smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1ccccc1)CCC2 ZINC000192933798 239945986 /nfs/dbraw/zinc/94/59/86/239945986.db2.gz URPQDAKOIVQYQH-VQIMIIECSA-N 1 0 326.396 3.338 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245990685 243178080 /nfs/dbraw/zinc/17/80/80/243178080.db2.gz IITXREHZIAVSSW-XJKSGUPXSA-N 1 0 334.420 3.097 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000134034798 223466885 /nfs/dbraw/zinc/46/68/85/223466885.db2.gz LAIMOVBZYSEBCR-UHFFFAOYSA-N 1 0 339.823 3.098 10 5 EGBERO CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090603144 203618558 /nfs/dbraw/zinc/61/85/58/203618558.db2.gz NJNKMSVRIKXMHE-VYDXJSESSA-N 1 0 348.447 3.218 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132837178 205343032 /nfs/dbraw/zinc/34/30/32/205343032.db2.gz HFQYYCDKLUXYFW-RDJZCZTQSA-N 1 0 333.432 3.083 10 5 EGBERO CCC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268864671 252313558 /nfs/dbraw/zinc/31/35/58/252313558.db2.gz CJIYEGWPMPEFGT-PGEKIEPBSA-N 1 0 333.432 3.330 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000344565541 141173791 /nfs/dbraw/zinc/17/37/91/141173791.db2.gz MMEFUHWPWFHGFV-AWEZNQCLSA-N 1 0 349.456 3.016 10 5 EGBERO Cc1ccnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000363798418 144367574 /nfs/dbraw/zinc/36/75/74/144367574.db2.gz XLAMPRDPYHFUQO-UHFFFAOYSA-N 1 0 326.400 3.381 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153655392 152548967 /nfs/dbraw/zinc/54/89/67/152548967.db2.gz TWRJOIXGBGNXNE-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194841579 153361198 /nfs/dbraw/zinc/36/11/98/153361198.db2.gz XAQTUNUQOPDHNN-UHFFFAOYSA-N 1 0 345.443 3.288 10 5 EGBERO C[C@H](CC[NH3+])Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000312941646 154152481 /nfs/dbraw/zinc/15/24/81/154152481.db2.gz GMSPACYAHAUPOS-MRVPVSSYSA-N 1 0 339.193 3.055 10 5 EGBERO CS[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000362009199 286708220 /nfs/dbraw/zinc/70/82/20/286708220.db2.gz AGSMCDGHFNHDQT-ZTFGCOKTSA-N 1 0 349.500 3.476 10 5 EGBERO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCOCC1 ZINC000093315096 162001259 /nfs/dbraw/zinc/00/12/59/162001259.db2.gz HYVYKYBYTNZGCY-UHFFFAOYSA-N 1 0 330.331 3.055 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344060621 164093775 /nfs/dbraw/zinc/09/37/75/164093775.db2.gz LVYIWBZKMNCSNE-CQSZACIVSA-N 1 0 347.415 3.220 10 5 EGBERO CCOC(=O)CC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000352406807 165385729 /nfs/dbraw/zinc/38/57/29/165385729.db2.gz NQHUGDQJIRRKCL-UHFFFAOYSA-N 1 0 342.342 3.229 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367389687 168219340 /nfs/dbraw/zinc/21/93/40/168219340.db2.gz WOMYRJNSAFZLKP-FUHWJXTLSA-N 1 0 329.375 3.269 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000183120177 275399968 /nfs/dbraw/zinc/39/99/68/275399968.db2.gz OEQVKTPVGRBGIF-IUYQLWOBSA-N 1 0 345.443 3.092 10 5 EGBERO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccc([N+](=O)[O-])cc2)N1O ZINC000004189835 275807885 /nfs/dbraw/zinc/80/78/85/275807885.db2.gz COLOYSFGMWRADU-INIZCTEOSA-N 1 0 327.340 3.076 10 5 EGBERO COCC[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180557386 292659130 /nfs/dbraw/zinc/65/91/30/292659130.db2.gz IGKMXODQWQLZJU-RTBURBONSA-N 1 0 344.411 3.061 10 5 EGBERO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293932067 308175122 /nfs/dbraw/zinc/17/51/22/308175122.db2.gz XXWCAFVISQDPCJ-CQSZACIVSA-N 1 0 340.427 3.497 10 5 EGBERO Cc1cc(NCC[NH2+]C(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301280019 308694692 /nfs/dbraw/zinc/69/46/92/308694692.db2.gz ZUBHYGSKGDXEHM-UHFFFAOYSA-N 1 0 329.404 3.160 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415689724 309141191 /nfs/dbraw/zinc/14/11/91/309141191.db2.gz DAAOYAAHGNJXNH-SFHVURJKSA-N 1 0 348.447 3.404 10 5 EGBERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000418234737 309240538 /nfs/dbraw/zinc/24/05/38/309240538.db2.gz QVOKJLHWVNELOJ-OLZOCXBDSA-N 1 0 342.399 3.175 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1CCOCC1 ZINC000449355458 310056308 /nfs/dbraw/zinc/05/63/08/310056308.db2.gz ZSTZTMWJIUMHCM-CQSZACIVSA-N 1 0 349.431 3.108 10 5 EGBERO CC(C)(C[NH+]1CCCC1)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452098041 310211914 /nfs/dbraw/zinc/21/19/14/310211914.db2.gz STCWPPMLRFRFNX-UHFFFAOYSA-N 1 0 344.415 3.214 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452109081 310212689 /nfs/dbraw/zinc/21/26/89/310212689.db2.gz XEVLXNXRIXODAH-UHFFFAOYSA-N 1 0 349.431 3.441 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000462939684 310607850 /nfs/dbraw/zinc/60/78/50/310607850.db2.gz MICSNWPIWGJKDV-SJORKVTESA-N 1 0 349.475 3.256 10 5 EGBERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000471151568 310734026 /nfs/dbraw/zinc/73/40/26/310734026.db2.gz NELIFDTXKGYQON-KBXCAEBGSA-N 1 0 336.432 3.141 10 5 EGBERO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485409967 310977142 /nfs/dbraw/zinc/97/71/42/310977142.db2.gz SCWCSWPRKCGQSJ-HNNXBMFYSA-N 1 0 344.390 3.326 10 5 EGBERO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCC1 ZINC000489847549 311122539 /nfs/dbraw/zinc/12/25/39/311122539.db2.gz OXAXSAFYTGHCPR-UHFFFAOYSA-N 1 0 325.796 3.451 10 5 EGBERO COc1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000492852991 311299075 /nfs/dbraw/zinc/29/90/75/311299075.db2.gz PTHSTGZVKIEMGC-VQIMIIECSA-N 1 0 342.395 3.471 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000501256884 311941504 /nfs/dbraw/zinc/94/15/04/311941504.db2.gz JEEUVNWSFFBOKQ-UHFFFAOYSA-N 1 0 347.459 3.487 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000537942238 314218142 /nfs/dbraw/zinc/21/81/42/314218142.db2.gz VCLNOPAFTIJCEZ-CYBMUJFWSA-N 1 0 326.400 3.464 10 5 EGBERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183225972 323602577 /nfs/dbraw/zinc/60/25/77/323602577.db2.gz DFPFGOGWVXPQAK-GOSISDBHSA-N 1 0 341.411 3.060 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000007587226 453090551 /nfs/dbraw/zinc/09/05/51/453090551.db2.gz MYWXLZRLDVHHSV-CJNGLKHVSA-N 1 0 347.415 3.197 10 5 EGBERO C[C@H]1C[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)C[NH2+]1 ZINC000600791783 460607764 /nfs/dbraw/zinc/60/77/64/460607764.db2.gz HKJRWSQKXXGTEE-SUMWQHHRSA-N 1 0 326.396 3.262 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038419306 453940647 /nfs/dbraw/zinc/94/06/47/453940647.db2.gz WDHJIGWXZAXIFG-MRXNPFEDSA-N 1 0 325.412 3.474 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076483976 454005938 /nfs/dbraw/zinc/00/59/38/454005938.db2.gz JIBMCQITKGOEJH-ABAIWWIYSA-N 1 0 339.823 3.051 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068255504 454011752 /nfs/dbraw/zinc/01/17/52/454011752.db2.gz WGFWXHHRWVWDJL-CYBMUJFWSA-N 1 0 332.429 3.325 10 5 EGBERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538504 454318294 /nfs/dbraw/zinc/31/82/94/454318294.db2.gz BMXXJLWTEAYWJP-NEPJUHHUSA-N 1 0 345.428 3.183 10 5 EGBERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120661370 454332166 /nfs/dbraw/zinc/33/21/66/454332166.db2.gz RZOISLLEHDIHTK-CQSZACIVSA-N 1 0 343.383 3.085 10 5 EGBERO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000120986550 454373734 /nfs/dbraw/zinc/37/37/34/454373734.db2.gz LRIXPKVNFYTEIE-KOEDOTQGSA-N 1 0 347.459 3.041 10 5 EGBERO CCC[NH+]1CCC(CNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000092630131 454596583 /nfs/dbraw/zinc/59/65/83/454596583.db2.gz BGNCMILJMIKIIT-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128659732 455075754 /nfs/dbraw/zinc/07/57/54/455075754.db2.gz GCPCRYBLBVDGKF-OAHLLOKOSA-N 1 0 347.346 3.493 10 5 EGBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000156198092 455091693 /nfs/dbraw/zinc/09/16/93/455091693.db2.gz JBHFRJNXRUUTKF-AWEZNQCLSA-N 1 0 330.384 3.242 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000171967690 455104507 /nfs/dbraw/zinc/10/45/07/455104507.db2.gz CLWHOOYYQBPNAD-RISCZKNCSA-N 1 0 331.397 3.112 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000129581544 455117117 /nfs/dbraw/zinc/11/71/17/455117117.db2.gz OHIRZWNELWJVQE-OAHLLOKOSA-N 1 0 348.447 3.454 10 5 EGBERO CC(C)Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000181404964 455329657 /nfs/dbraw/zinc/32/96/57/455329657.db2.gz SQVDYTNDIKLMHJ-OAHLLOKOSA-N 1 0 343.427 3.306 10 5 EGBERO Cc1csc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246238109 455455307 /nfs/dbraw/zinc/45/53/07/455455307.db2.gz HHDTTZJHYVIXJN-GOEBONIOSA-N 1 0 347.440 3.273 10 5 EGBERO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000160901592 455511238 /nfs/dbraw/zinc/51/12/38/455511238.db2.gz UGRCTGCOZGVCSJ-UHFFFAOYSA-N 1 0 343.309 3.115 10 5 EGBERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246932661 455536061 /nfs/dbraw/zinc/53/60/61/455536061.db2.gz HDQKPHUPFYOUOD-WMLDXEAASA-N 1 0 348.447 3.077 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247200842 455572672 /nfs/dbraw/zinc/57/26/72/455572672.db2.gz OZMHSMRKUCHEEV-YOEHRIQHSA-N 1 0 341.415 3.047 10 5 EGBERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248082554 455678594 /nfs/dbraw/zinc/67/85/94/455678594.db2.gz SAZHFAFTOFTTFD-WMZOPIPTSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000278355296 455827366 /nfs/dbraw/zinc/82/73/66/455827366.db2.gz PDJONHGDZBFRPH-ZDUSSCGKSA-N 1 0 339.823 3.113 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187268870 455889540 /nfs/dbraw/zinc/88/95/40/455889540.db2.gz OFKGBYQBBLMFCW-RDTXWAMCSA-N 1 0 341.411 3.324 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1C[NH+]1CCCC1 ZINC000601101052 460709844 /nfs/dbraw/zinc/70/98/44/460709844.db2.gz KVMWMNVSSQJGLT-UHFFFAOYSA-N 1 0 330.363 3.337 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280985892 456100689 /nfs/dbraw/zinc/10/06/89/456100689.db2.gz LLJAZCOPFUPPRX-KDOFPFPSSA-N 1 0 327.384 3.342 10 5 EGBERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000236616718 456160072 /nfs/dbraw/zinc/16/00/72/456160072.db2.gz JQFZZIDQEAGFPQ-MRXNPFEDSA-N 1 0 346.374 3.473 10 5 EGBERO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769468 456290052 /nfs/dbraw/zinc/29/00/52/456290052.db2.gz MQXWJKGDQQAJDC-QGZVFWFLSA-N 1 0 344.411 3.377 10 5 EGBERO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000302116847 456291704 /nfs/dbraw/zinc/29/17/04/456291704.db2.gz CITBBCYZXSJYLA-YESZJQIVSA-N 1 0 338.411 3.312 10 5 EGBERO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783299 456302472 /nfs/dbraw/zinc/30/24/72/456302472.db2.gz JESIROPQXCHWLJ-RDJZCZTQSA-N 1 0 345.443 3.052 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921934 456315558 /nfs/dbraw/zinc/31/55/58/456315558.db2.gz TURUEJFOVHJARS-BETUJISGSA-N 1 0 344.415 3.069 10 5 EGBERO CSc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148657 460732537 /nfs/dbraw/zinc/73/25/37/460732537.db2.gz GKMSKKYEXXLUAR-OAHLLOKOSA-N 1 0 338.454 3.376 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000276540794 456511234 /nfs/dbraw/zinc/51/12/34/456511234.db2.gz GBYAZZZDIUCPOW-NSHDSACASA-N 1 0 339.823 3.018 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310076916 456580161 /nfs/dbraw/zinc/58/01/61/456580161.db2.gz GXNLKFLZXPIPDB-MRXNPFEDSA-N 1 0 326.400 3.314 10 5 EGBERO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000326741595 456699315 /nfs/dbraw/zinc/69/93/15/456699315.db2.gz VANWISBXCQXEFP-BFYDXBDKSA-N 1 0 334.416 3.119 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000299624811 456747643 /nfs/dbraw/zinc/74/76/43/456747643.db2.gz KQOMVDJPHVBOFM-OAHLLOKOSA-N 1 0 333.432 3.288 10 5 EGBERO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301221462 456824987 /nfs/dbraw/zinc/82/49/87/456824987.db2.gz CADYUKLWVYKPQE-MRXNPFEDSA-N 1 0 341.415 3.112 10 5 EGBERO CO[C@@H](C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353789637 456906920 /nfs/dbraw/zinc/90/69/20/456906920.db2.gz CYHCVMLNNVQLRE-NSHDSACASA-N 1 0 332.347 3.442 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345911019 457005860 /nfs/dbraw/zinc/00/58/60/457005860.db2.gz PVMJZIODTSTUJP-UHFFFAOYSA-N 1 0 348.447 3.025 10 5 EGBERO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354085192 457051604 /nfs/dbraw/zinc/05/16/04/457051604.db2.gz HBECPOZNNUYXIB-GFCCVEGCSA-N 1 0 340.221 3.030 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357000898 457267252 /nfs/dbraw/zinc/26/72/52/457267252.db2.gz NKZRNLFPVHCWJM-UHFFFAOYSA-N 1 0 331.416 3.003 10 5 EGBERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCC2 ZINC000352526294 457440445 /nfs/dbraw/zinc/44/04/45/457440445.db2.gz MEHVHYOJNGLVBX-DLBZAZTESA-N 1 0 334.416 3.383 10 5 EGBERO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000358285944 457911390 /nfs/dbraw/zinc/91/13/90/457911390.db2.gz KADMXZMLHUXABH-XJKSGUPXSA-N 1 0 328.368 3.476 10 5 EGBERO CC[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000458489564 458067690 /nfs/dbraw/zinc/06/76/90/458067690.db2.gz DXCXZDBZZUEEGT-MRXNPFEDSA-N 1 0 348.447 3.220 10 5 EGBERO CC[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493395 458069243 /nfs/dbraw/zinc/06/92/43/458069243.db2.gz GSCICTIWNKUSCG-RHSMWYFYSA-N 1 0 348.447 3.077 10 5 EGBERO C[NH+](C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000434944444 458069375 /nfs/dbraw/zinc/06/93/75/458069375.db2.gz WMVUHRTUSJNMAY-UHFFFAOYSA-N 1 0 346.818 3.154 10 5 EGBERO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526869 458081924 /nfs/dbraw/zinc/08/19/24/458081924.db2.gz YIQKDHZYMRZNAH-DLBZAZTESA-N 1 0 348.447 3.170 10 5 EGBERO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC000372350705 458285157 /nfs/dbraw/zinc/28/51/57/458285157.db2.gz SGFROSZLYFTLQH-LLVKDONJSA-N 1 0 349.822 3.417 10 5 EGBERO CC(C)Oc1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000566477515 458945563 /nfs/dbraw/zinc/94/55/63/458945563.db2.gz DQCZWKVMDWWRCH-HNNXBMFYSA-N 1 0 348.447 3.232 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594510017 459068060 /nfs/dbraw/zinc/06/80/60/459068060.db2.gz MVJYYYHNHWHACR-TTZDDIAXSA-N 1 0 335.448 3.052 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511160 459070019 /nfs/dbraw/zinc/07/00/19/459070019.db2.gz PPCQXVSNLBGXPA-PRHIBIOJSA-N 1 0 347.459 3.085 10 5 EGBERO Cc1cc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134848 459091702 /nfs/dbraw/zinc/09/17/02/459091702.db2.gz CQMSHEWGUJRUSB-UHFFFAOYSA-N 1 0 331.338 3.452 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602818 459159433 /nfs/dbraw/zinc/15/94/33/459159433.db2.gz YFJWXBDFCCLEEM-HNNXBMFYSA-N 1 0 327.384 3.248 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000594981789 459203572 /nfs/dbraw/zinc/20/35/72/459203572.db2.gz YXGURWCVQJMXBE-ZZQVFJBOSA-N 1 0 340.427 3.343 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C34CCC4)o2)cc1 ZINC000594985841 459205433 /nfs/dbraw/zinc/20/54/33/459205433.db2.gz ASXYFZVNHOXUSB-IRXDYDNUSA-N 1 0 328.368 3.248 10 5 EGBERO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(F)CC1 ZINC000594990249 459206098 /nfs/dbraw/zinc/20/60/98/459206098.db2.gz PAYCKICAPAYJJX-XIKARTHZSA-N 1 0 338.379 3.468 10 5 EGBERO C[C@H]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000594987039 459207343 /nfs/dbraw/zinc/20/73/43/459207343.db2.gz VOYQBTFGCFXFJZ-GUYCJALGSA-N 1 0 344.415 3.043 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000595074173 459237552 /nfs/dbraw/zinc/23/75/52/459237552.db2.gz UTIAHRCJRUGPKV-BBRMVZONSA-N 1 0 339.395 3.142 10 5 EGBERO CO[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000595329875 459278325 /nfs/dbraw/zinc/27/83/25/459278325.db2.gz CXEFGNFEEOEKCR-GOSISDBHSA-N 1 0 334.416 3.253 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000595477454 459316493 /nfs/dbraw/zinc/31/64/93/459316493.db2.gz SZFQQWMODPCUBF-WMZOPIPTSA-N 1 0 329.375 3.269 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549594 459343244 /nfs/dbraw/zinc/34/32/44/459343244.db2.gz UHSUIMXKXRVECR-DZGCQCFKSA-N 1 0 348.447 3.136 10 5 EGBERO C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000560546067 459371330 /nfs/dbraw/zinc/37/13/30/459371330.db2.gz PRZTYWNBYMLHDQ-QYZOEREBSA-N 1 0 331.460 3.380 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)C(C)(C)CC)c([N+](=O)[O-])c1 ZINC000595638558 459379341 /nfs/dbraw/zinc/37/93/41/459379341.db2.gz IICULIDDBAJIEU-LBPRGKRZSA-N 1 0 337.420 3.346 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](CCF)C3)n2)cc1 ZINC000595755774 459427773 /nfs/dbraw/zinc/42/77/73/459427773.db2.gz QCLBAPIVVCMXTF-GFCCVEGCSA-N 1 0 334.351 3.216 10 5 EGBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000595770884 459433602 /nfs/dbraw/zinc/43/36/02/459433602.db2.gz OHCRRTXSWHFPHB-CZUORRHYSA-N 1 0 348.834 3.483 10 5 EGBERO COc1cc(C[N@H+](C)CCOc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000485717090 459466581 /nfs/dbraw/zinc/46/65/81/459466581.db2.gz NTPVESOGSJDUKB-UHFFFAOYSA-N 1 0 330.384 3.423 10 5 EGBERO COc1cc(CC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)cc(OC)c1 ZINC000486475451 459503629 /nfs/dbraw/zinc/50/36/29/459503629.db2.gz BXHLPSRDVKDOBA-UHFFFAOYSA-N 1 0 342.395 3.287 10 5 EGBERO O=c1[nH]ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596092794 459517193 /nfs/dbraw/zinc/51/71/93/459517193.db2.gz NLFOZQQJCARIHB-OAHLLOKOSA-N 1 0 342.399 3.162 10 5 EGBERO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000596315049 459593793 /nfs/dbraw/zinc/59/37/93/459593793.db2.gz VVBQPOFMASAAAH-UHFFFAOYSA-N 1 0 337.395 3.037 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1[N+](=O)[O-] ZINC000592516967 459621987 /nfs/dbraw/zinc/62/19/87/459621987.db2.gz LVPFKOACHQIUBT-HNNXBMFYSA-N 1 0 341.415 3.195 10 5 EGBERO Cc1ccc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)[nH]c2c1 ZINC000597118929 459842895 /nfs/dbraw/zinc/84/28/95/459842895.db2.gz OUXRRVSBFCZVBG-UHFFFAOYSA-N 1 0 339.399 3.418 10 5 EGBERO CC(C)[NH+]1CCC(N(C)c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456096 459894634 /nfs/dbraw/zinc/89/46/34/459894634.db2.gz AEQWIZUSOLCPFL-UHFFFAOYSA-N 1 0 328.416 3.452 10 5 EGBERO Cc1cccc2ncc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)n21 ZINC000588933627 460007407 /nfs/dbraw/zinc/00/74/07/460007407.db2.gz KODBWIJYEGUBPO-UHFFFAOYSA-N 1 0 349.394 3.365 10 5 EGBERO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC1CC1 ZINC000598956140 460102668 /nfs/dbraw/zinc/10/26/68/460102668.db2.gz XVUIFHNPQFISDJ-UHFFFAOYSA-N 1 0 328.368 3.434 10 5 EGBERO Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000599020879 460130134 /nfs/dbraw/zinc/13/01/34/460130134.db2.gz QGLCXDPMQQKEMQ-ZBFHGGJFSA-N 1 0 346.387 3.029 10 5 EGBERO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599056766 460144426 /nfs/dbraw/zinc/14/44/26/460144426.db2.gz NMKUZNKMALLSBM-MFKMUULPSA-N 1 0 328.294 3.246 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cccc1[N+](=O)[O-] ZINC000599073450 460152671 /nfs/dbraw/zinc/15/26/71/460152671.db2.gz DOUJIPPGPWQZHZ-FZKQIMNGSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000610830950 460245391 /nfs/dbraw/zinc/24/53/91/460245391.db2.gz MNEJSHCCHPGVFA-KGLIPLIRSA-N 1 0 342.399 3.100 10 5 EGBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599626498 460291155 /nfs/dbraw/zinc/29/11/55/460291155.db2.gz XAKDJYVFHGLTMM-QOBXEIRBSA-N 1 0 343.221 3.259 10 5 EGBERO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000611402655 460356200 /nfs/dbraw/zinc/35/62/00/460356200.db2.gz HWCUFTPLQUJECU-UHFFFAOYSA-N 1 0 332.356 3.308 10 5 EGBERO COc1cc(C[NH+]2CCC(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000611516728 460383916 /nfs/dbraw/zinc/38/39/16/460383916.db2.gz HJQMSUQMCIZJTR-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623342 460417510 /nfs/dbraw/zinc/41/75/10/460417510.db2.gz ZAAQCPSCRFPNCA-SCLBCKFNSA-N 1 0 332.400 3.378 10 5 EGBERO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227339 460449956 /nfs/dbraw/zinc/44/99/56/460449956.db2.gz APCOCPKAWVJYSM-HNNXBMFYSA-N 1 0 331.416 3.040 10 5 EGBERO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229938 460450706 /nfs/dbraw/zinc/45/07/06/460450706.db2.gz YFEXKZPHWXAVFB-INIZCTEOSA-N 1 0 331.416 3.040 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000601217197 460754503 /nfs/dbraw/zinc/75/45/03/460754503.db2.gz DAGMNMWUFYXPNP-UHFFFAOYSA-N 1 0 333.432 3.448 10 5 EGBERO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000601614648 460846970 /nfs/dbraw/zinc/84/69/70/460846970.db2.gz ZFTRXVRKQBZGON-RYQLBKOJSA-N 1 0 345.443 3.031 10 5 EGBERO COC(=O)/C=C\c1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000729469348 574863487 /nfs/dbraw/zinc/86/34/87/574863487.db2.gz FPNFDTYKHRRRLE-NTMALXAHSA-N 1 0 347.415 3.067 10 5 EGBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000870549243 1295936650 /nfs/dbraw/zinc/93/66/50/1295936650.db2.gz YLHGRIMFPPHGJN-CQSZACIVSA-N 1 0 343.383 3.154 10 5 EGBERO COc1c(C(=O)O[C@H](C)C[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000870785514 1296077706 /nfs/dbraw/zinc/07/77/06/1296077706.db2.gz PKUZKDDBLKOWME-CHWSQXEVSA-N 1 0 336.388 3.023 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000872049284 1296699866 /nfs/dbraw/zinc/69/98/66/1296699866.db2.gz SDLNIIVAVRPBNF-NNOLRYQLSA-N 1 0 330.475 3.124 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H](O)C(F)F ZINC000872075899 1296721717 /nfs/dbraw/zinc/72/17/17/1296721717.db2.gz VMPBESURXVSDBP-LJUAHTATSA-N 1 0 334.388 3.372 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872274564 1296878502 /nfs/dbraw/zinc/87/85/02/1296878502.db2.gz BFXFZTUEOZXYFV-MRXNPFEDSA-N 1 0 334.416 3.397 10 5 EGBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000893028246 1305667718 /nfs/dbraw/zinc/66/77/18/1305667718.db2.gz ZQSCBFNBTQUXBH-GXTWGEPZSA-N 1 0 337.395 3.069 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000857678104 1328582341 /nfs/dbraw/zinc/58/23/41/1328582341.db2.gz ZWWZKUMAESGVHC-UHFFFAOYSA-N 1 0 341.839 3.407 10 5 EGBERO CCc1ccc(C(=O)N2CCC(CC)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000899560585 1317091070 /nfs/dbraw/zinc/09/10/70/1317091070.db2.gz RVVTTXXSZFNNCP-UHFFFAOYSA-N 1 0 345.443 3.248 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930353055 1328839851 /nfs/dbraw/zinc/83/98/51/1328839851.db2.gz FMGAWARORHBYOC-UONOGXRCSA-N 1 0 332.322 3.179 10 5 EGBERO C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859004512 1328905870 /nfs/dbraw/zinc/90/58/70/1328905870.db2.gz RZHAUAOEWBKUQH-UHFFFAOYSA-N 1 0 341.411 3.210 10 5 EGBERO COC/C(C)=C/C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930810760 1328977547 /nfs/dbraw/zinc/97/75/47/1328977547.db2.gz SILODRGDIWVXGW-RWVMKSIOSA-N 1 0 348.443 3.293 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000859561987 1329017797 /nfs/dbraw/zinc/01/77/97/1329017797.db2.gz OZZHIXXZTPYZBT-AAEUAGOBSA-N 1 0 339.823 3.051 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000922534211 1322551280 /nfs/dbraw/zinc/55/12/80/1322551280.db2.gz HYIJBHGOBNSWIP-IRJFHVNHSA-N 1 0 340.423 3.394 10 5 EGBERO Cc1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922678490 1322586944 /nfs/dbraw/zinc/58/69/44/1322586944.db2.gz KRBQNYIRAWYOPT-GXTWGEPZSA-N 1 0 332.322 3.493 10 5 EGBERO COc1ccc(C(C)(C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000859644717 1329044121 /nfs/dbraw/zinc/04/41/21/1329044121.db2.gz PUXAXGOOKVFNAZ-INIZCTEOSA-N 1 0 348.374 3.301 10 5 EGBERO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000925640484 1325243762 /nfs/dbraw/zinc/24/37/62/1325243762.db2.gz IDBDNQXJJRCIFA-APWZRJJASA-N 1 0 342.443 3.180 10 5 EGBERO CC1(C)C[C@@H](NC[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778500 1325297632 /nfs/dbraw/zinc/29/76/32/1325297632.db2.gz SNUSZNNLLSGXSO-IAQYHMDHSA-N 1 0 339.386 3.152 10 5 EGBERO Cc1ccc(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000926797191 1327721930 /nfs/dbraw/zinc/72/19/30/1327721930.db2.gz RCQADFBJVRXEKN-UHFFFAOYSA-N 1 0 349.431 3.296 10 5 EGBERO C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926906053 1327768737 /nfs/dbraw/zinc/76/87/37/1327768737.db2.gz SFPZQEUOHGAMCZ-PXWWUCIGSA-N 1 0 347.337 3.328 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927030355 1327825446 /nfs/dbraw/zinc/82/54/46/1327825446.db2.gz HYZDDEJMHQPBEH-DYEKYZERSA-N 1 0 337.445 3.186 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927163750 1327902071 /nfs/dbraw/zinc/90/20/71/1327902071.db2.gz NZPXUBLDZFMYCY-XJKSGUPXSA-N 1 0 347.415 3.003 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000928011429 1328170753 /nfs/dbraw/zinc/17/07/53/1328170753.db2.gz RJPGIJDQJLSBQU-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863568587 1329563730 /nfs/dbraw/zinc/56/37/30/1329563730.db2.gz LPRICFKAAPXIBL-BZSNNMDCSA-N 1 0 326.396 3.410 10 5 EGBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865504713 1329706426 /nfs/dbraw/zinc/70/64/26/1329706426.db2.gz WTCHIFOIDMHROP-LBPRGKRZSA-N 1 0 329.347 3.055 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000933387421 1329885421 /nfs/dbraw/zinc/88/54/21/1329885421.db2.gz RCWFEDWHRFYQBV-XHDPSFHLSA-N 1 0 342.317 3.415 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000866393114 1330106025 /nfs/dbraw/zinc/10/60/25/1330106025.db2.gz MTOCVPFLDDKOMV-GFCCVEGCSA-N 1 0 346.406 3.456 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866532701 1330122861 /nfs/dbraw/zinc/12/28/61/1330122861.db2.gz XYHFRQFDBGEWJC-HIFRSBDPSA-N 1 0 336.407 3.461 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000866563719 1330127297 /nfs/dbraw/zinc/12/72/97/1330127297.db2.gz OIWSQBKKFFZUQB-BFUOFWGJSA-N 1 0 343.402 3.441 10 5 EGBERO COc1ccc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000867991056 1330237683 /nfs/dbraw/zinc/23/76/83/1330237683.db2.gz JUTWHKPYKUFGSV-MRXNPFEDSA-N 1 0 341.367 3.042 10 5 EGBERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000869896653 1330585652 /nfs/dbraw/zinc/58/56/52/1330585652.db2.gz GFVDSDHJQUNKIM-CQSZACIVSA-N 1 0 344.342 3.165 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC001340052347 1390215974 /nfs/dbraw/zinc/21/59/74/1390215974.db2.gz QVFZFXGPEPGDDZ-SNVBAGLBSA-N 1 0 345.241 3.285 10 5 EGBERO Cc1ccc(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001194143453 1368191278 /nfs/dbraw/zinc/19/12/78/1368191278.db2.gz QBSGSJYJUJXQNL-LJQANCHMSA-N 1 0 339.439 3.262 10 5 EGBERO CC(C)[N@H+](C)C[C@@H](C)Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186380442 1387931502 /nfs/dbraw/zinc/93/15/02/1387931502.db2.gz DDBZDMOOQOTHAC-LLVKDONJSA-N 1 0 336.823 3.359 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001117627051 1371056906 /nfs/dbraw/zinc/05/69/06/1371056906.db2.gz WJZFMVRHQAJZLK-SJLPKXTDSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1C ZINC001126676920 1372997141 /nfs/dbraw/zinc/99/71/41/1372997141.db2.gz ZGYILPXHBMGFMG-INIZCTEOSA-N 1 0 345.443 3.206 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001136732735 1377418761 /nfs/dbraw/zinc/41/87/61/1377418761.db2.gz DXOKLIVYIJIJAT-KBAYOESNSA-N 1 0 345.443 3.079 10 5 EGBERO CC[C@@H](NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001151125364 1379664026 /nfs/dbraw/zinc/66/40/26/1379664026.db2.gz NQKXSWDTKFPOFQ-YQQAZPJKSA-N 1 0 333.432 3.283 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC001168838700 1384028001 /nfs/dbraw/zinc/02/80/01/1384028001.db2.gz QCAVBRFWQZVZRX-CABCVRRESA-N 1 0 335.448 3.297 10 5 EGBERO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778538 1384030299 /nfs/dbraw/zinc/03/02/99/1384030299.db2.gz GBJMMNYQIHBTKZ-YSVLISHTSA-N 1 0 334.416 3.362 10 5 EGBERO C/C=C\C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001307973853 1384066730 /nfs/dbraw/zinc/06/67/30/1384066730.db2.gz JNFBSZWYPILHOU-GWQWAINWSA-N 1 0 343.427 3.162 10 5 EGBERO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC001170117290 1384238770 /nfs/dbraw/zinc/23/87/70/1384238770.db2.gz JYHWGAHHANYCQM-MOPGFXCFSA-N 1 0 328.412 3.485 10 5 EGBERO CCc1occc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001316821598 1384616443 /nfs/dbraw/zinc/61/64/43/1384616443.db2.gz PZNPPHJINGBFIC-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO CCc1occc1C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001316822372 1384617280 /nfs/dbraw/zinc/61/72/80/1384617280.db2.gz ZDESECGFXAFORI-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(F)c1 ZINC001174993791 1385180232 /nfs/dbraw/zinc/18/02/32/1385180232.db2.gz NLCUOYIEPNJCGH-ROUUACIJSA-N 1 0 341.386 3.193 10 5 EGBERO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001176037811 1385468593 /nfs/dbraw/zinc/46/85/93/1385468593.db2.gz XXFWPDQVXUDJSC-LBPRGKRZSA-N 1 0 341.367 3.087 10 5 EGBERO CCCC(=O)NCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001319009358 1385923366 /nfs/dbraw/zinc/92/33/66/1385923366.db2.gz WFWQRFQFPOAVIP-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001347472853 1391080597 /nfs/dbraw/zinc/08/05/97/1391080597.db2.gz FWIYIKHOKPIXMU-UHFFFAOYSA-N 1 0 334.420 3.288 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001481356603 1393178106 /nfs/dbraw/zinc/17/81/06/1393178106.db2.gz GCKITWCNASHVEZ-UHFFFAOYSA-N 1 0 341.477 3.419 10 5 EGBERO C/C=C(\C)C(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001490371158 1394202706 /nfs/dbraw/zinc/20/27/06/1394202706.db2.gz SFUZMSZWWLIKBF-LZWSPWQCSA-N 1 0 331.416 3.032 10 5 EGBERO CCCN(C(=O)CC)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001490608253 1394280907 /nfs/dbraw/zinc/28/09/07/1394280907.db2.gz GACOEENXORINOP-UHFFFAOYSA-N 1 0 333.432 3.208 10 5 EGBERO CCCC1(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001493663990 1396340959 /nfs/dbraw/zinc/34/09/59/1396340959.db2.gz LRDRUHKPBPYWDL-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001689917338 1404208642 /nfs/dbraw/zinc/20/86/42/1404208642.db2.gz PJQHZCJRRVECHX-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO Cc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001690945292 1404851887 /nfs/dbraw/zinc/85/18/87/1404851887.db2.gz PBTZQYYVGZOIIT-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO CCC[N@H+](CCNC(=O)C1CC2(CC2)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691191227 1405130759 /nfs/dbraw/zinc/13/07/59/1405130759.db2.gz UVLZASXOKLFGAV-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001691520400 1405317966 /nfs/dbraw/zinc/31/79/66/1405317966.db2.gz JHZJHKDGHHBXNA-KOMQPUFPSA-N 1 0 345.443 3.160 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1 ZINC001691567328 1405341570 /nfs/dbraw/zinc/34/15/70/1405341570.db2.gz QEAXCQYVMDZVTF-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Cl)c1 ZINC001691567445 1405341711 /nfs/dbraw/zinc/34/17/11/1405341711.db2.gz RKIOWINVIOMFQK-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)C1CC=CC1 ZINC001732227175 1428475357 /nfs/dbraw/zinc/47/53/57/1428475357.db2.gz OYEUCFQYKMYXQO-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC=CCC1 ZINC001699670474 1413059783 /nfs/dbraw/zinc/05/97/83/1413059783.db2.gz KANXUJDENSTXQT-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO Cc1cscc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001712940455 1417502422 /nfs/dbraw/zinc/50/24/22/1417502422.db2.gz FCMMAYQYKZFSFF-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC[N@H+](CCCNC(=O)C1(C)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713020176 1417572315 /nfs/dbraw/zinc/57/23/15/1417572315.db2.gz DVXGVCRUASWYPI-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccoc1 ZINC001715295866 1420002691 /nfs/dbraw/zinc/00/26/91/1420002691.db2.gz LNYJUHSUVRVFAF-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO CC/C(C)=C\C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001715300086 1420007693 /nfs/dbraw/zinc/00/76/93/1420007693.db2.gz LLMKAKZKSDLJPX-PTNGSMBKSA-N 1 0 345.443 3.470 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CCC1 ZINC001715794267 1420346225 /nfs/dbraw/zinc/34/62/25/1420346225.db2.gz SRMMBUVZPLPPKX-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001715853579 1420368077 /nfs/dbraw/zinc/36/80/77/1420368077.db2.gz WOJOVTNYEBHUSN-ARJAWSKDSA-N 1 0 345.443 3.183 10 5 EGBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001716325473 1420605404 /nfs/dbraw/zinc/60/54/04/1420605404.db2.gz AOMMBHHIVIEMDG-WAYWQWQTSA-N 1 0 345.443 3.183 10 5 EGBERO CCC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC001716697439 1420850491 /nfs/dbraw/zinc/85/04/91/1420850491.db2.gz SCKMLVSBHKODSE-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C1CC1 ZINC001717210151 1421183131 /nfs/dbraw/zinc/18/31/31/1421183131.db2.gz AFUQMFDPPGURTR-UHFFFAOYSA-N 1 0 347.459 3.311 10 5 EGBERO CCCCC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001717295397 1421239969 /nfs/dbraw/zinc/23/99/69/1421239969.db2.gz VNNCEFVXAIVUOU-UHFFFAOYSA-N 1 0 333.432 3.256 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCCC1 ZINC001724838660 1425187271 /nfs/dbraw/zinc/18/72/71/1425187271.db2.gz GLQUOHCLAZUJSS-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO C/C=C(/C)C(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001731330979 1427270027 /nfs/dbraw/zinc/27/00/27/1427270027.db2.gz ODKLHTNVKWFUNH-BNNQUZSASA-N 1 0 331.416 3.032 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000183317822 235005232 /nfs/dbraw/zinc/00/52/32/235005232.db2.gz XDUMRYCWOJMTMT-HNNXBMFYSA-N 1 0 326.400 3.232 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000362659844 283060843 /nfs/dbraw/zinc/06/08/43/283060843.db2.gz XYZQDYGZMNWOTG-WBVHZDCISA-N 1 0 337.383 3.328 10 5 EGBERO CCC[C@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160405 202318286 /nfs/dbraw/zinc/31/82/86/202318286.db2.gz UIJZZNZPDFGOHM-GJZGRUSLSA-N 1 0 348.403 3.093 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106213192 204187287 /nfs/dbraw/zinc/18/72/87/204187287.db2.gz OZZUFTPIZPMEDN-KRWDZBQOSA-N 1 0 328.416 3.233 10 5 EGBERO Cc1sc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000110439977 204312347 /nfs/dbraw/zinc/31/23/47/204312347.db2.gz IGXHWZYJWIXEAK-UHFFFAOYSA-N 1 0 339.461 3.351 10 5 EGBERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000159795446 206264457 /nfs/dbraw/zinc/26/44/57/206264457.db2.gz LWSPRPXGGRRRJW-VIFPVBQESA-N 1 0 328.294 3.198 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162796978 206421251 /nfs/dbraw/zinc/42/12/51/206421251.db2.gz CHSGNESOFMXMTB-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO CC[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176707647 207251546 /nfs/dbraw/zinc/25/15/46/207251546.db2.gz YUPCVAGZNSGIDB-WMLDXEAASA-N 1 0 348.447 3.029 10 5 EGBERO COc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000344780977 144223412 /nfs/dbraw/zinc/22/34/12/144223412.db2.gz ZJUNLHWIMXJADL-NSHDSACASA-N 1 0 330.331 3.280 10 5 EGBERO Cc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000121769928 152371206 /nfs/dbraw/zinc/37/12/06/152371206.db2.gz NNKGIOGCZNNSSI-UHFFFAOYSA-N 1 0 328.416 3.091 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341063796 155131508 /nfs/dbraw/zinc/13/15/08/155131508.db2.gz FGMZQLBSYZXCOQ-CHWSQXEVSA-N 1 0 344.415 3.069 10 5 EGBERO C[C@H](O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000130405542 162366953 /nfs/dbraw/zinc/36/69/53/162366953.db2.gz DYFMLHWGRBERLR-ZDUSSCGKSA-N 1 0 330.384 3.448 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248575379 163016270 /nfs/dbraw/zinc/01/62/70/163016270.db2.gz PADARYAXXCDVTK-BBRMVZONSA-N 1 0 334.420 3.097 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000248971639 163048195 /nfs/dbraw/zinc/04/81/95/163048195.db2.gz GSECBIWNQDLWFP-KBRIMQKVSA-N 1 0 334.416 3.220 10 5 EGBERO NC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000354931366 166066481 /nfs/dbraw/zinc/06/64/81/166066481.db2.gz NXFIUGGMTVCEAW-UHFFFAOYSA-N 1 0 345.424 3.211 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000355457787 166206179 /nfs/dbraw/zinc/20/61/79/166206179.db2.gz IHABWFRELLAQON-INIZCTEOSA-N 1 0 345.443 3.350 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000355587649 166252027 /nfs/dbraw/zinc/25/20/27/166252027.db2.gz QRGPKSNLYYWNTO-UHFFFAOYSA-N 1 0 339.355 3.077 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000359079866 167060615 /nfs/dbraw/zinc/06/06/15/167060615.db2.gz CHCXMPTZIGXCJK-UHFFFAOYSA-N 1 0 341.415 3.078 10 5 EGBERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000359555633 167191906 /nfs/dbraw/zinc/19/19/06/167191906.db2.gz KVGZKWNVLNFZLB-XJKSGUPXSA-N 1 0 345.399 3.355 10 5 EGBERO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000366596998 287210870 /nfs/dbraw/zinc/21/08/70/287210870.db2.gz UAFUMCIIGOTQMO-KYJSFNMBSA-N 1 0 334.416 3.234 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000160223758 225365135 /nfs/dbraw/zinc/36/51/35/225365135.db2.gz RKEOFOFVWDBCOZ-KDOFPFPSSA-N 1 0 341.411 3.020 10 5 EGBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264663629 274998928 /nfs/dbraw/zinc/99/89/28/274998928.db2.gz ZAYBCDNKYRRDGK-MRXNPFEDSA-N 1 0 332.404 3.077 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000292024891 276722543 /nfs/dbraw/zinc/72/25/43/276722543.db2.gz TWJKEUUGEWPASZ-AWEZNQCLSA-N 1 0 326.400 3.208 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000178353163 304807676 /nfs/dbraw/zinc/80/76/76/304807676.db2.gz NLJCRGRFNZFEHS-NLWGTHIKSA-N 1 0 338.407 3.164 10 5 EGBERO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294049664 308185890 /nfs/dbraw/zinc/18/58/90/308185890.db2.gz GNWWRNGZFPBJHX-SECBINFHSA-N 1 0 338.314 3.024 10 5 EGBERO CC1(C)OCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294837249 308262530 /nfs/dbraw/zinc/26/25/30/308262530.db2.gz QPLHSHNNIPGVTM-CQSZACIVSA-N 1 0 333.413 3.375 10 5 EGBERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313846 309201325 /nfs/dbraw/zinc/20/13/25/309201325.db2.gz QEMYZNWYHRNLOS-HKUYNNGSSA-N 1 0 347.459 3.063 10 5 EGBERO CC[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421378481 309321660 /nfs/dbraw/zinc/32/16/60/309321660.db2.gz IGBPFCJUEISZPM-DOTOQJQBSA-N 1 0 344.415 3.043 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000421486235 309326772 /nfs/dbraw/zinc/32/67/72/309326772.db2.gz WZHLOVFMIXJUSD-GDBMZVCRSA-N 1 0 333.432 3.014 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+](C2CCCC2)CC1 ZINC000488123394 311052100 /nfs/dbraw/zinc/05/21/00/311052100.db2.gz IPWWXYOSQALZCX-UHFFFAOYSA-N 1 0 340.427 3.384 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000540706748 314398068 /nfs/dbraw/zinc/39/80/68/314398068.db2.gz GYDURWPDDIUGNQ-ZFWWWQNUSA-N 1 0 328.368 3.394 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H](O)CC3CCCC3)c2c1 ZINC000564868914 316222565 /nfs/dbraw/zinc/22/25/65/316222565.db2.gz KNOFRYXHCCNNQB-INIZCTEOSA-N 1 0 331.416 3.149 10 5 EGBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000570561509 317073371 /nfs/dbraw/zinc/07/33/71/317073371.db2.gz GDUXJEVQLMYSNU-HNNXBMFYSA-N 1 0 333.432 3.158 10 5 EGBERO Cn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000572542230 317354314 /nfs/dbraw/zinc/35/43/14/317354314.db2.gz XNKTWVQVMPTRIM-LBPRGKRZSA-N 1 0 340.305 3.124 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000576087091 324542607 /nfs/dbraw/zinc/54/26/07/324542607.db2.gz WHABZZFZUSTEFX-KBXCAEBGSA-N 1 0 341.411 3.431 10 5 EGBERO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000583559560 325534277 /nfs/dbraw/zinc/53/42/77/325534277.db2.gz BILFPJGNRPMMQO-KRWDZBQOSA-N 1 0 344.411 3.248 10 5 EGBERO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000397745568 457490332 /nfs/dbraw/zinc/49/03/32/457490332.db2.gz YPEDIEQFMRZZKH-KCJUWKMLSA-N 1 0 331.235 3.198 10 5 EGBERO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183284620 455270786 /nfs/dbraw/zinc/27/07/86/455270786.db2.gz SKRAYJANCAXOIK-UHFFFAOYSA-N 1 0 328.368 3.322 10 5 EGBERO CCOC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000003026224 452739934 /nfs/dbraw/zinc/73/99/34/452739934.db2.gz XIYFLVJAUGRHML-CYBMUJFWSA-N 1 0 328.796 3.316 10 5 EGBERO COc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000054125254 453911929 /nfs/dbraw/zinc/91/19/29/453911929.db2.gz LDJZXGSOILAZNL-UHFFFAOYSA-N 1 0 342.399 3.075 10 5 EGBERO C[N@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCCC1 ZINC000068899483 454063777 /nfs/dbraw/zinc/06/37/77/454063777.db2.gz NPWIMCLZBANMJJ-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO Cc1sc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000044582288 454108055 /nfs/dbraw/zinc/10/80/55/454108055.db2.gz XDSFQIXDAMGBIX-RYUDHWBXSA-N 1 0 339.461 3.063 10 5 EGBERO O=[N+]([O-])c1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c(F)c1 ZINC000600885919 460630917 /nfs/dbraw/zinc/63/09/17/460630917.db2.gz ZQOBDMVURQAFAE-ABAIWWIYSA-N 1 0 349.387 3.393 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090092855 454277763 /nfs/dbraw/zinc/27/77/63/454277763.db2.gz PKQALYDSZBNDCD-GOEBONIOSA-N 1 0 338.411 3.330 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC000090530811 454317772 /nfs/dbraw/zinc/31/77/72/454317772.db2.gz NAXOAVBKFXZNOB-AAEUAGOBSA-N 1 0 332.404 3.307 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000092626584 454596990 /nfs/dbraw/zinc/59/69/90/454596990.db2.gz OVJAGOVBIRCEAQ-GFCCVEGCSA-N 1 0 325.384 3.275 10 5 EGBERO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092643782 454598010 /nfs/dbraw/zinc/59/80/10/454598010.db2.gz OSSKTYUFXLBYJS-ZDUSSCGKSA-N 1 0 344.367 3.240 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1O ZINC000092788901 454633435 /nfs/dbraw/zinc/63/34/35/454633435.db2.gz YNRSMYCHAKIHLB-NSHDSACASA-N 1 0 349.412 3.145 10 5 EGBERO C[C@@H](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000182227959 455466552 /nfs/dbraw/zinc/46/65/52/455466552.db2.gz AXNZOPGZFGYUIP-ZDUSSCGKSA-N 1 0 344.415 3.070 10 5 EGBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000125822152 454849803 /nfs/dbraw/zinc/84/98/03/454849803.db2.gz MRKQISUWXFZRCJ-AWEZNQCLSA-N 1 0 330.384 3.242 10 5 EGBERO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000150736737 454884716 /nfs/dbraw/zinc/88/47/16/454884716.db2.gz FXVKZOPHABNOMY-ZDUSSCGKSA-N 1 0 335.404 3.197 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000113227731 454918420 /nfs/dbraw/zinc/91/84/20/454918420.db2.gz AWZYODFVRNDCLI-DZGCQCFKSA-N 1 0 345.443 3.201 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000155104989 454963432 /nfs/dbraw/zinc/96/34/32/454963432.db2.gz YXRGMUSNKKICLP-GFCCVEGCSA-N 1 0 331.347 3.332 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127574497 454978752 /nfs/dbraw/zinc/97/87/52/454978752.db2.gz VABQRICSAHXJTG-AWEZNQCLSA-N 1 0 334.420 3.160 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3CO)cs2)c1 ZINC000152334360 455103942 /nfs/dbraw/zinc/10/39/42/455103942.db2.gz UJGICVMWOHHFPB-CZUORRHYSA-N 1 0 347.440 3.359 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152406461 455114549 /nfs/dbraw/zinc/11/45/49/455114549.db2.gz IUFYQUSJYJQXMN-HIFRSBDPSA-N 1 0 341.415 3.462 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCSCCCO)c2ccccc2)c1 ZINC000180480497 455178384 /nfs/dbraw/zinc/17/83/84/455178384.db2.gz GNTFVACZUYRYBH-SFHVURJKSA-N 1 0 346.452 3.389 10 5 EGBERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000172841874 455195660 /nfs/dbraw/zinc/19/56/60/455195660.db2.gz XZZRPKDLEBAIBJ-CYBMUJFWSA-N 1 0 344.415 3.023 10 5 EGBERO COc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000246262591 455459587 /nfs/dbraw/zinc/45/95/87/455459587.db2.gz LKGAFWOWEFUCII-RTBURBONSA-N 1 0 342.395 3.474 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000195328576 455944750 /nfs/dbraw/zinc/94/47/50/455944750.db2.gz XFRMVCSMSOXTCT-UHFFFAOYSA-N 1 0 333.432 3.240 10 5 EGBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000188102968 455998071 /nfs/dbraw/zinc/99/80/71/455998071.db2.gz IUPHHXPGRQOSOB-BBRMVZONSA-N 1 0 334.416 3.349 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216161707 456028201 /nfs/dbraw/zinc/02/82/01/456028201.db2.gz OWQFKNXVALYCLH-CQSZACIVSA-N 1 0 327.384 3.444 10 5 EGBERO C[NH+](C)CCCOc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601115078 460715893 /nfs/dbraw/zinc/71/58/93/460715893.db2.gz ZCXRZNXLXBIUNV-UHFFFAOYSA-N 1 0 348.378 3.072 10 5 EGBERO CCCC[NH+]1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301630616 456168923 /nfs/dbraw/zinc/16/89/23/456168923.db2.gz SOWOGIVYFJBCIB-UHFFFAOYSA-N 1 0 325.384 3.419 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301870864 456238016 /nfs/dbraw/zinc/23/80/16/456238016.db2.gz PKQALYDSZBNDCD-HOCLYGCPSA-N 1 0 338.411 3.330 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000297532228 456244247 /nfs/dbraw/zinc/24/42/47/456244247.db2.gz IHQMVGOQPZLXKF-ZQIUZPCESA-N 1 0 348.447 3.028 10 5 EGBERO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000302116843 456290752 /nfs/dbraw/zinc/29/07/52/456290752.db2.gz CITBBCYZXSJYLA-GVDBMIGSSA-N 1 0 338.411 3.312 10 5 EGBERO CSc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148656 460731922 /nfs/dbraw/zinc/73/19/22/460731922.db2.gz GKMSKKYEXXLUAR-HNNXBMFYSA-N 1 0 338.454 3.376 10 5 EGBERO C[C@@](CO)([NH2+]Cc1cccc2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601149652 460732593 /nfs/dbraw/zinc/73/25/93/460732593.db2.gz PHQPRHFCONOYJV-IBGZPJMESA-N 1 0 326.396 3.081 10 5 EGBERO CC(C)(C)[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000340566577 456534332 /nfs/dbraw/zinc/53/43/32/456534332.db2.gz DBCHSNUUZVOONM-WFASDCNBSA-N 1 0 328.359 3.102 10 5 EGBERO CC1(C)C[C@@H]([NH2+]C[C@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000348204247 456534971 /nfs/dbraw/zinc/53/49/71/456534971.db2.gz FZEQHTIWPKAQSB-RDTXWAMCSA-N 1 0 341.411 3.078 10 5 EGBERO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000348263289 456581120 /nfs/dbraw/zinc/58/11/20/456581120.db2.gz RUINSRCPCPWBQD-LLVKDONJSA-N 1 0 347.396 3.305 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000311489300 456589782 /nfs/dbraw/zinc/58/97/82/456589782.db2.gz BRJIDKVBKUHOCO-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283354679 456764828 /nfs/dbraw/zinc/76/48/28/456764828.db2.gz MRTVYBRUBMPKBG-SZMVWBNQSA-N 1 0 348.443 3.203 10 5 EGBERO O=C(CC[NH2+][C@@H](c1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000347350365 457368067 /nfs/dbraw/zinc/36/80/67/457368067.db2.gz AAQRTPWRFGADSA-GOSISDBHSA-N 1 0 340.383 3.059 10 5 EGBERO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000397745576 457490163 /nfs/dbraw/zinc/49/01/63/457490163.db2.gz YPEDIEQFMRZZKH-LDYMZIIASA-N 1 0 331.235 3.198 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012512 457493795 /nfs/dbraw/zinc/49/37/95/457493795.db2.gz DNAXGAIZADQECV-PBHICJAKSA-N 1 0 326.400 3.312 10 5 EGBERO Cc1csc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000371189023 457820495 /nfs/dbraw/zinc/82/04/95/457820495.db2.gz PFPYFCOVFDMTKN-UHFFFAOYSA-N 1 0 332.429 3.436 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412043421 458061213 /nfs/dbraw/zinc/06/12/13/458061213.db2.gz NUVFKRQDNLFODS-NEPJUHHUSA-N 1 0 335.404 3.051 10 5 EGBERO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592563 459101760 /nfs/dbraw/zinc/10/17/60/459101760.db2.gz RNFBNKQQURSWTC-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO COc1ccc(CNCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000521813805 459178822 /nfs/dbraw/zinc/17/88/22/459178822.db2.gz ADTMHWANIQTWIM-GJZGRUSLSA-N 1 0 349.475 3.450 10 5 EGBERO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1 ZINC000594956924 459191642 /nfs/dbraw/zinc/19/16/42/459191642.db2.gz YCJDBBRGJWREMX-NSHDSACASA-N 1 0 337.326 3.485 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](O)C34CCC4)o2)cc1 ZINC000594985840 459204569 /nfs/dbraw/zinc/20/45/69/459204569.db2.gz ASXYFZVNHOXUSB-IAGOWNOFSA-N 1 0 328.368 3.248 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C34CCC4)o2)c1 ZINC000594988022 459206219 /nfs/dbraw/zinc/20/62/19/459206219.db2.gz NZXIVYNMNNXTKH-DLBZAZTESA-N 1 0 328.368 3.248 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000595041996 459225576 /nfs/dbraw/zinc/22/55/76/459225576.db2.gz SAGLIFRSXSPXAP-LBPRGKRZSA-N 1 0 348.403 3.393 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595092562 459241378 /nfs/dbraw/zinc/24/13/78/459241378.db2.gz KUDFJIWADFGODL-ZWNOBZJWSA-N 1 0 341.358 3.193 10 5 EGBERO Cc1cncc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000595091946 459241793 /nfs/dbraw/zinc/24/17/93/459241793.db2.gz VHGKHMVOZXWMSA-QGZVFWFLSA-N 1 0 326.400 3.248 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595094974 459243247 /nfs/dbraw/zinc/24/32/47/459243247.db2.gz RZYYOXDHUHZNHL-GWCFXTLKSA-N 1 0 341.358 3.193 10 5 EGBERO Cc1cc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595230259 459259558 /nfs/dbraw/zinc/25/95/58/459259558.db2.gz CTIRKRVMENOMCK-OAHLLOKOSA-N 1 0 346.431 3.147 10 5 EGBERO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc21 ZINC000595257572 459263922 /nfs/dbraw/zinc/26/39/22/459263922.db2.gz ZCJXIQKBKSKCDI-AWEZNQCLSA-N 1 0 325.368 3.226 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470433 459313363 /nfs/dbraw/zinc/31/33/63/459313363.db2.gz NUUWLNVGIRSNGO-UOUZQGKXSA-N 1 0 336.407 3.495 10 5 EGBERO Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)co1 ZINC000595562717 459348891 /nfs/dbraw/zinc/34/88/91/459348891.db2.gz LDPIXXNQUHGUHW-QAQDUYKDSA-N 1 0 345.399 3.197 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755961 459426614 /nfs/dbraw/zinc/42/66/14/459426614.db2.gz RXAPIAWHVBRZGI-AWEZNQCLSA-N 1 0 337.395 3.303 10 5 EGBERO COc1cc(C[N@H+](C)CCOc2ccccc2C)ccc1[N+](=O)[O-] ZINC000485820787 459472397 /nfs/dbraw/zinc/47/23/97/459472397.db2.gz CCDPPNQOTREPQV-UHFFFAOYSA-N 1 0 330.384 3.423 10 5 EGBERO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591917718 459483523 /nfs/dbraw/zinc/48/35/23/459483523.db2.gz BHKRBMUQRVXWEQ-HNNXBMFYSA-N 1 0 344.459 3.037 10 5 EGBERO COc1cncc(/C=C\CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000592085009 459521621 /nfs/dbraw/zinc/52/16/21/459521621.db2.gz AEKGTHVDKAMHBL-DJWKRKHSSA-N 1 0 339.395 3.460 10 5 EGBERO CC[N@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596143223 459535678 /nfs/dbraw/zinc/53/56/78/459535678.db2.gz QTMFGPKBTFUUHQ-LLVKDONJSA-N 1 0 327.812 3.035 10 5 EGBERO COC(=O)c1c(Cl)c(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000596236687 459570662 /nfs/dbraw/zinc/57/06/62/459570662.db2.gz KYUCZMGHOFLWAL-JTQLQIEISA-N 1 0 343.811 3.175 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)OCCO2 ZINC000592373607 459583413 /nfs/dbraw/zinc/58/34/13/459583413.db2.gz ZWCUUERMXLCAKO-GDBMZVCRSA-N 1 0 340.379 3.259 10 5 EGBERO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392425 459588638 /nfs/dbraw/zinc/58/86/38/459588638.db2.gz UAUHXLOSLFCMFH-MNOVXSKESA-N 1 0 329.347 3.193 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CCC(F)CC1 ZINC000592398998 459592071 /nfs/dbraw/zinc/59/20/71/459592071.db2.gz LHUQJXBOWFLUAL-IYXRBSQSSA-N 1 0 337.395 3.430 10 5 EGBERO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596451817 459641831 /nfs/dbraw/zinc/64/18/31/459641831.db2.gz CFGDWQYCGHQQPL-HOCLYGCPSA-N 1 0 348.447 3.090 10 5 EGBERO O=[N+]([O-])c1cccc(CN(Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000596979795 459809881 /nfs/dbraw/zinc/80/98/81/459809881.db2.gz PACDCOAUFNQDLC-UHFFFAOYSA-N 1 0 349.394 3.340 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000597116071 459841546 /nfs/dbraw/zinc/84/15/46/459841546.db2.gz DAOTUCXZBMFKOE-TZMCWYRMSA-N 1 0 330.306 3.271 10 5 EGBERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597232061 459886915 /nfs/dbraw/zinc/88/69/15/459886915.db2.gz OQSJDFSXZRSDTL-INIZCTEOSA-N 1 0 347.459 3.455 10 5 EGBERO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000593464536 459897656 /nfs/dbraw/zinc/89/76/56/459897656.db2.gz KZQDHSCFUJVWBV-DYVFJYSZSA-N 1 0 326.400 3.064 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598466825 459904747 /nfs/dbraw/zinc/90/47/47/459904747.db2.gz WOXODMMHDHNVQK-UHFFFAOYSA-N 1 0 327.812 3.098 10 5 EGBERO C[NH2+]Cc1ccccc1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000593914395 460015052 /nfs/dbraw/zinc/01/50/52/460015052.db2.gz KALSVNZXSQFLIH-UHFFFAOYSA-N 1 0 341.411 3.368 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC000594054704 460077201 /nfs/dbraw/zinc/07/72/01/460077201.db2.gz VUANKOZDOMNDCO-MRXNPFEDSA-N 1 0 331.416 3.238 10 5 EGBERO CC(C)c1ncc2c(n1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598938186 460096204 /nfs/dbraw/zinc/09/62/04/460096204.db2.gz WGZIAKBORYAXCT-UHFFFAOYSA-N 1 0 326.400 3.109 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000589510951 460096710 /nfs/dbraw/zinc/09/67/10/460096710.db2.gz XRWZKRAIYVSZTD-UGSOOPFHSA-N 1 0 332.400 3.394 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000598989227 460119352 /nfs/dbraw/zinc/11/93/52/460119352.db2.gz DRPXMLCYHCKTBX-SFHVURJKSA-N 1 0 342.395 3.225 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000599055019 460141903 /nfs/dbraw/zinc/14/19/03/460141903.db2.gz FECKKWMMILYXRT-GXTWGEPZSA-N 1 0 340.305 3.172 10 5 EGBERO C[NH+]1CCC([C@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599058582 460145796 /nfs/dbraw/zinc/14/57/96/460145796.db2.gz JSEYIKUYMNHLIX-INIZCTEOSA-N 1 0 340.427 3.311 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000598038927 460151655 /nfs/dbraw/zinc/15/16/55/460151655.db2.gz HKVNWCGEKOFVFL-FUHWJXTLSA-N 1 0 347.459 3.106 10 5 EGBERO C[C@]12CCCC[C@H]1C[N@@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000599671986 460303825 /nfs/dbraw/zinc/30/38/25/460303825.db2.gz WLFSJXJHHPIGCU-UGSOOPFHSA-N 1 0 345.399 3.157 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC4(CC4)CC3)n2)c1 ZINC000599673376 460304978 /nfs/dbraw/zinc/30/49/78/460304978.db2.gz QAVLKSPOIBPHCN-UHFFFAOYSA-N 1 0 328.372 3.411 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])c1 ZINC000599674956 460305753 /nfs/dbraw/zinc/30/57/53/460305753.db2.gz LZTPJEQNVJVSHF-UGSOOPFHSA-N 1 0 347.415 3.197 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000619617785 460398308 /nfs/dbraw/zinc/39/83/08/460398308.db2.gz CQCGYHYFXAEFKQ-UHFFFAOYSA-N 1 0 339.823 3.115 10 5 EGBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000634745655 460505307 /nfs/dbraw/zinc/50/53/07/460505307.db2.gz ONWCCMYOPLTIJZ-SZPZYZBQSA-N 1 0 345.446 3.460 10 5 EGBERO CCOc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000617206886 460775371 /nfs/dbraw/zinc/77/53/71/460775371.db2.gz QYZJNLAQQXKIIF-SJORKVTESA-N 1 0 347.459 3.441 10 5 EGBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555666 460830758 /nfs/dbraw/zinc/83/07/58/460830758.db2.gz FQESMXVSNOVAOL-RISCZKNCSA-N 1 0 345.424 3.024 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH3+])c2ccccc21 ZINC000601964722 460963969 /nfs/dbraw/zinc/96/39/69/460963969.db2.gz ROPHUKYRXANYQS-CYBMUJFWSA-N 1 0 327.384 3.056 10 5 EGBERO Cc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000127330778 1293560318 /nfs/dbraw/zinc/56/03/18/1293560318.db2.gz ZRCIJNQBUFUWRD-UHFFFAOYSA-N 1 0 326.400 3.057 10 5 EGBERO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872017610 1296658911 /nfs/dbraw/zinc/65/89/11/1296658911.db2.gz CYFJTIFYXDIPPQ-ZDUSSCGKSA-N 1 0 337.395 3.177 10 5 EGBERO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051361 1296701142 /nfs/dbraw/zinc/70/11/42/1296701142.db2.gz JOVVYFORYVJFMF-LLVKDONJSA-N 1 0 330.363 3.295 10 5 EGBERO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872080684 1296722416 /nfs/dbraw/zinc/72/24/16/1296722416.db2.gz YCILHOIXDUSVFH-GXTWGEPZSA-N 1 0 348.374 3.169 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088470 1296726997 /nfs/dbraw/zinc/72/69/97/1296726997.db2.gz RFTKWRSSWXEZIX-WDEREUQCSA-N 1 0 331.338 3.114 10 5 EGBERO CC1(C)C[C@H]([NH2+]CCC[C@H]2CCOC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000872113666 1296739364 /nfs/dbraw/zinc/73/93/64/1296739364.db2.gz QLJRXSVCKJMYFT-LRDDRELGSA-N 1 0 332.400 3.250 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncc(Cl)s2)n1 ZINC000872114881 1296739546 /nfs/dbraw/zinc/73/95/46/1296739546.db2.gz DDNRMRKSXWXMGB-NXEZZACHSA-N 1 0 341.824 3.175 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000882395710 1301946635 /nfs/dbraw/zinc/94/66/35/1301946635.db2.gz XRWZTDRCITURTH-CYBMUJFWSA-N 1 0 331.416 3.108 10 5 EGBERO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000886600825 1303518337 /nfs/dbraw/zinc/51/83/37/1303518337.db2.gz CBDRDXITYSPHGY-JQWIXIFHSA-N 1 0 346.305 3.045 10 5 EGBERO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000893015807 1305659074 /nfs/dbraw/zinc/65/90/74/1305659074.db2.gz UCRHBYBMFLWQBC-VYDXJSESSA-N 1 0 347.459 3.420 10 5 EGBERO CC[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC ZINC000895124866 1309198766 /nfs/dbraw/zinc/19/87/66/1309198766.db2.gz ZFRNBPGAINTNIP-NSHDSACASA-N 1 0 349.412 3.007 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896237240 1309761397 /nfs/dbraw/zinc/76/13/97/1309761397.db2.gz LDFSFPRELFYJGQ-PINLSGDHSA-N 1 0 328.372 3.179 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858509815 1328784197 /nfs/dbraw/zinc/78/41/97/1328784197.db2.gz SPBJDXDRNVSYHL-PBHICJAKSA-N 1 0 330.384 3.214 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859274562 1328959145 /nfs/dbraw/zinc/95/91/45/1328959145.db2.gz UDKUYKFJNORVIY-VXGBXAGGSA-N 1 0 339.823 3.241 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000859564868 1329018661 /nfs/dbraw/zinc/01/86/61/1329018661.db2.gz QICNAADZFWRZEE-ROUUACIJSA-N 1 0 327.384 3.154 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922461261 1322533162 /nfs/dbraw/zinc/53/31/62/1322533162.db2.gz KQVXKCZHTHMLHF-TZMCWYRMSA-N 1 0 348.321 3.193 10 5 EGBERO CO[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCSC1 ZINC000922572715 1322560580 /nfs/dbraw/zinc/56/05/80/1322560580.db2.gz ZSTAAQMYFWPBHP-KRWDZBQOSA-N 1 0 348.424 3.467 10 5 EGBERO Cc1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922678491 1322587310 /nfs/dbraw/zinc/58/73/10/1322587310.db2.gz KRBQNYIRAWYOPT-JSGCOSHPSA-N 1 0 332.322 3.493 10 5 EGBERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922697738 1322594555 /nfs/dbraw/zinc/59/45/55/1322594555.db2.gz UOOLYNKJBQZVCO-TZMCWYRMSA-N 1 0 332.322 3.493 10 5 EGBERO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1[N+](=O)[O-] ZINC000922876299 1322638512 /nfs/dbraw/zinc/63/85/12/1322638512.db2.gz NDBXKPBPHRKXKZ-FFGGFLGDSA-N 1 0 334.416 3.490 10 5 EGBERO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C23CCCC3)cc(C(F)(F)F)c1 ZINC000925657565 1325251354 /nfs/dbraw/zinc/25/13/54/1325251354.db2.gz CUWJXEOYMCSXFV-AWEZNQCLSA-N 1 0 343.349 3.378 10 5 EGBERO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925785262 1325300486 /nfs/dbraw/zinc/30/04/86/1325300486.db2.gz MKBRIMBWFIAZCU-LJHODMEESA-N 1 0 325.412 3.129 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926964799 1327801788 /nfs/dbraw/zinc/80/17/88/1327801788.db2.gz UCUQEBBAZSNASQ-RISCZKNCSA-N 1 0 333.354 3.436 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000862466520 1329488944 /nfs/dbraw/zinc/48/89/44/1329488944.db2.gz ZTTBKEPHQVJEAA-CQSZACIVSA-N 1 0 342.351 3.206 10 5 EGBERO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000863210086 1329534859 /nfs/dbraw/zinc/53/48/59/1329534859.db2.gz LTNDDNRSGSYLCU-INIZCTEOSA-N 1 0 348.472 3.288 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000865653828 1329725627 /nfs/dbraw/zinc/72/56/27/1329725627.db2.gz BCRRTNKKYHSMPB-SNVBAGLBSA-N 1 0 332.372 3.429 10 5 EGBERO COc1c(C)cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC000865705399 1329731124 /nfs/dbraw/zinc/73/11/24/1329731124.db2.gz PZYUIWBNDYWMCV-IBGZPJMESA-N 1 0 344.411 3.218 10 5 EGBERO C[NH+]1CCC2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866055368 1330060475 /nfs/dbraw/zinc/06/04/75/1330060475.db2.gz VKAVFJIFJFCDTH-UHFFFAOYSA-N 1 0 325.359 3.185 10 5 EGBERO C[NH+](C)C1(C)CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000866148831 1330070850 /nfs/dbraw/zinc/07/08/50/1330070850.db2.gz WLDUFDNRIQLKTP-UHFFFAOYSA-N 1 0 346.431 3.154 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000866205968 1330078100 /nfs/dbraw/zinc/07/81/00/1330078100.db2.gz PEBGBMYRYMFNAX-MFKMUULPSA-N 1 0 329.322 3.144 10 5 EGBERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866303410 1330093398 /nfs/dbraw/zinc/09/33/98/1330093398.db2.gz SFUBHQJFMYTYEY-FZMZJTMJSA-N 1 0 338.404 3.358 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001185555078 1387746456 /nfs/dbraw/zinc/74/64/56/1387746456.db2.gz HLDWQXLNXWFPSV-HNNXBMFYSA-N 1 0 347.415 3.058 10 5 EGBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001198621037 1369075385 /nfs/dbraw/zinc/07/53/85/1369075385.db2.gz HDKPRCJEHLYTOB-FUHWJXTLSA-N 1 0 347.459 3.168 10 5 EGBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001198621038 1369075877 /nfs/dbraw/zinc/07/58/77/1369075877.db2.gz HDKPRCJEHLYTOB-SJLPKXTDSA-N 1 0 347.459 3.168 10 5 EGBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001326403329 1388178668 /nfs/dbraw/zinc/17/86/68/1388178668.db2.gz ZDAVQPLVXFKFKS-YGRLFVJLSA-N 1 0 345.237 3.244 10 5 EGBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001136400963 1377389410 /nfs/dbraw/zinc/38/94/10/1377389410.db2.gz FYVWHXCYUVANEV-AEFFLSMTSA-N 1 0 345.443 3.349 10 5 EGBERO CCc1ccccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001267419553 1377445245 /nfs/dbraw/zinc/44/52/45/1377445245.db2.gz NTMUOCYYMRXZKG-UHFFFAOYSA-N 1 0 341.411 3.019 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001154889829 1380373498 /nfs/dbraw/zinc/37/34/98/1380373498.db2.gz SCTSQXAXEVLXQR-AWEZNQCLSA-N 1 0 345.443 3.301 10 5 EGBERO CC(C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001162078912 1382622283 /nfs/dbraw/zinc/62/22/83/1382622283.db2.gz PCIUJKZJFSVNTM-CQSZACIVSA-N 1 0 340.855 3.378 10 5 EGBERO C[NH+](C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C1CCCCC1 ZINC001162103643 1382630015 /nfs/dbraw/zinc/63/00/15/1382630015.db2.gz JVLIZCPERJURED-QGZVFWFLSA-N 1 0 339.411 3.149 10 5 EGBERO CCO[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC001164102521 1383156814 /nfs/dbraw/zinc/15/68/14/1383156814.db2.gz AVRGPKRMDQAKHM-SECBINFHSA-N 1 0 336.219 3.280 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1csc2ccccc12 ZINC001166991077 1383511088 /nfs/dbraw/zinc/51/10/88/1383511088.db2.gz XMQIINWEMGXIPN-UHFFFAOYSA-N 1 0 330.413 3.446 10 5 EGBERO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001306339443 1383887913 /nfs/dbraw/zinc/88/79/13/1383887913.db2.gz NOOJPLXCICOFDM-UHFFFAOYSA-N 1 0 347.802 3.240 10 5 EGBERO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CCCCC1 ZINC001306928721 1383921914 /nfs/dbraw/zinc/92/19/14/1383921914.db2.gz VHVZDIHDTZPJSS-HNNXBMFYSA-N 1 0 336.392 3.425 10 5 EGBERO CC1CC[NH+]([C@@H](CNc2c([N+](=O)[O-])cnn2C)c2ccccc2)CC1 ZINC001306940385 1383923932 /nfs/dbraw/zinc/92/39/32/1383923932.db2.gz QHTLUFNJVOTGOL-INIZCTEOSA-N 1 0 343.431 3.213 10 5 EGBERO CC[N@H+](CCNc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001306956918 1383926015 /nfs/dbraw/zinc/92/60/15/1383926015.db2.gz JXRLELBLKSDHHS-UHFFFAOYSA-N 1 0 330.226 3.500 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1CCC[C@@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634017 1384006227 /nfs/dbraw/zinc/00/62/27/1384006227.db2.gz UHXLLLTUWAJMTE-SQNIBIBYSA-N 1 0 334.416 3.364 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1CCCCCC1 ZINC001307668408 1384011239 /nfs/dbraw/zinc/01/12/39/1384011239.db2.gz JQRKQUPXCIQNLS-CYBMUJFWSA-N 1 0 349.431 3.490 10 5 EGBERO Cc1ccc(CCC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001307999842 1384071777 /nfs/dbraw/zinc/07/17/77/1384071777.db2.gz PQSPSRKJOZTBSQ-IBGZPJMESA-N 1 0 328.412 3.333 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCOCC23CCCC3)cc1 ZINC001308167634 1384104459 /nfs/dbraw/zinc/10/44/59/1384104459.db2.gz XUOJHDRMDKJQJL-KRWDZBQOSA-N 1 0 334.416 3.303 10 5 EGBERO Cc1c(CN2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cccc1[N+](=O)[O-] ZINC001308171493 1384105123 /nfs/dbraw/zinc/10/51/23/1384105123.db2.gz UDLKXTKZNTXLKX-KDURUIRLSA-N 1 0 329.444 3.211 10 5 EGBERO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171267296 1384481942 /nfs/dbraw/zinc/48/19/42/1384481942.db2.gz OCKLEUMKOUXWOS-HOCLYGCPSA-N 1 0 348.443 3.437 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C2CCC2)CCC1 ZINC001317615262 1385354794 /nfs/dbraw/zinc/35/47/94/1385354794.db2.gz WRWDFTZFLFQCLV-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001320066296 1386486099 /nfs/dbraw/zinc/48/60/99/1386486099.db2.gz FSYWDSXBMNDHAN-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CC1(C)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001348737876 1391259822 /nfs/dbraw/zinc/25/98/22/1391259822.db2.gz SDEZSYANXWBFMJ-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001353499194 1392024724 /nfs/dbraw/zinc/02/47/24/1392024724.db2.gz VZNNBXWAUNOUCA-NSHDSACASA-N 1 0 327.812 3.098 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1=CCCCC1 ZINC001481214265 1393150122 /nfs/dbraw/zinc/15/01/22/1393150122.db2.gz SOFSXOOJXPVYLW-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC(C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001490931119 1394377207 /nfs/dbraw/zinc/37/72/07/1394377207.db2.gz IFRPGNHNJCDCOG-WKILWMFISA-N 1 0 333.432 3.158 10 5 EGBERO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001482212454 1394805769 /nfs/dbraw/zinc/80/57/69/1394805769.db2.gz YFWNXOMYRDXKPT-GIDUJCDVSA-N 1 0 345.443 3.470 10 5 EGBERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001482215414 1394809437 /nfs/dbraw/zinc/80/94/37/1394809437.db2.gz MFFGRRUGKPZIJA-BASWHVEKSA-N 1 0 337.445 3.141 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(F)CCCCC1 ZINC001497720975 1396799224 /nfs/dbraw/zinc/79/92/24/1396799224.db2.gz YOIRONWEGQMCKQ-PLNGDYQASA-N 1 0 349.406 3.029 10 5 EGBERO CC[N@H+](CCNC(=O)/C=C\C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691011878 1404927032 /nfs/dbraw/zinc/92/70/32/1404927032.db2.gz KXUJFHJQNILQFW-KHPPLWFESA-N 1 0 333.432 3.135 10 5 EGBERO CCN(CCNC(=O)C1(C)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001691034054 1404943622 /nfs/dbraw/zinc/94/36/22/1404943622.db2.gz FKDMVOFTICEERZ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC(C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)=C1CCC1 ZINC001707377784 1417301776 /nfs/dbraw/zinc/30/17/76/1417301776.db2.gz UIHIQLXSGJEJEG-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO C/C=C(\C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001714296316 1419075643 /nfs/dbraw/zinc/07/56/43/1419075643.db2.gz AORAMCUOMPXYRL-RZUUCNQMSA-N 1 0 331.416 3.078 10 5 EGBERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001714488963 1419212398 /nfs/dbraw/zinc/21/23/98/1419212398.db2.gz XTWYGOBJAXVPSF-LZWSPWQCSA-N 1 0 331.416 3.080 10 5 EGBERO C=Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001714761812 1419497691 /nfs/dbraw/zinc/49/76/91/1419497691.db2.gz VBMXYBYREKCTLU-UHFFFAOYSA-N 1 0 339.395 3.100 10 5 EGBERO Cc1cscc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733241513 1429384547 /nfs/dbraw/zinc/38/45/47/1429384547.db2.gz OGGIFRNKRIDEIZ-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cscc1C ZINC001716211755 1420567840 /nfs/dbraw/zinc/56/78/40/1420567840.db2.gz ROFKXGGBRQLLEF-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001716376947 1420623613 /nfs/dbraw/zinc/62/36/13/1420623613.db2.gz JQRHWJYZPDQWRH-WAYWQWQTSA-N 1 0 343.427 3.103 10 5 EGBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)o1 ZINC001724781029 1425145731 /nfs/dbraw/zinc/14/57/31/1425145731.db2.gz RCCSINKQTAVGPC-UHFFFAOYSA-N 1 0 349.412 3.000 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccccc1 ZINC001724781011 1425145847 /nfs/dbraw/zinc/14/58/47/1425145847.db2.gz UMIWVGGHWVMAID-UHFFFAOYSA-N 1 0 339.395 3.037 10 5 EGBERO CC1(CC(=O)NCC2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001725819886 1426495871 /nfs/dbraw/zinc/49/58/71/1426495871.db2.gz XJJLFXUOFWKMLV-UHFFFAOYSA-N 1 0 343.427 3.033 10 5 EGBERO CC(C)CC(C)(C)C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001731969717 1428188258 /nfs/dbraw/zinc/18/82/58/1428188258.db2.gz KFLSUFAEAJVDFL-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CCC(C)(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001733722895 1429945779 /nfs/dbraw/zinc/94/57/79/1429945779.db2.gz LZQYUYLSVPEIPY-UHFFFAOYSA-N 1 0 339.461 3.221 10 5 EGBERO CCCC(=O)NC1(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001734606436 1438185924 /nfs/dbraw/zinc/18/59/24/1438185924.db2.gz PYPLJAXGMOMYBO-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183348569 235020963 /nfs/dbraw/zinc/02/09/63/235020963.db2.gz CQJBYFZBVXOCAT-SFHVURJKSA-N 1 0 330.384 3.077 10 5 EGBERO [NH3+]CCCc1cc2cc[nH]c(=O)c2c2cc(Br)ccc12 ZINC000028955811 202179406 /nfs/dbraw/zinc/17/94/06/202179406.db2.gz OPMXQVCSVRUTJY-UHFFFAOYSA-N 1 0 331.213 3.335 10 5 EGBERO O=[N+]([O-])c1cc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cs1 ZINC000377733838 242079406 /nfs/dbraw/zinc/07/94/06/242079406.db2.gz YUNFCJZVLRCTFC-OAHLLOKOSA-N 1 0 329.425 3.293 10 5 EGBERO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690567 207249992 /nfs/dbraw/zinc/24/99/92/207249992.db2.gz NMMUTMWSPIDJGX-IRXDYDNUSA-N 1 0 348.447 3.172 10 5 EGBERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000119670299 221372001 /nfs/dbraw/zinc/37/20/01/221372001.db2.gz STXYHAWSEFWUPQ-GFCCVEGCSA-N 1 0 327.384 3.107 10 5 EGBERO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347944140 141222636 /nfs/dbraw/zinc/22/26/36/141222636.db2.gz JHHSIUHQPRBWHI-QGZVFWFLSA-N 1 0 345.443 3.059 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000359649109 141397971 /nfs/dbraw/zinc/39/79/71/141397971.db2.gz UUJRXDUBNCTCAR-UHFFFAOYSA-N 1 0 345.443 3.240 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000175100226 144057834 /nfs/dbraw/zinc/05/78/34/144057834.db2.gz ACECHSZIXLZVGJ-UHFFFAOYSA-N 1 0 333.432 3.054 10 5 EGBERO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188073815 144168328 /nfs/dbraw/zinc/16/83/28/144168328.db2.gz LXAYCVBWXJCKJT-STQMWFEESA-N 1 0 336.388 3.003 10 5 EGBERO CC(C)(C)OC(=O)[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351873482 144318677 /nfs/dbraw/zinc/31/86/77/144318677.db2.gz YUSWDGUNTZFHKB-JTQLQIEISA-N 1 0 342.342 3.037 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000194432809 153335684 /nfs/dbraw/zinc/33/56/84/153335684.db2.gz YTCSHIJTSCUSRH-LBPRGKRZSA-N 1 0 343.339 3.159 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000349071663 156343308 /nfs/dbraw/zinc/34/33/08/156343308.db2.gz GOJLDECCTBYNOK-MRXNPFEDSA-N 1 0 328.368 3.175 10 5 EGBERO C[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000130405724 162367254 /nfs/dbraw/zinc/36/72/54/162367254.db2.gz DYFMLHWGRBERLR-CYBMUJFWSA-N 1 0 330.384 3.448 10 5 EGBERO CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053037 162388915 /nfs/dbraw/zinc/38/89/15/162388915.db2.gz MIYCCGMQXDCBOV-WFASDCNBSA-N 1 0 329.404 3.325 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC[N@H+](C)Cc2ccco2)n1 ZINC000343810472 164040746 /nfs/dbraw/zinc/04/07/46/164040746.db2.gz OTYVRXMOARJEOX-UHFFFAOYSA-N 1 0 332.404 3.158 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@H]3CCOC3)cs2)c1 ZINC000344259190 164140112 /nfs/dbraw/zinc/14/01/12/164140112.db2.gz DBMAMOJOKVBJJC-LBPRGKRZSA-N 1 0 333.413 3.235 10 5 EGBERO CC[NH+](CC)CCOc1ccccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000344422199 164175177 /nfs/dbraw/zinc/17/51/77/164175177.db2.gz QDJSWLBGSMXLJR-UHFFFAOYSA-N 1 0 344.415 3.323 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000345980929 164309091 /nfs/dbraw/zinc/30/90/91/164309091.db2.gz CLUMQNHFZNJLEZ-UHFFFAOYSA-N 1 0 339.461 3.383 10 5 EGBERO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351970364 165174153 /nfs/dbraw/zinc/17/41/53/165174153.db2.gz ANRGKXKEQUVJRX-UHFFFAOYSA-N 1 0 333.432 3.054 10 5 EGBERO O=[N+]([O-])c1cc(F)c(CN2CCC[C@]3(CCCOC3)C2)c(F)c1 ZINC000352047173 165208189 /nfs/dbraw/zinc/20/81/89/165208189.db2.gz KSEDFHVHLNBHHP-INIZCTEOSA-N 1 0 326.343 3.266 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCSC[C@H]2CCO)o1 ZINC000355080859 166100917 /nfs/dbraw/zinc/10/09/17/166100917.db2.gz MYYDPGSZINVCEK-CYBMUJFWSA-N 1 0 348.424 3.155 10 5 EGBERO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311438 167122242 /nfs/dbraw/zinc/12/22/42/167122242.db2.gz UKMBPBLTHGYNKC-FZKQIMNGSA-N 1 0 332.400 3.473 10 5 EGBERO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311441 167122846 /nfs/dbraw/zinc/12/28/46/167122846.db2.gz UKMBPBLTHGYNKC-SCLBCKFNSA-N 1 0 332.400 3.473 10 5 EGBERO C[C@@H]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359559856 167192921 /nfs/dbraw/zinc/19/29/21/167192921.db2.gz POVVJDMFVOOMNG-RDTXWAMCSA-N 1 0 331.416 3.436 10 5 EGBERO C[N@H+](Cc1ccccc1)[C@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000359850187 167248843 /nfs/dbraw/zinc/24/88/43/167248843.db2.gz JTLLGGBQKHZKAE-QGZVFWFLSA-N 1 0 326.400 3.312 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360903645 167443607 /nfs/dbraw/zinc/44/36/07/167443607.db2.gz IESKNBBHAGJYIL-MRXNPFEDSA-N 1 0 349.479 3.212 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000364866388 167994381 /nfs/dbraw/zinc/99/43/81/167994381.db2.gz XATWJTSNRCTVOE-RRQGHBQHSA-N 1 0 334.416 3.288 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162525624 264909326 /nfs/dbraw/zinc/90/93/26/264909326.db2.gz QQPVBESQEBDYCO-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176546735 265187512 /nfs/dbraw/zinc/18/75/12/265187512.db2.gz MPGMSEXASGNMED-UHFFFAOYSA-N 1 0 347.459 3.391 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177523473 265261311 /nfs/dbraw/zinc/26/13/11/265261311.db2.gz UOHQMMAMOFPNRY-KBPBESRZSA-N 1 0 347.415 3.054 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000273435960 267038711 /nfs/dbraw/zinc/03/87/11/267038711.db2.gz MDFMDMRIOQKPNA-OAHLLOKOSA-N 1 0 341.415 3.278 10 5 EGBERO COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000185686424 275216012 /nfs/dbraw/zinc/21/60/12/275216012.db2.gz BKTBBJDWDNTAEA-IFXJQAMLSA-N 1 0 343.427 3.384 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282367118 275626366 /nfs/dbraw/zinc/62/63/66/275626366.db2.gz WOVIWHLSJPSRTA-UHFFFAOYSA-N 1 0 332.429 3.118 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000282428194 275633124 /nfs/dbraw/zinc/63/31/24/275633124.db2.gz MDUSDDOTIGYDFO-CZUORRHYSA-N 1 0 328.416 3.317 10 5 EGBERO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccccc2[N+](=O)[O-])N1O ZINC000004189899 276099157 /nfs/dbraw/zinc/09/91/57/276099157.db2.gz MHNVPICVDIYWQS-INIZCTEOSA-N 1 0 327.340 3.076 10 5 EGBERO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341346154 279456197 /nfs/dbraw/zinc/45/61/97/279456197.db2.gz HQXITQQKZPRCIB-HNNXBMFYSA-N 1 0 340.427 3.305 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](O)C(F)F ZINC000295097391 308291130 /nfs/dbraw/zinc/29/11/30/308291130.db2.gz SFTDRHSXKLMMGE-HIFRSBDPSA-N 1 0 340.326 3.349 10 5 EGBERO CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295836764 308365209 /nfs/dbraw/zinc/36/52/09/308365209.db2.gz AFZPKYOZEVHSKA-GDBMZVCRSA-N 1 0 328.416 3.312 10 5 EGBERO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295997215 308383113 /nfs/dbraw/zinc/38/31/13/308383113.db2.gz XKZCIHJCUNCVGN-NEPJUHHUSA-N 1 0 339.823 3.111 10 5 EGBERO O=[N+]([O-])c1cc(F)c(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301787708 308715197 /nfs/dbraw/zinc/71/51/97/308715197.db2.gz MOKGSLHSBXPITN-GFCCVEGCSA-N 1 0 325.359 3.328 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000330722809 308798144 /nfs/dbraw/zinc/79/81/44/308798144.db2.gz YJIKQVBNAAMMGO-UHFFFAOYSA-N 1 0 339.461 3.159 10 5 EGBERO C[C@@H]([NH3+])[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415018352 309114583 /nfs/dbraw/zinc/11/45/83/309114583.db2.gz QUXSRMQINNQIRX-NEPJUHHUSA-N 1 0 333.363 3.352 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415705297 309141442 /nfs/dbraw/zinc/14/14/42/309141442.db2.gz TTWSGRIPDBZMPG-LBPRGKRZSA-N 1 0 334.420 3.013 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000415929255 309149331 /nfs/dbraw/zinc/14/93/31/309149331.db2.gz HLVRBQCMGMCBRT-UHFFFAOYSA-N 1 0 342.399 3.334 10 5 EGBERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313849 309201338 /nfs/dbraw/zinc/20/13/38/309201338.db2.gz QEMYZNWYHRNLOS-PKOBYXMFSA-N 1 0 347.459 3.063 10 5 EGBERO COc1cc(C[NH2+]C2CCC(C(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000419790722 309272181 /nfs/dbraw/zinc/27/21/81/309272181.db2.gz UKBJKICUXAZFMV-UHFFFAOYSA-N 1 0 330.331 3.223 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401666 309286564 /nfs/dbraw/zinc/28/65/64/309286564.db2.gz POKXFTBLLUMLOI-YJBOKZPZSA-N 1 0 347.459 3.346 10 5 EGBERO COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422933997 309376747 /nfs/dbraw/zinc/37/67/47/309376747.db2.gz BXBDBYUKHLMOBY-OALUTQOASA-N 1 0 341.411 3.186 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000437335524 309790792 /nfs/dbraw/zinc/79/07/92/309790792.db2.gz DZOZODKHUCDRHR-VGAQJYNHSA-N 1 0 332.400 3.320 10 5 EGBERO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440344625 309848449 /nfs/dbraw/zinc/84/84/49/309848449.db2.gz RGCVSDHJAUNFTR-UHFFFAOYSA-N 1 0 340.408 3.446 10 5 EGBERO O=[N+]([O-])c1ccccc1C[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443024798 309893735 /nfs/dbraw/zinc/89/37/35/309893735.db2.gz VARZVMWIJNKPDM-UHFFFAOYSA-N 1 0 345.830 3.396 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000449541101 310070320 /nfs/dbraw/zinc/07/03/20/310070320.db2.gz ZAUPHXSCTAGNCF-SFHVURJKSA-N 1 0 341.411 3.212 10 5 EGBERO CC1(C)COC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449623785 310075681 /nfs/dbraw/zinc/07/56/81/310075681.db2.gz KTKHGPRTRSUHHN-CQSZACIVSA-N 1 0 333.413 3.233 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000484648545 310967978 /nfs/dbraw/zinc/96/79/78/310967978.db2.gz JNMAYZMFMVBONC-QZTJIDSGSA-N 1 0 341.411 3.073 10 5 EGBERO COc1cc(CC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000486498245 310993854 /nfs/dbraw/zinc/99/38/54/310993854.db2.gz NATHREBXUGNEGC-UHFFFAOYSA-N 1 0 342.395 3.287 10 5 EGBERO CCC1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000488176618 311054600 /nfs/dbraw/zinc/05/46/00/311054600.db2.gz CQHNSVXTFLVCOF-UHFFFAOYSA-N 1 0 336.432 3.367 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000498358652 311882661 /nfs/dbraw/zinc/88/26/61/311882661.db2.gz GQHRLKSJDHAPRO-QGZVFWFLSA-N 1 0 333.432 3.144 10 5 EGBERO CCn1ccnc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516541724 312328140 /nfs/dbraw/zinc/32/81/40/312328140.db2.gz ZSLLRUGNIFPVDE-LBPRGKRZSA-N 1 0 327.388 3.186 10 5 EGBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000518383012 312414731 /nfs/dbraw/zinc/41/47/31/312414731.db2.gz FKDBAXNTHYFJFW-GWCFXTLKSA-N 1 0 345.237 3.244 10 5 EGBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000535720009 314062790 /nfs/dbraw/zinc/06/27/90/314062790.db2.gz OVZNLXBZWKLKIG-BBRMVZONSA-N 1 0 326.400 3.064 10 5 EGBERO COC(=O)c1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000564317575 316135435 /nfs/dbraw/zinc/13/54/35/316135435.db2.gz FHWKQTARXBGEOT-AWEZNQCLSA-N 1 0 342.395 3.492 10 5 EGBERO C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000564700332 316189459 /nfs/dbraw/zinc/18/94/59/316189459.db2.gz XXNGMKYYIPFPMT-CQSZACIVSA-N 1 0 333.432 3.079 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000565549227 316338780 /nfs/dbraw/zinc/33/87/80/316338780.db2.gz PEYJFHYVGZQUJD-CZUORRHYSA-N 1 0 328.343 3.315 10 5 EGBERO COc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000574840357 317641754 /nfs/dbraw/zinc/64/17/54/317641754.db2.gz SSEMJLTVEWFOQS-UHFFFAOYSA-N 1 0 325.368 3.417 10 5 EGBERO O=[N+]([O-])c1cccc(CCc2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351049832 324158933 /nfs/dbraw/zinc/15/89/33/324158933.db2.gz PPFALJORMRVFFJ-UHFFFAOYSA-N 1 0 335.323 3.078 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn4ccccc4n3)c2c1 ZINC000578169282 324930399 /nfs/dbraw/zinc/93/03/99/324930399.db2.gz WRWABAJNTNCRNJ-UHFFFAOYSA-N 1 0 335.367 3.056 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000579278456 325087452 /nfs/dbraw/zinc/08/74/52/325087452.db2.gz UWHDFLYZEREQFQ-IMMZDGJCSA-N 1 0 328.343 3.340 10 5 EGBERO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000237839803 455223999 /nfs/dbraw/zinc/22/39/99/455223999.db2.gz ARNQHSDUYQGHSJ-UHFFFAOYSA-N 1 0 325.796 3.030 10 5 EGBERO CC(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+](C)C ZINC000012942881 453429386 /nfs/dbraw/zinc/42/93/86/453429386.db2.gz USTCZGDSESLMRB-CYBMUJFWSA-N 1 0 335.429 3.126 10 5 EGBERO CC1(c2cccc(-c3cc([N+](=O)[O-])ccc3CCO)c2)CC[NH2+]CC1 ZINC000600794815 460608991 /nfs/dbraw/zinc/60/89/91/460608991.db2.gz YADXGKGATKWMGS-UHFFFAOYSA-N 1 0 340.423 3.438 10 5 EGBERO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000184258988 455366499 /nfs/dbraw/zinc/36/64/99/455366499.db2.gz HJQYHZAPOVIRCW-LBPRGKRZSA-N 1 0 348.428 3.348 10 5 EGBERO O=[N+]([O-])c1cccc(CNc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000084504667 453992785 /nfs/dbraw/zinc/99/27/85/453992785.db2.gz RQWFIUBKXLGPAM-UHFFFAOYSA-N 1 0 341.411 3.164 10 5 EGBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000087258073 454073712 /nfs/dbraw/zinc/07/37/12/454073712.db2.gz GYCCRZXMCNRUTI-SFHVURJKSA-N 1 0 345.443 3.004 10 5 EGBERO Cc1c(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cccc1[N+](=O)[O-] ZINC000182039935 455422628 /nfs/dbraw/zinc/42/26/28/455422628.db2.gz STHVGXJVSRVAOR-AWEZNQCLSA-N 1 0 337.383 3.335 10 5 EGBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000184664282 455424339 /nfs/dbraw/zinc/42/43/39/455424339.db2.gz CCNNROHMTXSVIV-JTQLQIEISA-N 1 0 325.796 3.355 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000060890099 454318774 /nfs/dbraw/zinc/31/87/74/454318774.db2.gz KXGTVBMDGJSQQI-AWEZNQCLSA-N 1 0 349.431 3.443 10 5 EGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1nc2ccccc2s1 ZINC000090538501 454318792 /nfs/dbraw/zinc/31/87/92/454318792.db2.gz BMXXJLWTEAYWJP-VXGBXAGGSA-N 1 0 345.428 3.183 10 5 EGBERO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000120790918 454347772 /nfs/dbraw/zinc/34/77/72/454347772.db2.gz SNYDYHYIGCGPLN-UHFFFAOYSA-N 1 0 327.450 3.159 10 5 EGBERO COc1cccc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000079437543 454414419 /nfs/dbraw/zinc/41/44/19/454414419.db2.gz KCLNUANNGXOZNW-ZFWWWQNUSA-N 1 0 342.399 3.246 10 5 EGBERO CC(C)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1[N+](=O)[O-] ZINC000092647925 454599085 /nfs/dbraw/zinc/59/90/85/454599085.db2.gz RVNAAMIUXRTBJX-UHFFFAOYSA-N 1 0 329.404 3.147 10 5 EGBERO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)c1c[nH]c2ccccc12 ZINC000153067968 454757509 /nfs/dbraw/zinc/75/75/09/454757509.db2.gz AJNVFGQHLGWBSV-UHFFFAOYSA-N 1 0 335.363 3.317 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000184940343 455475944 /nfs/dbraw/zinc/47/59/44/455475944.db2.gz NZZWBUMMROZFHH-SBUREZEXSA-N 1 0 332.425 3.113 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342179 455492861 /nfs/dbraw/zinc/49/28/61/455492861.db2.gz YYUKVHDOFTVJER-WBMJQRKESA-N 1 0 325.840 3.410 10 5 EGBERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000150747301 454886432 /nfs/dbraw/zinc/88/64/32/454886432.db2.gz PVFAFGZFFMUFAG-CYBMUJFWSA-N 1 0 335.404 3.197 10 5 EGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190487580 455330724 /nfs/dbraw/zinc/33/07/24/455330724.db2.gz OIABSBKGFBBUPX-HNNXBMFYSA-N 1 0 346.456 3.005 10 5 EGBERO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000246313447 455468281 /nfs/dbraw/zinc/46/82/81/455468281.db2.gz QYSYWMRKZZADGF-JKSUJKDBSA-N 1 0 347.440 3.403 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247038010 455549641 /nfs/dbraw/zinc/54/96/41/455549641.db2.gz GNHUWKSQDQGBTA-FZMZJTMJSA-N 1 0 345.424 3.118 10 5 EGBERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277638742 455621707 /nfs/dbraw/zinc/62/17/07/455621707.db2.gz CJYXIOMJQUDCII-CQSZACIVSA-N 1 0 349.434 3.260 10 5 EGBERO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000277736986 455650450 /nfs/dbraw/zinc/65/04/50/455650450.db2.gz IFOMHXROVIRBIB-CYBMUJFWSA-N 1 0 331.401 3.247 10 5 EGBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000284755725 455736699 /nfs/dbraw/zinc/73/66/99/455736699.db2.gz LTKBFAJUIRKENG-CYBMUJFWSA-N 1 0 339.823 3.129 10 5 EGBERO CC[NH+](CC)CCCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000186337096 455746582 /nfs/dbraw/zinc/74/65/82/455746582.db2.gz OFKBWVSTJKMVTG-CCEZHUSRSA-N 1 0 333.432 3.236 10 5 EGBERO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000269389686 455847595 /nfs/dbraw/zinc/84/75/95/455847595.db2.gz CEMPRYVVFQZFBH-WFASDCNBSA-N 1 0 349.406 3.196 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000270116505 455881123 /nfs/dbraw/zinc/88/11/23/455881123.db2.gz NUSLEGOYLGJBHH-JCQPUDPBSA-N 1 0 332.425 3.491 10 5 EGBERO CCn1cc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000195501014 455970127 /nfs/dbraw/zinc/97/01/27/455970127.db2.gz DXPHTTOHGHKWQY-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000270651305 456005327 /nfs/dbraw/zinc/00/53/27/456005327.db2.gz MOJGTDRLNBBJPR-AEFFLSMTSA-N 1 0 339.395 3.078 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301927820 456253296 /nfs/dbraw/zinc/25/32/96/456253296.db2.gz KNMHYMJBVDBMKK-NWDGAFQWSA-N 1 0 325.384 3.275 10 5 EGBERO C[C@H](CC[S@@](C)=O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352849448 456361799 /nfs/dbraw/zinc/36/17/99/456361799.db2.gz PAKPXCOLHQGZHJ-CLNHLTTHSA-N 1 0 346.452 3.431 10 5 EGBERO Cc1cc(N2CCC([NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302692449 456376617 /nfs/dbraw/zinc/37/66/17/456376617.db2.gz SAXCNOKMDHGNKI-UHFFFAOYSA-N 1 0 342.237 3.196 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353230069 456574677 /nfs/dbraw/zinc/57/46/77/456574677.db2.gz RUDHIDSIOGNFHZ-UHFFFAOYSA-N 1 0 348.309 3.362 10 5 EGBERO Cc1nccn1CCCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291787570 456757363 /nfs/dbraw/zinc/75/73/63/456757363.db2.gz CZTIYHCSFSNCBT-UHFFFAOYSA-N 1 0 325.372 3.174 10 5 EGBERO C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000340922275 456762064 /nfs/dbraw/zinc/76/20/64/456762064.db2.gz WMQHFVJDHXMBCG-WMLDXEAASA-N 1 0 339.395 3.441 10 5 EGBERO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341849584 456970699 /nfs/dbraw/zinc/97/06/99/456970699.db2.gz QLOKNYJQHOKXFD-RHSMWYFYSA-N 1 0 348.447 3.075 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c(F)c1 ZINC000339412005 457098865 /nfs/dbraw/zinc/09/88/65/457098865.db2.gz DPVMHLBRQJIPLO-UHFFFAOYSA-N 1 0 343.280 3.480 10 5 EGBERO Cn1cc(C[NH2+]CCC2(F)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342217318 457173832 /nfs/dbraw/zinc/17/38/32/457173832.db2.gz QVEKOTGLJKMKIY-UHFFFAOYSA-N 1 0 332.379 3.367 10 5 EGBERO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000347333690 457359183 /nfs/dbraw/zinc/35/91/83/457359183.db2.gz CJKJARPKGHKIGA-PXAZEXFGSA-N 1 0 340.383 3.058 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360920863 457433460 /nfs/dbraw/zinc/43/34/60/457433460.db2.gz RRSQUYXQGSFISB-YOEHRIQHSA-N 1 0 341.411 3.431 10 5 EGBERO COc1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000374182279 457511968 /nfs/dbraw/zinc/51/19/68/457511968.db2.gz HTAARPCBWHDEBI-HNNXBMFYSA-N 1 0 330.388 3.064 10 5 EGBERO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000361248079 457666103 /nfs/dbraw/zinc/66/61/03/457666103.db2.gz AGYLPQPWFGAGDA-ZDUSSCGKSA-N 1 0 346.383 3.474 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374858375 457720409 /nfs/dbraw/zinc/72/04/09/457720409.db2.gz QLYJUPFYHRHKOR-UGSOOPFHSA-N 1 0 330.359 3.388 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374858353 457720699 /nfs/dbraw/zinc/72/06/99/457720699.db2.gz QLYJUPFYHRHKOR-ACJLOTCBSA-N 1 0 330.359 3.388 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358246001 457884242 /nfs/dbraw/zinc/88/42/42/457884242.db2.gz CRILTVWSTKJDLB-AWEZNQCLSA-N 1 0 340.427 3.416 10 5 EGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358286872 457910236 /nfs/dbraw/zinc/91/02/36/457910236.db2.gz LHSMTZSIWQTMSZ-ZDUSSCGKSA-N 1 0 333.388 3.047 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)[S@@](C)=O ZINC000358318102 457930363 /nfs/dbraw/zinc/93/03/63/457930363.db2.gz LWEYBUQPHSSSMQ-UAGWRWDDSA-N 1 0 344.502 3.212 10 5 EGBERO Cc1c(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000375467269 457940177 /nfs/dbraw/zinc/94/01/77/457940177.db2.gz YAHQPAKOGNAOFS-CQSZACIVSA-N 1 0 328.372 3.153 10 5 EGBERO CS[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+]1CCCC1 ZINC000362009196 458002818 /nfs/dbraw/zinc/00/28/18/458002818.db2.gz AGSMCDGHFNHDQT-BMGDILEWSA-N 1 0 349.500 3.476 10 5 EGBERO Cc1ccc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000371730880 458051748 /nfs/dbraw/zinc/05/17/48/458051748.db2.gz AOENHNQKXLEQHJ-LJQANCHMSA-N 1 0 341.411 3.211 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000430200560 458419959 /nfs/dbraw/zinc/41/99/59/458419959.db2.gz AJCKDEPZICASOR-SCLBCKFNSA-N 1 0 336.432 3.270 10 5 EGBERO Cc1sc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423981879 458530689 /nfs/dbraw/zinc/53/06/89/458530689.db2.gz ZZSUCGSDBUNONL-CYBMUJFWSA-N 1 0 333.413 3.175 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000432366983 458724657 /nfs/dbraw/zinc/72/46/57/458724657.db2.gz DXWJRZXOUYLRCS-BLLLJJGKSA-N 1 0 346.383 3.378 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473516999 458832853 /nfs/dbraw/zinc/83/28/53/458832853.db2.gz FUNLHZGOUPKZPR-CJNGLKHVSA-N 1 0 328.416 3.310 10 5 EGBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006503 458875975 /nfs/dbraw/zinc/87/59/75/458875975.db2.gz CAGDEOZQSZQISG-AUUYWEPGSA-N 1 0 342.395 3.298 10 5 EGBERO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509722 459067800 /nfs/dbraw/zinc/06/78/00/459067800.db2.gz LPZGYYARSTXKBG-BKEDOTJMSA-N 1 0 347.459 3.060 10 5 EGBERO CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000590053203 459073356 /nfs/dbraw/zinc/07/33/56/459073356.db2.gz YGMMLOQUHDYHJU-GUYCJALGSA-N 1 0 343.452 3.459 10 5 EGBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594522011 459078432 /nfs/dbraw/zinc/07/84/32/459078432.db2.gz WWUKOFNVFJCIDD-COXVUDFISA-N 1 0 349.431 3.249 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@H]3CC3(F)F)o2)cc1 ZINC000594969956 459200152 /nfs/dbraw/zinc/20/01/52/459200152.db2.gz AJXFLGPARAKYGH-HNNXBMFYSA-N 1 0 338.310 3.369 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000594981788 459203171 /nfs/dbraw/zinc/20/31/71/459203171.db2.gz YXGURWCVQJMXBE-ZGCXVMDJSA-N 1 0 340.427 3.343 10 5 EGBERO COc1cccc2c1CN(Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000590759988 459208513 /nfs/dbraw/zinc/20/85/13/459208513.db2.gz AHCIMIMVZONFFY-UHFFFAOYSA-N 1 0 328.368 3.170 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)c1ccccn1 ZINC000595049728 459227892 /nfs/dbraw/zinc/22/78/92/459227892.db2.gz NZCXYSWXAQDLKB-UONOGXRCSA-N 1 0 342.399 3.100 10 5 EGBERO CO[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595060695 459231874 /nfs/dbraw/zinc/23/18/74/459231874.db2.gz OBRNOAJCQRIAAS-JCGIZDLHSA-N 1 0 334.416 3.003 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069072 459235599 /nfs/dbraw/zinc/23/55/99/459235599.db2.gz NSFAMRQGYRJFLL-DUVNUKRYSA-N 1 0 340.370 3.320 10 5 EGBERO CCC[C@@H]([NH2+][C@H](COC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000595075606 459238370 /nfs/dbraw/zinc/23/83/70/459238370.db2.gz ZPGJNGWNCMDNAI-QZTJIDSGSA-N 1 0 336.432 3.467 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595087893 459240302 /nfs/dbraw/zinc/24/03/02/459240302.db2.gz TVHJJWXXMHMVPY-FDQGKXFDSA-N 1 0 328.416 3.390 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595092734 459243278 /nfs/dbraw/zinc/24/32/78/459243278.db2.gz ZVKGGKCQUKDPJW-QXRTWZOPSA-N 1 0 330.428 3.199 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000559643151 459271598 /nfs/dbraw/zinc/27/15/98/459271598.db2.gz ZMYURVLCJUFAQJ-HUUCEWRRSA-N 1 0 347.459 3.252 10 5 EGBERO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000523798947 459332184 /nfs/dbraw/zinc/33/21/84/459332184.db2.gz KINXBZBWMYOHML-CQSZACIVSA-N 1 0 348.447 3.220 10 5 EGBERO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595706779 459407449 /nfs/dbraw/zinc/40/74/49/459407449.db2.gz LCJKKMQJBBBRNX-VEVIJQCQSA-N 1 0 339.395 3.240 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892023 459470300 /nfs/dbraw/zinc/47/03/00/459470300.db2.gz OXFPLKUNZMDCSE-RDJZCZTQSA-N 1 0 345.443 3.322 10 5 EGBERO CCc1nc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000561751443 459479793 /nfs/dbraw/zinc/47/97/93/459479793.db2.gz AGJZSZYHJLMQGP-UHFFFAOYSA-N 1 0 330.413 3.427 10 5 EGBERO COc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1[N+](=O)[O-] ZINC000596075192 459509677 /nfs/dbraw/zinc/50/96/77/459509677.db2.gz FLPYZJFCLNMWBU-YPMHNXCESA-N 1 0 325.796 3.296 10 5 EGBERO COc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596097211 459520471 /nfs/dbraw/zinc/52/04/71/459520471.db2.gz CWOIPXYLNVWFJK-NSHDSACASA-N 1 0 327.812 3.224 10 5 EGBERO CCC[N@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141263 459534901 /nfs/dbraw/zinc/53/49/01/459534901.db2.gz HSMUHDFLQRVHOF-GFCCVEGCSA-N 1 0 341.839 3.425 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596439715 459636379 /nfs/dbraw/zinc/63/63/79/459636379.db2.gz GHEIPTZALMNECS-LLVKDONJSA-N 1 0 340.811 3.243 10 5 EGBERO Cc1cc(N2CCC[C@@](O)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596464735 459645889 /nfs/dbraw/zinc/64/58/89/459645889.db2.gz XHWLBLCGWJKKMV-SFHVURJKSA-N 1 0 327.384 3.193 10 5 EGBERO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631909 459678587 /nfs/dbraw/zinc/67/85/87/459678587.db2.gz OQUYZTOHXRLNHG-NVXWUHKLSA-N 1 0 347.459 3.420 10 5 EGBERO CCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000596788324 459762900 /nfs/dbraw/zinc/76/29/00/459762900.db2.gz QGVDDULPHXSFMV-CQSZACIVSA-N 1 0 334.420 3.160 10 5 EGBERO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000593232657 459815335 /nfs/dbraw/zinc/81/53/35/459815335.db2.gz AQUYQSZKKKGUOK-UHFFFAOYSA-N 1 0 328.210 3.159 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)o1 ZINC000597231270 459885001 /nfs/dbraw/zinc/88/50/01/459885001.db2.gz PCMUBIDWQZLXLT-KGLIPLIRSA-N 1 0 328.368 3.323 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000608971989 459896582 /nfs/dbraw/zinc/89/65/82/459896582.db2.gz WVHBOJJDIWFFMV-INIZCTEOSA-N 1 0 346.818 3.314 10 5 EGBERO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000593472722 459900108 /nfs/dbraw/zinc/90/01/08/459900108.db2.gz IZCBWXXBYSPESQ-AWEZNQCLSA-N 1 0 340.427 3.454 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593716967 459960270 /nfs/dbraw/zinc/96/02/70/459960270.db2.gz WGFBIGMJOCGHSJ-QRWLVFNGSA-N 1 0 340.423 3.430 10 5 EGBERO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858141 460081874 /nfs/dbraw/zinc/08/18/74/460081874.db2.gz KIIBWMUCFACNQC-CQSZACIVSA-N 1 0 333.432 3.321 10 5 EGBERO Nc1cc[nH+]c2c1CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000598944183 460097720 /nfs/dbraw/zinc/09/77/20/460097720.db2.gz YQBIRAITXDZTLE-UHFFFAOYSA-N 1 0 338.289 3.154 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000598989501 460119231 /nfs/dbraw/zinc/11/92/31/460119231.db2.gz JHYWVJGLVRRWRE-BOTMBNHJSA-N 1 0 340.305 3.198 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599007252 460125499 /nfs/dbraw/zinc/12/54/99/460125499.db2.gz NDCHWROJQHODSW-RVDMUPIBSA-N 1 0 345.443 3.236 10 5 EGBERO CN(c1ccccc1)c1ccc(C[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000599011241 460125661 /nfs/dbraw/zinc/12/56/61/460125661.db2.gz IGEAQOYMADUUJY-UHFFFAOYSA-N 1 0 327.384 3.099 10 5 EGBERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000610433313 460151462 /nfs/dbraw/zinc/15/14/62/460151462.db2.gz AHJCYJGZHDCUFN-MRXNPFEDSA-N 1 0 331.441 3.363 10 5 EGBERO O=[N+]([O-])c1c(NCC2CC[NH+](C3CC3)CC2)ccc2cnccc21 ZINC000599075189 460153611 /nfs/dbraw/zinc/15/36/11/460153611.db2.gz ZRLCFWNAVCRAFN-UHFFFAOYSA-N 1 0 326.400 3.429 10 5 EGBERO CCC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599092077 460159615 /nfs/dbraw/zinc/15/96/15/460159615.db2.gz FBHIXQYUNULPOS-IAGOWNOFSA-N 1 0 331.416 3.179 10 5 EGBERO C[C@](CO)([NH2+]C[C@H]1CCCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962826 460203167 /nfs/dbraw/zinc/20/31/67/460203167.db2.gz PLRBGCIYBVOIAY-UKRRQHHQSA-N 1 0 328.359 3.217 10 5 EGBERO C[NH+]1CCC(CNc2ccsc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000614977305 460257211 /nfs/dbraw/zinc/25/72/11/460257211.db2.gz PZYGVLCAFXPFTR-UHFFFAOYSA-N 1 0 338.477 3.019 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553479 460273792 /nfs/dbraw/zinc/27/37/92/460273792.db2.gz WPFPBYGJQWCPTA-MJBXVCDLSA-N 1 0 349.456 3.200 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553420 460274084 /nfs/dbraw/zinc/27/40/84/460274084.db2.gz TUMOLLSPEZSQGV-CABCVRRESA-N 1 0 349.456 3.202 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC2)CC1 ZINC000599673560 460305260 /nfs/dbraw/zinc/30/52/60/460305260.db2.gz UNYXENGUUHMRNH-ZDUSSCGKSA-N 1 0 347.415 3.197 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599675570 460305514 /nfs/dbraw/zinc/30/55/14/460305514.db2.gz RWFFNPLHETWKHP-KSSFIOAISA-N 1 0 331.416 3.496 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599790694 460334434 /nfs/dbraw/zinc/33/44/34/460334434.db2.gz IVVBHPBEIPEZTM-HNNXBMFYSA-N 1 0 346.431 3.350 10 5 EGBERO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000619747765 460429186 /nfs/dbraw/zinc/42/91/86/460429186.db2.gz URRUGFYDFWFXIR-UHFFFAOYSA-N 1 0 334.294 3.044 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)o1 ZINC000604478762 460431732 /nfs/dbraw/zinc/43/17/32/460431732.db2.gz JRPWXYAXDZWFOA-SNVBAGLBSA-N 1 0 337.763 3.348 10 5 EGBERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059651 460461827 /nfs/dbraw/zinc/46/18/27/460461827.db2.gz BRDVYTIBVKHBSB-ZFWWWQNUSA-N 1 0 326.400 3.206 10 5 EGBERO CCC1([NH+](C)C)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000601228981 460757621 /nfs/dbraw/zinc/75/76/21/460757621.db2.gz BBQRZNOQKRXZKA-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000601229447 460758633 /nfs/dbraw/zinc/75/86/33/460758633.db2.gz PNGASQWVGVTSBC-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601231670 460759001 /nfs/dbraw/zinc/75/90/01/460759001.db2.gz NGLWGBUFXIOAKN-UHFFFAOYSA-N 1 0 332.404 3.077 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732578855 575278033 /nfs/dbraw/zinc/27/80/33/575278033.db2.gz ZWINYLUCCCUWMU-RYUDHWBXSA-N 1 0 339.823 3.241 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735222057 575619189 /nfs/dbraw/zinc/61/91/89/575619189.db2.gz XCUQHKBQCULZFO-KRWDZBQOSA-N 1 0 340.379 3.335 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000871356339 1296364863 /nfs/dbraw/zinc/36/48/63/1296364863.db2.gz MTTJYCHWDGBZNH-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO CC1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000871741967 1296510654 /nfs/dbraw/zinc/51/06/54/1296510654.db2.gz HLXZZLUKABQOSY-UHFFFAOYSA-N 1 0 346.431 3.467 10 5 EGBERO COc1ccccc1OCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017600 1296657158 /nfs/dbraw/zinc/65/71/58/1296657158.db2.gz CRIHPPQBDPDFGE-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029188 1296675767 /nfs/dbraw/zinc/67/57/67/1296675767.db2.gz OTNVEOXCCBEZOU-ZJUUUORDSA-N 1 0 335.301 3.021 10 5 EGBERO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050213 1296700594 /nfs/dbraw/zinc/70/05/94/1296700594.db2.gz XHDIROQZQLKQLW-LBPRGKRZSA-N 1 0 349.362 3.106 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051587 1296702559 /nfs/dbraw/zinc/70/25/59/1296702559.db2.gz LNOCZHVHWYCUCX-QWHCGFSZSA-N 1 0 330.363 3.058 10 5 EGBERO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872064175 1296710727 /nfs/dbraw/zinc/71/07/27/1296710727.db2.gz CVEOTOCHLAAOPU-ZFWWWQNUSA-N 1 0 332.375 3.297 10 5 EGBERO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCOC1 ZINC000872073656 1296719490 /nfs/dbraw/zinc/71/94/90/1296719490.db2.gz UGZWRSLILKKCLD-RHSMWYFYSA-N 1 0 331.416 3.413 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872082119 1296724577 /nfs/dbraw/zinc/72/45/77/1296724577.db2.gz PSKLOSXNWIMAJG-BFUOFWGJSA-N 1 0 344.386 3.261 10 5 EGBERO C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087603 1296726622 /nfs/dbraw/zinc/72/66/22/1296726622.db2.gz FUOJDNWONURDGR-LBPRGKRZSA-N 1 0 337.395 3.210 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872282037 1296894224 /nfs/dbraw/zinc/89/42/24/1296894224.db2.gz ZSVQCRJNWYVGIT-MSOLQXFVSA-N 1 0 334.416 3.052 10 5 EGBERO COC(=O)c1cncc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000886616125 1303525763 /nfs/dbraw/zinc/52/57/63/1303525763.db2.gz VRCXNQPPWMUFAQ-RYUDHWBXSA-N 1 0 329.356 3.188 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886678306 1303554819 /nfs/dbraw/zinc/55/48/19/1303554819.db2.gz AYBXREPDNWNVLH-RDTXWAMCSA-N 1 0 346.402 3.248 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886678305 1303555249 /nfs/dbraw/zinc/55/52/49/1303555249.db2.gz AYBXREPDNWNVLH-KSSFIOAISA-N 1 0 346.402 3.248 10 5 EGBERO Cc1sc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000893027579 1305667689 /nfs/dbraw/zinc/66/76/89/1305667689.db2.gz WSQLEOINVVBTBT-WCQYABFASA-N 1 0 339.461 3.300 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCc3cccnc3)CC2)cc1 ZINC000929747593 1328685670 /nfs/dbraw/zinc/68/56/70/1328685670.db2.gz DUZOMRFDOVZDAI-UHFFFAOYSA-N 1 0 341.411 3.466 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000858505908 1328783417 /nfs/dbraw/zinc/78/34/17/1328783417.db2.gz QPFULHGLYJLYLV-DOMZBBRYSA-N 1 0 348.399 3.296 10 5 EGBERO CC1(C)OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930605994 1328912012 /nfs/dbraw/zinc/91/20/12/1328912012.db2.gz KEIQMGYCYSQOLG-GFCCVEGCSA-N 1 0 329.194 3.014 10 5 EGBERO Cc1cc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000930732892 1328953029 /nfs/dbraw/zinc/95/30/29/1328953029.db2.gz XIEHVODHLXKYPS-UHFFFAOYSA-N 1 0 346.431 3.432 10 5 EGBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788238 1328971259 /nfs/dbraw/zinc/97/12/59/1328971259.db2.gz QWSALJIXDRPOKY-ZWKOTPCHSA-N 1 0 345.443 3.079 10 5 EGBERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859508375 1329003458 /nfs/dbraw/zinc/00/34/58/1329003458.db2.gz WPHIMHDTTFKPEJ-SFHVURJKSA-N 1 0 341.411 3.160 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922960617 1322662583 /nfs/dbraw/zinc/66/25/83/1322662583.db2.gz HYCUWGRGNZKGDT-KPKJPENVSA-N 1 0 345.424 3.317 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)cccc1[N+](=O)[O-] ZINC000925858715 1325334717 /nfs/dbraw/zinc/33/47/17/1325334717.db2.gz YEEWRTKRPDNUDD-SMDDNHRTSA-N 1 0 331.338 3.238 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000926946685 1327789476 /nfs/dbraw/zinc/78/94/76/1327789476.db2.gz DTSKVAAHKNAEIG-USZNOCQGSA-N 1 0 332.326 3.063 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951938 1327791987 /nfs/dbraw/zinc/79/19/87/1327791987.db2.gz GWIRPPIIWRRUEU-GBIKHYSHSA-N 1 0 345.321 3.100 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000927014136 1327821872 /nfs/dbraw/zinc/82/18/72/1327821872.db2.gz NNPBKXGMKSKZBK-LSDHHAIUSA-N 1 0 334.416 3.282 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC1CCOCC1 ZINC000927074833 1327844803 /nfs/dbraw/zinc/84/48/03/1327844803.db2.gz DFQOMGDYQUWKRG-LBPRGKRZSA-N 1 0 340.445 3.163 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862154278 1329462697 /nfs/dbraw/zinc/46/26/97/1329462697.db2.gz ISKDASOGVIWZFG-CQSZACIVSA-N 1 0 341.411 3.351 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000862435468 1329486499 /nfs/dbraw/zinc/48/64/99/1329486499.db2.gz ZVMANXWLAODYAX-LBPRGKRZSA-N 1 0 348.712 3.338 10 5 EGBERO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000863862822 1329586329 /nfs/dbraw/zinc/58/63/29/1329586329.db2.gz MVTKHWKEQWZJIG-HNNXBMFYSA-N 1 0 341.411 3.351 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nn(C)cc1C(F)F ZINC000865809234 1329741011 /nfs/dbraw/zinc/74/10/11/1329741011.db2.gz ZMZBCUMFOKGNHW-WDZFZDKYSA-N 1 0 336.342 3.459 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000866404372 1330107404 /nfs/dbraw/zinc/10/74/04/1330107404.db2.gz ZLXHBQKITZLXEZ-CQSZACIVSA-N 1 0 335.473 3.296 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000866512249 1330120140 /nfs/dbraw/zinc/12/01/40/1330120140.db2.gz IKRVODOMPLLRSX-XAYKYTGQSA-N 1 0 334.416 3.459 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000868132834 1330253275 /nfs/dbraw/zinc/25/32/75/1330253275.db2.gz OIYMFQCPHXPDNV-ZDUSSCGKSA-N 1 0 334.420 3.111 10 5 EGBERO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001191101224 1367423936 /nfs/dbraw/zinc/42/39/36/1367423936.db2.gz VGAMAMQJRLGNJT-GJZGRUSLSA-N 1 0 338.452 3.015 10 5 EGBERO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC001195798112 1368493019 /nfs/dbraw/zinc/49/30/19/1368493019.db2.gz MYGGAVKWIJVFSM-MRXNPFEDSA-N 1 0 331.441 3.015 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001196411094 1368609803 /nfs/dbraw/zinc/60/98/03/1368609803.db2.gz YGFQHZWDYJCYSM-MRXNPFEDSA-N 1 0 345.443 3.486 10 5 EGBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001186905451 1388026536 /nfs/dbraw/zinc/02/65/36/1388026536.db2.gz GEIWPPAECVAVSC-OWCLPIDISA-N 1 0 340.427 3.478 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(/C=C/[C@@H]2CCC[NH2+]C2)n1 ZINC001119002819 1371263959 /nfs/dbraw/zinc/26/39/59/1371263959.db2.gz XGHBYEQRMFJYCR-GFUIURDCSA-N 1 0 328.372 3.274 10 5 EGBERO Cc1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001127462239 1373129217 /nfs/dbraw/zinc/12/92/17/1373129217.db2.gz OUOVPFJTNQRCPQ-MRXNPFEDSA-N 1 0 339.395 3.364 10 5 EGBERO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001127549263 1373137943 /nfs/dbraw/zinc/13/79/43/1373137943.db2.gz OCQGYNYWQOSOLS-CYBMUJFWSA-N 1 0 345.321 3.425 10 5 EGBERO C/C(=C\C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001327187330 1388429672 /nfs/dbraw/zinc/42/96/72/1388429672.db2.gz GYBHNFLMJSSYDA-NTCAYCPXSA-N 1 0 345.443 3.231 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC=CC1 ZINC001275657234 1378149995 /nfs/dbraw/zinc/14/99/95/1378149995.db2.gz OXQULAGEWDXMBT-UHFFFAOYSA-N 1 0 345.443 3.135 10 5 EGBERO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001294224110 1382429373 /nfs/dbraw/zinc/42/93/73/1382429373.db2.gz RTMIZOZLNPWYNV-QGZVFWFLSA-N 1 0 347.459 3.156 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](C2CCC2)CC1 ZINC001162503262 1382774317 /nfs/dbraw/zinc/77/43/17/1382774317.db2.gz XKMMQRXLEDPROZ-UHFFFAOYSA-N 1 0 329.322 3.288 10 5 EGBERO CC[NH+](CC)CCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001163046754 1382954570 /nfs/dbraw/zinc/95/45/70/1382954570.db2.gz BCWUJYHSNODXIK-UHFFFAOYSA-N 1 0 337.811 3.335 10 5 EGBERO CC(C)[N@H+](C)C[C@H](C)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001163428460 1383049833 /nfs/dbraw/zinc/04/98/33/1383049833.db2.gz VKANSJNVAUUJLC-NSHDSACASA-N 1 0 336.823 3.359 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c(Cl)c1 ZINC001164039606 1383149296 /nfs/dbraw/zinc/14/92/96/1383149296.db2.gz VICCOMCVSLYYPA-HNNXBMFYSA-N 1 0 333.775 3.105 10 5 EGBERO CCO[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC001164102522 1383156883 /nfs/dbraw/zinc/15/68/83/1383156883.db2.gz AVRGPKRMDQAKHM-VIFPVBQESA-N 1 0 336.219 3.280 10 5 EGBERO Cc1[nH]c(C2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH+]c1C ZINC001164158546 1383161623 /nfs/dbraw/zinc/16/16/23/1383161623.db2.gz MVWJJUZNRDTGCV-UHFFFAOYSA-N 1 0 340.387 3.195 10 5 EGBERO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC[N+](=O)[O-] ZINC001167233870 1383572084 /nfs/dbraw/zinc/57/20/84/1383572084.db2.gz RYAQLQDTASLELV-UHFFFAOYSA-N 1 0 335.379 3.402 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001306984438 1383929908 /nfs/dbraw/zinc/92/99/08/1383929908.db2.gz YXZZZOJBFUQSAF-ZIAGYGMSSA-N 1 0 349.431 3.365 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC001307529797 1383998782 /nfs/dbraw/zinc/99/87/82/1383998782.db2.gz LKLQQJRUQWSKAF-UHFFFAOYSA-N 1 0 334.416 3.399 10 5 EGBERO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001307886841 1384050911 /nfs/dbraw/zinc/05/09/11/1384050911.db2.gz CVBXIEUJZVCURP-HNNXBMFYSA-N 1 0 325.840 3.410 10 5 EGBERO C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001308037976 1384078104 /nfs/dbraw/zinc/07/81/04/1384078104.db2.gz AVAABESOZHHBJC-MRXNPFEDSA-N 1 0 325.412 3.474 10 5 EGBERO Cc1csc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001308057870 1384082253 /nfs/dbraw/zinc/08/22/53/1384082253.db2.gz SQBOPVCYMIAKOV-GFCCVEGCSA-N 1 0 348.384 3.257 10 5 EGBERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001308119072 1384096299 /nfs/dbraw/zinc/09/62/99/1384096299.db2.gz YFOXXGOVDNWOTL-GOSISDBHSA-N 1 0 348.830 3.374 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001308159925 1384102800 /nfs/dbraw/zinc/10/28/00/1384102800.db2.gz LTWQHSNMAQISAH-MSOLQXFVSA-N 1 0 334.416 3.397 10 5 EGBERO CC(C)[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)O ZINC001170104971 1384236567 /nfs/dbraw/zinc/23/65/67/1384236567.db2.gz KQHJTEPBMIHDIE-FZMZJTMJSA-N 1 0 348.403 3.091 10 5 EGBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC001316819810 1384615756 /nfs/dbraw/zinc/61/57/56/1384615756.db2.gz QCJXIYXAEOXVIR-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC(C)(C)C(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001316927540 1384698550 /nfs/dbraw/zinc/69/85/50/1384698550.db2.gz SHRKIMVBNGDJGA-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO CCC[N@H+](CCNC(=O)c1coc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317542157 1385282631 /nfs/dbraw/zinc/28/26/31/1385282631.db2.gz MVVJWNBZTNIWSC-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001176761195 1385687457 /nfs/dbraw/zinc/68/74/57/1385687457.db2.gz RAWHQJQKNFRMJO-KRWDZBQOSA-N 1 0 334.416 3.445 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)cc1[N+](=O)[O-] ZINC001331971042 1389929451 /nfs/dbraw/zinc/92/94/51/1389929451.db2.gz JBUQRAUQWFLKEC-MJEQTWJJSA-N 1 0 329.404 3.014 10 5 EGBERO Cc1ccc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001332128697 1389999974 /nfs/dbraw/zinc/99/99/74/1389999974.db2.gz XOOZQYOSWVBKQB-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1(C)CCCC1 ZINC001481227385 1393151398 /nfs/dbraw/zinc/15/13/98/1393151398.db2.gz RUVVBLLXXVXCRY-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001691161500 1405096777 /nfs/dbraw/zinc/09/67/77/1405096777.db2.gz KWXZGENABRHQTA-KOMQPUFPSA-N 1 0 345.443 3.160 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C12CCC(CC1)CC2 ZINC001691615045 1405358398 /nfs/dbraw/zinc/35/83/98/1405358398.db2.gz HZAGFPZOFPUODT-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)=C1CCC1 ZINC001699180508 1412556325 /nfs/dbraw/zinc/55/63/25/1412556325.db2.gz NIQAARJECVCROB-UHFFFAOYSA-N 1 0 337.445 3.095 10 5 EGBERO CCCC1(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001714558429 1419286263 /nfs/dbraw/zinc/28/62/63/1419286263.db2.gz XHHWNYBRBAPIHX-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1=CCCCC1 ZINC001715722293 1420311523 /nfs/dbraw/zinc/31/15/23/1420311523.db2.gz HJDHGFUSTIPXSV-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000127770063 205116803 /nfs/dbraw/zinc/11/68/03/205116803.db2.gz SWVHADSEQZLSPP-CYBMUJFWSA-N 1 0 334.420 3.208 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000156020852 206050556 /nfs/dbraw/zinc/05/05/56/206050556.db2.gz PADARYAXXCDVTK-CJNGLKHVSA-N 1 0 334.420 3.097 10 5 EGBERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174451065 207021152 /nfs/dbraw/zinc/02/11/52/207021152.db2.gz MBTDPCCHPPNYIC-PWSUYJOCSA-N 1 0 340.811 3.195 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000174748283 207052163 /nfs/dbraw/zinc/05/21/63/207052163.db2.gz HPLQZYOJPLFVRB-ZBFHGGJFSA-N 1 0 346.431 3.382 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1CCCC1 ZINC000184670448 533224118 /nfs/dbraw/zinc/22/41/18/533224118.db2.gz SEDQXFZONZIYQD-GFCCVEGCSA-N 1 0 335.404 3.100 10 5 EGBERO Cc1c(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043347680 140824667 /nfs/dbraw/zinc/82/46/67/140824667.db2.gz KNEIFMMSRWWSSR-MRXNPFEDSA-N 1 0 342.399 3.328 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(-n3ccnc3)cs1)CC2 ZINC000346205074 141179597 /nfs/dbraw/zinc/17/95/97/141179597.db2.gz QMFAVBBUXJGTFT-UHFFFAOYSA-N 1 0 340.408 3.400 10 5 EGBERO COc1cc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925206 141218577 /nfs/dbraw/zinc/21/85/77/141218577.db2.gz GSLDTBJJIAQUNC-HOCLYGCPSA-N 1 0 347.459 3.346 10 5 EGBERO Cc1c(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000341469346 142637908 /nfs/dbraw/zinc/63/79/08/142637908.db2.gz YLNFXNILTLVWGX-CHWSQXEVSA-N 1 0 334.420 3.288 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000184735211 144098406 /nfs/dbraw/zinc/09/84/06/144098406.db2.gz SBHLQEVBNZQHLV-HNNXBMFYSA-N 1 0 328.416 3.091 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000185433007 144112374 /nfs/dbraw/zinc/11/23/74/144112374.db2.gz HTXDODCGKRNIFU-AEFFLSMTSA-N 1 0 347.459 3.106 10 5 EGBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347004553 156240149 /nfs/dbraw/zinc/24/01/49/156240149.db2.gz CCRJDGOOZSCWRA-AWEZNQCLSA-N 1 0 345.424 3.118 10 5 EGBERO COc1c(C)cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1C ZINC000348921019 156288142 /nfs/dbraw/zinc/28/81/42/156288142.db2.gz MHUFTWHQHHUURH-UHFFFAOYSA-N 1 0 329.400 3.186 10 5 EGBERO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368770937 157286254 /nfs/dbraw/zinc/28/62/54/157286254.db2.gz UFMMNBNZEKMPPU-HNNXBMFYSA-N 1 0 349.431 3.062 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249106317 163057070 /nfs/dbraw/zinc/05/70/70/163057070.db2.gz QLCWQNLGJMBRIG-HOCLYGCPSA-N 1 0 348.447 3.406 10 5 EGBERO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1cccc(OC)c1 ZINC000344431702 164177267 /nfs/dbraw/zinc/17/72/67/164177267.db2.gz KVIKAKAHDCEGQH-QGZVFWFLSA-N 1 0 344.415 3.493 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000266431515 287069309 /nfs/dbraw/zinc/06/93/09/287069309.db2.gz DIFWCLBHXNTTJP-OLZOCXBDSA-N 1 0 335.404 3.255 10 5 EGBERO COc1ccc(OCC[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000351970583 165174155 /nfs/dbraw/zinc/17/41/55/165174155.db2.gz FRUSTWPTQQJMAP-UHFFFAOYSA-N 1 0 346.383 3.123 10 5 EGBERO CC1(C2CC2)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000352188084 165274696 /nfs/dbraw/zinc/27/46/96/165274696.db2.gz FFRVKRNQKRLTQS-UHFFFAOYSA-N 1 0 332.400 3.473 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000359080568 167061308 /nfs/dbraw/zinc/06/13/08/167061308.db2.gz GDNFIFPFJMFKNW-HNNXBMFYSA-N 1 0 332.379 3.461 10 5 EGBERO CO[C@@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000359415326 167150622 /nfs/dbraw/zinc/15/06/22/167150622.db2.gz ICMWIJWYZOOYGG-RBUKOAKNSA-N 1 0 342.395 3.079 10 5 EGBERO Cc1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000365143683 168027834 /nfs/dbraw/zinc/02/78/34/168027834.db2.gz WLGCGKKEPCBAJW-INIZCTEOSA-N 1 0 328.416 3.328 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+]4CCC3CC4)o2)c1 ZINC000367671240 168257055 /nfs/dbraw/zinc/25/70/55/168257055.db2.gz USDLYVGBEDFTIF-UHFFFAOYSA-N 1 0 327.384 3.135 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000174472816 265052926 /nfs/dbraw/zinc/05/29/26/265052926.db2.gz BJUDOGANWLMJCM-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000250137109 266262704 /nfs/dbraw/zinc/26/27/04/266262704.db2.gz YHDNYVWZVMRCMJ-KZNAEPCWSA-N 1 0 326.396 3.433 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC1CC[NH+](C)CC1 ZINC000278276055 267976874 /nfs/dbraw/zinc/97/68/74/267976874.db2.gz YTNNHIFSFIUHKF-UHFFFAOYSA-N 1 0 339.823 3.018 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279368913 275325895 /nfs/dbraw/zinc/32/58/95/275325895.db2.gz FJUFQKBGXSWSHA-LLVKDONJSA-N 1 0 327.812 3.017 10 5 EGBERO CN(c1ccc([N+](=O)[O-])c2cccnc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286536036 276013662 /nfs/dbraw/zinc/01/36/62/276013662.db2.gz YWALMNWTYOAJHY-PBWFPOADSA-N 1 0 326.400 3.204 10 5 EGBERO CC[N@H+](CCC1CCN(c2ccncc2[N+](=O)[O-])CC1)CC1CC1 ZINC000356794916 276122611 /nfs/dbraw/zinc/12/26/11/276122611.db2.gz PDNJNUNTXIHHSP-UHFFFAOYSA-N 1 0 332.448 3.328 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462632 276225399 /nfs/dbraw/zinc/22/53/99/276225399.db2.gz PONIBXKPODETCK-DOMZBBRYSA-N 1 0 325.840 3.410 10 5 EGBERO C[N@@H+]1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000289459008 276342253 /nfs/dbraw/zinc/34/22/53/276342253.db2.gz VSHVIACDZVNEIH-ZWKOTPCHSA-N 1 0 347.365 3.408 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341231263 276377049 /nfs/dbraw/zinc/37/70/49/276377049.db2.gz UZPVGCAHUNMTTG-GASCZTMLSA-N 1 0 335.448 3.346 10 5 EGBERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000289755377 276388794 /nfs/dbraw/zinc/38/87/94/276388794.db2.gz RLDAUGVSJMAKCK-QWRGUYRKSA-N 1 0 340.811 3.195 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000291805261 276693725 /nfs/dbraw/zinc/69/37/25/276693725.db2.gz DZSLEOUZOLQEPY-OAHLLOKOSA-N 1 0 340.427 3.455 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000291858381 276700391 /nfs/dbraw/zinc/70/03/91/276700391.db2.gz HTDOQJHNHBPCLM-CQSZACIVSA-N 1 0 326.400 3.065 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000162518481 307913891 /nfs/dbraw/zinc/91/38/91/307913891.db2.gz KEXDHSSFWXLCGU-HUUCEWRRSA-N 1 0 349.431 3.346 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248388377 308001737 /nfs/dbraw/zinc/00/17/37/308001737.db2.gz DSDQLCMPKIBWAL-KYJSFNMBSA-N 1 0 347.459 3.008 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000296491729 308433516 /nfs/dbraw/zinc/43/35/16/308433516.db2.gz ORVBACAYWPKVDT-YYWXWVFPSA-N 1 0 342.386 3.300 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000299688239 308684524 /nfs/dbraw/zinc/68/45/24/308684524.db2.gz YQWPYTVCJFNFQD-KRWDZBQOSA-N 1 0 345.374 3.075 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415700163 309141395 /nfs/dbraw/zinc/14/13/95/309141395.db2.gz LOETWMRHDHJPQM-DOMZBBRYSA-N 1 0 346.431 3.108 10 5 EGBERO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415700174 309141418 /nfs/dbraw/zinc/14/14/18/309141418.db2.gz LOPDKSLWNYWLBM-UHFFFAOYSA-N 1 0 334.420 3.108 10 5 EGBERO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000415704568 309141472 /nfs/dbraw/zinc/14/14/72/309141472.db2.gz SFKMNFUSSGCHQO-VXGBXAGGSA-N 1 0 334.420 3.106 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c(F)c1 ZINC000418089374 309234941 /nfs/dbraw/zinc/23/49/41/309234941.db2.gz CCEKIEWVWWPVBS-AWEZNQCLSA-N 1 0 332.331 3.054 10 5 EGBERO Cc1cc(Cc2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)ccc1[N+](=O)[O-] ZINC000420486403 309287963 /nfs/dbraw/zinc/28/79/63/309287963.db2.gz FCJWXRQPMOAAOW-JSGCOSHPSA-N 1 0 330.388 3.075 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000421530494 309328548 /nfs/dbraw/zinc/32/85/48/309328548.db2.gz UWHMXSIYLKELGF-UHFFFAOYSA-N 1 0 333.432 3.062 10 5 EGBERO CC[C@@H](C)[NH2+][C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000450527950 310128376 /nfs/dbraw/zinc/12/83/76/310128376.db2.gz IXQDKMNYKWLBQW-ABAIWWIYSA-N 1 0 343.387 3.027 10 5 EGBERO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452028748 310208205 /nfs/dbraw/zinc/20/82/05/310208205.db2.gz COFQNJKGNJDKDS-UHFFFAOYSA-N 1 0 345.365 3.096 10 5 EGBERO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000452107181 310212596 /nfs/dbraw/zinc/21/25/96/310212596.db2.gz RQRRHKRDLQGPPK-OAHLLOKOSA-N 1 0 336.432 3.234 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000453307321 310270262 /nfs/dbraw/zinc/27/02/62/310270262.db2.gz KEBZVXVFURSDNK-ZDUSSCGKSA-N 1 0 340.395 3.410 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000468622014 310691432 /nfs/dbraw/zinc/69/14/32/310691432.db2.gz NRQHHVBNTMWRHR-QPEQYQDCSA-N 1 0 330.359 3.419 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474030000 310783879 /nfs/dbraw/zinc/78/38/79/310783879.db2.gz GUZVSDGXTSACOA-ARFHVFGLSA-N 1 0 334.416 3.288 10 5 EGBERO Cc1ccc(O)c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000487174035 311013688 /nfs/dbraw/zinc/01/36/88/311013688.db2.gz WUDIFSQPEDGMRJ-UHFFFAOYSA-N 1 0 341.289 3.312 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000487718754 311035290 /nfs/dbraw/zinc/03/52/90/311035290.db2.gz FPWCMGUGUHEQAR-GJZGRUSLSA-N 1 0 348.447 3.138 10 5 EGBERO C[N@H+](CC1CC1)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488126854 311052382 /nfs/dbraw/zinc/05/23/82/311052382.db2.gz OEDGVUDEIOYCGK-OAHLLOKOSA-N 1 0 340.427 3.311 10 5 EGBERO CC[NH+](CC)CC1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000508239255 312091698 /nfs/dbraw/zinc/09/16/98/312091698.db2.gz ZLOHUFGIQLKVRX-UHFFFAOYSA-N 1 0 339.411 3.301 10 5 EGBERO C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000514701527 312239533 /nfs/dbraw/zinc/23/95/33/312239533.db2.gz ZQSDGZAFNRUJSZ-YJBOKZPZSA-N 1 0 345.443 3.175 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515870311 312302049 /nfs/dbraw/zinc/30/20/49/312302049.db2.gz VLMLFNJGPLFCRM-UKRRQHHQSA-N 1 0 331.416 3.057 10 5 EGBERO COC1CCC(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531979341 313739082 /nfs/dbraw/zinc/73/90/82/313739082.db2.gz BPNFVWPZDYQMDF-TUBUQKNSSA-N 1 0 349.431 3.107 10 5 EGBERO Cc1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1C ZINC000559857439 315647766 /nfs/dbraw/zinc/64/77/66/315647766.db2.gz PLQSLJVCNQVOCG-GFCCVEGCSA-N 1 0 327.388 3.011 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCOC4(CCC4)C3)c2c1 ZINC000562522500 315845019 /nfs/dbraw/zinc/84/50/19/315845019.db2.gz JYEJMYLDDKAJJQ-AWEZNQCLSA-N 1 0 329.400 3.310 10 5 EGBERO CC[C@@H]1C[C@@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000564120012 316115225 /nfs/dbraw/zinc/11/52/25/316115225.db2.gz FTXVAHOXVZKYAU-XJKSGUPXSA-N 1 0 331.416 3.413 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000570390045 317048299 /nfs/dbraw/zinc/04/82/99/317048299.db2.gz GAGDHEANRLCAPA-OAHLLOKOSA-N 1 0 326.824 3.322 10 5 EGBERO CC(C)Oc1nc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000577005140 324724635 /nfs/dbraw/zinc/72/46/35/324724635.db2.gz QRFHHPBWHZUSRH-UHFFFAOYSA-N 1 0 348.447 3.089 10 5 EGBERO C[NH+](C)Cc1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578568704 324986685 /nfs/dbraw/zinc/98/66/85/324986685.db2.gz AKHSKNACHNUJQS-UHFFFAOYSA-N 1 0 338.367 3.390 10 5 EGBERO O=C(NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000580465356 325255007 /nfs/dbraw/zinc/25/50/07/325255007.db2.gz GAQNLDJNIJSMHC-AWEZNQCLSA-N 1 0 345.424 3.053 10 5 EGBERO CCOC(=O)C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000003026222 452740290 /nfs/dbraw/zinc/74/02/90/452740290.db2.gz XIYFLVJAUGRHML-ZDUSSCGKSA-N 1 0 328.796 3.316 10 5 EGBERO CCN(CC)C(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075675299 453916591 /nfs/dbraw/zinc/91/65/91/453916591.db2.gz QWDFZDKDEWEMCH-CQSZACIVSA-N 1 0 333.432 3.236 10 5 EGBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000041888286 453982863 /nfs/dbraw/zinc/98/28/63/453982863.db2.gz VHLRCTIWGASMKN-UHFFFAOYSA-N 1 0 331.347 3.195 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000058161324 454166861 /nfs/dbraw/zinc/16/68/61/454166861.db2.gz XKLGQXPEZFHQRI-NJELEJDNSA-N 1 0 334.322 3.209 10 5 EGBERO Cc1csc(N2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000058168043 454167925 /nfs/dbraw/zinc/16/79/25/454167925.db2.gz UXOISYHUQSAUCL-UHFFFAOYSA-N 1 0 346.456 3.115 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120404980 454297109 /nfs/dbraw/zinc/29/71/09/454297109.db2.gz GTXUGHGGJUOIKE-IUODEOHRSA-N 1 0 334.420 3.097 10 5 EGBERO CC[C@H](NC(=O)NC[C@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090522546 454316305 /nfs/dbraw/zinc/31/63/05/454316305.db2.gz PDCGBGJPSIPVQV-BBRMVZONSA-N 1 0 336.436 3.075 10 5 EGBERO CC[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090548881 454318785 /nfs/dbraw/zinc/31/87/85/454318785.db2.gz JEODCKDXIRVWBV-PBHICJAKSA-N 1 0 348.447 3.077 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000097288917 454432264 /nfs/dbraw/zinc/43/22/64/454432264.db2.gz XKLGQXPEZFHQRI-MAVJXHJTSA-N 1 0 334.322 3.209 10 5 EGBERO O=[N+]([O-])c1cc(F)c(N2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000121687209 454465359 /nfs/dbraw/zinc/46/53/59/454465359.db2.gz IJHPOCVSKVYZGA-UHFFFAOYSA-N 1 0 325.359 3.185 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCN3C)o2)c([N+](=O)[O-])c1 ZINC000102424817 454505280 /nfs/dbraw/zinc/50/52/80/454505280.db2.gz JGSJMHPLKZJQBU-ZDUSSCGKSA-N 1 0 345.399 3.047 10 5 EGBERO CCCC[NH+]1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000080594072 454603386 /nfs/dbraw/zinc/60/33/86/454603386.db2.gz URZZQHKMMUKYPF-UHFFFAOYSA-N 1 0 325.384 3.419 10 5 EGBERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)no1 ZINC000092813904 454640845 /nfs/dbraw/zinc/64/08/45/454640845.db2.gz CNQLWZUASKMHDB-CQSZACIVSA-N 1 0 330.388 3.049 10 5 EGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000105896015 454665438 /nfs/dbraw/zinc/66/54/38/454665438.db2.gz DOARICAXSBMVOL-INIZCTEOSA-N 1 0 344.415 3.161 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)nc1 ZINC000093534441 454720489 /nfs/dbraw/zinc/72/04/89/454720489.db2.gz QCRVWVSQZJIRLX-BQFCYCMXSA-N 1 0 338.411 3.280 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000153600730 454811967 /nfs/dbraw/zinc/81/19/67/454811967.db2.gz BPDSZKRZJFWCND-UHFFFAOYSA-N 1 0 334.416 3.112 10 5 EGBERO CC(C)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179467481 455050275 /nfs/dbraw/zinc/05/02/75/455050275.db2.gz UJXHRFVJCGHSQX-HNNXBMFYSA-N 1 0 329.404 3.147 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000171967683 455104649 /nfs/dbraw/zinc/10/46/49/455104649.db2.gz CLWHOOYYQBPNAD-SMDDNHRTSA-N 1 0 331.397 3.112 10 5 EGBERO CN(C)C(=O)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180300699 455156095 /nfs/dbraw/zinc/15/60/95/455156095.db2.gz QRRRUSFUNRANJN-LJQANCHMSA-N 1 0 341.411 3.142 10 5 EGBERO COCC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180557349 455196104 /nfs/dbraw/zinc/19/61/04/455196104.db2.gz IGKMXODQWQLZJU-RBUKOAKNSA-N 1 0 344.411 3.061 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180608415 455206895 /nfs/dbraw/zinc/20/68/95/455206895.db2.gz WBYQCOPCZPNAAK-ZBFHGGJFSA-N 1 0 343.431 3.195 10 5 EGBERO Cc1sc(C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000237698512 455209380 /nfs/dbraw/zinc/20/93/80/455209380.db2.gz ZUQIKVAWKTVBJH-UHFFFAOYSA-N 1 0 325.434 3.007 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000183477430 455297632 /nfs/dbraw/zinc/29/76/32/455297632.db2.gz DPGYZXJQOLQSIN-INIZCTEOSA-N 1 0 339.395 3.078 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181528186 455350187 /nfs/dbraw/zinc/35/01/87/455350187.db2.gz OBJDXUJVFJOQGL-ACJLOTCBSA-N 1 0 345.443 3.425 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000181536118 455350807 /nfs/dbraw/zinc/35/08/07/455350807.db2.gz KBJQMTZRPCATQJ-RDJZCZTQSA-N 1 0 333.432 3.427 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181551951 455353965 /nfs/dbraw/zinc/35/39/65/455353965.db2.gz XTMUZXBWLCFFDX-SFHVURJKSA-N 1 0 341.411 3.260 10 5 EGBERO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1F ZINC000182019443 455418523 /nfs/dbraw/zinc/41/85/23/455418523.db2.gz RRYVBOXYHRFGHH-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)OCCCO1 ZINC000192249564 455581515 /nfs/dbraw/zinc/58/15/15/455581515.db2.gz WKRMMRCKHHMAHA-UHFFFAOYSA-N 1 0 332.356 3.098 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192712483 455676347 /nfs/dbraw/zinc/67/63/47/455676347.db2.gz KUOLTEKUNUKXDF-ROUUACIJSA-N 1 0 342.395 3.304 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000194503398 455851049 /nfs/dbraw/zinc/85/10/49/455851049.db2.gz FCJGYRIPWLGBJD-UHFFFAOYSA-N 1 0 345.443 3.203 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296547037 455969810 /nfs/dbraw/zinc/96/98/10/455969810.db2.gz GSQVMHZPYXTCQE-UHFFFAOYSA-N 1 0 346.431 3.350 10 5 EGBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000601101564 460710382 /nfs/dbraw/zinc/71/03/82/460710382.db2.gz OPELIUUZCOKNJF-UHFFFAOYSA-N 1 0 349.357 3.068 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000301439138 456116393 /nfs/dbraw/zinc/11/63/93/456116393.db2.gz LRRKAOKHHRMRRJ-GFCCVEGCSA-N 1 0 325.384 3.419 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921935 456315377 /nfs/dbraw/zinc/31/53/77/456315377.db2.gz TURUEJFOVHJARS-CHWSQXEVSA-N 1 0 344.415 3.069 10 5 EGBERO CCN(CC)C(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000352814583 456331230 /nfs/dbraw/zinc/33/12/30/456331230.db2.gz IVRFOWNDTJRCIR-CLFYSBASSA-N 1 0 345.443 3.188 10 5 EGBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275876813 456340335 /nfs/dbraw/zinc/34/03/35/456340335.db2.gz WCVKDPSIQZCGQK-HNNXBMFYSA-N 1 0 349.434 3.260 10 5 EGBERO COCCOCc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000291078121 456520255 /nfs/dbraw/zinc/52/02/55/456520255.db2.gz UHCSORUDWGMSOD-UHFFFAOYSA-N 1 0 344.411 3.356 10 5 EGBERO CC1(C)C[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000348204238 456534979 /nfs/dbraw/zinc/53/49/79/456534979.db2.gz FZEQHTIWPKAQSB-KBXCAEBGSA-N 1 0 341.411 3.078 10 5 EGBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226676 456548595 /nfs/dbraw/zinc/54/85/95/456548595.db2.gz IBHMTHZXEODMPT-MFKMUULPSA-N 1 0 345.321 3.196 10 5 EGBERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226674 456548768 /nfs/dbraw/zinc/54/87/68/456548768.db2.gz IBHMTHZXEODMPT-GWCFXTLKSA-N 1 0 345.321 3.196 10 5 EGBERO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000326741601 456699520 /nfs/dbraw/zinc/69/95/20/456699520.db2.gz VANWISBXCQXEFP-ZMSDIMECSA-N 1 0 334.416 3.119 10 5 EGBERO CO[C@H](C)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353766705 456897969 /nfs/dbraw/zinc/89/79/69/456897969.db2.gz IBEMUHHRKJUYRE-CQSZACIVSA-N 1 0 346.431 3.241 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(Br)s2)cc1 ZINC000359948351 457165331 /nfs/dbraw/zinc/16/53/31/457165331.db2.gz DJVWDIXQBDVLJG-UHFFFAOYSA-N 1 0 342.218 3.146 10 5 EGBERO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342295208 457218952 /nfs/dbraw/zinc/21/89/52/457218952.db2.gz IVUJGTDNJPINOF-KRWDZBQOSA-N 1 0 334.347 3.090 10 5 EGBERO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342295209 457218984 /nfs/dbraw/zinc/21/89/84/457218984.db2.gz IVUJGTDNJPINOF-QGZVFWFLSA-N 1 0 334.347 3.090 10 5 EGBERO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000347333692 457358821 /nfs/dbraw/zinc/35/88/21/457358821.db2.gz CJKJARPKGHKIGA-SJKOYZFVSA-N 1 0 340.383 3.058 10 5 EGBERO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(C2CCCC2)no1 ZINC000352566428 457470864 /nfs/dbraw/zinc/47/08/64/457470864.db2.gz ZKZQYSVZHZTTOY-UHFFFAOYSA-N 1 0 330.388 3.310 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000374752247 457700340 /nfs/dbraw/zinc/70/03/40/457700340.db2.gz PKSYCQXKEQQCIV-LESCRADOSA-N 1 0 348.443 3.122 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374780090 457705625 /nfs/dbraw/zinc/70/56/25/457705625.db2.gz QMTXCYMLJQFFLA-GOOCMWNKSA-N 1 0 344.390 3.378 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000374850464 457720079 /nfs/dbraw/zinc/72/00/79/457720079.db2.gz MGAVRXJTZKQHKS-ZXFUBFMLSA-N 1 0 326.400 3.239 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210981 457861175 /nfs/dbraw/zinc/86/11/75/457861175.db2.gz YMHOAIQVYVHXKM-IRWJRLHMSA-N 1 0 331.416 3.035 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000446101637 458147919 /nfs/dbraw/zinc/14/79/19/458147919.db2.gz VGOVLJXOOHKRLL-UHFFFAOYSA-N 1 0 339.823 3.161 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3ccccc3C2)n1 ZINC000447510493 458301907 /nfs/dbraw/zinc/30/19/07/458301907.db2.gz PHJJYPMUKZIDKU-RCCFBDPRSA-N 1 0 340.427 3.422 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000468634553 458529817 /nfs/dbraw/zinc/52/98/17/458529817.db2.gz FUITWEWLNOHFQT-ZGUWOUCSSA-N 1 0 340.379 3.428 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000441458565 458948255 /nfs/dbraw/zinc/94/82/55/458948255.db2.gz OXWFVMPXWLNGOF-GOSISDBHSA-N 1 0 334.416 3.397 10 5 EGBERO CC[NH+](CC)CC1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000467733867 458984613 /nfs/dbraw/zinc/98/46/13/458984613.db2.gz ZWWPNROSPZDUCT-UHFFFAOYSA-N 1 0 339.411 3.301 10 5 EGBERO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478047035 459075247 /nfs/dbraw/zinc/07/52/47/459075247.db2.gz LACHIXZXYDDPFT-INIZCTEOSA-N 1 0 334.395 3.130 10 5 EGBERO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592845 459102633 /nfs/dbraw/zinc/10/26/33/459102633.db2.gz ZFXVFURIWZTRJX-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000577969230 459125050 /nfs/dbraw/zinc/12/50/50/459125050.db2.gz CNGVURHHNVSNIO-LBPRGKRZSA-N 1 0 339.823 3.017 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000594957045 459192546 /nfs/dbraw/zinc/19/25/46/459192546.db2.gz LZDUBAJGPYLROT-UHFFFAOYSA-N 1 0 326.400 3.188 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCO[C@H]3CC3(F)F)o2)c1 ZINC000594971286 459200668 /nfs/dbraw/zinc/20/06/68/459200668.db2.gz ZIRXAEZKOIUEDC-HNNXBMFYSA-N 1 0 338.310 3.369 10 5 EGBERO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595062947 459233217 /nfs/dbraw/zinc/23/32/17/459233217.db2.gz BHGCOEOCLIYDBJ-MSOLQXFVSA-N 1 0 348.443 3.348 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000595062275 459233471 /nfs/dbraw/zinc/23/34/71/459233471.db2.gz VGESQQOIBITQSC-CQSZACIVSA-N 1 0 341.411 3.390 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000595076026 459238636 /nfs/dbraw/zinc/23/86/36/459238636.db2.gz CPGDWUPTQKSMPY-MXSMSXNCSA-N 1 0 340.427 3.444 10 5 EGBERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000595231419 459259222 /nfs/dbraw/zinc/25/92/22/459259222.db2.gz SPKKSZHXEIJGGB-LLVKDONJSA-N 1 0 348.325 3.109 10 5 EGBERO CC[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595423156 459296217 /nfs/dbraw/zinc/29/62/17/459296217.db2.gz ZRHZEXUHKZJMAR-BSWAZPDLSA-N 1 0 331.416 3.083 10 5 EGBERO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000523798946 459333277 /nfs/dbraw/zinc/33/32/77/459333277.db2.gz KINXBZBWMYOHML-AWEZNQCLSA-N 1 0 348.447 3.220 10 5 EGBERO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595581218 459354256 /nfs/dbraw/zinc/35/42/56/459354256.db2.gz KYUQSIMRKRRZNT-GJZGRUSLSA-N 1 0 348.447 3.075 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CCF)C3)o2)cc1 ZINC000595754779 459426955 /nfs/dbraw/zinc/42/69/55/459426955.db2.gz BULYXKDKUJFSQN-GFCCVEGCSA-N 1 0 334.351 3.216 10 5 EGBERO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000591754034 459429421 /nfs/dbraw/zinc/42/94/21/459429421.db2.gz WWIVXPRSKFXOER-MRXNPFEDSA-N 1 0 349.431 3.108 10 5 EGBERO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC(F)CC1 ZINC000595818052 459451481 /nfs/dbraw/zinc/45/14/81/459451481.db2.gz CSYXSNBMNDGIMX-VWLISTAJSA-N 1 0 349.406 3.207 10 5 EGBERO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595820780 459452127 /nfs/dbraw/zinc/45/21/27/459452127.db2.gz WGVFIHGDIMHZCI-IWMBGFJWSA-N 1 0 337.395 3.428 10 5 EGBERO COc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485747734 459468317 /nfs/dbraw/zinc/46/83/17/459468317.db2.gz VYRKWHGHXZUSOO-UHFFFAOYSA-N 1 0 341.411 3.316 10 5 EGBERO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141611 459534730 /nfs/dbraw/zinc/53/47/30/459534730.db2.gz HWGFDTNQTQEDAA-LLVKDONJSA-N 1 0 327.812 3.177 10 5 EGBERO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592378489 459585602 /nfs/dbraw/zinc/58/56/02/459585602.db2.gz AMMSIKSLJAQVJW-YPMHNXCESA-N 1 0 338.379 3.334 10 5 EGBERO Cc1ccnc([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572852823 459586195 /nfs/dbraw/zinc/58/61/95/459586195.db2.gz OBHXREGNSKIGGG-OAHLLOKOSA-N 1 0 327.384 3.167 10 5 EGBERO CC(C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000592397529 459592787 /nfs/dbraw/zinc/59/27/87/459592787.db2.gz MZLPWXMAAHZPIT-VQIMIIECSA-N 1 0 348.443 3.084 10 5 EGBERO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592570453 459632609 /nfs/dbraw/zinc/63/26/09/459632609.db2.gz KLZRCLKTKFKLDC-MRXNPFEDSA-N 1 0 331.416 3.123 10 5 EGBERO COC(=O)C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000596491322 459655243 /nfs/dbraw/zinc/65/52/43/459655243.db2.gz GIJXYDIQRCIQKU-CYBMUJFWSA-N 1 0 329.356 3.144 10 5 EGBERO CC[N@H+](CCNc1c(OC)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000574464975 459822901 /nfs/dbraw/zinc/82/29/01/459822901.db2.gz ZOWMTNJILCDEDS-UHFFFAOYSA-N 1 0 335.326 3.290 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000589349845 460077252 /nfs/dbraw/zinc/07/72/52/460077252.db2.gz TZFGAOIOCNCGIP-OLZOCXBDSA-N 1 0 346.456 3.336 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000598987543 460119150 /nfs/dbraw/zinc/11/91/50/460119150.db2.gz RJMMQTZJCNIATN-AWEZNQCLSA-N 1 0 328.368 3.005 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)n1 ZINC000618759125 460160323 /nfs/dbraw/zinc/16/03/23/460160323.db2.gz ZRFHZMRTFSNMBN-OAHLLOKOSA-N 1 0 340.427 3.233 10 5 EGBERO COc1cc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000599594328 460283460 /nfs/dbraw/zinc/28/34/60/460283460.db2.gz JQZBXAQKUVVZHB-QGZVFWFLSA-N 1 0 340.395 3.163 10 5 EGBERO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621301 460289096 /nfs/dbraw/zinc/28/90/96/460289096.db2.gz IIWCHJFEBOGKKD-MRXNPFEDSA-N 1 0 332.379 3.199 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673378 460305538 /nfs/dbraw/zinc/30/55/38/460305538.db2.gz QBBCSXPQISSECT-ZDUSSCGKSA-N 1 0 347.415 3.197 10 5 EGBERO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623338 460417403 /nfs/dbraw/zinc/41/74/03/460417403.db2.gz ZAAQCPSCRFPNCA-ACJLOTCBSA-N 1 0 332.400 3.378 10 5 EGBERO C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)(C)C[NH+](C)C ZINC000601225960 460756570 /nfs/dbraw/zinc/75/65/70/460756570.db2.gz BUKGWQVWWLBONN-CQSZACIVSA-N 1 0 347.459 3.109 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000601226264 460756897 /nfs/dbraw/zinc/75/68/97/460756897.db2.gz DNZGUZAQWCZSHY-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO C[C@@H](Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000601934872 460950596 /nfs/dbraw/zinc/95/05/96/460950596.db2.gz NMIUXJUCGORYNN-CYBMUJFWSA-N 1 0 329.404 3.231 10 5 EGBERO C[C@H](Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000601934873 460951194 /nfs/dbraw/zinc/95/11/94/460951194.db2.gz NMIUXJUCGORYNN-ZDUSSCGKSA-N 1 0 329.404 3.231 10 5 EGBERO CCC[NH+]1CCC(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611708215 469306553 /nfs/dbraw/zinc/30/65/53/469306553.db2.gz AWILQISJFLABAV-UHFFFAOYSA-N 1 0 329.404 3.072 10 5 EGBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357931000 535233672 /nfs/dbraw/zinc/23/36/72/535233672.db2.gz GMRJOECMBSBFLA-KGLIPLIRSA-N 1 0 336.436 3.075 10 5 EGBERO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc2C1 ZINC000733991945 575424074 /nfs/dbraw/zinc/42/40/74/575424074.db2.gz JLLWFKQFMYVUBL-QGZVFWFLSA-N 1 0 336.395 3.391 10 5 EGBERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000735221506 575618234 /nfs/dbraw/zinc/61/82/34/575618234.db2.gz PQNIVYYZKJIVJY-OAHLLOKOSA-N 1 0 344.342 3.165 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1Cl ZINC000871157899 1296244671 /nfs/dbraw/zinc/24/46/71/1296244671.db2.gz XZFYSNXZBWVGLZ-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO C[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075394 1296719122 /nfs/dbraw/zinc/71/91/22/1296719122.db2.gz AMIJZWIOVPVTCQ-SLEUVZQESA-N 1 0 348.378 3.038 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089378 1296728823 /nfs/dbraw/zinc/72/88/23/1296728823.db2.gz XWPBPLMJAPMLCX-NWDGAFQWSA-N 1 0 337.395 3.032 10 5 EGBERO O=C1OCC[C@H]1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000872113188 1296740050 /nfs/dbraw/zinc/74/00/50/1296740050.db2.gz NBWFWUYQRXCJMB-RHSMWYFYSA-N 1 0 332.400 3.295 10 5 EGBERO CC(C)OC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000872116568 1296741892 /nfs/dbraw/zinc/74/18/92/1296741892.db2.gz SLUVEVGZWQOTGR-HUUCEWRRSA-N 1 0 336.436 3.212 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000882102298 1301830251 /nfs/dbraw/zinc/83/02/51/1301830251.db2.gz MZFCZHSGTLUEGK-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000882120576 1301838334 /nfs/dbraw/zinc/83/83/34/1301838334.db2.gz XMEQTCJXMXWNCL-HOCLYGCPSA-N 1 0 343.427 3.251 10 5 EGBERO Cc1ccnc(N)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894904273 1309122339 /nfs/dbraw/zinc/12/23/39/1309122339.db2.gz NZMYJQUCZZBHBG-OAHLLOKOSA-N 1 0 326.400 3.260 10 5 EGBERO O=[N+]([O-])c1sc(C[NH2+]CCc2ccns2)cc1Br ZINC000895529643 1309385590 /nfs/dbraw/zinc/38/55/90/1309385590.db2.gz USKDQVCOVYNPFW-UHFFFAOYSA-N 1 0 348.247 3.208 10 5 EGBERO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000857931027 1328631349 /nfs/dbraw/zinc/63/13/49/1328631349.db2.gz TXNPBAXNFDTLNX-AWEZNQCLSA-N 1 0 345.424 3.180 10 5 EGBERO Cc1ccc(O[C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858011107 1328656674 /nfs/dbraw/zinc/65/66/74/1328656674.db2.gz KDWOIFWYOQRIQV-AATOQMJSSA-N 1 0 339.395 3.465 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3ccns3)CC2)cc1 ZINC000929747631 1328685090 /nfs/dbraw/zinc/68/50/90/1328685090.db2.gz FNNZBRWYZVPDFP-UHFFFAOYSA-N 1 0 333.413 3.137 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858472319 1328771004 /nfs/dbraw/zinc/77/10/04/1328771004.db2.gz XPYATOGYOXAFSV-PBHICJAKSA-N 1 0 330.384 3.214 10 5 EGBERO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913631731 1319082868 /nfs/dbraw/zinc/08/28/68/1319082868.db2.gz ACPUXWGOUMKYOA-UHFFFAOYSA-N 1 0 349.456 3.065 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930353056 1328840156 /nfs/dbraw/zinc/84/01/56/1328840156.db2.gz FMGAWARORHBYOC-ZIAGYGMSSA-N 1 0 332.322 3.179 10 5 EGBERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917075651 1319750820 /nfs/dbraw/zinc/75/08/20/1319750820.db2.gz PVBVMTWYODKWND-CHWSQXEVSA-N 1 0 347.419 3.301 10 5 EGBERO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788235 1328971330 /nfs/dbraw/zinc/97/13/30/1328971330.db2.gz QWSALJIXDRPOKY-QZTJIDSGSA-N 1 0 345.443 3.079 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922453995 1322530752 /nfs/dbraw/zinc/53/07/52/1322530752.db2.gz AAXRDFYZBRZPNJ-BXUZGUMPSA-N 1 0 332.322 3.411 10 5 EGBERO Cc1cc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nn1C ZINC000922690080 1322591541 /nfs/dbraw/zinc/59/15/41/1322591541.db2.gz RATXMDWJTAXCDO-UHFFFAOYSA-N 1 0 340.383 3.229 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000925383867 1325136317 /nfs/dbraw/zinc/13/63/17/1325136317.db2.gz YNVUFPVVBKXSHL-CYBMUJFWSA-N 1 0 330.388 3.246 10 5 EGBERO CCC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778973 1325296521 /nfs/dbraw/zinc/29/65/21/1325296521.db2.gz LCVMPCZGQQQYCS-DZGCQCFKSA-N 1 0 327.375 3.270 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(C)n(C)n1 ZINC000926912748 1327772882 /nfs/dbraw/zinc/77/28/82/1327772882.db2.gz YJZFJUARWJOLSN-CQSZACIVSA-N 1 0 348.472 3.340 10 5 EGBERO Cc1cc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1C ZINC000926912537 1327773182 /nfs/dbraw/zinc/77/31/82/1327773182.db2.gz ZMKQLZWLYVUWIF-SFHVURJKSA-N 1 0 328.416 3.237 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927066486 1327838037 /nfs/dbraw/zinc/83/80/37/1327838037.db2.gz LPIOTXROBZLPJH-YEWDVWPNSA-N 1 0 334.416 3.459 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCC3(CCC3)O2)n1 ZINC000927130996 1327883431 /nfs/dbraw/zinc/88/34/31/1327883431.db2.gz TZJOTPCWKAEUJR-HRCADAONSA-N 1 0 348.447 3.356 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861360380 1329412728 /nfs/dbraw/zinc/41/27/28/1329412728.db2.gz SJERABOWCIQVJW-NTCAYCPXSA-N 1 0 344.411 3.417 10 5 EGBERO CC(C)(C(=O)OCC12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC000861363194 1329412942 /nfs/dbraw/zinc/41/29/42/1329412942.db2.gz PUTDESKBMFATGY-UHFFFAOYSA-N 1 0 346.427 3.292 10 5 EGBERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000861920904 1329450712 /nfs/dbraw/zinc/45/07/12/1329450712.db2.gz TXQJJBWDLONJGV-CQSZACIVSA-N 1 0 341.411 3.304 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000865261499 1329680839 /nfs/dbraw/zinc/68/08/39/1329680839.db2.gz UYKQHNBZIMZFIA-UHFFFAOYSA-N 1 0 336.461 3.144 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1[N+](=O)[O-] ZINC000866447150 1330113534 /nfs/dbraw/zinc/11/35/34/1330113534.db2.gz ZJIGHWRDXXEFQR-UATUXCOTSA-N 1 0 332.400 3.068 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000866564124 1330127229 /nfs/dbraw/zinc/12/72/29/1330127229.db2.gz RPNRSYRSLGTUGR-FZKQIMNGSA-N 1 0 341.411 3.441 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000866612877 1330132840 /nfs/dbraw/zinc/13/28/40/1330132840.db2.gz CRYMAHROUUOJAO-OFQRWUPVSA-N 1 0 328.416 3.390 10 5 EGBERO Cc1cc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])s1 ZINC001185029678 1387591230 /nfs/dbraw/zinc/59/12/30/1387591230.db2.gz PZSZQLGKASGXFC-UHFFFAOYSA-N 1 0 337.470 3.391 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001324557370 1387673180 /nfs/dbraw/zinc/67/31/80/1387673180.db2.gz ZGFUAAWHUZGYAC-GOEBONIOSA-N 1 0 335.404 3.330 10 5 EGBERO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC001185640103 1387766780 /nfs/dbraw/zinc/76/67/80/1387766780.db2.gz OAQSJMVMMRCTAV-ZDUSSCGKSA-N 1 0 332.379 3.451 10 5 EGBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821519 1367601824 /nfs/dbraw/zinc/60/18/24/1367601824.db2.gz NZRGHQOQUGGVCL-HUUCEWRRSA-N 1 0 338.452 3.015 10 5 EGBERO CN(C)c1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001194477244 1368271314 /nfs/dbraw/zinc/27/13/14/1368271314.db2.gz JFKDZTOEHISDAX-MRXNPFEDSA-N 1 0 340.427 3.435 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001196771837 1368680813 /nfs/dbraw/zinc/68/08/13/1368680813.db2.gz HDXLIIRIVPXXCL-IEBWSBKVSA-N 1 0 342.395 3.301 10 5 EGBERO Cc1occc1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001327175965 1388424290 /nfs/dbraw/zinc/42/42/90/1388424290.db2.gz FFRQTIWGTJHQSB-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001141153727 1378251146 /nfs/dbraw/zinc/25/11/46/1378251146.db2.gz PXYFLSWSPVQONN-UHFFFAOYSA-N 1 0 345.443 3.302 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001291909001 1382161764 /nfs/dbraw/zinc/16/17/64/1382161764.db2.gz LWDRJNUYQVPYGQ-UHFFFAOYSA-N 1 0 347.459 3.406 10 5 EGBERO CC[N@@H+]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001162832529 1382889288 /nfs/dbraw/zinc/88/92/88/1382889288.db2.gz CUQRGPLATLLVEZ-NSHDSACASA-N 1 0 331.338 3.452 10 5 EGBERO COCC[N@@H+]1CCC[C@@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001163545591 1383074876 /nfs/dbraw/zinc/07/48/76/1383074876.db2.gz RHUKIKXYDXXWIO-GFCCVEGCSA-N 1 0 347.337 3.136 10 5 EGBERO Cc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])s1 ZINC001163643635 1383094044 /nfs/dbraw/zinc/09/40/44/1383094044.db2.gz VZTINEGKHPRAFO-UHFFFAOYSA-N 1 0 334.445 3.318 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC001163754954 1383118200 /nfs/dbraw/zinc/11/82/00/1383118200.db2.gz XVSROPSPGVSKST-GFCCVEGCSA-N 1 0 329.404 3.290 10 5 EGBERO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001307184220 1383952465 /nfs/dbraw/zinc/95/24/65/1383952465.db2.gz IXQGLZPURPFTHN-INIZCTEOSA-N 1 0 343.431 3.185 10 5 EGBERO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670346 1384010694 /nfs/dbraw/zinc/01/06/94/1384010694.db2.gz RAHOISPNNNOVNE-ZFWWWQNUSA-N 1 0 335.423 3.477 10 5 EGBERO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001308057985 1384082396 /nfs/dbraw/zinc/08/23/96/1384082396.db2.gz DGBXOONCZBYHIM-ZBFHGGJFSA-N 1 0 338.791 3.166 10 5 EGBERO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC001170117293 1384238730 /nfs/dbraw/zinc/23/87/30/1384238730.db2.gz JYHWGAHHANYCQM-RTBURBONSA-N 1 0 328.412 3.485 10 5 EGBERO Cc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC001171815235 1384647878 /nfs/dbraw/zinc/64/78/78/1384647878.db2.gz IGYQPMLVCJASGZ-UHFFFAOYSA-N 1 0 339.395 3.290 10 5 EGBERO C/C=C/C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001175054182 1385186932 /nfs/dbraw/zinc/18/69/32/1385186932.db2.gz RKPLNUMDQXSQIZ-FAAWYNLUSA-N 1 0 343.427 3.162 10 5 EGBERO C/C=C\C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001175054186 1385186982 /nfs/dbraw/zinc/18/69/82/1385186982.db2.gz RKPLNUMDQXSQIZ-MPNWYJEXSA-N 1 0 343.427 3.162 10 5 EGBERO CC/C=C(/C)C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317549452 1385304539 /nfs/dbraw/zinc/30/45/39/1385304539.db2.gz VCMKRQIQESGTMB-CPSFFCFKSA-N 1 0 331.416 3.032 10 5 EGBERO Cc1cc(C)c2c(c1)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001177033848 1385780196 /nfs/dbraw/zinc/78/01/96/1385780196.db2.gz WUCVUDRENHYHOH-IBGZPJMESA-N 1 0 326.396 3.303 10 5 EGBERO O=C(C1CCC1)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001698688121 1406333948 /nfs/dbraw/zinc/33/39/48/1406333948.db2.gz RFTMTOCRZYJPIX-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1-c1nnc([C@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001341579404 1390505354 /nfs/dbraw/zinc/50/53/54/1390505354.db2.gz HWEWLLGQZIVEHJ-GFCCVEGCSA-N 1 0 345.403 3.184 10 5 EGBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)n1ccnc1 ZINC001344127177 1390757641 /nfs/dbraw/zinc/75/76/41/1390757641.db2.gz LUZNFRPYYRHDTE-LBPRGKRZSA-N 1 0 349.412 3.250 10 5 EGBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CC[N@H+](C)C1 ZINC001345466850 1390861287 /nfs/dbraw/zinc/86/12/87/1390861287.db2.gz UOMGPWCCEDNPGP-ZDUSSCGKSA-N 1 0 342.399 3.306 10 5 EGBERO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480141855 1392599832 /nfs/dbraw/zinc/59/98/32/1392599832.db2.gz GCUSKQLDAWFXRJ-SHTZXODSSA-N 1 0 333.432 3.014 10 5 EGBERO CCCN(C(=O)C(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001490609279 1394281254 /nfs/dbraw/zinc/28/12/54/1394281254.db2.gz MBWDRYSZMGUAEN-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO CC(C)(C)C(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001482049459 1394712086 /nfs/dbraw/zinc/71/20/86/1394712086.db2.gz FBGKELKTWGVMLU-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCC(=CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)CC ZINC001691090384 1405025454 /nfs/dbraw/zinc/02/54/54/1405025454.db2.gz MKOWCUADYNOWLZ-CALCHBBNSA-N 1 0 345.443 3.326 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001732004450 1428216861 /nfs/dbraw/zinc/21/68/61/1428216861.db2.gz UTQFPJAQOFOPIO-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001699332082 1412644590 /nfs/dbraw/zinc/64/45/90/1412644590.db2.gz XGGQIJYZUCLOMV-VOTSOKGWSA-N 1 0 349.406 3.029 10 5 EGBERO CCCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001700639196 1414305612 /nfs/dbraw/zinc/30/56/12/1414305612.db2.gz DOWPLJDLQLMQNC-KOMQPUFPSA-N 1 0 347.459 3.406 10 5 EGBERO CCCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713958461 1418740000 /nfs/dbraw/zinc/74/00/00/1418740000.db2.gz DQNYKVOZJJOJMF-SHTZXODSSA-N 1 0 333.432 3.158 10 5 EGBERO O=C(CC1=CCCCC1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001715798166 1420347183 /nfs/dbraw/zinc/34/71/83/1420347183.db2.gz XZAPODUNPYTYTE-VOTSOKGWSA-N 1 0 343.427 3.247 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)=C1CCCC1 ZINC001715803180 1420349999 /nfs/dbraw/zinc/34/99/99/1420349999.db2.gz KBXSMDWDKUMIPU-ARJAWSKDSA-N 1 0 347.390 3.154 10 5 EGBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC=CCC1 ZINC001723195610 1424318795 /nfs/dbraw/zinc/31/87/95/1424318795.db2.gz CPAABGVQFMADLF-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO C/C(=C/C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001724842498 1425191470 /nfs/dbraw/zinc/19/14/70/1425191470.db2.gz CKLCJCMXDDIHEF-SQFISAMPSA-N 1 0 345.443 3.231 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCC1 ZINC001725141717 1425621140 /nfs/dbraw/zinc/62/11/40/1425621140.db2.gz UORWRZRZQXQPRA-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC1(CCC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001725366180 1426015932 /nfs/dbraw/zinc/01/59/32/1426015932.db2.gz FOZIURZUKDZIIX-KOMQPUFPSA-N 1 0 345.443 3.160 10 5 EGBERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001654940460 1126254908 /nfs/dbraw/zinc/25/49/08/1126254908.db2.gz NPCYRYFKHNVVLV-KRWDZBQOSA-N 1 0 334.803 3.332 10 5 EGBERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000174464555 231214768 /nfs/dbraw/zinc/21/47/68/231214768.db2.gz PSFRLSGSXDZFKO-WDEREUQCSA-N 1 0 340.811 3.195 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000266431512 201220148 /nfs/dbraw/zinc/22/01/48/201220148.db2.gz DIFWCLBHXNTTJP-CHWSQXEVSA-N 1 0 335.404 3.255 10 5 EGBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103096412 204062143 /nfs/dbraw/zinc/06/21/43/204062143.db2.gz HBEOTWSBHRJHPE-MRXNPFEDSA-N 1 0 345.443 3.323 10 5 EGBERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105929013 204180275 /nfs/dbraw/zinc/18/02/75/204180275.db2.gz LRPYQHJGZZOXPL-CYBMUJFWSA-N 1 0 329.404 3.147 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000132764873 205340587 /nfs/dbraw/zinc/34/05/87/205340587.db2.gz HXMFWQXPZAQBLL-ROUUACIJSA-N 1 0 347.365 3.408 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000270632851 141060998 /nfs/dbraw/zinc/06/09/98/141060998.db2.gz HXMFWQXPZAQBLL-ZWKOTPCHSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000178192758 144066123 /nfs/dbraw/zinc/06/61/23/144066123.db2.gz GWMBTKYFOGRFSQ-HUUCEWRRSA-N 1 0 341.415 3.013 10 5 EGBERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192812933 153262036 /nfs/dbraw/zinc/26/20/36/153262036.db2.gz YTDQAQGOCOJXTH-RDJZCZTQSA-N 1 0 341.415 3.095 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000340150332 155115064 /nfs/dbraw/zinc/11/50/64/155115064.db2.gz IAJQYAIPJPOIER-INIZCTEOSA-N 1 0 346.818 3.314 10 5 EGBERO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccncc2[N+](=O)[O-])C1 ZINC000340154534 155115556 /nfs/dbraw/zinc/11/55/56/155115556.db2.gz HEPXRPZOKLAWND-HNNXBMFYSA-N 1 0 340.427 3.256 10 5 EGBERO [NH3+]CCN(CCCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348935429 156293700 /nfs/dbraw/zinc/29/37/00/156293700.db2.gz POPVSFKYYFKANT-UHFFFAOYSA-N 1 0 329.400 3.219 10 5 EGBERO CCc1nnc(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000362089556 157018469 /nfs/dbraw/zinc/01/84/69/157018469.db2.gz JBZQOZPTCPWHNH-GFCCVEGCSA-N 1 0 329.404 3.216 10 5 EGBERO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000248620223 163022423 /nfs/dbraw/zinc/02/24/23/163022423.db2.gz MIZZHGRDTQOUKJ-DLBZAZTESA-N 1 0 346.383 3.205 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344031720 164087584 /nfs/dbraw/zinc/08/75/84/164087584.db2.gz CVCWZTRQBUQUHX-ZIAGYGMSSA-N 1 0 347.415 3.219 10 5 EGBERO NC(=O)CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000354918557 166063340 /nfs/dbraw/zinc/06/33/40/166063340.db2.gz IVAOUCUPOUAWEQ-UHFFFAOYSA-N 1 0 345.424 3.211 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000362759852 277138391 /nfs/dbraw/zinc/13/83/91/277138391.db2.gz RGQAJKWOVTVZPX-QZTJIDSGSA-N 1 0 329.375 3.269 10 5 EGBERO Cc1cc(N2CCc3cc[nH]c(=O)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000375979103 278717173 /nfs/dbraw/zinc/71/71/73/278717173.db2.gz CBODUZWKESCSFR-UHFFFAOYSA-N 1 0 336.351 3.115 10 5 EGBERO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000192789650 279699562 /nfs/dbraw/zinc/69/95/62/279699562.db2.gz TUOJRNPXEZTIEQ-OAHLLOKOSA-N 1 0 332.448 3.269 10 5 EGBERO C[NH+](C)CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000112915862 289123873 /nfs/dbraw/zinc/12/38/73/289123873.db2.gz VCSVXMGQMOSOAB-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO COC(=O)c1cc(NC2CC[NH+](C3CCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000295926348 308375443 /nfs/dbraw/zinc/37/54/43/308375443.db2.gz GTJRMLQFXPHPFT-UHFFFAOYSA-N 1 0 347.415 3.119 10 5 EGBERO CCCc1ncc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000449610417 310075314 /nfs/dbraw/zinc/07/53/14/310075314.db2.gz GMYPYUAKOVFAJX-GFCCVEGCSA-N 1 0 346.387 3.042 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415699524 309141364 /nfs/dbraw/zinc/14/13/64/309141364.db2.gz JFRAIWQCHSIILU-UHFFFAOYSA-N 1 0 348.447 3.404 10 5 EGBERO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415704566 309141430 /nfs/dbraw/zinc/14/14/30/309141430.db2.gz SFKMNFUSSGCHQO-RYUDHWBXSA-N 1 0 334.420 3.106 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000433070827 309677760 /nfs/dbraw/zinc/67/77/60/309677760.db2.gz WFLZOAJPVIEGTG-MQBCKMQZSA-N 1 0 331.416 3.400 10 5 EGBERO CC[NH+](CC)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444594487 309922246 /nfs/dbraw/zinc/92/22/46/309922246.db2.gz KAVYVACCZMWGGL-UHFFFAOYSA-N 1 0 345.447 3.025 10 5 EGBERO CC[NH+]1CCC(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450354883 310117368 /nfs/dbraw/zinc/11/73/68/310117368.db2.gz OKPZWGRSFQZWPR-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462816411 310606322 /nfs/dbraw/zinc/60/63/22/310606322.db2.gz KZKFVJIKOQAJSH-AWEZNQCLSA-N 1 0 342.443 3.318 10 5 EGBERO C[C@](O)(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492044197 311211770 /nfs/dbraw/zinc/21/17/70/311211770.db2.gz OQYQKYCTNAAQOE-MOPGFXCFSA-N 1 0 326.396 3.435 10 5 EGBERO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000511966514 312173106 /nfs/dbraw/zinc/17/31/06/312173106.db2.gz ZSWCPPOUJPQNAY-SFHVURJKSA-N 1 0 341.411 3.244 10 5 EGBERO C[N@@H+]1CCC[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC000516230666 312315713 /nfs/dbraw/zinc/31/57/13/312315713.db2.gz FKHMYPUSTBCBEE-XJKSGUPXSA-N 1 0 326.400 3.064 10 5 EGBERO Cn1cncc1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530407474 313532241 /nfs/dbraw/zinc/53/22/41/313532241.db2.gz LRBZAUKFIYQMDY-IBGZPJMESA-N 1 0 336.395 3.250 10 5 EGBERO COc1cccc(F)c1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000539340869 314307335 /nfs/dbraw/zinc/30/73/35/314307335.db2.gz LFJPBTZAJNSUBE-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549614068 315099076 /nfs/dbraw/zinc/09/90/76/315099076.db2.gz MGCLPASKNDZSEJ-HDMKZQKVSA-N 1 0 348.443 3.122 10 5 EGBERO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000551748875 315166670 /nfs/dbraw/zinc/16/66/70/315166670.db2.gz FIFYMAHIGAAFMA-IUODEOHRSA-N 1 0 348.424 3.166 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000559643150 315641022 /nfs/dbraw/zinc/64/10/22/315641022.db2.gz ZMYURVLCJUFAQJ-GJZGRUSLSA-N 1 0 347.459 3.252 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000565549225 316338713 /nfs/dbraw/zinc/33/87/13/316338713.db2.gz PEYJFHYVGZQUJD-BBRMVZONSA-N 1 0 328.343 3.315 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000567972302 316703074 /nfs/dbraw/zinc/70/30/74/316703074.db2.gz QNPFGUJAESPWCU-UHFFFAOYSA-N 1 0 346.431 3.296 10 5 EGBERO COc1cccc(C2(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000570438428 317055992 /nfs/dbraw/zinc/05/59/92/317055992.db2.gz GSUJPUIMKFDCJI-UHFFFAOYSA-N 1 0 342.395 3.433 10 5 EGBERO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571462386 317203068 /nfs/dbraw/zinc/20/30/68/317203068.db2.gz SKXOTURMNNATAP-MRXNPFEDSA-N 1 0 339.395 3.427 10 5 EGBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379686462 324241709 /nfs/dbraw/zinc/24/17/09/324241709.db2.gz PPCWAAQJPZCAPB-KRWDZBQOSA-N 1 0 340.427 3.187 10 5 EGBERO COc1ccc(OCCOc2cc(C)[nH+]c(C)c2C)c([N+](=O)[O-])c1 ZINC000576080748 324540963 /nfs/dbraw/zinc/54/09/63/324540963.db2.gz MSPPIHOWWQNHAX-UHFFFAOYSA-N 1 0 332.356 3.381 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000579278457 325087572 /nfs/dbraw/zinc/08/75/72/325087572.db2.gz UWHDFLYZEREQFQ-LLCTXKFZSA-N 1 0 328.343 3.340 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000579339687 325096005 /nfs/dbraw/zinc/09/60/05/325096005.db2.gz HSOBZUMTPAZAAD-CYBMUJFWSA-N 1 0 328.416 3.366 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000579974962 325186396 /nfs/dbraw/zinc/18/63/96/325186396.db2.gz CWQPNCDYCCLSFX-CQSZACIVSA-N 1 0 327.384 3.296 10 5 EGBERO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310859 455275384 /nfs/dbraw/zinc/27/53/84/455275384.db2.gz DTFAEPKLRXCCMC-INIZCTEOSA-N 1 0 333.432 3.032 10 5 EGBERO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)c(Cl)c1 ZINC000600679671 460566273 /nfs/dbraw/zinc/56/62/73/460566273.db2.gz MZWIHQQPYPETPT-UHFFFAOYSA-N 1 0 333.775 3.342 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183396233 455287202 /nfs/dbraw/zinc/28/72/02/455287202.db2.gz TUAWEPYQRPVTJD-APWZRJJASA-N 1 0 329.444 3.352 10 5 EGBERO C=CC(=O)OCC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1 ZINC000002539838 452704182 /nfs/dbraw/zinc/70/41/82/452704182.db2.gz QBRMWULDADVFMK-UHFFFAOYSA-N 1 0 338.427 3.223 10 5 EGBERO CC1(c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)CC[NH2+]CC1 ZINC000600791052 460606469 /nfs/dbraw/zinc/60/64/69/460606469.db2.gz DISPBNFVLKPDQI-UHFFFAOYSA-N 1 0 340.423 3.438 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119830242 454224803 /nfs/dbraw/zinc/22/48/03/454224803.db2.gz YXXQXVGCWJQVDZ-UHFFFAOYSA-N 1 0 348.447 3.455 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000078333006 454233673 /nfs/dbraw/zinc/23/36/73/454233673.db2.gz XLVNDQNDLGWRHR-CZUORRHYSA-N 1 0 328.416 3.310 10 5 EGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121498693 454442551 /nfs/dbraw/zinc/44/25/51/454442551.db2.gz LXZVSFCAIWSNDX-MAUKXSAKSA-N 1 0 348.349 3.223 10 5 EGBERO Cc1sc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000063771437 454447567 /nfs/dbraw/zinc/44/75/67/454447567.db2.gz BMYGRIBUBCHKAM-UHFFFAOYSA-N 1 0 339.461 3.301 10 5 EGBERO CC(C)([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000080347314 454569050 /nfs/dbraw/zinc/56/90/50/454569050.db2.gz GJYFGGKFEITXSH-UHFFFAOYSA-N 1 0 337.383 3.200 10 5 EGBERO CC(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000065536632 454587160 /nfs/dbraw/zinc/58/71/60/454587160.db2.gz JBNVQYXWIQCGHF-UHFFFAOYSA-N 1 0 328.416 3.311 10 5 EGBERO Cc1nc(C[C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)no1 ZINC000092813800 454640156 /nfs/dbraw/zinc/64/01/56/454640156.db2.gz YUDOMBKSNHAVFB-PXTSUWAFSA-N 1 0 342.399 3.254 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)n2)c1 ZINC000125256014 454807941 /nfs/dbraw/zinc/80/79/41/454807941.db2.gz SOXGNLHFNDNHTA-RHSMWYFYSA-N 1 0 341.415 3.465 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163594169 454858008 /nfs/dbraw/zinc/85/80/08/454858008.db2.gz CBFLJJZJGHYEES-OAHLLOKOSA-N 1 0 333.432 3.001 10 5 EGBERO Cc1sc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000114383598 454952267 /nfs/dbraw/zinc/95/22/67/454952267.db2.gz KOPBRIAHPZDNAA-UHFFFAOYSA-N 1 0 339.461 3.157 10 5 EGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000178674511 454967659 /nfs/dbraw/zinc/96/76/59/454967659.db2.gz LVRWMMLONOONQL-GXFFZTMASA-N 1 0 334.401 3.119 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000179706006 455068829 /nfs/dbraw/zinc/06/88/29/455068829.db2.gz IWXDNVVGAKQCBD-KRWDZBQOSA-N 1 0 347.802 3.151 10 5 EGBERO Cc1c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000171641895 455082028 /nfs/dbraw/zinc/08/20/28/455082028.db2.gz GBPOHENYYJFVHS-HNNXBMFYSA-N 1 0 326.400 3.232 10 5 EGBERO Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171649290 455082438 /nfs/dbraw/zinc/08/24/38/455082438.db2.gz QIVSUJOMISUCEM-QGZVFWFLSA-N 1 0 340.427 3.275 10 5 EGBERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180608433 455206864 /nfs/dbraw/zinc/20/68/64/455206864.db2.gz WBYQCOPCZPNAAK-GDBMZVCRSA-N 1 0 343.431 3.195 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181533662 455350723 /nfs/dbraw/zinc/35/07/23/455350723.db2.gz QVIUGHWJMSEZFP-HNNXBMFYSA-N 1 0 347.440 3.322 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997986 460669455 /nfs/dbraw/zinc/66/94/55/460669455.db2.gz PWUZUUCKHSWBJW-HNNXBMFYSA-N 1 0 345.443 3.007 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184480477 455387500 /nfs/dbraw/zinc/38/75/00/455387500.db2.gz QOZMENNSKYMXBN-OAHLLOKOSA-N 1 0 346.431 3.304 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246329012 455472116 /nfs/dbraw/zinc/47/21/16/455472116.db2.gz KEWGBOPYZQRYJH-IHRRRGAJSA-N 1 0 347.415 3.052 10 5 EGBERO COc1ccc(CNc2c[nH+]ccc2-n2cc(C)cn2)cc1[N+](=O)[O-] ZINC000182669992 455564731 /nfs/dbraw/zinc/56/47/31/455564731.db2.gz CAMQEUREAKQHJZ-UHFFFAOYSA-N 1 0 339.355 3.105 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000252675243 455827441 /nfs/dbraw/zinc/82/74/41/455827441.db2.gz YVYNKRPZQSRGKN-JQWIXIFHSA-N 1 0 340.221 3.030 10 5 EGBERO Cn1nccc1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255320481 455864645 /nfs/dbraw/zinc/86/46/45/455864645.db2.gz KJDGSEKAQGGLGU-XQRVVYSFSA-N 1 0 326.400 3.221 10 5 EGBERO Cc1c(NC(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000297100531 456119240 /nfs/dbraw/zinc/11/92/40/456119240.db2.gz CUVIZEKSZUFBOO-UHFFFAOYSA-N 1 0 332.404 3.042 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301669403 456180282 /nfs/dbraw/zinc/18/02/82/456180282.db2.gz DRGUMHVBPYTUCR-JTQLQIEISA-N 1 0 343.225 3.039 10 5 EGBERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601124425 460720287 /nfs/dbraw/zinc/72/02/87/460720287.db2.gz FJWZVACPNIFFHS-HNNXBMFYSA-N 1 0 344.390 3.087 10 5 EGBERO C[C@@H]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302028733 456271526 /nfs/dbraw/zinc/27/15/26/456271526.db2.gz JCGACFZYHDAAGJ-PBHICJAKSA-N 1 0 341.411 3.162 10 5 EGBERO COc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000302816872 456408463 /nfs/dbraw/zinc/40/84/63/456408463.db2.gz IPHJWINZFNZSLH-YJBOKZPZSA-N 1 0 327.384 3.461 10 5 EGBERO COc1ccccc1[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000302857913 456418755 /nfs/dbraw/zinc/41/87/55/456418755.db2.gz MXKDDCAEWHKROE-MRXNPFEDSA-N 1 0 333.363 3.457 10 5 EGBERO COc1cc(C[NH2+]CC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000353046866 456461043 /nfs/dbraw/zinc/46/10/43/456461043.db2.gz LNOZJVDIJJJRIP-UHFFFAOYSA-N 1 0 334.294 3.044 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000276522863 456504495 /nfs/dbraw/zinc/50/44/95/456504495.db2.gz CXXGUZFHTYOIEP-LLVKDONJSA-N 1 0 339.823 3.018 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000276522865 456504907 /nfs/dbraw/zinc/50/49/07/456504907.db2.gz CXXGUZFHTYOIEP-NSHDSACASA-N 1 0 339.823 3.018 10 5 EGBERO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000348225035 456547131 /nfs/dbraw/zinc/54/71/31/456547131.db2.gz LRHPCDHJBARGBO-RDJZCZTQSA-N 1 0 340.427 3.479 10 5 EGBERO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301104628 456797847 /nfs/dbraw/zinc/79/78/47/456797847.db2.gz PFMOVOIOOSMPDY-MRXNPFEDSA-N 1 0 343.431 3.103 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000362659841 457030912 /nfs/dbraw/zinc/03/09/12/457030912.db2.gz XYZQDYGZMNWOTG-DOTOQJQBSA-N 1 0 337.383 3.328 10 5 EGBERO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000341990602 457046321 /nfs/dbraw/zinc/04/63/21/457046321.db2.gz NMAPTTNCRZELRW-INIZCTEOSA-N 1 0 331.441 3.015 10 5 EGBERO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354078997 457049203 /nfs/dbraw/zinc/04/92/03/457049203.db2.gz BFWKUUFKFWEYPX-GFCCVEGCSA-N 1 0 329.322 3.287 10 5 EGBERO COc1cc(C[NH2+]CC[C@@H](C)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000354200322 457125800 /nfs/dbraw/zinc/12/58/00/457125800.db2.gz NCIQOXJSYOZMOM-SECBINFHSA-N 1 0 336.310 3.085 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000359845794 457134245 /nfs/dbraw/zinc/13/42/45/457134245.db2.gz FMUUCTYJABYUMX-CQSZACIVSA-N 1 0 349.412 3.158 10 5 EGBERO Cc1nc([C@@H]2CCCCN2CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363012224 457195069 /nfs/dbraw/zinc/19/50/69/457195069.db2.gz CZDUIQOXCDJDCZ-INIZCTEOSA-N 1 0 346.387 3.282 10 5 EGBERO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339683974 457212239 /nfs/dbraw/zinc/21/22/39/457212239.db2.gz QNRVNXJHRMUPGH-LBPRGKRZSA-N 1 0 329.322 3.287 10 5 EGBERO Cn1cc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000342293989 457219167 /nfs/dbraw/zinc/21/91/67/457219167.db2.gz HEOZOWGLOMOHAJ-INIZCTEOSA-N 1 0 332.404 3.084 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000360151205 457277100 /nfs/dbraw/zinc/27/71/00/457277100.db2.gz WSEMYTRYFHOCHY-OAHLLOKOSA-N 1 0 349.412 3.158 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364432965 457601775 /nfs/dbraw/zinc/60/17/75/457601775.db2.gz DUOKAMFFTIQTEP-BFUOFWGJSA-N 1 0 337.379 3.252 10 5 EGBERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000445224155 458027075 /nfs/dbraw/zinc/02/70/75/458027075.db2.gz WZCKMORFPRZUMY-CQSZACIVSA-N 1 0 348.447 3.077 10 5 EGBERO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000434952437 458069901 /nfs/dbraw/zinc/06/99/01/458069901.db2.gz XGFFQJSLOGEPLA-LBPRGKRZSA-N 1 0 326.809 3.420 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cn1 ZINC000428662087 458187225 /nfs/dbraw/zinc/18/72/25/458187225.db2.gz CJLFPSSOLMNFOL-MRXNPFEDSA-N 1 0 344.440 3.019 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC1CCCCC1 ZINC000468652303 458529097 /nfs/dbraw/zinc/52/90/97/458529097.db2.gz HNWLLMRWWNPWDG-UVTDQMKNSA-N 1 0 331.416 3.037 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457101459 458867083 /nfs/dbraw/zinc/86/70/83/458867083.db2.gz YDMUMFCKOMSCIU-ZDUSSCGKSA-N 1 0 339.823 3.111 10 5 EGBERO COCC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594514552 459072734 /nfs/dbraw/zinc/07/27/34/459072734.db2.gz LAWRTOSMXYKQSK-UHFFFAOYSA-N 1 0 333.413 3.235 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000532974224 459167665 /nfs/dbraw/zinc/16/76/65/459167665.db2.gz XVWVRQWMGKIXTF-UHFFFAOYSA-N 1 0 331.416 3.498 10 5 EGBERO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000594982924 459205558 /nfs/dbraw/zinc/20/55/58/459205558.db2.gz CVDORMYGNAMWEA-GWCFXTLKSA-N 1 0 330.331 3.243 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595002009 459211538 /nfs/dbraw/zinc/21/15/38/459211538.db2.gz ZSHQBCSFDBFUMI-GDNBJRDFSA-N 1 0 345.443 3.414 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000595027181 459221133 /nfs/dbraw/zinc/22/11/33/459221133.db2.gz QNOTZGBPWQKQNR-NEPJUHHUSA-N 1 0 346.431 3.236 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)c1ccccn1 ZINC000595049726 459228568 /nfs/dbraw/zinc/22/85/68/459228568.db2.gz NZCXYSWXAQDLKB-KBPBESRZSA-N 1 0 342.399 3.100 10 5 EGBERO COC[C@H](CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000595061116 459231292 /nfs/dbraw/zinc/23/12/92/459231292.db2.gz PEEDLNINADMXNG-RBUKOAKNSA-N 1 0 344.411 3.325 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000595062954 459233399 /nfs/dbraw/zinc/23/33/99/459233399.db2.gz YHPFOEIUEJBQGF-LBPRGKRZSA-N 1 0 338.289 3.181 10 5 EGBERO COC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595069165 459236280 /nfs/dbraw/zinc/23/62/80/459236280.db2.gz NLRZWGZWDBZNBE-QZTJIDSGSA-N 1 0 334.416 3.003 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595098809 459244268 /nfs/dbraw/zinc/24/42/68/459244268.db2.gz IUYJFUXISHENFE-AWEZNQCLSA-N 1 0 333.432 3.380 10 5 EGBERO Cc1c(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595229743 459259607 /nfs/dbraw/zinc/25/96/07/459259607.db2.gz DRGUGZMODSXCGA-HNNXBMFYSA-N 1 0 346.431 3.147 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C3(O)CC3)co2)cc1 ZINC000590969148 459285899 /nfs/dbraw/zinc/28/58/99/459285899.db2.gz OVGKFYMLMUNJQJ-MRXNPFEDSA-N 1 0 343.383 3.129 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000595394986 459291470 /nfs/dbraw/zinc/29/14/70/459291470.db2.gz SOWRCTXPBYYBJX-CYBMUJFWSA-N 1 0 345.378 3.040 10 5 EGBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595703935 459405494 /nfs/dbraw/zinc/40/54/94/459405494.db2.gz CQOVVAFRWVVGFG-SUMWQHHRSA-N 1 0 339.395 3.241 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000595770882 459433496 /nfs/dbraw/zinc/43/34/96/459433496.db2.gz OHCRRTXSWHFPHB-BBRMVZONSA-N 1 0 348.834 3.483 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595820781 459452643 /nfs/dbraw/zinc/45/26/43/459452643.db2.gz WGVFIHGDIMHZCI-KBHBFKLGSA-N 1 0 337.395 3.428 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595877285 459470960 /nfs/dbraw/zinc/47/09/60/459470960.db2.gz IRZHKDNOPNUXHU-OAHLLOKOSA-N 1 0 339.395 3.195 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CC[C@H](C[NH+]3CCCCC3)C1)CCCC2 ZINC000591914939 459482656 /nfs/dbraw/zinc/48/26/56/459482656.db2.gz LYVARWLCBQVBHN-OAHLLOKOSA-N 1 0 344.459 3.181 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccccc1 ZINC000485983773 459483319 /nfs/dbraw/zinc/48/33/19/459483319.db2.gz YCMBVLAHGRGEIZ-UYAOXDASSA-N 1 0 348.406 3.422 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+](C)C)Cc3ccccc3C2)n1 ZINC000541936190 459512927 /nfs/dbraw/zinc/51/29/27/459512927.db2.gz RPTXVHIUTFLDTL-UHFFFAOYSA-N 1 0 340.427 3.118 10 5 EGBERO C[C@@H]1CC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000592132854 459532838 /nfs/dbraw/zinc/53/28/38/459532838.db2.gz OFEXYPPLVOCVIF-DDBAPUKQSA-N 1 0 348.443 3.268 10 5 EGBERO Cc1cc(N2CCO[C@](C)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596335956 459600245 /nfs/dbraw/zinc/60/02/45/459600245.db2.gz UCVDUFXWCVYULD-SFHVURJKSA-N 1 0 327.384 3.457 10 5 EGBERO C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC000593183617 459799777 /nfs/dbraw/zinc/79/97/77/459799777.db2.gz DNCFECCUNDGQAW-LRDDRELGSA-N 1 0 327.384 3.022 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000597233091 459886484 /nfs/dbraw/zinc/88/64/84/459886484.db2.gz WZOJUHURINFHBB-MJSCBBHESA-N 1 0 345.443 3.235 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593675224 459945959 /nfs/dbraw/zinc/94/59/59/459945959.db2.gz MXPYAMFFEZUZBE-OQLLNIDSSA-N 1 0 341.415 3.002 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000593717106 459961966 /nfs/dbraw/zinc/96/19/66/459961966.db2.gz XVYDQXXVCBRFTM-IFXJQAMLSA-N 1 0 326.396 3.122 10 5 EGBERO CC[NH+]1CCC(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618445391 460012353 /nfs/dbraw/zinc/01/23/53/460012353.db2.gz HAUNKMRSTSANHF-UHFFFAOYSA-N 1 0 339.823 3.018 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)cn2)n1 ZINC000618572168 460067400 /nfs/dbraw/zinc/06/74/00/460067400.db2.gz LTTHSRJYPWHRAV-KGLIPLIRSA-N 1 0 335.795 3.113 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC000589510865 460096798 /nfs/dbraw/zinc/09/67/98/460096798.db2.gz RFOOQHOOJJLXKM-NUTKFTJISA-N 1 0 332.400 3.392 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599083980 460155412 /nfs/dbraw/zinc/15/54/12/460155412.db2.gz POBODIFOKUCKQZ-FLTUCWPJSA-N 1 0 331.416 3.338 10 5 EGBERO CC(C)(C)c1nnc(CNc2ccc3cnccc3c2[N+](=O)[O-])[nH]1 ZINC000599087534 460158252 /nfs/dbraw/zinc/15/82/52/460158252.db2.gz JIXJAVFVTZQVLC-UHFFFAOYSA-N 1 0 326.360 3.171 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599127940 460168824 /nfs/dbraw/zinc/16/88/24/460168824.db2.gz RCZRBIJCOXOEKH-GFCCVEGCSA-N 1 0 347.444 3.418 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000599164080 460183339 /nfs/dbraw/zinc/18/33/39/460183339.db2.gz JEGIOPOEIICRFB-NSHDSACASA-N 1 0 333.417 3.028 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000599598945 460285898 /nfs/dbraw/zinc/28/58/98/460285898.db2.gz CDWLXNMMIWKTMX-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)cn1 ZINC000599702377 460316179 /nfs/dbraw/zinc/31/61/79/460316179.db2.gz HFBYHZWHJXGTAY-GOSISDBHSA-N 1 0 343.383 3.248 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599751267 460326583 /nfs/dbraw/zinc/32/65/83/460326583.db2.gz FAFDNLDKQFHFPW-HNNXBMFYSA-N 1 0 346.431 3.350 10 5 EGBERO CCOc1cccc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601216913 460754428 /nfs/dbraw/zinc/75/44/28/460754428.db2.gz ZTPHWMLRUIHOFD-UHFFFAOYSA-N 1 0 333.432 3.448 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000601229209 460758774 /nfs/dbraw/zinc/75/87/74/460758774.db2.gz IYDWDMZUGDIZTM-UHFFFAOYSA-N 1 0 336.436 3.088 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000601745133 460888277 /nfs/dbraw/zinc/88/82/77/460888277.db2.gz RNXHGWDNSITWBK-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccc(F)cc1 ZINC000055022846 546557417 /nfs/dbraw/zinc/55/74/17/546557417.db2.gz UZONHBRYSGJKHN-UHFFFAOYSA-N 1 0 345.374 3.237 10 5 EGBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022841 546557498 /nfs/dbraw/zinc/55/74/98/546557498.db2.gz BQJYIRCUWDQNTJ-CYBMUJFWSA-N 1 0 345.374 3.235 10 5 EGBERO C[C@@]1(CNc2ccc([N+](=O)[O-])nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000398080684 547835230 /nfs/dbraw/zinc/83/52/30/547835230.db2.gz RRLYMTIXVCXJMN-SFHVURJKSA-N 1 0 326.400 3.456 10 5 EGBERO CC1([NH+]2CCCC2)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870252179 1295766144 /nfs/dbraw/zinc/76/61/44/1295766144.db2.gz MAPCEXAXAUDIBS-RMKNXTFCSA-N 1 0 343.427 3.085 10 5 EGBERO COc1cccc(C(=O)O[C@@H](C)C[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000870784718 1296078858 /nfs/dbraw/zinc/07/88/58/1296078858.db2.gz JZEOOYSAPOOVAN-STQMWFEESA-N 1 0 336.388 3.023 10 5 EGBERO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033133 1296682806 /nfs/dbraw/zinc/68/28/06/1296682806.db2.gz BRLYZBXEVLRWIR-GFCCVEGCSA-N 1 0 337.395 3.033 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000872073402 1296718300 /nfs/dbraw/zinc/71/83/00/1296718300.db2.gz QLVIDENSEMBNIK-QWRGUYRKSA-N 1 0 332.429 3.248 10 5 EGBERO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075551 1296721201 /nfs/dbraw/zinc/72/12/01/1296721201.db2.gz DOCUNRBVGJTLKE-MKBNYLNASA-N 1 0 348.378 3.038 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[C@H]3CCCC3(F)F)C2)nc1 ZINC000878251855 1299865364 /nfs/dbraw/zinc/86/53/64/1299865364.db2.gz UVSDRQBLMSQTIZ-OLZOCXBDSA-N 1 0 340.374 3.302 10 5 EGBERO CC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878370862 1299953178 /nfs/dbraw/zinc/95/31/78/1299953178.db2.gz NEDAOYPTXLHBOQ-IAGOWNOFSA-N 1 0 334.416 3.364 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879671461 1300667267 /nfs/dbraw/zinc/66/72/67/1300667267.db2.gz LSHNZCSWJSBTNM-MCIONIFRSA-N 1 0 330.306 3.115 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882511263 1301998873 /nfs/dbraw/zinc/99/88/73/1301998873.db2.gz OGUPZJITYJGXKZ-PFONDFGASA-N 1 0 343.427 3.085 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)O2)CO1 ZINC000886331321 1303436426 /nfs/dbraw/zinc/43/64/26/1303436426.db2.gz DTNNSROKYDSBQM-XFJVYGCCSA-N 1 0 340.807 3.064 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)O2)CO1 ZINC000886333443 1303437199 /nfs/dbraw/zinc/43/71/99/1303437199.db2.gz ILDRILNNMQQNDL-WPGHFRTFSA-N 1 0 340.807 3.064 10 5 EGBERO CC1(C)OCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930606424 1328911781 /nfs/dbraw/zinc/91/17/81/1328911781.db2.gz OOOGLEHFBSEBQM-LBPRGKRZSA-N 1 0 329.194 3.014 10 5 EGBERO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C(C)C ZINC000859367122 1328977337 /nfs/dbraw/zinc/97/73/37/1328977337.db2.gz ZOCOHRKPBCINFM-UHFFFAOYSA-N 1 0 329.400 3.208 10 5 EGBERO NC(=O)CC1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000922513713 1322546021 /nfs/dbraw/zinc/54/60/21/1322546021.db2.gz HLEGWCRPXCCADU-UHFFFAOYSA-N 1 0 345.424 3.067 10 5 EGBERO Cc1c(CN[C@H](CC[NH+](C)C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000922630195 1322575335 /nfs/dbraw/zinc/57/53/35/1322575335.db2.gz OMYSHCXQSTVWDS-QGZVFWFLSA-N 1 0 328.416 3.081 10 5 EGBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859719454 1329062938 /nfs/dbraw/zinc/06/29/38/1329062938.db2.gz KMTSCXWGSCWGRR-AWEZNQCLSA-N 1 0 341.411 3.162 10 5 EGBERO COc1ccc(C[NH2+][C@H](C)c2ccnn2CC2CCC2)cc1[N+](=O)[O-] ZINC000924843116 1323184138 /nfs/dbraw/zinc/18/41/38/1323184138.db2.gz YIWMXKQPGGSDFB-CYBMUJFWSA-N 1 0 344.415 3.451 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccns1 ZINC000860053687 1329136125 /nfs/dbraw/zinc/13/61/25/1329136125.db2.gz BYJLGQMDVPECKW-LLVKDONJSA-N 1 0 334.401 3.039 10 5 EGBERO CCC[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791539 1325302980 /nfs/dbraw/zinc/30/29/80/1325302980.db2.gz ATYXVNTYXIQGBL-SJLPKXTDSA-N 1 0 347.459 3.184 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000926959615 1327797149 /nfs/dbraw/zinc/79/71/49/1327797149.db2.gz SJZIHFKUNTZDAH-YGRLFVJLSA-N 1 0 349.353 3.137 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000862465266 1329488512 /nfs/dbraw/zinc/48/85/12/1329488512.db2.gz PGBFJIFHBRLBLN-AWEZNQCLSA-N 1 0 342.351 3.206 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCCS3)CC2)cc1 ZINC000866479843 1330117528 /nfs/dbraw/zinc/11/75/28/1330117528.db2.gz ZVGWKEJRZBHVPT-QGZVFWFLSA-N 1 0 335.473 3.439 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866532702 1330122890 /nfs/dbraw/zinc/12/28/90/1330122890.db2.gz LVGIUZAUNZHEMS-WBVHZDCISA-N 1 0 348.443 3.091 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185323568 1387683399 /nfs/dbraw/zinc/68/33/99/1387683399.db2.gz QRGGOCWHXOOGIQ-CQSZACIVSA-N 1 0 346.406 3.380 10 5 EGBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195307716 1368417798 /nfs/dbraw/zinc/41/77/98/1368417798.db2.gz VUQRFRQAIYUMFW-UKRRQHHQSA-N 1 0 331.416 3.434 10 5 EGBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118811552 1371234658 /nfs/dbraw/zinc/23/46/58/1371234658.db2.gz BVKBKDOBWXQIAU-HNNXBMFYSA-N 1 0 339.395 3.058 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(/C=C\[C@H]2CCC[NH2+]C2)n1 ZINC001119002818 1371264354 /nfs/dbraw/zinc/26/43/54/1371264354.db2.gz XGHBYEQRMFJYCR-CFHLNLSMSA-N 1 0 328.372 3.274 10 5 EGBERO COc1cc(NCC[N@@H+]2CCC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001187860841 1388179907 /nfs/dbraw/zinc/17/99/07/1388179907.db2.gz DIRZMPAJADQJDG-UHFFFAOYSA-N 1 0 327.812 3.401 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001135494681 1377117791 /nfs/dbraw/zinc/11/77/91/1377117791.db2.gz ILMDNNIQCPRTDC-UHFFFAOYSA-N 1 0 331.416 3.415 10 5 EGBERO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001148757261 1379262235 /nfs/dbraw/zinc/26/22/35/1379262235.db2.gz FUTXHNSCAOYIHO-CQSZACIVSA-N 1 0 333.432 3.106 10 5 EGBERO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163617168 1383089385 /nfs/dbraw/zinc/08/93/85/1383089385.db2.gz CRCKIFIFXQOXPQ-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163617169 1383090014 /nfs/dbraw/zinc/09/00/14/1383090014.db2.gz CRCKIFIFXQOXPQ-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001164294180 1383175204 /nfs/dbraw/zinc/17/52/04/1383175204.db2.gz JBOLJGLMRXHOBU-SNVBAGLBSA-N 1 0 335.795 3.088 10 5 EGBERO C[NH+](C)C1(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001298142269 1383378616 /nfs/dbraw/zinc/37/86/16/1383378616.db2.gz POPPKKULBBXVOV-MRXNPFEDSA-N 1 0 345.443 3.175 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001299305683 1383504991 /nfs/dbraw/zinc/50/49/91/1383504991.db2.gz CRSJGQSINKJRCJ-UHFFFAOYSA-N 1 0 331.347 3.356 10 5 EGBERO COc1cccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC(C)C)c1 ZINC001167199262 1383564573 /nfs/dbraw/zinc/56/45/73/1383564573.db2.gz JDJGGJYKPAKPCH-UHFFFAOYSA-N 1 0 346.431 3.267 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001168336573 1383876989 /nfs/dbraw/zinc/87/69/89/1383876989.db2.gz AOPAMFXBOSYHOD-GJZGRUSLSA-N 1 0 345.443 3.123 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C12CCC2 ZINC001307165910 1383948921 /nfs/dbraw/zinc/94/89/21/1383948921.db2.gz VJIKTHAPHZBLFI-CVEARBPZSA-N 1 0 326.400 3.428 10 5 EGBERO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001307184221 1383952357 /nfs/dbraw/zinc/95/23/57/1383952357.db2.gz IXQGLZPURPFTHN-MRXNPFEDSA-N 1 0 343.431 3.185 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC001307236933 1383962606 /nfs/dbraw/zinc/96/26/06/1383962606.db2.gz RKXSYILRZFXEBI-AWEZNQCLSA-N 1 0 349.793 3.408 10 5 EGBERO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307931041 1384058435 /nfs/dbraw/zinc/05/84/35/1384058435.db2.gz WAIJLFLHEZCTEP-NOZJJQNGSA-N 1 0 332.231 3.426 10 5 EGBERO C[N@H+](CCCNC(=O)C1C(C)(C)C1(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001316821577 1384616987 /nfs/dbraw/zinc/61/69/87/1384616987.db2.gz YMYUIRISMQPQAB-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001174622797 1385127319 /nfs/dbraw/zinc/12/73/19/1385127319.db2.gz NIVBZNNTQBXKSA-ZIAGYGMSSA-N 1 0 349.431 3.443 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001180535059 1386829073 /nfs/dbraw/zinc/82/90/73/1386829073.db2.gz VXXRUIFZVZRBQQ-AEFFLSMTSA-N 1 0 345.443 3.238 10 5 EGBERO CC1(C(=O)N2CCC(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001698694678 1406338351 /nfs/dbraw/zinc/33/83/51/1406338351.db2.gz OYIPHFXTJROFLY-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001322634117 1387217397 /nfs/dbraw/zinc/21/73/97/1387217397.db2.gz ZUGLWWNVTSQBDP-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1c(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001344521519 1390797078 /nfs/dbraw/zinc/79/70/78/1390797078.db2.gz AGETWRZXSLSNDG-UHFFFAOYSA-N 1 0 334.420 3.288 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001347662281 1391108121 /nfs/dbraw/zinc/10/81/21/1391108121.db2.gz VDVSOKFQTBTNET-NSHDSACASA-N 1 0 327.812 3.098 10 5 EGBERO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001480164399 1392606073 /nfs/dbraw/zinc/60/60/73/1392606073.db2.gz GQTVJJAZXCMCGK-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001689917215 1404207422 /nfs/dbraw/zinc/20/74/22/1404207422.db2.gz LRZIDMQSMQXKGD-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO CC[N@H+](CCCNC(=O)c1occc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001689918736 1404208814 /nfs/dbraw/zinc/20/88/14/1404208814.db2.gz OOJAFFAINOUHGD-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CCC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001732310866 1428523945 /nfs/dbraw/zinc/52/39/45/1428523945.db2.gz WRGCHZCGQWHQEF-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713966714 1418745829 /nfs/dbraw/zinc/74/58/29/1418745829.db2.gz CJDCAHZCWQCXNE-SHTZXODSSA-N 1 0 333.432 3.158 10 5 EGBERO CC/C(C)=C/C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715089880 1419830092 /nfs/dbraw/zinc/83/00/92/1419830092.db2.gz AOGGZHNENXOXFZ-NTCAYCPXSA-N 1 0 345.443 3.470 10 5 EGBERO CC(C)C(C)(C)C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715838297 1420362712 /nfs/dbraw/zinc/36/27/12/1420362712.db2.gz CDMXANTZAGFXJV-UHFFFAOYSA-N 1 0 335.448 3.167 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001716273670 1420590645 /nfs/dbraw/zinc/59/06/45/1420590645.db2.gz VEIJEENWIOHAMA-AATRIKPKSA-N 1 0 345.443 3.327 10 5 EGBERO CC(C)CCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001717146964 1421139373 /nfs/dbraw/zinc/13/93/73/1421139373.db2.gz ZXAHLKGTONKSMZ-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CC=CC1 ZINC001717158035 1421147180 /nfs/dbraw/zinc/14/71/80/1421147180.db2.gz IEBUVACBIHVDJX-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001731279629 1427223895 /nfs/dbraw/zinc/22/38/95/1427223895.db2.gz LGQJPXWFXOWNEE-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CCc1ccsc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001731987169 1428197672 /nfs/dbraw/zinc/19/76/72/1428197672.db2.gz ZPNDIYWSWQUZJE-UHFFFAOYSA-N 1 0 347.440 3.081 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000266431518 201220665 /nfs/dbraw/zinc/22/06/65/201220665.db2.gz DIFWCLBHXNTTJP-QWHCGFSZSA-N 1 0 335.404 3.255 10 5 EGBERO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000060403654 202782754 /nfs/dbraw/zinc/78/27/54/202782754.db2.gz XPRAHVAFQIQWPE-UHFFFAOYSA-N 1 0 344.415 3.021 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132836968 205342946 /nfs/dbraw/zinc/34/29/46/205342946.db2.gz HFQYYCDKLUXYFW-WBVHZDCISA-N 1 0 333.432 3.083 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000159849259 206266668 /nfs/dbraw/zinc/26/66/68/206266668.db2.gz RJWKVYYRUHGVRI-UHFFFAOYSA-N 1 0 345.399 3.184 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377660271 169056075 /nfs/dbraw/zinc/05/60/75/169056075.db2.gz VETCGMISISDDJG-SJLPKXTDSA-N 1 0 347.365 3.408 10 5 EGBERO C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000344739818 144217825 /nfs/dbraw/zinc/21/78/25/144217825.db2.gz JZQTXVBUBZBOME-ZDUSSCGKSA-N 1 0 338.367 3.337 10 5 EGBERO C[C@@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341108266 155162689 /nfs/dbraw/zinc/16/26/89/155162689.db2.gz HZMYLOZUOOEAOS-QLFBSQMISA-N 1 0 348.447 3.218 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000341487975 155319993 /nfs/dbraw/zinc/31/99/93/155319993.db2.gz XVJUJXTWUBPPDQ-UHFFFAOYSA-N 1 0 328.416 3.323 10 5 EGBERO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000337313485 154277585 /nfs/dbraw/zinc/27/75/85/154277585.db2.gz GYFNUWGVXGLMLI-OAHLLOKOSA-N 1 0 349.431 3.205 10 5 EGBERO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000127100118 162321496 /nfs/dbraw/zinc/32/14/96/162321496.db2.gz JTIJCDWCPHFGEH-QGZVFWFLSA-N 1 0 343.431 3.222 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000248971641 163048023 /nfs/dbraw/zinc/04/80/23/163048023.db2.gz GSECBIWNQDLWFP-XOKHGSTOSA-N 1 0 334.416 3.220 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000249102559 163056416 /nfs/dbraw/zinc/05/64/16/163056416.db2.gz PSYQVRNUVUQCKV-GJZGRUSLSA-N 1 0 346.431 3.302 10 5 EGBERO CC1(C2CC2)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000352187530 165274584 /nfs/dbraw/zinc/27/45/84/165274584.db2.gz CLBKUMFTXOQCCX-KRWDZBQOSA-N 1 0 343.427 3.212 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2OCC[NH+](C)C)n1 ZINC000359110597 167069285 /nfs/dbraw/zinc/06/92/85/167069285.db2.gz SDVHLOPNORUHNE-UHFFFAOYSA-N 1 0 344.415 3.159 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359557214 167192356 /nfs/dbraw/zinc/19/23/56/167192356.db2.gz MYMHYWAPLJIPQV-FZKQIMNGSA-N 1 0 347.415 3.054 10 5 EGBERO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000359801165 167236293 /nfs/dbraw/zinc/23/62/93/167236293.db2.gz OUGKNYQQVQZXRI-CQSZACIVSA-N 1 0 332.379 3.158 10 5 EGBERO COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000185686407 275215998 /nfs/dbraw/zinc/21/59/98/275215998.db2.gz BKTBBJDWDNTAEA-KUHUBIRLSA-N 1 0 343.427 3.384 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000278616676 275259405 /nfs/dbraw/zinc/25/94/05/275259405.db2.gz FSRBCCDWXIIHMJ-QWRGUYRKSA-N 1 0 345.321 3.196 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000265996436 276224071 /nfs/dbraw/zinc/22/40/71/276224071.db2.gz NXBULZJRJZEWCL-WFASDCNBSA-N 1 0 345.399 3.143 10 5 EGBERO Cc1c(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000185717570 280244338 /nfs/dbraw/zinc/24/43/38/280244338.db2.gz JWAMJRJCCCECTH-ZDUSSCGKSA-N 1 0 334.420 3.289 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)o1 ZINC000414568717 309090000 /nfs/dbraw/zinc/09/00/00/309090000.db2.gz HYFMDHVOXUQQGO-ZIAGYGMSSA-N 1 0 330.384 3.496 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)o1 ZINC000414568715 309090005 /nfs/dbraw/zinc/09/00/05/309090005.db2.gz HYFMDHVOXUQQGO-KGLIPLIRSA-N 1 0 330.384 3.496 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)[C@@H](O)C(F)F ZINC000296308791 308414277 /nfs/dbraw/zinc/41/42/77/308414277.db2.gz GFJYIDUQDKJYGN-JTNHKYCSSA-N 1 0 348.415 3.460 10 5 EGBERO C[NH+](C)CC1(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000330894005 308799982 /nfs/dbraw/zinc/79/99/82/308799982.db2.gz ZEKDPQFQNUKRDN-UHFFFAOYSA-N 1 0 347.459 3.458 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349331542 308884292 /nfs/dbraw/zinc/88/42/92/308884292.db2.gz LNQNGSOCRXKPCF-CORIIIEPSA-N 1 0 346.349 3.209 10 5 EGBERO C[NH2+]CC1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000415699425 309141340 /nfs/dbraw/zinc/14/13/40/309141340.db2.gz IQQHIMYURPRLHA-UHFFFAOYSA-N 1 0 348.447 3.356 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]34CCOC4)o2)c([N+](=O)[O-])c1 ZINC000421401707 309323036 /nfs/dbraw/zinc/32/30/36/309323036.db2.gz USHJSEPOBOGXIF-SFHVURJKSA-N 1 0 344.367 3.228 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216029 309390905 /nfs/dbraw/zinc/39/09/05/309390905.db2.gz RHDYDNAYQLORGJ-BEFAXECRSA-N 1 0 325.412 3.273 10 5 EGBERO COc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000427463979 309529607 /nfs/dbraw/zinc/52/96/07/309529607.db2.gz UWJCPFGEROCDRG-UHFFFAOYSA-N 1 0 335.404 3.054 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419012 310060317 /nfs/dbraw/zinc/06/03/17/310060317.db2.gz GKSCSXZOLAEASY-RTBURBONSA-N 1 0 344.386 3.203 10 5 EGBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451586356 310187871 /nfs/dbraw/zinc/18/78/71/310187871.db2.gz HNUPHKVFHPYHII-OLZOCXBDSA-N 1 0 326.780 3.070 10 5 EGBERO O=[N+]([O-])c1cccnc1N1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000459506019 310557205 /nfs/dbraw/zinc/55/72/05/310557205.db2.gz JIIJJRBWLHXZJV-WTKPLQERSA-N 1 0 338.411 3.215 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC4(C3)CCOCC4)o2)c1 ZINC000459609841 310564306 /nfs/dbraw/zinc/56/43/06/310564306.db2.gz BMOXURQTLHYZHL-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000475160830 310808007 /nfs/dbraw/zinc/80/80/07/310808007.db2.gz ZCSBKBQUNQWYKO-BPQIPLTHSA-N 1 0 336.432 3.139 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000480476774 310895128 /nfs/dbraw/zinc/89/51/28/310895128.db2.gz PFOYNVFMSKHOQF-SFHVURJKSA-N 1 0 336.432 3.414 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000549614070 315099066 /nfs/dbraw/zinc/09/90/66/315099066.db2.gz MGCLPASKNDZSEJ-MPGHIAIKSA-N 1 0 348.443 3.122 10 5 EGBERO CCCn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000566760881 316523567 /nfs/dbraw/zinc/52/35/67/316523567.db2.gz ZNSIAZGBPOFSPJ-UHFFFAOYSA-N 1 0 327.388 3.015 10 5 EGBERO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000179925139 323412567 /nfs/dbraw/zinc/41/25/67/323412567.db2.gz MZXPMSBFBIULIG-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000185091470 323687720 /nfs/dbraw/zinc/68/77/20/323687720.db2.gz MSXCXHOXXWINCY-CYBMUJFWSA-N 1 0 348.428 3.429 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[nH]cc2-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351097492 324170047 /nfs/dbraw/zinc/17/00/47/324170047.db2.gz QYRKCTMWYVXTOL-UHFFFAOYSA-N 1 0 346.306 3.441 10 5 EGBERO CO[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000576438772 324613863 /nfs/dbraw/zinc/61/38/63/324613863.db2.gz UDFLZSFOBKWHNE-DLBZAZTESA-N 1 0 329.400 3.166 10 5 EGBERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180934053 455266652 /nfs/dbraw/zinc/26/66/52/455266652.db2.gz YSUQGQZSBQWYKF-NVXWUHKLSA-N 1 0 341.415 3.095 10 5 EGBERO C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600707482 460574406 /nfs/dbraw/zinc/57/44/06/460574406.db2.gz BEEPZFNIJVJBEZ-DKSSEZFCSA-N 1 0 325.412 3.414 10 5 EGBERO COc1cc2cc[n+](Cc3ccc([N+](=O)[O-])cc3)cc2cc1OC ZINC000007787109 453115735 /nfs/dbraw/zinc/11/57/35/453115735.db2.gz WDRCZAFHCUULMA-UHFFFAOYSA-N 1 0 325.344 3.101 10 5 EGBERO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600773431 460597145 /nfs/dbraw/zinc/59/71/45/460597145.db2.gz NFYIASKYGZEFSJ-ZUZCIYMTSA-N 1 0 335.791 3.348 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000181812981 455385327 /nfs/dbraw/zinc/38/53/27/455385327.db2.gz DWJNJYWKQIFYRH-NSHDSACASA-N 1 0 349.337 3.471 10 5 EGBERO Cc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000068366460 454020813 /nfs/dbraw/zinc/02/08/13/454020813.db2.gz KSIPFAGHANABKG-UHFFFAOYSA-N 1 0 331.372 3.265 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000093970186 454181696 /nfs/dbraw/zinc/18/16/96/454181696.db2.gz AWBKCGDLKLMIHX-CQSZACIVSA-N 1 0 333.432 3.124 10 5 EGBERO COc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095432540 454211918 /nfs/dbraw/zinc/21/19/18/454211918.db2.gz PZBRCUUCGLBWSR-GUYCJALGSA-N 1 0 330.384 3.330 10 5 EGBERO Cc1[nH]c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095976603 454247125 /nfs/dbraw/zinc/24/71/25/454247125.db2.gz CILABTHQFNHAID-CVEARBPZSA-N 1 0 344.415 3.029 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032483 454390162 /nfs/dbraw/zinc/39/01/62/454390162.db2.gz QEECMYGGKZDQKJ-ZFWWWQNUSA-N 1 0 344.415 3.164 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091478159 454439817 /nfs/dbraw/zinc/43/98/17/454439817.db2.gz CHMWQHAANFFKSZ-IYBDPMFKSA-N 1 0 347.459 3.229 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000091737355 454464834 /nfs/dbraw/zinc/46/48/34/454464834.db2.gz MAIWKBHHARITLU-UKRRQHHQSA-N 1 0 333.432 3.075 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122056769 454506791 /nfs/dbraw/zinc/50/67/91/454506791.db2.gz VGAIORBUXUXWAF-ZZXKWVIFSA-N 1 0 326.400 3.217 10 5 EGBERO C[C@@H](C(=O)N(C)c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153204045 454770342 /nfs/dbraw/zinc/77/03/42/454770342.db2.gz ZHMIBWIXHMSWNJ-AWEZNQCLSA-N 1 0 339.395 3.004 10 5 EGBERO Cc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000153803258 454835637 /nfs/dbraw/zinc/83/56/37/454835637.db2.gz PSBJHTJSUZPSSL-UHFFFAOYSA-N 1 0 334.420 3.145 10 5 EGBERO CCC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378460 454842802 /nfs/dbraw/zinc/84/28/02/454842802.db2.gz MXEFAXYUCSALIT-ZWKOTPCHSA-N 1 0 335.448 3.136 10 5 EGBERO C[C@H](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000182227984 455466974 /nfs/dbraw/zinc/46/69/74/455466974.db2.gz AXNZOPGZFGYUIP-CYBMUJFWSA-N 1 0 344.415 3.070 10 5 EGBERO Cc1sc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000149370239 454876026 /nfs/dbraw/zinc/87/60/26/454876026.db2.gz AESGFFZFPXJVSN-LBPRGKRZSA-N 1 0 339.461 3.349 10 5 EGBERO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000154952021 454947193 /nfs/dbraw/zinc/94/71/93/454947193.db2.gz BWENQRIHQCRVSJ-CQSZACIVSA-N 1 0 333.432 3.194 10 5 EGBERO CC[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000151515094 454995739 /nfs/dbraw/zinc/99/57/39/454995739.db2.gz HJNCQWUULDEZDB-QGZVFWFLSA-N 1 0 337.383 3.416 10 5 EGBERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179012781 454999294 /nfs/dbraw/zinc/99/92/94/454999294.db2.gz MSGHLICXYINZNH-IRXDYDNUSA-N 1 0 340.383 3.162 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000185110791 455503280 /nfs/dbraw/zinc/50/32/80/455503280.db2.gz RTHRVBDABVIAQJ-ZDUSSCGKSA-N 1 0 348.428 3.429 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3CO)cs2)c1 ZINC000152334512 455103465 /nfs/dbraw/zinc/10/34/65/455103465.db2.gz UJGICVMWOHHFPB-XJKSGUPXSA-N 1 0 347.440 3.359 10 5 EGBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182902389 455188053 /nfs/dbraw/zinc/18/80/53/455188053.db2.gz VOEDNQRETSMVRC-OKACTXMXSA-N 1 0 345.443 3.188 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181526194 455349906 /nfs/dbraw/zinc/34/99/06/455349906.db2.gz UXTOAFQDDWVROA-KRWDZBQOSA-N 1 0 327.384 3.299 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182085226 455431604 /nfs/dbraw/zinc/43/16/04/455431604.db2.gz HVRNPKDQDLLRRB-HNNXBMFYSA-N 1 0 341.411 3.154 10 5 EGBERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246932642 455536610 /nfs/dbraw/zinc/53/66/10/455536610.db2.gz HDQKPHUPFYOUOD-RHSMWYFYSA-N 1 0 348.447 3.077 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000182749507 455581255 /nfs/dbraw/zinc/58/12/55/455581255.db2.gz HDBLTFGCTPOLOI-CQSZACIVSA-N 1 0 341.415 3.331 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247801061 455646831 /nfs/dbraw/zinc/64/68/31/455646831.db2.gz VFKMCJGDYZTCRR-OCCSQVGLSA-N 1 0 349.456 3.016 10 5 EGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764804 455873706 /nfs/dbraw/zinc/87/37/06/455873706.db2.gz AIICQQSRKUISSK-DANOYGIBSA-N 1 0 326.400 3.278 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285790962 455917608 /nfs/dbraw/zinc/91/76/08/455917608.db2.gz XUUWFIKHPOLVFY-BZNIZROVSA-N 1 0 327.375 3.035 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000301546543 456143590 /nfs/dbraw/zinc/14/35/90/456143590.db2.gz FDRCMCRSMGGRAQ-UHFFFAOYSA-N 1 0 346.475 3.265 10 5 EGBERO COc1cncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000601112836 460715855 /nfs/dbraw/zinc/71/58/55/460715855.db2.gz HOSNFFUZXRIACE-UHFFFAOYSA-N 1 0 335.791 3.293 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000301750353 456205075 /nfs/dbraw/zinc/20/50/75/456205075.db2.gz ALLHJXUTCOVCSD-GFCCVEGCSA-N 1 0 337.395 3.196 10 5 EGBERO COc1ccc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000237153662 456239203 /nfs/dbraw/zinc/23/92/03/456239203.db2.gz SWBHUNAKHGEEMZ-UGSOOPFHSA-N 1 0 336.432 3.270 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H](O)C(F)F)s1 ZINC000601147409 460730639 /nfs/dbraw/zinc/73/06/39/460730639.db2.gz MRPWYTLMMVUGOK-ZDUSSCGKSA-N 1 0 342.367 3.429 10 5 EGBERO CC[N@@H+]1CC[C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787104 456430239 /nfs/dbraw/zinc/43/02/39/456430239.db2.gz CRVYPGMKKZRFLT-JTQLQIEISA-N 1 0 332.231 3.333 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000282428188 456510205 /nfs/dbraw/zinc/51/02/05/456510205.db2.gz MDUSDDOTIGYDFO-BBRMVZONSA-N 1 0 328.416 3.317 10 5 EGBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226678 456548647 /nfs/dbraw/zinc/54/86/47/456548647.db2.gz IBHMTHZXEODMPT-ZWNOBZJWSA-N 1 0 345.321 3.196 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000338186848 456692229 /nfs/dbraw/zinc/69/22/29/456692229.db2.gz TUGNKBDEUNUSIM-RNJTYBCJSA-N 1 0 348.443 3.365 10 5 EGBERO Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301230411 456827363 /nfs/dbraw/zinc/82/73/63/456827363.db2.gz JALAFUBJGYQHAZ-LBPRGKRZSA-N 1 0 329.404 3.112 10 5 EGBERO C[NH+](C)C1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000338903454 456867529 /nfs/dbraw/zinc/86/75/29/456867529.db2.gz KYYFRPZCMNOQQF-UHFFFAOYSA-N 1 0 331.338 3.140 10 5 EGBERO CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349836640 457071560 /nfs/dbraw/zinc/07/15/60/457071560.db2.gz ACGBGODMLACFAN-IBGZPJMESA-N 1 0 325.412 3.301 10 5 EGBERO Cn1cc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000342293992 457218848 /nfs/dbraw/zinc/21/88/48/457218848.db2.gz HEOZOWGLOMOHAJ-MRXNPFEDSA-N 1 0 332.404 3.084 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000370619527 457682969 /nfs/dbraw/zinc/68/29/69/457682969.db2.gz AWEXGJQJVVBFKD-OAHLLOKOSA-N 1 0 340.423 3.035 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000374824168 457713617 /nfs/dbraw/zinc/71/36/17/457713617.db2.gz AEKRMJXBUOMNIU-AGUYFDCRSA-N 1 0 332.429 3.300 10 5 EGBERO COCCN1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166794 457768139 /nfs/dbraw/zinc/76/81/39/457768139.db2.gz GZLNXOLGULZNAD-YJBOKZPZSA-N 1 0 347.459 3.018 10 5 EGBERO CC[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358169205 457830853 /nfs/dbraw/zinc/83/08/53/457830853.db2.gz CUMTZVFYWRAOBF-UZUQRXQVSA-N 1 0 332.425 3.443 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000371546175 457982524 /nfs/dbraw/zinc/98/25/24/457982524.db2.gz LAGCXKUZFKEWMW-APWZRJJASA-N 1 0 342.395 3.341 10 5 EGBERO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C)C ZINC000434794572 458052400 /nfs/dbraw/zinc/05/24/00/458052400.db2.gz FMWKVZHQAIBSAY-UHFFFAOYSA-N 1 0 348.428 3.387 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412042200 458061761 /nfs/dbraw/zinc/06/17/61/458061761.db2.gz MHJYPXHAFJSDLJ-LBPRGKRZSA-N 1 0 335.404 3.052 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cn1 ZINC000428662085 458187533 /nfs/dbraw/zinc/18/75/33/458187533.db2.gz CJLFPSSOLMNFOL-INIZCTEOSA-N 1 0 344.440 3.019 10 5 EGBERO CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535656 458306806 /nfs/dbraw/zinc/30/68/06/458306806.db2.gz HOZWBVJZBAZDCD-IAGOWNOFSA-N 1 0 349.479 3.129 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCC(F)(F)C2)n1 ZINC000447579110 458315414 /nfs/dbraw/zinc/31/54/14/458315414.db2.gz JAAXJOVFABKHMZ-RWMBFGLXSA-N 1 0 328.363 3.443 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)CC3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000438337810 458565878 /nfs/dbraw/zinc/56/58/78/458565878.db2.gz NOBWGRISXYWWOI-UHFFFAOYSA-N 1 0 346.383 3.068 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC2CC(O)C2)c2ccccc2)c1 ZINC000432421751 458737170 /nfs/dbraw/zinc/73/71/70/458737170.db2.gz QNTKYFGTMWPVFP-FPCQFERPSA-N 1 0 326.396 3.435 10 5 EGBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000432985310 458823332 /nfs/dbraw/zinc/82/33/32/458823332.db2.gz MTCKFEJBLAKAHP-SSDMNJCBSA-N 1 0 345.399 3.061 10 5 EGBERO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000475747166 458963853 /nfs/dbraw/zinc/96/38/53/458963853.db2.gz JRZOKUSYFMBLEZ-MCIONIFRSA-N 1 0 349.431 3.298 10 5 EGBERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000441636308 458965603 /nfs/dbraw/zinc/96/56/03/458965603.db2.gz RPLKGYPTDQHUPQ-INIZCTEOSA-N 1 0 333.432 3.458 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000531722601 458967209 /nfs/dbraw/zinc/96/72/09/458967209.db2.gz RPIBMPAHCDILNB-CQSZACIVSA-N 1 0 326.396 3.084 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000441941807 458984651 /nfs/dbraw/zinc/98/46/51/458984651.db2.gz MAAZFQJVIUIFBB-UHFFFAOYSA-N 1 0 347.459 3.109 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000594978526 459203751 /nfs/dbraw/zinc/20/37/51/459203751.db2.gz DFCRAABKNPFERD-SUMWQHHRSA-N 1 0 348.834 3.483 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000595027183 459221247 /nfs/dbraw/zinc/22/12/47/459221247.db2.gz QNOTZGBPWQKQNR-RYUDHWBXSA-N 1 0 346.431 3.236 10 5 EGBERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000595051512 459229409 /nfs/dbraw/zinc/22/94/09/459229409.db2.gz VNRBQMXBGHRERB-VNQPRFMTSA-N 1 0 329.404 3.063 10 5 EGBERO CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595061770 459231401 /nfs/dbraw/zinc/23/14/01/459231401.db2.gz MRUNVMZTJMVYOH-XOYOTBSWSA-N 1 0 336.432 3.202 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000595062970 459232844 /nfs/dbraw/zinc/23/28/44/459232844.db2.gz YIDVKFOUBVIAIY-GOSISDBHSA-N 1 0 339.395 3.008 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000595078763 459239411 /nfs/dbraw/zinc/23/94/11/459239411.db2.gz ARMMDFIBSFNNNP-BMGDILEWSA-N 1 0 340.427 3.317 10 5 EGBERO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc21 ZINC000595257576 459263416 /nfs/dbraw/zinc/26/34/16/459263416.db2.gz ZCJXIQKBKSKCDI-CQSZACIVSA-N 1 0 325.368 3.226 10 5 EGBERO CC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591306204 459350456 /nfs/dbraw/zinc/35/04/56/459350456.db2.gz KIQDFBDHSCHSAI-SWLSCSKDSA-N 1 0 348.447 3.483 10 5 EGBERO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000484643853 459424762 /nfs/dbraw/zinc/42/47/62/459424762.db2.gz DTMNLFVEMGAUHD-ROUUACIJSA-N 1 0 344.415 3.080 10 5 EGBERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000541335237 459445145 /nfs/dbraw/zinc/44/51/45/459445145.db2.gz FAJJKVWTHGMDLL-UHFFFAOYSA-N 1 0 334.416 3.465 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595828175 459455876 /nfs/dbraw/zinc/45/58/76/459455876.db2.gz VCYDOYABTWDZEV-JQWIXIFHSA-N 1 0 330.306 3.082 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595832738 459457694 /nfs/dbraw/zinc/45/76/94/459457694.db2.gz YMBMJWUTXJXAEQ-MRXNPFEDSA-N 1 0 328.368 3.257 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595877284 459471568 /nfs/dbraw/zinc/47/15/68/459471568.db2.gz IRZHKDNOPNUXHU-HNNXBMFYSA-N 1 0 339.395 3.195 10 5 EGBERO CCOc1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000595908412 459483234 /nfs/dbraw/zinc/48/32/34/459483234.db2.gz IBYYNQCJJMUJQK-KDURUIRLSA-N 1 0 346.427 3.386 10 5 EGBERO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000596070509 459508687 /nfs/dbraw/zinc/50/86/87/459508687.db2.gz QJERQCWYJCOBPF-UHFFFAOYSA-N 1 0 347.337 3.492 10 5 EGBERO CC[NH+]1CCC(CNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596085190 459514671 /nfs/dbraw/zinc/51/46/71/459514671.db2.gz CTCXVFYWXGYRBI-UHFFFAOYSA-N 1 0 327.812 3.401 10 5 EGBERO COc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596128114 459529855 /nfs/dbraw/zinc/52/98/55/459529855.db2.gz DRWTYJMIUMHYFR-LLVKDONJSA-N 1 0 327.812 3.035 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592130976 459530591 /nfs/dbraw/zinc/53/05/91/459530591.db2.gz NLKGBDOQNYTSIA-BZSNNMDCSA-N 1 0 348.443 3.269 10 5 EGBERO C[C@H]1CC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000592132856 459531751 /nfs/dbraw/zinc/53/17/51/459531751.db2.gz OFEXYPPLVOCVIF-DKIMLUQUSA-N 1 0 348.443 3.268 10 5 EGBERO COc1cc(NCC2(C)CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596188101 459553391 /nfs/dbraw/zinc/55/33/91/459553391.db2.gz AMBLQGCPQXUIIP-UHFFFAOYSA-N 1 0 327.812 3.401 10 5 EGBERO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592339855 459576536 /nfs/dbraw/zinc/57/65/36/459576536.db2.gz IJXZYIFZZBJDAZ-QWRGUYRKSA-N 1 0 337.445 3.095 10 5 EGBERO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000592396707 459591550 /nfs/dbraw/zinc/59/15/50/459591550.db2.gz JDVAZHOSYSWBIO-LJISPDSOSA-N 1 0 336.436 3.211 10 5 EGBERO COCC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583835354 459604933 /nfs/dbraw/zinc/60/49/33/459604933.db2.gz AULZLSJGKOEQDK-GUYCJALGSA-N 1 0 331.416 3.413 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596487794 459654418 /nfs/dbraw/zinc/65/44/18/459654418.db2.gz JVFNGHUDQKHNFL-UHFFFAOYSA-N 1 0 342.827 3.490 10 5 EGBERO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631908 459678549 /nfs/dbraw/zinc/67/85/49/459678549.db2.gz OQUYZTOHXRLNHG-DOTOQJQBSA-N 1 0 347.459 3.420 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000563039590 459702794 /nfs/dbraw/zinc/70/27/94/459702794.db2.gz YKYCZIDTCTZDLM-INIZCTEOSA-N 1 0 344.459 3.323 10 5 EGBERO CCN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596899681 459790147 /nfs/dbraw/zinc/79/01/47/459790147.db2.gz QIFALECZKQHWQQ-CQSZACIVSA-N 1 0 348.447 3.450 10 5 EGBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476725 459900437 /nfs/dbraw/zinc/90/04/37/459900437.db2.gz YBBSZOKFKQFGGU-HIFRSBDPSA-N 1 0 326.400 3.206 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597857592 460082354 /nfs/dbraw/zinc/08/23/54/460082354.db2.gz GHZKWXQEWMJCSX-DOTOQJQBSA-N 1 0 347.459 3.153 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000589511195 460096893 /nfs/dbraw/zinc/09/68/93/460096893.db2.gz AKRSXUUKEBZWDB-NSHDSACASA-N 1 0 349.412 3.073 10 5 EGBERO C[C@@H]1C[NH+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000599023036 460130044 /nfs/dbraw/zinc/13/00/44/460130044.db2.gz QHLHPPJYJMSBMS-ZIAGYGMSSA-N 1 0 344.415 3.054 10 5 EGBERO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599056078 460144502 /nfs/dbraw/zinc/14/45/02/460144502.db2.gz JELMEOMCMHZNMP-GWCFXTLKSA-N 1 0 328.294 3.246 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000599073435 460152218 /nfs/dbraw/zinc/15/22/18/460152218.db2.gz CYHJJPHTXOXFKL-SCLBCKFNSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075073 460153409 /nfs/dbraw/zinc/15/34/09/460153409.db2.gz SDSPXOZAEAGZHI-SJKOYZFVSA-N 1 0 325.368 3.072 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529763 460177688 /nfs/dbraw/zinc/17/76/88/460177688.db2.gz OGEKMNYHMRQVMX-WMLDXEAASA-N 1 0 348.447 3.075 10 5 EGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000599693471 460313759 /nfs/dbraw/zinc/31/37/59/460313759.db2.gz ATVZQBYCBMTLQS-MRXNPFEDSA-N 1 0 332.404 3.123 10 5 EGBERO NC(=O)c1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611395797 460354886 /nfs/dbraw/zinc/35/48/86/460354886.db2.gz UMGISAKIFUTBFY-QGZVFWFLSA-N 1 0 339.395 3.325 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600214454 460445175 /nfs/dbraw/zinc/44/51/75/460445175.db2.gz QKIGKYQLXRGBOR-HNNXBMFYSA-N 1 0 328.368 3.299 10 5 EGBERO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600227398 460449844 /nfs/dbraw/zinc/44/98/44/460449844.db2.gz BDIZQUHCJJRYDF-MRXNPFEDSA-N 1 0 331.416 3.040 10 5 EGBERO CCC1([NH+](C)C)CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601228968 460757562 /nfs/dbraw/zinc/75/75/62/460757562.db2.gz ARYFJUNBHJPVEA-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H](O)C(F)F)c2ccccc2)c1 ZINC000601299566 460779653 /nfs/dbraw/zinc/77/96/53/460779653.db2.gz RMSVSCRGXACAJZ-JKSUJKDBSA-N 1 0 336.338 3.290 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601791950 460900175 /nfs/dbraw/zinc/90/01/75/460900175.db2.gz RURJLRBWIOWASC-CQSZACIVSA-N 1 0 333.432 3.031 10 5 EGBERO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187770033 528058969 /nfs/dbraw/zinc/05/89/69/528058969.db2.gz CYSRXJVFCKSRTI-DZGCQCFKSA-N 1 0 333.432 3.273 10 5 EGBERO CC[N@H+](CCc1nccs1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184270398 535759396 /nfs/dbraw/zinc/75/93/96/535759396.db2.gz RWWXNWUHLBCFRS-UHFFFAOYSA-N 1 0 339.392 3.264 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1c(C)nn(C)c1C ZINC000347934426 535917684 /nfs/dbraw/zinc/91/76/84/535917684.db2.gz YIGQVLGHUPYEBJ-AWEZNQCLSA-N 1 0 332.404 3.195 10 5 EGBERO Cc1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000123783357 1293455239 /nfs/dbraw/zinc/45/52/39/1293455239.db2.gz QOPZKPKTYDZJAW-UHFFFAOYSA-N 1 0 332.429 3.118 10 5 EGBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000870553161 1295938472 /nfs/dbraw/zinc/93/84/72/1295938472.db2.gz HVRVVQWCLVFELK-AWEZNQCLSA-N 1 0 338.407 3.178 10 5 EGBERO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000872020702 1296663019 /nfs/dbraw/zinc/66/30/19/1296663019.db2.gz JJORWMZHYABKDK-MFKMUULPSA-N 1 0 330.363 3.040 10 5 EGBERO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000872084166 1296723557 /nfs/dbraw/zinc/72/35/57/1296723557.db2.gz PVVPSTKRNQWRNG-MNOVXSKESA-N 1 0 326.368 3.362 10 5 EGBERO CC(C)(C)OC1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872219667 1296821603 /nfs/dbraw/zinc/82/16/03/1296821603.db2.gz UWLCDQQXPLCJBB-BDVYOWHSSA-N 1 0 336.432 3.344 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872279980 1296886957 /nfs/dbraw/zinc/88/69/57/1296886957.db2.gz IFPCEOXRJUMTHW-QZTJIDSGSA-N 1 0 334.416 3.052 10 5 EGBERO O=[N+]([O-])c1c(F)cc(F)cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC000716223813 1298294029 /nfs/dbraw/zinc/29/40/29/1298294029.db2.gz UINASBANGUMJAN-UHFFFAOYSA-N 1 0 333.338 3.417 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000878660384 1300132500 /nfs/dbraw/zinc/13/25/00/1300132500.db2.gz TXCPIBIDACICSQ-YOEHRIQHSA-N 1 0 334.416 3.221 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 ZINC000886764223 1303589283 /nfs/dbraw/zinc/58/92/83/1303589283.db2.gz NVJSVEVQISHMKM-IIHSZXCVSA-N 1 0 348.443 3.232 10 5 EGBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000893028248 1305668328 /nfs/dbraw/zinc/66/83/28/1305668328.db2.gz ZQSCBFNBTQUXBH-OCCSQVGLSA-N 1 0 337.395 3.069 10 5 EGBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898606213 1310802794 /nfs/dbraw/zinc/80/27/94/1310802794.db2.gz RILNLAZVHCFXBC-UHFFFAOYSA-N 1 0 349.456 3.016 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000858128374 1328689182 /nfs/dbraw/zinc/68/91/82/1328689182.db2.gz LJIURUBJULDBTH-LBPRGKRZSA-N 1 0 346.330 3.498 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000858506595 1328783455 /nfs/dbraw/zinc/78/34/55/1328783455.db2.gz VCHBBBQCYMUMHZ-BBRMVZONSA-N 1 0 332.400 3.157 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000915212137 1319444774 /nfs/dbraw/zinc/44/47/74/1319444774.db2.gz ZMONKMDURZFOOK-KGXGESDWSA-N 1 0 347.415 3.067 10 5 EGBERO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000917069165 1319747029 /nfs/dbraw/zinc/74/70/29/1319747029.db2.gz OHMUJZBOMAPQDB-LEJCZOIISA-N 1 0 347.415 3.067 10 5 EGBERO Cc1c(CN[C@@H](CC[NH+](C)C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000922630193 1322575494 /nfs/dbraw/zinc/57/54/94/1322575494.db2.gz OMYSHCXQSTVWDS-KRWDZBQOSA-N 1 0 328.416 3.081 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000922873757 1322637697 /nfs/dbraw/zinc/63/76/97/1322637697.db2.gz CKVOURXYNVIYRC-ICRXBYKOSA-N 1 0 332.400 3.270 10 5 EGBERO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C[C@@H]2O1 ZINC000927056545 1327832787 /nfs/dbraw/zinc/83/27/87/1327832787.db2.gz KJSLDDFMGXIGPI-OSMBCOQSSA-N 1 0 332.400 3.244 10 5 EGBERO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861937374 1329451929 /nfs/dbraw/zinc/45/19/29/1329451929.db2.gz BZKDTHWEAWMFCQ-UHFFFAOYSA-N 1 0 341.411 3.352 10 5 EGBERO CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CC[N@H+](CC)C1 ZINC000862179752 1329464275 /nfs/dbraw/zinc/46/42/75/1329464275.db2.gz VCBJUCWSYHHTMI-HNNXBMFYSA-N 1 0 341.411 3.304 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC000866206426 1330078508 /nfs/dbraw/zinc/07/85/08/1330078508.db2.gz LAUCVFNHPAQHDI-GXFFZTMASA-N 1 0 329.322 3.144 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000866382369 1330104462 /nfs/dbraw/zinc/10/44/62/1330104462.db2.gz WVARFKJBLINOFB-NMFKLSHFSA-N 1 0 342.436 3.164 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000866563723 1330127276 /nfs/dbraw/zinc/12/72/76/1330127276.db2.gz OIWSQBKKFFZUQB-ORAYPTAESA-N 1 0 343.402 3.441 10 5 EGBERO Cc1cc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc([N+](=O)[O-])c1 ZINC000867990747 1330237695 /nfs/dbraw/zinc/23/76/95/1330237695.db2.gz ZLAGKWXZEYIRQY-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO CC1(C)C(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)C1(C)C ZINC001323412442 1387366355 /nfs/dbraw/zinc/36/63/55/1387366355.db2.gz XQFPHYZMWWLNSG-UHFFFAOYSA-N 1 0 345.443 3.015 10 5 EGBERO CCOc1cc(N2CC[N@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001186500348 1387955986 /nfs/dbraw/zinc/95/59/86/1387955986.db2.gz UKFCRWWVQNWVSD-UHFFFAOYSA-N 1 0 333.432 3.448 10 5 EGBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130585686 1373566039 /nfs/dbraw/zinc/56/60/39/1373566039.db2.gz LDTPWGQYUIEQDH-MCIONIFRSA-N 1 0 347.459 3.445 10 5 EGBERO CC/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266178140 1377218232 /nfs/dbraw/zinc/21/82/32/1377218232.db2.gz YDXCLJYAMOQEAK-VIZOYTHASA-N 1 0 345.443 3.374 10 5 EGBERO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136812196 1377425503 /nfs/dbraw/zinc/42/55/03/1377425503.db2.gz YVINXUFDJDDXBT-UHFFFAOYSA-N 1 0 338.367 3.129 10 5 EGBERO C/C=C(/C)C(=O)N1CCC(CC)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001327443289 1388520960 /nfs/dbraw/zinc/52/09/60/1388520960.db2.gz XVZPLVPPEVYEMK-TVPGTPATSA-N 1 0 345.443 3.422 10 5 EGBERO CCc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001142240150 1378424641 /nfs/dbraw/zinc/42/46/41/1378424641.db2.gz PSAZVVVEYOEOMJ-CQSZACIVSA-N 1 0 347.459 3.398 10 5 EGBERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001142560172 1378459695 /nfs/dbraw/zinc/45/96/95/1378459695.db2.gz YFEJFRMTJWAJQP-LBPRGKRZSA-N 1 0 339.823 3.098 10 5 EGBERO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC001161392759 1382397028 /nfs/dbraw/zinc/39/70/28/1382397028.db2.gz FHVOYOQRHPQQHY-UHFFFAOYSA-N 1 0 331.347 3.356 10 5 EGBERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001295136794 1382552301 /nfs/dbraw/zinc/55/23/01/1382552301.db2.gz QNEIZWRXGQYCLJ-DOTOQJQBSA-N 1 0 333.432 3.284 10 5 EGBERO COc1ccc2ncc([N+](=O)[O-])c(N3CC[NH+](C(C)(C)C)CC3)c2c1 ZINC001162226648 1382661424 /nfs/dbraw/zinc/66/14/24/1382661424.db2.gz OIILLHPQPFHWDS-UHFFFAOYSA-N 1 0 344.415 3.072 10 5 EGBERO C[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167544892 1383663357 /nfs/dbraw/zinc/66/33/57/1383663357.db2.gz XXWULIMTDIQZFV-CQSZACIVSA-N 1 0 339.395 3.370 10 5 EGBERO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001307545784 1383999704 /nfs/dbraw/zinc/99/97/04/1383999704.db2.gz YJEASHMRIAMPKZ-DLBZAZTESA-N 1 0 336.432 3.499 10 5 EGBERO Cc1cc([C@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001308110397 1384094715 /nfs/dbraw/zinc/09/47/15/1384094715.db2.gz YJIIAEXWRUPOMZ-OAHLLOKOSA-N 1 0 330.388 3.232 10 5 EGBERO Cc1ccccc1CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001170594989 1384347179 /nfs/dbraw/zinc/34/71/79/1384347179.db2.gz ZTTLUNJTTJDMDZ-UHFFFAOYSA-N 1 0 341.411 3.406 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001171811164 1384645690 /nfs/dbraw/zinc/64/56/90/1384645690.db2.gz VRTCHBMUYBOLQW-BBWFWOEESA-N 1 0 346.427 3.457 10 5 EGBERO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001176029261 1385464987 /nfs/dbraw/zinc/46/49/87/1385464987.db2.gz SISLUNRJZFCIFZ-OAHLLOKOSA-N 1 0 330.384 3.341 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001176941157 1385749663 /nfs/dbraw/zinc/74/96/63/1385749663.db2.gz ZAFZCYQTXQKFJH-MOPGFXCFSA-N 1 0 342.395 3.092 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C1=CCCC1 ZINC001698626565 1406268205 /nfs/dbraw/zinc/26/82/05/1406268205.db2.gz GJBJDOHYZLZBJH-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001180535061 1386828905 /nfs/dbraw/zinc/82/89/05/1386828905.db2.gz VXXRUIFZVZRBQQ-FUHWJXTLSA-N 1 0 345.443 3.238 10 5 EGBERO C/C=C(\C)C(=O)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001698690169 1406335679 /nfs/dbraw/zinc/33/56/79/1406335679.db2.gz HOYSYFQQPGQHBD-CRKCGEKBSA-N 1 0 345.443 3.279 10 5 EGBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCC1 ZINC001479311070 1392210716 /nfs/dbraw/zinc/21/07/16/1392210716.db2.gz ISPHOXPIPZOLSO-FZNQNYSPSA-N 1 0 345.443 3.160 10 5 EGBERO CC[N@H+](CCCNC(=O)c1cc(C)co1)Cc1cccc([N+](=O)[O-])c1 ZINC001479851679 1392432079 /nfs/dbraw/zinc/43/20/79/1392432079.db2.gz JIWRAGXBMQOPOG-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CC1(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001491011577 1394397781 /nfs/dbraw/zinc/39/77/81/1394397781.db2.gz GJSPOSSSGFTNML-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO CC(C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691081601 1405016103 /nfs/dbraw/zinc/01/61/03/1405016103.db2.gz ZPBXMWNJDLTSEM-IYBDPMFKSA-N 1 0 333.432 3.015 10 5 EGBERO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001691517096 1405315163 /nfs/dbraw/zinc/31/51/63/1405315163.db2.gz CGPHCIIKWOLIJH-KOMQPUFPSA-N 1 0 345.443 3.015 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC(CC1)CC2 ZINC001691614722 1405358129 /nfs/dbraw/zinc/35/81/29/1405358129.db2.gz CATHQIIDKFPVRZ-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691710897 1405438212 /nfs/dbraw/zinc/43/82/12/1405438212.db2.gz ZYQFIHSYJKFOBJ-UHFFFAOYSA-N 1 0 345.443 3.422 10 5 EGBERO CC[N@H+](CCCNC(=O)CC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001713006350 1417559906 /nfs/dbraw/zinc/55/99/06/1417559906.db2.gz DNCSZOIHAYBUJS-UHFFFAOYSA-N 1 0 335.448 3.359 10 5 EGBERO CCCCC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001713050555 1417601928 /nfs/dbraw/zinc/60/19/28/1417601928.db2.gz WMZHJENPFMQIIY-UHFFFAOYSA-N 1 0 333.432 3.208 10 5 EGBERO CC(C)C(C)(C)C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001715821809 1420357143 /nfs/dbraw/zinc/35/71/43/1420357143.db2.gz PLIORHCBCDSBTI-WAYWQWQTSA-N 1 0 333.432 3.039 10 5 EGBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001716327250 1420605747 /nfs/dbraw/zinc/60/57/47/1420605747.db2.gz WIOQAJUGBWPXIV-ONEGZZNKSA-N 1 0 345.443 3.183 10 5 EGBERO CC(C)=CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001717119527 1421123909 /nfs/dbraw/zinc/12/39/09/1421123909.db2.gz HRECQMHTTGJZQZ-JCNLHEQBSA-N 1 0 345.443 3.326 10 5 EGBERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001654940462 1126254884 /nfs/dbraw/zinc/25/48/84/1126254884.db2.gz NPCYRYFKHNVVLV-QGZVFWFLSA-N 1 0 334.803 3.332 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)o1 ZINC000368091817 168309631 /nfs/dbraw/zinc/30/96/31/168309631.db2.gz XXUZDZWKZXCAIF-GFCCVEGCSA-N 1 0 338.367 3.225 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)o1 ZINC000368091818 168310007 /nfs/dbraw/zinc/31/00/07/168310007.db2.gz XXUZDZWKZXCAIF-LBPRGKRZSA-N 1 0 338.367 3.225 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000371546178 168623394 /nfs/dbraw/zinc/62/33/94/168623394.db2.gz LAGCXKUZFKEWMW-VQIMIIECSA-N 1 0 342.395 3.341 10 5 EGBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183333495 235013199 /nfs/dbraw/zinc/01/31/99/235013199.db2.gz ZBTLAVZVVNPTQT-MRXNPFEDSA-N 1 0 343.431 3.024 10 5 EGBERO CCCN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349132670 283231274 /nfs/dbraw/zinc/23/12/74/283231274.db2.gz SMCJUHGNOFMYEG-UHFFFAOYSA-N 1 0 347.337 3.027 10 5 EGBERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032793592 202234483 /nfs/dbraw/zinc/23/44/83/202234483.db2.gz CRUVNULQEJXSEV-OLZOCXBDSA-N 1 0 343.383 3.281 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191344728 239056044 /nfs/dbraw/zinc/05/60/44/239056044.db2.gz VWKSDIVSLWUPLV-KGLIPLIRSA-N 1 0 334.420 3.158 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191680263 239246981 /nfs/dbraw/zinc/24/69/81/239246981.db2.gz CBBDPJQRXPUHLQ-UHFFFAOYSA-N 1 0 345.374 3.481 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805071 204162638 /nfs/dbraw/zinc/16/26/38/204162638.db2.gz ITQWWVOGLCLMNU-ZDUSSCGKSA-N 1 0 327.388 3.022 10 5 EGBERO CSc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000266383371 248274749 /nfs/dbraw/zinc/27/47/49/248274749.db2.gz UNNDSPGMGYYXHZ-AGUYFDCRSA-N 1 0 349.456 3.062 10 5 EGBERO Cc1sc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000177441851 207338118 /nfs/dbraw/zinc/33/81/18/207338118.db2.gz GICJKZQSNSTFMX-UHFFFAOYSA-N 1 0 337.445 3.102 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000172603426 144023692 /nfs/dbraw/zinc/02/36/92/144023692.db2.gz INLQPMSPOOGADF-MNOVXSKESA-N 1 0 349.412 3.343 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000191333778 153189413 /nfs/dbraw/zinc/18/94/13/153189413.db2.gz ZHUYODJNWHLABM-DZGCQCFKSA-N 1 0 334.420 3.062 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000113196659 162203510 /nfs/dbraw/zinc/20/35/10/162203510.db2.gz AOLIVSBCWMGPJT-CYBMUJFWSA-N 1 0 344.415 3.070 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128895058 162338412 /nfs/dbraw/zinc/33/84/12/162338412.db2.gz PMRGVPVKJNRZOB-JKSUJKDBSA-N 1 0 330.388 3.073 10 5 EGBERO CC[C@H](NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247008371 162922713 /nfs/dbraw/zinc/92/27/13/162922713.db2.gz HBRVAAFJFMIBPZ-COXVUDFISA-N 1 0 348.447 3.074 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000350099248 165004037 /nfs/dbraw/zinc/00/40/37/165004037.db2.gz MUXRLZJQEYMUTR-UHFFFAOYSA-N 1 0 345.443 3.174 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355155179 166119445 /nfs/dbraw/zinc/11/94/45/166119445.db2.gz WKMSOQXWEOOZSW-INIZCTEOSA-N 1 0 345.443 3.350 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000366843193 168147386 /nfs/dbraw/zinc/14/73/86/168147386.db2.gz BLBYWVNDYVVDBG-SJLPKXTDSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367572374 168243820 /nfs/dbraw/zinc/24/38/20/168243820.db2.gz DPIYWFKHDPQRKJ-CRAIPNDOSA-N 1 0 341.411 3.230 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000185691663 275399974 /nfs/dbraw/zinc/39/99/74/275399974.db2.gz UFLRWLOPRPLUAW-DUVHGLKDSA-N 1 0 343.427 3.085 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341231265 276376976 /nfs/dbraw/zinc/37/69/76/276376976.db2.gz UZPVGCAHUNMTTG-HUUCEWRRSA-N 1 0 335.448 3.346 10 5 EGBERO COCCC[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291818306 276695262 /nfs/dbraw/zinc/69/52/62/276695262.db2.gz FTCPETCUEIGFCL-UHFFFAOYSA-N 1 0 344.415 3.056 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000362759854 277172328 /nfs/dbraw/zinc/17/23/28/277172328.db2.gz RGQAJKWOVTVZPX-ZWKOTPCHSA-N 1 0 329.375 3.269 10 5 EGBERO CC[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358169204 288042620 /nfs/dbraw/zinc/04/26/20/288042620.db2.gz CUMTZVFYWRAOBF-SBUREZEXSA-N 1 0 332.425 3.443 10 5 EGBERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000060333646 307350904 /nfs/dbraw/zinc/35/09/04/307350904.db2.gz BNCAEOIBPBOWJX-OAHLLOKOSA-N 1 0 342.395 3.406 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415691110 309141187 /nfs/dbraw/zinc/14/11/87/309141187.db2.gz FNTACMBFTXTACN-RYUDHWBXSA-N 1 0 334.420 3.284 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)CCCC2 ZINC000417350341 309202578 /nfs/dbraw/zinc/20/25/78/309202578.db2.gz PKNNMMVQWDGKAC-LPHOPBHVSA-N 1 0 341.411 3.123 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000421766882 309339147 /nfs/dbraw/zinc/33/91/47/309339147.db2.gz IGFQPMGRKHJABL-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449415773 310060161 /nfs/dbraw/zinc/06/01/61/310060161.db2.gz PRCFTCHRSISEKE-VTBIRBAPSA-N 1 0 332.400 3.320 10 5 EGBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449421996 310060620 /nfs/dbraw/zinc/06/06/20/310060620.db2.gz MHSGEYAKJBEUSZ-PBHICJAKSA-N 1 0 330.384 3.448 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C(F)F)C3)o2)cc1 ZINC000449466993 310064388 /nfs/dbraw/zinc/06/43/88/310064388.db2.gz IFOCUIQHCAEISD-INIZCTEOSA-N 1 0 338.310 3.057 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(CF)CCOCC2)c1 ZINC000449484184 310065935 /nfs/dbraw/zinc/06/59/35/310065935.db2.gz FUENAEYKBJUXIL-UHFFFAOYSA-N 1 0 348.321 3.052 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000451007284 310155176 /nfs/dbraw/zinc/15/51/76/310155176.db2.gz UHIHHLFYJOGLBF-INIZCTEOSA-N 1 0 327.384 3.378 10 5 EGBERO COc1cccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000484307475 310964184 /nfs/dbraw/zinc/96/41/84/310964184.db2.gz ZBPLSPURVACZNF-KRWDZBQOSA-N 1 0 341.411 3.152 10 5 EGBERO COc1cc(CN2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000485817906 310982626 /nfs/dbraw/zinc/98/26/26/310982626.db2.gz QRBCTIDMKTZSPP-UHFFFAOYSA-N 1 0 335.448 3.157 10 5 EGBERO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1(C)CCCC1 ZINC000490177285 311134999 /nfs/dbraw/zinc/13/49/99/311134999.db2.gz XNACZKSYZKEYDF-UHFFFAOYSA-N 1 0 333.388 3.157 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000540706745 314397924 /nfs/dbraw/zinc/39/79/24/314397924.db2.gz GYDURWPDDIUGNQ-HIFRSBDPSA-N 1 0 328.368 3.394 10 5 EGBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000570561511 317073495 /nfs/dbraw/zinc/07/34/95/317073495.db2.gz GDUXJEVQLMYSNU-OAHLLOKOSA-N 1 0 333.432 3.158 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CCC([NH+]3CCCCC3)CC1)CCCC2 ZINC000571913792 317265300 /nfs/dbraw/zinc/26/53/00/317265300.db2.gz WLMQTULXFAFNDW-UHFFFAOYSA-N 1 0 344.459 3.323 10 5 EGBERO Cc1ncncc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573814247 317531914 /nfs/dbraw/zinc/53/19/14/317531914.db2.gz CJJPVCCOTSHVKQ-LLVKDONJSA-N 1 0 325.372 3.068 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]CC3(CCO)CC3)o2)c([N+](=O)[O-])c1 ZINC000495148779 324381061 /nfs/dbraw/zinc/38/10/61/324381061.db2.gz DXATYJMXYFZIOY-UHFFFAOYSA-N 1 0 346.383 3.116 10 5 EGBERO CC(C)[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000578360989 324958487 /nfs/dbraw/zinc/95/84/87/324958487.db2.gz OMTDPEPDBKACAS-KBXCAEBGSA-N 1 0 331.416 3.412 10 5 EGBERO CCn1nc(C)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000581935998 325399990 /nfs/dbraw/zinc/39/99/90/325399990.db2.gz SGGPZUVPOWGCCX-UHFFFAOYSA-N 1 0 341.415 3.242 10 5 EGBERO COc1cc(C[NH2+]CC[C@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000594976976 459202847 /nfs/dbraw/zinc/20/28/47/459202847.db2.gz IINTZIFUEVWITF-CQSZACIVSA-N 1 0 330.331 3.137 10 5 EGBERO COc1ccc(CN(CCC[NH3+])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000183218252 455253217 /nfs/dbraw/zinc/25/32/17/455253217.db2.gz FRSLAAUTRVAPCB-UHFFFAOYSA-N 1 0 333.363 3.098 10 5 EGBERO Cc1ccc(NC(=O)CN(C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183228327 455254902 /nfs/dbraw/zinc/25/49/02/455254902.db2.gz OEAZHSXYXYWGHX-UHFFFAOYSA-N 1 0 327.384 3.282 10 5 EGBERO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311080 455276747 /nfs/dbraw/zinc/27/67/47/455276747.db2.gz BLGCCFAEFUJXME-WBVHZDCISA-N 1 0 347.459 3.420 10 5 EGBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003244359 452752826 /nfs/dbraw/zinc/75/28/26/452752826.db2.gz OUTAAJRTTHDXBU-ABAIWWIYSA-N 1 0 349.412 3.205 10 5 EGBERO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000008248260 453182412 /nfs/dbraw/zinc/18/24/12/453182412.db2.gz XSOSPJNOPVUYPG-JTQLQIEISA-N 1 0 335.310 3.162 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000600794318 460608845 /nfs/dbraw/zinc/60/88/45/460608845.db2.gz SKVIGXWZMSTJTN-UHFFFAOYSA-N 1 0 326.396 3.264 10 5 EGBERO COC(=O)c1ccc(-c2cc(C)cc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000600845210 460619642 /nfs/dbraw/zinc/61/96/42/460619642.db2.gz KGEGRLKKMMRPHF-UHFFFAOYSA-N 1 0 326.352 3.003 10 5 EGBERO Cc1sc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067205424 453911217 /nfs/dbraw/zinc/91/12/17/453911217.db2.gz MPCIUDLXLCLRKD-CYBMUJFWSA-N 1 0 345.424 3.098 10 5 EGBERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181814891 455385264 /nfs/dbraw/zinc/38/52/64/455385264.db2.gz JZNQTGQZLBCUDK-CYBMUJFWSA-N 1 0 343.383 3.201 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342164 454057508 /nfs/dbraw/zinc/05/75/08/454057508.db2.gz NKQVFGCGSYHWHB-SNVBAGLBSA-N 1 0 328.800 3.100 10 5 EGBERO CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095457022 454215034 /nfs/dbraw/zinc/21/50/34/454215034.db2.gz QFRVEVKHKCAMSG-DLBZAZTESA-N 1 0 332.400 3.291 10 5 EGBERO O=[N+]([O-])c1cccnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065201831 454538162 /nfs/dbraw/zinc/53/81/62/454538162.db2.gz CJIJMZAPZIWNSA-INIZCTEOSA-N 1 0 326.400 3.456 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080248027 454555756 /nfs/dbraw/zinc/55/57/56/454555756.db2.gz KPIZMYOPLBSPOD-SNVBAGLBSA-N 1 0 347.337 3.074 10 5 EGBERO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000092656961 454602697 /nfs/dbraw/zinc/60/26/97/454602697.db2.gz XYJKUXVTPXBHHE-JQWIXIFHSA-N 1 0 329.347 3.115 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C[C@@H](C)O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000093144611 454688052 /nfs/dbraw/zinc/68/80/52/454688052.db2.gz PDNBICAKGBUAOQ-CYBMUJFWSA-N 1 0 348.399 3.455 10 5 EGBERO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000176201409 454711849 /nfs/dbraw/zinc/71/18/49/454711849.db2.gz MAJPDMGYXJGCAU-UHFFFAOYSA-N 1 0 339.399 3.152 10 5 EGBERO COC(=O)c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000153123323 454763046 /nfs/dbraw/zinc/76/30/46/454763046.db2.gz LUWVLOAHDZGKKT-UHFFFAOYSA-N 1 0 344.342 3.079 10 5 EGBERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000150736727 454884737 /nfs/dbraw/zinc/88/47/37/454884737.db2.gz FXVKZOPHABNOMY-CYBMUJFWSA-N 1 0 335.404 3.197 10 5 EGBERO Cc1cccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000115416795 455014918 /nfs/dbraw/zinc/01/49/18/455014918.db2.gz VHLAXZBZKGBWGK-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO C[NH+](C)CC1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000128139972 455028442 /nfs/dbraw/zinc/02/84/42/455028442.db2.gz FNVFROAMPJLTSX-UHFFFAOYSA-N 1 0 346.431 3.012 10 5 EGBERO CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000266661773 455432853 /nfs/dbraw/zinc/43/28/53/455432853.db2.gz LYSXGSAMVNCDIJ-UHFFFAOYSA-N 1 0 346.412 3.141 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192675474 455667576 /nfs/dbraw/zinc/66/75/76/455667576.db2.gz UYSPMLYQEBVRCM-WDEREUQCSA-N 1 0 349.412 3.343 10 5 EGBERO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000271817554 455771979 /nfs/dbraw/zinc/77/19/79/455771979.db2.gz ZKBNFEDZONPOPH-LBPRGKRZSA-N 1 0 331.328 3.233 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187268829 455889462 /nfs/dbraw/zinc/88/94/62/455889462.db2.gz OFKGBYQBBLMFCW-KDOFPFPSSA-N 1 0 341.411 3.324 10 5 EGBERO CCn1cc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000195501305 455970614 /nfs/dbraw/zinc/97/06/14/455970614.db2.gz KGQXHYLRDMQICL-UHFFFAOYSA-N 1 0 328.416 3.233 10 5 EGBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000262200155 456011566 /nfs/dbraw/zinc/01/15/66/456011566.db2.gz KJCZDBUAXSPATO-GOSISDBHSA-N 1 0 341.411 3.058 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@]12CCCO2 ZINC000272670599 456033682 /nfs/dbraw/zinc/03/36/82/456033682.db2.gz KJGJMORDVBPIAA-OAGGEKHMSA-N 1 0 340.807 3.064 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301457407 456120944 /nfs/dbraw/zinc/12/09/44/456120944.db2.gz XIWAYRWGVNDNLI-NEPJUHHUSA-N 1 0 325.384 3.275 10 5 EGBERO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352784080 456303364 /nfs/dbraw/zinc/30/33/64/456303364.db2.gz MTEFVINWSNPJAI-INIZCTEOSA-N 1 0 332.404 3.214 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000343087119 456397665 /nfs/dbraw/zinc/39/76/65/456397665.db2.gz VFBXKZJJMAZQLQ-UHFFFAOYSA-N 1 0 341.415 3.078 10 5 EGBERO C[C@](CO)([NH2+]Cc1ccccc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601149191 460732779 /nfs/dbraw/zinc/73/27/79/460732779.db2.gz KOMZAFQOBMICID-LJQANCHMSA-N 1 0 326.396 3.470 10 5 EGBERO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282430622 456511464 /nfs/dbraw/zinc/51/14/64/456511464.db2.gz MJKGWEJKMCHPED-IAGOWNOFSA-N 1 0 326.400 3.373 10 5 EGBERO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301127421 456803664 /nfs/dbraw/zinc/80/36/64/456803664.db2.gz VHBQSGVUHSAGCM-OAHLLOKOSA-N 1 0 341.415 3.255 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291957735 456811044 /nfs/dbraw/zinc/81/10/44/456811044.db2.gz UXCMWLGMPAOXJO-BEFAXECRSA-N 1 0 326.396 3.292 10 5 EGBERO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301226211 456826355 /nfs/dbraw/zinc/82/63/55/456826355.db2.gz GPONNADGCAUPLB-ZDUSSCGKSA-N 1 0 341.415 3.255 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(C(F)(F)F)CC2)n1 ZINC000353947796 456976260 /nfs/dbraw/zinc/97/62/60/456976260.db2.gz PFSWCBPGWIMORR-QWRGUYRKSA-N 1 0 332.326 3.207 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000330408443 457040550 /nfs/dbraw/zinc/04/05/50/457040550.db2.gz HPYPEIXJDOLRIH-ZIAGYGMSSA-N 1 0 333.432 3.001 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186432 457143760 /nfs/dbraw/zinc/14/37/60/457143760.db2.gz TWTLOKDBJWBCJY-GOEBONIOSA-N 1 0 336.432 3.222 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000354393605 457195759 /nfs/dbraw/zinc/19/57/59/457195759.db2.gz LEGUBXBCVWXSEE-QWHCGFSZSA-N 1 0 344.415 3.021 10 5 EGBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000357001387 457268193 /nfs/dbraw/zinc/26/81/93/457268193.db2.gz SKRBIZVBRGHVRZ-UHFFFAOYSA-N 1 0 349.456 3.017 10 5 EGBERO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347332500 457357525 /nfs/dbraw/zinc/35/75/25/457357525.db2.gz BYTVITYVEPENFS-SJCJKPOMSA-N 1 0 340.383 3.058 10 5 EGBERO CC(C)(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OCCO ZINC000352477407 457398456 /nfs/dbraw/zinc/39/84/56/457398456.db2.gz LDCAMRADOUWSQR-SFHVURJKSA-N 1 0 344.411 3.061 10 5 EGBERO COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000425370597 457525084 /nfs/dbraw/zinc/52/50/84/457525084.db2.gz DFTYGYOIVHECAF-PEGIJTEDSA-N 1 0 342.342 3.135 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361995388 457996189 /nfs/dbraw/zinc/99/61/89/457996189.db2.gz HGRQYIHDINCITR-VQIMIIECSA-N 1 0 342.395 3.341 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000411983674 458033122 /nfs/dbraw/zinc/03/31/22/458033122.db2.gz MCBCABKONQMQOV-MRXNPFEDSA-N 1 0 326.400 3.061 10 5 EGBERO CCCn1ccnc1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429257838 458300334 /nfs/dbraw/zinc/30/03/34/458300334.db2.gz FWEQRCYVFUHKAX-UHFFFAOYSA-N 1 0 346.431 3.275 10 5 EGBERO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCCC[C@H]21 ZINC000377761408 458514649 /nfs/dbraw/zinc/51/46/49/458514649.db2.gz LLBUEJBAMSNBQR-FIXISWKDSA-N 1 0 337.807 3.450 10 5 EGBERO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464579913 458760022 /nfs/dbraw/zinc/76/00/22/458760022.db2.gz DKJRJKXUWPLONI-OAHLLOKOSA-N 1 0 334.416 3.191 10 5 EGBERO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006512 458876076 /nfs/dbraw/zinc/87/60/76/458876076.db2.gz CAGDEOZQSZQISG-LIRRHRJNSA-N 1 0 342.395 3.298 10 5 EGBERO CCOc1cc(N2CC[NH+](CC3(C)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000475484341 458946195 /nfs/dbraw/zinc/94/61/95/458946195.db2.gz CKIWYFGZJGGWPV-UHFFFAOYSA-N 1 0 333.432 3.306 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509514 459068369 /nfs/dbraw/zinc/06/83/69/459068369.db2.gz JETAPMAIRMJMBD-ZXFNITATSA-N 1 0 335.448 3.133 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508142 459068599 /nfs/dbraw/zinc/06/85/99/459068599.db2.gz BEBGGYJHGCCEIB-JONQDZQNSA-N 1 0 335.448 3.052 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511155 459069116 /nfs/dbraw/zinc/06/91/16/459069116.db2.gz PPCQXVSNLBGXPA-JXOWHGLYSA-N 1 0 347.459 3.085 10 5 EGBERO CC1(C)C[N@@H+](C2(CNc3ccc([N+](=O)[O-])nc3)CCCCC2)CCO1 ZINC000558191584 459138700 /nfs/dbraw/zinc/13/87/00/459138700.db2.gz AABSNFWBBOCTDV-UHFFFAOYSA-N 1 0 348.447 3.215 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000590658893 459174436 /nfs/dbraw/zinc/17/44/36/459174436.db2.gz MDFDZTVFQFRLHG-OYWVLEMYSA-N 1 0 342.395 3.025 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c(F)c1 ZINC000594975128 459202267 /nfs/dbraw/zinc/20/22/67/459202267.db2.gz QTHSADCIMULJFI-RDJZCZTQSA-N 1 0 330.359 3.396 10 5 EGBERO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594993497 459208824 /nfs/dbraw/zinc/20/88/24/459208824.db2.gz AQCXOJSNHKGIHC-LLVKDONJSA-N 1 0 330.331 3.101 10 5 EGBERO CC[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595062922 459233084 /nfs/dbraw/zinc/23/30/84/459233084.db2.gz BDJRLURWQYHSBD-SJORKVTESA-N 1 0 339.395 3.223 10 5 EGBERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533425209 459233713 /nfs/dbraw/zinc/23/37/13/459233713.db2.gz BGZODQUZHCVPPY-HNNXBMFYSA-N 1 0 331.416 3.139 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595068376 459234390 /nfs/dbraw/zinc/23/43/90/459234390.db2.gz LNRMVWRNVKKEJF-IINYFYTJSA-N 1 0 330.331 3.068 10 5 EGBERO COc1ccnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1F ZINC000595082389 459239242 /nfs/dbraw/zinc/23/92/42/459239242.db2.gz ZKKKEOPIZIYNCD-AWEZNQCLSA-N 1 0 345.374 3.248 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000595087305 459240926 /nfs/dbraw/zinc/24/09/26/459240926.db2.gz RAXQZRKOXZUUTA-JLJPHGGASA-N 1 0 328.416 3.390 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000595501365 459326194 /nfs/dbraw/zinc/32/61/94/459326194.db2.gz OMQBRERMJRSXDG-OAHLLOKOSA-N 1 0 327.384 3.378 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000595739090 459419809 /nfs/dbraw/zinc/41/98/09/459419809.db2.gz SWYGOHREWZEUIZ-KURKYZTESA-N 1 0 346.427 3.191 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000595739088 459420347 /nfs/dbraw/zinc/42/03/47/459420347.db2.gz SWYGOHREWZEUIZ-KSZLIROESA-N 1 0 346.427 3.191 10 5 EGBERO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569276844 459425236 /nfs/dbraw/zinc/42/52/36/459425236.db2.gz HUVIXYHDYVPNQI-PELKAZGASA-N 1 0 346.168 3.088 10 5 EGBERO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000595751897 459425402 /nfs/dbraw/zinc/42/54/02/459425402.db2.gz YSQAPEHGGQDPHF-QGZVFWFLSA-N 1 0 345.468 3.405 10 5 EGBERO O=C(CC[NH2+][C@H]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000561576190 459466019 /nfs/dbraw/zinc/46/60/19/459466019.db2.gz OHGQCOJLRVJDCH-INIZCTEOSA-N 1 0 339.395 3.071 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000595871602 459468446 /nfs/dbraw/zinc/46/84/46/459468446.db2.gz PUIGKGUIZBGJHQ-INIZCTEOSA-N 1 0 331.416 3.238 10 5 EGBERO Cc1nccnc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569646925 459484487 /nfs/dbraw/zinc/48/44/87/459484487.db2.gz GDYUFFLMHOVWLF-LLVKDONJSA-N 1 0 325.372 3.068 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC1CC1)[C@H]1CC[C@H](O)CC1 ZINC000592130317 459530853 /nfs/dbraw/zinc/53/08/53/459530853.db2.gz BLYSOBCRMKXAGD-IYARVYRRSA-N 1 0 348.443 3.127 10 5 EGBERO CCOc1cc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000592177827 459543607 /nfs/dbraw/zinc/54/36/07/459543607.db2.gz UEIPVTWUJWNQLH-GOSISDBHSA-N 1 0 348.443 3.436 10 5 EGBERO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167367 459545749 /nfs/dbraw/zinc/54/57/49/459545749.db2.gz CGNCXGBUYWNJLC-WCQYABFASA-N 1 0 339.823 3.177 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592197675 459547122 /nfs/dbraw/zinc/54/71/22/459547122.db2.gz HFDGSRXMWGWNRM-INIZCTEOSA-N 1 0 347.415 3.197 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592377399 459586398 /nfs/dbraw/zinc/58/63/98/459586398.db2.gz VTMSREPLJLQQBU-SNWQSULHSA-N 1 0 336.457 3.497 10 5 EGBERO CC(C)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000592396639 459590700 /nfs/dbraw/zinc/59/07/00/459590700.db2.gz HWVIOJJUUWXYQC-IEBWSBKVSA-N 1 0 348.443 3.130 10 5 EGBERO Cc1cc(N2C[C@]3(C)COC[C@]3(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596442918 459638157 /nfs/dbraw/zinc/63/81/57/459638157.db2.gz MFODJKXWTCHLPD-HDICACEKSA-N 1 0 327.384 3.314 10 5 EGBERO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596647803 459713594 /nfs/dbraw/zinc/71/35/94/459713594.db2.gz CFWYVHVXSCYWPJ-GDIGMMSISA-N 1 0 325.412 3.391 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2cccs2)c1 ZINC000593024210 459742846 /nfs/dbraw/zinc/74/28/46/459742846.db2.gz ISJJSDSYMCGSDY-UHFFFAOYSA-N 1 0 334.397 3.468 10 5 EGBERO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000593464534 459897441 /nfs/dbraw/zinc/89/74/41/459897441.db2.gz KZQDHSCFUJVWBV-CXAGYDPISA-N 1 0 326.400 3.064 10 5 EGBERO C[C@@H]1c2ccccc2OCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609145501 459911988 /nfs/dbraw/zinc/91/19/88/459911988.db2.gz GUWISHZIBWIGDO-CQSZACIVSA-N 1 0 328.368 3.429 10 5 EGBERO Cn1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593694859 459953864 /nfs/dbraw/zinc/95/38/64/459953864.db2.gz CKQWPCARKIZODK-MRXNPFEDSA-N 1 0 348.353 3.226 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000598888747 460085750 /nfs/dbraw/zinc/08/57/50/460085750.db2.gz PDIFUAFZTBHING-UHFFFAOYSA-N 1 0 341.839 3.407 10 5 EGBERO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC1CC1 ZINC000598954360 460101359 /nfs/dbraw/zinc/10/13/59/460101359.db2.gz CJHDBPNGGJBUNM-UHFFFAOYSA-N 1 0 328.368 3.434 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599058191 460144221 /nfs/dbraw/zinc/14/42/21/460144221.db2.gz SBARLRBGHKXSQL-TUVASFSCSA-N 1 0 331.416 3.338 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000599084072 460154908 /nfs/dbraw/zinc/15/49/08/460154908.db2.gz RQLOMODKGUNKIX-GFCCVEGCSA-N 1 0 341.367 3.199 10 5 EGBERO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000599086837 460157563 /nfs/dbraw/zinc/15/75/63/460157563.db2.gz SQLVOKOJSPSMAD-CYBMUJFWSA-N 1 0 326.400 3.064 10 5 EGBERO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000599087715 460157997 /nfs/dbraw/zinc/15/79/97/460157997.db2.gz FNEUSRKYGLHMMS-KRWDZBQOSA-N 1 0 345.443 3.210 10 5 EGBERO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599702243 460316225 /nfs/dbraw/zinc/31/62/25/460316225.db2.gz PKRLHNBIXIDITI-AWEZNQCLSA-N 1 0 332.404 3.042 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000604562337 460449191 /nfs/dbraw/zinc/44/91/91/460449191.db2.gz LJRFQEHYBUFCOV-GOSISDBHSA-N 1 0 339.395 3.032 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228927 460450860 /nfs/dbraw/zinc/45/08/60/460450860.db2.gz HPUGCABNKFIJJP-HNNXBMFYSA-N 1 0 331.416 3.040 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000616092062 460469708 /nfs/dbraw/zinc/46/97/08/460469708.db2.gz GFYUNTBRWIKFAJ-LLVKDONJSA-N 1 0 341.358 3.337 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000601217824 460754673 /nfs/dbraw/zinc/75/46/73/460754673.db2.gz NLTUEKVOVPRNLU-UHFFFAOYSA-N 1 0 336.411 3.161 10 5 EGBERO CCC1([NH+](C)C)CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000601229241 460758732 /nfs/dbraw/zinc/75/87/32/460758732.db2.gz JTBSEYDKGURHBU-UHFFFAOYSA-N 1 0 349.431 3.000 10 5 EGBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)[C@H]2C1 ZINC000646937627 461458710 /nfs/dbraw/zinc/45/87/10/461458710.db2.gz PDMBAZXRQLCXHQ-BEFAXECRSA-N 1 0 331.419 3.164 10 5 EGBERO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000106465692 536892408 /nfs/dbraw/zinc/89/24/08/536892408.db2.gz FYEXJEHODQMAQH-UHFFFAOYSA-N 1 0 325.368 3.417 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732578856 575277971 /nfs/dbraw/zinc/27/79/71/575277971.db2.gz ZWINYLUCCCUWMU-TXEJJXNPSA-N 1 0 339.823 3.241 10 5 EGBERO COc1c(C(=O)O[C@@H](C)C[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000870785516 1296078004 /nfs/dbraw/zinc/07/80/04/1296078004.db2.gz PKUZKDDBLKOWME-QWHCGFSZSA-N 1 0 336.388 3.023 10 5 EGBERO COc1c(C(=O)O[C@H](C)C[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000870785515 1296078138 /nfs/dbraw/zinc/07/81/38/1296078138.db2.gz PKUZKDDBLKOWME-OLZOCXBDSA-N 1 0 336.388 3.023 10 5 EGBERO COc1cccc([C@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035055 1296683442 /nfs/dbraw/zinc/68/34/42/1296683442.db2.gz KIWQLEBQLREOAT-BDJLRTHQSA-N 1 0 334.347 3.127 10 5 EGBERO CC(C)(C)OC1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872219504 1296821663 /nfs/dbraw/zinc/82/16/63/1296821663.db2.gz SOJLXGOVTAKJLW-BDVYOWHSSA-N 1 0 336.432 3.344 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872274563 1296879996 /nfs/dbraw/zinc/87/99/96/1296879996.db2.gz BFXFZTUEOZXYFV-INIZCTEOSA-N 1 0 334.416 3.397 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000882304716 1301915768 /nfs/dbraw/zinc/91/57/68/1301915768.db2.gz MRVOUZVEHCMFMR-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cs1 ZINC000886300843 1303427442 /nfs/dbraw/zinc/42/74/42/1303427442.db2.gz QJRUPJXHLHLOBK-AWEZNQCLSA-N 1 0 340.445 3.112 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858472322 1328771589 /nfs/dbraw/zinc/77/15/89/1328771589.db2.gz XPYATOGYOXAFSV-YOEHRIQHSA-N 1 0 330.384 3.214 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000858506605 1328783102 /nfs/dbraw/zinc/78/31/02/1328783102.db2.gz VCHBBBQCYMUMHZ-XJKSGUPXSA-N 1 0 332.400 3.157 10 5 EGBERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514926 1328785745 /nfs/dbraw/zinc/78/57/45/1328785745.db2.gz XSSVKYCZUMSBGH-ZWKOTPCHSA-N 1 0 339.395 3.105 10 5 EGBERO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858912059 1328888959 /nfs/dbraw/zinc/88/89/59/1328888959.db2.gz SYPMDJQSDIQPSC-CQSZACIVSA-N 1 0 341.411 3.210 10 5 EGBERO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)nn1 ZINC000930638382 1328921258 /nfs/dbraw/zinc/92/12/58/1328921258.db2.gz NPXFYGNWCNLKNT-MRXNPFEDSA-N 1 0 326.400 3.381 10 5 EGBERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859124110 1328927950 /nfs/dbraw/zinc/92/79/50/1328927950.db2.gz ZEBFIHSNASLVHR-ZDUSSCGKSA-N 1 0 329.400 3.208 10 5 EGBERO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859187218 1328941387 /nfs/dbraw/zinc/94/13/87/1328941387.db2.gz ZKSNXYOESNEONW-HNNXBMFYSA-N 1 0 341.411 3.304 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000922846744 1322631475 /nfs/dbraw/zinc/63/14/75/1322631475.db2.gz YFGFSVDJTDRSRS-GFCCVEGCSA-N 1 0 338.429 3.217 10 5 EGBERO COc1ccc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000922962323 1322663139 /nfs/dbraw/zinc/66/31/39/1322663139.db2.gz RBEWWACOUZTDHG-LJQANCHMSA-N 1 0 342.395 3.399 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859927621 1329111149 /nfs/dbraw/zinc/11/11/49/1329111149.db2.gz MXJIEMMZVWFVAM-IJXRJRJASA-N 1 0 338.407 3.364 10 5 EGBERO CCc1ccc([C@H](NC[C@@H]2C[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925784630 1325300503 /nfs/dbraw/zinc/30/05/03/1325300503.db2.gz JNMYORLARFHIAT-FRIZHTMISA-N 1 0 343.427 3.285 10 5 EGBERO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861231434 1329399923 /nfs/dbraw/zinc/39/99/23/1329399923.db2.gz RIFYNXLXORBMMK-UHFFFAOYSA-N 1 0 329.400 3.162 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000862435467 1329486863 /nfs/dbraw/zinc/48/68/63/1329486863.db2.gz ZVMANXWLAODYAX-GFCCVEGCSA-N 1 0 348.712 3.338 10 5 EGBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000866021045 1329759717 /nfs/dbraw/zinc/75/97/17/1329759717.db2.gz SOFYIAUZUCKZNT-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCCS1 ZINC000866478807 1330117069 /nfs/dbraw/zinc/11/70/69/1330117069.db2.gz LHTDVQFFTIRVDS-SWLSCSKDSA-N 1 0 337.445 3.187 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC23CCOCC3)n1 ZINC000866532249 1330122490 /nfs/dbraw/zinc/12/24/90/1330122490.db2.gz VOPQLXGQVKHGPZ-HRCADAONSA-N 1 0 348.447 3.071 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)cccc1[N+](=O)[O-] ZINC000866534240 1330123184 /nfs/dbraw/zinc/12/31/84/1330123184.db2.gz PZHANPAOTWHZSJ-LSDHHAIUSA-N 1 0 334.416 3.140 10 5 EGBERO CC(C)=CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001193188888 1367960916 /nfs/dbraw/zinc/96/09/16/1367960916.db2.gz SDBQIIZXDPVXGJ-UHFFFAOYSA-N 1 0 343.431 3.340 10 5 EGBERO CCC(O)(CC)C(C)(C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001197156946 1368757095 /nfs/dbraw/zinc/75/70/95/1368757095.db2.gz OXKGZZMSMHZVJS-UHFFFAOYSA-N 1 0 348.403 3.064 10 5 EGBERO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125229283 1372762051 /nfs/dbraw/zinc/76/20/51/1372762051.db2.gz BFAURVRRWKIOAJ-QGZVFWFLSA-N 1 0 337.379 3.220 10 5 EGBERO Cc1c(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001130761164 1373589162 /nfs/dbraw/zinc/58/91/62/1373589162.db2.gz IMNQSEXJCCICMM-UHFFFAOYSA-N 1 0 347.334 3.351 10 5 EGBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)n1 ZINC001144594849 1378749491 /nfs/dbraw/zinc/74/94/91/1378749491.db2.gz CEZIZWKEAZFXCK-UHFFFAOYSA-N 1 0 349.350 3.111 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC4(CC4(F)F)C3)CC2)cc1 ZINC001327790489 1388596739 /nfs/dbraw/zinc/59/67/39/1388596739.db2.gz BASSZXLJGZYRFP-UHFFFAOYSA-N 1 0 337.370 3.341 10 5 EGBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001154889467 1380373634 /nfs/dbraw/zinc/37/36/34/1380373634.db2.gz NUOPVCAILCHWFN-LBPRGKRZSA-N 1 0 349.406 3.131 10 5 EGBERO CCc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001159980286 1381957606 /nfs/dbraw/zinc/95/76/06/1381957606.db2.gz QTCMCHHEEQBGLH-KRWDZBQOSA-N 1 0 347.459 3.398 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC001295664942 1382765472 /nfs/dbraw/zinc/76/54/72/1382765472.db2.gz PIUIRBFUDRFHQT-UHFFFAOYSA-N 1 0 345.443 3.220 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001295872170 1382850502 /nfs/dbraw/zinc/85/05/02/1382850502.db2.gz WNQCETUAKZUAJO-QAPCUYQASA-N 1 0 345.443 3.206 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001164036806 1383149163 /nfs/dbraw/zinc/14/91/63/1383149163.db2.gz FCQIFCXVTHIGBX-AWEZNQCLSA-N 1 0 333.775 3.105 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC001164380714 1383182990 /nfs/dbraw/zinc/18/29/90/1383182990.db2.gz ZOXYEYYCSJCZPE-XHVZSJERSA-N 1 0 329.322 3.366 10 5 EGBERO CCC(CC)[N@H+](CCOC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167310744 1383593101 /nfs/dbraw/zinc/59/31/01/1383593101.db2.gz YTRLZKMMXZECFG-UHFFFAOYSA-N 1 0 338.404 3.018 10 5 EGBERO CCC[N@@H+]1CC[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001306942046 1383923734 /nfs/dbraw/zinc/92/37/34/1383923734.db2.gz PNEDYPVLFXFJCB-LBPRGKRZSA-N 1 0 348.834 3.362 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001306942550 1383923792 /nfs/dbraw/zinc/92/37/92/1383923792.db2.gz UXIGDPOUNSOTDP-MGPQQGTHSA-N 1 0 349.431 3.160 10 5 EGBERO CC(C)Oc1nc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001306982259 1383929204 /nfs/dbraw/zinc/92/92/04/1383929204.db2.gz NYKHOBVIOPYVBK-OAHLLOKOSA-N 1 0 348.447 3.453 10 5 EGBERO CC(C)[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001307189476 1383953475 /nfs/dbraw/zinc/95/34/75/1383953475.db2.gz IBLKHJYSENIEAZ-CYBMUJFWSA-N 1 0 331.338 3.390 10 5 EGBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001307486066 1383997578 /nfs/dbraw/zinc/99/75/78/1383997578.db2.gz DTMLTZUWBVOLKS-HZPDHXFCSA-N 1 0 349.431 3.059 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001307856373 1384044360 /nfs/dbraw/zinc/04/43/60/1384044360.db2.gz KAQVWFAJQWHJAP-HNNXBMFYSA-N 1 0 334.416 3.494 10 5 EGBERO O=C(CC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001308122898 1384096613 /nfs/dbraw/zinc/09/66/13/1384096613.db2.gz YQKAPYLZCLBERU-YJBOKZPZSA-N 1 0 343.427 3.434 10 5 EGBERO C[N@H+](CCNC(=O)C1(C2CCC2)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317454674 1385153560 /nfs/dbraw/zinc/15/35/60/1385153560.db2.gz QBUKTTKFLUHVIL-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176020059 1385462592 /nfs/dbraw/zinc/46/25/92/1385462592.db2.gz CVUKILOTYRDWNZ-INIZCTEOSA-N 1 0 349.431 3.203 10 5 EGBERO COC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001176464052 1385596655 /nfs/dbraw/zinc/59/66/55/1385596655.db2.gz RUIPKFQTPHHJST-CYBMUJFWSA-N 1 0 328.796 3.316 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001329268391 1389043291 /nfs/dbraw/zinc/04/32/91/1389043291.db2.gz GECULDIMMAHKEM-UHFFFAOYSA-N 1 0 345.399 3.076 10 5 EGBERO C[C@H](NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001347629195 1391102699 /nfs/dbraw/zinc/10/26/99/1391102699.db2.gz UEBZISAJCKUHBS-ZDUSSCGKSA-N 1 0 348.447 3.218 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001348867014 1391277289 /nfs/dbraw/zinc/27/72/89/1391277289.db2.gz WJLSENDCCDDBMD-LBPRGKRZSA-N 1 0 339.461 3.167 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001349880867 1391380403 /nfs/dbraw/zinc/38/04/03/1391380403.db2.gz XJPZOSGZAUVOAF-CQSZACIVSA-N 1 0 335.448 3.370 10 5 EGBERO C[N@H+](CCCNC(=O)C1(C)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479787488 1392389594 /nfs/dbraw/zinc/38/95/94/1392389594.db2.gz FBWGFHDVUXKVCV-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001482011047 1394670490 /nfs/dbraw/zinc/67/04/90/1394670490.db2.gz MKAUYUXZKRUQRP-WKILWMFISA-N 1 0 333.432 3.302 10 5 EGBERO CCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691460783 1405282859 /nfs/dbraw/zinc/28/28/59/1405282859.db2.gz FIPVQUHUVIFTHC-GASCZTMLSA-N 1 0 333.432 3.015 10 5 EGBERO CCC(C)(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691501205 1405306190 /nfs/dbraw/zinc/30/61/90/1405306190.db2.gz JGEWSTXPYIBGGN-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO O=C(CC1CCCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691688301 1405423324 /nfs/dbraw/zinc/42/33/24/1405423324.db2.gz UBORDKIEVVJPOT-CALCHBBNSA-N 1 0 345.443 3.160 10 5 EGBERO C=C/C(C)=C/CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691735017 1405457398 /nfs/dbraw/zinc/45/73/98/1405457398.db2.gz URHGPLVCCDJEEQ-CSUGXWDZSA-N 1 0 349.456 3.163 10 5 EGBERO CC(C)C(C)(C)C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001699512133 1412899407 /nfs/dbraw/zinc/89/94/07/1412899407.db2.gz UHKKKRCLNPGLTQ-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)CCC1 ZINC001700135740 1413552554 /nfs/dbraw/zinc/55/25/54/1413552554.db2.gz NJOWNSXDVOBMEJ-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001732832495 1429000359 /nfs/dbraw/zinc/00/03/59/1429000359.db2.gz ZRWPUUQAGAJBTP-FPLPWBNLSA-N 1 0 345.443 3.327 10 5 EGBERO C[N@H+](CCCNC(=O)/C=C\C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001707367632 1417296872 /nfs/dbraw/zinc/29/68/72/1417296872.db2.gz VKPUSXYRNOKSPR-KTKRTIGZSA-N 1 0 333.432 3.135 10 5 EGBERO O=C(CC1CCC1)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001715093323 1419834155 /nfs/dbraw/zinc/83/41/55/1419834155.db2.gz YFTFMCHWUHUQPQ-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C)s1 ZINC001715715254 1420308039 /nfs/dbraw/zinc/30/80/39/1420308039.db2.gz UUFNKWSFJOJMII-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO Cc1cccc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001716526711 1420751495 /nfs/dbraw/zinc/75/14/95/1420751495.db2.gz ZDBCKRALMXORJR-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CC1(NC(=O)CCC2CC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733355346 1429535861 /nfs/dbraw/zinc/53/58/61/1429535861.db2.gz DXZBRBYGVVMYIH-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccco1 ZINC001725138111 1425614102 /nfs/dbraw/zinc/61/41/02/1425614102.db2.gz QXPTXYCIIAJSPB-UHFFFAOYSA-N 1 0 345.399 3.076 10 5 EGBERO CC/C=C(\C)C(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733861694 1437691365 /nfs/dbraw/zinc/69/13/65/1437691365.db2.gz UMJKDCVDQXXBLI-PJQLUOCWSA-N 1 0 345.443 3.422 10 5 EGBERO CC[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000187282026 529605285 /nfs/dbraw/zinc/60/52/85/529605285.db2.gz IGAZPEFZEHGGCD-MRXNPFEDSA-N 1 0 348.447 3.172 10 5 EGBERO COc1ccc([C@@H](O)C[NH2+][C@@H](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077311797 203379993 /nfs/dbraw/zinc/37/99/93/203379993.db2.gz DVUFPRMEKXKECP-LIRRHRJNSA-N 1 0 344.411 3.248 10 5 in-vitro EGBERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212607 204188358 /nfs/dbraw/zinc/18/83/58/204188358.db2.gz XNHXYAIXGBDXQB-HNNXBMFYSA-N 1 0 344.415 3.070 10 5 EGBERO COc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107697421 204242559 /nfs/dbraw/zinc/24/25/59/204242559.db2.gz PUSVTIHHOZYJRN-INIZCTEOSA-N 1 0 333.432 3.054 10 5 EGBERO O=[N+]([O-])c1c2cccnc2ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000112074833 285079235 /nfs/dbraw/zinc/07/92/35/285079235.db2.gz IDZRWJMLKKRKQJ-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000269359451 255569564 /nfs/dbraw/zinc/56/95/64/255569564.db2.gz VFDWFSRATUFSCI-OAHLLOKOSA-N 1 0 336.457 3.438 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000185433037 144112452 /nfs/dbraw/zinc/11/24/52/144112452.db2.gz HTXDODCGKRNIFU-SJLPKXTDSA-N 1 0 347.459 3.106 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000185004445 286288191 /nfs/dbraw/zinc/28/81/91/286288191.db2.gz JRIUCJMDLPPVGQ-IAOVAPTHSA-N 1 0 334.416 3.220 10 5 EGBERO CC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000119878488 152234328 /nfs/dbraw/zinc/23/43/28/152234328.db2.gz XUNKXXPGDAUUGR-ZDUSSCGKSA-N 1 0 335.385 3.159 10 5 EGBERO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300489119 154022702 /nfs/dbraw/zinc/02/27/02/154022702.db2.gz WRSYOVNEDQUJHI-WDEREUQCSA-N 1 0 342.237 3.229 10 5 EGBERO COc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000125547996 162276746 /nfs/dbraw/zinc/27/67/46/162276746.db2.gz HOVLIUMCVLZBOC-CYBMUJFWSA-N 1 0 330.384 3.372 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248575383 163016760 /nfs/dbraw/zinc/01/67/60/163016760.db2.gz PADARYAXXCDVTK-XJKSGUPXSA-N 1 0 334.420 3.097 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000249102557 163056687 /nfs/dbraw/zinc/05/66/87/163056687.db2.gz PSYQVRNUVUQCKV-CABCVRRESA-N 1 0 346.431 3.302 10 5 EGBERO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000342171534 163805018 /nfs/dbraw/zinc/80/50/18/163805018.db2.gz JGJZJBNYVPQMLL-UHFFFAOYSA-N 1 0 330.384 3.253 10 5 EGBERO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000344411377 164173209 /nfs/dbraw/zinc/17/32/09/164173209.db2.gz CLGPKMCJRHCBIB-UHFFFAOYSA-N 1 0 330.413 3.282 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCSC[C@@H]3CCO)o2)cc1 ZINC000355083963 166102734 /nfs/dbraw/zinc/10/27/34/166102734.db2.gz VEKYKGKSFIOOJX-HNNXBMFYSA-N 1 0 348.424 3.155 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000270651309 266538581 /nfs/dbraw/zinc/53/85/81/266538581.db2.gz MOJGTDRLNBBJPR-SJLPKXTDSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000273396485 267033332 /nfs/dbraw/zinc/03/33/32/267033332.db2.gz LDSUFFYPQABKPU-OAHLLOKOSA-N 1 0 336.457 3.438 10 5 EGBERO Cc1csc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000275160179 267326248 /nfs/dbraw/zinc/32/62/48/267326248.db2.gz IRDDIRGBHLHWFL-AWEZNQCLSA-N 1 0 333.413 3.062 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275570352 267383967 /nfs/dbraw/zinc/38/39/67/267383967.db2.gz CKOSNFHJZSTKLH-UHFFFAOYSA-N 1 0 327.384 3.260 10 5 EGBERO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282430635 275633325 /nfs/dbraw/zinc/63/33/25/275633325.db2.gz MJKGWEJKMCHPED-SJORKVTESA-N 1 0 326.400 3.373 10 5 EGBERO Nc1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000288141020 276185973 /nfs/dbraw/zinc/18/59/73/276185973.db2.gz YUQLRVAXIYZZCO-OAHLLOKOSA-N 1 0 332.448 3.269 10 5 EGBERO Cc1cc(N2CCO[C@H](C3CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413479683 309033823 /nfs/dbraw/zinc/03/38/23/309033823.db2.gz QOXLMYXATVCARZ-SFHVURJKSA-N 1 0 327.384 3.457 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000415478831 309134717 /nfs/dbraw/zinc/13/47/17/309134717.db2.gz DUARTWVEBBXEEF-UHFFFAOYSA-N 1 0 334.420 3.385 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000417840717 309224594 /nfs/dbraw/zinc/22/45/94/309224594.db2.gz FNNSCPFCDKPRNT-CQSZACIVSA-N 1 0 348.447 3.315 10 5 EGBERO CCOC(=O)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000435272742 309728381 /nfs/dbraw/zinc/72/83/81/309728381.db2.gz SSVPUGQNPMSLNW-CLFYSBASSA-N 1 0 332.400 3.464 10 5 EGBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000441257028 309865727 /nfs/dbraw/zinc/86/57/27/309865727.db2.gz JMQCTPXTBGKAPF-UGFHNGPFSA-N 1 0 346.387 3.253 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449665808 310079156 /nfs/dbraw/zinc/07/91/56/310079156.db2.gz DCTSXJGNGOYAAC-OKHRAOBTSA-N 1 0 344.333 3.243 10 5 EGBERO CC[NH+](CC)CCN(CCC(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000450399684 310120261 /nfs/dbraw/zinc/12/02/61/310120261.db2.gz DQPFEJWNNWXQJZ-UHFFFAOYSA-N 1 0 334.342 3.090 10 5 EGBERO C[C@@]12C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357445 310173945 /nfs/dbraw/zinc/17/39/45/310173945.db2.gz AAHJQRXALMMFJL-YVVSIOMPSA-N 1 0 325.368 3.380 10 5 EGBERO CC[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000451952636 310204799 /nfs/dbraw/zinc/20/47/99/310204799.db2.gz GWYVYSSGUGIUFW-UONOGXRCSA-N 1 0 349.431 3.443 10 5 EGBERO CC(C)[N@@H+]1CCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488111159 311051698 /nfs/dbraw/zinc/05/16/98/311051698.db2.gz NVTOWRFJWZOZLL-AWEZNQCLSA-N 1 0 328.416 3.097 10 5 EGBERO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488770966 311079549 /nfs/dbraw/zinc/07/95/49/311079549.db2.gz TXDOLDHBOQDFCC-MRXNPFEDSA-N 1 0 345.443 3.385 10 5 EGBERO COc1cccc2c1CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000489421356 311105366 /nfs/dbraw/zinc/10/53/66/311105366.db2.gz FSRKKOXYOBHALT-UHFFFAOYSA-N 1 0 342.395 3.083 10 5 EGBERO C[C@@](O)(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492044202 311211739 /nfs/dbraw/zinc/21/17/39/311211739.db2.gz OQYQKYCTNAAQOE-RTBURBONSA-N 1 0 326.396 3.435 10 5 EGBERO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000492852988 311299193 /nfs/dbraw/zinc/29/91/93/311299193.db2.gz PTHSTGZVKIEMGC-APWZRJJASA-N 1 0 342.395 3.471 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371727 312208069 /nfs/dbraw/zinc/20/80/69/312208069.db2.gz QDTIIBARDNGXAP-UHFFFAOYSA-N 1 0 329.375 3.446 10 5 EGBERO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515649482 312292839 /nfs/dbraw/zinc/29/28/39/312292839.db2.gz ABHFYZMJWQUIBU-QGZVFWFLSA-N 1 0 331.803 3.306 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000515870307 312301598 /nfs/dbraw/zinc/30/15/98/312301598.db2.gz VLMLFNJGPLFCRM-DZGCQCFKSA-N 1 0 331.416 3.057 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549614071 315098769 /nfs/dbraw/zinc/09/87/69/315098769.db2.gz MGCLPASKNDZSEJ-RLFYNMQTSA-N 1 0 348.443 3.122 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000550829437 315135515 /nfs/dbraw/zinc/13/55/15/315135515.db2.gz HKQIXMFOVXMEAQ-VBRUCIBASA-N 1 0 331.416 3.480 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@](C)(CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000570131489 317011102 /nfs/dbraw/zinc/01/11/02/317011102.db2.gz NXUWPEBXODVEHC-SFHVURJKSA-N 1 0 348.399 3.360 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])cc1F ZINC000570579661 317076518 /nfs/dbraw/zinc/07/65/18/317076518.db2.gz AAYUKVGLGUXVGI-ZDUSSCGKSA-N 1 0 345.374 3.435 10 5 EGBERO Cc1cccc(NC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)[nH+]1 ZINC000171365609 323231711 /nfs/dbraw/zinc/23/17/11/323231711.db2.gz XQLIAEKNLSQAQL-ZDUSSCGKSA-N 1 0 330.363 3.376 10 5 EGBERO O=C(CC[NH2+]C[C@H]1CC12CCSCC2)Nc1ccccc1[N+](=O)[O-] ZINC000577216742 324766116 /nfs/dbraw/zinc/76/61/16/324766116.db2.gz SLWRRABFUAQNBY-CYBMUJFWSA-N 1 0 349.456 3.046 10 5 EGBERO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184258906 455367213 /nfs/dbraw/zinc/36/72/13/455367213.db2.gz LXMSAYHHHGYVAR-NSHDSACASA-N 1 0 334.401 3.039 10 5 EGBERO COc1cccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000066796575 453873945 /nfs/dbraw/zinc/87/39/45/453873945.db2.gz QDWFRQUDPSDWDT-KRWDZBQOSA-N 1 0 342.399 3.247 10 5 EGBERO Cc1sc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000058263674 454175730 /nfs/dbraw/zinc/17/57/30/454175730.db2.gz DTBYKNSCTPRIKT-UHFFFAOYSA-N 1 0 337.445 3.055 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119263954 454182459 /nfs/dbraw/zinc/18/24/59/454182459.db2.gz LYHOQCMBBVALDS-KRWDZBQOSA-N 1 0 344.415 3.166 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119376833 454190657 /nfs/dbraw/zinc/19/06/57/454190657.db2.gz VWORCJIYJUXPII-CYBMUJFWSA-N 1 0 339.823 3.098 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090068595 454271076 /nfs/dbraw/zinc/27/10/76/454271076.db2.gz BMIUOOIVNVVYFV-GUYCJALGSA-N 1 0 333.432 3.473 10 5 EGBERO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090073660 454273405 /nfs/dbraw/zinc/27/34/05/454273405.db2.gz NFSQOUMSIAHRJM-YOEHRIQHSA-N 1 0 348.447 3.220 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132065873 454310483 /nfs/dbraw/zinc/31/04/83/454310483.db2.gz XBCYPKBVUKDAFX-LSDHHAIUSA-N 1 0 334.416 3.173 10 5 EGBERO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060877215 454318190 /nfs/dbraw/zinc/31/81/90/454318190.db2.gz LYQFUKIPEJTBJW-CVEARBPZSA-N 1 0 336.432 3.235 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047144512 454333520 /nfs/dbraw/zinc/33/35/20/454333520.db2.gz MSGMINMWRWMBBF-GFCCVEGCSA-N 1 0 347.440 3.414 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032481 454390776 /nfs/dbraw/zinc/39/07/76/454390776.db2.gz QEECMYGGKZDQKJ-DZGCQCFKSA-N 1 0 344.415 3.164 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462633 454419968 /nfs/dbraw/zinc/41/99/68/454419968.db2.gz PONIBXKPODETCK-IUODEOHRSA-N 1 0 325.840 3.410 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000092105378 454525392 /nfs/dbraw/zinc/52/53/92/454525392.db2.gz QLDLBLFGZKCZNT-NVXWUHKLSA-N 1 0 345.443 3.209 10 5 EGBERO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000092656958 454602613 /nfs/dbraw/zinc/60/26/13/454602613.db2.gz XYJKUXVTPXBHHE-ZYHUDNBSSA-N 1 0 329.347 3.115 10 5 EGBERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000051060797 454607159 /nfs/dbraw/zinc/60/71/59/454607159.db2.gz FPGVZMDULHTFTH-GOEBONIOSA-N 1 0 333.432 3.284 10 5 EGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000105895840 454665466 /nfs/dbraw/zinc/66/54/66/454665466.db2.gz XYWXMIFWYHNNJZ-QGZVFWFLSA-N 1 0 328.416 3.325 10 5 EGBERO CN(C(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153006511 454752237 /nfs/dbraw/zinc/75/22/37/454752237.db2.gz ZDQOCWFZTMYHTN-UHFFFAOYSA-N 1 0 339.395 3.006 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C4CCOCC4)CC3)nc2c1 ZINC000153449184 454794147 /nfs/dbraw/zinc/79/41/47/454794147.db2.gz UQSVMKQGXBYFJN-UHFFFAOYSA-N 1 0 345.399 3.375 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153626411 454813503 /nfs/dbraw/zinc/81/35/03/454813503.db2.gz XJQCEHYOCDZTDA-PBHICJAKSA-N 1 0 344.411 3.248 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000154144343 454869161 /nfs/dbraw/zinc/86/91/61/454869161.db2.gz HUOJWFGWKMGFHU-WMLDXEAASA-N 1 0 344.411 3.420 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000164120417 454874562 /nfs/dbraw/zinc/87/45/62/454874562.db2.gz VFKMCJGDYZTCRR-GXTWGEPZSA-N 1 0 349.456 3.016 10 5 EGBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccs1 ZINC000129995037 455137169 /nfs/dbraw/zinc/13/71/69/455137169.db2.gz QVUWVDSCSFCWIW-XHDPSFHLSA-N 1 0 349.412 3.062 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000182815437 455170214 /nfs/dbraw/zinc/17/02/14/455170214.db2.gz JEKLYDDWVRFDSC-FUHWJXTLSA-N 1 0 347.459 3.151 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000180533817 455191708 /nfs/dbraw/zinc/19/17/08/455191708.db2.gz QUPCKUVQAVJSGL-ZBFHGGJFSA-N 1 0 343.431 3.365 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245382300 455283231 /nfs/dbraw/zinc/28/32/31/455283231.db2.gz IHJKCEHZDXDTHT-BBRMVZONSA-N 1 0 328.368 3.428 10 5 EGBERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600994898 460669240 /nfs/dbraw/zinc/66/92/40/460669240.db2.gz CBWHBTWRMHHLAE-HNNXBMFYSA-N 1 0 345.443 3.007 10 5 EGBERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182176035 455453411 /nfs/dbraw/zinc/45/34/11/455453411.db2.gz GJDOGCZHMVETNE-RHSMWYFYSA-N 1 0 344.411 3.248 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246328493 455472306 /nfs/dbraw/zinc/47/23/06/455472306.db2.gz CSGFWKGHASQCFI-VBQJREDUSA-N 1 0 348.447 3.028 10 5 EGBERO CC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246461170 455494535 /nfs/dbraw/zinc/49/45/35/455494535.db2.gz NFSQOUMSIAHRJM-RHSMWYFYSA-N 1 0 348.447 3.220 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000185504389 455569427 /nfs/dbraw/zinc/56/94/27/455569427.db2.gz DSDQLCMPKIBWAL-LESCRADOSA-N 1 0 347.459 3.008 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247430937 455599821 /nfs/dbraw/zinc/59/98/21/455599821.db2.gz ORWYWWWWOBOTSW-FZMZJTMJSA-N 1 0 339.823 3.051 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247430946 455600371 /nfs/dbraw/zinc/60/03/71/455600371.db2.gz ORWYWWWWOBOTSW-SMDDNHRTSA-N 1 0 339.823 3.051 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247981964 455665266 /nfs/dbraw/zinc/66/52/66/455665266.db2.gz HQLVUCFTARCWEL-MSOLQXFVSA-N 1 0 339.395 3.078 10 5 EGBERO CC[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192680890 455668182 /nfs/dbraw/zinc/66/81/82/455668182.db2.gz VTXFOQMTEPXQTK-QGZVFWFLSA-N 1 0 331.416 3.037 10 5 EGBERO CCC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284351812 455673182 /nfs/dbraw/zinc/67/31/82/455673182.db2.gz NJZMRPHSUYJDDS-PVAVHDDUSA-N 1 0 338.448 3.184 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000192810395 455699276 /nfs/dbraw/zinc/69/92/76/455699276.db2.gz CPIASJPKYXEAGR-HOCLYGCPSA-N 1 0 341.415 3.013 10 5 EGBERO Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000193575812 455765781 /nfs/dbraw/zinc/76/57/81/455765781.db2.gz WRNZKDHIPFDTQG-INIZCTEOSA-N 1 0 342.399 3.328 10 5 EGBERO CC(C)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261751119 455940835 /nfs/dbraw/zinc/94/08/35/455940835.db2.gz QCHXWIWRCBISBY-IBGZPJMESA-N 1 0 340.427 3.260 10 5 EGBERO Cc1cc(NCC[N@@H+](C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301262253 456074385 /nfs/dbraw/zinc/07/43/85/456074385.db2.gz VHMIFVZTECLTTI-UHFFFAOYSA-N 1 0 329.404 3.112 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000601112992 460716508 /nfs/dbraw/zinc/71/65/08/460716508.db2.gz AJWXEHZAYOBFMJ-AWEZNQCLSA-N 1 0 336.411 3.221 10 5 EGBERO CC(=O)c1ccc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301792162 456215496 /nfs/dbraw/zinc/21/54/96/456215496.db2.gz RDTZHZDPGHFCHQ-CYBMUJFWSA-N 1 0 331.416 3.251 10 5 EGBERO COc1cncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1C ZINC000601124161 460719848 /nfs/dbraw/zinc/71/98/48/460719848.db2.gz APUSBUUGTFDGQP-UHFFFAOYSA-N 1 0 340.383 3.120 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967902 456260737 /nfs/dbraw/zinc/26/07/37/456260737.db2.gz XCQHBWXENIPALS-WCQYABFASA-N 1 0 341.358 3.259 10 5 EGBERO COc1cc(CN2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352780082 456299804 /nfs/dbraw/zinc/29/98/04/456299804.db2.gz ROTIQSKPQQQMBO-KRWDZBQOSA-N 1 0 342.395 3.047 10 5 EGBERO CN1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000340279195 456357607 /nfs/dbraw/zinc/35/76/07/456357607.db2.gz OTIGVDAKERRBQD-OALUTQOASA-N 1 0 341.411 3.009 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000298289867 456415563 /nfs/dbraw/zinc/41/55/63/456415563.db2.gz OYSUXCPMTIPWKL-LSDHHAIUSA-N 1 0 326.343 3.471 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cc(F)ccc1F ZINC000282332525 456479797 /nfs/dbraw/zinc/47/97/97/456479797.db2.gz BDELIIFQKUFNSB-QGZVFWFLSA-N 1 0 336.338 3.081 10 5 EGBERO Cc1sc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000299223692 456635805 /nfs/dbraw/zinc/63/58/05/456635805.db2.gz OUJASHZHXBFWIT-UHFFFAOYSA-N 1 0 339.461 3.207 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCCO1 ZINC000277198484 456720816 /nfs/dbraw/zinc/72/08/16/456720816.db2.gz JDZWAIPNJJCUTI-CYBMUJFWSA-N 1 0 340.445 3.208 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1F ZINC000283207066 456737612 /nfs/dbraw/zinc/73/76/12/456737612.db2.gz RTFRANZDYCELKY-ZDUSSCGKSA-N 1 0 345.378 3.040 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cccc1[N+](=O)[O-] ZINC000283470333 456787210 /nfs/dbraw/zinc/78/72/10/456787210.db2.gz WDSBMDWPHALBRX-DAYGRLMNSA-N 1 0 348.443 3.122 10 5 EGBERO COc1cc(CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc(OC)c1 ZINC000283695291 456826087 /nfs/dbraw/zinc/82/60/87/456826087.db2.gz XMMHTXQVCHQFDY-UHFFFAOYSA-N 1 0 334.347 3.383 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H](O)C(F)(F)F)o2)cc1 ZINC000349274470 456927597 /nfs/dbraw/zinc/92/75/97/456927597.db2.gz FPIUTZNNEWRITO-AWEZNQCLSA-N 1 0 344.289 3.258 10 5 EGBERO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000342631909 457417116 /nfs/dbraw/zinc/41/71/16/457417116.db2.gz KWPBCKPWTIMIAI-KRWDZBQOSA-N 1 0 344.411 3.377 10 5 EGBERO O=[N+]([O-])c1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397694706 457490650 /nfs/dbraw/zinc/49/06/50/457490650.db2.gz RFRDURUNMDNDBF-UHFFFAOYSA-N 1 0 341.411 3.034 10 5 EGBERO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCOC1 ZINC000426528325 457849871 /nfs/dbraw/zinc/84/98/71/457849871.db2.gz DPAHDUCTQHCCPQ-INIZCTEOSA-N 1 0 346.383 3.092 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000411292205 457851730 /nfs/dbraw/zinc/85/17/30/457851730.db2.gz DPMJFEJWUUOONY-QWHCGFSZSA-N 1 0 335.404 3.052 10 5 EGBERO CCC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366332 457865654 /nfs/dbraw/zinc/86/56/54/457865654.db2.gz JHVRAPQMOYNLIM-GJZGRUSLSA-N 1 0 349.431 3.203 10 5 EGBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426794060 457904758 /nfs/dbraw/zinc/90/47/58/457904758.db2.gz QFVMUZBYTMRMTR-ZIAGYGMSSA-N 1 0 345.399 3.015 10 5 EGBERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2C1 ZINC000367045679 457924862 /nfs/dbraw/zinc/92/48/62/457924862.db2.gz OEFYKNGOLMPRPT-UHFFFAOYSA-N 1 0 340.383 3.214 10 5 EGBERO CC(C)[N@H+](CCc1nccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444672689 457934845 /nfs/dbraw/zinc/93/48/45/457934845.db2.gz ZMYHYFKYVRTUHX-UHFFFAOYSA-N 1 0 345.428 3.381 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000411983673 458033055 /nfs/dbraw/zinc/03/30/55/458033055.db2.gz MCBCABKONQMQOV-INIZCTEOSA-N 1 0 326.400 3.061 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000428554481 458170222 /nfs/dbraw/zinc/17/02/22/458170222.db2.gz ZNZPITYULOHSPW-RBUKOAKNSA-N 1 0 344.386 3.298 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362447549 458183383 /nfs/dbraw/zinc/18/33/83/458183383.db2.gz LIGHGPZDBVGPOQ-YOEHRIQHSA-N 1 0 334.416 3.383 10 5 EGBERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1)N1CCCCC1 ZINC000435736031 458193268 /nfs/dbraw/zinc/19/32/68/458193268.db2.gz SOUZMQNPMQCPOQ-HIFRSBDPSA-N 1 0 349.406 3.005 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000429121878 458276181 /nfs/dbraw/zinc/27/61/81/458276181.db2.gz IIMSGEBBOZTUBK-APPDUMDISA-N 1 0 348.424 3.457 10 5 EGBERO Cn1cc(C[NH+]2CC(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459645834 458434651 /nfs/dbraw/zinc/43/46/51/458434651.db2.gz RKWSFRCNAKNMKJ-UHFFFAOYSA-N 1 0 328.416 3.473 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000431077824 458526774 /nfs/dbraw/zinc/52/67/74/458526774.db2.gz QRXCDNWLQZFBFD-XZNOPERXSA-N 1 0 347.415 3.099 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000468634552 458529066 /nfs/dbraw/zinc/52/90/66/458529066.db2.gz FUITWEWLNOHFQT-RKCSUWQLSA-N 1 0 340.379 3.428 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000518208224 458849047 /nfs/dbraw/zinc/84/90/47/458849047.db2.gz VSWOZMYYVZQOCB-UHFFFAOYSA-N 1 0 349.456 3.050 10 5 EGBERO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441658723 458968924 /nfs/dbraw/zinc/96/89/24/458968924.db2.gz WROHEGPONZYAEU-WBVHZDCISA-N 1 0 336.432 3.235 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC3(CCCC3)O2)n1 ZINC000594521833 459078837 /nfs/dbraw/zinc/07/88/37/459078837.db2.gz UUCPRRCRGIDPLX-BZUAXINKSA-N 1 0 348.447 3.356 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000594739145 459147889 /nfs/dbraw/zinc/14/78/89/459147889.db2.gz LLXDRKNFVHHWFR-UABKOXTMSA-N 1 0 339.395 3.381 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590599979 459158068 /nfs/dbraw/zinc/15/80/68/459158068.db2.gz IGPKMPWTEBVXCN-HNNXBMFYSA-N 1 0 327.384 3.248 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595063351 459233320 /nfs/dbraw/zinc/23/33/20/459233320.db2.gz QMDPJYMSFMFVHX-RGIVZKHGSA-N 1 0 348.443 3.128 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595068377 459235120 /nfs/dbraw/zinc/23/51/20/459235120.db2.gz LNRMVWRNVKKEJF-QMTHXVAHSA-N 1 0 330.331 3.068 10 5 EGBERO C[C@]1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595080031 459239690 /nfs/dbraw/zinc/23/96/90/459239690.db2.gz IUBGHBPPGFBOAV-DYEKYZERSA-N 1 0 328.363 3.300 10 5 EGBERO Cc1cncc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595091921 459241787 /nfs/dbraw/zinc/24/17/87/459241787.db2.gz UNUMFCQNTCBQLH-YJBOKZPZSA-N 1 0 340.427 3.237 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000595110214 459248113 /nfs/dbraw/zinc/24/81/13/459248113.db2.gz YSPGRMJIUUGJMC-OFQRWUPVSA-N 1 0 328.416 3.390 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000595817633 459451410 /nfs/dbraw/zinc/45/14/10/459451410.db2.gz AENIEMGXDWFSMA-KBHBFKLGSA-N 1 0 337.395 3.428 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595837719 459459667 /nfs/dbraw/zinc/45/96/67/459459667.db2.gz SCFIVKHMJKZQDO-HNNXBMFYSA-N 1 0 331.416 3.070 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccccc1 ZINC000485987751 459483050 /nfs/dbraw/zinc/48/30/50/459483050.db2.gz GRJAPWTVQNRJIP-GUYCJALGSA-N 1 0 330.363 3.173 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@H]1CCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592132523 459532884 /nfs/dbraw/zinc/53/28/84/459532884.db2.gz IBPCOKPNEFDGFX-KZNAEPCWSA-N 1 0 348.443 3.269 10 5 EGBERO COc1ccccc1C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000592142776 459533597 /nfs/dbraw/zinc/53/35/97/459533597.db2.gz DPBXLEZVRWYVGQ-UHFFFAOYSA-N 1 0 328.368 3.261 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592198678 459547972 /nfs/dbraw/zinc/54/79/72/459547972.db2.gz PUVXGZZDIGLVBY-INIZCTEOSA-N 1 0 347.415 3.197 10 5 EGBERO COc1cc(NCC[C@H]2CCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596272273 459580630 /nfs/dbraw/zinc/58/06/30/459580630.db2.gz WFEYLKWGYOQCEL-LLVKDONJSA-N 1 0 327.812 3.401 10 5 EGBERO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000592396708 459591201 /nfs/dbraw/zinc/59/12/01/459591201.db2.gz JDVAZHOSYSWBIO-LXTVHRRPSA-N 1 0 336.436 3.211 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596308703 459592362 /nfs/dbraw/zinc/59/23/62/459592362.db2.gz LJNGQRLDDVXHLC-SECBINFHSA-N 1 0 332.326 3.293 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000596656438 459717164 /nfs/dbraw/zinc/71/71/64/459717164.db2.gz CFJJHWCZORVTFI-OAHLLOKOSA-N 1 0 348.447 3.002 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)o2)cc1 ZINC000597232787 459886326 /nfs/dbraw/zinc/88/63/26/459886326.db2.gz WKTCYQJTAZLFJT-LSDHHAIUSA-N 1 0 328.368 3.323 10 5 EGBERO CCC[N@H+](C)C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465351 459897322 /nfs/dbraw/zinc/89/73/22/459897322.db2.gz NXORKPAUMXPITJ-CQSZACIVSA-N 1 0 328.416 3.311 10 5 EGBERO C[C@@H]1C[N@H+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000593473054 459899542 /nfs/dbraw/zinc/89/95/42/459899542.db2.gz QYCQSXSZCJFCNF-CQSZACIVSA-N 1 0 344.415 3.056 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c(Cl)c1 ZINC000593652593 459941845 /nfs/dbraw/zinc/94/18/45/459941845.db2.gz HLQNNWJYEVFAJQ-SFHVURJKSA-N 1 0 346.814 3.214 10 5 EGBERO CC[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725195 459965445 /nfs/dbraw/zinc/96/54/45/459965445.db2.gz HVOUHYTTYVMXDT-IAGOWNOFSA-N 1 0 341.411 3.412 10 5 EGBERO C[N@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000610061804 460057773 /nfs/dbraw/zinc/05/77/73/460057773.db2.gz CUKGVFZSDKDIPH-UHFFFAOYSA-N 1 0 347.459 3.253 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000589349847 460077204 /nfs/dbraw/zinc/07/72/04/460077204.db2.gz TZFGAOIOCNCGIP-STQMWFEESA-N 1 0 346.456 3.336 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597858144 460082781 /nfs/dbraw/zinc/08/27/81/460082781.db2.gz KJKYJOQMVQHUKX-GFCCVEGCSA-N 1 0 339.823 3.159 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC(C)(C)CC2)c1 ZINC000589512834 460096920 /nfs/dbraw/zinc/09/69/20/460096920.db2.gz CEWMXMHADSWXJG-UHFFFAOYSA-N 1 0 338.429 3.099 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000599049879 460141262 /nfs/dbraw/zinc/14/12/62/460141262.db2.gz UULQWWWKIRQVQL-HNNXBMFYSA-N 1 0 340.427 3.455 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4cnccc4c3)CC2)n1 ZINC000618822546 460188094 /nfs/dbraw/zinc/18/80/94/460188094.db2.gz CARKZFFPZUFTRK-UHFFFAOYSA-N 1 0 337.383 3.177 10 5 EGBERO C[C@@](CO)([NH2+]C[C@H]1CCCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962825 460203349 /nfs/dbraw/zinc/20/33/49/460203349.db2.gz PLRBGCIYBVOIAY-HIFRSBDPSA-N 1 0 328.359 3.217 10 5 EGBERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625187 460290983 /nfs/dbraw/zinc/29/09/83/460290983.db2.gz GXKRVIKEXZIQBN-VSBZFQJLSA-N 1 0 346.387 3.107 10 5 EGBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCCC[NH+]1CCCC1 ZINC000601169627 460740490 /nfs/dbraw/zinc/74/04/90/460740490.db2.gz NJLCNEPPTYNOIT-UHFFFAOYSA-N 1 0 349.357 3.025 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000601229485 460758695 /nfs/dbraw/zinc/75/86/95/460758695.db2.gz RFKGYZNFPAPYDV-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ncc(C)s1 ZINC000179466417 528612876 /nfs/dbraw/zinc/61/28/76/528612876.db2.gz DPDQYWQQCWYYSI-UHFFFAOYSA-N 1 0 335.429 3.433 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000266229851 535450782 /nfs/dbraw/zinc/45/07/82/535450782.db2.gz NIJZKGAQOFUBTG-UHFFFAOYSA-N 1 0 345.399 3.193 10 5 EGBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000178949982 536354321 /nfs/dbraw/zinc/35/43/21/536354321.db2.gz AUCFXWZHKOUQNX-INIZCTEOSA-N 1 0 347.440 3.184 10 5 EGBERO Cc1cc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352881493 576111726 /nfs/dbraw/zinc/11/17/26/576111726.db2.gz DHWHPZAEFQXMHB-ZIAGYGMSSA-N 1 0 334.420 3.288 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025064 1296668187 /nfs/dbraw/zinc/66/81/87/1296668187.db2.gz HBJOVQUWTZIADD-WDEREUQCSA-N 1 0 349.328 3.269 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029423 1296677058 /nfs/dbraw/zinc/67/70/58/1296677058.db2.gz WYUVRZQEXPOWAQ-HIFRSBDPSA-N 1 0 332.375 3.236 10 5 EGBERO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062953 1296708203 /nfs/dbraw/zinc/70/82/03/1296708203.db2.gz RHKPJYKTIRDYLM-UKRRQHHQSA-N 1 0 332.375 3.378 10 5 EGBERO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872064172 1296710002 /nfs/dbraw/zinc/71/00/02/1296710002.db2.gz CVEOTOCHLAAOPU-DZGCQCFKSA-N 1 0 332.375 3.297 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000872073401 1296718278 /nfs/dbraw/zinc/71/82/78/1296718278.db2.gz QLVIDENSEMBNIK-MNOVXSKESA-N 1 0 332.429 3.248 10 5 EGBERO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129810 1296755614 /nfs/dbraw/zinc/75/56/14/1296755614.db2.gz VWWCXOMVLAPIRH-LLVKDONJSA-N 1 0 331.338 3.272 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879667702 1300663816 /nfs/dbraw/zinc/66/38/16/1300663816.db2.gz ISQDYMNTFBIBRN-ZIAGYGMSSA-N 1 0 330.306 3.460 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000879671462 1300666758 /nfs/dbraw/zinc/66/67/58/1300666758.db2.gz LSHNZCSWJSBTNM-MGPQQGTHSA-N 1 0 330.306 3.115 10 5 EGBERO COC(=O)c1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000886616124 1303525694 /nfs/dbraw/zinc/52/56/94/1303525694.db2.gz VRCXNQPPWMUFAQ-NWDGAFQWSA-N 1 0 329.356 3.188 10 5 EGBERO C/C(=C\C(=O)N(C)CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000890882142 1304904910 /nfs/dbraw/zinc/90/49/10/1304904910.db2.gz HGUHBOLHSWICHG-SDNWHVSQSA-N 1 0 333.432 3.044 10 5 EGBERO CC(C)CNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000890938547 1304925424 /nfs/dbraw/zinc/92/54/24/1304925424.db2.gz HTEMCZXDWGPNBM-AWEZNQCLSA-N 1 0 333.432 3.140 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000899554423 1317086523 /nfs/dbraw/zinc/08/65/23/1317086523.db2.gz ZRASPDKGSMHQJJ-UHFFFAOYSA-N 1 0 345.443 3.302 10 5 EGBERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514923 1328785649 /nfs/dbraw/zinc/78/56/49/1328785649.db2.gz XSSVKYCZUMSBGH-MSOLQXFVSA-N 1 0 339.395 3.105 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913280586 1318994634 /nfs/dbraw/zinc/99/46/34/1318994634.db2.gz FMESXABHKKNLDY-RTBURBONSA-N 1 0 345.443 3.132 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915677756 1319518427 /nfs/dbraw/zinc/51/84/27/1319518427.db2.gz GUVLFGUYHGYCGU-CQSZACIVSA-N 1 0 348.447 3.077 10 5 EGBERO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000917069159 1319747444 /nfs/dbraw/zinc/74/74/44/1319747444.db2.gz OHMUJZBOMAPQDB-IUCKJTJTSA-N 1 0 347.415 3.067 10 5 EGBERO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C2CCCC2)n1 ZINC000921686844 1322378340 /nfs/dbraw/zinc/37/83/40/1322378340.db2.gz PTNWUBCXOSLEKB-UHFFFAOYSA-N 1 0 328.416 3.318 10 5 EGBERO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCO1 ZINC000922817217 1322626373 /nfs/dbraw/zinc/62/63/73/1322626373.db2.gz OCKZNSJDOKRVEL-OAHLLOKOSA-N 1 0 330.331 3.245 10 5 EGBERO C[NH+](C)C1(C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000931355600 1329101185 /nfs/dbraw/zinc/10/11/85/1329101185.db2.gz UDKPWULUXCWAKV-UHFFFAOYSA-N 1 0 344.415 3.166 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000925235744 1325090461 /nfs/dbraw/zinc/09/04/61/1325090461.db2.gz IHQMVGOQPZLXKF-JJRVBVJISA-N 1 0 348.447 3.028 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000926962657 1327800936 /nfs/dbraw/zinc/80/09/36/1327800936.db2.gz KZCLPKZEAXNFJY-SMDDNHRTSA-N 1 0 333.354 3.436 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927016328 1327821933 /nfs/dbraw/zinc/82/19/33/1327821933.db2.gz KADBOLWMOUSVMZ-STQMWFEESA-N 1 0 338.379 3.113 10 5 EGBERO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927151008 1327893842 /nfs/dbraw/zinc/89/38/42/1327893842.db2.gz ADHIKXYMLGLBSP-UCLAIMLFSA-N 1 0 326.396 3.338 10 5 EGBERO [NH3+]Cc1ccc2c(c1)N(Cc1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000866668782 1330139463 /nfs/dbraw/zinc/13/94/63/1330139463.db2.gz VQFMTQSYVBQXDO-UHFFFAOYSA-N 1 0 333.775 3.106 10 5 EGBERO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)c1 ZINC000867988881 1330237073 /nfs/dbraw/zinc/23/70/73/1330237073.db2.gz WMDZWWOUJHDEOG-MRXNPFEDSA-N 1 0 341.367 3.042 10 5 EGBERO COc1cccc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000867988626 1330237198 /nfs/dbraw/zinc/23/71/98/1330237198.db2.gz QHESUSPOJSUEIS-MRXNPFEDSA-N 1 0 341.367 3.042 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000868118990 1330251514 /nfs/dbraw/zinc/25/15/14/1330251514.db2.gz GFWHYSIDXALFRS-LLVKDONJSA-N 1 0 340.811 3.148 10 5 EGBERO C[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001183837526 1387356776 /nfs/dbraw/zinc/35/67/76/1387356776.db2.gz XCVZDCGUSUPXOO-FRRDWIJNSA-N 1 0 342.399 3.343 10 5 EGBERO CC[C@H]1CCCC[N@@H+]1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185323567 1387683308 /nfs/dbraw/zinc/68/33/08/1387683308.db2.gz QRGGOCWHXOOGIQ-AWEZNQCLSA-N 1 0 346.406 3.380 10 5 EGBERO C[N@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC001186203291 1387895581 /nfs/dbraw/zinc/89/55/81/1387895581.db2.gz NVFYFXXZXUBGBO-QGZVFWFLSA-N 1 0 344.390 3.451 10 5 EGBERO CCOc1cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001194497128 1368274194 /nfs/dbraw/zinc/27/41/94/1368274194.db2.gz FMVJSHFCVVAURW-MAUKXSAKSA-N 1 0 338.448 3.372 10 5 EGBERO C[N@@H+]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001198269989 1368993865 /nfs/dbraw/zinc/99/38/65/1368993865.db2.gz HHKYGLFEJWOLMF-ABAIWWIYSA-N 1 0 344.242 3.285 10 5 EGBERO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001198354142 1369015010 /nfs/dbraw/zinc/01/50/10/1369015010.db2.gz AIWDXKDYIOSDTE-UKRRQHHQSA-N 1 0 349.431 3.187 10 5 EGBERO Cc1ccc(NCCNc2nc3ccc([N+](=O)[O-])cc3s2)nc1 ZINC001187695089 1388144914 /nfs/dbraw/zinc/14/49/14/1388144914.db2.gz SZBZXNJIUCTTDM-UHFFFAOYSA-N 1 0 329.385 3.432 10 5 EGBERO CC/C=C(/C)C(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266178139 1377218570 /nfs/dbraw/zinc/21/85/70/1377218570.db2.gz YDXCLJYAMOQEAK-CHHVJCJISA-N 1 0 345.443 3.374 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC001164380712 1383182781 /nfs/dbraw/zinc/18/27/81/1383182781.db2.gz ZOXYEYYCSJCZPE-NDMJEZRESA-N 1 0 329.322 3.366 10 5 EGBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001298190597 1383380354 /nfs/dbraw/zinc/38/03/54/1383380354.db2.gz AATRLKGAVMMAAJ-GUYCJALGSA-N 1 0 346.431 3.371 10 5 EGBERO CC[NH+](CC)CCN(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001167590360 1383682399 /nfs/dbraw/zinc/68/23/99/1383682399.db2.gz RGFUXMQCZFHLMY-UHFFFAOYSA-N 1 0 342.443 3.334 10 5 EGBERO CC(C)[C@@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001167648364 1383697874 /nfs/dbraw/zinc/69/78/74/1383697874.db2.gz UECHEDKTEPOLHJ-FQEVSTJZSA-N 1 0 340.423 3.497 10 5 EGBERO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001167765546 1383735741 /nfs/dbraw/zinc/73/57/41/1383735741.db2.gz FRWMVKGSQAOAEB-IRXDYDNUSA-N 1 0 336.432 3.499 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001168336575 1383876462 /nfs/dbraw/zinc/87/64/62/1383876462.db2.gz AOPAMFXBOSYHOD-LSDHHAIUSA-N 1 0 345.443 3.123 10 5 EGBERO C[NH+](C)C1(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CCC1 ZINC001307096423 1383939627 /nfs/dbraw/zinc/93/96/27/1383939627.db2.gz GJLDURPSJJGNKT-UHFFFAOYSA-N 1 0 334.807 3.115 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001307209467 1383957809 /nfs/dbraw/zinc/95/78/09/1383957809.db2.gz BJHXNSZJDPDPRR-BBRMVZONSA-N 1 0 337.395 3.037 10 5 EGBERO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778537 1384029557 /nfs/dbraw/zinc/02/95/57/1384029557.db2.gz GBJMMNYQIHBTKZ-QRTARXTBSA-N 1 0 334.416 3.362 10 5 EGBERO COCC1([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCCCC1 ZINC001307959701 1384064264 /nfs/dbraw/zinc/06/42/64/1384064264.db2.gz SQEHSGZBYHVQNM-UHFFFAOYSA-N 1 0 346.387 3.084 10 5 EGBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C12CCCC2 ZINC001170103745 1384236504 /nfs/dbraw/zinc/23/65/04/1384236504.db2.gz AQRGWQUASJINHN-IRXDYDNUSA-N 1 0 334.416 3.431 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC001171811167 1384645662 /nfs/dbraw/zinc/64/56/62/1384645662.db2.gz VRTCHBMUYBOLQW-GVDBMIGSSA-N 1 0 346.427 3.457 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCC1 ZINC001329279931 1389047414 /nfs/dbraw/zinc/04/74/14/1389047414.db2.gz JGHRKGBPJGQFLS-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1 ZINC001329581096 1389165945 /nfs/dbraw/zinc/16/59/45/1389165945.db2.gz CUGRHCIGQGMMJI-ZIAGYGMSSA-N 1 0 338.429 3.097 10 5 EGBERO CC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347598552 1391097960 /nfs/dbraw/zinc/09/79/60/1391097960.db2.gz WTDFAJFDVOMUMZ-JKSUJKDBSA-N 1 0 345.443 3.077 10 5 EGBERO CCC1(C(=O)N(C)CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484757166 1395509548 /nfs/dbraw/zinc/50/95/48/1395509548.db2.gz KOVPTDVICVKBRK-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CCCC1(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001493663412 1396340976 /nfs/dbraw/zinc/34/09/76/1396340976.db2.gz KQUXZCHQFGXIHR-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(F)CCCCC1 ZINC001497720978 1396799281 /nfs/dbraw/zinc/79/92/81/1396799281.db2.gz YOIRONWEGQMCKQ-SNAWJCMRSA-N 1 0 349.406 3.029 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001690276649 1404441773 /nfs/dbraw/zinc/44/17/73/1404441773.db2.gz LLEHLUGXLAZXHF-SHTZXODSSA-N 1 0 333.432 3.158 10 5 EGBERO CCCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001690355193 1404490302 /nfs/dbraw/zinc/49/03/02/1404490302.db2.gz PYKXRZGEPWWCCP-GASCZTMLSA-N 1 0 333.432 3.158 10 5 EGBERO C/C=C(/C)C(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001732294673 1428517464 /nfs/dbraw/zinc/51/74/64/1428517464.db2.gz HOJMPPSFCJUCBB-CQPUUCJISA-N 1 0 345.443 3.279 10 5 EGBERO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ccco1 ZINC001715084391 1419822633 /nfs/dbraw/zinc/82/26/33/1419822633.db2.gz OGTHBRKXLQPIPN-UHFFFAOYSA-N 1 0 349.412 3.082 10 5 EGBERO O=C(CCC1CC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715294349 1420001684 /nfs/dbraw/zinc/00/16/84/1420001684.db2.gz FGVDVJCICSJFMM-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001716531086 1420752981 /nfs/dbraw/zinc/75/29/81/1420752981.db2.gz UBRXUCYGVMXHPF-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CC(C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001716540996 1420754861 /nfs/dbraw/zinc/75/48/61/1420754861.db2.gz OYZGMJFWDSIKHQ-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C1CCC1 ZINC001716558168 1420760140 /nfs/dbraw/zinc/76/01/40/1420760140.db2.gz OUBFKMNDLFKAML-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175197144 231403128 /nfs/dbraw/zinc/40/31/28/231403128.db2.gz QXNQXVAZUOQENM-UHFFFAOYSA-N 1 0 339.395 3.372 10 5 EGBERO CN(c1ccc(Br)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747285 213381312 /nfs/dbraw/zinc/38/13/12/213381312.db2.gz ZMTMMIMHQGKUBM-FOSCPWQOSA-N 1 0 340.221 3.077 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246126858 243197531 /nfs/dbraw/zinc/19/75/31/243197531.db2.gz ZDAAGFIGMSBXJZ-DZGCQCFKSA-N 1 0 348.447 3.406 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377602873 169046456 /nfs/dbraw/zinc/04/64/56/169046456.db2.gz FCCUGEMRDFQAEL-CQSZACIVSA-N 1 0 347.415 3.054 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)n1 ZINC000408171319 169162364 /nfs/dbraw/zinc/16/23/64/169162364.db2.gz HWLDTYRQKULUDV-JYJNAYRXSA-N 1 0 332.448 3.448 10 5 EGBERO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000153691595 224142305 /nfs/dbraw/zinc/14/23/05/224142305.db2.gz FADICYDIHMGNNQ-GOOCMWNKSA-N 1 0 332.404 3.040 10 5 EGBERO C[NH+](C)Cc1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000153781040 224157073 /nfs/dbraw/zinc/15/70/73/224157073.db2.gz JPNVEAXAXBUWQZ-UHFFFAOYSA-N 1 0 338.770 3.456 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120046293 152247200 /nfs/dbraw/zinc/24/72/00/152247200.db2.gz VLHRWBYXKOQXDT-AWEZNQCLSA-N 1 0 327.384 3.444 10 5 EGBERO COc1cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000305787003 154120981 /nfs/dbraw/zinc/12/09/81/154120981.db2.gz AATFXIQJILMFCT-QGZVFWFLSA-N 1 0 342.395 3.085 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000336875971 154226895 /nfs/dbraw/zinc/22/68/95/154226895.db2.gz OHAAPCKIEKYWBK-HZPDHXFCSA-N 1 0 328.368 3.476 10 5 EGBERO CCc1nnc(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000362089560 157018099 /nfs/dbraw/zinc/01/80/99/157018099.db2.gz JBZQOZPTCPWHNH-LBPRGKRZSA-N 1 0 329.404 3.216 10 5 EGBERO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000125547806 162277156 /nfs/dbraw/zinc/27/71/56/162277156.db2.gz HOVLIUMCVLZBOC-ZDUSSCGKSA-N 1 0 330.384 3.372 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000249151662 163058927 /nfs/dbraw/zinc/05/89/27/163058927.db2.gz XRMXZJSJLNVWQN-STQMWFEESA-N 1 0 349.456 3.016 10 5 EGBERO Cc1cc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000354401773 166014112 /nfs/dbraw/zinc/01/41/12/166014112.db2.gz MEFMMIFEYBDCAZ-MRXNPFEDSA-N 1 0 326.400 3.009 10 5 EGBERO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344079403 164098783 /nfs/dbraw/zinc/09/87/83/164098783.db2.gz YFESRDFAOHXVRZ-AWEZNQCLSA-N 1 0 347.415 3.220 10 5 EGBERO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCCC2)cn1 ZINC000344412131 164173071 /nfs/dbraw/zinc/17/30/71/164173071.db2.gz DPKGFLMKWBNIJN-UHFFFAOYSA-N 1 0 336.461 3.153 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000352094365 165232505 /nfs/dbraw/zinc/23/25/05/165232505.db2.gz ZNEWZOCXXRFYSH-MSOLQXFVSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359567086 167196277 /nfs/dbraw/zinc/19/62/77/167196277.db2.gz WKNWDJVETLCTDM-HBUWYVDXSA-N 1 0 331.416 3.434 10 5 EGBERO COc1cc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000122447965 222089252 /nfs/dbraw/zinc/08/92/52/222089252.db2.gz RCDVNWXDEZKJFM-UHFFFAOYSA-N 1 0 325.384 3.417 10 5 EGBERO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccsc1 ZINC000124121022 222379353 /nfs/dbraw/zinc/37/93/53/222379353.db2.gz KUIIHINCBPTNMR-AWEZNQCLSA-N 1 0 326.805 3.307 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCCc3ccccc31)OCO2 ZINC000058138683 275033949 /nfs/dbraw/zinc/03/39/49/275033949.db2.gz LSPRGPYXTDEOET-OAHLLOKOSA-N 1 0 326.352 3.491 10 5 EGBERO CC1(C)CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000189733814 275220309 /nfs/dbraw/zinc/22/03/09/275220309.db2.gz ZUDFWGITYCWXOG-LBPRGKRZSA-N 1 0 330.331 3.243 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180934037 276588974 /nfs/dbraw/zinc/58/89/74/276588974.db2.gz YSUQGQZSBQWYKF-WBVHZDCISA-N 1 0 341.415 3.095 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000362759851 277138451 /nfs/dbraw/zinc/13/84/51/277138451.db2.gz RGQAJKWOVTVZPX-MSOLQXFVSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294049672 308185896 /nfs/dbraw/zinc/18/58/96/308185896.db2.gz GNWWRNGZFPBJHX-VIFPVBQESA-N 1 0 338.314 3.024 10 5 EGBERO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414773776 309100134 /nfs/dbraw/zinc/10/01/34/309100134.db2.gz SUYHIYOBGPFKIX-LRDDRELGSA-N 1 0 345.374 3.448 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000415700166 309141329 /nfs/dbraw/zinc/14/13/29/309141329.db2.gz LOETWMRHDHJPQM-WFASDCNBSA-N 1 0 346.431 3.108 10 5 EGBERO Cc1c(Cl)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000421361609 309320475 /nfs/dbraw/zinc/32/04/75/309320475.db2.gz HHZBXNMJDQZMQH-UHFFFAOYSA-N 1 0 336.823 3.403 10 5 EGBERO CC[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421378494 309321677 /nfs/dbraw/zinc/32/16/77/309321677.db2.gz IGBPFCJUEISZPM-WBVHZDCISA-N 1 0 344.415 3.043 10 5 EGBERO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c[nH+]ccc1N ZINC000423085062 309385145 /nfs/dbraw/zinc/38/51/45/309385145.db2.gz JEJYDYHSZLLATE-VIFPVBQESA-N 1 0 340.305 3.272 10 5 EGBERO O=[N+]([O-])c1cccc2c(N3CCC(C[NH+]4CCCC4)CC3)ccnc21 ZINC000432325884 309657479 /nfs/dbraw/zinc/65/74/79/309657479.db2.gz NIMYIYNLBYIBOB-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433082990 309678178 /nfs/dbraw/zinc/67/81/78/309678178.db2.gz NEYAQMIDKZOWIE-ITDKRANNSA-N 1 0 347.415 3.099 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC1CCOCC1 ZINC000449354590 310056162 /nfs/dbraw/zinc/05/61/62/310056162.db2.gz PIARLONAAUMFOO-CQSZACIVSA-N 1 0 349.431 3.108 10 5 EGBERO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450388460 310119750 /nfs/dbraw/zinc/11/97/50/310119750.db2.gz IDJZMBFNFMGATD-ZDUSSCGKSA-N 1 0 327.388 3.022 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376939 310175149 /nfs/dbraw/zinc/17/51/49/310175149.db2.gz WNHLRYMMMLMJAE-ZIUCBDDQSA-N 1 0 341.411 3.066 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000452088185 310211395 /nfs/dbraw/zinc/21/13/95/310211395.db2.gz OMWUVDLQHDFVJM-ZDUSSCGKSA-N 1 0 343.383 3.201 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474030001 310783811 /nfs/dbraw/zinc/78/38/11/310783811.db2.gz GUZVSDGXTSACOA-BZUAXINKSA-N 1 0 334.416 3.288 10 5 EGBERO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488072770 311050250 /nfs/dbraw/zinc/05/02/50/311050250.db2.gz VRQSJXVHLQXBCU-AWEZNQCLSA-N 1 0 328.416 3.454 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000531955544 313735941 /nfs/dbraw/zinc/73/59/41/313735941.db2.gz WSZAZFWMSMSHNY-HUUCEWRRSA-N 1 0 341.415 3.013 10 5 EGBERO CC(C)c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000540613971 314392434 /nfs/dbraw/zinc/39/24/34/314392434.db2.gz UDNJKHKKHGABGG-UHFFFAOYSA-N 1 0 340.423 3.338 10 5 EGBERO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(C)c1 ZINC000565797872 316370990 /nfs/dbraw/zinc/37/09/90/316370990.db2.gz CNVOOKPSIZXTKV-INIZCTEOSA-N 1 0 327.388 3.093 10 5 EGBERO CC(C)c1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000572129906 317295986 /nfs/dbraw/zinc/29/59/86/317295986.db2.gz AMCKWFXPIIZARQ-UHFFFAOYSA-N 1 0 331.416 3.062 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000181359704 455323446 /nfs/dbraw/zinc/32/34/46/455323446.db2.gz FSIDHHDIIHQTTJ-ZDUSSCGKSA-N 1 0 345.374 3.356 10 5 EGBERO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000600772904 460597584 /nfs/dbraw/zinc/59/75/84/460597584.db2.gz LBXHTBMJOICULM-WMLDXEAASA-N 1 0 340.427 3.203 10 5 EGBERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000600775222 460598116 /nfs/dbraw/zinc/59/81/16/460598116.db2.gz SQRNJJVJEIZNAT-KDURUIRLSA-N 1 0 341.411 3.286 10 5 EGBERO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000028166386 453822382 /nfs/dbraw/zinc/82/23/82/453822382.db2.gz RVQNHHPWNKZQGC-UHFFFAOYSA-N 1 0 339.395 3.372 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[N@@H+]4CCC[C@H]4C3)o2)cc1 ZINC000245779221 455379111 /nfs/dbraw/zinc/37/91/11/455379111.db2.gz TZYRLWGVSYIRCT-INIZCTEOSA-N 1 0 327.384 3.135 10 5 EGBERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032793596 453891424 /nfs/dbraw/zinc/89/14/24/453891424.db2.gz CRUVNULQEJXSEV-CHWSQXEVSA-N 1 0 343.383 3.281 10 5 EGBERO Cc1c(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000043347678 454057931 /nfs/dbraw/zinc/05/79/31/454057931.db2.gz KNEIFMMSRWWSSR-INIZCTEOSA-N 1 0 342.399 3.328 10 5 EGBERO CCCN(CC[NH+](CC)CC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130243733 454183229 /nfs/dbraw/zinc/18/32/29/454183229.db2.gz FSVYPVWWORBYJB-UHFFFAOYSA-N 1 0 346.431 3.270 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000089732412 454186057 /nfs/dbraw/zinc/18/60/57/454186057.db2.gz ZGYLEIPBOJHYOR-CABCVRRESA-N 1 0 341.415 3.013 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120177637 454269002 /nfs/dbraw/zinc/26/90/02/454269002.db2.gz RQNPHDTVMSTWOU-AWEZNQCLSA-N 1 0 334.420 3.160 10 5 EGBERO CC[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090560002 454321316 /nfs/dbraw/zinc/32/13/16/454321316.db2.gz HJSQYHRYOITFML-KRWDZBQOSA-N 1 0 348.447 3.077 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032480 454390713 /nfs/dbraw/zinc/39/07/13/454390713.db2.gz QEECMYGGKZDQKJ-UKRRQHHQSA-N 1 0 344.415 3.164 10 5 EGBERO Cn1nccc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102421726 454504364 /nfs/dbraw/zinc/50/43/64/454504364.db2.gz DYTLEHMLSGTXNJ-UHFFFAOYSA-N 1 0 328.397 3.347 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000080651555 454613142 /nfs/dbraw/zinc/61/31/42/454613142.db2.gz CMSHWJSVOIDEQR-GFCCVEGCSA-N 1 0 325.384 3.053 10 5 EGBERO Cc1sc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000065746638 454618780 /nfs/dbraw/zinc/61/87/80/454618780.db2.gz JLAWASYFXQJNLE-UHFFFAOYSA-N 1 0 339.461 3.301 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000123821993 454678884 /nfs/dbraw/zinc/67/88/84/454678884.db2.gz VGMFKWDJSKIFSQ-MRXNPFEDSA-N 1 0 343.383 3.063 10 5 EGBERO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC000153105994 454761085 /nfs/dbraw/zinc/76/10/85/454761085.db2.gz VBMNZJADLKTRPY-UHFFFAOYSA-N 1 0 343.358 3.121 10 5 EGBERO CC(C)c1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000162606015 454787732 /nfs/dbraw/zinc/78/77/32/454787732.db2.gz RVXKCCUYXLCGLK-UHFFFAOYSA-N 1 0 333.432 3.018 10 5 EGBERO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000153517228 454801955 /nfs/dbraw/zinc/80/19/55/454801955.db2.gz NSDMGTWRHPTONU-LLVKDONJSA-N 1 0 326.809 3.420 10 5 EGBERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166594202 454913814 /nfs/dbraw/zinc/91/38/14/454913814.db2.gz UYPVFJSTCOHEFK-YJBOKZPZSA-N 1 0 343.431 3.038 10 5 EGBERO O=C(NCCC[NH+]1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600962556 460659898 /nfs/dbraw/zinc/65/98/98/460659898.db2.gz GKBKVUSAHIEAIQ-UHFFFAOYSA-N 1 0 345.443 3.009 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000182815419 455170746 /nfs/dbraw/zinc/17/07/46/455170746.db2.gz JEKLYDDWVRFDSC-SJLPKXTDSA-N 1 0 347.459 3.151 10 5 EGBERO Cc1cc(C)n2c(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cnc2n1 ZINC000157461590 455197353 /nfs/dbraw/zinc/19/73/53/455197353.db2.gz RKKKIEKKBUMVIZ-UHFFFAOYSA-N 1 0 339.399 3.279 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000157649993 455217224 /nfs/dbraw/zinc/21/72/24/455217224.db2.gz SVFNKBOJKKAFKD-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO COc1ccc(OCCN2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000173452566 455285875 /nfs/dbraw/zinc/28/58/75/455285875.db2.gz DVUDUKHPLIOWNO-LLVKDONJSA-N 1 0 348.321 3.257 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183396211 455286870 /nfs/dbraw/zinc/28/68/70/455286870.db2.gz TUAWEPYQRPVTJD-VQIMIIECSA-N 1 0 329.444 3.352 10 5 EGBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2cccnc2)cc1 ZINC000181275868 455311311 /nfs/dbraw/zinc/31/13/11/455311311.db2.gz IUKCQRVJQWUDNW-AWEZNQCLSA-N 1 0 337.383 3.204 10 5 EGBERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245667852 455351551 /nfs/dbraw/zinc/35/15/51/455351551.db2.gz RKKSIBLTKGNKSF-DLBZAZTESA-N 1 0 340.383 3.162 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191356851 455479721 /nfs/dbraw/zinc/47/97/21/455479721.db2.gz OXSCCWVLSPCCTG-AWEZNQCLSA-N 1 0 334.420 3.160 10 5 EGBERO COc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000292364799 455642432 /nfs/dbraw/zinc/64/24/32/455642432.db2.gz ROWZXQAFXOZHQK-GFCCVEGCSA-N 1 0 337.395 3.053 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192675458 455667458 /nfs/dbraw/zinc/66/74/58/455667458.db2.gz UYSPMLYQEBVRCM-MNOVXSKESA-N 1 0 349.412 3.343 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520709 455978653 /nfs/dbraw/zinc/97/86/53/455978653.db2.gz LLIKLLWBCCWDDZ-HIFRSBDPSA-N 1 0 341.415 3.073 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601103635 460710440 /nfs/dbraw/zinc/71/04/40/460710440.db2.gz FFKMQCCKSWUISB-UHFFFAOYSA-N 1 0 336.411 3.221 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000601103483 460710951 /nfs/dbraw/zinc/71/09/51/460710951.db2.gz AMDPVVLYDXMFQV-UHFFFAOYSA-N 1 0 344.390 3.248 10 5 EGBERO COc1cc(NC[C@H]2CCC[N@@H+]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000301771663 456210585 /nfs/dbraw/zinc/21/05/85/456210585.db2.gz LFRNXNVFIBLJHQ-GFCCVEGCSA-N 1 0 325.384 3.275 10 5 EGBERO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601132648 460725013 /nfs/dbraw/zinc/72/50/13/460725013.db2.gz LUFRYGQQXOADDM-LBPRGKRZSA-N 1 0 345.378 3.161 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000302190866 456313187 /nfs/dbraw/zinc/31/31/87/456313187.db2.gz VNYBOLVSQFGKAZ-CGTJXYLNSA-N 1 0 338.411 3.312 10 5 EGBERO C[C@]1(CNc2ncccc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000302414885 456340968 /nfs/dbraw/zinc/34/09/68/456340968.db2.gz LZTTYQMHYRXGKO-GOSISDBHSA-N 1 0 326.400 3.456 10 5 EGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCSc1ccc(F)cc1)CC2 ZINC000347801367 456375452 /nfs/dbraw/zinc/37/54/52/456375452.db2.gz DIADYKRZPREBQJ-UHFFFAOYSA-N 1 0 333.388 3.279 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348181147 456519635 /nfs/dbraw/zinc/51/96/35/456519635.db2.gz OVQXCHJXUHVGSN-QGZVFWFLSA-N 1 0 333.432 3.051 10 5 EGBERO CC1(C)C[C@H]([NH2+]C[C@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000348204241 456534759 /nfs/dbraw/zinc/53/47/59/456534759.db2.gz FZEQHTIWPKAQSB-KDOFPFPSSA-N 1 0 341.411 3.078 10 5 EGBERO C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282591013 456562823 /nfs/dbraw/zinc/56/28/23/456562823.db2.gz WYFAYBWETDLOCQ-NXEZZACHSA-N 1 0 343.221 3.091 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000343367984 456565027 /nfs/dbraw/zinc/56/50/27/456565027.db2.gz DXDMMWAZVVUAIU-UHFFFAOYSA-N 1 0 347.459 3.109 10 5 EGBERO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000348302482 456606281 /nfs/dbraw/zinc/60/62/81/456606281.db2.gz ATLNYZGVGUHGSU-GFCCVEGCSA-N 1 0 333.388 3.061 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000326716495 456697961 /nfs/dbraw/zinc/69/79/61/456697961.db2.gz PRZIOZUDFJIFLD-GVDBMIGSSA-N 1 0 334.416 3.119 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000348514045 456725711 /nfs/dbraw/zinc/72/57/11/456725711.db2.gz ZHTPPQDQCCUBTC-UGSOOPFHSA-N 1 0 336.432 3.270 10 5 EGBERO CCc1cc(NC[C@H]2CCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301073649 456789504 /nfs/dbraw/zinc/78/95/04/456789504.db2.gz AXSDBQCZJMITJC-MRXNPFEDSA-N 1 0 341.415 3.120 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000348835710 456877519 /nfs/dbraw/zinc/87/75/19/456877519.db2.gz AXTPBYUROGXNJI-MWLCHTKSSA-N 1 0 330.331 3.135 10 5 EGBERO Cc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000345030615 456902895 /nfs/dbraw/zinc/90/28/95/456902895.db2.gz SEHOZVHOTZSGFK-OAHLLOKOSA-N 1 0 328.368 3.223 10 5 EGBERO CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339046462 456914653 /nfs/dbraw/zinc/91/46/53/456914653.db2.gz AARXRVSRYMSKGN-KRWDZBQOSA-N 1 0 341.411 3.007 10 5 EGBERO COc1cc(C[NH2+]CC[C@H](C)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000354200327 457125766 /nfs/dbraw/zinc/12/57/66/457125766.db2.gz NCIQOXJSYOZMOM-VIFPVBQESA-N 1 0 336.310 3.085 10 5 EGBERO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000360049270 457225411 /nfs/dbraw/zinc/22/54/11/457225411.db2.gz CJJRXCXQKCFPAQ-CVEARBPZSA-N 1 0 339.436 3.058 10 5 EGBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000363171447 457245647 /nfs/dbraw/zinc/24/56/47/457245647.db2.gz YFBAYTBVLVYMTJ-HNNXBMFYSA-N 1 0 326.400 3.091 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000361066123 457559872 /nfs/dbraw/zinc/55/98/72/457559872.db2.gz NOVKMDVZCQECSE-KRWDZBQOSA-N 1 0 346.383 3.209 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000361084784 457572416 /nfs/dbraw/zinc/57/24/16/457572416.db2.gz REJPJLLPKZCLFZ-IBGZPJMESA-N 1 0 341.411 3.082 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000361863136 457914840 /nfs/dbraw/zinc/91/48/40/457914840.db2.gz TYMOEPROOAYTCF-INIZCTEOSA-N 1 0 328.372 3.059 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1C ZINC000358398287 457978296 /nfs/dbraw/zinc/97/82/96/457978296.db2.gz MGTZHCXGIZGZIC-ZDUSSCGKSA-N 1 0 335.404 3.197 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000427846368 458044498 /nfs/dbraw/zinc/04/44/98/458044498.db2.gz HHEHIONLENDLRV-YLJYHZDGSA-N 1 0 348.406 3.485 10 5 EGBERO Cc1csc(C2([NH2+]CCOc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000358793606 458221195 /nfs/dbraw/zinc/22/11/95/458221195.db2.gz WDBAGKREIYANMA-UHFFFAOYSA-N 1 0 333.413 3.408 10 5 EGBERO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000446881787 458240267 /nfs/dbraw/zinc/24/02/67/458240267.db2.gz VNBDTJWFMTUCGN-SFHVURJKSA-N 1 0 334.416 3.314 10 5 EGBERO CC[NH+](CC)CCSc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000429212558 458291536 /nfs/dbraw/zinc/29/15/36/458291536.db2.gz HZGJCXIDOAYRNU-UHFFFAOYSA-N 1 0 326.418 3.124 10 5 EGBERO C[C@H](Cc1ccccc1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376652733 458361220 /nfs/dbraw/zinc/36/12/20/458361220.db2.gz RHEUYEUVICYZED-OAHLLOKOSA-N 1 0 328.416 3.307 10 5 EGBERO O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000447958890 458371429 /nfs/dbraw/zinc/37/14/29/458371429.db2.gz LCRMWEWNGGBQMZ-UTCJRWHESA-N 1 0 333.307 3.463 10 5 EGBERO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000441015753 458876686 /nfs/dbraw/zinc/87/66/86/458876686.db2.gz KZPVABCDEHLFTK-LIRRHRJNSA-N 1 0 326.396 3.461 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000475160920 458926927 /nfs/dbraw/zinc/92/69/27/458926927.db2.gz ZSZJMAMFHPOJSK-PMPSAXMXSA-N 1 0 336.432 3.139 10 5 EGBERO COC(=O)c1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)o1 ZINC000531764829 458975137 /nfs/dbraw/zinc/97/51/37/458975137.db2.gz YSFCBDKOTQAELC-UHFFFAOYSA-N 1 0 344.367 3.447 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C(F)(F)F)CC1 ZINC000556921550 459032068 /nfs/dbraw/zinc/03/20/68/459032068.db2.gz ZEVNVPLIAQETGB-SNVBAGLBSA-N 1 0 345.321 3.244 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000594506845 459066703 /nfs/dbraw/zinc/06/67/03/459066703.db2.gz FNLUJZMMIOXCBR-AZUAARDMSA-N 1 0 338.407 3.048 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602819 459160291 /nfs/dbraw/zinc/16/02/91/459160291.db2.gz YFJWXBDFCCLEEM-OAHLLOKOSA-N 1 0 327.384 3.248 10 5 EGBERO Cc1ncsc1-c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000594931617 459181264 /nfs/dbraw/zinc/18/12/64/459181264.db2.gz QEIPNZJNZNSXGL-UHFFFAOYSA-N 1 0 343.412 3.013 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000595027169 459221022 /nfs/dbraw/zinc/22/10/22/459221022.db2.gz PMODDBHNMNTKBW-LBPRGKRZSA-N 1 0 346.431 3.237 10 5 EGBERO CC1(C)C[C@H]([NH2+]CCO[C@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000595070816 459236297 /nfs/dbraw/zinc/23/62/97/459236297.db2.gz YXZYRLXWNPUQKH-KBPBESRZSA-N 1 0 326.343 3.331 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000595074858 459238843 /nfs/dbraw/zinc/23/88/43/459238843.db2.gz WKXGMGSVEWKNCK-CXAGYDPISA-N 1 0 339.395 3.142 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093169 459243323 /nfs/dbraw/zinc/24/33/23/459243323.db2.gz GDIMKEPTCCBWDP-ZDUSSCGKSA-N 1 0 342.386 3.446 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226671 459258439 /nfs/dbraw/zinc/25/84/39/459258439.db2.gz YELIXTDREXZRFE-RDJZCZTQSA-N 1 0 345.443 3.206 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709161 459408661 /nfs/dbraw/zinc/40/86/61/459408661.db2.gz WCUGVZLJSQZPDD-SCLBCKFNSA-N 1 0 339.395 3.160 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000595786238 459439806 /nfs/dbraw/zinc/43/98/06/459439806.db2.gz HAQRUAUTVDWFES-NVXWUHKLSA-N 1 0 334.416 3.385 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595852199 459464804 /nfs/dbraw/zinc/46/48/04/459464804.db2.gz YWVRIQQDHUGMGG-GJZGRUSLSA-N 1 0 333.432 3.201 10 5 EGBERO COc1ccc(NC(=O)C[N@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595872510 459470183 /nfs/dbraw/zinc/47/01/83/459470183.db2.gz ZVNXMFAHHYGFIW-UHFFFAOYSA-N 1 0 347.415 3.054 10 5 EGBERO COCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000595908302 459483291 /nfs/dbraw/zinc/48/32/91/459483291.db2.gz GYJWSHCLDBPDGO-UHFFFAOYSA-N 1 0 349.431 3.171 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1(O)CCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132491 459531856 /nfs/dbraw/zinc/53/18/56/459531856.db2.gz HIGAUHYIIFKWDT-QAQDUYKDSA-N 1 0 348.443 3.005 10 5 EGBERO COc1ccccc1C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592142747 459534731 /nfs/dbraw/zinc/53/47/31/459534731.db2.gz CIRLBQQPZRXKCX-UHFFFAOYSA-N 1 0 328.368 3.261 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592184441 459544799 /nfs/dbraw/zinc/54/47/99/459544799.db2.gz QFJCKHWQXQUGDV-UHFFFAOYSA-N 1 0 347.802 3.079 10 5 EGBERO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596231516 459568000 /nfs/dbraw/zinc/56/80/00/459568000.db2.gz KGXWVFDCCYODFH-NEPJUHHUSA-N 1 0 339.823 3.320 10 5 EGBERO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392392 459588670 /nfs/dbraw/zinc/58/86/70/459588670.db2.gz QMEUITKUARRHET-NHYWBVRUSA-N 1 0 338.358 3.299 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000542970543 459615754 /nfs/dbraw/zinc/61/57/54/459615754.db2.gz FDIFADDLAOLJML-AWEZNQCLSA-N 1 0 349.431 3.161 10 5 EGBERO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131189 459625910 /nfs/dbraw/zinc/62/59/10/459625910.db2.gz FGJNHHPPXDEVEB-LSDHHAIUSA-N 1 0 336.432 3.235 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000584101017 459655027 /nfs/dbraw/zinc/65/50/27/459655027.db2.gz FMRFNZLFDIHRQT-UHFFFAOYSA-N 1 0 346.431 3.209 10 5 EGBERO CCC[N@H+](C)CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596544100 459671380 /nfs/dbraw/zinc/67/13/80/459671380.db2.gz XVSGNGIDZHYRJW-UHFFFAOYSA-N 1 0 334.420 3.012 10 5 EGBERO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602472763 459954672 /nfs/dbraw/zinc/95/46/72/459954672.db2.gz BPZDFZLTLXXSHQ-GFCCVEGCSA-N 1 0 346.305 3.141 10 5 EGBERO CCOc1cncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000598643332 459975214 /nfs/dbraw/zinc/97/52/14/459975214.db2.gz AJZLPERFPZCKRN-UHFFFAOYSA-N 1 0 340.383 3.202 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1C[NH2+]C ZINC000593759633 459976413 /nfs/dbraw/zinc/97/64/13/459976413.db2.gz DVXITJSMDVPKHO-UHFFFAOYSA-N 1 0 342.399 3.198 10 5 EGBERO C[C@@H](CC1CCOCC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959624 460011727 /nfs/dbraw/zinc/01/17/27/460011727.db2.gz JEPYOGBOKXTNAD-ZDUSSCGKSA-N 1 0 331.416 3.413 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(=NC3CC[NH+](C4CCCCC4)CC3)[nH]c2c1 ZINC000576071186 460062006 /nfs/dbraw/zinc/06/20/06/460062006.db2.gz UCGUJBAYENEGIE-UHFFFAOYSA-N 1 0 343.431 3.102 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000598889081 460085613 /nfs/dbraw/zinc/08/56/13/460085613.db2.gz SRPZLMCDBINUJI-UHFFFAOYSA-N 1 0 339.461 3.167 10 5 EGBERO CCCC(=O)NC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599018941 460128561 /nfs/dbraw/zinc/12/85/61/460128561.db2.gz GWQLYNDRKJTCIF-UHFFFAOYSA-N 1 0 342.399 3.028 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075063 460152293 /nfs/dbraw/zinc/15/22/93/460152293.db2.gz RVMUCNZWSGYBGO-SCLBCKFNSA-N 1 0 339.395 3.381 10 5 EGBERO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000599097700 460160860 /nfs/dbraw/zinc/16/08/60/460160860.db2.gz LOYZOLCCXQTOGT-UHFFFAOYSA-N 1 0 343.811 3.225 10 5 EGBERO Cc1nc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000610755206 460231895 /nfs/dbraw/zinc/23/18/95/460231895.db2.gz PSJPNOJKGWAIPW-OAHLLOKOSA-N 1 0 340.427 3.399 10 5 EGBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000599672515 460305731 /nfs/dbraw/zinc/30/57/31/460305731.db2.gz IELZKFNCPUJOGI-CQSZACIVSA-N 1 0 331.416 3.496 10 5 EGBERO COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000599697513 460315077 /nfs/dbraw/zinc/31/50/77/460315077.db2.gz RJECJTAOCOPHHJ-PTEHBNRSSA-N 1 0 340.807 3.410 10 5 EGBERO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600227397 460450587 /nfs/dbraw/zinc/45/05/87/460450587.db2.gz BDIZQUHCJJRYDF-INIZCTEOSA-N 1 0 331.416 3.040 10 5 EGBERO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231005 460452446 /nfs/dbraw/zinc/45/24/46/460452446.db2.gz XZSRHVGULRYDLY-RDTXWAMCSA-N 1 0 345.443 3.222 10 5 EGBERO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)O1 ZINC000601150439 460734031 /nfs/dbraw/zinc/73/40/31/460734031.db2.gz ZZKJDXHFOCXNKF-JRPNMDOOSA-N 1 0 333.413 3.374 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000601745796 460888411 /nfs/dbraw/zinc/88/84/11/460888411.db2.gz XWOXNCLVSPUOLP-UHFFFAOYSA-N 1 0 345.443 3.004 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000173771375 534319070 /nfs/dbraw/zinc/31/90/70/534319070.db2.gz WBNVPLJRRWQVHB-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426794058 518203276 /nfs/dbraw/zinc/20/32/76/518203276.db2.gz QFVMUZBYTMRMTR-KBPBESRZSA-N 1 0 345.399 3.015 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730788331 575020277 /nfs/dbraw/zinc/02/02/77/575020277.db2.gz ZIUYSTZHTBVNJT-RYUDHWBXSA-N 1 0 339.823 3.241 10 5 EGBERO CC[S@](=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000733899970 575407569 /nfs/dbraw/zinc/40/75/69/575407569.db2.gz GUZNYKKCLUMHSP-QFIPXVFZSA-N 1 0 338.454 3.182 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870572791 1295949604 /nfs/dbraw/zinc/94/96/04/1295949604.db2.gz BNFYRNQGLSJWOR-CCEZHUSRSA-N 1 0 345.443 3.331 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000870993381 1296170335 /nfs/dbraw/zinc/17/03/35/1296170335.db2.gz YJAFXQIYGSJJSL-IBGZPJMESA-N 1 0 347.459 3.096 10 5 EGBERO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029157 1296675886 /nfs/dbraw/zinc/67/58/86/1296675886.db2.gz VYXDWHOMRBFPQV-CYBMUJFWSA-N 1 0 329.375 3.400 10 5 EGBERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872041711 1296692097 /nfs/dbraw/zinc/69/20/97/1296692097.db2.gz KIFFANMMJFYSNL-YWAJDOERSA-N 1 0 342.436 3.464 10 5 EGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053520 1296702882 /nfs/dbraw/zinc/70/28/82/1296702882.db2.gz KXEYOHVOXMOXFP-GFCCVEGCSA-N 1 0 334.395 3.368 10 5 EGBERO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H](O)C(F)F ZINC000872075901 1296720818 /nfs/dbraw/zinc/72/08/18/1296720818.db2.gz VMPBESURXVSDBP-WLTAIBSBSA-N 1 0 334.388 3.372 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000872084861 1296725231 /nfs/dbraw/zinc/72/52/31/1296725231.db2.gz IXCXLDCDUDCMCA-ZANVPECISA-N 1 0 332.372 3.392 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088466 1296726729 /nfs/dbraw/zinc/72/67/29/1296726729.db2.gz RFTKWRSSWXEZIX-MNOVXSKESA-N 1 0 331.338 3.114 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088468 1296727778 /nfs/dbraw/zinc/72/77/78/1296727778.db2.gz RFTKWRSSWXEZIX-QWRGUYRKSA-N 1 0 331.338 3.114 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000882680803 1302055835 /nfs/dbraw/zinc/05/58/35/1302055835.db2.gz FHDROVATCJKXCO-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO COC(=O)c1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]c1C(C)C ZINC000895458556 1309348251 /nfs/dbraw/zinc/34/82/51/1309348251.db2.gz PVWAITHIHSQQQT-UHFFFAOYSA-N 1 0 345.399 3.431 10 5 EGBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1ccns1 ZINC000895528039 1309384404 /nfs/dbraw/zinc/38/44/04/1309384404.db2.gz SCJUMMWOECTHKM-UHFFFAOYSA-N 1 0 331.319 3.402 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCC4(CCC4)CO3)nc2c1 ZINC000895807378 1309529753 /nfs/dbraw/zinc/52/97/53/1309529753.db2.gz SQABOJZAJBRDJO-ZDUSSCGKSA-N 1 0 331.372 3.175 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836918 1309546554 /nfs/dbraw/zinc/54/65/54/1309546554.db2.gz QADNJTKNRPCHBG-XCHKQJEOSA-N 1 0 344.333 3.245 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464391 1328768427 /nfs/dbraw/zinc/76/84/27/1328768427.db2.gz LUBCFQUHJISDMT-CZUORRHYSA-N 1 0 332.448 3.235 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000858473917 1328772046 /nfs/dbraw/zinc/77/20/46/1328772046.db2.gz TUKHYPWPXPXKMN-RRQGHBQHSA-N 1 0 344.411 3.157 10 5 EGBERO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859222743 1328949682 /nfs/dbraw/zinc/94/96/82/1328949682.db2.gz SDVRFWGWCGZBKP-UHFFFAOYSA-N 1 0 343.427 3.408 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859274560 1328959500 /nfs/dbraw/zinc/95/95/00/1328959500.db2.gz UDKUYKFJNORVIY-TXEJJXNPSA-N 1 0 339.823 3.241 10 5 EGBERO Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C2CCCC2)n1 ZINC000921722887 1322385655 /nfs/dbraw/zinc/38/56/55/1322385655.db2.gz XUYPMVQEEOVNKU-UHFFFAOYSA-N 1 0 344.415 3.155 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922806646 1322622676 /nfs/dbraw/zinc/62/26/76/1322622676.db2.gz ZHRCMLYJKSMCCQ-HNNXBMFYSA-N 1 0 334.416 3.029 10 5 EGBERO CN(CCCCCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923426750 1322749926 /nfs/dbraw/zinc/74/99/26/1322749926.db2.gz PYXZARZKKOQKBF-UHFFFAOYSA-N 1 0 344.253 3.308 10 5 EGBERO COC(=O)/C=C\c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000931379534 1329107558 /nfs/dbraw/zinc/10/75/58/1329107558.db2.gz KLPDPWQRPVOGCG-CLFYSBASSA-N 1 0 347.415 3.069 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000925235739 1325090207 /nfs/dbraw/zinc/09/02/07/1325090207.db2.gz IHQMVGOQPZLXKF-CPUCHLNUSA-N 1 0 348.447 3.028 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)cc1[N+](=O)[O-] ZINC000925854988 1325331520 /nfs/dbraw/zinc/33/15/20/1325331520.db2.gz FXDZFKAYBQRWJX-BXUZGUMPSA-N 1 0 331.338 3.238 10 5 EGBERO CCC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926955272 1327794460 /nfs/dbraw/zinc/79/44/60/1327794460.db2.gz ZROMWCYIVKUSQQ-OAHLLOKOSA-N 1 0 342.461 3.096 10 5 EGBERO CN(C)[C@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000926959558 1327797072 /nfs/dbraw/zinc/79/70/72/1327797072.db2.gz BZSHXDSBKQSPIQ-HUUCEWRRSA-N 1 0 345.365 3.444 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000927063251 1327836530 /nfs/dbraw/zinc/83/65/30/1327836530.db2.gz ATBOHLFPOKYOEB-JYJNAYRXSA-N 1 0 341.415 3.337 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000927160030 1327899294 /nfs/dbraw/zinc/89/92/94/1327899294.db2.gz KNMKQVJDWIFPQG-SFHVURJKSA-N 1 0 345.443 3.255 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927163718 1327900615 /nfs/dbraw/zinc/90/06/15/1327900615.db2.gz NRASLIHGAJRMSE-CJNGLKHVSA-N 1 0 347.415 3.003 10 5 EGBERO C/C(=C/C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033480 1329524763 /nfs/dbraw/zinc/52/47/63/1329524763.db2.gz VOPCFSQEFFSOPQ-FFWXCITRSA-N 1 0 343.427 3.131 10 5 EGBERO Cc1nn(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c2ccc([N+](=O)[O-])cc12 ZINC000863295202 1329544629 /nfs/dbraw/zinc/54/46/29/1329544629.db2.gz VTGBHSJFXMFSOO-KGLIPLIRSA-N 1 0 332.429 3.180 10 5 EGBERO O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCCC2(CC2)CC1 ZINC000863331336 1329547138 /nfs/dbraw/zinc/54/71/38/1329547138.db2.gz JLLIGUAFSRKBIT-KRWDZBQOSA-N 1 0 343.427 3.134 10 5 EGBERO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000865955402 1329754230 /nfs/dbraw/zinc/75/42/30/1329754230.db2.gz JRGUFSUXEDLLBA-CYBMUJFWSA-N 1 0 343.374 3.079 10 5 EGBERO CCOc1cccc(N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000866054774 1330060446 /nfs/dbraw/zinc/06/04/46/1330060446.db2.gz JGHZIXXVKVNSIY-UHFFFAOYSA-N 1 0 333.432 3.306 10 5 EGBERO C[NH+](C)C1(C)CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000866146774 1330070610 /nfs/dbraw/zinc/07/06/10/1330070610.db2.gz CCCSHGWONCWGPJ-UHFFFAOYSA-N 1 0 329.404 3.213 10 5 EGBERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866303409 1330093537 /nfs/dbraw/zinc/09/35/37/1330093537.db2.gz SFUBHQJFMYTYEY-BXUZGUMPSA-N 1 0 338.404 3.358 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000866513765 1330120218 /nfs/dbraw/zinc/12/02/18/1330120218.db2.gz ZDMMMUAMMUNSJJ-CDHAZOANSA-N 1 0 336.407 3.460 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC23CCOCC3)n1 ZINC000866532250 1330122608 /nfs/dbraw/zinc/12/26/08/1330122608.db2.gz VOPQLXGQVKHGPZ-OWCLPIDISA-N 1 0 348.447 3.071 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)cccc1[N+](=O)[O-] ZINC000866534239 1330123160 /nfs/dbraw/zinc/12/31/60/1330123160.db2.gz PZHANPAOTWHZSJ-HUUCEWRRSA-N 1 0 334.416 3.140 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000866564126 1330127286 /nfs/dbraw/zinc/12/72/86/1330127286.db2.gz RPNRSYRSLGTUGR-SCLBCKFNSA-N 1 0 341.411 3.441 10 5 EGBERO CC1(CC(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC001323434435 1387369097 /nfs/dbraw/zinc/36/90/97/1387369097.db2.gz BLIQKROGHDLDSL-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001185156940 1387627630 /nfs/dbraw/zinc/62/76/30/1387627630.db2.gz CNSDZNJEXTZOQU-GFCCVEGCSA-N 1 0 336.392 3.425 10 5 EGBERO CC[NH+](CC)Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cn3)o2)o1 ZINC001117213879 1371022111 /nfs/dbraw/zinc/02/21/11/1371022111.db2.gz ZBEOGSHZGJGIQW-UHFFFAOYSA-N 1 0 343.343 3.142 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1C ZINC001126676921 1372996998 /nfs/dbraw/zinc/99/69/98/1372996998.db2.gz ZGYILPXHBMGFMG-MRXNPFEDSA-N 1 0 345.443 3.206 10 5 EGBERO Cc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001327178509 1388426687 /nfs/dbraw/zinc/42/66/87/1388426687.db2.gz VUHXKIDTYRXZKJ-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001136733333 1377418632 /nfs/dbraw/zinc/41/86/32/1377418632.db2.gz UIFYVYGCSRTSKL-OAHLLOKOSA-N 1 0 333.432 3.206 10 5 EGBERO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)C2CCC2)CC1 ZINC001327426554 1388516204 /nfs/dbraw/zinc/51/62/04/1388516204.db2.gz MJIHPSABDUWBAU-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC[N@@H+]1C[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827606 1380660528 /nfs/dbraw/zinc/66/05/28/1380660528.db2.gz GRPNCHUALUATHI-INIZCTEOSA-N 1 0 333.432 3.178 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001287941655 1381431931 /nfs/dbraw/zinc/43/19/31/1381431931.db2.gz AANQKGCOMKNLTQ-QGZVFWFLSA-N 1 0 345.443 3.430 10 5 EGBERO CCO[C@H]1C[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167475292 1383644581 /nfs/dbraw/zinc/64/45/81/1383644581.db2.gz ZFYYQTRSTRNVNI-IRXDYDNUSA-N 1 0 336.432 3.499 10 5 EGBERO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001328802868 1388870505 /nfs/dbraw/zinc/87/05/05/1388870505.db2.gz SKGIRBZCOIEQHZ-OAHLLOKOSA-N 1 0 339.395 3.057 10 5 EGBERO CC[C@H]1CCCC[N@@H+]1CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001306965813 1383927258 /nfs/dbraw/zinc/92/72/58/1383927258.db2.gz ZPQBILVNZZVHDM-AWEZNQCLSA-N 1 0 335.404 3.058 10 5 EGBERO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001306971470 1383928105 /nfs/dbraw/zinc/92/81/05/1383928105.db2.gz DSEVAARXMPWIOZ-LLVKDONJSA-N 1 0 331.338 3.392 10 5 EGBERO C[N@H+](Cc1ccccc1)C1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001307115682 1383942156 /nfs/dbraw/zinc/94/21/56/1383942156.db2.gz BTZGLTTVHIQHKW-UHFFFAOYSA-N 1 0 333.338 3.194 10 5 EGBERO CCC1(CC)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001307695524 1384014934 /nfs/dbraw/zinc/01/49/34/1384014934.db2.gz HUTQOGMCXGNEAW-UHFFFAOYSA-N 1 0 345.443 3.386 10 5 EGBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H](C)C1 ZINC001307842829 1384041006 /nfs/dbraw/zinc/04/10/06/1384041006.db2.gz RTGVJBFDUJHHCY-SOUVJXGZSA-N 1 0 345.443 3.288 10 5 EGBERO C/C=C\C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001307973854 1384065981 /nfs/dbraw/zinc/06/59/81/1384065981.db2.gz JNFBSZWYPILHOU-MPNWYJEXSA-N 1 0 343.427 3.162 10 5 EGBERO Cc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001170592713 1384346601 /nfs/dbraw/zinc/34/66/01/1384346601.db2.gz GOJRRAUXZBUXPU-HNNXBMFYSA-N 1 0 341.411 3.405 10 5 EGBERO O=C(CCC1CCC1)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001316632264 1384495490 /nfs/dbraw/zinc/49/54/90/1384495490.db2.gz PUIWXDKIIRAVCT-QAQDUYKDSA-N 1 0 345.443 3.160 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001316883643 1384666889 /nfs/dbraw/zinc/66/68/89/1384666889.db2.gz RFHAETVJSKFPJK-UHFFFAOYSA-N 1 0 341.411 3.237 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)c([N+](=O)[O-])c1 ZINC001176761155 1385687625 /nfs/dbraw/zinc/68/76/25/1385687625.db2.gz PZIRSELZSRVFKA-HNNXBMFYSA-N 1 0 335.360 3.084 10 5 EGBERO CCCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001320041622 1386469277 /nfs/dbraw/zinc/46/92/77/1386469277.db2.gz DMFHHQFFQSOBMW-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001321224565 1386847333 /nfs/dbraw/zinc/84/73/33/1386847333.db2.gz UAGZICCZICNKRM-AATRIKPKSA-N 1 0 345.443 3.327 10 5 EGBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001347488483 1391082754 /nfs/dbraw/zinc/08/27/54/1391082754.db2.gz QCPLQMZREWQYCT-UHFFFAOYSA-N 1 0 348.790 3.066 10 5 EGBERO CC(=O)c1c(NC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC001348594469 1391242935 /nfs/dbraw/zinc/24/29/35/1391242935.db2.gz BOJFIWUPNDDTOE-UHFFFAOYSA-N 1 0 340.383 3.273 10 5 EGBERO CC[N@H+](CCCNC(=O)C1(C)CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001479853414 1392433561 /nfs/dbraw/zinc/43/35/61/1392433561.db2.gz NFXZBNKJRRDDNV-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC=CC1 ZINC001479867092 1392444083 /nfs/dbraw/zinc/44/40/83/1392444083.db2.gz VCURGRDABZSGCI-UHFFFAOYSA-N 1 0 343.427 3.032 10 5 EGBERO CC1(CCC(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001484658041 1395466611 /nfs/dbraw/zinc/46/66/11/1395466611.db2.gz YWXXGYAHZPOCDA-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)C(C)(C)C1(C)C ZINC001691638499 1405374111 /nfs/dbraw/zinc/37/41/11/1405374111.db2.gz KSZZMZDLQNNDHU-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC001732918085 1429046743 /nfs/dbraw/zinc/04/67/43/1429046743.db2.gz IISCNSKKCHJXPQ-PLNGDYQASA-N 1 0 349.406 3.029 10 5 EGBERO CC(C)C(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001707066268 1417180747 /nfs/dbraw/zinc/18/07/47/1417180747.db2.gz QYIMYFQICBPJTR-IYBDPMFKSA-N 1 0 347.459 3.261 10 5 EGBERO CC[N@H+](CCNC(=O)C(C)=C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001714581050 1419320502 /nfs/dbraw/zinc/32/05/02/1419320502.db2.gz NUJOXHYADLIUHU-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001714788495 1419509557 /nfs/dbraw/zinc/50/95/57/1419509557.db2.gz QVRXAWOBGUHTAQ-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO CC(C)CC(=O)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001715200658 1419933050 /nfs/dbraw/zinc/93/30/50/1419933050.db2.gz XAISPTGWPQDRJF-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO Cc1cscc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715791482 1420345473 /nfs/dbraw/zinc/34/54/73/1420345473.db2.gz JIYKNVKCTVNXSK-UHFFFAOYSA-N 1 0 347.440 3.169 10 5 EGBERO CC(C)C(C)(C)C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001715821807 1420357139 /nfs/dbraw/zinc/35/71/39/1420357139.db2.gz PLIORHCBCDSBTI-AATRIKPKSA-N 1 0 333.432 3.039 10 5 EGBERO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)C(C)C)CC1 ZINC001717235186 1421203190 /nfs/dbraw/zinc/20/31/90/1421203190.db2.gz CGAPBXGVAOLVOK-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1(F)CCCC1 ZINC001724789643 1425156043 /nfs/dbraw/zinc/15/60/43/1425156043.db2.gz UREILUUQKMAZPU-UHFFFAOYSA-N 1 0 349.406 3.006 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001731308910 1427250146 /nfs/dbraw/zinc/25/01/46/1427250146.db2.gz PFWJDYYQFQYNIL-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO C/C(=C/C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)C1CC1 ZINC001733712520 1429929862 /nfs/dbraw/zinc/92/98/62/1429929862.db2.gz MAKYSLOWIYDRNR-GHXNOFRVSA-N 1 0 349.456 3.141 10 5 EGBERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000050371363 214053986 /nfs/dbraw/zinc/05/39/86/214053986.db2.gz PQEFDSRWSHFLJK-WCQYABFASA-N 1 0 329.194 3.014 10 5 EGBERO CC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000159460402 529606993 /nfs/dbraw/zinc/60/69/93/529606993.db2.gz NHJDDIOBAYGGBQ-MRXNPFEDSA-N 1 0 336.436 3.028 10 5 EGBERO Cc1sc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025332529 282475680 /nfs/dbraw/zinc/47/56/80/282475680.db2.gz QJFYUTLUOHQSKV-GFCCVEGCSA-N 1 0 339.442 3.059 10 5 EGBERO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103094993 219254212 /nfs/dbraw/zinc/25/42/12/219254212.db2.gz BEHSPLYGAGQRQV-INIZCTEOSA-N 1 0 345.443 3.323 10 5 EGBERO CC1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000095434278 218376368 /nfs/dbraw/zinc/37/63/68/218376368.db2.gz VMEUSEWRBUEFEJ-UHFFFAOYSA-N 1 0 329.194 3.016 10 5 EGBERO Cc1sc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153923278 224177008 /nfs/dbraw/zinc/17/70/08/224177008.db2.gz FZXYLALGSJTKTJ-OCCSQVGLSA-N 1 0 349.456 3.054 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341069657 155139294 /nfs/dbraw/zinc/13/92/94/155139294.db2.gz OPIZKPXPOXOYMR-RYUDHWBXSA-N 1 0 339.823 3.241 10 5 EGBERO Cc1sc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116126289 152045676 /nfs/dbraw/zinc/04/56/76/152045676.db2.gz FGRXWMGPJHUHBI-ZDUSSCGKSA-N 1 0 327.450 3.061 10 5 EGBERO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)n1 ZINC000195302864 153392263 /nfs/dbraw/zinc/39/22/63/153392263.db2.gz GBNYQRJTJVRHMK-UHFFFAOYSA-N 1 0 335.367 3.392 10 5 EGBERO Cc1nc2ccc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc2s1 ZINC000348923561 156289227 /nfs/dbraw/zinc/28/92/27/156289227.db2.gz SXFCDMNCAVSFQC-UHFFFAOYSA-N 1 0 342.424 3.478 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000248889298 163042619 /nfs/dbraw/zinc/04/26/19/163042619.db2.gz IUPHHXPGRQOSOB-CZUORRHYSA-N 1 0 334.416 3.349 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@]2(O)CCSC2)c2ccccc2)c1 ZINC000305857271 163082766 /nfs/dbraw/zinc/08/27/66/163082766.db2.gz WXGDJNGDFQTRFV-MSOLQXFVSA-N 1 0 344.436 3.142 10 5 EGBERO Cc1cc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000354401768 166014154 /nfs/dbraw/zinc/01/41/54/166014154.db2.gz MEFMMIFEYBDCAZ-INIZCTEOSA-N 1 0 326.400 3.009 10 5 EGBERO COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970540 165173259 /nfs/dbraw/zinc/17/32/59/165173259.db2.gz DUVOVFKCAVAZDR-UHFFFAOYSA-N 1 0 330.384 3.252 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353123425 165633635 /nfs/dbraw/zinc/63/36/35/165633635.db2.gz IGMPOOGNSHMIKX-SFHVURJKSA-N 1 0 347.459 3.444 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000359084928 167062699 /nfs/dbraw/zinc/06/26/99/167062699.db2.gz RLCVDAUAVDRUKC-OAHLLOKOSA-N 1 0 332.379 3.461 10 5 EGBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359567087 167196052 /nfs/dbraw/zinc/19/60/52/167196052.db2.gz WKNWDJVETLCTDM-LBTNJELSSA-N 1 0 331.416 3.434 10 5 EGBERO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000359801163 167236275 /nfs/dbraw/zinc/23/62/75/167236275.db2.gz OUGKNYQQVQZXRI-AWEZNQCLSA-N 1 0 332.379 3.158 10 5 EGBERO CNC(=O)C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000360770417 167407706 /nfs/dbraw/zinc/40/77/06/167407706.db2.gz DMUDMFISENSVJX-VDZSZVPASA-N 1 0 339.395 3.075 10 5 EGBERO CC[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175781597 265137710 /nfs/dbraw/zinc/13/77/10/265137710.db2.gz WGEJSGJGIBVFFR-QGZVFWFLSA-N 1 0 348.447 3.077 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177515764 265258980 /nfs/dbraw/zinc/25/89/80/265258980.db2.gz JLVKFRIHEKDBTE-KBPBESRZSA-N 1 0 347.415 3.054 10 5 EGBERO COCCC[N@H+](Cc1ccncc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289376662 276329847 /nfs/dbraw/zinc/32/98/47/276329847.db2.gz BXMTWUNACUBITH-UHFFFAOYSA-N 1 0 345.399 3.037 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1ccccc1 ZINC000362659842 277138955 /nfs/dbraw/zinc/13/89/55/277138955.db2.gz XYZQDYGZMNWOTG-NVXWUHKLSA-N 1 0 337.383 3.328 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000176223023 281009221 /nfs/dbraw/zinc/00/92/21/281009221.db2.gz WLAJHHLGSFSUAM-HNNXBMFYSA-N 1 0 346.431 3.304 10 5 EGBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000261885607 295316704 /nfs/dbraw/zinc/31/67/04/295316704.db2.gz NBMZJXUQJJYQAU-MVWJERBFSA-N 1 0 329.322 3.177 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414344571 309074041 /nfs/dbraw/zinc/07/40/41/309074041.db2.gz RPYWLMDWPZRJSW-LAQRGFTBSA-N 1 0 332.444 3.447 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000293698666 308153761 /nfs/dbraw/zinc/15/37/61/308153761.db2.gz RHQSYTPVJVJEJB-QGZVFWFLSA-N 1 0 329.400 3.148 10 5 EGBERO CC1(C)OCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294837246 308262541 /nfs/dbraw/zinc/26/25/41/308262541.db2.gz QPLHSHNNIPGVTM-AWEZNQCLSA-N 1 0 333.413 3.375 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](O)C(F)F ZINC000295086411 308289510 /nfs/dbraw/zinc/28/95/10/308289510.db2.gz RBZWIPNDRILBOJ-IUODEOHRSA-N 1 0 340.326 3.349 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000295693218 308351340 /nfs/dbraw/zinc/35/13/40/308351340.db2.gz LXIIJJHFZNKLAI-ZDUSSCGKSA-N 1 0 348.424 3.158 10 5 EGBERO COCc1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301450047 308700712 /nfs/dbraw/zinc/70/07/12/308700712.db2.gz SNXJVFZYXQUCOG-UHFFFAOYSA-N 1 0 333.432 3.053 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CCCC2 ZINC000417353842 309202761 /nfs/dbraw/zinc/20/27/61/309202761.db2.gz YFUXBIDDUWMXHH-CJNGLKHVSA-N 1 0 326.400 3.233 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000417840708 309224633 /nfs/dbraw/zinc/22/46/33/309224633.db2.gz FNNSCPFCDKPRNT-AWEZNQCLSA-N 1 0 348.447 3.315 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000418089381 309234907 /nfs/dbraw/zinc/23/49/07/309234907.db2.gz CCEKIEWVWWPVBS-CQSZACIVSA-N 1 0 332.331 3.054 10 5 EGBERO COC1CCC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588473 309983461 /nfs/dbraw/zinc/98/34/61/309983461.db2.gz VAJCKANEYHDWNC-QDIHITRGSA-N 1 0 336.436 3.070 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCC2CCOCC2)c1 ZINC000449354417 310056125 /nfs/dbraw/zinc/05/61/25/310056125.db2.gz NGYARCKNRNZFGL-UHFFFAOYSA-N 1 0 344.358 3.493 10 5 EGBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449420036 310060618 /nfs/dbraw/zinc/06/06/18/310060618.db2.gz ISRBWTGQSVDURR-WMLDXEAASA-N 1 0 330.384 3.448 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000449541286 310070269 /nfs/dbraw/zinc/07/02/69/310070269.db2.gz ZZFPSZBRUJAECU-CRAIPNDOSA-N 1 0 343.383 3.008 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449616359 310075469 /nfs/dbraw/zinc/07/54/69/310075469.db2.gz PXYIYWQBYMNWHE-CRAIPNDOSA-N 1 0 327.384 3.308 10 5 EGBERO CCCc1ncc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453347406 310272247 /nfs/dbraw/zinc/27/22/47/310272247.db2.gz ANNQRMZPGRUURX-KBPBESRZSA-N 1 0 333.392 3.005 10 5 EGBERO CCCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453347412 310272280 /nfs/dbraw/zinc/27/22/80/310272280.db2.gz ANNQRMZPGRUURX-ZIAGYGMSSA-N 1 0 333.392 3.005 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153080 310390905 /nfs/dbraw/zinc/39/09/05/310390905.db2.gz WMZOBTHKSIHGHV-AEFFLSMTSA-N 1 0 345.443 3.175 10 5 EGBERO CC[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493131289 311331977 /nfs/dbraw/zinc/33/19/77/311331977.db2.gz JRHGXXHNRHYMJN-QGZVFWFLSA-N 1 0 348.447 3.029 10 5 EGBERO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)CC(C)C ZINC000498458728 311885704 /nfs/dbraw/zinc/88/57/04/311885704.db2.gz XMOKZISHNWRIMN-ZDUSSCGKSA-N 1 0 341.477 3.451 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000508644934 312098943 /nfs/dbraw/zinc/09/89/43/312098943.db2.gz ZWCAZCQUSIGSKH-CYBMUJFWSA-N 1 0 346.408 3.318 10 5 EGBERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515704363 312294676 /nfs/dbraw/zinc/29/46/76/312294676.db2.gz WHQXIWAQOOXQBB-LBPRGKRZSA-N 1 0 347.415 3.329 10 5 EGBERO Cc1c(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000521695612 312556387 /nfs/dbraw/zinc/55/63/87/312556387.db2.gz AGSUJSVCIKMORS-HNNXBMFYSA-N 1 0 346.431 3.385 10 5 EGBERO Cn1c2ccccc2nc1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536008610 314087649 /nfs/dbraw/zinc/08/76/49/314087649.db2.gz ZZILQQOPLIILSO-UHFFFAOYSA-N 1 0 336.395 3.082 10 5 EGBERO CC[C@@H]1C[C@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000564120011 316115030 /nfs/dbraw/zinc/11/50/30/316115030.db2.gz FTXVAHOXVZKYAU-CZUORRHYSA-N 1 0 331.416 3.413 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000568384581 316767604 /nfs/dbraw/zinc/76/76/04/316767604.db2.gz PNIDSEZOHFHIOO-KRWDZBQOSA-N 1 0 342.395 3.002 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000581677153 325382351 /nfs/dbraw/zinc/38/23/51/325382351.db2.gz RYBFSIFSAKPFCQ-SJORKVTESA-N 1 0 339.395 3.049 10 5 EGBERO Cc1[nH]c(C[N@@H+](C)[C@H]2CCCC[C@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000239760927 455262648 /nfs/dbraw/zinc/26/26/48/455262648.db2.gz CILABTHQFNHAID-JKSUJKDBSA-N 1 0 344.415 3.029 10 5 EGBERO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000158071617 455266330 /nfs/dbraw/zinc/26/63/30/455266330.db2.gz PWJNCRRVSZTPHH-UHFFFAOYSA-N 1 0 334.420 3.145 10 5 EGBERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311060 455275664 /nfs/dbraw/zinc/27/56/64/455275664.db2.gz BLGCCFAEFUJXME-DOTOQJQBSA-N 1 0 347.459 3.420 10 5 EGBERO COC(=O)c1cc(-c2cccc(C[C@H]3CC[NH2+]C3)c2)cc([N+](=O)[O-])c1 ZINC000600787903 460603912 /nfs/dbraw/zinc/60/39/12/460603912.db2.gz HRGOAHVBGDEGDJ-CQSZACIVSA-N 1 0 340.379 3.200 10 5 EGBERO C[NH+](C)C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000024237700 453728872 /nfs/dbraw/zinc/72/88/72/453728872.db2.gz RZKLPHHHUZTRCV-OAHLLOKOSA-N 1 0 328.372 3.019 10 5 EGBERO Cc1sc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000025332528 453766943 /nfs/dbraw/zinc/76/69/43/453766943.db2.gz QJFYUTLUOHQSKV-LBPRGKRZSA-N 1 0 339.442 3.059 10 5 EGBERO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000026343748 453797106 /nfs/dbraw/zinc/79/71/06/453797106.db2.gz YKYTZNORAMGPLB-UHFFFAOYSA-N 1 0 331.397 3.043 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000058157582 454165846 /nfs/dbraw/zinc/16/58/46/454165846.db2.gz LHBQGRCCMWCGSK-LLVKDONJSA-N 1 0 347.346 3.032 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184664253 455424334 /nfs/dbraw/zinc/42/43/34/455424334.db2.gz MRLOMCIOIKCDID-GFCCVEGCSA-N 1 0 335.404 3.100 10 5 EGBERO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000119570292 454204611 /nfs/dbraw/zinc/20/46/11/454204611.db2.gz XLTMZRAHUFTEDI-UHFFFAOYSA-N 1 0 346.387 3.034 10 5 EGBERO Cc1sc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000046720812 454276649 /nfs/dbraw/zinc/27/66/49/454276649.db2.gz WDJDUBLCGLDTOH-UHFFFAOYSA-N 1 0 349.412 3.157 10 5 EGBERO O=C(Nc1c[nH+]ccc1N1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000072281686 454281966 /nfs/dbraw/zinc/28/19/66/454281966.db2.gz AFOLXFUGNKGBON-UHFFFAOYSA-N 1 0 332.385 3.294 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000120510365 454312754 /nfs/dbraw/zinc/31/27/54/454312754.db2.gz WJODBJCNFXQZCN-ZDUSSCGKSA-N 1 0 343.383 3.201 10 5 EGBERO COc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000091482076 454440363 /nfs/dbraw/zinc/44/03/63/454440363.db2.gz CPIINVQFVOGHJA-LBPRGKRZSA-N 1 0 335.404 3.041 10 5 EGBERO Cc1sc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000063802803 454450272 /nfs/dbraw/zinc/45/02/72/454450272.db2.gz JZNSKFICRFKJCE-ZBEGNZNMSA-N 1 0 339.461 3.205 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000092626586 454597185 /nfs/dbraw/zinc/59/71/85/454597185.db2.gz OVJAGOVBIRCEAQ-LBPRGKRZSA-N 1 0 325.384 3.275 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000106213189 454685677 /nfs/dbraw/zinc/68/56/77/454685677.db2.gz OZZUFTPIZPMEDN-QGZVFWFLSA-N 1 0 328.416 3.233 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000152896760 454738443 /nfs/dbraw/zinc/73/84/43/454738443.db2.gz SCVINEPPZVUSJQ-ZDUSSCGKSA-N 1 0 344.415 3.305 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153968406 454853089 /nfs/dbraw/zinc/85/30/89/454853089.db2.gz UQMKQBKJKUTXIG-RHSMWYFYSA-N 1 0 348.447 3.075 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000150924819 454913486 /nfs/dbraw/zinc/91/34/86/454913486.db2.gz WPKKRASGQOGBDO-AWEZNQCLSA-N 1 0 333.432 3.201 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116313722 455052339 /nfs/dbraw/zinc/05/23/39/455052339.db2.gz OAKYQQJAFDARJC-AWEZNQCLSA-N 1 0 344.415 3.105 10 5 EGBERO Cc1c(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152488387 455125796 /nfs/dbraw/zinc/12/57/96/455125796.db2.gz BJYXYCMVWCGOBU-HNNXBMFYSA-N 1 0 341.415 3.209 10 5 EGBERO O=C(NCCC[NH+]1CCCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129858803 455130217 /nfs/dbraw/zinc/13/02/17/455130217.db2.gz JNDVPZUERBFRMD-UHFFFAOYSA-N 1 0 344.415 3.072 10 5 EGBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000172616776 455164959 /nfs/dbraw/zinc/16/49/59/455164959.db2.gz GCWTVPJWFCNQJU-DGCLKSJQSA-N 1 0 347.440 3.364 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cccc1[N+](=O)[O-] ZINC000180639251 455215246 /nfs/dbraw/zinc/21/52/46/455215246.db2.gz NIMAAOMZUOHEOI-UONOGXRCSA-N 1 0 343.431 3.284 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000181282944 455312152 /nfs/dbraw/zinc/31/21/52/455312152.db2.gz WHEQKRIITWLYEE-OFQRWUPVSA-N 1 0 335.448 3.373 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000612580236 460667751 /nfs/dbraw/zinc/66/77/51/460667751.db2.gz CUONKKQEGYSWEF-UHFFFAOYSA-N 1 0 327.384 3.410 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181536917 455350588 /nfs/dbraw/zinc/35/05/88/455350588.db2.gz DETFCWICFQJSQP-IEBWSBKVSA-N 1 0 344.411 3.384 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246328513 455472359 /nfs/dbraw/zinc/47/23/59/455472359.db2.gz CSGFWKGHASQCFI-ZQIUZPCESA-N 1 0 348.447 3.028 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285568171 455871195 /nfs/dbraw/zinc/87/11/95/455871195.db2.gz NNVHWVAJWKBSBY-SMDDNHRTSA-N 1 0 332.322 3.435 10 5 EGBERO CN(c1ccc2ncccc2c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286324165 456024397 /nfs/dbraw/zinc/02/43/97/456024397.db2.gz JWDYYAOSXIQNIW-PBWFPOADSA-N 1 0 326.400 3.204 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000301423769 456111263 /nfs/dbraw/zinc/11/12/63/456111263.db2.gz AXCLBSASGYZVCM-UHFFFAOYSA-N 1 0 337.395 3.055 10 5 EGBERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115851 460715473 /nfs/dbraw/zinc/71/54/73/460715473.db2.gz DHSHFLYSOGDFIA-UONOGXRCSA-N 1 0 336.411 3.220 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000301799146 456217980 /nfs/dbraw/zinc/21/79/80/456217980.db2.gz VAZDSIGJRXPHDO-MLGOLLRUSA-N 1 0 349.406 3.196 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)s1 ZINC000263800802 456227878 /nfs/dbraw/zinc/22/78/78/456227878.db2.gz JYQHIZKUTUABJO-ZDUSSCGKSA-N 1 0 346.330 3.336 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340275077 456355143 /nfs/dbraw/zinc/35/51/43/456355143.db2.gz AWSLWNHYMNYWOW-PKOBYXMFSA-N 1 0 341.411 3.138 10 5 EGBERO Cc1ccc2cc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000601148946 460732405 /nfs/dbraw/zinc/73/24/05/460732405.db2.gz HUKVSLWDCDLOSM-IBGZPJMESA-N 1 0 339.395 3.382 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000276572775 456520171 /nfs/dbraw/zinc/52/01/71/456520171.db2.gz LJFUAEPFEIARMR-UHFFFAOYSA-N 1 0 339.823 3.159 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340539121 456520331 /nfs/dbraw/zinc/52/03/31/456520331.db2.gz RYNMGIJRCCSPDY-SIUPPRGNSA-N 1 0 344.415 3.169 10 5 EGBERO Cc1c(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000341469341 456866584 /nfs/dbraw/zinc/86/65/84/456866584.db2.gz YLNFXNILTLVWGX-BETUJISGSA-N 1 0 334.420 3.288 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000338957079 456875635 /nfs/dbraw/zinc/87/56/35/456875635.db2.gz YAUOVFLLGYGDFN-UHFFFAOYSA-N 1 0 326.356 3.252 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C(F)(F)F ZINC000349331545 456945626 /nfs/dbraw/zinc/94/56/26/456945626.db2.gz LNQNGSOCRXKPCF-WHOFXGATSA-N 1 0 346.349 3.209 10 5 EGBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000342107931 457111935 /nfs/dbraw/zinc/11/19/35/457111935.db2.gz CZBMTNMBQSVUOL-UHFFFAOYSA-N 1 0 339.461 3.167 10 5 EGBERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCC2 ZINC000352526296 457439585 /nfs/dbraw/zinc/43/95/85/457439585.db2.gz MEHVHYOJNGLVBX-IRXDYDNUSA-N 1 0 334.416 3.383 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)o2)cc1 ZINC000370731399 457708586 /nfs/dbraw/zinc/70/85/86/457708586.db2.gz WIUZBPDUJBGDBX-CYBMUJFWSA-N 1 0 338.367 3.225 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000428554479 458169148 /nfs/dbraw/zinc/16/91/48/458169148.db2.gz ZNZPITYULOHSPW-OALUTQOASA-N 1 0 344.386 3.298 10 5 EGBERO COC1CCC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588472 458317342 /nfs/dbraw/zinc/31/73/42/458317342.db2.gz VAJCKANEYHDWNC-FJBKBRRZSA-N 1 0 336.436 3.070 10 5 EGBERO COc1ccccc1CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213337 458421752 /nfs/dbraw/zinc/42/17/52/458421752.db2.gz BJLCGRWXUIAHEJ-UHFFFAOYSA-N 1 0 330.384 3.287 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423983099 458530967 /nfs/dbraw/zinc/53/09/67/458530967.db2.gz VHQPKYJENHRDPB-NVXWUHKLSA-N 1 0 345.443 3.322 10 5 EGBERO Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946975 458581655 /nfs/dbraw/zinc/58/16/55/458581655.db2.gz HWLYPHTVBAGRDQ-IINYFYTJSA-N 1 0 331.338 3.308 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000373777682 458600577 /nfs/dbraw/zinc/60/05/77/458600577.db2.gz NZBSVHYJRAKIBM-UHFFFAOYSA-N 1 0 334.416 3.242 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470959457 458670038 /nfs/dbraw/zinc/67/00/38/458670038.db2.gz NUZBYDAOMXGZAG-PWSUYJOCSA-N 1 0 348.321 3.255 10 5 EGBERO Cc1ccnc([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000519619625 458974822 /nfs/dbraw/zinc/97/48/22/458974822.db2.gz ZXLSBHWTAHLLKY-OAHLLOKOSA-N 1 0 327.384 3.167 10 5 EGBERO COc1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000594524444 459079831 /nfs/dbraw/zinc/07/98/31/459079831.db2.gz QBMCWSLEVFBRPL-LBPRGKRZSA-N 1 0 340.383 3.373 10 5 EGBERO C[C@@H]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000594987035 459207443 /nfs/dbraw/zinc/20/74/43/459207443.db2.gz VOYQBTFGCFXFJZ-CXAGYDPISA-N 1 0 344.415 3.043 10 5 EGBERO CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000594995558 459208696 /nfs/dbraw/zinc/20/86/96/459208696.db2.gz PMRLJOMEVQZEGY-UHFFFAOYSA-N 1 0 338.379 3.336 10 5 EGBERO CC(C)(C)OC(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000594993097 459209215 /nfs/dbraw/zinc/20/92/15/459209215.db2.gz BBTJWCNPHSLKSU-UHFFFAOYSA-N 1 0 326.418 3.258 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000595027166 459221382 /nfs/dbraw/zinc/22/13/82/459221382.db2.gz PMODDBHNMNTKBW-GFCCVEGCSA-N 1 0 346.431 3.237 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CC1(F)F ZINC000595068334 459234832 /nfs/dbraw/zinc/23/48/32/459234832.db2.gz KEQAMVAUHOEAFO-BXUZGUMPSA-N 1 0 346.399 3.479 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)CCCC2 ZINC000595069050 459235539 /nfs/dbraw/zinc/23/55/39/459235539.db2.gz NISKLEUCNBUZDF-LSDHHAIUSA-N 1 0 326.343 3.376 10 5 EGBERO Cc1noc(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595524981 459335453 /nfs/dbraw/zinc/33/54/53/459335453.db2.gz CQQXRKCSEORXQM-UHFFFAOYSA-N 1 0 338.452 3.224 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CNc1cc[nH+]c(C)c1Br ZINC000568825729 459349805 /nfs/dbraw/zinc/34/98/05/459349805.db2.gz MEZGEXXZTGHISQ-UHFFFAOYSA-N 1 0 336.189 3.403 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595606934 459364293 /nfs/dbraw/zinc/36/42/93/459364293.db2.gz XYXQWNSBINLMDA-CRAIPNDOSA-N 1 0 348.443 3.427 10 5 EGBERO O=[N+]([O-])c1cc(C[N@H+](CCC2CC2)CC2CC2)c2c(c1)COCO2 ZINC000595870358 459468955 /nfs/dbraw/zinc/46/89/55/459468955.db2.gz ALCGTOVEUKDGQE-UHFFFAOYSA-N 1 0 332.400 3.473 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000541758137 459488425 /nfs/dbraw/zinc/48/84/25/459488425.db2.gz XWTZQHJFHDNFAE-UHFFFAOYSA-N 1 0 326.352 3.411 10 5 EGBERO CCCN(C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591976297 459502180 /nfs/dbraw/zinc/50/21/80/459502180.db2.gz QFXRWSHBRLLPKN-IRXDYDNUSA-N 1 0 348.447 3.172 10 5 EGBERO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596082913 459513787 /nfs/dbraw/zinc/51/37/87/459513787.db2.gz PXHYGGVBMUMEFW-QWRGUYRKSA-N 1 0 325.796 3.296 10 5 EGBERO COc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596118751 459527926 /nfs/dbraw/zinc/52/79/26/459527926.db2.gz DMZBAKMSBAQNKJ-NSHDSACASA-N 1 0 325.796 3.153 10 5 EGBERO COC(=O)c1c(Cl)c(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000596236232 459569888 /nfs/dbraw/zinc/56/98/88/459569888.db2.gz KYUCZMGHOFLWAL-SNVBAGLBSA-N 1 0 343.811 3.175 10 5 EGBERO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000592399649 459593864 /nfs/dbraw/zinc/59/38/64/459593864.db2.gz PVDOHOIQLULPAC-KCYZZUKISA-N 1 0 326.400 3.196 10 5 EGBERO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000583974050 459627746 /nfs/dbraw/zinc/62/77/46/459627746.db2.gz BMCKLDRBSHWFTO-AWEZNQCLSA-N 1 0 341.411 3.065 10 5 EGBERO CC(C)Oc1ccnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000593029144 459746416 /nfs/dbraw/zinc/74/64/16/459746416.db2.gz VAQVFIOCJGGPNJ-UHFFFAOYSA-N 1 0 329.400 3.452 10 5 EGBERO CC(C)Oc1ccnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000593031518 459747648 /nfs/dbraw/zinc/74/76/48/459747648.db2.gz ZFTRCPMSMIJEQI-UHFFFAOYSA-N 1 0 329.400 3.452 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000584830818 459809959 /nfs/dbraw/zinc/80/99/59/459809959.db2.gz RFNPTUQTCFYCMY-UHFFFAOYSA-N 1 0 345.443 3.311 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000593461344 459895111 /nfs/dbraw/zinc/89/51/11/459895111.db2.gz KIZTUQSKYHPGQJ-AWEZNQCLSA-N 1 0 326.400 3.065 10 5 EGBERO COCCC[NH+]1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462613 459896870 /nfs/dbraw/zinc/89/68/70/459896870.db2.gz XYCOXEROAYYINJ-UHFFFAOYSA-N 1 0 344.415 3.056 10 5 EGBERO CC(C)(C)[N@@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000575186934 459945500 /nfs/dbraw/zinc/94/55/00/459945500.db2.gz CAWWZEUXMUTTCZ-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)s2)cc1 ZINC000593687646 459950429 /nfs/dbraw/zinc/95/04/29/459950429.db2.gz LTVXOUKNERLPPK-VXOUBLIBSA-N 1 0 348.449 3.029 10 5 EGBERO O=[N+]([O-])c1cc(C(F)F)ccc1NCCCC[NH+]1CCOCC1 ZINC000589107484 460031011 /nfs/dbraw/zinc/03/10/11/460031011.db2.gz CDHORBXPBNDMFM-UHFFFAOYSA-N 1 0 329.347 3.057 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000594019377 460058308 /nfs/dbraw/zinc/05/83/08/460058308.db2.gz IDLNIFPWGYZOCC-XJKSGUPXSA-N 1 0 348.374 3.215 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000594018222 460058752 /nfs/dbraw/zinc/05/87/52/460058752.db2.gz SPDQDTLLQJIVDN-KBXCAEBGSA-N 1 0 348.374 3.215 10 5 EGBERO Cn1ccnc1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272689 460101240 /nfs/dbraw/zinc/10/12/40/460101240.db2.gz DEIFWCJNOPXRGR-SFHVURJKSA-N 1 0 336.395 3.402 10 5 EGBERO COc1cccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)OC)c1 ZINC000598987990 460118722 /nfs/dbraw/zinc/11/87/22/460118722.db2.gz NQRPTJLXRBYZHI-GOSISDBHSA-N 1 0 330.384 3.389 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000599047299 460139405 /nfs/dbraw/zinc/13/94/05/460139405.db2.gz SOOAQAUUTAPWLR-AWEZNQCLSA-N 1 0 326.400 3.065 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000599574178 460277577 /nfs/dbraw/zinc/27/75/77/460277577.db2.gz PSAJGIWFWIAGNV-GOSISDBHSA-N 1 0 327.384 3.500 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2CCCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000599672912 460305668 /nfs/dbraw/zinc/30/56/68/460305668.db2.gz JNEPJDPJPPRNID-UHFFFAOYSA-N 1 0 331.416 3.498 10 5 EGBERO COC(=O)COc1ccc(C[NH+]2C3CCCC2CCC3)cc1[N+](=O)[O-] ZINC000616136019 460479545 /nfs/dbraw/zinc/47/95/45/460479545.db2.gz BEPDUXQUAHYHBF-UHFFFAOYSA-N 1 0 348.399 3.054 10 5 EGBERO CC(C)Oc1nc(N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601217307 460754374 /nfs/dbraw/zinc/75/43/74/460754374.db2.gz ZIFHOFVCBBDZSS-UHFFFAOYSA-N 1 0 348.447 3.232 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000601228952 460757099 /nfs/dbraw/zinc/75/70/99/460757099.db2.gz AKSLJMSBKBPJIC-UHFFFAOYSA-N 1 0 346.353 3.319 10 5 EGBERO COc1ccc(CN2CC[C@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000601963088 460964248 /nfs/dbraw/zinc/96/42/48/460964248.db2.gz JXRRMPPIYUAVCZ-CQSZACIVSA-N 1 0 327.384 3.056 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730732452 575015055 /nfs/dbraw/zinc/01/50/55/575015055.db2.gz ZWSADQWNSBHGLU-BETUJISGSA-N 1 0 336.461 3.144 10 5 EGBERO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000733900138 575407613 /nfs/dbraw/zinc/40/76/13/575407613.db2.gz IYMANHLTZXBNQS-JOCHJYFZSA-N 1 0 338.454 3.182 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871155775 1296242688 /nfs/dbraw/zinc/24/26/88/1296242688.db2.gz ARJVCYKWGDDMHK-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000871358879 1296366860 /nfs/dbraw/zinc/36/68/60/1296366860.db2.gz KQEXBZNRTCYISG-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041684 1296691702 /nfs/dbraw/zinc/69/17/02/1296691702.db2.gz JZQWXKXOXFHDIR-NEPJUHHUSA-N 1 0 348.353 3.198 10 5 EGBERO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCOC1 ZINC000872073657 1296719182 /nfs/dbraw/zinc/71/91/82/1296719182.db2.gz UGZWRSLILKKCLD-WMLDXEAASA-N 1 0 331.416 3.413 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083317 1296723466 /nfs/dbraw/zinc/72/34/66/1296723466.db2.gz KYMVSVCMGDDIJT-RISCZKNCSA-N 1 0 345.374 3.161 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H]1CCOC1=O ZINC000872110650 1296735937 /nfs/dbraw/zinc/73/59/37/1296735937.db2.gz LSQHADCZFREKBF-NEPJUHHUSA-N 1 0 338.429 3.311 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872151475 1296770228 /nfs/dbraw/zinc/77/02/28/1296770228.db2.gz KYFLGDHFSJFVCO-MJVIPROJSA-N 1 0 331.338 3.033 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000872220138 1296823569 /nfs/dbraw/zinc/82/35/69/1296823569.db2.gz FJGRNGQDFMDPRP-SUNYJGFJSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000872259089 1296858578 /nfs/dbraw/zinc/85/85/78/1296858578.db2.gz LEMMLJMYUJTOMW-INIZCTEOSA-N 1 0 349.387 3.427 10 5 EGBERO O=[N+]([O-])c1cc(Cl)cnc1NCC1C[NH+](Cc2ccccc2)C1 ZINC000716225376 1298295257 /nfs/dbraw/zinc/29/52/57/1298295257.db2.gz XUXREAYJJRHPPY-UHFFFAOYSA-N 1 0 332.791 3.187 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@]34CCCO4)co2)cc1 ZINC000880505777 1301142556 /nfs/dbraw/zinc/14/25/56/1301142556.db2.gz NTLUXLUOWQKRGJ-AEFFLSMTSA-N 1 0 343.383 3.441 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c(Cl)c1 ZINC000886239526 1303410192 /nfs/dbraw/zinc/41/01/92/1303410192.db2.gz YXSBZGPZPDQOGP-OAHLLOKOSA-N 1 0 338.766 3.081 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000886302744 1303428811 /nfs/dbraw/zinc/42/88/11/1303428811.db2.gz VFXRJKXBMYFWBJ-KRWDZBQOSA-N 1 0 334.416 3.050 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827144 1304598987 /nfs/dbraw/zinc/59/89/87/1304598987.db2.gz CGBPYNRVHWFGMB-BUHFOSPRSA-N 1 0 343.427 3.131 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[C@@]4(O)C3)o2)c(Cl)c1 ZINC000895651333 1309448333 /nfs/dbraw/zinc/44/83/33/1309448333.db2.gz ZZLDZCWTIVXZSM-QLJPJBMISA-N 1 0 334.759 3.075 10 5 EGBERO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3c4ccccc4CC[C@@H]3F)C2)c1 ZINC000895693117 1309469396 /nfs/dbraw/zinc/46/93/96/1309469396.db2.gz YMTYMPQGJUWJRE-CXMPNGEBSA-N 1 0 330.363 3.110 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1Cl ZINC000895753113 1309504329 /nfs/dbraw/zinc/50/43/29/1309504329.db2.gz NXOQDVQNIPYBTE-CQSZACIVSA-N 1 0 338.766 3.081 10 5 EGBERO O=C(c1cc2ccccc2c2cccnc12)N1CC([NH+]2CCCC2)C1 ZINC000898613594 1310804827 /nfs/dbraw/zinc/80/48/27/1310804827.db2.gz ORJIYUNRXKGTKZ-UHFFFAOYSA-N 1 0 331.419 3.308 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930440495 1328854791 /nfs/dbraw/zinc/85/47/91/1328854791.db2.gz NPNUGJZZEQNIMH-GXTWGEPZSA-N 1 0 332.322 3.179 10 5 EGBERO Cc1c(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000923006165 1322671957 /nfs/dbraw/zinc/67/19/57/1322671957.db2.gz CSVUFPULZRSHCT-IZAXUBKRSA-N 1 0 326.396 3.086 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccns1 ZINC000860053688 1329136304 /nfs/dbraw/zinc/13/63/04/1329136304.db2.gz BYJLGQMDVPECKW-NSHDSACASA-N 1 0 334.401 3.039 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)cc1[N+](=O)[O-] ZINC000925854996 1325332126 /nfs/dbraw/zinc/33/21/26/1325332126.db2.gz FXDZFKAYBQRWJX-SMDDNHRTSA-N 1 0 331.338 3.238 10 5 EGBERO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926440965 1325555676 /nfs/dbraw/zinc/55/56/76/1325555676.db2.gz VKGQIIPXSWNUHC-WMZOPIPTSA-N 1 0 331.416 3.269 10 5 EGBERO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000926927230 1327780966 /nfs/dbraw/zinc/78/09/66/1327780966.db2.gz QIXHRUITAFJNHG-LBPRGKRZSA-N 1 0 340.305 3.124 10 5 EGBERO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C[C@@H]2O1 ZINC000927058643 1327834277 /nfs/dbraw/zinc/83/42/77/1327834277.db2.gz RWNCQKAHYPTXRJ-AHCXZYCDSA-N 1 0 346.427 3.188 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927070367 1327840694 /nfs/dbraw/zinc/84/06/94/1327840694.db2.gz ZMUBPQRMLCLFID-MRAWALMUSA-N 1 0 336.407 3.460 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928011942 1328171122 /nfs/dbraw/zinc/17/11/22/1328171122.db2.gz NKFDZUHNRPENLO-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863032615 1329524989 /nfs/dbraw/zinc/52/49/89/1329524989.db2.gz QBCZOJCEBRSCSR-SZEUEKNRSA-N 1 0 343.427 3.131 10 5 EGBERO CC1([NH+]2CCCC2)CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000866022001 1329759665 /nfs/dbraw/zinc/75/96/65/1329759665.db2.gz LZEKSVQIRWGNIQ-UHFFFAOYSA-N 1 0 325.359 3.328 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCCS1 ZINC000866478809 1330117198 /nfs/dbraw/zinc/11/71/98/1330117198.db2.gz LHTDVQFFTIRVDS-WFASDCNBSA-N 1 0 337.445 3.187 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866532705 1330122907 /nfs/dbraw/zinc/12/29/07/1330122907.db2.gz XYHFRQFDBGEWJC-ZFWWWQNUSA-N 1 0 336.407 3.461 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000866612876 1330132779 /nfs/dbraw/zinc/13/27/79/1330132779.db2.gz CRYMAHROUUOJAO-LZWOXQAQSA-N 1 0 328.416 3.390 10 5 EGBERO CC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001193211964 1367966951 /nfs/dbraw/zinc/96/69/51/1367966951.db2.gz ZXVDQXPXEGLVRL-GOSISDBHSA-N 1 0 340.427 3.086 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001196771841 1368681103 /nfs/dbraw/zinc/68/11/03/1368681103.db2.gz HDXLIIRIVPXXCL-PKOBYXMFSA-N 1 0 342.395 3.301 10 5 EGBERO COC(=O)CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001197468427 1368821439 /nfs/dbraw/zinc/82/14/39/1368821439.db2.gz KCEKLDMVYYQNPS-GFCCVEGCSA-N 1 0 340.807 3.413 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001203699610 1370224806 /nfs/dbraw/zinc/22/48/06/1370224806.db2.gz XRADOBCAUHKEKU-BZPDREMPSA-N 1 0 344.386 3.330 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC001326466395 1388201129 /nfs/dbraw/zinc/20/11/29/1388201129.db2.gz YBVNBYOKBJBFMA-UONOGXRCSA-N 1 0 328.372 3.465 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001125809238 1372861968 /nfs/dbraw/zinc/86/19/68/1372861968.db2.gz ZTGJPXSEJHBUBA-UHFFFAOYSA-N 1 0 337.339 3.045 10 5 EGBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130585687 1373566409 /nfs/dbraw/zinc/56/64/09/1373566409.db2.gz LDTPWGQYUIEQDH-MGPQQGTHSA-N 1 0 347.459 3.445 10 5 EGBERO C/C(=C/C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001327187335 1388429918 /nfs/dbraw/zinc/42/99/18/1388429918.db2.gz GYBHNFLMJSSYDA-QINSGFPZSA-N 1 0 345.443 3.231 10 5 EGBERO COC(=O)/C=C\c1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001327568491 1388561253 /nfs/dbraw/zinc/56/12/53/1388561253.db2.gz BUEKPIIOTIJKBB-QXBIUURJSA-N 1 0 347.415 3.066 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC001167656296 1383700130 /nfs/dbraw/zinc/70/01/30/1383700130.db2.gz IRFQLVFWCAKPNS-GOSISDBHSA-N 1 0 328.416 3.355 10 5 EGBERO COc1cc(NCc2nc3c([nH]2)CCCC3)c(Cl)cc1[N+](=O)[O-] ZINC001307218472 1383958718 /nfs/dbraw/zinc/95/87/18/1383958718.db2.gz JNMSEBJTUWYGCZ-UHFFFAOYSA-N 1 0 336.779 3.471 10 5 EGBERO CC[N@H+](C)[C@@H]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001307234675 1383962779 /nfs/dbraw/zinc/96/27/79/1383962779.db2.gz HLDBFOVLOBGLBZ-GFCCVEGCSA-N 1 0 334.807 3.327 10 5 EGBERO C[C@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1(Cl)Cl ZINC001307416343 1383985461 /nfs/dbraw/zinc/98/54/61/1383985461.db2.gz ZMENJCRCRMFVQG-CQSZACIVSA-N 1 0 344.242 3.301 10 5 EGBERO COc1ccc([C@@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001308014987 1384075403 /nfs/dbraw/zinc/07/54/03/1384075403.db2.gz XCAHIMRVRRGSSJ-SFHVURJKSA-N 1 0 341.411 3.058 10 5 EGBERO CCC(C)(CC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001316623385 1384488931 /nfs/dbraw/zinc/48/89/31/1384488931.db2.gz HPSHYRBFZDVDKB-FZNQNYSPSA-N 1 0 347.459 3.406 10 5 EGBERO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001171734771 1384619371 /nfs/dbraw/zinc/61/93/71/1384619371.db2.gz LAZCQUJIFFNBKW-IBGZPJMESA-N 1 0 339.439 3.262 10 5 EGBERO CCC1(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001317467289 1385160629 /nfs/dbraw/zinc/16/06/29/1385160629.db2.gz FZWPEJQLEBMKRA-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC/C=C(\C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001698626020 1406267233 /nfs/dbraw/zinc/26/72/33/1406267233.db2.gz CVKVJUKAHSRYNN-VIZOYTHASA-N 1 0 345.443 3.470 10 5 EGBERO C[C@@H]1C[C@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC001330029436 1389288322 /nfs/dbraw/zinc/28/83/22/1389288322.db2.gz KFXOEVCQLKEQMQ-GHMZBOCLSA-N 1 0 349.822 3.110 10 5 EGBERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001479315500 1392212053 /nfs/dbraw/zinc/21/20/53/1392212053.db2.gz YBPOCFYOUCOEJD-IYBDPMFKSA-N 1 0 345.443 3.160 10 5 EGBERO O=C(CCC1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001485681693 1396102274 /nfs/dbraw/zinc/10/22/74/1396102274.db2.gz XAEYANORMHIBGE-JCNLHEQBSA-N 1 0 345.443 3.160 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CC1 ZINC001700188390 1413613123 /nfs/dbraw/zinc/61/31/23/1413613123.db2.gz GFXGTDDZNCJBCG-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCCCC1 ZINC001732573468 1428771401 /nfs/dbraw/zinc/77/14/01/1428771401.db2.gz AAUKLTFIENNFFU-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCC1 ZINC001732764395 1428956501 /nfs/dbraw/zinc/95/65/01/1428956501.db2.gz QKMGJNRXAHEUSO-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001732832494 1429000255 /nfs/dbraw/zinc/00/02/55/1429000255.db2.gz ZRWPUUQAGAJBTP-BQYQJAHWSA-N 1 0 345.443 3.327 10 5 EGBERO Cc1csc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001712946604 1417506394 /nfs/dbraw/zinc/50/63/94/1417506394.db2.gz XEFBRZQSHWCTKO-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CCC[N@H+](CCNC(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713545487 1418313533 /nfs/dbraw/zinc/31/35/33/1418313533.db2.gz CHQMMWCNTZHGAP-UHFFFAOYSA-N 1 0 341.411 3.237 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713949959 1418734378 /nfs/dbraw/zinc/73/43/78/1418734378.db2.gz JREWKOXDCNCCLB-SHTZXODSSA-N 1 0 333.432 3.158 10 5 EGBERO CC(C)=CC(=O)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001714324051 1419102732 /nfs/dbraw/zinc/10/27/32/1419102732.db2.gz ZKWBFGCOIJTXRO-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO Cc1cc(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)co1 ZINC001717150427 1421141405 /nfs/dbraw/zinc/14/14/05/1421141405.db2.gz ARHNOBMRSKEGHH-UHFFFAOYSA-N 1 0 349.412 3.000 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183333998 529760854 /nfs/dbraw/zinc/76/08/54/529760854.db2.gz GAOKFGHMRQJHOK-QGZVFWFLSA-N 1 0 328.416 3.499 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178446029 232168012 /nfs/dbraw/zinc/16/80/12/232168012.db2.gz YCIKAZCAKIUEKH-GUYCJALGSA-N 1 0 330.384 3.296 10 5 EGBERO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103094990 219254460 /nfs/dbraw/zinc/25/44/60/219254460.db2.gz BEHSPLYGAGQRQV-MRXNPFEDSA-N 1 0 345.443 3.323 10 5 EGBERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000183318005 235005795 /nfs/dbraw/zinc/00/57/95/235005795.db2.gz CKKOREQTPLCVLN-CQSZACIVSA-N 1 0 330.388 3.049 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000079462152 217227706 /nfs/dbraw/zinc/22/77/06/217227706.db2.gz GQEZBEDMVCYSBJ-PBHICJAKSA-N 1 0 335.448 3.156 10 5 EGBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080248023 217291149 /nfs/dbraw/zinc/29/11/49/217291149.db2.gz KPIZMYOPLBSPOD-JTQLQIEISA-N 1 0 347.337 3.074 10 5 EGBERO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645066 218237866 /nfs/dbraw/zinc/23/78/66/218237866.db2.gz KIJXKTNRIOVRMC-AAEUAGOBSA-N 1 0 343.374 3.111 10 5 EGBERO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357931001 141360175 /nfs/dbraw/zinc/36/01/75/141360175.db2.gz GMRJOECMBSBFLA-UONOGXRCSA-N 1 0 336.436 3.075 10 5 EGBERO C[NH+](C)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000121788507 152371272 /nfs/dbraw/zinc/37/12/72/152371272.db2.gz DLUBKLFXNYKFAP-UHFFFAOYSA-N 1 0 329.400 3.381 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccnc1 ZINC000341586493 155368688 /nfs/dbraw/zinc/36/86/88/155368688.db2.gz DPWYVAJWZUARFA-STQMWFEESA-N 1 0 328.372 3.058 10 5 EGBERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000337286598 154260670 /nfs/dbraw/zinc/26/06/70/154260670.db2.gz KQWJFZICXKGNBL-SFHVURJKSA-N 1 0 344.415 3.324 10 5 EGBERO COc1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000337292488 154263497 /nfs/dbraw/zinc/26/34/97/154263497.db2.gz MYCCBMCVKGTNFT-UHFFFAOYSA-N 1 0 325.368 3.417 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000341063164 155131650 /nfs/dbraw/zinc/13/16/50/155131650.db2.gz DHVMWOREIMRUPT-RYUDHWBXSA-N 1 0 339.823 3.241 10 5 EGBERO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000127100316 162321864 /nfs/dbraw/zinc/32/18/64/162321864.db2.gz JTIJCDWCPHFGEH-KRWDZBQOSA-N 1 0 343.431 3.222 10 5 EGBERO Cc1sc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000337249606 163179513 /nfs/dbraw/zinc/17/95/13/163179513.db2.gz JMVZYUOXDSVHDX-UHFFFAOYSA-N 1 0 349.412 3.157 10 5 EGBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359539666 167185002 /nfs/dbraw/zinc/18/50/02/167185002.db2.gz BPBXPWIHCDAHEH-LBTNJELSSA-N 1 0 331.416 3.434 10 5 EGBERO COc1cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000360222687 167276158 /nfs/dbraw/zinc/27/61/58/167276158.db2.gz UYDHEJINEDKKPE-OIRASMEMSA-N 1 0 348.424 3.192 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000122569368 222114764 /nfs/dbraw/zinc/11/47/64/222114764.db2.gz YMUYKLXYXHDTCH-IAQYHMDHSA-N 1 0 339.823 3.051 10 5 EGBERO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178648347 265333542 /nfs/dbraw/zinc/33/35/42/265333542.db2.gz CLDWNURWSGEZRD-MAUKXSAKSA-N 1 0 327.428 3.418 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000179396274 265375336 /nfs/dbraw/zinc/37/53/36/265375336.db2.gz FUCHVDRRYMPRMN-LBPRGKRZSA-N 1 0 346.431 3.237 10 5 EGBERO CC[N@@H+]1CCC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000048505779 275146596 /nfs/dbraw/zinc/14/65/96/275146596.db2.gz KIFSXBSZOAWAMD-NSHDSACASA-N 1 0 328.210 3.254 10 5 EGBERO COc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000351393724 294993991 /nfs/dbraw/zinc/99/39/91/294993991.db2.gz FEJYRNFIRCFNTB-CYBMUJFWSA-N 1 0 337.395 3.197 10 5 EGBERO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295997232 308382992 /nfs/dbraw/zinc/38/29/92/308382992.db2.gz XKZCIHJCUNCVGN-VXGBXAGGSA-N 1 0 339.823 3.111 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000411089548 308926367 /nfs/dbraw/zinc/92/63/67/308926367.db2.gz WUEGRNPDKGHPME-UHFFFAOYSA-N 1 0 339.823 3.161 10 5 EGBERO C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415700875 309141389 /nfs/dbraw/zinc/14/13/89/309141389.db2.gz NFXJFCOGDHCUBK-CHWSQXEVSA-N 1 0 348.447 3.341 10 5 EGBERO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415699462 309141416 /nfs/dbraw/zinc/14/14/16/309141416.db2.gz IVXKXHAZYJEBPL-CYBMUJFWSA-N 1 0 334.420 3.108 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3ccccc3C2)n1 ZINC000447510487 309980317 /nfs/dbraw/zinc/98/03/17/309980317.db2.gz PHJJYPMUKZIDKU-FGTMMUONSA-N 1 0 340.427 3.422 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000449185953 310043009 /nfs/dbraw/zinc/04/30/09/310043009.db2.gz BMFDLZINZOFBMS-UKRRQHHQSA-N 1 0 334.807 3.371 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)o1 ZINC000449466405 310064258 /nfs/dbraw/zinc/06/42/58/310064258.db2.gz GTJWMEYALKLIIA-INIZCTEOSA-N 1 0 338.310 3.057 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@](O)(C(F)F)C3)o2)c1 ZINC000449466973 310064325 /nfs/dbraw/zinc/06/43/25/310064325.db2.gz IECZJCAAXJOLKK-INIZCTEOSA-N 1 0 338.310 3.057 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000449543882 310070454 /nfs/dbraw/zinc/07/04/54/310070454.db2.gz UXIFAEAFRLFTBV-WMZOPIPTSA-N 1 0 327.384 3.308 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449674596 310080040 /nfs/dbraw/zinc/08/00/40/310080040.db2.gz VQWVGKJFXRBBCI-SWLSCSKDSA-N 1 0 346.349 3.463 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451351287 310173669 /nfs/dbraw/zinc/17/36/69/310173669.db2.gz ITTDDCIWPIGHKE-BRWVUGGUSA-N 1 0 334.416 3.119 10 5 EGBERO COc1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)n1 ZINC000451543450 310184487 /nfs/dbraw/zinc/18/44/87/310184487.db2.gz BTVMONQSAZKNEL-OAHLLOKOSA-N 1 0 342.399 3.081 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)co2)cc1 ZINC000451914326 310203435 /nfs/dbraw/zinc/20/34/35/310203435.db2.gz ZTZFVLGXCYBLCJ-GOSISDBHSA-N 1 0 343.383 3.252 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCC2CCOCC2)n1 ZINC000453227578 310265279 /nfs/dbraw/zinc/26/52/79/310265279.db2.gz FVZMTYFAMSBXGC-JKSUJKDBSA-N 1 0 336.436 3.071 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC2(CO)CC2)c2ccccc2)c1 ZINC000453334288 310271514 /nfs/dbraw/zinc/27/15/14/310271514.db2.gz HLSLJBWQQPNYSG-GOSISDBHSA-N 1 0 326.396 3.436 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000455238019 310351615 /nfs/dbraw/zinc/35/16/15/310351615.db2.gz AZYJXLAHOBMGDK-UHFFFAOYSA-N 1 0 346.431 3.350 10 5 EGBERO CCCN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000513174094 312203464 /nfs/dbraw/zinc/20/34/64/312203464.db2.gz OLZSPDJJTFBZOO-UHFFFAOYSA-N 1 0 335.448 3.301 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1NCCCCC[NH+]1CCCC1 ZINC000514801616 312246492 /nfs/dbraw/zinc/24/64/92/312246492.db2.gz WLJPASGAUDYHJU-UHFFFAOYSA-N 1 0 328.416 3.243 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515870309 312302033 /nfs/dbraw/zinc/30/20/33/312302033.db2.gz VLMLFNJGPLFCRM-HIFRSBDPSA-N 1 0 331.416 3.057 10 5 EGBERO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539277436 314304251 /nfs/dbraw/zinc/30/42/51/314304251.db2.gz UOURBVHSWKIUPG-OAHLLOKOSA-N 1 0 330.384 3.341 10 5 EGBERO O=C(CC[NH2+][C@H]1C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548763677 315044803 /nfs/dbraw/zinc/04/48/03/315044803.db2.gz VRPMVVBBXQHSFC-ZBFHGGJFSA-N 1 0 325.368 3.069 10 5 EGBERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000553363894 315260297 /nfs/dbraw/zinc/26/02/97/315260297.db2.gz VVEYBNFGEFYSME-CZUORRHYSA-N 1 0 326.400 3.206 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000185110813 323688576 /nfs/dbraw/zinc/68/85/76/323688576.db2.gz RTHRVBDABVIAQJ-CYBMUJFWSA-N 1 0 348.428 3.429 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000388473663 324276046 /nfs/dbraw/zinc/27/60/46/324276046.db2.gz MPMQXEBIHIHUJH-CMPLNLGQSA-N 1 0 343.221 3.262 10 5 EGBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000577222760 324767066 /nfs/dbraw/zinc/76/70/66/324767066.db2.gz QMPUPXZZIVZCRR-UHFFFAOYSA-N 1 0 334.420 3.087 10 5 EGBERO C[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000582539416 325449936 /nfs/dbraw/zinc/44/99/36/325449936.db2.gz SZGVMTJLYXWKQQ-KKUMJFAQSA-N 1 0 333.432 3.077 10 5 EGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190450337 455320771 /nfs/dbraw/zinc/32/07/71/455320771.db2.gz IUEHLWNULMVIIK-OAHLLOKOSA-N 1 0 344.390 3.087 10 5 EGBERO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184167862 455358165 /nfs/dbraw/zinc/35/81/65/455358165.db2.gz MRATYBXWUOMPCO-LBPRGKRZSA-N 1 0 348.428 3.348 10 5 EGBERO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000011035731 453310811 /nfs/dbraw/zinc/31/08/11/453310811.db2.gz YZFPDCCXXJXQFZ-UHFFFAOYSA-N 1 0 327.384 3.104 10 5 EGBERO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066812956 453876332 /nfs/dbraw/zinc/87/63/32/453876332.db2.gz WFYDTJKDECDNOL-UHFFFAOYSA-N 1 0 340.427 3.338 10 5 EGBERO C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000078689477 454300589 /nfs/dbraw/zinc/30/05/89/454300589.db2.gz SOQBWOYFRAGBTA-OAHLLOKOSA-N 1 0 326.400 3.091 10 5 EGBERO CC[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090522952 454315859 /nfs/dbraw/zinc/31/58/59/454315859.db2.gz QNTLBVCMLDJTJI-YOEHRIQHSA-N 1 0 348.447 3.077 10 5 EGBERO CC[C@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090523482 454316309 /nfs/dbraw/zinc/31/63/09/454316309.db2.gz ICPXZKDAVKDKSG-YOEHRIQHSA-N 1 0 348.447 3.220 10 5 EGBERO COC(=O)c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC000137178653 454770998 /nfs/dbraw/zinc/77/09/98/454770998.db2.gz ZOUALZRGQPHBLI-UHFFFAOYSA-N 1 0 344.342 3.079 10 5 EGBERO CC[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176687996 454771567 /nfs/dbraw/zinc/77/15/67/454771567.db2.gz PKSMBBXEROPEON-QGZVFWFLSA-N 1 0 348.447 3.029 10 5 EGBERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000150856426 454902720 /nfs/dbraw/zinc/90/27/20/454902720.db2.gz MAGZRZZHVPQJOI-HZMBPMFUSA-N 1 0 340.811 3.098 10 5 EGBERO CC[N@@H+]1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323916 454923197 /nfs/dbraw/zinc/92/31/97/454923197.db2.gz VZNANTRHXJSTNN-CYBMUJFWSA-N 1 0 346.456 3.150 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151422855 454983156 /nfs/dbraw/zinc/98/31/56/454983156.db2.gz QBJZXAZBUNOAOG-SWLSCSKDSA-N 1 0 342.848 3.393 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000151501930 454994282 /nfs/dbraw/zinc/99/42/82/454994282.db2.gz WOFJGELSOTXXCD-AWEZNQCLSA-N 1 0 337.383 3.335 10 5 EGBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170969659 455008137 /nfs/dbraw/zinc/00/81/37/455008137.db2.gz LSMAIXBZYRHGBQ-OAHLLOKOSA-N 1 0 333.435 3.460 10 5 EGBERO COc1cccc(F)c1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000179925155 455100112 /nfs/dbraw/zinc/10/01/12/455100112.db2.gz MZXPMSBFBIULIG-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180148609 455139982 /nfs/dbraw/zinc/13/99/82/455139982.db2.gz XZIWBBREKSNVTC-ZWKOTPCHSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc(C[C@H](C)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000156890745 455155615 /nfs/dbraw/zinc/15/56/15/455155615.db2.gz KKWIYJOBGZFMFF-HNNXBMFYSA-N 1 0 341.411 3.405 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180404428 455164599 /nfs/dbraw/zinc/16/45/99/455164599.db2.gz ZYVYJEVULCUGJT-SNVBAGLBSA-N 1 0 335.310 3.162 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000183336920 455278777 /nfs/dbraw/zinc/27/87/77/455278777.db2.gz KTKREUADCCWBND-HNNXBMFYSA-N 1 0 347.459 3.278 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181528205 455349853 /nfs/dbraw/zinc/34/98/53/455349853.db2.gz OBJDXUJVFJOQGL-FZKQIMNGSA-N 1 0 345.443 3.425 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181528147 455349912 /nfs/dbraw/zinc/34/99/12/455349912.db2.gz OBJDXUJVFJOQGL-UGSOOPFHSA-N 1 0 345.443 3.425 10 5 EGBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817250 455385797 /nfs/dbraw/zinc/38/57/97/455385797.db2.gz BOKIFDVNYLISQD-RDJZCZTQSA-N 1 0 344.411 3.302 10 5 EGBERO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000184616835 455414304 /nfs/dbraw/zinc/41/43/04/455414304.db2.gz RVIZKCOWDSRHOK-JTQLQIEISA-N 1 0 325.796 3.355 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246012287 455414271 /nfs/dbraw/zinc/41/42/71/455414271.db2.gz TYKIBAWYZJNVQD-DZGCQCFKSA-N 1 0 334.420 3.097 10 5 EGBERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182176052 455453665 /nfs/dbraw/zinc/45/36/65/455453665.db2.gz GJDOGCZHMVETNE-WMLDXEAASA-N 1 0 344.411 3.248 10 5 EGBERO CNc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000253398532 455839971 /nfs/dbraw/zinc/83/99/71/455839971.db2.gz BTBKNRXFNYZHKT-KBRIMQKVSA-N 1 0 331.416 3.074 10 5 EGBERO O=C(NCCC[NH+]1CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000279106140 455858342 /nfs/dbraw/zinc/85/83/42/455858342.db2.gz SVXBIUSLOUDGDB-UHFFFAOYSA-N 1 0 349.434 3.309 10 5 EGBERO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000187680306 455938284 /nfs/dbraw/zinc/93/82/84/455938284.db2.gz YHDNYVWZVMRCMJ-KURKYZTESA-N 1 0 326.396 3.433 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000301936852 456254453 /nfs/dbraw/zinc/25/44/53/456254453.db2.gz VGQOXOWFNBNHSG-GFCCVEGCSA-N 1 0 325.384 3.276 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000352769784 456290556 /nfs/dbraw/zinc/29/05/56/456290556.db2.gz KJYOWXKRIYZSQL-OAHLLOKOSA-N 1 0 330.388 3.280 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H](O)C(F)F)s2)cc1 ZINC000601147622 460730588 /nfs/dbraw/zinc/73/05/88/460730588.db2.gz UUCDRBNPFXHEAL-ZDUSSCGKSA-N 1 0 342.367 3.429 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000292026303 456833854 /nfs/dbraw/zinc/83/38/54/456833854.db2.gz TWJKEUUGEWPASZ-CQSZACIVSA-N 1 0 326.400 3.208 10 5 EGBERO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347332503 457357757 /nfs/dbraw/zinc/35/77/57/457357757.db2.gz BYTVITYVEPENFS-SJKOYZFVSA-N 1 0 340.383 3.058 10 5 EGBERO COC(=O)c1cc(OCc2ccc3[nH]c(C)nc3c2)ccc1[N+](=O)[O-] ZINC000342652516 457430640 /nfs/dbraw/zinc/43/06/40/457430640.db2.gz AYKZISAJQFWWBG-UHFFFAOYSA-N 1 0 341.323 3.145 10 5 EGBERO Cn1cc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000352567104 457472643 /nfs/dbraw/zinc/47/26/43/457472643.db2.gz HPCQVRXIRSDFDE-IBGZPJMESA-N 1 0 336.395 3.250 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000370619674 457683077 /nfs/dbraw/zinc/68/30/77/457683077.db2.gz DOGMZIBWQMXTQS-CQSZACIVSA-N 1 0 326.396 3.084 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433082993 457753227 /nfs/dbraw/zinc/75/32/27/457753227.db2.gz NEYAQMIDKZOWIE-PIISCBOPSA-N 1 0 347.415 3.099 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1C ZINC000411274014 457845627 /nfs/dbraw/zinc/84/56/27/457845627.db2.gz CYRYPHOKUMEVBW-CYBMUJFWSA-N 1 0 335.404 3.197 10 5 EGBERO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCOC1 ZINC000426528327 457848600 /nfs/dbraw/zinc/84/86/00/457848600.db2.gz DPAHDUCTQHCCPQ-MRXNPFEDSA-N 1 0 346.383 3.092 10 5 EGBERO C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000411485786 457901238 /nfs/dbraw/zinc/90/12/38/457901238.db2.gz RKCLIFSQIAWESL-AWEZNQCLSA-N 1 0 333.432 3.332 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000375870685 458103704 /nfs/dbraw/zinc/10/37/04/458103704.db2.gz KLYCLZXBFCUBHY-OAHLLOKOSA-N 1 0 327.384 3.063 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000373203418 458429216 /nfs/dbraw/zinc/42/92/16/458429216.db2.gz ONAPBQAQYMZBLH-LPHOPBHVSA-N 1 0 342.395 3.341 10 5 EGBERO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCCC[C@H]21 ZINC000377761409 458515012 /nfs/dbraw/zinc/51/50/12/458515012.db2.gz LLBUEJBAMSNBQR-UEKVPHQBSA-N 1 0 337.807 3.450 10 5 EGBERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000471151571 458681340 /nfs/dbraw/zinc/68/13/40/458681340.db2.gz NELIFDTXKGYQON-RDTXWAMCSA-N 1 0 336.432 3.141 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)CCCCO)o2)c([N+](=O)[O-])c1 ZINC000471809420 458734410 /nfs/dbraw/zinc/73/44/10/458734410.db2.gz KGKFQNNJRWJPHI-UHFFFAOYSA-N 1 0 334.372 3.068 10 5 EGBERO C[S@](=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442810396 459040413 /nfs/dbraw/zinc/04/04/13/459040413.db2.gz NFWQZJOTSLFBRD-OSPHWJPCSA-N 1 0 344.436 3.185 10 5 EGBERO CN1C[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C1 ZINC000590052771 459071735 /nfs/dbraw/zinc/07/17/35/459071735.db2.gz LFOFBXNEKGVLIB-PBHICJAKSA-N 1 0 343.452 3.459 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000594517063 459074128 /nfs/dbraw/zinc/07/41/28/459074128.db2.gz UUZRTOOGUDLOOD-UHFFFAOYSA-N 1 0 333.432 3.030 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000594740401 459147962 /nfs/dbraw/zinc/14/79/62/459147962.db2.gz YAXBUCPBBKXHDE-GOSISDBHSA-N 1 0 327.384 3.176 10 5 EGBERO COC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000594956489 459192715 /nfs/dbraw/zinc/19/27/15/459192715.db2.gz IZULRYBKJGQQGU-QGZVFWFLSA-N 1 0 336.432 3.249 10 5 EGBERO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000594966924 459198123 /nfs/dbraw/zinc/19/81/23/459198123.db2.gz DGXCDHZUYWPOJC-LBPRGKRZSA-N 1 0 338.404 3.061 10 5 EGBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000594970108 459201239 /nfs/dbraw/zinc/20/12/39/459201239.db2.gz CLISDQMGPHUPRM-KPZWWZAWSA-N 1 0 340.379 3.279 10 5 EGBERO C[C@@H]1CCCCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628671 459209402 /nfs/dbraw/zinc/20/94/02/459209402.db2.gz YTCFZGQGBMUVNA-CRAIPNDOSA-N 1 0 331.460 3.380 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000595055132 459229628 /nfs/dbraw/zinc/22/96/28/459229628.db2.gz TUEIZIGQJCBICW-VQCLRJIVSA-N 1 0 333.432 3.271 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595062690 459233023 /nfs/dbraw/zinc/23/30/23/459233023.db2.gz OBXUACNNSVPSEK-JYYAWHABSA-N 1 0 336.432 3.120 10 5 EGBERO CC1(C)[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1(F)F ZINC000595091856 459241615 /nfs/dbraw/zinc/24/16/15/459241615.db2.gz KARUPQWQMDIOGT-TUAOUCFPSA-N 1 0 328.363 3.156 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595094977 459243238 /nfs/dbraw/zinc/24/32/38/459243238.db2.gz RZYYOXDHUHZNHL-ZWNOBZJWSA-N 1 0 341.358 3.193 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000595477453 459317023 /nfs/dbraw/zinc/31/70/23/459317023.db2.gz SZFQQWMODPCUBF-SJLPKXTDSA-N 1 0 329.375 3.269 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000568757197 459339765 /nfs/dbraw/zinc/33/97/65/459339765.db2.gz CCDANMQNPDJCFI-UHFFFAOYSA-N 1 0 340.427 3.135 10 5 EGBERO COC(=O)COc1ccc(C[NH2+]C(C)(C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000560555583 459372806 /nfs/dbraw/zinc/37/28/06/459372806.db2.gz ZDKIARZJLJSZIB-UHFFFAOYSA-N 1 0 338.404 3.061 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C(C)(C)CC)c([N+](=O)[O-])c1 ZINC000595638556 459378671 /nfs/dbraw/zinc/37/86/71/459378671.db2.gz IICULIDDBAJIEU-GFCCVEGCSA-N 1 0 337.420 3.346 10 5 EGBERO CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595692809 459399183 /nfs/dbraw/zinc/39/91/83/459399183.db2.gz QPLJECFSILEUBE-GDBMZVCRSA-N 1 0 348.447 3.218 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)CCN(C)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000540925866 459403610 /nfs/dbraw/zinc/40/36/10/459403610.db2.gz AIHPMXPKVBJWCD-AWEZNQCLSA-N 1 0 342.399 3.002 10 5 EGBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595705213 459406196 /nfs/dbraw/zinc/40/61/96/459406196.db2.gz DWOFUQWWGHPMIK-ZJNRKIDTSA-N 1 0 339.395 3.240 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CCF)C3)o2)cc1 ZINC000595754781 459426737 /nfs/dbraw/zinc/42/67/37/459426737.db2.gz BULYXKDKUJFSQN-LBPRGKRZSA-N 1 0 334.351 3.216 10 5 EGBERO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000561379357 459448500 /nfs/dbraw/zinc/44/85/00/459448500.db2.gz GXNZPGQUPWQICN-KRWDZBQOSA-N 1 0 331.416 3.413 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595828179 459455956 /nfs/dbraw/zinc/45/59/56/459455956.db2.gz VCYDOYABTWDZEV-ZYHUDNBSSA-N 1 0 330.306 3.082 10 5 EGBERO COCC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000595907599 459481439 /nfs/dbraw/zinc/48/14/39/459481439.db2.gz BPMNDVPFLPOBLY-UHFFFAOYSA-N 1 0 349.431 3.171 10 5 EGBERO COCC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCCC1 ZINC000595910610 459482157 /nfs/dbraw/zinc/48/21/57/459482157.db2.gz KYPXDVCVNBCWDA-UHFFFAOYSA-N 1 0 346.387 3.084 10 5 EGBERO COc1cc(N2CCC([NH2+]C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596103022 459522130 /nfs/dbraw/zinc/52/21/30/459522130.db2.gz ADNGCGWPXVZKNW-UHFFFAOYSA-N 1 0 327.812 3.224 10 5 EGBERO C[N@@H+]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000592376391 459584842 /nfs/dbraw/zinc/58/48/42/459584842.db2.gz IWBWPHRRZNLMNL-AEFFLSMTSA-N 1 0 343.402 3.169 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596309372 459591848 /nfs/dbraw/zinc/59/18/48/459591848.db2.gz ZYQIDIPXILPEKX-NSHDSACASA-N 1 0 329.347 3.481 10 5 EGBERO Cc1cccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596423223 459632801 /nfs/dbraw/zinc/63/28/01/459632801.db2.gz KGHLGTDVZQOSKE-KRWDZBQOSA-N 1 0 341.411 3.082 10 5 EGBERO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754491 459842464 /nfs/dbraw/zinc/84/24/64/459842464.db2.gz PQSZBCPIPFOOIL-INIZCTEOSA-N 1 0 344.411 3.202 10 5 EGBERO C[C@@]12COC[C@@H]1C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000597211068 459879562 /nfs/dbraw/zinc/87/95/62/459879562.db2.gz KVSRAXJSQVQFRI-SUMWQHHRSA-N 1 0 345.424 3.187 10 5 EGBERO C[N@@H+]1CCC[C@@]2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000593472952 459899954 /nfs/dbraw/zinc/89/99/54/459899954.db2.gz MKDUSCUIXHEFTM-GOSISDBHSA-N 1 0 326.400 3.065 10 5 EGBERO CC[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725197 459965077 /nfs/dbraw/zinc/96/50/77/459965077.db2.gz HVOUHYTTYVMXDT-SJORKVTESA-N 1 0 341.411 3.412 10 5 EGBERO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCCO1 ZINC000594041509 460069079 /nfs/dbraw/zinc/06/90/79/460069079.db2.gz DVCRVNDZHDCQTC-HUUCEWRRSA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N(CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602804047 460137742 /nfs/dbraw/zinc/13/77/42/460137742.db2.gz HJFHBIXMWAPMII-CYBMUJFWSA-N 1 0 347.337 3.046 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599073110 460151732 /nfs/dbraw/zinc/15/17/32/460151732.db2.gz DUVBJVLFWUVXDZ-XJKSGUPXSA-N 1 0 333.432 3.271 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599077891 460154343 /nfs/dbraw/zinc/15/43/43/460154343.db2.gz AJKISBVCYWYAKR-CQSZACIVSA-N 1 0 333.432 3.202 10 5 EGBERO Cc1cc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000610468912 460158815 /nfs/dbraw/zinc/15/88/15/460158815.db2.gz UUOWPIRINNXIPM-INIZCTEOSA-N 1 0 340.427 3.399 10 5 EGBERO Cc1cc(N2C[C@@H]3CCC[C@]3(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599173978 460187091 /nfs/dbraw/zinc/18/70/91/460187091.db2.gz HHLGZXRQTXZWJI-SCLBCKFNSA-N 1 0 327.384 3.050 10 5 EGBERO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610830966 460245357 /nfs/dbraw/zinc/24/53/57/460245357.db2.gz RQQPFQXCACKZRD-KBPBESRZSA-N 1 0 342.399 3.100 10 5 EGBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC2(CC2)CC1 ZINC000599672970 460305555 /nfs/dbraw/zinc/30/55/55/460305555.db2.gz LENHHVVUJRLVBR-UHFFFAOYSA-N 1 0 345.399 3.159 10 5 EGBERO COC(=O)C1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000599697510 460314464 /nfs/dbraw/zinc/31/44/64/460314464.db2.gz RJECJTAOCOPHHJ-GHMZBOCLSA-N 1 0 340.807 3.410 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000611258927 460320920 /nfs/dbraw/zinc/32/09/20/460320920.db2.gz JIYSPYGTZNUSFO-UHFFFAOYSA-N 1 0 327.384 3.248 10 5 EGBERO CCC[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000611415387 460360292 /nfs/dbraw/zinc/36/02/92/460360292.db2.gz XCNORWIWRINQBM-KRWDZBQOSA-N 1 0 340.427 3.481 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000611515387 460384775 /nfs/dbraw/zinc/38/47/75/460384775.db2.gz YSQXZIXPHQLIAJ-OAHLLOKOSA-N 1 0 342.399 3.081 10 5 EGBERO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600469450 460500302 /nfs/dbraw/zinc/50/03/02/460500302.db2.gz BFLUKWVTKIOYRE-QGZVFWFLSA-N 1 0 345.443 3.006 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000601217710 460754609 /nfs/dbraw/zinc/75/46/09/460754609.db2.gz MPMNFXPZHJOFRC-UHFFFAOYSA-N 1 0 332.448 3.451 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000174188442 528964810 /nfs/dbraw/zinc/96/48/10/528964810.db2.gz UGTVSHZJOXDDAY-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181530864 529154688 /nfs/dbraw/zinc/15/46/88/529154688.db2.gz ODZVNHCTQWSHMS-QGZVFWFLSA-N 1 0 345.374 3.091 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000175044234 529304673 /nfs/dbraw/zinc/30/46/73/529304673.db2.gz AJAGKROLLGKJDY-UONOGXRCSA-N 1 0 349.456 3.016 10 5 EGBERO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000735220534 575617736 /nfs/dbraw/zinc/61/77/36/575617736.db2.gz XXNCCFJPOONVEL-KRWDZBQOSA-N 1 0 340.379 3.335 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000870272039 1295778649 /nfs/dbraw/zinc/77/86/49/1295778649.db2.gz ZAXPCNACRNRDOM-UHFFFAOYSA-N 1 0 349.406 3.215 10 5 EGBERO COc1cccc(C(=O)O[C@H](C)C[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000870784715 1296077776 /nfs/dbraw/zinc/07/77/76/1296077776.db2.gz JZEOOYSAPOOVAN-CHWSQXEVSA-N 1 0 336.388 3.023 10 5 EGBERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227686791 1296145119 /nfs/dbraw/zinc/14/51/19/1296145119.db2.gz CBRNIZFJFDPXCI-SNVBAGLBSA-N 1 0 343.811 3.251 10 5 EGBERO Cc1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000870962766 1296157497 /nfs/dbraw/zinc/15/74/97/1296157497.db2.gz QCLDPWLICNHUAA-QGZVFWFLSA-N 1 0 341.411 3.246 10 5 EGBERO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872022223 1296666276 /nfs/dbraw/zinc/66/62/76/1296666276.db2.gz HVIQSCDQXODRLC-LBPRGKRZSA-N 1 0 325.384 3.033 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000872090655 1296728879 /nfs/dbraw/zinc/72/88/79/1296728879.db2.gz DMPRNJUFUZJARS-ZRKHILAZSA-N 1 0 334.441 3.391 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOC(F)(F)C(F)(F)F ZINC000872110456 1296736630 /nfs/dbraw/zinc/73/66/30/1296736630.db2.gz ITDLUSXYHAUZMO-SNVBAGLBSA-N 1 0 340.248 3.343 10 5 EGBERO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000872110497 1296736834 /nfs/dbraw/zinc/73/68/34/1296736834.db2.gz JPKWRLYYSKXMAH-MRVPVSSYSA-N 1 0 328.237 3.417 10 5 EGBERO CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCOC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000872113665 1296739979 /nfs/dbraw/zinc/73/99/79/1296739979.db2.gz QLJRXSVCKJMYFT-BLLLJJGKSA-N 1 0 332.400 3.250 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000881813842 1301729610 /nfs/dbraw/zinc/72/96/10/1301729610.db2.gz FAYXUKVCKQQHJM-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000882001200 1301779925 /nfs/dbraw/zinc/77/99/25/1301779925.db2.gz MMVWRTUQCVULMH-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883270479 1302347517 /nfs/dbraw/zinc/34/75/17/1302347517.db2.gz PCKQDKMDLDPVHN-OEXZBZRSSA-N 1 0 330.384 3.032 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000886302745 1303428167 /nfs/dbraw/zinc/42/81/67/1303428167.db2.gz VFXRJKXBMYFWBJ-QGZVFWFLSA-N 1 0 334.416 3.050 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000886716106 1303577897 /nfs/dbraw/zinc/57/78/97/1303577897.db2.gz NZRRQXDVOTYBHW-XJKSGUPXSA-N 1 0 349.431 3.107 10 5 EGBERO Cc1cc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000893022972 1305663865 /nfs/dbraw/zinc/66/38/65/1305663865.db2.gz FKMMGAMBRLUSSW-GOEBONIOSA-N 1 0 333.432 3.238 10 5 EGBERO [NH3+][C@H]1CC[C@H](N(Cc2ccc([N+](=O)[O-])cc2)c2ccccn2)CC1 ZINC000895110964 1309195481 /nfs/dbraw/zinc/19/54/81/1309195481.db2.gz FTJLVFBCVYBOHL-WKILWMFISA-N 1 0 326.400 3.266 10 5 EGBERO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000857931947 1328631983 /nfs/dbraw/zinc/63/19/83/1328631983.db2.gz OKDSGBYGBIYLCM-ZDUSSCGKSA-N 1 0 345.424 3.180 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000858212576 1328712555 /nfs/dbraw/zinc/71/25/55/1328712555.db2.gz WMHSKBYWSMGXPJ-INIZCTEOSA-N 1 0 332.787 3.479 10 5 EGBERO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858233034 1328717577 /nfs/dbraw/zinc/71/75/77/1328717577.db2.gz CXWGKPPLCYCXJM-UHFFFAOYSA-N 1 0 339.395 3.105 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858509819 1328784543 /nfs/dbraw/zinc/78/45/43/1328784543.db2.gz SPBJDXDRNVSYHL-RHSMWYFYSA-N 1 0 330.384 3.214 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccns1 ZINC000858579374 1328798622 /nfs/dbraw/zinc/79/86/22/1328798622.db2.gz UNYQVDGTFBVCMO-GHMZBOCLSA-N 1 0 334.401 3.119 10 5 EGBERO COC(=O)/C=C\c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000914786429 1319378591 /nfs/dbraw/zinc/37/85/91/1319378591.db2.gz WLBCVHDOEVMTCF-CLFYSBASSA-N 1 0 347.415 3.069 10 5 EGBERO CC(=O)NCCCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636107 1328921735 /nfs/dbraw/zinc/92/17/35/1328921735.db2.gz CZKQXGYJAYGQPP-KRWDZBQOSA-N 1 0 333.432 3.081 10 5 EGBERO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859116484 1328926216 /nfs/dbraw/zinc/92/62/16/1328926216.db2.gz JEBHBHGZYMKPQQ-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922461258 1322533468 /nfs/dbraw/zinc/53/34/68/1322533468.db2.gz KQVXKCZHTHMLHF-GXTWGEPZSA-N 1 0 348.321 3.193 10 5 EGBERO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCSC1 ZINC000922572717 1322560360 /nfs/dbraw/zinc/56/03/60/1322560360.db2.gz ZSTAAQMYFWPBHP-QGZVFWFLSA-N 1 0 348.424 3.467 10 5 EGBERO Cc1ccc(CN[C@@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000922629119 1322574625 /nfs/dbraw/zinc/57/46/25/1322574625.db2.gz HVSXQGMXGFHRIS-KRWDZBQOSA-N 1 0 328.416 3.081 10 5 EGBERO C[C@H]1CC2(CC([NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CO1 ZINC000926440426 1325556277 /nfs/dbraw/zinc/55/62/77/1325556277.db2.gz PVCCQDNECLMQTO-DTVQEZCTSA-N 1 0 329.400 3.166 10 5 EGBERO CC1(C)C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2cc([N+](=O)[O-])ccc21 ZINC000926935434 1327784435 /nfs/dbraw/zinc/78/44/35/1327784435.db2.gz LZOHDUALXREAAH-HRJSJKBJSA-N 1 0 328.412 3.498 10 5 EGBERO CN(C)[C@@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000926959555 1327798078 /nfs/dbraw/zinc/79/80/78/1327798078.db2.gz BZSHXDSBKQSPIQ-CABCVRRESA-N 1 0 345.365 3.444 10 5 EGBERO Cc1c([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926964800 1327801380 /nfs/dbraw/zinc/80/13/80/1327801380.db2.gz UCUQEBBAZSNASQ-SMDDNHRTSA-N 1 0 333.354 3.436 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927014538 1327821464 /nfs/dbraw/zinc/82/14/64/1327821464.db2.gz OGVBPBKPABLAMA-ZBFHGGJFSA-N 1 0 334.416 3.282 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927058690 1327833662 /nfs/dbraw/zinc/83/36/62/1327833662.db2.gz SWPYDNVERLBEKS-WNOSKKOXSA-N 1 0 334.416 3.188 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000862466505 1329488783 /nfs/dbraw/zinc/48/87/83/1329488783.db2.gz ZNERCWMJHXZBDO-CYBMUJFWSA-N 1 0 342.351 3.206 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863032611 1329525013 /nfs/dbraw/zinc/52/50/13/1329525013.db2.gz QBCZOJCEBRSCSR-QIXNEVBVSA-N 1 0 343.427 3.131 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)CC1 ZINC000866055043 1330060451 /nfs/dbraw/zinc/06/04/51/1330060451.db2.gz MXOUBTWYHYOETJ-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866530344 1330122392 /nfs/dbraw/zinc/12/23/92/1330122392.db2.gz KHPWEINKAFIAPC-KBPBESRZSA-N 1 0 334.416 3.461 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867989006 1330237079 /nfs/dbraw/zinc/23/70/79/1330237079.db2.gz ZHVFGIFHJYDAJL-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO Cc1cc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)ccc1[N+](=O)[O-] ZINC000867992109 1330238350 /nfs/dbraw/zinc/23/83/50/1330238350.db2.gz WISBUDMEAOWZJI-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO CC1(C)C[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC(C)(C)C1 ZINC001193104396 1367945387 /nfs/dbraw/zinc/94/53/87/1367945387.db2.gz RNFATBHYZWIYJW-UHFFFAOYSA-N 1 0 345.443 3.242 10 5 EGBERO C/C(=C/c1ccccc1)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001203372268 1370102374 /nfs/dbraw/zinc/10/23/74/1370102374.db2.gz GXVTWZLIPBGZOO-HVEPWOEZSA-N 1 0 326.396 3.495 10 5 EGBERO CCC(=CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)CC ZINC001326811113 1388318299 /nfs/dbraw/zinc/31/82/99/1388318299.db2.gz VOYODDKJNRYPQJ-UHFFFAOYSA-N 1 0 345.443 3.470 10 5 EGBERO C/C=C(\C)C(=O)N1CCC(CC)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001327443288 1388521089 /nfs/dbraw/zinc/52/10/89/1388521089.db2.gz XVZPLVPPEVYEMK-SYZQJQIISA-N 1 0 345.443 3.422 10 5 EGBERO CCC[N@@H+]1CCC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001151770446 1379776607 /nfs/dbraw/zinc/77/66/07/1379776607.db2.gz UPSREMZXKDLPBT-MRXNPFEDSA-N 1 0 345.443 3.208 10 5 EGBERO C[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167544891 1383663319 /nfs/dbraw/zinc/66/33/19/1383663319.db2.gz XXWULIMTDIQZFV-AWEZNQCLSA-N 1 0 339.395 3.370 10 5 EGBERO CC1CC[NH+]([C@H](CNc2c([N+](=O)[O-])cnn2C)c2cccs2)CC1 ZINC001306908565 1383919349 /nfs/dbraw/zinc/91/93/49/1383919349.db2.gz JNZAGEZQJQCGLZ-CYBMUJFWSA-N 1 0 349.460 3.275 10 5 EGBERO C[C@]12CN(c3ncc([N+](=O)[O-])s3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001307201568 1383955076 /nfs/dbraw/zinc/95/50/76/1383955076.db2.gz BIURYYVKPQXDNS-PBHICJAKSA-N 1 0 344.440 3.010 10 5 EGBERO CCc1ccccc1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999573 1384071615 /nfs/dbraw/zinc/07/16/15/1384071615.db2.gz KKRMMTKBZMDDRJ-IBGZPJMESA-N 1 0 328.412 3.197 10 5 EGBERO COCC1([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC001308056087 1384082682 /nfs/dbraw/zinc/08/26/82/1384082682.db2.gz HMBXFIBQOAIRPF-UHFFFAOYSA-N 1 0 343.221 3.358 10 5 EGBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC001169507116 1384155471 /nfs/dbraw/zinc/15/54/71/1384155471.db2.gz KATYZXBUKXERLD-UHFFFAOYSA-N 1 0 336.432 3.381 10 5 EGBERO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001176037861 1385468562 /nfs/dbraw/zinc/46/85/62/1385468562.db2.gz YOKXTVOQMRXCDH-JTQLQIEISA-N 1 0 335.310 3.162 10 5 EGBERO CC/C=C(/C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001698626018 1406267249 /nfs/dbraw/zinc/26/72/49/1406267249.db2.gz CVKVJUKAHSRYNN-CHHVJCJISA-N 1 0 345.443 3.470 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C=C1CCCCC1 ZINC001320690743 1386692656 /nfs/dbraw/zinc/69/26/56/1386692656.db2.gz BJSXVWYDKDUEPB-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO C[C@H]1C[C@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC001330029442 1389288220 /nfs/dbraw/zinc/28/82/20/1389288220.db2.gz KFXOEVCQLKEQMQ-WDEREUQCSA-N 1 0 349.822 3.110 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001331472209 1389762486 /nfs/dbraw/zinc/76/24/86/1389762486.db2.gz MFWIPKLIYQTOJM-LJQANCHMSA-N 1 0 342.395 3.087 10 5 EGBERO COc1ccc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC001334934961 1390623263 /nfs/dbraw/zinc/62/32/63/1390623263.db2.gz MRFWFCGJTSOFHR-QGZVFWFLSA-N 1 0 327.384 3.208 10 5 EGBERO CCc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001481253178 1393153657 /nfs/dbraw/zinc/15/36/57/1393153657.db2.gz ACALKWZMTRPOHZ-UHFFFAOYSA-N 1 0 347.440 3.081 10 5 EGBERO CCC(C)(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691706124 1405435371 /nfs/dbraw/zinc/43/53/71/1405435371.db2.gz MDOORUCFKJYTQB-FZNQNYSPSA-N 1 0 347.459 3.406 10 5 EGBERO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001732023661 1428241533 /nfs/dbraw/zinc/24/15/33/1428241533.db2.gz HWVAXSXBWMUYEF-BUKFFHEGSA-N 1 0 343.427 3.126 10 5 EGBERO C/C=C(\C)C(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001732227133 1428475251 /nfs/dbraw/zinc/47/52/51/1428475251.db2.gz FMCZOTVSACIPNM-LZWSPWQCSA-N 1 0 331.416 3.080 10 5 EGBERO CC1(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001732311436 1428524365 /nfs/dbraw/zinc/52/43/65/1428524365.db2.gz PSFHNVVUXFIWKM-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CCCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001699660147 1413043178 /nfs/dbraw/zinc/04/31/78/1413043178.db2.gz OIHVRYDYHPCAAJ-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC/C(C)=C\C(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001700275948 1413721081 /nfs/dbraw/zinc/72/10/81/1413721081.db2.gz LHVGAUYGXTZARI-SQFISAMPSA-N 1 0 345.443 3.422 10 5 EGBERO CC(C)=C(C)CC(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001732888778 1429029943 /nfs/dbraw/zinc/02/99/43/1429029943.db2.gz XGHNFWIKWXSPKU-SNAWJCMRSA-N 1 0 331.416 3.103 10 5 EGBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\C(C)(C)C ZINC001733091196 1429239534 /nfs/dbraw/zinc/23/95/34/1429239534.db2.gz CPCLIXGODRTIFH-KHPPLWFESA-N 1 0 333.432 3.135 10 5 EGBERO CC(C)C(C)(C)C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001733103638 1429243879 /nfs/dbraw/zinc/24/38/79/1429243879.db2.gz JVLYIBWMUFNVLO-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CCCC(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001715159351 1419901402 /nfs/dbraw/zinc/90/14/02/1419901402.db2.gz GANKCVRBNPOIIY-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)cs1 ZINC001716215579 1420569338 /nfs/dbraw/zinc/56/93/38/1420569338.db2.gz ADPWPXWHIFQZNH-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CCCC(=O)NCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001716882722 1421006810 /nfs/dbraw/zinc/00/68/10/1421006810.db2.gz WECYLCPOXCRJJF-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC(C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)=C1CCC1 ZINC001724785233 1425151479 /nfs/dbraw/zinc/15/14/79/1425151479.db2.gz YUHQILYBOVNTMI-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO CCC[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731868210 1428118634 /nfs/dbraw/zinc/11/86/34/1428118634.db2.gz FBFGZJAFKANSRF-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178446021 232168265 /nfs/dbraw/zinc/16/82/65/232168265.db2.gz YCIKAZCAKIUEKH-DYVFJYSZSA-N 1 0 330.384 3.296 10 5 EGBERO CC(C)C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000040051451 213255590 /nfs/dbraw/zinc/25/55/90/213255590.db2.gz DISKLYRRARZRTG-MRXNPFEDSA-N 1 0 334.420 3.227 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000191354668 239060204 /nfs/dbraw/zinc/06/02/04/239060204.db2.gz VPQUIRGWAAWHFF-OAHLLOKOSA-N 1 0 346.431 3.304 10 5 EGBERO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000266431521 248298231 /nfs/dbraw/zinc/29/82/31/248298231.db2.gz DIFWCLBHXNTTJP-STQMWFEESA-N 1 0 335.404 3.255 10 5 EGBERO CCC(=O)N1CC[C@H](Nc2cc(CC)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000095997139 218501806 /nfs/dbraw/zinc/50/18/06/218501806.db2.gz BFRBWHKIIGVUJB-ZDUSSCGKSA-N 1 0 342.399 3.128 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000338046038 141080549 /nfs/dbraw/zinc/08/05/49/141080549.db2.gz JGBBYAMZYMCDFH-ACJLOTCBSA-N 1 0 333.432 3.144 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000172169038 144017134 /nfs/dbraw/zinc/01/71/34/144017134.db2.gz GNKCNCVTMPWHAG-VXGBXAGGSA-N 1 0 335.404 3.099 10 5 EGBERO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188073789 144167943 /nfs/dbraw/zinc/16/79/43/144167943.db2.gz LXAYCVBWXJCKJT-OLZOCXBDSA-N 1 0 336.388 3.003 10 5 EGBERO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000375636677 144614095 /nfs/dbraw/zinc/61/40/95/144614095.db2.gz VJOYIGPDQIJJMW-UAGQMJEPSA-N 1 0 345.443 3.427 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000372772490 157379791 /nfs/dbraw/zinc/37/97/91/157379791.db2.gz KYLKBSLPELCRGM-MRXNPFEDSA-N 1 0 328.416 3.328 10 5 EGBERO Cc1nn(C)c(C)c1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000177744021 162644960 /nfs/dbraw/zinc/64/49/60/162644960.db2.gz DHBSBLZQDRBIJS-GOSISDBHSA-N 1 0 342.443 3.099 10 5 EGBERO COc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000343637213 164000711 /nfs/dbraw/zinc/00/07/11/164000711.db2.gz XZJRXYDOKCZASM-UHFFFAOYSA-N 1 0 345.374 3.063 10 5 EGBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000345873097 164284271 /nfs/dbraw/zinc/28/42/71/164284271.db2.gz FSGKWCRDXUZJBG-UHFFFAOYSA-N 1 0 335.448 3.343 10 5 EGBERO CC1(C)C[C@H]([NH2+]C[C@@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000348204243 164660501 /nfs/dbraw/zinc/66/05/01/164660501.db2.gz FZEQHTIWPKAQSB-KSSFIOAISA-N 1 0 341.411 3.078 10 5 EGBERO COc1cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000360222688 167275507 /nfs/dbraw/zinc/27/55/07/167275507.db2.gz UYDHEJINEDKKPE-YYUOZPCZSA-N 1 0 348.424 3.192 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000368057939 168305253 /nfs/dbraw/zinc/30/52/53/168305253.db2.gz OYQSNZGMDAHRAX-FUHWJXTLSA-N 1 0 347.365 3.408 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116296062 275189393 /nfs/dbraw/zinc/18/93/93/275189393.db2.gz CIQLNMKPPVZQOI-OAHLLOKOSA-N 1 0 329.356 3.354 10 5 EGBERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000289755370 276388766 /nfs/dbraw/zinc/38/87/66/276388766.db2.gz RLDAUGVSJMAKCK-MNOVXSKESA-N 1 0 340.811 3.195 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000360918606 290448790 /nfs/dbraw/zinc/44/87/90/290448790.db2.gz KJIQIDZUKSDDSD-SUMWQHHRSA-N 1 0 327.384 3.123 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)o1 ZINC000414568716 309090084 /nfs/dbraw/zinc/09/00/84/309090084.db2.gz HYFMDHVOXUQQGO-UONOGXRCSA-N 1 0 330.384 3.496 10 5 EGBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415690766 309141175 /nfs/dbraw/zinc/14/11/75/309141175.db2.gz LOAYENQJAHBUSE-BXUZGUMPSA-N 1 0 334.420 3.012 10 5 EGBERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313847 309201395 /nfs/dbraw/zinc/20/13/95/309201395.db2.gz QEMYZNWYHRNLOS-IEBWSBKVSA-N 1 0 347.459 3.063 10 5 EGBERO CC1(C)C[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000421851967 309343505 /nfs/dbraw/zinc/34/35/05/309343505.db2.gz GUJJCMFCBJSCCA-DCGLDWPTSA-N 1 0 345.443 3.199 10 5 EGBERO Cc1ccnc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000432926593 309673346 /nfs/dbraw/zinc/67/33/46/309673346.db2.gz YCMCQUUXRNBANO-AWEZNQCLSA-N 1 0 328.372 3.427 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)n1 ZINC000432939686 309673661 /nfs/dbraw/zinc/67/36/61/309673661.db2.gz RTLRCXAPXVSJIG-CQSZACIVSA-N 1 0 328.372 3.427 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000436280374 309751627 /nfs/dbraw/zinc/75/16/27/309751627.db2.gz CVGMILDDLVZHJW-IKGGRYGDSA-N 1 0 346.427 3.237 10 5 EGBERO CCc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447529207 309980947 /nfs/dbraw/zinc/98/09/47/309980947.db2.gz KWCRQNUHYHMNIQ-KBPBESRZSA-N 1 0 349.460 3.126 10 5 EGBERO Cc1cc(N2CCC[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450883843 310147737 /nfs/dbraw/zinc/14/77/37/310147737.db2.gz QUHBGKSRMORFBV-GOSISDBHSA-N 1 0 327.384 3.458 10 5 EGBERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000452095879 310211879 /nfs/dbraw/zinc/21/18/79/310211879.db2.gz WORXQZFHBUUIAH-KBXCAEBGSA-N 1 0 339.395 3.359 10 5 EGBERO CCCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453347408 310272189 /nfs/dbraw/zinc/27/21/89/310272189.db2.gz ANNQRMZPGRUURX-KGLIPLIRSA-N 1 0 333.392 3.005 10 5 EGBERO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488765152 311079160 /nfs/dbraw/zinc/07/91/60/311079160.db2.gz HJXOXRWNLXVYQY-AWEZNQCLSA-N 1 0 340.427 3.454 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000491411829 311177674 /nfs/dbraw/zinc/17/76/74/311177674.db2.gz BDMVRDMJEOZEOD-UHFFFAOYSA-N 1 0 337.379 3.045 10 5 EGBERO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532134341 313758781 /nfs/dbraw/zinc/75/87/81/313758781.db2.gz IXYKCGFOWCEXRD-UHFFFAOYSA-N 1 0 328.372 3.084 10 5 EGBERO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537075203 314159359 /nfs/dbraw/zinc/15/93/59/314159359.db2.gz KKBVCUBTVTVLQQ-CHWSQXEVSA-N 1 0 345.374 3.262 10 5 EGBERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000553363892 315260191 /nfs/dbraw/zinc/26/01/91/315260191.db2.gz VVEYBNFGEFYSME-BBRMVZONSA-N 1 0 326.400 3.206 10 5 EGBERO CC[C@H]1C[C@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000564120010 316115068 /nfs/dbraw/zinc/11/50/68/316115068.db2.gz FTXVAHOXVZKYAU-CJNGLKHVSA-N 1 0 331.416 3.413 10 5 EGBERO C[N@@H+]1CCCC12CCN(c1c3ccccc3ncc1[N+](=O)[O-])CC2 ZINC000580750168 325290794 /nfs/dbraw/zinc/29/07/94/325290794.db2.gz ZKARTJBOLYVOKM-UHFFFAOYSA-N 1 0 326.400 3.208 10 5 EGBERO COCC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583835352 325555220 /nfs/dbraw/zinc/55/52/20/325555220.db2.gz AULZLSJGKOEQDK-CXAGYDPISA-N 1 0 331.416 3.413 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000183311555 455276243 /nfs/dbraw/zinc/27/62/43/455276243.db2.gz MBDMZMIZUILLTD-OAHLLOKOSA-N 1 0 347.459 3.276 10 5 EGBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181254084 455308018 /nfs/dbraw/zinc/30/80/18/455308018.db2.gz GDOFCLQNOVHTPB-CQSZACIVSA-N 1 0 349.456 3.016 10 5 EGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190450318 455320582 /nfs/dbraw/zinc/32/05/82/455320582.db2.gz IUEHLWNULMVIIK-HNNXBMFYSA-N 1 0 344.390 3.087 10 5 EGBERO COC(=O)c1cc(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)cc([N+](=O)[O-])c1 ZINC000600787902 460603979 /nfs/dbraw/zinc/60/39/79/460603979.db2.gz HRGOAHVBGDEGDJ-AWEZNQCLSA-N 1 0 340.379 3.200 10 5 EGBERO Cc1sc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000054286531 453920854 /nfs/dbraw/zinc/92/08/54/453920854.db2.gz KAEKORPMJTWFOG-NSHDSACASA-N 1 0 339.461 3.205 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068255500 454011701 /nfs/dbraw/zinc/01/17/01/454011701.db2.gz WGFWXHHRWVWDJL-ZDUSSCGKSA-N 1 0 332.429 3.325 10 5 EGBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000090010421 454261965 /nfs/dbraw/zinc/26/19/65/454261965.db2.gz OAJFYDFGQNKTJT-QGZVFWFLSA-N 1 0 328.416 3.279 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068733 454270910 /nfs/dbraw/zinc/27/09/10/454270910.db2.gz YOTAHBTUFVPDSV-LRDDRELGSA-N 1 0 347.440 3.402 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246138789 455435179 /nfs/dbraw/zinc/43/51/79/455435179.db2.gz NKFCCPNZEXKUDU-CABCVRRESA-N 1 0 326.400 3.485 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000120511979 454312437 /nfs/dbraw/zinc/31/24/37/454312437.db2.gz UHGPSGQPXUVNSI-ZDUSSCGKSA-N 1 0 343.383 3.201 10 5 EGBERO Cc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090519439 454315296 /nfs/dbraw/zinc/31/52/96/454315296.db2.gz ONTOYWMMBPDBJS-SFHVURJKSA-N 1 0 341.411 3.210 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000080651559 454612191 /nfs/dbraw/zinc/61/21/91/454612191.db2.gz CMSHWJSVOIDEQR-LBPRGKRZSA-N 1 0 325.384 3.053 10 5 EGBERO Cc1cc(NC(=O)CCCn2ccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161757097 454720260 /nfs/dbraw/zinc/72/02/60/454720260.db2.gz UMAYIKKSEDITDO-UHFFFAOYSA-N 1 0 339.355 3.067 10 5 EGBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124745139 454766732 /nfs/dbraw/zinc/76/67/32/454766732.db2.gz GGLBTSXJKXJWNW-HIFRSBDPSA-N 1 0 347.459 3.447 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176725034 454776342 /nfs/dbraw/zinc/77/63/42/454776342.db2.gz VBNWDIWLRUOPQD-IJEWVQPXSA-N 1 0 348.447 3.088 10 5 EGBERO CCC[NH+]1CCC(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170640113 454946568 /nfs/dbraw/zinc/94/65/68/454946568.db2.gz SKMXPNROUYSCES-UHFFFAOYSA-N 1 0 346.431 3.013 10 5 EGBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170969662 455008185 /nfs/dbraw/zinc/00/81/85/455008185.db2.gz LSMAIXBZYRHGBQ-HNNXBMFYSA-N 1 0 333.435 3.460 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000129025750 455095138 /nfs/dbraw/zinc/09/51/38/455095138.db2.gz IPFGKPSIFPFOAE-RHSMWYFYSA-N 1 0 339.395 3.359 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000171967684 455104471 /nfs/dbraw/zinc/10/44/71/455104471.db2.gz CLWHOOYYQBPNAD-BXUZGUMPSA-N 1 0 331.397 3.112 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000245507019 455317339 /nfs/dbraw/zinc/31/73/39/455317339.db2.gz PAHSCPQENSAKED-XGINMYPSSA-N 1 0 342.395 3.302 10 5 EGBERO CC[N@H+](CCc1nccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000159260949 455365182 /nfs/dbraw/zinc/36/51/82/455365182.db2.gz BAMCPUQPBSGBBB-UHFFFAOYSA-N 1 0 332.385 3.257 10 5 EGBERO COC(=O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000191576453 455498476 /nfs/dbraw/zinc/49/84/76/455498476.db2.gz SLLGFTXDVLEHQX-LJQANCHMSA-N 1 0 342.395 3.124 10 5 EGBERO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278033354 455740258 /nfs/dbraw/zinc/74/02/58/455740258.db2.gz KEUZEULSLPIEGF-UHFFFAOYSA-N 1 0 349.434 3.260 10 5 EGBERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1c1ccccc1[N+](=O)[O-] ZINC000252484572 455809938 /nfs/dbraw/zinc/80/99/38/455809938.db2.gz FZNKKYXOZHCMJN-LSDHHAIUSA-N 1 0 335.448 3.045 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000278355288 455827976 /nfs/dbraw/zinc/82/79/76/455827976.db2.gz PDJONHGDZBFRPH-CYBMUJFWSA-N 1 0 339.823 3.113 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297301468 456179063 /nfs/dbraw/zinc/17/90/63/456179063.db2.gz XWLKIUQOUGJAIL-BUHFOSPRSA-N 1 0 343.427 3.131 10 5 EGBERO CC1CC[NH+]([C@@H](CNc2ccncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000340155351 456284988 /nfs/dbraw/zinc/28/49/88/456284988.db2.gz RKEAGFRTOXFCQF-INIZCTEOSA-N 1 0 346.456 3.358 10 5 EGBERO COc1cc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])cc1F ZINC000302175748 456307900 /nfs/dbraw/zinc/30/79/00/456307900.db2.gz XARGWZPWGXFZLV-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473712 456525718 /nfs/dbraw/zinc/52/57/18/456525718.db2.gz KWKBHZLWQDGMTB-XJOINEQPSA-N 1 0 336.407 3.495 10 5 EGBERO COc1cc(C[N@H+](C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750198 /nfs/dbraw/zinc/75/01/98/456750198.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 1 0 347.415 3.150 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291957745 456810000 /nfs/dbraw/zinc/81/00/00/456810000.db2.gz UXCMWLGMPAOXJO-KXBFYZLASA-N 1 0 326.396 3.292 10 5 EGBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291993671 456822127 /nfs/dbraw/zinc/82/21/27/456822127.db2.gz QTOJCIFJLVFALL-KBPBESRZSA-N 1 0 326.400 3.206 10 5 EGBERO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347004555 457196350 /nfs/dbraw/zinc/19/63/50/457196350.db2.gz CCRJDGOOZSCWRA-CQSZACIVSA-N 1 0 345.424 3.118 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000342407493 457286109 /nfs/dbraw/zinc/28/61/09/457286109.db2.gz MMDFUIHKPJONDW-NSHDSACASA-N 1 0 330.340 3.183 10 5 EGBERO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347332507 457357774 /nfs/dbraw/zinc/35/77/74/457357774.db2.gz BYTVITYVEPENFS-YVEFUNNKSA-N 1 0 340.383 3.058 10 5 EGBERO COc1cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000352524577 457437857 /nfs/dbraw/zinc/43/78/57/457437857.db2.gz CHJFBMJPVOYMOX-CYBMUJFWSA-N 1 0 330.384 3.372 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000370620287 457684095 /nfs/dbraw/zinc/68/40/95/457684095.db2.gz ONXXAUTYCXMTIY-AWEZNQCLSA-N 1 0 326.396 3.084 10 5 EGBERO C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000411485787 457901521 /nfs/dbraw/zinc/90/15/21/457901521.db2.gz RKCLIFSQIAWESL-CQSZACIVSA-N 1 0 333.432 3.332 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000371451287 457938345 /nfs/dbraw/zinc/93/83/45/457938345.db2.gz CMROQVAYPLLUJT-OAHLLOKOSA-N 1 0 342.399 3.033 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000361995387 457997108 /nfs/dbraw/zinc/99/71/08/457997108.db2.gz HGRQYIHDINCITR-QFBILLFUSA-N 1 0 342.395 3.341 10 5 EGBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC(C)(C)C1 ZINC000412035739 458056817 /nfs/dbraw/zinc/05/68/17/458056817.db2.gz LPSSCWOAHZDACQ-UHFFFAOYSA-N 1 0 349.431 3.443 10 5 EGBERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000446025116 458129706 /nfs/dbraw/zinc/12/97/06/458129706.db2.gz ADZVUKVSMIJUJL-LBPRGKRZSA-N 1 0 339.823 3.018 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000468643786 458529229 /nfs/dbraw/zinc/52/92/29/458529229.db2.gz TWHODYIQGAQVPJ-XATQLNLPSA-N 1 0 326.396 3.191 10 5 EGBERO COc1cc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000373684736 458572842 /nfs/dbraw/zinc/57/28/42/458572842.db2.gz VPGKKECCJFRGJV-UHFFFAOYSA-N 1 0 335.404 3.041 10 5 EGBERO O=[N+]([O-])c1cccc(CC[NH2+]C2CC(OCc3ccccc3)C2)c1 ZINC000494593061 458707707 /nfs/dbraw/zinc/70/77/07/458707707.db2.gz VWVDIFBWHSJAQW-UHFFFAOYSA-N 1 0 326.396 3.475 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000495261508 458822837 /nfs/dbraw/zinc/82/28/37/458822837.db2.gz YMHYBPQNLCFZNV-KDOFPFPSSA-N 1 0 336.432 3.365 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](C[C@H]3CCCO3)C3CCCC3)nc2c1 ZINC000548180479 458851682 /nfs/dbraw/zinc/85/16/82/458851682.db2.gz SJKYQLWHEQYJCM-OAHLLOKOSA-N 1 0 344.415 3.395 10 5 EGBERO CCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000474773083 458900506 /nfs/dbraw/zinc/90/05/06/458900506.db2.gz GPECWZXXAZDWBG-UHFFFAOYSA-N 1 0 349.431 3.366 10 5 EGBERO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000467742790 458984496 /nfs/dbraw/zinc/98/44/96/458984496.db2.gz HUQPMGSHSHRZIE-AWEZNQCLSA-N 1 0 345.374 3.429 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511163 459069790 /nfs/dbraw/zinc/06/97/90/459069790.db2.gz PPCQXVSNLBGXPA-UNWBXTHXSA-N 1 0 347.459 3.085 10 5 EGBERO CC(C)(C)[N@@H+]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000567751439 459160129 /nfs/dbraw/zinc/16/01/29/459160129.db2.gz CERFNMKPGSSOST-UHFFFAOYSA-N 1 0 332.448 3.179 10 5 EGBERO COc1ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1[N+](=O)[O-] ZINC000594974611 459200588 /nfs/dbraw/zinc/20/05/88/459200588.db2.gz BPUBPJKNRNIMGS-IRXDYDNUSA-N 1 0 342.395 3.266 10 5 EGBERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000594987037 459206908 /nfs/dbraw/zinc/20/69/08/459206908.db2.gz VOYQBTFGCFXFJZ-DYVFJYSZSA-N 1 0 344.415 3.043 10 5 EGBERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000595051509 459229146 /nfs/dbraw/zinc/22/91/46/459229146.db2.gz VNRBQMXBGHRERB-FVQBIDKESA-N 1 0 329.404 3.063 10 5 EGBERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000595051507 459229205 /nfs/dbraw/zinc/22/92/05/459229205.db2.gz VNRBQMXBGHRERB-BMFZPTHFSA-N 1 0 329.404 3.063 10 5 EGBERO CC1(C)C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000595070818 459235575 /nfs/dbraw/zinc/23/55/75/459235575.db2.gz YXZYRLXWNPUQKH-UONOGXRCSA-N 1 0 326.343 3.331 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595081654 459239661 /nfs/dbraw/zinc/23/96/61/459239661.db2.gz UERGQHVQMPAHLE-ABAIWWIYSA-N 1 0 341.358 3.337 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595092561 459242171 /nfs/dbraw/zinc/24/21/71/459242171.db2.gz KUDFJIWADFGODL-MFKMUULPSA-N 1 0 341.358 3.193 10 5 EGBERO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595097033 459244469 /nfs/dbraw/zinc/24/44/69/459244469.db2.gz GLFQBZYWHIQEQT-INIZCTEOSA-N 1 0 326.400 3.373 10 5 EGBERO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000524269478 459354387 /nfs/dbraw/zinc/35/43/87/459354387.db2.gz VJQFAOYSCYRSKO-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595732768 459419069 /nfs/dbraw/zinc/41/90/69/459419069.db2.gz KFIXVEANDRDNOY-INMHGKMJSA-N 1 0 332.400 3.149 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755707 459426563 /nfs/dbraw/zinc/42/65/63/459426563.db2.gz OSRJBDMGFUDUPQ-KBPBESRZSA-N 1 0 337.395 3.302 10 5 EGBERO O=c1[nH]ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596092793 459517559 /nfs/dbraw/zinc/51/75/59/459517559.db2.gz NLFOZQQJCARIHB-HNNXBMFYSA-N 1 0 342.399 3.162 10 5 EGBERO [NH3+][C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1F ZINC000596105252 459522534 /nfs/dbraw/zinc/52/25/34/459522534.db2.gz ILFCOOGPYWZUGU-ZIAGYGMSSA-N 1 0 335.404 3.194 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CC1CCOCC1)[C@H]1CC[C@H](O)CC1 ZINC000592130289 459530180 /nfs/dbraw/zinc/53/01/80/459530180.db2.gz AHBHCGWGNLOWCW-IYARVYRRSA-N 1 0 348.443 3.127 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592130977 459531118 /nfs/dbraw/zinc/53/11/18/459531118.db2.gz NLKGBDOQNYTSIA-KZNAEPCWSA-N 1 0 348.443 3.269 10 5 EGBERO CC[NH+](CC)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141951 459534842 /nfs/dbraw/zinc/53/48/42/459534842.db2.gz NGCPZQYMJZMBEU-LBPRGKRZSA-N 1 0 341.839 3.425 10 5 EGBERO CC(C)Cn1nccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592368140 459581098 /nfs/dbraw/zinc/58/10/98/459581098.db2.gz VWIFLEHZLHNNQH-UHFFFAOYSA-N 1 0 341.415 3.261 10 5 EGBERO Cc1ccnc([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572852822 459586239 /nfs/dbraw/zinc/58/62/39/459586239.db2.gz OBHXREGNSKIGGG-HNNXBMFYSA-N 1 0 327.384 3.167 10 5 EGBERO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131188 459625851 /nfs/dbraw/zinc/62/58/51/459625851.db2.gz FGJNHHPPXDEVEB-HUUCEWRRSA-N 1 0 336.432 3.235 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000596912966 459794423 /nfs/dbraw/zinc/79/44/23/459794423.db2.gz PTUPKGZVUWKQRE-OAHLLOKOSA-N 1 0 334.420 3.105 10 5 EGBERO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754718 459842141 /nfs/dbraw/zinc/84/21/41/459842141.db2.gz XCQWDRPQZXFJCQ-UHFFFAOYSA-N 1 0 327.384 3.061 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)o2)cc1 ZINC000597232786 459886749 /nfs/dbraw/zinc/88/67/49/459886749.db2.gz WKTCYQJTAZLFJT-HUUCEWRRSA-N 1 0 328.368 3.323 10 5 EGBERO COc1ccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000609358209 459950794 /nfs/dbraw/zinc/95/07/94/459950794.db2.gz RYVIXRJHCSMNCI-UHFFFAOYSA-N 1 0 348.424 3.460 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593760799 459976537 /nfs/dbraw/zinc/97/65/37/459976537.db2.gz LFUNMJGIHQJEQN-UHFFFAOYSA-N 1 0 348.447 3.404 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000576087093 460066971 /nfs/dbraw/zinc/06/69/71/460066971.db2.gz WHABZZFZUSTEFX-KSSFIOAISA-N 1 0 341.411 3.431 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)cn2)n1 ZINC000618572166 460067407 /nfs/dbraw/zinc/06/74/07/460067407.db2.gz LTTHSRJYPWHRAV-KBPBESRZSA-N 1 0 335.795 3.113 10 5 EGBERO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCCO1 ZINC000594042397 460070266 /nfs/dbraw/zinc/07/02/66/460070266.db2.gz ITXABUFDRAGWET-HUUCEWRRSA-N 1 0 346.387 3.082 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859830 460082890 /nfs/dbraw/zinc/08/28/90/460082890.db2.gz YTUGXNYERQAYSA-CQSZACIVSA-N 1 0 333.432 3.123 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000598937972 460096509 /nfs/dbraw/zinc/09/65/09/460096509.db2.gz ARAFHWPUXLKPHV-CXAGYDPISA-N 1 0 326.400 3.087 10 5 EGBERO CC(C)C(=O)N1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019202 460128486 /nfs/dbraw/zinc/12/84/86/460128486.db2.gz AMAYULFJEYITNY-UHFFFAOYSA-N 1 0 342.399 3.202 10 5 EGBERO CCC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000599090596 460157603 /nfs/dbraw/zinc/15/76/03/460157603.db2.gz AFRZXLBUGFTOQH-OAGGEKHMSA-N 1 0 346.387 3.247 10 5 EGBERO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000599166533 460184029 /nfs/dbraw/zinc/18/40/29/460184029.db2.gz XMFWTTDGUOONCI-LLVKDONJSA-N 1 0 344.337 3.437 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987922 460211739 /nfs/dbraw/zinc/21/17/39/460211739.db2.gz VZRLMPAENNHKFR-UHIISALHSA-N 1 0 332.322 3.067 10 5 EGBERO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227346 460451473 /nfs/dbraw/zinc/45/14/73/460451473.db2.gz APCOCPKAWVJYSM-OAHLLOKOSA-N 1 0 331.416 3.040 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601744038 460888065 /nfs/dbraw/zinc/88/80/65/460888065.db2.gz JTCBSZHYXCXHCB-UHFFFAOYSA-N 1 0 337.445 3.137 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000601745786 460888352 /nfs/dbraw/zinc/88/83/52/460888352.db2.gz XJWHEZDQIXSYFC-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734001287 575420931 /nfs/dbraw/zinc/42/09/31/575420931.db2.gz QAXCNHYLTRGGJY-NSHDSACASA-N 1 0 325.796 3.451 10 5 EGBERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744429731 576827963 /nfs/dbraw/zinc/82/79/63/576827963.db2.gz ZZCIOFBFYFNTDK-WDEREUQCSA-N 1 0 325.796 3.307 10 5 EGBERO C/C(=C/C(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000871359449 1296368653 /nfs/dbraw/zinc/36/86/53/1296368653.db2.gz HCLWSLUOWIOTMG-YPKPFQOOSA-N 1 0 345.443 3.377 10 5 EGBERO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000872020701 1296663292 /nfs/dbraw/zinc/66/32/92/1296663292.db2.gz JJORWMZHYABKDK-GXFFZTMASA-N 1 0 330.363 3.040 10 5 EGBERO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029427 1296676267 /nfs/dbraw/zinc/67/62/67/1296676267.db2.gz WYUVRZQEXPOWAQ-UKRRQHHQSA-N 1 0 332.375 3.236 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036840 1296687717 /nfs/dbraw/zinc/68/77/17/1296687717.db2.gz ZZDFFRCKSSRVKG-XQQFMLRXSA-N 1 0 337.395 3.032 10 5 EGBERO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050212 1296701068 /nfs/dbraw/zinc/70/10/68/1296701068.db2.gz XHDIROQZQLKQLW-GFCCVEGCSA-N 1 0 349.362 3.106 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053651 1296702836 /nfs/dbraw/zinc/70/28/36/1296702836.db2.gz WIAVXDVCTRRVTD-HWWQOWPSSA-N 1 0 340.420 3.439 10 5 EGBERO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065249 1296712308 /nfs/dbraw/zinc/71/23/08/1296712308.db2.gz WIKTXQGYCCVJQO-ZFWWWQNUSA-N 1 0 332.375 3.297 10 5 EGBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000872073578 1296718263 /nfs/dbraw/zinc/71/82/63/1296718263.db2.gz SAJOPLHTAZHJPK-DSRCVFDASA-N 1 0 349.406 3.032 10 5 EGBERO O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000872113190 1296740099 /nfs/dbraw/zinc/74/00/99/1296740099.db2.gz NBWFWUYQRXCJMB-YOEHRIQHSA-N 1 0 332.400 3.295 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cs1 ZINC000886300844 1303427881 /nfs/dbraw/zinc/42/78/81/1303427881.db2.gz QJRUPJXHLHLOBK-CQSZACIVSA-N 1 0 340.445 3.112 10 5 EGBERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])O2)[C@H]1C ZINC000886341396 1303442217 /nfs/dbraw/zinc/44/22/17/1303442217.db2.gz UQDBATRGZVTODD-NPTVCTOMSA-N 1 0 346.427 3.170 10 5 EGBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])O2 ZINC000886341397 1303442620 /nfs/dbraw/zinc/44/26/20/1303442620.db2.gz UQDBATRGZVTODD-SHSHVCQHSA-N 1 0 346.427 3.170 10 5 EGBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000893023716 1305664089 /nfs/dbraw/zinc/66/40/89/1305664089.db2.gz HFSSJQKNCMOBSZ-STQMWFEESA-N 1 0 337.395 3.069 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1Cl ZINC000895753107 1309504179 /nfs/dbraw/zinc/50/41/79/1309504179.db2.gz NXOQDVQNIPYBTE-AWEZNQCLSA-N 1 0 338.766 3.081 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896237230 1309761890 /nfs/dbraw/zinc/76/18/90/1309761890.db2.gz LDFSFPRELFYJGQ-INDWDQIESA-N 1 0 328.372 3.179 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857677431 1328581863 /nfs/dbraw/zinc/58/18/63/1328581863.db2.gz LGHHDQDCXNFQKB-UHFFFAOYSA-N 1 0 327.812 3.098 10 5 EGBERO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000857931946 1328631594 /nfs/dbraw/zinc/63/15/94/1328631594.db2.gz OKDSGBYGBIYLCM-CYBMUJFWSA-N 1 0 345.424 3.180 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464389 1328768600 /nfs/dbraw/zinc/76/86/00/1328768600.db2.gz LUBCFQUHJISDMT-BBRMVZONSA-N 1 0 332.448 3.235 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000858472892 1328771015 /nfs/dbraw/zinc/77/10/15/1328771015.db2.gz KCGPBIFMLMMRRC-MLGOLLRUSA-N 1 0 330.384 3.169 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000858472893 1328771526 /nfs/dbraw/zinc/77/15/26/1328771526.db2.gz KCGPBIFMLMMRRC-WBMJQRKESA-N 1 0 330.384 3.169 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000858505284 1328782501 /nfs/dbraw/zinc/78/25/01/1328782501.db2.gz HWWNSBAIJKZXAV-IRXDYDNUSA-N 1 0 344.411 3.157 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000858505910 1328783145 /nfs/dbraw/zinc/78/31/45/1328783145.db2.gz QPFULHGLYJLYLV-SWLSCSKDSA-N 1 0 348.399 3.296 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000930208936 1328812735 /nfs/dbraw/zinc/81/27/35/1328812735.db2.gz XWPGTACNMHOJSH-ZOCIIQOWSA-N 1 0 344.411 3.120 10 5 EGBERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859358687 1328974891 /nfs/dbraw/zinc/97/48/91/1328974891.db2.gz BSPPLRJDQQQDNV-KRWDZBQOSA-N 1 0 329.400 3.064 10 5 EGBERO COc1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922676875 1322586304 /nfs/dbraw/zinc/58/63/04/1322586304.db2.gz CBHONKYWPNVODD-FZMZJTMJSA-N 1 0 348.321 3.193 10 5 EGBERO Cc1c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922691994 1322592421 /nfs/dbraw/zinc/59/24/21/1322592421.db2.gz OTDKMCSHGYUUFV-TZMCWYRMSA-N 1 0 332.322 3.493 10 5 EGBERO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000925154524 1325067229 /nfs/dbraw/zinc/06/72/29/1325067229.db2.gz QMOCZTLLGJUJBM-SJLPKXTDSA-N 1 0 342.443 3.180 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)o2)cc1 ZINC000865691802 1329729759 /nfs/dbraw/zinc/72/97/59/1329729759.db2.gz GMJVEXSHHZVIHL-DTIMJLODSA-N 1 0 340.379 3.368 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931806096 1329763104 /nfs/dbraw/zinc/76/31/04/1329763104.db2.gz RNHZJYAIOZKJAS-SFHVURJKSA-N 1 0 349.390 3.187 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000866390170 1330105684 /nfs/dbraw/zinc/10/56/84/1330105684.db2.gz SBFMUPSMNUMMAX-DPZKZMLUSA-N 1 0 330.359 3.433 10 5 EGBERO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCC[NH+]3CCCCC3)c2c1 ZINC001184651221 1387503089 /nfs/dbraw/zinc/50/30/89/1387503089.db2.gz VDOCFUVUKZBZAL-UHFFFAOYSA-N 1 0 349.822 3.479 10 5 EGBERO CC[NH+](CC)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC001324102766 1387543015 /nfs/dbraw/zinc/54/30/15/1387543015.db2.gz MJXRTANGKBVMGQ-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001186372409 1387930545 /nfs/dbraw/zinc/93/05/45/1387930545.db2.gz FVGHTJJHXTXIPS-AWEZNQCLSA-N 1 0 347.415 3.119 10 5 EGBERO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001196175564 1368563009 /nfs/dbraw/zinc/56/30/09/1368563009.db2.gz MADKFRHBWCLMDT-HNNXBMFYSA-N 1 0 341.411 3.314 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001117627050 1371057085 /nfs/dbraw/zinc/05/70/85/1371057085.db2.gz WJZFMVRHQAJZLK-FUHWJXTLSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001187663509 1388139311 /nfs/dbraw/zinc/13/93/11/1388139311.db2.gz XBJYZMJNTJODSF-ZDUSSCGKSA-N 1 0 330.363 3.152 10 5 EGBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC001126597892 1372980047 /nfs/dbraw/zinc/98/00/47/1372980047.db2.gz RYWZXRNSXNOSEW-CQSZACIVSA-N 1 0 349.406 3.037 10 5 EGBERO CC/C(C)=C\C(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001270226193 1377600776 /nfs/dbraw/zinc/60/07/76/1377600776.db2.gz VLPXKFHAKUYMRN-QINSGFPZSA-N 1 0 345.443 3.422 10 5 EGBERO C[NH+](C)Cc1ccccc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001141422227 1378322754 /nfs/dbraw/zinc/32/27/54/1378322754.db2.gz KROHPHRXCZILBV-UHFFFAOYSA-N 1 0 348.790 3.144 10 5 EGBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001141936437 1378396097 /nfs/dbraw/zinc/39/60/97/1378396097.db2.gz NGBLYFVHOKENCR-UHFFFAOYSA-N 1 0 347.346 3.056 10 5 EGBERO CCC[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001151770444 1379776621 /nfs/dbraw/zinc/77/66/21/1379776621.db2.gz UPSREMZXKDLPBT-INIZCTEOSA-N 1 0 345.443 3.208 10 5 EGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001287942148 1381431910 /nfs/dbraw/zinc/43/19/10/1381431910.db2.gz GJKBYTGFDVXJCD-KRWDZBQOSA-N 1 0 331.416 3.122 10 5 EGBERO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001163410674 1383046001 /nfs/dbraw/zinc/04/60/01/1383046001.db2.gz AGDYPVQPWDBCIL-PHIMTYICSA-N 1 0 331.338 3.451 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccncc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001163642580 1383094205 /nfs/dbraw/zinc/09/42/05/1383094205.db2.gz HADQLXWWCWPCCB-UHFFFAOYSA-N 1 0 332.379 3.087 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1C ZINC001163930652 1383136901 /nfs/dbraw/zinc/13/69/01/1383136901.db2.gz VGSTZWZNCNBBNQ-OAHLLOKOSA-N 1 0 333.432 3.014 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001306984437 1383930037 /nfs/dbraw/zinc/93/00/37/1383930037.db2.gz YXZZZOJBFUQSAF-UONOGXRCSA-N 1 0 349.431 3.365 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001168741056 1383986445 /nfs/dbraw/zinc/98/64/45/1383986445.db2.gz GKARRMOKHHDGPF-QRVBRYPASA-N 1 0 344.411 3.120 10 5 EGBERO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001308155464 1384102075 /nfs/dbraw/zinc/10/20/75/1384102075.db2.gz DNAQMJCSPLVSKD-ZXFNITATSA-N 1 0 348.443 3.435 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001175926299 1385439252 /nfs/dbraw/zinc/43/92/52/1385439252.db2.gz QIYGEFMPEWCOQV-INIZCTEOSA-N 1 0 346.358 3.396 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001176941159 1385749751 /nfs/dbraw/zinc/74/97/51/1385749751.db2.gz ZAFZCYQTXQKFJH-RBUKOAKNSA-N 1 0 342.395 3.092 10 5 EGBERO CC[N@H+](C)[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177588026 1386002101 /nfs/dbraw/zinc/00/21/01/1386002101.db2.gz OOBGGOBKHJWFSJ-KDOFPFPSSA-N 1 0 341.411 3.465 10 5 EGBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001321224566 1386847224 /nfs/dbraw/zinc/84/72/24/1386847224.db2.gz UAGZICCZICNKRM-WAYWQWQTSA-N 1 0 345.443 3.327 10 5 EGBERO CC1(C)CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347598550 1391097724 /nfs/dbraw/zinc/09/77/24/1391097724.db2.gz WTDFAJFDVOMUMZ-HOTGVXAUSA-N 1 0 345.443 3.077 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001352463948 1391799761 /nfs/dbraw/zinc/79/97/61/1391799761.db2.gz BIKDQRXRGXTINK-UHFFFAOYSA-N 1 0 345.443 3.126 10 5 EGBERO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809149 1392170504 /nfs/dbraw/zinc/17/05/04/1392170504.db2.gz ZYCAFUZJCCAADS-WMLDXEAASA-N 1 0 345.443 3.079 10 5 EGBERO CCc1occc1C(=O)NCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001480972508 1393057975 /nfs/dbraw/zinc/05/79/75/1393057975.db2.gz PKJVDDFUJUYDJB-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO CC1(C(=O)NCCC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001482043150 1394704586 /nfs/dbraw/zinc/70/45/86/1394704586.db2.gz KYZFJVPBKUBIRW-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C)(C)C(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001690013007 1404256078 /nfs/dbraw/zinc/25/60/78/1404256078.db2.gz YPWWHCPJLZFTHZ-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO CCCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691111637 1405051930 /nfs/dbraw/zinc/05/19/30/1405051930.db2.gz PHMFLLSGSMLMHH-IYBDPMFKSA-N 1 0 347.459 3.406 10 5 EGBERO CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691492039 1405300326 /nfs/dbraw/zinc/30/03/26/1405300326.db2.gz OFIZGCIJEAOAED-KHTDKZQGSA-N 1 0 345.443 3.182 10 5 EGBERO CCCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691517131 1405315488 /nfs/dbraw/zinc/31/54/88/1405315488.db2.gz DBRYOQKMZFEQIU-KOMQPUFPSA-N 1 0 347.459 3.406 10 5 EGBERO O=C(CCC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001732305204 1428521258 /nfs/dbraw/zinc/52/12/58/1428521258.db2.gz CXJYTZBBBLWVKX-QAQDUYKDSA-N 1 0 345.443 3.302 10 5 EGBERO CC[N@H+](CCNC(=O)C=C1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713481963 1418170223 /nfs/dbraw/zinc/17/02/23/1418170223.db2.gz WYTZZVCFKZMFMU-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001714488962 1419212394 /nfs/dbraw/zinc/21/23/94/1419212394.db2.gz XTWYGOBJAXVPSF-BNNQUZSASA-N 1 0 331.416 3.080 10 5 EGBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCC1CCCC1 ZINC001714681540 1419471211 /nfs/dbraw/zinc/47/12/11/1419471211.db2.gz UDSCNPZPKMFPDS-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO CCCCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715085799 1419824608 /nfs/dbraw/zinc/82/46/08/1419824608.db2.gz GFQUJUNFZNJIJO-UHFFFAOYSA-N 1 0 333.432 3.304 10 5 EGBERO Cc1ccccc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001715751929 1420324886 /nfs/dbraw/zinc/32/48/86/1420324886.db2.gz RQLGELQIFFKQPT-UHFFFAOYSA-N 1 0 341.411 3.107 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001716376946 1420623708 /nfs/dbraw/zinc/62/37/08/1420623708.db2.gz JQRHWJYZPDQWRH-AATRIKPKSA-N 1 0 343.427 3.103 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C ZINC001717460692 1421390227 /nfs/dbraw/zinc/39/02/27/1421390227.db2.gz YUMHRRZUERJQTI-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CC(C)(C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CC1 ZINC001733721440 1429943186 /nfs/dbraw/zinc/94/31/86/1429943186.db2.gz DRUZSKSDGJZVSR-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO CC/C=C(/C)C(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733861695 1437691417 /nfs/dbraw/zinc/69/14/17/1437691417.db2.gz UMJKDCVDQXXBLI-WCSRMQSCSA-N 1 0 345.443 3.422 10 5 EGBERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000050371368 214054165 /nfs/dbraw/zinc/05/41/65/214054165.db2.gz PQEFDSRWSHFLJK-YPMHNXCESA-N 1 0 329.194 3.014 10 5 EGBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2sccc2Br)c1 ZINC000050516100 214058228 /nfs/dbraw/zinc/05/82/28/214058228.db2.gz XLQZKKLJMAEREH-UHFFFAOYSA-N 1 0 343.202 3.457 10 5 EGBERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174451049 231210649 /nfs/dbraw/zinc/21/06/49/231210649.db2.gz MBTDPCCHPPNYIC-CMPLNLGQSA-N 1 0 340.811 3.195 10 5 EGBERO CCc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000130399354 529602257 /nfs/dbraw/zinc/60/22/57/529602257.db2.gz XYWNLFUNNOUKPE-UHFFFAOYSA-N 1 0 333.432 3.007 10 5 EGBERO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101910748 219171316 /nfs/dbraw/zinc/17/13/16/219171316.db2.gz UJTAUMFQYNODGL-GJZGRUSLSA-N 1 0 333.432 3.140 10 5 EGBERO COc1cccc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])c1 ZINC000040586273 213355477 /nfs/dbraw/zinc/35/54/77/213355477.db2.gz UHFRGUOUIGBFQC-UHFFFAOYSA-N 1 0 338.327 3.276 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191344716 239054840 /nfs/dbraw/zinc/05/48/40/239054840.db2.gz VWKSDIVSLWUPLV-ZIAGYGMSSA-N 1 0 334.420 3.158 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccco2)c(Br)c1 ZINC000038059513 213199973 /nfs/dbraw/zinc/19/99/73/213199973.db2.gz JWWFRMSDMWAJLX-UHFFFAOYSA-N 1 0 325.162 3.283 10 5 EGBERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092098199 218118880 /nfs/dbraw/zinc/11/88/80/218118880.db2.gz FICYVIHKZNPZMR-HNNXBMFYSA-N 1 0 345.424 3.034 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000310812350 154144617 /nfs/dbraw/zinc/14/46/17/154144617.db2.gz VWHPROKRXYPEAV-AWEZNQCLSA-N 1 0 337.383 3.158 10 5 EGBERO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000336875972 154226238 /nfs/dbraw/zinc/22/62/38/154226238.db2.gz OHAAPCKIEKYWBK-JKSUJKDBSA-N 1 0 328.368 3.476 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000341062541 155131536 /nfs/dbraw/zinc/13/15/36/155131536.db2.gz CGNJZXLOLKTNBZ-BETUJISGSA-N 1 0 344.415 3.069 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000372810331 157388694 /nfs/dbraw/zinc/38/86/94/157388694.db2.gz PYPMGNIPSBJOFA-HNNXBMFYSA-N 1 0 342.399 3.163 10 5 EGBERO CC[N@@H+]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113326588 162209081 /nfs/dbraw/zinc/20/90/81/162209081.db2.gz VNBQZLFOAUUZMY-CQSZACIVSA-N 1 0 346.456 3.292 10 5 EGBERO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 ZINC000113321116 162209553 /nfs/dbraw/zinc/20/95/53/162209553.db2.gz UEPZMGGVEWOJSQ-NHYWBVRUSA-N 1 0 333.413 3.375 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249158617 163059409 /nfs/dbraw/zinc/05/94/09/163059409.db2.gz ZHUYODJNWHLABM-UKRRQHHQSA-N 1 0 334.420 3.062 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@]2(O)CCSC2)c2ccccc2)c1 ZINC000305857274 163082774 /nfs/dbraw/zinc/08/27/74/163082774.db2.gz WXGDJNGDFQTRFV-ZWKOTPCHSA-N 1 0 344.436 3.142 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344033828 164086989 /nfs/dbraw/zinc/08/69/89/164086989.db2.gz FWEWYJQFRQZFRC-KGLIPLIRSA-N 1 0 347.415 3.219 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000344430597 164177273 /nfs/dbraw/zinc/17/72/73/164177273.db2.gz DGRZGRFOZDJYED-QGZVFWFLSA-N 1 0 326.400 3.456 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000359082741 167061465 /nfs/dbraw/zinc/06/14/65/167061465.db2.gz MGBZMGVLGABRLE-UHFFFAOYSA-N 1 0 326.400 3.077 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000249271051 287275442 /nfs/dbraw/zinc/27/54/42/287275442.db2.gz JOEVZRCQLMILMR-HUUCEWRRSA-N 1 0 332.448 3.268 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000122426423 222084651 /nfs/dbraw/zinc/08/46/51/222084651.db2.gz FRMINEZHGVXYSO-IAQYHMDHSA-N 1 0 339.823 3.051 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000185407361 275215281 /nfs/dbraw/zinc/21/52/81/275215281.db2.gz AFTWOOMMCTXBNA-QGPMSJSTSA-N 1 0 347.459 3.105 10 5 EGBERO CS[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275040181 275250920 /nfs/dbraw/zinc/25/09/20/275250920.db2.gz GTNJTVUPFDAVRU-XOKHGSTOSA-N 1 0 335.473 3.167 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000288565975 276228670 /nfs/dbraw/zinc/22/86/70/276228670.db2.gz AJKFAGBDFTUTTM-CQSZACIVSA-N 1 0 347.415 3.054 10 5 EGBERO CC(=O)c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264589261 278246701 /nfs/dbraw/zinc/24/67/01/278246701.db2.gz LIIMSWHLARMJQV-MRXNPFEDSA-N 1 0 331.416 3.252 10 5 EGBERO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341849586 280247086 /nfs/dbraw/zinc/24/70/86/280247086.db2.gz QLOKNYJQHOKXFD-YOEHRIQHSA-N 1 0 348.447 3.075 10 5 EGBERO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000072685569 307381320 /nfs/dbraw/zinc/38/13/20/307381320.db2.gz MAOHVVGIUXEZAT-UHFFFAOYSA-N 1 0 346.387 3.034 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000129024872 307608689 /nfs/dbraw/zinc/60/86/89/307608689.db2.gz RBCJTLZLEFSYLC-RDTXWAMCSA-N 1 0 339.395 3.359 10 5 EGBERO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000294839203 308262802 /nfs/dbraw/zinc/26/28/02/308262802.db2.gz QYDRCMUXEKXPQZ-GFCCVEGCSA-N 1 0 329.194 3.014 10 5 EGBERO COc1ccc(CN2CC[NH2+]Cc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000415095493 309120000 /nfs/dbraw/zinc/12/00/00/309120000.db2.gz BSGVVKPRHBBKCG-UHFFFAOYSA-N 1 0 327.384 3.022 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415686087 309141091 /nfs/dbraw/zinc/14/10/91/309141091.db2.gz GBJKOJTVVGIREJ-AWEZNQCLSA-N 1 0 346.431 3.251 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415691109 309141114 /nfs/dbraw/zinc/14/11/14/309141114.db2.gz FNTACMBFTXTACN-NWDGAFQWSA-N 1 0 334.420 3.284 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415689813 309141206 /nfs/dbraw/zinc/14/12/06/309141206.db2.gz DFZWWIDZDCLEIN-GFCCVEGCSA-N 1 0 334.420 3.013 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415700991 309141332 /nfs/dbraw/zinc/14/13/32/309141332.db2.gz NRLZTQDODPBCPJ-NEPJUHHUSA-N 1 0 334.420 3.141 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000415702860 309141358 /nfs/dbraw/zinc/14/13/58/309141358.db2.gz QAZRHXOUJVHKQD-OAHLLOKOSA-N 1 0 348.447 3.402 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415699421 309141363 /nfs/dbraw/zinc/14/13/63/309141363.db2.gz IQBHIAMJMJSOAX-QGZVFWFLSA-N 1 0 334.420 3.095 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000415995729 309153702 /nfs/dbraw/zinc/15/37/02/309153702.db2.gz LCNXCYCDUMXZAA-LBPRGKRZSA-N 1 0 340.383 3.389 10 5 EGBERO CON1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421881047 309344849 /nfs/dbraw/zinc/34/48/49/309344849.db2.gz RAOKTODVFBADIR-LJQANCHMSA-N 1 0 341.411 3.300 10 5 EGBERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365222 309397236 /nfs/dbraw/zinc/39/72/36/309397236.db2.gz DAEVKQXCYHJCAF-CCKFTAQKSA-N 1 0 325.412 3.272 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CC4CCC3CC4)n2)cc1 ZINC000433080051 309678167 /nfs/dbraw/zinc/67/81/67/309678167.db2.gz AUBKRUVMZJMYTQ-KOHJWAIASA-N 1 0 328.372 3.313 10 5 EGBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272916 310169206 /nfs/dbraw/zinc/16/92/06/310169206.db2.gz VKGSWQMMNJQWSV-YGRLFVJLSA-N 1 0 332.322 3.206 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000492786986 311291006 /nfs/dbraw/zinc/29/10/06/311291006.db2.gz CMPVWIYOSYDSSV-SFHVURJKSA-N 1 0 334.416 3.386 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510852123 312149671 /nfs/dbraw/zinc/14/96/71/312149671.db2.gz VBDZLHCARCXTRY-GASCZTMLSA-N 1 0 347.459 3.391 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000542787164 314578517 /nfs/dbraw/zinc/57/85/17/314578517.db2.gz DJIWPOKONQGKAL-UHFFFAOYSA-N 1 0 328.372 3.072 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000545920010 314791545 /nfs/dbraw/zinc/79/15/45/314791545.db2.gz AYIGOUHQNIFVIW-OWCLPIDISA-N 1 0 334.416 3.159 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H]1n1cccn1 ZINC000559925421 315650614 /nfs/dbraw/zinc/65/06/14/315650614.db2.gz YFWATCODSRBHGU-BVPBIZIASA-N 1 0 344.415 3.169 10 5 EGBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000566124102 316421846 /nfs/dbraw/zinc/42/18/46/316421846.db2.gz HKVOSRUMWCSRHU-GOSISDBHSA-N 1 0 342.395 3.002 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566923104 316545657 /nfs/dbraw/zinc/54/56/57/316545657.db2.gz CJWSHDQUHRSZNT-ZBFHGGJFSA-N 1 0 325.368 3.350 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000388473669 324275868 /nfs/dbraw/zinc/27/58/68/324275868.db2.gz MPMQXEBIHIHUJH-PWSUYJOCSA-N 1 0 343.221 3.262 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000183131945 455235217 /nfs/dbraw/zinc/23/52/17/455235217.db2.gz YIRQIPXJLXTFOE-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190451067 455321042 /nfs/dbraw/zinc/32/10/42/455321042.db2.gz SMAQCXOGVFWLJZ-QGZVFWFLSA-N 1 0 340.427 3.257 10 5 EGBERO CCc1ccc([C@@H](N[C@@H]2CC[NH2+][C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600714477 460576173 /nfs/dbraw/zinc/57/61/73/460576173.db2.gz SCEGJZXFLROMTE-XZOAIXRZSA-N 1 0 329.400 3.180 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc(C[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000600795105 460608746 /nfs/dbraw/zinc/60/87/46/460608746.db2.gz WPTGHNPSZMHTPI-SFHVURJKSA-N 1 0 340.423 3.481 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccc(F)cc1 ZINC000055022497 453956939 /nfs/dbraw/zinc/95/69/39/453956939.db2.gz RVGOSUJRXROISM-CYBMUJFWSA-N 1 0 345.374 3.235 10 5 EGBERO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000089580700 454163148 /nfs/dbraw/zinc/16/31/48/454163148.db2.gz PHHPPIZIMHWNLG-INIZCTEOSA-N 1 0 332.404 3.065 10 5 EGBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000045654594 454172274 /nfs/dbraw/zinc/17/22/74/454172274.db2.gz WIWAFRASYVFPNW-NSHDSACASA-N 1 0 328.210 3.252 10 5 EGBERO CN(CC(=O)NC(C)(C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000120671148 454332731 /nfs/dbraw/zinc/33/27/31/454332731.db2.gz YTMQXEJWHZBMRB-UHFFFAOYSA-N 1 0 345.399 3.201 10 5 EGBERO Cc1c[nH+]ccc1N1CCC(C(=O)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000072828569 454347332 /nfs/dbraw/zinc/34/73/32/454347332.db2.gz ZRECEPNRDYSSHO-UHFFFAOYSA-N 1 0 341.367 3.120 10 5 EGBERO Cc1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000092978316 454664690 /nfs/dbraw/zinc/66/46/90/454664690.db2.gz WFYVQKQAPTUSEL-UHFFFAOYSA-N 1 0 329.404 3.329 10 5 EGBERO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286662 454723945 /nfs/dbraw/zinc/72/39/45/454723945.db2.gz MZBSOHTYFLRTAT-DZGCQCFKSA-N 1 0 332.404 3.420 10 5 EGBERO COc1cc2c(cc1OC)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000138727057 454797071 /nfs/dbraw/zinc/79/70/71/454797071.db2.gz UESWKGYWJYCXKG-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000163214905 454831319 /nfs/dbraw/zinc/83/13/19/454831319.db2.gz CHYISIIAPRBKEO-AGUYFDCRSA-N 1 0 332.404 3.040 10 5 EGBERO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000125648607 454836984 /nfs/dbraw/zinc/83/69/84/454836984.db2.gz ICGSKPDHDIQCQS-IAQYHMDHSA-N 1 0 348.790 3.168 10 5 EGBERO COc1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179947545 455104062 /nfs/dbraw/zinc/10/40/62/455104062.db2.gz KYVDHKNBOZVGGX-UHFFFAOYSA-N 1 0 330.331 3.089 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000189458437 455200031 /nfs/dbraw/zinc/20/00/31/455200031.db2.gz JGLCBURHAFJQQD-UHFFFAOYSA-N 1 0 345.365 3.267 10 5 EGBERO CCC[C@@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180608473 455207089 /nfs/dbraw/zinc/20/70/89/455207089.db2.gz WBYQCOPCZPNAAK-GOEBONIOSA-N 1 0 343.431 3.195 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000183336901 455278817 /nfs/dbraw/zinc/27/88/17/455278817.db2.gz KTKREUADCCWBND-OAHLLOKOSA-N 1 0 347.459 3.278 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4cnccc43)C2)nc1 ZINC000183337417 455279661 /nfs/dbraw/zinc/27/96/61/455279661.db2.gz BLYJVKBFWRYICY-MRXNPFEDSA-N 1 0 349.394 3.224 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000246223711 455452302 /nfs/dbraw/zinc/45/23/02/455452302.db2.gz DSAJYAYKVBYTBF-ZWKOTPCHSA-N 1 0 344.436 3.418 10 5 EGBERO Cc1csc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246238100 455455219 /nfs/dbraw/zinc/45/52/19/455455219.db2.gz HHDTTZJHYVIXJN-GDBMZVCRSA-N 1 0 347.440 3.273 10 5 EGBERO Cc1nn(C)c(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000160805851 455501216 /nfs/dbraw/zinc/50/12/16/455501216.db2.gz GSZUXTBJBSUAKB-SFHVURJKSA-N 1 0 343.431 3.103 10 5 EGBERO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248123647 455683636 /nfs/dbraw/zinc/68/36/36/455683636.db2.gz UXOSDOSZEOQXDE-AEFFLSMTSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000192810355 455698493 /nfs/dbraw/zinc/69/84/93/455698493.db2.gz CPIASJPKYXEAGR-GDBMZVCRSA-N 1 0 341.415 3.013 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000192839600 455703740 /nfs/dbraw/zinc/70/37/40/455703740.db2.gz IDKBSOOPRDCJNI-AWEZNQCLSA-N 1 0 333.432 3.201 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000249363987 455750970 /nfs/dbraw/zinc/75/09/70/455750970.db2.gz VMNMELDSTFPCHL-WMLDXEAASA-N 1 0 331.416 3.212 10 5 EGBERO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278184466 455781179 /nfs/dbraw/zinc/78/11/79/455781179.db2.gz OFMZEWBZFMTIGD-ZDUSSCGKSA-N 1 0 337.423 3.164 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285907944 455940437 /nfs/dbraw/zinc/94/04/37/455940437.db2.gz SFYHNLKTDIITHL-DEANOFPJSA-N 1 0 343.427 3.083 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000289930690 456185516 /nfs/dbraw/zinc/18/55/16/456185516.db2.gz WJTZTABWJLGBIY-GOOCMWNKSA-N 1 0 346.431 3.294 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000301936004 456254490 /nfs/dbraw/zinc/25/44/90/456254490.db2.gz UDTPXEDMSLYCCF-OAHLLOKOSA-N 1 0 325.384 3.275 10 5 EGBERO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000302748423 456390677 /nfs/dbraw/zinc/39/06/77/456390677.db2.gz GBYFPFYJANNGMF-HNNXBMFYSA-N 1 0 326.400 3.187 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353123422 456505314 /nfs/dbraw/zinc/50/53/14/456505314.db2.gz IGMPOOGNSHMIKX-GOSISDBHSA-N 1 0 347.459 3.444 10 5 EGBERO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299462315 456700057 /nfs/dbraw/zinc/70/00/57/456700057.db2.gz FPGVZMDULHTFTH-ZBFHGGJFSA-N 1 0 333.432 3.284 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341469145 456866360 /nfs/dbraw/zinc/86/63/60/456866360.db2.gz XEOQFRXKSREIPR-KBPBESRZSA-N 1 0 334.420 3.288 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353751462 456889804 /nfs/dbraw/zinc/88/98/04/456889804.db2.gz PRIAFRDXAXGRFL-SFHVURJKSA-N 1 0 334.416 3.386 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCCC[C@@H]3CCO)co2)cc1 ZINC000342055076 457082701 /nfs/dbraw/zinc/08/27/01/457082701.db2.gz YIIPKDMVNPPNFA-MRXNPFEDSA-N 1 0 345.399 3.377 10 5 EGBERO Cc1ccncc1N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000359930436 457154171 /nfs/dbraw/zinc/15/41/71/457154171.db2.gz CUAATPREXDCFME-UHFFFAOYSA-N 1 0 349.394 3.173 10 5 EGBERO CC[NH+](CC)CC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347398214 457400436 /nfs/dbraw/zinc/40/04/36/457400436.db2.gz HUSLYBNQQTUSRJ-UHFFFAOYSA-N 1 0 343.431 3.096 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000425980057 457753240 /nfs/dbraw/zinc/75/32/40/457753240.db2.gz MPICDXNKLNQGCI-CHWSQXEVSA-N 1 0 346.383 3.066 10 5 EGBERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433152351 457766082 /nfs/dbraw/zinc/76/60/82/457766082.db2.gz LTNBVXULOHJREA-SFHVURJKSA-N 1 0 342.443 3.500 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000375078643 457784393 /nfs/dbraw/zinc/78/43/93/457784393.db2.gz CTECJARFECKCTJ-AEFFLSMTSA-N 1 0 347.365 3.408 10 5 EGBERO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000358308787 457925004 /nfs/dbraw/zinc/92/50/04/457925004.db2.gz ZMBKTHDCBYCYQK-CZUORRHYSA-N 1 0 328.368 3.476 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)[S@](C)=O ZINC000358318103 457930302 /nfs/dbraw/zinc/93/03/02/457930302.db2.gz LWEYBUQPHSSSMQ-VJBOLBCHSA-N 1 0 344.502 3.212 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000371451286 457938406 /nfs/dbraw/zinc/93/84/06/457938406.db2.gz CMROQVAYPLLUJT-HNNXBMFYSA-N 1 0 342.399 3.033 10 5 EGBERO COc1ccc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435748582 458196569 /nfs/dbraw/zinc/19/65/69/458196569.db2.gz FVUJXFVHYVKZQR-QGZVFWFLSA-N 1 0 347.459 3.490 10 5 EGBERO CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535658 458306155 /nfs/dbraw/zinc/30/61/55/458306155.db2.gz HOZWBVJZBAZDCD-SJORKVTESA-N 1 0 349.479 3.129 10 5 EGBERO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538887 458307476 /nfs/dbraw/zinc/30/74/76/458307476.db2.gz DSXCSECXMMXUIA-UXLLHSPISA-N 1 0 338.452 3.052 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369671905 458311918 /nfs/dbraw/zinc/31/19/18/458311918.db2.gz WRLLINNPNVVPDO-LBPRGKRZSA-N 1 0 345.359 3.098 10 5 EGBERO Cc1cc(N2CC[C@@]3(C2)CCCOC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000376486431 458315616 /nfs/dbraw/zinc/31/56/16/458315616.db2.gz HUALAIHATCDXAY-GOSISDBHSA-N 1 0 327.384 3.458 10 5 EGBERO CCOC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000494212655 458641074 /nfs/dbraw/zinc/64/10/74/458641074.db2.gz ODMDLNIQPLBSCZ-LBPRGKRZSA-N 1 0 334.372 3.378 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000462763921 458651731 /nfs/dbraw/zinc/65/17/31/458651731.db2.gz MUUUZEYNVZFRTR-RDJZCZTQSA-N 1 0 347.459 3.154 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)cc1 ZINC000442988373 459071569 /nfs/dbraw/zinc/07/15/69/459071569.db2.gz FACLMZHNHAXETD-UHFFFAOYSA-N 1 0 345.830 3.396 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594515329 459073141 /nfs/dbraw/zinc/07/31/41/459073141.db2.gz NTBWGGMSEDUMRZ-XNRPHZJLSA-N 1 0 349.431 3.248 10 5 EGBERO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592846 459101815 /nfs/dbraw/zinc/10/18/15/459101815.db2.gz ZFXVFURIWZTRJX-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590547781 459146982 /nfs/dbraw/zinc/14/69/82/459146982.db2.gz DJDLFAGEZQWLKF-UHFFFAOYSA-N 1 0 345.443 3.078 10 5 EGBERO COc1cc(C[NH+]2CCC(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000558494918 459166815 /nfs/dbraw/zinc/16/68/15/459166815.db2.gz YJZICZAVPZOOHV-UHFFFAOYSA-N 1 0 334.416 3.242 10 5 EGBERO Cn1ncc(C2CC2)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594959169 459193421 /nfs/dbraw/zinc/19/34/21/459193421.db2.gz WFKDMVVUPIZNKW-UHFFFAOYSA-N 1 0 339.399 3.019 10 5 EGBERO CC(C)Oc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000578453343 459204387 /nfs/dbraw/zinc/20/43/87/459204387.db2.gz PGVGYUGNDIJDDE-CABCVRRESA-N 1 0 348.447 3.229 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595059640 459230511 /nfs/dbraw/zinc/23/05/11/459230511.db2.gz FXIRXJFZDAVZFY-LLLHUVSDSA-N 1 0 336.432 3.120 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000595062946 459233382 /nfs/dbraw/zinc/23/33/82/459233382.db2.gz YHPFOEIUEJBQGF-GFCCVEGCSA-N 1 0 338.289 3.181 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595084096 459240845 /nfs/dbraw/zinc/24/08/45/459240845.db2.gz FKNKVIXDSBOIPR-QANKJYHBSA-N 1 0 328.416 3.390 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595094796 459243068 /nfs/dbraw/zinc/24/30/68/459243068.db2.gz JETORFKUHXHORI-ZDUSSCGKSA-N 1 0 326.343 3.112 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595098880 459244479 /nfs/dbraw/zinc/24/44/79/459244479.db2.gz KDVXWUCFTWGDHV-HNNXBMFYSA-N 1 0 347.459 3.331 10 5 EGBERO NC(=O)CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595100355 459245360 /nfs/dbraw/zinc/24/53/60/459245360.db2.gz SWLQSLJEUIHNKN-KRWDZBQOSA-N 1 0 345.443 3.388 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595732776 459418666 /nfs/dbraw/zinc/41/86/66/459418666.db2.gz KFIXVEANDRDNOY-UXLLHSPISA-N 1 0 332.400 3.149 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755709 459427033 /nfs/dbraw/zinc/42/70/33/459427033.db2.gz OSRJBDMGFUDUPQ-UONOGXRCSA-N 1 0 337.395 3.302 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892022 459470214 /nfs/dbraw/zinc/47/02/14/459470214.db2.gz OXFPLKUNZMDCSE-NVXWUHKLSA-N 1 0 345.443 3.322 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595937891 459489339 /nfs/dbraw/zinc/48/93/39/459489339.db2.gz YPLDMTHSYWFSHX-INIZCTEOSA-N 1 0 345.443 3.063 10 5 EGBERO CCC[N@@H+]1CC[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596089978 459516228 /nfs/dbraw/zinc/51/62/28/459516228.db2.gz SCTZCYFZKYEZTI-LLVKDONJSA-N 1 0 327.812 3.401 10 5 EGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1c(F)cccc1Cl)CC2 ZINC000542548489 459570365 /nfs/dbraw/zinc/57/03/65/459570365.db2.gz KMHKTLCIVLENGR-UHFFFAOYSA-N 1 0 335.766 3.383 10 5 EGBERO Cc1c(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)cnn1C ZINC000562503902 459574048 /nfs/dbraw/zinc/57/40/48/459574048.db2.gz ZEKVRHVTHFXOJC-UHFFFAOYSA-N 1 0 325.372 3.130 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)CC(F)F ZINC000592392422 459588343 /nfs/dbraw/zinc/58/83/43/459588343.db2.gz SUNZRTXPPBRBEL-WDEREUQCSA-N 1 0 329.347 3.193 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000592432596 459599727 /nfs/dbraw/zinc/59/97/27/459599727.db2.gz CHICTHGNLYGITO-LJQANCHMSA-N 1 0 341.411 3.430 10 5 EGBERO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029721 459745941 /nfs/dbraw/zinc/74/59/41/459745941.db2.gz ZCZTWBTZKCMBQF-ZFWWWQNUSA-N 1 0 338.429 3.145 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000596912965 459794229 /nfs/dbraw/zinc/79/42/29/459794229.db2.gz PTUPKGZVUWKQRE-HNNXBMFYSA-N 1 0 334.420 3.105 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000593724871 459965149 /nfs/dbraw/zinc/96/51/49/459965149.db2.gz AAEJFFHGZHVGJD-GUYCJALGSA-N 1 0 341.411 3.330 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725714 459965460 /nfs/dbraw/zinc/96/54/60/459965460.db2.gz UDGNPULDCKVPFM-WBMJQRKESA-N 1 0 327.384 3.022 10 5 EGBERO O=[N+]([O-])c1ncccc1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000609513041 459973268 /nfs/dbraw/zinc/97/32/68/459973268.db2.gz JBUJWTMLAUVCEJ-LBPRGKRZSA-N 1 0 348.353 3.345 10 5 EGBERO CCn1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000588959773 460011416 /nfs/dbraw/zinc/01/14/16/460011416.db2.gz OVYSBPOWJYLSCJ-GFCCVEGCSA-N 1 0 327.388 3.186 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602737633 460097332 /nfs/dbraw/zinc/09/73/32/460097332.db2.gz GOPPTMPDADFXSD-CVDKSZRLSA-N 1 0 344.333 3.101 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000599013323 460125271 /nfs/dbraw/zinc/12/52/71/460125271.db2.gz HSCQRLJIVFLXIV-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000599057643 460143524 /nfs/dbraw/zinc/14/35/24/460143524.db2.gz QXAJKUKRIJPLNP-UGSOOPFHSA-N 1 0 328.368 3.476 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599086187 460156234 /nfs/dbraw/zinc/15/62/34/460156234.db2.gz ZFYGXZCCUMQWAM-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220993 460211497 /nfs/dbraw/zinc/21/14/97/460211497.db2.gz SWELNWHSUZXECZ-LBPRGKRZSA-N 1 0 337.445 3.102 10 5 EGBERO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610830949 460245588 /nfs/dbraw/zinc/24/55/88/460245588.db2.gz MNEJSHCCHPGVFA-KBPBESRZSA-N 1 0 342.399 3.100 10 5 EGBERO Cc1cccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)c1 ZINC000599631633 460292929 /nfs/dbraw/zinc/29/29/29/460292929.db2.gz YUWGVGNLBTWMEW-GOSISDBHSA-N 1 0 329.400 3.052 10 5 EGBERO C/C=C\C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691027 460312258 /nfs/dbraw/zinc/31/22/58/460312258.db2.gz QEOAIBPUZDWRQS-JZIMQPMSSA-N 1 0 331.416 3.236 10 5 EGBERO C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(C)(C)C[NH+](C)C ZINC000601225959 460756281 /nfs/dbraw/zinc/75/62/81/460756281.db2.gz BUKGWQVWWLBONN-AWEZNQCLSA-N 1 0 347.459 3.109 10 5 EGBERO CCC1([NH+](C)C)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000601229210 460759160 /nfs/dbraw/zinc/75/91/60/460759160.db2.gz JAAJXGKSQZOLIE-UHFFFAOYSA-N 1 0 332.448 3.179 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601556741 460831478 /nfs/dbraw/zinc/83/14/78/460831478.db2.gz GPUYFYHFWNSDLG-ZDUSSCGKSA-N 1 0 334.420 3.111 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601744977 460888006 /nfs/dbraw/zinc/88/80/06/460888006.db2.gz OKRVHAQVCJVGOK-UHFFFAOYSA-N 1 0 349.406 3.215 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)c1ccccc1)C1CC1 ZINC000161421455 534887728 /nfs/dbraw/zinc/88/77/28/534887728.db2.gz JNGRAUDDGXKKLS-MOPGFXCFSA-N 1 0 340.423 3.282 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000742411326 576781277 /nfs/dbraw/zinc/78/12/77/576781277.db2.gz PBGUOGKCHIMZAP-SMDDNHRTSA-N 1 0 334.445 3.371 10 5 EGBERO C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1(C)C ZINC000871149526 1296239432 /nfs/dbraw/zinc/23/94/32/1296239432.db2.gz DZRFZHZUZMDWQC-UHFFFAOYSA-N 1 0 347.440 3.366 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000871360378 1296369237 /nfs/dbraw/zinc/36/92/37/1296369237.db2.gz BXQAGQBGVTVNTL-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO COCC[C@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074252 1296719748 /nfs/dbraw/zinc/71/97/48/1296719748.db2.gz ZRIAJPHFWKWGID-NWDGAFQWSA-N 1 0 328.434 3.019 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[C@@H]1SC ZINC000872080637 1296722377 /nfs/dbraw/zinc/72/23/77/1296722377.db2.gz BFDZDPABORUXHI-XKFJNSEWSA-N 1 0 328.409 3.294 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000872084854 1296723626 /nfs/dbraw/zinc/72/36/26/1296723626.db2.gz IXCXLDCDUDCMCA-NOZJJQNGSA-N 1 0 332.372 3.392 10 5 EGBERO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CCOC1 ZINC000872085045 1296725205 /nfs/dbraw/zinc/72/52/05/1296725205.db2.gz MRUSULHCSOSPGD-TYNCELHUSA-N 1 0 340.445 3.019 10 5 EGBERO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089981 1296728650 /nfs/dbraw/zinc/72/86/50/1296728650.db2.gz JAJKGKSAPPWRMN-LBPRGKRZSA-N 1 0 337.395 3.033 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000872316815 1296912244 /nfs/dbraw/zinc/91/22/44/1296912244.db2.gz WKPMGGULWCAGGK-KGLIPLIRSA-N 1 0 330.306 3.415 10 5 EGBERO Cc1sc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000893027577 1305668264 /nfs/dbraw/zinc/66/82/64/1305668264.db2.gz WSQLEOINVVBTBT-AAEUAGOBSA-N 1 0 339.461 3.300 10 5 EGBERO CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895748011 1309503405 /nfs/dbraw/zinc/50/34/05/1309503405.db2.gz UUMXYWGXFCCQDX-LEOMRAHMSA-N 1 0 328.416 3.352 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000896625311 1309944052 /nfs/dbraw/zinc/94/40/52/1309944052.db2.gz ZFFFQQBCAZKKPK-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4cn[nH]c43)c2c1 ZINC000857867994 1328608966 /nfs/dbraw/zinc/60/89/66/1328608966.db2.gz MWBKRRWFFJCPHQ-INIZCTEOSA-N 1 0 325.372 3.009 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000899554212 1317087164 /nfs/dbraw/zinc/08/71/64/1317087164.db2.gz XFHWFPBOCANIGV-UHFFFAOYSA-N 1 0 345.443 3.302 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393044 1319024701 /nfs/dbraw/zinc/02/47/01/1319024701.db2.gz JLCLUDZUPPMYNW-INIZCTEOSA-N 1 0 347.459 3.106 10 5 EGBERO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917073159 1319748854 /nfs/dbraw/zinc/74/88/54/1319748854.db2.gz GXUHMTCZOOJQGS-GFCCVEGCSA-N 1 0 333.392 3.055 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000920249544 1322154627 /nfs/dbraw/zinc/15/46/27/1322154627.db2.gz BBNYNHFGKBSKPC-UHFFFAOYSA-N 1 0 348.447 3.074 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000859561990 1329017469 /nfs/dbraw/zinc/01/74/69/1329017469.db2.gz OZZHIXXZTPYZBT-WCQYABFASA-N 1 0 339.823 3.051 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922453996 1322530894 /nfs/dbraw/zinc/53/08/94/1322530894.db2.gz AAXRDFYZBRZPNJ-FZMZJTMJSA-N 1 0 332.322 3.411 10 5 EGBERO C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000923901689 1322842089 /nfs/dbraw/zinc/84/20/89/1322842089.db2.gz APGMEDPEINIGQZ-MJJDPTRDSA-N 1 0 348.447 3.218 10 5 EGBERO C[C@@H]([NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000931618393 1329154794 /nfs/dbraw/zinc/15/47/94/1329154794.db2.gz XIFJZKORMUPXDC-IDHHARJASA-N 1 0 344.411 3.120 10 5 EGBERO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763210 1325291061 /nfs/dbraw/zinc/29/10/61/1325291061.db2.gz QYZSLBBNQJNGRR-QWHCGFSZSA-N 1 0 342.237 3.107 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@]2(C(F)(F)F)CCCN2)cccc1[N+](=O)[O-] ZINC000925858690 1325333724 /nfs/dbraw/zinc/33/37/24/1325333724.db2.gz YEEWRTKRPDNUDD-BXUZGUMPSA-N 1 0 331.338 3.238 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1[N+](=O)[O-] ZINC000926940492 1327785839 /nfs/dbraw/zinc/78/58/39/1327785839.db2.gz OTJOHDFJXSWSBM-BVUBDWEXSA-N 1 0 332.400 3.235 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927163748 1327901993 /nfs/dbraw/zinc/90/19/93/1327901993.db2.gz NZPXUBLDZFMYCY-CZUORRHYSA-N 1 0 347.415 3.003 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000862488170 1329491349 /nfs/dbraw/zinc/49/13/49/1329491349.db2.gz CLMMNXGLOFIHMD-OVHOFWQVSA-N 1 0 330.384 3.240 10 5 EGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866273509 1330089126 /nfs/dbraw/zinc/08/91/26/1330089126.db2.gz NZHZSCUCYJATFD-NWDGAFQWSA-N 1 0 348.422 3.236 10 5 EGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866273508 1330089287 /nfs/dbraw/zinc/08/92/87/1330089287.db2.gz NZHZSCUCYJATFD-NEPJUHHUSA-N 1 0 348.422 3.236 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866530346 1330122373 /nfs/dbraw/zinc/12/23/73/1330122373.db2.gz KHPWEINKAFIAPC-UONOGXRCSA-N 1 0 334.416 3.461 10 5 EGBERO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c(C)n2n1 ZINC000866539349 1330123841 /nfs/dbraw/zinc/12/38/41/1330123841.db2.gz BEBJEZDOCUWHTK-CYBMUJFWSA-N 1 0 339.399 3.414 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000866539161 1330123900 /nfs/dbraw/zinc/12/39/00/1330123900.db2.gz HOUYTQOURRKMHU-HNNXBMFYSA-N 1 0 333.432 3.174 10 5 EGBERO C[C@@]([NH3+])(C(=O)N[C@@H](C1CCC1)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867980946 1330236032 /nfs/dbraw/zinc/23/60/32/1330236032.db2.gz CQQAGIDPSLQKQR-MJGOQNOKSA-N 1 0 345.443 3.244 10 5 EGBERO Cc1cccc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000867991384 1330237728 /nfs/dbraw/zinc/23/77/28/1330237728.db2.gz OBKANOCUCSBHKQ-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO C[NH+](C)[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])c1ccco1 ZINC001184515627 1387480983 /nfs/dbraw/zinc/48/09/83/1387480983.db2.gz ALHXYVKTQAQNLK-HNNXBMFYSA-N 1 0 326.356 3.451 10 5 EGBERO CC(C)(C)CC[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001190464672 1367270994 /nfs/dbraw/zinc/27/09/94/1367270994.db2.gz GFPJRBBUQNBCEG-UHFFFAOYSA-N 1 0 341.402 3.427 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195305698 1368417251 /nfs/dbraw/zinc/41/72/51/1368417251.db2.gz FIZOBBIKPKHPEH-OAHLLOKOSA-N 1 0 331.416 3.354 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001196411092 1368610014 /nfs/dbraw/zinc/61/00/14/1368610014.db2.gz YGFQHZWDYJCYSM-INIZCTEOSA-N 1 0 345.443 3.486 10 5 EGBERO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)ccc1Cl ZINC001198597855 1369069526 /nfs/dbraw/zinc/06/95/26/1369069526.db2.gz ZLMWAFKGRKTIDJ-CRAIPNDOSA-N 1 0 346.814 3.284 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCCC2(C)C)cc1C ZINC001186682032 1387997742 /nfs/dbraw/zinc/99/77/42/1387997742.db2.gz YSZDSMJBEJDNKZ-UHFFFAOYSA-N 1 0 349.431 3.366 10 5 EGBERO Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186764975 1388005787 /nfs/dbraw/zinc/00/57/87/1388005787.db2.gz YBJYOCZPOFCCBQ-LLVKDONJSA-N 1 0 331.338 3.452 10 5 EGBERO C/C(=C\c1ccccc1)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001203372265 1370102761 /nfs/dbraw/zinc/10/27/61/1370102761.db2.gz GXVTWZLIPBGZOO-FERCGXDMSA-N 1 0 326.396 3.495 10 5 EGBERO Cc1c(CC(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC001131232494 1373666163 /nfs/dbraw/zinc/66/61/63/1373666163.db2.gz OGTSQMIQKHEWPA-YOEHRIQHSA-N 1 0 347.459 3.167 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001137114662 1377481068 /nfs/dbraw/zinc/48/10/68/1377481068.db2.gz OUZLGEUXINHLPT-FUHWJXTLSA-N 1 0 347.459 3.154 10 5 EGBERO C/C=C(/C)C(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269845387 1377580204 /nfs/dbraw/zinc/58/02/04/1377580204.db2.gz WJRSOFWYTLKQMS-CQPUUCJISA-N 1 0 345.443 3.279 10 5 EGBERO Cc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c(N)c1[N+](=O)[O-] ZINC001158232521 1381168242 /nfs/dbraw/zinc/16/82/42/1381168242.db2.gz XYDYQEKXAZKZEZ-HNNXBMFYSA-N 1 0 342.399 3.117 10 5 EGBERO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])C1 ZINC001162258763 1382711143 /nfs/dbraw/zinc/71/11/43/1382711143.db2.gz ROMLPGNPXRGRPI-AWEZNQCLSA-N 1 0 349.431 3.224 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1C ZINC001163930650 1383136681 /nfs/dbraw/zinc/13/66/81/1383136681.db2.gz VGSTZWZNCNBBNQ-HNNXBMFYSA-N 1 0 333.432 3.014 10 5 EGBERO Cc1cnc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001164400647 1383184298 /nfs/dbraw/zinc/18/42/98/1383184298.db2.gz HTVBNLXCPFXLOD-CQSZACIVSA-N 1 0 332.791 3.103 10 5 EGBERO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001167665311 1383705033 /nfs/dbraw/zinc/70/50/33/1383705033.db2.gz ZDIDKFFHNLLNBB-SJORKVTESA-N 1 0 334.416 3.253 10 5 EGBERO CC(C)Oc1nc(Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC001306956076 1383925542 /nfs/dbraw/zinc/92/55/42/1383925542.db2.gz HLPLJRKXTWVIAC-UHFFFAOYSA-N 1 0 340.343 3.101 10 5 EGBERO CCCC[N@H+](C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306963359 1383927319 /nfs/dbraw/zinc/92/73/19/1383927319.db2.gz WXUPQUUQIZEWQR-UHFFFAOYSA-N 1 0 336.823 3.362 10 5 EGBERO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001306971471 1383927745 /nfs/dbraw/zinc/92/77/45/1383927745.db2.gz DSEVAARXMPWIOZ-NSHDSACASA-N 1 0 331.338 3.392 10 5 EGBERO COC(=O)/C=C\c1ccc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001307141277 1383944256 /nfs/dbraw/zinc/94/42/56/1383944256.db2.gz UROVAJPDLAHCCY-VURMDHGXSA-N 1 0 347.415 3.067 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC001307210033 1383957820 /nfs/dbraw/zinc/95/78/20/1383957820.db2.gz XRUJIUHELFPNAP-RDJZCZTQSA-N 1 0 333.432 3.206 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC001168838703 1384027817 /nfs/dbraw/zinc/02/78/17/1384027817.db2.gz QCAVBRFWQZVZRX-GJZGRUSLSA-N 1 0 335.448 3.297 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C(C)(C)F)Cc1csc([N+](=O)[O-])c1 ZINC001317680135 1385388193 /nfs/dbraw/zinc/38/81/93/1385388193.db2.gz FZUQUZYADCLHFC-UHFFFAOYSA-N 1 0 345.440 3.121 10 5 EGBERO Cn1cc(C[NH+]2CCC(CCc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC001176192790 1385507966 /nfs/dbraw/zinc/50/79/66/1385507966.db2.gz DLPQSVOUCTXJCD-UHFFFAOYSA-N 1 0 328.416 3.173 10 5 EGBERO Cn1cc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001347355429 1391059672 /nfs/dbraw/zinc/05/96/72/1391059672.db2.gz DVUIPYRUUWAPJT-YOWGUQMCSA-N 1 0 348.353 3.129 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001347656172 1391106743 /nfs/dbraw/zinc/10/67/43/1391106743.db2.gz AYFUXFUFENLNLG-OLZOCXBDSA-N 1 0 339.411 3.074 10 5 EGBERO CC1(CC(=O)NC2(C[NH2+]Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC001732231015 1428477772 /nfs/dbraw/zinc/47/77/72/1428477772.db2.gz QAEYOHSCANVEQV-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC001699643830 1413025776 /nfs/dbraw/zinc/02/57/76/1413025776.db2.gz QJAPHXDDCMBJIQ-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO CCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)CC2CC2)CC1 ZINC001700215973 1413658839 /nfs/dbraw/zinc/65/88/39/1413658839.db2.gz STIPUSHRZFRLOM-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)=C(C)C ZINC001732790749 1428972563 /nfs/dbraw/zinc/97/25/63/1428972563.db2.gz PQZCHHMEQBPDEB-UHFFFAOYSA-N 1 0 333.432 3.279 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(CC)CCC1 ZINC001732791383 1428972930 /nfs/dbraw/zinc/97/29/30/1428972930.db2.gz KOCDAEBUIDPWAC-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO C[N@H+](CCCNC(=O)C(F)=C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001707369719 1417297922 /nfs/dbraw/zinc/29/79/22/1417297922.db2.gz WONJKXMSOJTZKP-UHFFFAOYSA-N 1 0 349.406 3.331 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(F)CCCCC1 ZINC001733261014 1429414778 /nfs/dbraw/zinc/41/47/78/1429414778.db2.gz METPQOWTSJKZNE-UHFFFAOYSA-N 1 0 349.406 3.006 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CCC2)C1 ZINC001716234521 1420575433 /nfs/dbraw/zinc/57/54/33/1420575433.db2.gz DVGMMKOPZYQYPR-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C/C=C(\C)C(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001716793968 1420927009 /nfs/dbraw/zinc/92/70/09/1420927009.db2.gz DDKVPKUVKDRKHP-LNKIKWGQSA-N 1 0 331.416 3.032 10 5 EGBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001722967146 1424280810 /nfs/dbraw/zinc/28/08/10/1424280810.db2.gz MUGFUIVXCANQNX-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C=C1CCCCC1 ZINC001731896037 1428164042 /nfs/dbraw/zinc/16/40/42/1428164042.db2.gz ZZYHGBDTLPMMTJ-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181530842 529588134 /nfs/dbraw/zinc/58/81/34/529588134.db2.gz ODZVNHCTQWSHMS-KRWDZBQOSA-N 1 0 345.374 3.091 10 5 EGBERO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181533925 529588530 /nfs/dbraw/zinc/58/85/30/529588530.db2.gz GRIYAQRHGBMOSK-KRWDZBQOSA-N 1 0 343.383 3.283 10 5 EGBERO CC[N+](C)(CC)CCN(C(=O)c1ccc(N)cc1)c1ccccc1 ZINC000002020631 209811339 /nfs/dbraw/zinc/81/13/39/209811339.db2.gz CCVUNVMAYNECHX-UHFFFAOYSA-O 1 0 326.464 3.402 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181537044 234222898 /nfs/dbraw/zinc/22/28/98/234222898.db2.gz SDRMWWMAAHVPDQ-CABCVRRESA-N 1 0 345.443 3.286 10 5 EGBERO CCC[C@@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160409 213073716 /nfs/dbraw/zinc/07/37/16/213073716.db2.gz UIJZZNZPDFGOHM-CABCVRRESA-N 1 0 348.403 3.093 10 5 EGBERO CCn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cn1 ZINC000253421633 243960314 /nfs/dbraw/zinc/96/03/14/243960314.db2.gz ZIILDDRKMHMJPM-UHFFFAOYSA-N 1 0 332.379 3.330 10 5 EGBERO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378530508 169137184 /nfs/dbraw/zinc/13/71/84/169137184.db2.gz QVZXEDSEQCZGKI-UHFFFAOYSA-N 1 0 337.379 3.254 10 5 EGBERO CCn1cc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000092809202 218169634 /nfs/dbraw/zinc/16/96/34/218169634.db2.gz KZMLDVFRDTXMOC-UHFFFAOYSA-N 1 0 328.416 3.499 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130508954 533022450 /nfs/dbraw/zinc/02/24/50/533022450.db2.gz BPMYVKODPNIAOD-SUMWQHHRSA-N 1 0 330.384 3.296 10 5 EGBERO C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117336955 152094495 /nfs/dbraw/zinc/09/44/95/152094495.db2.gz GXUJNPYKSFUQJC-CYBMUJFWSA-N 1 0 333.388 3.015 10 5 EGBERO C[NH+](C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121777945 152370656 /nfs/dbraw/zinc/37/06/56/152370656.db2.gz QIHKVWKMHHYSIT-UHFFFAOYSA-N 1 0 329.400 3.381 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000192709835 153254225 /nfs/dbraw/zinc/25/42/25/153254225.db2.gz BYPZFPYDKCWUIA-CQSZACIVSA-N 1 0 341.415 3.013 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192812904 153261458 /nfs/dbraw/zinc/26/14/58/153261458.db2.gz YTDQAQGOCOJXTH-WBVHZDCISA-N 1 0 341.415 3.095 10 5 EGBERO CC(C)([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000358272901 156782574 /nfs/dbraw/zinc/78/25/74/156782574.db2.gz ARISIVVPXMXJHB-UHFFFAOYSA-N 1 0 342.321 3.379 10 5 EGBERO COCC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792428 168043852 /nfs/dbraw/zinc/04/38/52/168043852.db2.gz CCSPGJBXTWQQBD-CYBMUJFWSA-N 1 0 337.376 3.142 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000366843188 168147691 /nfs/dbraw/zinc/14/76/91/168147691.db2.gz BLBYWVNDYVVDBG-AEFFLSMTSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173340091 264975752 /nfs/dbraw/zinc/97/57/52/264975752.db2.gz UKZGUDBGTHPOKO-QAPCUYQASA-N 1 0 327.428 3.418 10 5 EGBERO Cc1c(NC(=O)CC[NH+]2C[C@@H]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000177523530 265260000 /nfs/dbraw/zinc/26/00/00/265260000.db2.gz UYKZWUAGPUQMLU-GJZGRUSLSA-N 1 0 331.416 3.354 10 5 EGBERO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000269659441 266335091 /nfs/dbraw/zinc/33/50/91/266335091.db2.gz PSWHASQTEACDDE-ZMYBRWDISA-N 1 0 342.395 3.090 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000273373926 267028822 /nfs/dbraw/zinc/02/88/22/267028822.db2.gz GGMJQIPHRNFZTF-ZAMGYDSWSA-N 1 0 332.425 3.491 10 5 EGBERO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000360049271 274186359 /nfs/dbraw/zinc/18/63/59/274186359.db2.gz CJJRXCXQKCFPAQ-HOTGVXAUSA-N 1 0 339.436 3.058 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C4CC4)C3)o2)cc1 ZINC000288576405 276229724 /nfs/dbraw/zinc/22/97/24/276229724.db2.gz BAFNHJRLUANPNS-AWEZNQCLSA-N 1 0 328.372 3.267 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186631607 288310653 /nfs/dbraw/zinc/31/06/53/288310653.db2.gz XRMXZJSJLNVWQN-QWHCGFSZSA-N 1 0 349.456 3.016 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246414697 307974490 /nfs/dbraw/zinc/97/44/90/307974490.db2.gz RRJYFOBSEXPQNS-KKUMJFAQSA-N 1 0 331.416 3.352 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248647586 308008546 /nfs/dbraw/zinc/00/85/46/308008546.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 1 0 329.444 3.352 10 5 EGBERO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000294878183 308266979 /nfs/dbraw/zinc/26/69/79/308266979.db2.gz PVOPDTSLOJGQGC-GFCCVEGCSA-N 1 0 339.823 3.161 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295103124 308291729 /nfs/dbraw/zinc/29/17/29/308291729.db2.gz VGTVJOBIXZLKIZ-SJLPKXTDSA-N 1 0 327.384 3.308 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000296378352 308421176 /nfs/dbraw/zinc/42/11/76/308421176.db2.gz JLRZOVBOYYJDFJ-PXWWUCIGSA-N 1 0 332.347 3.049 10 5 EGBERO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414768133 309099669 /nfs/dbraw/zinc/09/96/69/309099669.db2.gz KCUQYIIECGHWQW-YOEHRIQHSA-N 1 0 340.427 3.284 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000301426954 308699738 /nfs/dbraw/zinc/69/97/38/308699738.db2.gz CWTBPWKSSQYJJH-UHFFFAOYSA-N 1 0 339.411 3.301 10 5 EGBERO Cc1cc(NC[C@@H](O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302127559 308729969 /nfs/dbraw/zinc/72/99/69/308729969.db2.gz BFICYRQSJBNXNO-INIZCTEOSA-N 1 0 337.379 3.467 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413057306 309013743 /nfs/dbraw/zinc/01/37/43/309013743.db2.gz FMCQCSQBLCBCCS-SNVBAGLBSA-N 1 0 332.326 3.295 10 5 EGBERO C[NH+](C)C1(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417356705 309202829 /nfs/dbraw/zinc/20/28/29/309202829.db2.gz PWGJDODJLPIVRX-SFHVURJKSA-N 1 0 325.412 3.368 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000430200557 309601220 /nfs/dbraw/zinc/60/12/20/309601220.db2.gz AJCKDEPZICASOR-ACJLOTCBSA-N 1 0 336.432 3.270 10 5 EGBERO O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433062869 309677407 /nfs/dbraw/zinc/67/74/07/309677407.db2.gz VUTLIADLHILNRS-NWHVRFAMSA-N 1 0 337.807 3.355 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cnc(C3CC3)nc1)CCC2 ZINC000447589356 309983584 /nfs/dbraw/zinc/98/35/84/309983584.db2.gz XPZYOPPSSSIBEE-GOSISDBHSA-N 1 0 338.411 3.472 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449533952 310069774 /nfs/dbraw/zinc/06/97/74/310069774.db2.gz GBOUJCVRDNLQQQ-QAPCUYQASA-N 1 0 343.383 3.008 10 5 EGBERO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000452095883 310211939 /nfs/dbraw/zinc/21/19/39/310211939.db2.gz WORXQZFHBUUIAH-KSSFIOAISA-N 1 0 339.395 3.359 10 5 EGBERO CC[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459383933 310548794 /nfs/dbraw/zinc/54/87/94/310548794.db2.gz HESUQAWTSIYSTO-HNNXBMFYSA-N 1 0 328.372 3.209 10 5 EGBERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000460353738 310582477 /nfs/dbraw/zinc/58/24/77/310582477.db2.gz QJKFSAKICWNBEI-SJORKVTESA-N 1 0 333.432 3.362 10 5 EGBERO CC(C)[N@@H+]1CCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488111161 311051745 /nfs/dbraw/zinc/05/17/45/311051745.db2.gz NVTOWRFJWZOZLL-CQSZACIVSA-N 1 0 328.416 3.097 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000492786985 311291100 /nfs/dbraw/zinc/29/11/00/311291100.db2.gz CMPVWIYOSYDSSV-GOSISDBHSA-N 1 0 334.416 3.386 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000521681052 312555432 /nfs/dbraw/zinc/55/54/32/312555432.db2.gz LZQQADIRKGESMO-HNNXBMFYSA-N 1 0 333.363 3.457 10 5 EGBERO COc1ccc(OC)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549169686 315079650 /nfs/dbraw/zinc/07/96/50/315079650.db2.gz AASAXJAPUCDZLG-UHFFFAOYSA-N 1 0 330.384 3.287 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cn1 ZINC000554754943 315347502 /nfs/dbraw/zinc/34/75/02/315347502.db2.gz GGYYAUUWOKPQKH-ZDUSSCGKSA-N 1 0 348.353 3.345 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC2CCC1(C[NH3+])CC2 ZINC000563421064 316019173 /nfs/dbraw/zinc/01/91/73/316019173.db2.gz GDZKMYOGVHXTQA-UHFFFAOYSA-N 1 0 333.432 3.085 10 5 EGBERO C[C@@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000570557586 317072450 /nfs/dbraw/zinc/07/24/50/317072450.db2.gz QLYUCPYTDZZLLC-LLVKDONJSA-N 1 0 335.323 3.444 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])cc1F ZINC000570579660 317076502 /nfs/dbraw/zinc/07/65/02/317076502.db2.gz AAYUKVGLGUXVGI-CYBMUJFWSA-N 1 0 345.374 3.435 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182294336 323540810 /nfs/dbraw/zinc/54/08/10/323540810.db2.gz PIYVCIHFCWGUDQ-GFCCVEGCSA-N 1 0 330.340 3.053 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCn2ccnn2)s1 ZINC000184248741 323648703 /nfs/dbraw/zinc/64/87/03/323648703.db2.gz ZHMIIQSTBSWWCR-UHFFFAOYSA-N 1 0 343.412 3.095 10 5 EGBERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000578708220 325005767 /nfs/dbraw/zinc/00/57/67/325005767.db2.gz OPHFJALCWYUIAQ-KYJSFNMBSA-N 1 0 345.443 3.172 10 5 EGBERO CN(C)c1ccccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581273362 325347992 /nfs/dbraw/zinc/34/79/92/325347992.db2.gz DXMQEYZHVSIYEF-UHFFFAOYSA-N 1 0 338.411 3.474 10 5 EGBERO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029928004 453832745 /nfs/dbraw/zinc/83/27/45/453832745.db2.gz SYYGPKHEIOZLEP-AWEZNQCLSA-N 1 0 333.432 3.284 10 5 EGBERO C[NH+](CCc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000034334386 453919358 /nfs/dbraw/zinc/91/93/58/453919358.db2.gz XJJXMLGYSDKGEZ-UHFFFAOYSA-N 1 0 329.356 3.220 10 5 EGBERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817231 455386562 /nfs/dbraw/zinc/38/65/62/455386562.db2.gz BOKIFDVNYLISQD-DOTOQJQBSA-N 1 0 344.411 3.302 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000119950602 454240381 /nfs/dbraw/zinc/24/03/81/454240381.db2.gz XHXJTLZMKIONIP-GDBMZVCRSA-N 1 0 348.447 3.406 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120312773 454285268 /nfs/dbraw/zinc/28/52/68/454285268.db2.gz SLSDAIXDWBRRAQ-ZDUSSCGKSA-N 1 0 344.415 3.070 10 5 EGBERO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551284 454319638 /nfs/dbraw/zinc/31/96/38/454319638.db2.gz RHEBNGXLOYIRBV-BBRMVZONSA-N 1 0 345.399 3.131 10 5 EGBERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688035 454336956 /nfs/dbraw/zinc/33/69/56/454336956.db2.gz VWIKOSQJPLYJLG-SJORKVTESA-N 1 0 348.447 3.172 10 5 EGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121498528 454443038 /nfs/dbraw/zinc/44/30/38/454443038.db2.gz LXZVSFCAIWSNDX-CRAIPNDOSA-N 1 0 348.349 3.223 10 5 EGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000105896016 454664339 /nfs/dbraw/zinc/66/43/39/454664339.db2.gz DOARICAXSBMVOL-MRXNPFEDSA-N 1 0 344.415 3.161 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212605 454687145 /nfs/dbraw/zinc/68/71/45/454687145.db2.gz XNHXYAIXGBDXQB-OAHLLOKOSA-N 1 0 344.415 3.070 10 5 EGBERO Cc1cnn(CCCCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153029369 454754019 /nfs/dbraw/zinc/75/40/19/454754019.db2.gz IGWFZNHENAFYIQ-UHFFFAOYSA-N 1 0 328.416 3.328 10 5 EGBERO O=[N+]([O-])c1cc(CN2CC[C@H](Oc3cccnc3)C2)ccc1Cl ZINC000154667171 454917480 /nfs/dbraw/zinc/91/74/80/454917480.db2.gz GHNVVPYHIHXTQC-AWEZNQCLSA-N 1 0 333.775 3.297 10 5 EGBERO Cc1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C1CC1 ZINC000154965241 454948981 /nfs/dbraw/zinc/94/89/81/454948981.db2.gz DIYYGXINBBIORH-UHFFFAOYSA-N 1 0 329.404 3.240 10 5 EGBERO CC(C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180074904 455127854 /nfs/dbraw/zinc/12/78/54/455127854.db2.gz AGCBYKCSJLPOQF-LJQANCHMSA-N 1 0 341.411 3.189 10 5 EGBERO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180155261 455140400 /nfs/dbraw/zinc/14/04/00/455140400.db2.gz UXOSDOSZEOQXDE-SJLPKXTDSA-N 1 0 339.395 3.078 10 5 EGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181275694 455311235 /nfs/dbraw/zinc/31/12/35/455311235.db2.gz JLZWYEMASUVZJH-CQSZACIVSA-N 1 0 337.383 3.204 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181536863 455350618 /nfs/dbraw/zinc/35/06/18/455350618.db2.gz DETFCWICFQJSQP-HKUYNNGSSA-N 1 0 344.411 3.384 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000184786684 455448669 /nfs/dbraw/zinc/44/86/69/455448669.db2.gz WXPWEFXOESAZJU-GDBMZVCRSA-N 1 0 335.448 3.010 10 5 EGBERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000191560517 455496847 /nfs/dbraw/zinc/49/68/47/455496847.db2.gz SPYHXOTVVKABBS-LLVKDONJSA-N 1 0 349.412 3.121 10 5 EGBERO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000283867340 455605175 /nfs/dbraw/zinc/60/51/75/455605175.db2.gz DKYGDAXOZSBOQY-RBUKOAKNSA-N 1 0 325.412 3.172 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248387128 455710605 /nfs/dbraw/zinc/71/06/05/455710605.db2.gz AFTWOOMMCTXBNA-YXJHDRRASA-N 1 0 347.459 3.105 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249875390 455781003 /nfs/dbraw/zinc/78/10/03/455781003.db2.gz LLIKLLWBCCWDDZ-DZGCQCFKSA-N 1 0 341.415 3.073 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301457411 456120184 /nfs/dbraw/zinc/12/01/84/456120184.db2.gz XIWAYRWGVNDNLI-RYUDHWBXSA-N 1 0 325.384 3.275 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301586321 456153082 /nfs/dbraw/zinc/15/30/82/456153082.db2.gz PBNBCWCJULYQIL-SUMGSTKGSA-N 1 0 347.415 3.066 10 5 EGBERO O=[N+]([O-])c1cc(F)c(N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301787710 456213559 /nfs/dbraw/zinc/21/35/59/456213559.db2.gz MOKGSLHSBXPITN-LBPRGKRZSA-N 1 0 325.359 3.328 10 5 EGBERO CCC[N@@H+]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301987548 456265093 /nfs/dbraw/zinc/26/50/93/456265093.db2.gz DLQWELVPCGQABK-UHFFFAOYSA-N 1 0 328.416 3.374 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000275769453 456308328 /nfs/dbraw/zinc/30/83/28/456308328.db2.gz GSRRJKBVDKGRQZ-QWHCGFSZSA-N 1 0 339.823 3.159 10 5 EGBERO CC(C)Oc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149526 460732339 /nfs/dbraw/zinc/73/23/39/460732339.db2.gz NPHCSQIKUIHYBB-LJQANCHMSA-N 1 0 344.411 3.379 10 5 EGBERO O=[N+]([O-])c1ccc(F)cc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000302868031 456422092 /nfs/dbraw/zinc/42/20/92/456422092.db2.gz WTXHLDXLNZWLSL-UHFFFAOYSA-N 1 0 329.375 3.446 10 5 EGBERO COC(=O)C[C@@](C)(NCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000353140293 456516143 /nfs/dbraw/zinc/51/61/43/456516143.db2.gz AWSYIFFTEYXMDR-GOSISDBHSA-N 1 0 346.358 3.302 10 5 EGBERO O=[N+]([O-])c1cnccc1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353151408 456524452 /nfs/dbraw/zinc/52/44/52/456524452.db2.gz TZQHRKDLLHKWDY-UHFFFAOYSA-N 1 0 340.427 3.400 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)co2)cc1 ZINC000340691991 456628391 /nfs/dbraw/zinc/62/83/91/456628391.db2.gz PHIDOZFMDBQPKR-PBHICJAKSA-N 1 0 343.383 3.251 10 5 EGBERO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241368 456830161 /nfs/dbraw/zinc/83/01/61/456830161.db2.gz OKGFSWIMOOXYPO-CQSZACIVSA-N 1 0 341.415 3.114 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000345011638 456896419 /nfs/dbraw/zinc/89/64/19/456896419.db2.gz LDHDMXNVXMWVQN-WRLNGNIRSA-N 1 0 340.379 3.428 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC000359100065 457053345 /nfs/dbraw/zinc/05/33/45/457053345.db2.gz WRZLXSJUFSPLGK-UHFFFAOYSA-N 1 0 346.406 3.314 10 5 EGBERO CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349836642 457071676 /nfs/dbraw/zinc/07/16/76/457071676.db2.gz ACGBGODMLACFAN-LJQANCHMSA-N 1 0 325.412 3.301 10 5 EGBERO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000359816736 457132815 /nfs/dbraw/zinc/13/28/15/457132815.db2.gz KYUWIOJLDMBBSU-CQSZACIVSA-N 1 0 345.403 3.248 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360918241 457431218 /nfs/dbraw/zinc/43/12/18/457431218.db2.gz IFUPRWYFRWUNHN-YOEHRIQHSA-N 1 0 341.411 3.431 10 5 EGBERO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425558894 457600149 /nfs/dbraw/zinc/60/01/49/457600149.db2.gz YGWHRSZRHLVMJS-SFHVURJKSA-N 1 0 346.427 3.385 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000370620288 457683854 /nfs/dbraw/zinc/68/38/54/457683854.db2.gz ONXXAUTYCXMTIY-CQSZACIVSA-N 1 0 326.396 3.084 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)nc2c1 ZINC000364843354 457703352 /nfs/dbraw/zinc/70/33/52/457703352.db2.gz KNPVCGSEGGXMGA-AWEZNQCLSA-N 1 0 338.367 3.196 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)nc2c1 ZINC000364843355 457703618 /nfs/dbraw/zinc/70/36/18/457703618.db2.gz KNPVCGSEGGXMGA-CQSZACIVSA-N 1 0 338.367 3.196 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375399548 457914401 /nfs/dbraw/zinc/91/44/01/457914401.db2.gz CCRFVZRHCWOWGB-SJDLMVEWSA-N 1 0 340.383 3.358 10 5 EGBERO CCc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447529208 458305666 /nfs/dbraw/zinc/30/56/66/458305666.db2.gz KWCRQNUHYHMNIQ-KGLIPLIRSA-N 1 0 349.460 3.126 10 5 EGBERO CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535655 458306791 /nfs/dbraw/zinc/30/67/91/458306791.db2.gz HOZWBVJZBAZDCD-DLBZAZTESA-N 1 0 349.479 3.129 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447723313 458333840 /nfs/dbraw/zinc/33/38/40/458333840.db2.gz OGWZYVPNLBGVHD-INIZCTEOSA-N 1 0 341.367 3.232 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)o2)c1 ZINC000377791013 458528287 /nfs/dbraw/zinc/52/82/87/458528287.db2.gz YFQJMJZMKVKRSM-CYBMUJFWSA-N 1 0 338.367 3.225 10 5 EGBERO CC1=CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000546574175 458639433 /nfs/dbraw/zinc/63/94/33/458639433.db2.gz LABAVQKULOEOIE-SFHVURJKSA-N 1 0 329.444 3.158 10 5 EGBERO CC1=CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000546574174 458640232 /nfs/dbraw/zinc/64/02/32/458640232.db2.gz LABAVQKULOEOIE-GOSISDBHSA-N 1 0 329.444 3.158 10 5 EGBERO Cc1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000547450053 458742107 /nfs/dbraw/zinc/74/21/07/458742107.db2.gz ANMJRLHIAMVQMA-MRXNPFEDSA-N 1 0 346.431 3.385 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CC4CCC3CC4)o2)cc1 ZINC000433000559 458823922 /nfs/dbraw/zinc/82/39/22/458823922.db2.gz PEZBIPRRURMLGM-QOZQQMKHSA-N 1 0 328.372 3.313 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441024103 458877000 /nfs/dbraw/zinc/87/70/00/458877000.db2.gz GKGFHKVWMFVOPQ-ORAYPTAESA-N 1 0 342.395 3.427 10 5 EGBERO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000475747172 458963039 /nfs/dbraw/zinc/96/30/39/458963039.db2.gz JRZOKUSYFMBLEZ-RDBSUJKOSA-N 1 0 349.431 3.298 10 5 EGBERO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000557251191 459059747 /nfs/dbraw/zinc/05/97/47/459059747.db2.gz QGHGJZYNJXNUIE-GOSISDBHSA-N 1 0 344.411 3.083 10 5 EGBERO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594973273 459201269 /nfs/dbraw/zinc/20/12/69/459201269.db2.gz LLEPNLOUNVUVKE-SECBINFHSA-N 1 0 328.340 3.492 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000595027182 459220784 /nfs/dbraw/zinc/22/07/84/459220784.db2.gz QNOTZGBPWQKQNR-NWDGAFQWSA-N 1 0 346.431 3.236 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000595039060 459224718 /nfs/dbraw/zinc/22/47/18/459224718.db2.gz BFXDAHBXVWIKLP-TVQRCGJNSA-N 1 0 336.310 3.221 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000595035789 459224936 /nfs/dbraw/zinc/22/49/36/459224936.db2.gz MXSCMBVCGXTTHS-LBPRGKRZSA-N 1 0 342.399 3.164 10 5 EGBERO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000595048776 459227480 /nfs/dbraw/zinc/22/74/80/459227480.db2.gz NDNWBNILEJDPPL-KGLIPLIRSA-N 1 0 342.399 3.100 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595058345 459230774 /nfs/dbraw/zinc/23/07/74/459230774.db2.gz ACFXTBBLYVYESP-KJGCVMFHSA-N 1 0 336.432 3.120 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000595087306 459240573 /nfs/dbraw/zinc/24/05/73/459240573.db2.gz RAXQZRKOXZUUTA-LXZKKBNFSA-N 1 0 328.416 3.390 10 5 EGBERO Cc1cncc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595091913 459242161 /nfs/dbraw/zinc/24/21/61/459242161.db2.gz UHPTYJMBIZBHBO-SFHVURJKSA-N 1 0 326.400 3.293 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503934 459326762 /nfs/dbraw/zinc/32/67/62/459326762.db2.gz ZEJSYTZPFHAVOM-CQSZACIVSA-N 1 0 327.384 3.378 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCO[C@H]3CC3(F)F)C2)cc1 ZINC000595519770 459331604 /nfs/dbraw/zinc/33/16/04/459331604.db2.gz CHIQVCOPRFWZIE-HIFRSBDPSA-N 1 0 326.343 3.198 10 5 EGBERO CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595692810 459398434 /nfs/dbraw/zinc/39/84/34/459398434.db2.gz QPLJECFSILEUBE-GOEBONIOSA-N 1 0 348.447 3.218 10 5 EGBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595709138 459408330 /nfs/dbraw/zinc/40/83/30/459408330.db2.gz VFMONQQBVIYHAQ-GDZNZVCISA-N 1 0 339.395 3.240 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755735 459427295 /nfs/dbraw/zinc/42/72/95/459427295.db2.gz PDDABGTZFQRYIN-CQSZACIVSA-N 1 0 337.395 3.303 10 5 EGBERO CCC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000561266515 459437584 /nfs/dbraw/zinc/43/75/84/459437584.db2.gz YUHHVDFEENQUGK-SFHVURJKSA-N 1 0 340.427 3.481 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000595871603 459468562 /nfs/dbraw/zinc/46/85/62/459468562.db2.gz PUIGKGUIZBGJHQ-MRXNPFEDSA-N 1 0 331.416 3.238 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCC1CC1)CC1CC1 ZINC000595870758 459468770 /nfs/dbraw/zinc/46/87/70/459468770.db2.gz DDCGISNWRHZPFN-UHFFFAOYSA-N 1 0 331.416 3.354 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)nc2c1 ZINC000595907670 459481082 /nfs/dbraw/zinc/48/10/82/459481082.db2.gz CRGMQRWZPFLQRE-HDICACEKSA-N 1 0 343.383 3.129 10 5 EGBERO Cc1cnc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000591985542 459504094 /nfs/dbraw/zinc/50/40/94/459504094.db2.gz KPTFJGDVPASJLS-CVEARBPZSA-N 1 0 326.400 3.056 10 5 EGBERO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596082911 459514285 /nfs/dbraw/zinc/51/42/85/459514285.db2.gz PXHYGGVBMUMEFW-GHMZBOCLSA-N 1 0 325.796 3.296 10 5 EGBERO COc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000592176249 459543870 /nfs/dbraw/zinc/54/38/70/459543870.db2.gz HDHWZWPCZFETIX-KRWDZBQOSA-N 1 0 334.416 3.046 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000498320956 459580706 /nfs/dbraw/zinc/58/07/06/459580706.db2.gz BSZYMWKMZLSEEW-CQSZACIVSA-N 1 0 347.459 3.497 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)c(F)c1 ZINC000592370566 459582045 /nfs/dbraw/zinc/58/20/45/459582045.db2.gz RQZIRCGEMRAQKO-CYBMUJFWSA-N 1 0 334.372 3.377 10 5 EGBERO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000592374384 459583441 /nfs/dbraw/zinc/58/34/41/459583441.db2.gz DKUULZXLYROYKY-BETUJISGSA-N 1 0 338.404 3.048 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(F)CC1 ZINC000592399600 459593254 /nfs/dbraw/zinc/59/32/54/459593254.db2.gz NTSFPSCKERIUDJ-IYXRBSQSSA-N 1 0 337.395 3.430 10 5 EGBERO COc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596571743 459681017 /nfs/dbraw/zinc/68/10/17/459681017.db2.gz ZONNANWBCOKQCY-CYBMUJFWSA-N 1 0 337.395 3.276 10 5 EGBERO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000596648558 459714105 /nfs/dbraw/zinc/71/41/05/459714105.db2.gz RIAGUXIQOXPGHS-GDIGMMSISA-N 1 0 325.412 3.391 10 5 EGBERO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000544115698 459728990 /nfs/dbraw/zinc/72/89/90/459728990.db2.gz VTAAQUAOTPNLIW-AWEZNQCLSA-N 1 0 347.415 3.220 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000596788389 459762698 /nfs/dbraw/zinc/76/26/98/459762698.db2.gz QZOHZMGNZCYIPB-UHFFFAOYSA-N 1 0 336.436 3.454 10 5 EGBERO COCC1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000597255184 459897037 /nfs/dbraw/zinc/89/70/37/459897037.db2.gz SKVLZVICQYXNSJ-AWEZNQCLSA-N 1 0 349.431 3.251 10 5 EGBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465970 459898225 /nfs/dbraw/zinc/89/82/25/459898225.db2.gz DJIDNHGMSJGJRE-GUYCJALGSA-N 1 0 326.400 3.064 10 5 EGBERO Cc1cc(N[C@H](C2CC2)C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593492203 459905872 /nfs/dbraw/zinc/90/58/72/459905872.db2.gz RYUFJNOWUKOEAG-LJQANCHMSA-N 1 0 341.411 3.490 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593652691 459942134 /nfs/dbraw/zinc/94/21/34/459942134.db2.gz KNOUTFWEKIXCTI-FKIZTMCRSA-N 1 0 338.407 3.074 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725194 459965832 /nfs/dbraw/zinc/96/58/32/459965832.db2.gz HVOUHYTTYVMXDT-DLBZAZTESA-N 1 0 341.411 3.412 10 5 EGBERO Cn1nc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC000588933646 460007189 /nfs/dbraw/zinc/00/71/89/460007189.db2.gz PCLAYVLJJHBFRF-UHFFFAOYSA-N 1 0 349.394 3.295 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000598937973 460095930 /nfs/dbraw/zinc/09/59/30/460095930.db2.gz ARAFHWPUXLKPHV-DYVFJYSZSA-N 1 0 326.400 3.087 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CCC(F)(F)CC2)c1 ZINC000589516097 460098386 /nfs/dbraw/zinc/09/83/86/460098386.db2.gz ASGIMZWXIAYVIW-UHFFFAOYSA-N 1 0 342.342 3.391 10 5 EGBERO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1OC1CC1 ZINC000598977470 460113109 /nfs/dbraw/zinc/11/31/09/460113109.db2.gz KAKSCNDIFIUPSZ-UHFFFAOYSA-N 1 0 342.395 3.477 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598999983 460123366 /nfs/dbraw/zinc/12/33/66/460123366.db2.gz PSSFVGMAWKFEBK-KRWDZBQOSA-N 1 0 333.432 3.100 10 5 EGBERO Cn1ccnc1[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084847 460156111 /nfs/dbraw/zinc/15/61/11/460156111.db2.gz SGNYOMYLLRJEDB-HIRMHNASSA-N 1 0 340.427 3.444 10 5 EGBERO Cc1cnc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610468825 460158703 /nfs/dbraw/zinc/15/87/03/460158703.db2.gz HCDJJMDUAUCOIU-INIZCTEOSA-N 1 0 340.427 3.399 10 5 EGBERO CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000594237334 460165462 /nfs/dbraw/zinc/16/54/62/460165462.db2.gz CEDGOERVPMPKLN-CQSZACIVSA-N 1 0 348.447 3.172 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221526 460211149 /nfs/dbraw/zinc/21/11/49/460211149.db2.gz XDEUODNIYROTKY-CQSZACIVSA-N 1 0 331.416 3.040 10 5 EGBERO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600471998 460500575 /nfs/dbraw/zinc/50/05/75/460500575.db2.gz WLDASBRKBBOJBT-OAHLLOKOSA-N 1 0 345.443 3.006 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(Nc3ncc(F)cc3[N+](=O)[O-])cccc21 ZINC000601155877 460734539 /nfs/dbraw/zinc/73/45/39/460734539.db2.gz INBMSDGMRMBUAU-CYBMUJFWSA-N 1 0 332.335 3.258 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601321887 460788948 /nfs/dbraw/zinc/78/89/48/460788948.db2.gz XZKRPOGHUWBQIW-JSGCOSHPSA-N 1 0 330.388 3.376 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601665171 460863226 /nfs/dbraw/zinc/86/32/26/460863226.db2.gz DZWANPCIBNJXMY-OAHLLOKOSA-N 1 0 345.443 3.006 10 5 EGBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)[C@@H]2C1 ZINC000646937628 461459059 /nfs/dbraw/zinc/45/90/59/461459059.db2.gz PDMBAZXRQLCXHQ-DNVCBOLYSA-N 1 0 331.419 3.164 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178698533 527824530 /nfs/dbraw/zinc/82/45/30/527824530.db2.gz CSGFWKGHASQCFI-KEYYUXOJSA-N 1 0 348.447 3.028 10 5 EGBERO CC[NH+](CC)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000174021877 528163106 /nfs/dbraw/zinc/16/31/06/528163106.db2.gz DSEDUZRIWBKQIX-UHFFFAOYSA-N 1 0 345.852 3.262 10 5 EGBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357931003 535233307 /nfs/dbraw/zinc/23/33/07/535233307.db2.gz GMRJOECMBSBFLA-ZIAGYGMSSA-N 1 0 336.436 3.075 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000344780976 536808009 /nfs/dbraw/zinc/80/80/09/536808009.db2.gz ZJUNLHWIMXJADL-LLVKDONJSA-N 1 0 330.331 3.280 10 5 EGBERO C[C@]1(CNc2ccc([N+](=O)[O-])nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000398080683 547835599 /nfs/dbraw/zinc/83/55/99/547835599.db2.gz RRLYMTIXVCXJMN-GOSISDBHSA-N 1 0 326.400 3.456 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870573946 1295949496 /nfs/dbraw/zinc/94/94/96/1295949496.db2.gz TUKACLDTZIUKQJ-CCEZHUSRSA-N 1 0 345.443 3.331 10 5 EGBERO CCOC(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872021269 1296662504 /nfs/dbraw/zinc/66/25/04/1296662504.db2.gz PTQSSPROYKIITJ-NSHDSACASA-N 1 0 339.367 3.005 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049234 1296698484 /nfs/dbraw/zinc/69/84/84/1296698484.db2.gz RBIZQJLJFYPPLZ-OLZOCXBDSA-N 1 0 338.379 3.113 10 5 EGBERO CSC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872049545 1296701416 /nfs/dbraw/zinc/70/14/16/1296701416.db2.gz SOOGOMBHBVKDDF-NSHDSACASA-N 1 0 328.409 3.297 10 5 EGBERO C[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000872084165 1296724595 /nfs/dbraw/zinc/72/45/95/1296724595.db2.gz PVVPSTKRNQWRNG-GHMZBOCLSA-N 1 0 326.368 3.362 10 5 EGBERO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088219 1296727052 /nfs/dbraw/zinc/72/70/52/1296727052.db2.gz LZYIESMEPIYNNV-JTQLQIEISA-N 1 0 332.322 3.325 10 5 EGBERO O=C1OCC[C@H]1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000872113187 1296740088 /nfs/dbraw/zinc/74/00/88/1296740088.db2.gz NBWFWUYQRXCJMB-PBHICJAKSA-N 1 0 332.400 3.295 10 5 EGBERO CC(C)(C)OC1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872219505 1296822611 /nfs/dbraw/zinc/82/26/11/1296822611.db2.gz SOJLXGOVTAKJLW-PREGVCBESA-N 1 0 336.432 3.344 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]34C[C@H]3COC4)o2)c(Cl)c1 ZINC000886201839 1303392147 /nfs/dbraw/zinc/39/21/47/1303392147.db2.gz SRHFJNMZGNHYCF-QFYYESIMSA-N 1 0 334.759 3.387 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886332076 1303437468 /nfs/dbraw/zinc/43/74/68/1303437468.db2.gz OQQSCIXRTWNYQF-FKIWNBNSSA-N 1 0 346.427 3.314 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000895610598 1309428316 /nfs/dbraw/zinc/42/83/16/1309428316.db2.gz DZBPKIHWFOGTIJ-LBPRGKRZSA-N 1 0 329.194 3.016 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC000929154883 1328525860 /nfs/dbraw/zinc/52/58/60/1328525860.db2.gz UCBLHPNJMJKQJB-BZWBGLRVSA-N 1 0 337.370 3.008 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)c1 ZINC000929270128 1328553581 /nfs/dbraw/zinc/55/35/81/1328553581.db2.gz NUQHDJKCLVSWCF-BZWBGLRVSA-N 1 0 337.370 3.008 10 5 EGBERO O=[N+]([O-])c1cccc(C[N@H+](CCOC2CCSCC2)C2CC2)c1 ZINC000929855072 1328721430 /nfs/dbraw/zinc/72/14/30/1328721430.db2.gz ZVLDSICQDNTQTA-UHFFFAOYSA-N 1 0 336.457 3.471 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445825 1328763942 /nfs/dbraw/zinc/76/39/42/1328763942.db2.gz DFJMTCSMBVLRPO-KZULUSFZSA-N 1 0 343.383 3.058 10 5 EGBERO Cc1cccc2c1C[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000858459747 1328767403 /nfs/dbraw/zinc/76/74/03/1328767403.db2.gz JZOFTUQBCMCHNU-OCCSQVGLSA-N 1 0 327.384 3.140 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930440497 1328854806 /nfs/dbraw/zinc/85/48/06/1328854806.db2.gz NPNUGJZZEQNIMH-OCCSQVGLSA-N 1 0 332.322 3.179 10 5 EGBERO COc1ccc(C[NH2+]Cc2c(C)cc(CO)cc2C)cc1[N+](=O)[O-] ZINC000922560727 1322556833 /nfs/dbraw/zinc/55/68/33/1322556833.db2.gz LCPAYRBPZLIRGI-UHFFFAOYSA-N 1 0 330.384 3.002 10 5 EGBERO Cc1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1C ZINC000922689259 1322591414 /nfs/dbraw/zinc/59/14/14/1322591414.db2.gz DAUUFHDPQFAKIB-UHFFFAOYSA-N 1 0 340.383 3.229 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922806752 1322622541 /nfs/dbraw/zinc/62/25/41/1322622541.db2.gz LJDDJPQVKPNLNY-OTMARIDSSA-N 1 0 346.427 3.316 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000859927624 1329111284 /nfs/dbraw/zinc/11/12/84/1329111284.db2.gz NBHUQZHLULJMFY-FFGOWVMKSA-N 1 0 338.407 3.364 10 5 EGBERO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc2ccccc21 ZINC000925565149 1325211629 /nfs/dbraw/zinc/21/16/29/1325211629.db2.gz PJWHKJQNDBTIBU-CYBMUJFWSA-N 1 0 340.383 3.304 10 5 EGBERO CCC[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791538 1325302634 /nfs/dbraw/zinc/30/26/34/1325302634.db2.gz ATYXVNTYXIQGBL-FUHWJXTLSA-N 1 0 347.459 3.184 10 5 EGBERO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926440962 1325555656 /nfs/dbraw/zinc/55/56/56/1325555656.db2.gz VKGQIIPXSWNUHC-FUHWJXTLSA-N 1 0 331.416 3.269 10 5 EGBERO C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926961200 1327798908 /nfs/dbraw/zinc/79/89/08/1327798908.db2.gz XGEGNRVXYJUORE-BXKDBHETSA-N 1 0 337.317 3.267 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000926962656 1327800782 /nfs/dbraw/zinc/80/07/82/1327800782.db2.gz KZCLPKZEAXNFJY-RISCZKNCSA-N 1 0 333.354 3.436 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000927075594 1327844378 /nfs/dbraw/zinc/84/43/78/1327844378.db2.gz GVONKZABYSSZKX-MAUKXSAKSA-N 1 0 348.443 3.091 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000928013277 1328172234 /nfs/dbraw/zinc/17/22/34/1328172234.db2.gz JWUZCWCDFDBVFE-UHFFFAOYSA-N 1 0 331.416 3.122 10 5 EGBERO O=[N+]([O-])c1cn(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccccn1 ZINC000863330783 1329547101 /nfs/dbraw/zinc/54/71/01/1329547101.db2.gz ATIIMMOEZANSIJ-UHFFFAOYSA-N 1 0 327.388 3.077 10 5 EGBERO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863570707 1329563838 /nfs/dbraw/zinc/56/38/38/1329563838.db2.gz YYHIKRZGWPXLFO-BZSNNMDCSA-N 1 0 326.396 3.410 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865778801 1329737597 /nfs/dbraw/zinc/73/75/97/1329737597.db2.gz OGKNQVXZNWHHEX-OAHLLOKOSA-N 1 0 334.416 3.290 10 5 EGBERO Cc1ccc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000867991965 1330238322 /nfs/dbraw/zinc/23/83/22/1330238322.db2.gz VABLBUQPZVWKKS-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO [NH3+]Cc1cc(F)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000868065920 1330245556 /nfs/dbraw/zinc/24/55/56/1330245556.db2.gz FHFURIXQYMWXRX-UHFFFAOYSA-N 1 0 343.358 3.253 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000868132833 1330253294 /nfs/dbraw/zinc/25/32/94/1330253294.db2.gz OIYMFQCPHXPDNV-CYBMUJFWSA-N 1 0 334.420 3.111 10 5 EGBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[NH+](CC2CC2)CC1 ZINC001184947230 1387570408 /nfs/dbraw/zinc/57/04/08/1387570408.db2.gz OEJATOWEALYIPQ-UHFFFAOYSA-N 1 0 346.818 3.328 10 5 EGBERO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC001118860468 1371242551 /nfs/dbraw/zinc/24/25/51/1371242551.db2.gz UBAKGXVMAMGRNL-UHFFFAOYSA-N 1 0 341.411 3.352 10 5 EGBERO O=[N+]([O-])c1cccc(Br)c1NC[C@H]1C[NH+]2CCC1CC2 ZINC001187880631 1388182752 /nfs/dbraw/zinc/18/27/52/1388182752.db2.gz MAVKZSKJYZRIML-NSHDSACASA-N 1 0 340.221 3.111 10 5 EGBERO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC001125229281 1372762335 /nfs/dbraw/zinc/76/23/35/1372762335.db2.gz BFAURVRRWKIOAJ-KRWDZBQOSA-N 1 0 337.379 3.220 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001128653541 1373300863 /nfs/dbraw/zinc/30/08/63/1373300863.db2.gz ZLLCNPAGGYKPOR-OAHLLOKOSA-N 1 0 333.432 3.062 10 5 EGBERO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326784924 1388309350 /nfs/dbraw/zinc/30/93/50/1388309350.db2.gz DLTZBLPMKCHCJW-LHHJGKSTSA-N 1 0 331.416 3.080 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134765554 1376708844 /nfs/dbraw/zinc/70/88/44/1376708844.db2.gz STWVWYYEUHLLKS-CYBMUJFWSA-N 1 0 333.413 3.024 10 5 EGBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001136400965 1377389136 /nfs/dbraw/zinc/38/91/36/1377389136.db2.gz FYVWHXCYUVANEV-SJLPKXTDSA-N 1 0 345.443 3.349 10 5 EGBERO CC/C(C)=C/C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001268036073 1377483185 /nfs/dbraw/zinc/48/31/85/1377483185.db2.gz KVOYJXOVDNNKQH-NTCAYCPXSA-N 1 0 345.443 3.470 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1(F)CCCC1 ZINC001273114035 1378087743 /nfs/dbraw/zinc/08/77/43/1378087743.db2.gz NTHWOQYVJNAJRW-UHFFFAOYSA-N 1 0 349.406 3.006 10 5 EGBERO COC(=O)/C=C\c1ccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001327568489 1388561182 /nfs/dbraw/zinc/56/11/82/1388561182.db2.gz BUEKPIIOTIJKBB-PYPCHCLXSA-N 1 0 347.415 3.066 10 5 EGBERO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC001161575305 1382444149 /nfs/dbraw/zinc/44/41/49/1382444149.db2.gz ZMRLBHFWOMYTLU-UHFFFAOYSA-N 1 0 333.432 3.322 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC001161935664 1382559995 /nfs/dbraw/zinc/55/99/95/1382559995.db2.gz GPENSNOFAXWSAX-UHFFFAOYSA-N 1 0 333.432 3.350 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC001163754955 1383118134 /nfs/dbraw/zinc/11/81/34/1383118134.db2.gz XVSROPSPGVSKST-LBPRGKRZSA-N 1 0 329.404 3.290 10 5 EGBERO Cc1nc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001164400632 1383184319 /nfs/dbraw/zinc/18/43/19/1383184319.db2.gz HBZUSOVTJFNTSL-AWEZNQCLSA-N 1 0 332.791 3.103 10 5 EGBERO CC(C)Cc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001307133544 1383943115 /nfs/dbraw/zinc/94/31/15/1383943115.db2.gz JPRWMTYUMWXFGZ-SFHVURJKSA-N 1 0 342.443 3.325 10 5 EGBERO CC[C@@H]([NH2+]C[C@H]1CCC[C@@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634010 1384006152 /nfs/dbraw/zinc/00/61/52/1384006152.db2.gz UHXLLLTUWAJMTE-KURKYZTESA-N 1 0 334.416 3.364 10 5 EGBERO CC(C)(C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848335 1384040953 /nfs/dbraw/zinc/04/09/53/1384040953.db2.gz XRPBNDKGYQHVNJ-YOEHRIQHSA-N 1 0 345.443 3.458 10 5 EGBERO COc1ccc([C@H]2CN(Cc3ccc(C)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001308014986 1384075684 /nfs/dbraw/zinc/07/56/84/1384075684.db2.gz XCAHIMRVRRGSSJ-GOSISDBHSA-N 1 0 341.411 3.058 10 5 EGBERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001308119073 1384096513 /nfs/dbraw/zinc/09/65/13/1384096513.db2.gz YFOXXGOVDNWOTL-SFHVURJKSA-N 1 0 348.830 3.374 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001308119661 1384096949 /nfs/dbraw/zinc/09/69/49/1384096949.db2.gz BDPZZBNWXLSJPJ-YJBOKZPZSA-N 1 0 343.427 3.352 10 5 EGBERO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCc2ccccc21 ZINC001169667226 1384170709 /nfs/dbraw/zinc/17/07/09/1384170709.db2.gz RWKIDROOWUPWJK-UHFFFAOYSA-N 1 0 325.412 3.132 10 5 EGBERO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC001171734764 1384619113 /nfs/dbraw/zinc/61/91/13/1384619113.db2.gz KWWUKYDTBJLEHL-HNNXBMFYSA-N 1 0 334.416 3.397 10 5 EGBERO C[N@H+](CCCC(=O)OC(C)(C)C)CCOc1cccc([N+](=O)[O-])c1 ZINC001176788127 1385699810 /nfs/dbraw/zinc/69/98/10/1385699810.db2.gz PSHSBBDVAPCTDA-UHFFFAOYSA-N 1 0 338.404 3.027 10 5 EGBERO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001322466180 1387191227 /nfs/dbraw/zinc/19/12/27/1387191227.db2.gz ONWVASLJCJQZMO-GUYCJALGSA-N 1 0 346.456 3.277 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)=C1CCCC1 ZINC001322469587 1387191819 /nfs/dbraw/zinc/19/18/19/1387191819.db2.gz DUBYXIDZHNCJPF-UHFFFAOYSA-N 1 0 349.406 3.331 10 5 EGBERO CC(C)C(C)(C)C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001322521369 1387200107 /nfs/dbraw/zinc/20/01/07/1387200107.db2.gz XOVWVVTXZDLIIO-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO C/C=C(\C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001329279959 1389047637 /nfs/dbraw/zinc/04/76/37/1389047637.db2.gz LANLLZOYJVDNNI-WUXMJOGZSA-N 1 0 339.461 3.197 10 5 EGBERO CC1(C)CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC(C)(C)[NH2+]1 ZINC001348735790 1391259274 /nfs/dbraw/zinc/25/92/74/1391259274.db2.gz ARGVGJLNFPHUNH-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CCCCCC1 ZINC001481212981 1393150034 /nfs/dbraw/zinc/15/00/34/1393150034.db2.gz YUYVGIHXZPEWGJ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccco1 ZINC001481886600 1394578482 /nfs/dbraw/zinc/57/84/82/1394578482.db2.gz FEYYTMZKDSOJGR-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO CC[N@H+](CCCNC(=O)C=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001689926433 1404212178 /nfs/dbraw/zinc/21/21/78/1404212178.db2.gz IIVZMGDOVAHPCB-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC/C=C(/C)C(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001690018936 1404260142 /nfs/dbraw/zinc/26/01/42/1404260142.db2.gz WQTFHGKUUZSAMM-WCSRMQSCSA-N 1 0 345.443 3.374 10 5 EGBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001691585059 1405346836 /nfs/dbraw/zinc/34/68/36/1405346836.db2.gz MXJXEXJDBNKVIE-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO CCC1(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001699328294 1412641690 /nfs/dbraw/zinc/64/16/90/1412641690.db2.gz NBCUWDKSWVUUAK-WAYWQWQTSA-N 1 0 345.443 3.327 10 5 EGBERO O=C(C=C1CCC1)NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001707478656 1417376192 /nfs/dbraw/zinc/37/61/92/1417376192.db2.gz PHSVJQUVQBGVKE-UHFFFAOYSA-N 1 0 343.427 3.176 10 5 EGBERO C[N@H+](CCCNC(=O)C1=CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001712944206 1417504264 /nfs/dbraw/zinc/50/42/64/1417504264.db2.gz PVQCLVJTTTVVGK-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CC[N@H+](CCCNC(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713010370 1417564603 /nfs/dbraw/zinc/56/46/03/1417564603.db2.gz BUWUOMYAKTYBJH-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC(C)CCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001717146649 1421138949 /nfs/dbraw/zinc/13/89/49/1421138949.db2.gz NTOXPCJMEJLCHS-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001724838667 1425187385 /nfs/dbraw/zinc/18/73/85/1425187385.db2.gz GPVNXJKGJVXENO-UHFFFAOYSA-N 1 0 341.411 3.189 10 5 EGBERO CCCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001731451390 1427428113 /nfs/dbraw/zinc/42/81/13/1427428113.db2.gz FLRISPXPZZTDJU-JOCQHMNTSA-N 1 0 339.461 3.219 10 5 EGBERO CC(C)(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001731476384 1427454087 /nfs/dbraw/zinc/45/40/87/1427454087.db2.gz PPBXTOHIWGLFTQ-IYBDPMFKSA-N 1 0 345.443 3.158 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000175044217 529406920 /nfs/dbraw/zinc/40/69/20/529406920.db2.gz AJAGKROLLGKJDY-ZIAGYGMSSA-N 1 0 349.456 3.016 10 5 EGBERO C[C@H](O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000130414729 223150481 /nfs/dbraw/zinc/15/04/81/223150481.db2.gz FWFKALTVEXIFHS-ZDUSSCGKSA-N 1 0 330.384 3.448 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000265996432 248009089 /nfs/dbraw/zinc/00/90/89/248009089.db2.gz NXBULZJRJZEWCL-IUODEOHRSA-N 1 0 345.399 3.143 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+]4CCC3CC4)o2)cc1 ZINC000377692596 169062514 /nfs/dbraw/zinc/06/25/14/169062514.db2.gz JBZJUHWYTDCSET-UHFFFAOYSA-N 1 0 327.384 3.135 10 5 EGBERO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338054957 141083613 /nfs/dbraw/zinc/08/36/13/141083613.db2.gz WOUDDDZELIIJLU-UHFFFAOYSA-N 1 0 341.411 3.285 10 5 EGBERO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000126975683 286228874 /nfs/dbraw/zinc/22/88/74/286228874.db2.gz URADZBVCYNAVPP-CYBMUJFWSA-N 1 0 337.395 3.197 10 5 EGBERO C[NH+](C)Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F ZINC000115635985 152025460 /nfs/dbraw/zinc/02/54/60/152025460.db2.gz DITVYSUUIFQPSM-UHFFFAOYSA-N 1 0 346.362 3.117 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000341527372 155336711 /nfs/dbraw/zinc/33/67/11/155336711.db2.gz IVFZESJYAKJHEC-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000348931482 156292062 /nfs/dbraw/zinc/29/20/62/156292062.db2.gz JPOFHUGJVNYJND-UHFFFAOYSA-N 1 0 339.395 3.290 10 5 EGBERO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCCC2)c1 ZINC000344411360 164172758 /nfs/dbraw/zinc/17/27/58/164172758.db2.gz CJGCXRPSSLKGFM-QGZVFWFLSA-N 1 0 342.399 3.247 10 5 EGBERO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000348263290 164686418 /nfs/dbraw/zinc/68/64/18/164686418.db2.gz RUINSRCPCPWBQD-NSHDSACASA-N 1 0 347.396 3.305 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000352022765 165194418 /nfs/dbraw/zinc/19/44/18/165194418.db2.gz QWLNDESXXMODQR-IBGZPJMESA-N 1 0 340.379 3.235 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000355457788 166206249 /nfs/dbraw/zinc/20/62/49/166206249.db2.gz IHABWFRELLAQON-MRXNPFEDSA-N 1 0 345.443 3.350 10 5 EGBERO C[C@H]1CC[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311444 167122841 /nfs/dbraw/zinc/12/28/41/167122841.db2.gz UKMBPBLTHGYNKC-UGSOOPFHSA-N 1 0 332.400 3.473 10 5 EGBERO CC[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000360999022 167477196 /nfs/dbraw/zinc/47/71/96/167477196.db2.gz RLOHBXBUNWQMOG-MRXNPFEDSA-N 1 0 328.416 3.448 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367389686 168219259 /nfs/dbraw/zinc/21/92/59/168219259.db2.gz WOMYRJNSAFZLKP-AEFFLSMTSA-N 1 0 329.375 3.269 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)n2)c1 ZINC000177556698 265263171 /nfs/dbraw/zinc/26/31/71/265263171.db2.gz DARLHSLCVIRJLE-ZIAGYGMSSA-N 1 0 328.372 3.267 10 5 EGBERO C[NH+]1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180013556 265394083 /nfs/dbraw/zinc/39/40/83/265394083.db2.gz XUPUKFLXENTMNY-IBGZPJMESA-N 1 0 325.412 3.368 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000273368023 267027462 /nfs/dbraw/zinc/02/74/62/267027462.db2.gz AEMZCKBWJXQLFS-UHFFFAOYSA-N 1 0 334.416 3.457 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116296065 275189332 /nfs/dbraw/zinc/18/93/32/275189332.db2.gz CIQLNMKPPVZQOI-HNNXBMFYSA-N 1 0 329.356 3.354 10 5 EGBERO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341257651 277002825 /nfs/dbraw/zinc/00/28/25/277002825.db2.gz KDKKKQHOTVCUQU-INIZCTEOSA-N 1 0 338.411 3.330 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000359845792 277437871 /nfs/dbraw/zinc/43/78/71/277437871.db2.gz FMUUCTYJABYUMX-AWEZNQCLSA-N 1 0 349.412 3.158 10 5 EGBERO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000352929920 278021694 /nfs/dbraw/zinc/02/16/94/278021694.db2.gz JELRWIPXSVFREX-OAHLLOKOSA-N 1 0 331.416 3.027 10 5 EGBERO Cc1ccc(NC(=O)c2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000060561043 307351442 /nfs/dbraw/zinc/35/14/42/307351442.db2.gz WUXIRDQOCBOMMA-UHFFFAOYSA-N 1 0 343.383 3.096 10 5 EGBERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000077419255 307412407 /nfs/dbraw/zinc/41/24/07/307412407.db2.gz XPEBWDIAQUOQFS-LSDHHAIUSA-N 1 0 343.427 3.469 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000294898841 308269369 /nfs/dbraw/zinc/26/93/69/308269369.db2.gz XBAZPWDICKQXCP-CQSZACIVSA-N 1 0 333.432 3.017 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330593822 308796607 /nfs/dbraw/zinc/79/66/07/308796607.db2.gz WSLGHTSISBVJNF-UHFFFAOYSA-N 1 0 333.432 3.097 10 5 EGBERO CC1=CC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413224195 309022377 /nfs/dbraw/zinc/02/23/77/309022377.db2.gz DKUUXPHDGMNHOK-UHFFFAOYSA-N 1 0 330.310 3.073 10 5 EGBERO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415696393 309141234 /nfs/dbraw/zinc/14/12/34/309141234.db2.gz SBHLJAFXAACAAD-DGCLKSJQSA-N 1 0 334.420 3.154 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000415702859 309141361 /nfs/dbraw/zinc/14/13/61/309141361.db2.gz QAZRHXOUJVHKQD-HNNXBMFYSA-N 1 0 348.447 3.402 10 5 EGBERO CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000421851968 309343400 /nfs/dbraw/zinc/34/34/00/309343400.db2.gz GUJJCMFCBJSCCA-PBFPGSCMSA-N 1 0 345.443 3.199 10 5 EGBERO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000453639804 310286246 /nfs/dbraw/zinc/28/62/46/310286246.db2.gz WWBSUAHFVLGSNN-GOSISDBHSA-N 1 0 328.412 3.213 10 5 EGBERO C[NH+]1CCC(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000456128889 310389775 /nfs/dbraw/zinc/38/97/75/310389775.db2.gz AFFKJQVPABHLLG-QGZVFWFLSA-N 1 0 345.443 3.033 10 5 EGBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(C2CCC2)CCC1 ZINC000459780544 310574929 /nfs/dbraw/zinc/57/49/29/310574929.db2.gz VWWWNSOVTPQXRL-UHFFFAOYSA-N 1 0 345.399 3.205 10 5 EGBERO CC1(C)CC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000487904129 311042061 /nfs/dbraw/zinc/04/20/61/311042061.db2.gz DLQHHCBLAJNMHB-UHFFFAOYSA-N 1 0 328.416 3.286 10 5 EGBERO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000545275046 314751039 /nfs/dbraw/zinc/75/10/39/314751039.db2.gz XQJKSIPLXQFBNZ-QGZVFWFLSA-N 1 0 346.358 3.398 10 5 EGBERO C[NH+](C)[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1ccco1 ZINC000580068147 325198192 /nfs/dbraw/zinc/19/81/92/325198192.db2.gz XHEMITPMDDIFRI-HNNXBMFYSA-N 1 0 330.388 3.176 10 5 EGBERO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccn1C ZINC000581512243 325367298 /nfs/dbraw/zinc/36/72/98/325367298.db2.gz SVDCBVNGUUTVKG-HNNXBMFYSA-N 1 0 327.388 3.093 10 5 EGBERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180934093 455266220 /nfs/dbraw/zinc/26/62/20/455266220.db2.gz YSUQGQZSBQWYKF-DOTOQJQBSA-N 1 0 341.415 3.095 10 5 EGBERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245650013 455348452 /nfs/dbraw/zinc/34/84/52/455348452.db2.gz MSGHLICXYINZNH-IAGOWNOFSA-N 1 0 340.383 3.162 10 5 EGBERO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025501110 453774611 /nfs/dbraw/zinc/77/46/11/453774611.db2.gz DTORSLMVAAOCQQ-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO Cc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090519440 454314750 /nfs/dbraw/zinc/31/47/50/454314750.db2.gz ONTOYWMMBPDBJS-GOSISDBHSA-N 1 0 341.411 3.210 10 5 EGBERO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000090521850 454315981 /nfs/dbraw/zinc/31/59/81/454315981.db2.gz SAOWLTAXHIRYPP-UHFFFAOYSA-N 1 0 347.390 3.198 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC000090530817 454317489 /nfs/dbraw/zinc/31/74/89/454317489.db2.gz NAXOAVBKFXZNOB-YPMHNXCESA-N 1 0 332.404 3.307 10 5 EGBERO Cc1ccc(OCC[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065209079 454537627 /nfs/dbraw/zinc/53/76/27/454537627.db2.gz UZQJTYQGQRLAQN-UHFFFAOYSA-N 1 0 330.384 3.293 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000092584659 454589956 /nfs/dbraw/zinc/58/99/56/454589956.db2.gz HSSYKOGZKPFARS-UHFFFAOYSA-N 1 0 325.384 3.464 10 5 EGBERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123235756 454619199 /nfs/dbraw/zinc/61/91/99/454619199.db2.gz CXNXHBIOGISSIL-CQSZACIVSA-N 1 0 344.367 3.240 10 5 EGBERO CC(C)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000105493397 454641299 /nfs/dbraw/zinc/64/12/99/454641299.db2.gz CQQQNTJRZRXIHW-KRWDZBQOSA-N 1 0 328.412 3.411 10 5 EGBERO Cc1cnn([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106219854 454685688 /nfs/dbraw/zinc/68/56/88/454685688.db2.gz NJTOGCCMWVAMAL-KRWDZBQOSA-N 1 0 344.415 3.206 10 5 EGBERO Cc1ccccc1NC(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153300340 454780062 /nfs/dbraw/zinc/78/00/62/454780062.db2.gz PAGRKAZAZRJAEC-UHFFFAOYSA-N 1 0 339.395 3.290 10 5 EGBERO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000162640294 454790431 /nfs/dbraw/zinc/79/04/31/454790431.db2.gz AJEBCYFYFCYFHO-UHFFFAOYSA-N 1 0 345.443 3.128 10 5 EGBERO O=[N+]([O-])c1cc(CN2CC[C@@H](Oc3cccnc3)C2)ccc1Cl ZINC000154667070 454917327 /nfs/dbraw/zinc/91/73/27/454917327.db2.gz GHNVVPYHIHXTQC-CQSZACIVSA-N 1 0 333.775 3.297 10 5 EGBERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000156968784 455159319 /nfs/dbraw/zinc/15/93/19/455159319.db2.gz QJCTUFLXWYOMND-INIZCTEOSA-N 1 0 349.431 3.443 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180501294 455184528 /nfs/dbraw/zinc/18/45/28/455184528.db2.gz IEEBMAJGEHJLLB-ZFWWWQNUSA-N 1 0 343.431 3.284 10 5 EGBERO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C(C)C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000180533832 455191619 /nfs/dbraw/zinc/19/16/19/455191619.db2.gz QUPCKUVQAVJSGL-GDBMZVCRSA-N 1 0 343.431 3.365 10 5 EGBERO CSC[C@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180612065 455208061 /nfs/dbraw/zinc/20/80/61/455208061.db2.gz PBHONBSBBITFSS-FUHWJXTLSA-N 1 0 346.452 3.388 10 5 EGBERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181537609 455350816 /nfs/dbraw/zinc/35/08/16/455350816.db2.gz BCOQFTYTZPKWHW-HNNXBMFYSA-N 1 0 331.347 3.413 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181533679 455351226 /nfs/dbraw/zinc/35/12/26/455351226.db2.gz QVIUGHWJMSEZFP-OAHLLOKOSA-N 1 0 347.440 3.322 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181551970 455354193 /nfs/dbraw/zinc/35/41/93/455354193.db2.gz XTMUZXBWLCFFDX-GOSISDBHSA-N 1 0 341.411 3.260 10 5 EGBERO Cc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1[N+](=O)[O-] ZINC000269359450 455842945 /nfs/dbraw/zinc/84/29/45/455842945.db2.gz VFDWFSRATUFSCI-HNNXBMFYSA-N 1 0 336.457 3.438 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340275067 456354728 /nfs/dbraw/zinc/35/47/28/456354728.db2.gz AWSLWNHYMNYWOW-HKUYNNGSSA-N 1 0 341.411 3.138 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000337578640 456396358 /nfs/dbraw/zinc/39/63/58/456396358.db2.gz HOJCBICYIHUUAF-KRWDZBQOSA-N 1 0 348.424 3.239 10 5 EGBERO CCC[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348225719 456547829 /nfs/dbraw/zinc/54/78/29/456547829.db2.gz LDIUSBTYZYYWQW-SJLPKXTDSA-N 1 0 329.400 3.197 10 5 EGBERO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282591015 456563003 /nfs/dbraw/zinc/56/30/03/456563003.db2.gz WYFAYBWETDLOCQ-PEGIJTEDSA-N 1 0 343.221 3.091 10 5 EGBERO CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000340882140 456738123 /nfs/dbraw/zinc/73/81/23/456738123.db2.gz SFQVXSNLDRPRMA-QGZVFWFLSA-N 1 0 344.415 3.492 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000299624810 456746945 /nfs/dbraw/zinc/74/69/45/456746945.db2.gz KQOMVDJPHVBOFM-HNNXBMFYSA-N 1 0 333.432 3.288 10 5 EGBERO C[NH+]1CCC([C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000292011736 456830019 /nfs/dbraw/zinc/83/00/19/456830019.db2.gz SCYIWNMCBBLRBK-OAHLLOKOSA-N 1 0 340.427 3.311 10 5 EGBERO COc1cc(C[NH2+][C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000348835709 456876995 /nfs/dbraw/zinc/87/69/95/456876995.db2.gz AXTPBYUROGXNJI-KOLCDFICSA-N 1 0 330.331 3.135 10 5 EGBERO Cc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000345030614 456903002 /nfs/dbraw/zinc/90/30/02/456903002.db2.gz SEHOZVHOTZSGFK-HNNXBMFYSA-N 1 0 328.368 3.223 10 5 EGBERO COC[C@@H]1CC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000354057534 457035173 /nfs/dbraw/zinc/03/51/73/457035173.db2.gz WHBNVUZIEKBTKJ-LBPRGKRZSA-N 1 0 332.356 3.084 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000359088665 457052684 /nfs/dbraw/zinc/05/26/84/457052684.db2.gz AEBXDNUCKXFTKG-HOCLYGCPSA-N 1 0 330.432 3.060 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3CCO)co2)cc1 ZINC000342055073 457082412 /nfs/dbraw/zinc/08/24/12/457082412.db2.gz YIIPKDMVNPPNFA-INIZCTEOSA-N 1 0 345.399 3.377 10 5 EGBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359539664 457092672 /nfs/dbraw/zinc/09/26/72/457092672.db2.gz BPBXPWIHCDAHEH-HBUWYVDXSA-N 1 0 331.416 3.434 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000354393596 457195208 /nfs/dbraw/zinc/19/52/08/457195208.db2.gz LEGUBXBCVWXSEE-CHWSQXEVSA-N 1 0 344.415 3.021 10 5 EGBERO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342340124 457245698 /nfs/dbraw/zinc/24/56/98/457245698.db2.gz PHYDVMFTNKTUPF-OAHLLOKOSA-N 1 0 334.347 3.090 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000361013225 457511609 /nfs/dbraw/zinc/51/16/09/457511609.db2.gz RRCQQCBUJZFBOU-GFCCVEGCSA-N 1 0 332.791 3.418 10 5 EGBERO CC1(C)[C@H](O)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361078881 457568529 /nfs/dbraw/zinc/56/85/29/457568529.db2.gz JVEXXEAECFVHQI-CQSZACIVSA-N 1 0 333.413 3.064 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)co2)cc1 ZINC000375297355 457869328 /nfs/dbraw/zinc/86/93/28/457869328.db2.gz UMLQPFQOVNJEMX-GOSISDBHSA-N 1 0 343.383 3.252 10 5 EGBERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cc1F ZINC000371559827 457988292 /nfs/dbraw/zinc/98/82/92/457988292.db2.gz BAMREPIEUXYFDA-UHFFFAOYSA-N 1 0 341.342 3.464 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000427846366 458044359 /nfs/dbraw/zinc/04/43/59/458044359.db2.gz HHEHIONLENDLRV-PXNSSMCTSA-N 1 0 348.406 3.485 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)nc2c1 ZINC000435026943 458079798 /nfs/dbraw/zinc/07/97/98/458079798.db2.gz ODNOTFTYLABXMC-KRWDZBQOSA-N 1 0 331.372 3.129 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)s2)cc1 ZINC000428378636 458132445 /nfs/dbraw/zinc/13/24/45/458132445.db2.gz UWLBBNRAEMYNSK-INIZCTEOSA-N 1 0 330.409 3.280 10 5 EGBERO CCCC[N@H+](C)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446049360 458133650 /nfs/dbraw/zinc/13/36/50/458133650.db2.gz BAEQYDJPMIEBSR-UHFFFAOYSA-N 1 0 327.812 3.018 10 5 EGBERO CS[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000358803614 458227303 /nfs/dbraw/zinc/22/73/03/458227303.db2.gz FRTQURGURVUFIT-XOKHGSTOSA-N 1 0 335.473 3.167 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000547279000 458713423 /nfs/dbraw/zinc/71/34/23/458713423.db2.gz FSUSAZCKJSJOTB-OAHLLOKOSA-N 1 0 333.432 3.296 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594522070 459078542 /nfs/dbraw/zinc/07/85/42/459078542.db2.gz XSBVBTWOZZZJHJ-JQFCIGGWSA-N 1 0 349.431 3.249 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000590548052 459147425 /nfs/dbraw/zinc/14/74/25/459147425.db2.gz QAORZIATXSWMJF-UHFFFAOYSA-N 1 0 345.443 3.276 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000590594677 459155707 /nfs/dbraw/zinc/15/57/07/459155707.db2.gz JPZXBHCFHZPYNG-XJKSGUPXSA-N 1 0 341.411 3.330 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCC[C@H]2C2(O)CC2)c1 ZINC000578300025 459176274 /nfs/dbraw/zinc/17/62/74/459176274.db2.gz LIGVTRBWVUTJHS-AWEZNQCLSA-N 1 0 344.333 3.493 10 5 EGBERO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000480553243 459205529 /nfs/dbraw/zinc/20/55/29/459205529.db2.gz JQDHNFURSXWZAL-UHFFFAOYSA-N 1 0 344.337 3.207 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)o1 ZINC000594987909 459207215 /nfs/dbraw/zinc/20/72/15/459207215.db2.gz MOCHTFQXLSWVLI-SJORKVTESA-N 1 0 328.368 3.248 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000594995482 459208244 /nfs/dbraw/zinc/20/82/44/459208244.db2.gz MBXWQFOCKTXJPC-BMGDILEWSA-N 1 0 328.343 3.170 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000595044834 459226512 /nfs/dbraw/zinc/22/65/12/459226512.db2.gz FXYBPRHYYVKODK-SGTLLEGYSA-N 1 0 334.416 3.459 10 5 EGBERO CO[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595060697 459232288 /nfs/dbraw/zinc/23/22/88/459232288.db2.gz OBRNOAJCQRIAAS-ZTFGCOKTSA-N 1 0 334.416 3.003 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595062692 459233581 /nfs/dbraw/zinc/23/35/81/459233581.db2.gz OBXUACNNSVPSEK-MPTYRVRUSA-N 1 0 336.432 3.120 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000595069074 459236229 /nfs/dbraw/zinc/23/62/29/459236229.db2.gz NSFAMRQGYRJFLL-NOLJZWGESA-N 1 0 340.370 3.320 10 5 EGBERO Cc1ccncc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595075052 459238133 /nfs/dbraw/zinc/23/81/33/459238133.db2.gz VMTOZGAANZYBBH-GOSISDBHSA-N 1 0 325.412 3.452 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470431 459313669 /nfs/dbraw/zinc/31/36/69/459313669.db2.gz NUUWLNVGIRSNGO-JHMUCCBASA-N 1 0 336.407 3.495 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000569000668 459380401 /nfs/dbraw/zinc/38/04/01/459380401.db2.gz MLOZMTJXAITNSS-DOMZBBRYSA-N 1 0 326.352 3.012 10 5 EGBERO CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595661922 459387897 /nfs/dbraw/zinc/38/78/97/459387897.db2.gz CVWGJKXMSZTNGE-HOTGVXAUSA-N 1 0 348.447 3.218 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CCF)C3)n2)cc1 ZINC000595755775 459426589 /nfs/dbraw/zinc/42/65/89/459426589.db2.gz QCLBAPIVVCMXTF-LBPRGKRZSA-N 1 0 334.351 3.216 10 5 EGBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755710 459427238 /nfs/dbraw/zinc/42/72/38/459427238.db2.gz OSRJBDMGFUDUPQ-ZIAGYGMSSA-N 1 0 337.395 3.302 10 5 EGBERO COc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596155869 459541216 /nfs/dbraw/zinc/54/12/16/459541216.db2.gz JXPSQJCQEOEUNY-UWVGGRQHSA-N 1 0 325.796 3.294 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)NCc1cccs1 ZINC000592374531 459583837 /nfs/dbraw/zinc/58/38/37/459583837.db2.gz KQPIBDIDXWEADV-MRXNPFEDSA-N 1 0 347.440 3.149 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479424 459609866 /nfs/dbraw/zinc/60/98/66/459609866.db2.gz YAKHRJFKSFKHED-CRAIPNDOSA-N 1 0 347.459 3.346 10 5 EGBERO Cc1c(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)oc2c1cccc2C ZINC000593088258 459770082 /nfs/dbraw/zinc/77/00/82/459770082.db2.gz ZRKUZGFCQXWUDT-UHFFFAOYSA-N 1 0 328.372 3.286 10 5 EGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000593212366 459809014 /nfs/dbraw/zinc/80/90/14/459809014.db2.gz YMKJGHRJNPBDNM-UHFFFAOYSA-N 1 0 339.461 3.024 10 5 EGBERO C[C@H]1c2ccccc2OCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609145700 459912678 /nfs/dbraw/zinc/91/26/78/459912678.db2.gz LJHRCTSGSYHHFN-AWEZNQCLSA-N 1 0 328.368 3.429 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1(CO)CCC1 ZINC000593692156 459952765 /nfs/dbraw/zinc/95/27/65/459952765.db2.gz OXHHSZGXCWWEIH-RDJZCZTQSA-N 1 0 332.444 3.448 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3(CO)CCC3)o2)c1 ZINC000593692496 459954937 /nfs/dbraw/zinc/95/49/37/459954937.db2.gz AWJCQBFMAOMYPZ-UHFFFAOYSA-N 1 0 330.384 3.497 10 5 EGBERO Cc1ccc2nc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cn2c1 ZINC000575495535 459977969 /nfs/dbraw/zinc/97/79/69/459977969.db2.gz PQPZPTSECIVDDC-UHFFFAOYSA-N 1 0 349.394 3.365 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3nc4c(s3)CCC4)c2c1 ZINC000588933853 460006979 /nfs/dbraw/zinc/00/69/79/460006979.db2.gz GGOUCKPINWZKAD-UHFFFAOYSA-N 1 0 342.424 3.354 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000597664971 460023234 /nfs/dbraw/zinc/02/32/34/460023234.db2.gz BNXPGPNSWAIERO-UHFFFAOYSA-N 1 0 328.372 3.072 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597857593 460082184 /nfs/dbraw/zinc/08/21/84/460082184.db2.gz GHZKWXQEWMJCSX-NVXWUHKLSA-N 1 0 347.459 3.153 10 5 EGBERO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599056765 460143785 /nfs/dbraw/zinc/14/37/85/460143785.db2.gz NMKUZNKMALLSBM-GXFFZTMASA-N 1 0 328.294 3.246 10 5 EGBERO C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000599057642 460144519 /nfs/dbraw/zinc/14/45/19/460144519.db2.gz QXAJKUKRIJPLNP-SCLBCKFNSA-N 1 0 328.368 3.476 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC([C@H]2CCOC2)CC1 ZINC000599065255 460149508 /nfs/dbraw/zinc/14/95/08/460149508.db2.gz JQINBXLOEGGHSA-HNNXBMFYSA-N 1 0 327.384 3.396 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC12CC2 ZINC000599091230 460157886 /nfs/dbraw/zinc/15/78/86/460157886.db2.gz IHSSWWYGUQMARY-UONOGXRCSA-N 1 0 331.416 3.482 10 5 EGBERO CC[C@@H](NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610530788 460177992 /nfs/dbraw/zinc/17/79/92/460177992.db2.gz FNXRFNMVLYVPGI-NVXWUHKLSA-N 1 0 348.447 3.218 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](CCCF)CC2)c1 ZINC000599666828 460302908 /nfs/dbraw/zinc/30/29/08/460302908.db2.gz DAWSRLOTODFMSF-UHFFFAOYSA-N 1 0 349.328 3.091 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CC2)CC1 ZINC000599672467 460304996 /nfs/dbraw/zinc/30/49/96/460304996.db2.gz GMOWIQSUWPFQKV-UHFFFAOYSA-N 1 0 347.415 3.198 10 5 EGBERO C/C=C/C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691028 460312410 /nfs/dbraw/zinc/31/24/10/460312410.db2.gz QEOAIBPUZDWRQS-NHZBNJEXSA-N 1 0 331.416 3.236 10 5 EGBERO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)cn1 ZINC000599702379 460316572 /nfs/dbraw/zinc/31/65/72/460316572.db2.gz HFBYHZWHJXGTAY-SFHVURJKSA-N 1 0 343.383 3.248 10 5 EGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599777251 460332038 /nfs/dbraw/zinc/33/20/38/460332038.db2.gz ANLJUJNANCJVRF-MRXNPFEDSA-N 1 0 332.404 3.123 10 5 EGBERO C[NH+](C)CC1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611712291 460436137 /nfs/dbraw/zinc/43/61/37/460436137.db2.gz ZXWORUFOHCQDKF-UHFFFAOYSA-N 1 0 329.404 3.070 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)o2)cc1 ZINC000600207192 460440680 /nfs/dbraw/zinc/44/06/80/460440680.db2.gz KDJJEYMGCCBLCK-HNAYVOBHSA-N 1 0 342.395 3.449 10 5 EGBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600230391 460452086 /nfs/dbraw/zinc/45/20/86/460452086.db2.gz SBFDBBRJLGFLPS-SFHVURJKSA-N 1 0 345.443 3.051 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600470710 460500954 /nfs/dbraw/zinc/50/09/54/460500954.db2.gz HZADEXZESFXHOO-MRXNPFEDSA-N 1 0 345.443 3.267 10 5 EGBERO C[NH+]1CCC(n2cc(Nc3c(F)cc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000601227877 460757943 /nfs/dbraw/zinc/75/79/43/460757943.db2.gz YGKKFBXFZVZPKS-UHFFFAOYSA-N 1 0 337.330 3.080 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601563126 460833626 /nfs/dbraw/zinc/83/36/26/460833626.db2.gz WIJQRLZOUOPVOX-CQSZACIVSA-N 1 0 348.447 3.172 10 5 EGBERO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310110 527935634 /nfs/dbraw/zinc/93/56/34/527935634.db2.gz VKJHDISQCPSOJT-OAHLLOKOSA-N 1 0 333.432 3.032 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000130560161 529179058 /nfs/dbraw/zinc/17/90/58/529179058.db2.gz JWJVHKGKCYRHER-SJORKVTESA-N 1 0 330.384 3.378 10 5 EGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000178675745 529204892 /nfs/dbraw/zinc/20/48/92/529204892.db2.gz YOTAHBTUFVPDSV-MLGOLLRUSA-N 1 0 347.440 3.402 10 5 EGBERO CC1([NH+]2CCCC2)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870252180 1295766161 /nfs/dbraw/zinc/76/61/61/1295766161.db2.gz MAPCEXAXAUDIBS-TWGQIWQCSA-N 1 0 343.427 3.085 10 5 EGBERO C[C@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786068 1296531654 /nfs/dbraw/zinc/53/16/54/1296531654.db2.gz YDMSSABWXGXCBL-PRTUASRFSA-N 1 0 332.404 3.027 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029185 1296677212 /nfs/dbraw/zinc/67/72/12/1296677212.db2.gz OTNVEOXCCBEZOU-NXEZZACHSA-N 1 0 335.301 3.021 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075553 1296721354 /nfs/dbraw/zinc/72/13/54/1296721354.db2.gz DOCUNRBVGJTLKE-OZVIIMIRSA-N 1 0 348.378 3.038 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872088161 1296726665 /nfs/dbraw/zinc/72/66/65/1296726665.db2.gz OVRTXNINFXQDLS-CMPLNLGQSA-N 1 0 336.413 3.229 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cncc(C)n1 ZINC000872088812 1296727508 /nfs/dbraw/zinc/72/75/08/1296727508.db2.gz RGFYUEWBFNISEN-GFCCVEGCSA-N 1 0 332.429 3.308 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872088164 1296727690 /nfs/dbraw/zinc/72/76/90/1296727690.db2.gz OVRTXNINFXQDLS-ZYHUDNBSSA-N 1 0 336.413 3.229 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCCC2)cc1 ZINC000872235841 1296837864 /nfs/dbraw/zinc/83/78/64/1296837864.db2.gz KXHHCNNMCFJARO-OALUTQOASA-N 1 0 347.459 3.015 10 5 EGBERO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(F)F ZINC000895535257 1309388599 /nfs/dbraw/zinc/38/85/99/1309388599.db2.gz PFCLYSJGFLHFHJ-UHFFFAOYSA-N 1 0 342.390 3.230 10 5 EGBERO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780807 1309515611 /nfs/dbraw/zinc/51/56/11/1309515611.db2.gz UXXVLNYTGNZVRF-AOOOYVTPSA-N 1 0 343.246 3.152 10 5 EGBERO CC(=O)c1cc(N[C@H](CC[NH+](C)C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000895889998 1309580981 /nfs/dbraw/zinc/58/09/81/1309580981.db2.gz AKLRHAQZAPDJSS-QGZVFWFLSA-N 1 0 342.399 3.297 10 5 EGBERO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000857929994 1328631208 /nfs/dbraw/zinc/63/12/08/1328631208.db2.gz BNWKYWIUABJXMN-OAHLLOKOSA-N 1 0 339.395 3.118 10 5 EGBERO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917073160 1319748750 /nfs/dbraw/zinc/74/87/50/1319748750.db2.gz GXUHMTCZOOJQGS-LBPRGKRZSA-N 1 0 333.392 3.055 10 5 EGBERO CC1(C)OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930605995 1328912454 /nfs/dbraw/zinc/91/24/54/1328912454.db2.gz KEIQMGYCYSQOLG-LBPRGKRZSA-N 1 0 329.194 3.014 10 5 EGBERO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000921586400 1322358942 /nfs/dbraw/zinc/35/89/42/1322358942.db2.gz ABDOLIBSEOULTA-VQCLRJIVSA-N 1 0 348.447 3.075 10 5 EGBERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000922312002 1322497765 /nfs/dbraw/zinc/49/77/65/1322497765.db2.gz PJJQBIHNTFDBQD-LLVKDONJSA-N 1 0 336.413 3.420 10 5 EGBERO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000925154522 1325067814 /nfs/dbraw/zinc/06/78/14/1325067814.db2.gz QMOCZTLLGJUJBM-FUHWJXTLSA-N 1 0 342.443 3.180 10 5 EGBERO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926848165 1327739914 /nfs/dbraw/zinc/73/99/14/1327739914.db2.gz AVJWAMXVMYUNLH-NXEZZACHSA-N 1 0 343.221 3.118 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC3(CCC3)O2)n1 ZINC000927010508 1327818963 /nfs/dbraw/zinc/81/89/63/1327818963.db2.gz LJVQAMIUVFRQIW-BZUAXINKSA-N 1 0 348.447 3.356 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC3(CCOCC3)O1)CCC2 ZINC000927018050 1327822785 /nfs/dbraw/zinc/82/27/85/1327822785.db2.gz XSJSYIGSQVBVNS-WMZOPIPTSA-N 1 0 346.427 3.290 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927070365 1327840077 /nfs/dbraw/zinc/84/00/77/1327840077.db2.gz ZMUBPQRMLCLFID-DWQUBVKVSA-N 1 0 336.407 3.460 10 5 EGBERO C/C=C\C[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340559 1329548590 /nfs/dbraw/zinc/54/85/90/1329548590.db2.gz LMRNVCVYBYTREF-NQHOJNORSA-N 1 0 329.404 3.284 10 5 EGBERO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863568588 1329563725 /nfs/dbraw/zinc/56/37/25/1329563725.db2.gz LPRICFKAAPXIBL-SQNIBIBYSA-N 1 0 326.396 3.410 10 5 EGBERO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000865955403 1329754327 /nfs/dbraw/zinc/75/43/27/1329754327.db2.gz JRGUFSUXEDLLBA-ZDUSSCGKSA-N 1 0 343.374 3.079 10 5 EGBERO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCC1(C)C ZINC000866112715 1330066506 /nfs/dbraw/zinc/06/65/06/1330066506.db2.gz KGXQMIJMCFWKPO-UHFFFAOYSA-N 1 0 329.347 3.117 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCCS1 ZINC000866477686 1330117173 /nfs/dbraw/zinc/11/71/73/1330117173.db2.gz ALPQIXFVEJHDLI-DOMZBBRYSA-N 1 0 337.445 3.187 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000868157824 1330256378 /nfs/dbraw/zinc/25/63/78/1330256378.db2.gz IKBOBOYFVCIQBW-HUUCEWRRSA-N 1 0 346.431 3.251 10 5 EGBERO CC[C@](O)(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC001192928564 1367905863 /nfs/dbraw/zinc/90/58/63/1367905863.db2.gz LFDKUAWNRXGWKZ-AWEZNQCLSA-N 1 0 332.322 3.263 10 5 EGBERO CN(C)c1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001194477243 1368271211 /nfs/dbraw/zinc/27/12/11/1368271211.db2.gz JFKDZTOEHISDAX-INIZCTEOSA-N 1 0 340.427 3.435 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001197798090 1368899914 /nfs/dbraw/zinc/89/99/14/1368899914.db2.gz LKJSUCVJIWPFOI-CQSZACIVSA-N 1 0 333.432 3.052 10 5 EGBERO Cc1cc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])s1 ZINC001187931657 1388193002 /nfs/dbraw/zinc/19/30/02/1388193002.db2.gz LZMBMWAHDKZUEA-AWEZNQCLSA-N 1 0 335.404 3.125 10 5 EGBERO CCC(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266628770 1377351448 /nfs/dbraw/zinc/35/14/48/1377351448.db2.gz QXQPVHNQGKNGGH-HDJSIYSDSA-N 1 0 339.461 3.219 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001136732734 1377418727 /nfs/dbraw/zinc/41/87/27/1377418727.db2.gz DXOKLIVYIJIJAT-BPQIPLTHSA-N 1 0 345.443 3.079 10 5 EGBERO CCCC[N@H+](C)C[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001141698394 1378363359 /nfs/dbraw/zinc/36/33/59/1378363359.db2.gz CIORNWKUKUUMEE-HNNXBMFYSA-N 1 0 347.459 3.253 10 5 EGBERO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc([N+](=O)[O-])c1 ZINC001142143225 1378416042 /nfs/dbraw/zinc/41/60/42/1378416042.db2.gz PFLHWMLQCMQDGQ-UHFFFAOYSA-N 1 0 331.347 3.356 10 5 EGBERO C[NH+](C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)C1CCCCC1 ZINC001162103642 1382629586 /nfs/dbraw/zinc/62/95/86/1382629586.db2.gz JVLIZCPERJURED-KRWDZBQOSA-N 1 0 339.411 3.149 10 5 EGBERO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2c1 ZINC001162652183 1382821957 /nfs/dbraw/zinc/82/19/57/1382821957.db2.gz HSBPSVOUZROAMS-CQSZACIVSA-N 1 0 341.415 3.214 10 5 EGBERO C[NH+](C)[C@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001307149294 1383946254 /nfs/dbraw/zinc/94/62/54/1383946254.db2.gz FMAZTDOHYUFYKK-GJZGRUSLSA-N 1 0 348.834 3.359 10 5 EGBERO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547604 1384001321 /nfs/dbraw/zinc/00/13/21/1384001321.db2.gz DYTFCQPKGDLGHO-WMLDXEAASA-N 1 0 345.443 3.385 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001307668825 1384011089 /nfs/dbraw/zinc/01/10/89/1384011089.db2.gz PPSVRGNSNPXPRC-ZDUSSCGKSA-N 1 0 349.431 3.490 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](CC3([C@@H]4CCCCO4)CCC3)CC2)n1 ZINC001307736252 1384022388 /nfs/dbraw/zinc/02/23/88/1384022388.db2.gz FNFGPHCIKNYBOB-INIZCTEOSA-N 1 0 348.447 3.168 10 5 EGBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H](C)C1 ZINC001307842822 1384041187 /nfs/dbraw/zinc/04/11/87/1384041187.db2.gz RTGVJBFDUJHHCY-KKUMJFAQSA-N 1 0 345.443 3.288 10 5 EGBERO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001307971672 1384066548 /nfs/dbraw/zinc/06/65/48/1384066548.db2.gz CVPDYLXFHHOBIX-SFHVURJKSA-N 1 0 328.416 3.197 10 5 EGBERO O=C(CCC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001317105068 1384868285 /nfs/dbraw/zinc/86/82/85/1384868285.db2.gz SRSUDLSANLVSRI-CALCHBBNSA-N 1 0 345.443 3.302 10 5 EGBERO C[C@H](C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC001175982166 1385452216 /nfs/dbraw/zinc/45/22/16/1385452216.db2.gz BHKGCLQEQIKSOG-CYBMUJFWSA-N 1 0 333.432 3.098 10 5 EGBERO CC[N@H+](C)[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177588027 1386001981 /nfs/dbraw/zinc/00/19/81/1386001981.db2.gz OOBGGOBKHJWFSJ-RDTXWAMCSA-N 1 0 341.411 3.465 10 5 EGBERO CC(C)=CC(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001698688508 1406334334 /nfs/dbraw/zinc/33/43/34/1406334334.db2.gz LIGPXFWUTQZOMD-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO C/C=C(/C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001329279958 1389047499 /nfs/dbraw/zinc/04/74/99/1389047499.db2.gz LANLLZOYJVDNNI-SDQBBNPISA-N 1 0 339.461 3.197 10 5 EGBERO CC(C)N(CCN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccco1 ZINC001332675748 1390147205 /nfs/dbraw/zinc/14/72/05/1390147205.db2.gz CZPRHILUMFSBOI-UHFFFAOYSA-N 1 0 345.399 3.170 10 5 EGBERO C=C/C(C)=C\CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691803476 1405516278 /nfs/dbraw/zinc/51/62/78/1405516278.db2.gz HEMJYAKEYDJRPX-OFPPURPOSA-N 1 0 343.427 3.102 10 5 EGBERO Cc1sccc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001699256058 1412599952 /nfs/dbraw/zinc/59/99/52/1412599952.db2.gz YHGROTAREDJULO-NSCUHMNNSA-N 1 0 345.424 3.041 10 5 EGBERO CC(C)=CC(=O)NCCC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001713685882 1418439180 /nfs/dbraw/zinc/43/91/80/1418439180.db2.gz XXQSSOOONFBBRH-UHFFFAOYSA-N 1 0 339.461 3.339 10 5 EGBERO CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713963441 1418743686 /nfs/dbraw/zinc/74/36/86/1418743686.db2.gz DATCNCPRECORBO-WKILWMFISA-N 1 0 347.459 3.404 10 5 EGBERO CC(C)CC1(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001714732893 1419486920 /nfs/dbraw/zinc/48/69/20/1419486920.db2.gz SGVNTPAJGMQBQC-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001714815657 1419526575 /nfs/dbraw/zinc/52/65/75/1419526575.db2.gz ZIJXDDIBKLQFDH-UHFFFAOYSA-N 1 0 339.411 3.060 10 5 EGBERO O=C(CCC1CCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001724785544 1425152577 /nfs/dbraw/zinc/15/25/77/1425152577.db2.gz VZWAVZPMAPIAOC-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO C/C=C(\C)C(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001731330980 1427270153 /nfs/dbraw/zinc/27/01/53/1427270153.db2.gz ODKLHTNVKWFUNH-LZWSPWQCSA-N 1 0 331.416 3.032 10 5 EGBERO CCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CCC1 ZINC001733721608 1429943194 /nfs/dbraw/zinc/94/31/94/1429943194.db2.gz HADWPDOOINEUHK-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC1=C(c2ccco2)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368481103 168362097 /nfs/dbraw/zinc/36/20/97/168362097.db2.gz DSKLJCNBJAJDLG-KRWDZBQOSA-N 1 0 328.368 3.401 10 5 EGBERO Cc1sc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068133156 215280779 /nfs/dbraw/zinc/28/07/79/215280779.db2.gz KJPIXNXYYGFLRS-ZDUSSCGKSA-N 1 0 337.445 3.055 10 5 EGBERO CC(C)C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000040051450 213255719 /nfs/dbraw/zinc/25/57/19/213255719.db2.gz DISKLYRRARZRTG-INIZCTEOSA-N 1 0 334.420 3.227 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000129802649 223093618 /nfs/dbraw/zinc/09/36/18/223093618.db2.gz XHLHDXLKGVVZBQ-UHFFFAOYSA-N 1 0 339.823 3.098 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812490 218170315 /nfs/dbraw/zinc/17/03/15/218170315.db2.gz OQDDKICIXYDBLH-YERXGYGTSA-N 1 0 338.411 3.437 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252666910 285083212 /nfs/dbraw/zinc/08/32/12/285083212.db2.gz CQMOEYIUDGXCIC-LBPRGKRZSA-N 1 0 340.221 3.032 10 5 EGBERO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000153540707 285091302 /nfs/dbraw/zinc/09/13/02/285091302.db2.gz MBEJMXVYVVSPQO-UHFFFAOYSA-N 1 0 346.818 3.356 10 5 EGBERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000159795562 533466145 /nfs/dbraw/zinc/46/61/45/533466145.db2.gz LWSPRPXGGRRRJW-SECBINFHSA-N 1 0 328.294 3.198 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000338046044 141080664 /nfs/dbraw/zinc/08/06/64/141080664.db2.gz JGBBYAMZYMCDFH-UGSOOPFHSA-N 1 0 333.432 3.144 10 5 EGBERO CC[C@H](NC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268282 141188688 /nfs/dbraw/zinc/18/86/88/141188688.db2.gz FBRAEPMJUCTCPU-VBQJREDUSA-N 1 0 348.447 3.170 10 5 EGBERO C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000344739817 144217785 /nfs/dbraw/zinc/21/77/85/144217785.db2.gz JZQTXVBUBZBOME-CYBMUJFWSA-N 1 0 338.367 3.337 10 5 EGBERO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000121341124 152344444 /nfs/dbraw/zinc/34/44/44/152344444.db2.gz TYTBEHHKDFPSDD-LLVKDONJSA-N 1 0 349.337 3.187 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccnc1 ZINC000341589190 155371212 /nfs/dbraw/zinc/37/12/12/155371212.db2.gz KFUBJBYLNNSSGK-OLZOCXBDSA-N 1 0 328.372 3.058 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000341051337 155129862 /nfs/dbraw/zinc/12/98/62/155129862.db2.gz DTEFJUWZOFFRBT-CHWSQXEVSA-N 1 0 344.415 3.069 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000125727056 162286179 /nfs/dbraw/zinc/28/61/79/162286179.db2.gz PUDKIDKWGBRLKG-GXTWGEPZSA-N 1 0 334.420 3.062 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000151982421 162610693 /nfs/dbraw/zinc/61/06/93/162610693.db2.gz KJCRMPQIOFFYNA-SFHVURJKSA-N 1 0 341.411 3.456 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249138944 163058084 /nfs/dbraw/zinc/05/80/84/163058084.db2.gz VWKSDIVSLWUPLV-KBPBESRZSA-N 1 0 334.420 3.158 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000352094368 165232124 /nfs/dbraw/zinc/23/21/24/165232124.db2.gz ZNEWZOCXXRFYSH-ZWKOTPCHSA-N 1 0 329.375 3.269 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCSC[C@H]3CCO)o2)cc1 ZINC000355083966 166102697 /nfs/dbraw/zinc/10/26/97/166102697.db2.gz VEKYKGKSFIOOJX-OAHLLOKOSA-N 1 0 348.424 3.155 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366812325 168143735 /nfs/dbraw/zinc/14/37/35/168143735.db2.gz UGGJYOJOEXLADJ-VKJFTORMSA-N 1 0 334.416 3.062 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000368057938 168305288 /nfs/dbraw/zinc/30/52/88/168305288.db2.gz OYQSNZGMDAHRAX-AEFFLSMTSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1cccc(NC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C2)[nH+]1 ZINC000171365299 227042845 /nfs/dbraw/zinc/04/28/45/227042845.db2.gz FOXRYCJTGHUEKJ-CYBMUJFWSA-N 1 0 330.363 3.376 10 5 EGBERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635417 266331729 /nfs/dbraw/zinc/33/17/29/266331729.db2.gz HDMIFGWDPWDQCD-ZWKOTPCHSA-N 1 0 329.400 3.194 10 5 EGBERO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635409 266332316 /nfs/dbraw/zinc/33/23/16/266332316.db2.gz HDMIFGWDPWDQCD-QZTJIDSGSA-N 1 0 329.400 3.194 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120177578 274277493 /nfs/dbraw/zinc/27/74/93/274277493.db2.gz ASKCPHWNCDMHKU-AWEZNQCLSA-N 1 0 331.416 3.133 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)CN([C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000355691490 275037628 /nfs/dbraw/zinc/03/76/28/275037628.db2.gz HCESEDISUKNEDR-FQEVSTJZSA-N 1 0 337.423 3.227 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278589170 275256900 /nfs/dbraw/zinc/25/69/00/275256900.db2.gz GRCYTRUXTNQSRB-UHFFFAOYSA-N 1 0 331.319 3.402 10 5 EGBERO Nc1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000288141019 276186045 /nfs/dbraw/zinc/18/60/45/276186045.db2.gz YUQLRVAXIYZZCO-HNNXBMFYSA-N 1 0 332.448 3.269 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000252059582 281198366 /nfs/dbraw/zinc/19/83/66/281198366.db2.gz ZOZQMTOYSCQSGK-HOTGVXAUSA-N 1 0 345.443 3.417 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000162518096 307913852 /nfs/dbraw/zinc/91/38/52/307913852.db2.gz KEXDHSSFWXLCGU-GJZGRUSLSA-N 1 0 349.431 3.346 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453186 308003416 /nfs/dbraw/zinc/00/34/16/308003416.db2.gz YYUKVHDOFTVJER-BLLLJJGKSA-N 1 0 325.840 3.410 10 5 EGBERO C[N@@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293608094 308146128 /nfs/dbraw/zinc/14/61/28/308146128.db2.gz PJISWVOEZGLFFG-HNNXBMFYSA-N 1 0 343.349 3.141 10 5 EGBERO Cc1cc([N+](=O)[O-])cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c1=O ZINC000412999123 309011544 /nfs/dbraw/zinc/01/15/44/309011544.db2.gz KKMQFJRIGRQFCD-UHFFFAOYSA-N 1 0 341.411 3.099 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)C[NH3+] ZINC000415059730 309117457 /nfs/dbraw/zinc/11/74/57/309117457.db2.gz YTDDLLWYDAJLME-FZKQIMNGSA-N 1 0 329.400 3.272 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC3(CC[NH2+]3)CC2)o1 ZINC000422561827 309361721 /nfs/dbraw/zinc/36/17/21/309361721.db2.gz NNPCFSRFAFUSRZ-UHFFFAOYSA-N 1 0 327.384 3.183 10 5 EGBERO Cc1nc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432921388 309673085 /nfs/dbraw/zinc/67/30/85/309673085.db2.gz BJQKVHSEOOPHBX-OAHLLOKOSA-N 1 0 328.372 3.427 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000433007665 309675295 /nfs/dbraw/zinc/67/52/95/309675295.db2.gz WBNOBXFISBBGAD-KVULBXGLSA-N 1 0 331.416 3.400 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000455090415 310344068 /nfs/dbraw/zinc/34/40/68/310344068.db2.gz GUVLFGUYHGYCGU-AWEZNQCLSA-N 1 0 348.447 3.077 10 5 EGBERO C[S@](=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442810398 309888210 /nfs/dbraw/zinc/88/82/10/309888210.db2.gz NFWQZJOTSLFBRD-XDHUDOTRSA-N 1 0 344.436 3.185 10 5 EGBERO COc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447603567 309984138 /nfs/dbraw/zinc/98/41/38/309984138.db2.gz WYOMOOFMCURRCK-HUUCEWRRSA-N 1 0 348.378 3.213 10 5 EGBERO COC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000452110798 310212810 /nfs/dbraw/zinc/21/28/10/310212810.db2.gz ZZNRXBBZSCJKKU-AWEZNQCLSA-N 1 0 345.399 3.498 10 5 EGBERO C[N@H+](CC1CC1)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488126853 311052461 /nfs/dbraw/zinc/05/24/61/311052461.db2.gz OEDGVUDEIOYCGK-HNNXBMFYSA-N 1 0 340.427 3.311 10 5 EGBERO CCc1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000514812725 312246725 /nfs/dbraw/zinc/24/67/25/312246725.db2.gz QRKKURCHMVOPJY-UHFFFAOYSA-N 1 0 330.413 3.427 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000536842625 314149165 /nfs/dbraw/zinc/14/91/65/314149165.db2.gz ADLCAMCNYHDQGP-AAEUAGOBSA-N 1 0 341.358 3.479 10 5 EGBERO COc1cccc(F)c1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000538259644 314235450 /nfs/dbraw/zinc/23/54/50/314235450.db2.gz KKWUTEXVQREQIG-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO Cc1ccc2[nH+]ccc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2c1 ZINC000545484283 314766968 /nfs/dbraw/zinc/76/69/68/314766968.db2.gz LQEUGEFEFKOZIR-UHFFFAOYSA-N 1 0 349.394 3.173 10 5 EGBERO Cc1cc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000552100899 315197931 /nfs/dbraw/zinc/19/79/31/315197931.db2.gz YPLXWFQRUYTJEH-YOEHRIQHSA-N 1 0 329.400 3.435 10 5 EGBERO C[NH+](C)CC1(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000553727085 315278732 /nfs/dbraw/zinc/27/87/32/315278732.db2.gz VAILJOZNINFSOK-UHFFFAOYSA-N 1 0 347.459 3.458 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+](CC/C=C/c3ccccc3)CC2)cn1 ZINC000564044518 316105784 /nfs/dbraw/zinc/10/57/84/316105784.db2.gz QNSLELAJFQLRRZ-XBXARRHUSA-N 1 0 338.411 3.215 10 5 EGBERO O=C(CC[NH2+]CCCc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000571075144 317148178 /nfs/dbraw/zinc/14/81/78/317148178.db2.gz LIGGWTLXXZPJRW-UHFFFAOYSA-N 1 0 345.374 3.285 10 5 EGBERO Cc1cc(NCC2CC[NH2+]CC2)c(Br)cc1[N+](=O)[O-] ZINC000235871177 456154194 /nfs/dbraw/zinc/15/41/94/456154194.db2.gz PCTGTSHUQMMJIZ-UHFFFAOYSA-N 1 0 328.210 3.077 10 5 EGBERO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182294317 323540730 /nfs/dbraw/zinc/54/07/30/323540730.db2.gz PIYVCIHFCWGUDQ-LBPRGKRZSA-N 1 0 330.340 3.053 10 5 EGBERO Cc1ccc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000190449360 455319865 /nfs/dbraw/zinc/31/98/65/455319865.db2.gz UUIRVXDPWXUEOV-QGZVFWFLSA-N 1 0 340.427 3.257 10 5 EGBERO Cc1c(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000600737219 460584355 /nfs/dbraw/zinc/58/43/55/460584355.db2.gz HEJBCFFFVLQKFN-FZMZJTMJSA-N 1 0 331.338 3.005 10 5 EGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000071936981 454260433 /nfs/dbraw/zinc/26/04/33/454260433.db2.gz FJDAADUAVOCYAM-NSHDSACASA-N 1 0 342.827 3.346 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000120839659 454355100 /nfs/dbraw/zinc/35/51/00/454355100.db2.gz CRSXDXBOQJHGQA-LSDHHAIUSA-N 1 0 346.431 3.302 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000092656907 454602494 /nfs/dbraw/zinc/60/24/94/454602494.db2.gz KQBXUVOGXZQECX-DGCLKSJQSA-N 1 0 343.374 3.363 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805074 454657005 /nfs/dbraw/zinc/65/70/05/454657005.db2.gz ITQWWVOGLCLMNU-CYBMUJFWSA-N 1 0 327.388 3.022 10 5 EGBERO COC(=O)c1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c(C)s1 ZINC000153280239 454777934 /nfs/dbraw/zinc/77/79/34/454777934.db2.gz GPJRDOMVQIKREV-UHFFFAOYSA-N 1 0 346.408 3.310 10 5 EGBERO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000153764405 454830491 /nfs/dbraw/zinc/83/04/91/454830491.db2.gz GJNFDEQICKVBOA-CVEARBPZSA-N 1 0 346.431 3.382 10 5 EGBERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000150895778 454909857 /nfs/dbraw/zinc/90/98/57/454909857.db2.gz OYCJSOHQBUPFDY-CQSZACIVSA-N 1 0 337.383 3.069 10 5 EGBERO O=c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c2c(ccc3ccccc32)o1 ZINC000178623920 454965681 /nfs/dbraw/zinc/96/56/81/454965681.db2.gz FYLUBCOSQZMSPF-QGZVFWFLSA-N 1 0 334.419 3.226 10 5 EGBERO C[NH+](C)C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128582580 455069543 /nfs/dbraw/zinc/06/95/43/455069543.db2.gz NKWFYVJJYFSLQF-INIZCTEOSA-N 1 0 347.802 3.281 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000129025497 455095178 /nfs/dbraw/zinc/09/51/78/455095178.db2.gz RBCJTLZLEFSYLC-KSSFIOAISA-N 1 0 339.395 3.359 10 5 EGBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2cccnc2)cc1 ZINC000181275671 455311083 /nfs/dbraw/zinc/31/10/83/455311083.db2.gz JLZWYEMASUVZJH-AWEZNQCLSA-N 1 0 337.383 3.204 10 5 EGBERO C[C@H](C[NH+]1CCCCC1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600994899 460669153 /nfs/dbraw/zinc/66/91/53/460669153.db2.gz CBWHBTWRMHHLAE-OAHLLOKOSA-N 1 0 345.443 3.007 10 5 EGBERO CC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])OCCCO1 ZINC000190649843 455359932 /nfs/dbraw/zinc/35/99/32/455359932.db2.gz SBYQNYWYQSYVBD-GOEBONIOSA-N 1 0 334.416 3.049 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000246825715 455528306 /nfs/dbraw/zinc/52/83/06/455528306.db2.gz AJAGKROLLGKJDY-KGLIPLIRSA-N 1 0 349.456 3.016 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccs1 ZINC000192798432 455696014 /nfs/dbraw/zinc/69/60/14/455696014.db2.gz TYOWXBLUKWAVIS-LLVKDONJSA-N 1 0 349.412 3.344 10 5 EGBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000284727221 455732596 /nfs/dbraw/zinc/73/25/96/455732596.db2.gz KCZDYEFYVCSSFT-CYBMUJFWSA-N 1 0 339.823 3.129 10 5 EGBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285015998 455777849 /nfs/dbraw/zinc/77/78/49/455777849.db2.gz ZKCZUNUUKBFKAE-CQSZACIVSA-N 1 0 339.823 3.129 10 5 EGBERO Cc1sc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187267349 455889268 /nfs/dbraw/zinc/88/92/68/455889268.db2.gz HYKKSTHXWVDDCX-BDJLRTHQSA-N 1 0 347.440 3.386 10 5 EGBERO CSc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000188188240 456016880 /nfs/dbraw/zinc/01/68/80/456016880.db2.gz NBUJDWPJZRDWJO-GFCCVEGCSA-N 1 0 339.461 3.023 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000289862381 456159829 /nfs/dbraw/zinc/15/98/29/456159829.db2.gz RDAYDBLVFMVGBR-JSGCOSHPSA-N 1 0 334.420 3.104 10 5 EGBERO COc1cc(NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000301637815 456170854 /nfs/dbraw/zinc/17/08/54/456170854.db2.gz XNCZJYKLOWXYFQ-MRXNPFEDSA-N 1 0 333.363 3.457 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000301799144 456217790 /nfs/dbraw/zinc/21/77/90/456217790.db2.gz VAZDSIGJRXPHDO-LRDDRELGSA-N 1 0 349.406 3.196 10 5 EGBERO Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302037373 456273059 /nfs/dbraw/zinc/27/30/59/456273059.db2.gz VEMUZXOXHFFXNE-CQSZACIVSA-N 1 0 326.400 3.126 10 5 EGBERO COc1cc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352778020 456298096 /nfs/dbraw/zinc/29/80/96/456298096.db2.gz IUCUMNVJARTELZ-FZKQIMNGSA-N 1 0 336.432 3.270 10 5 EGBERO COc1cc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352784081 456302917 /nfs/dbraw/zinc/30/29/17/456302917.db2.gz MTEFVINWSNPJAI-MRXNPFEDSA-N 1 0 332.404 3.214 10 5 EGBERO C[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCCC1 ZINC000337650597 456457625 /nfs/dbraw/zinc/45/76/25/456457625.db2.gz KZMAFGHNQJJABS-UHFFFAOYSA-N 1 0 346.431 3.156 10 5 EGBERO COc1cccc([C@@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000359088553 457052412 /nfs/dbraw/zinc/05/24/12/457052412.db2.gz ZMQZSOGVLFIIJX-MRXNPFEDSA-N 1 0 344.415 3.330 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000360918604 457432658 /nfs/dbraw/zinc/43/26/58/457432658.db2.gz KJIQIDZUKSDDSD-DYVFJYSZSA-N 1 0 327.384 3.123 10 5 EGBERO COc1cc(CN2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000352533994 457445070 /nfs/dbraw/zinc/44/50/70/457445070.db2.gz BYERDNOSZFJGRD-UHFFFAOYSA-N 1 0 333.432 3.054 10 5 EGBERO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000352546692 457456192 /nfs/dbraw/zinc/45/61/92/457456192.db2.gz ZDYWPDIKXFSCBK-CVEARBPZSA-N 1 0 333.432 3.051 10 5 EGBERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000374328052 457587448 /nfs/dbraw/zinc/58/74/48/457587448.db2.gz IXPXABCBGUEGCH-UHFFFAOYSA-N 1 0 338.407 3.441 10 5 EGBERO Cc1c(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000364775924 457690949 /nfs/dbraw/zinc/69/09/49/457690949.db2.gz YXGCMIXVGZCKDU-LBPRGKRZSA-N 1 0 342.399 3.493 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361894370 457938612 /nfs/dbraw/zinc/93/86/12/457938612.db2.gz OOJJAFGROJVZMA-IIAWOOMASA-N 1 0 334.416 3.288 10 5 EGBERO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411990357 458035145 /nfs/dbraw/zinc/03/51/45/458035145.db2.gz SOGNQSWXYOPXAV-QGZVFWFLSA-N 1 0 326.400 3.061 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000429121880 458275799 /nfs/dbraw/zinc/27/57/99/458275799.db2.gz IIMSGEBBOZTUBK-GTNSWQLSSA-N 1 0 348.424 3.457 10 5 EGBERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470184454 458623628 /nfs/dbraw/zinc/62/36/28/458623628.db2.gz VSOJEOAPADIEFA-WTQUMQLASA-N 1 0 345.443 3.331 10 5 EGBERO Cc1cnc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432914745 458812517 /nfs/dbraw/zinc/81/25/17/458812517.db2.gz BVCQSRUDEKHTTA-AWEZNQCLSA-N 1 0 328.372 3.427 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441024101 458876531 /nfs/dbraw/zinc/87/65/31/458876531.db2.gz GKGFHKVWMFVOPQ-DJJJIMSYSA-N 1 0 342.395 3.427 10 5 EGBERO Cc1ccc(C)c(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000557251198 459059428 /nfs/dbraw/zinc/05/94/28/459059428.db2.gz QGHGJZYNJXNUIE-SFHVURJKSA-N 1 0 344.411 3.083 10 5 EGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499162 459063333 /nfs/dbraw/zinc/06/33/33/459063333.db2.gz AYAUMJWOIIGIDH-QGZVFWFLSA-N 1 0 328.416 3.155 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594500337 459063360 /nfs/dbraw/zinc/06/33/60/459063360.db2.gz OMECFMFPGRODML-UHFFFAOYSA-N 1 0 334.807 3.113 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509512 459067765 /nfs/dbraw/zinc/06/77/65/459067765.db2.gz JETAPMAIRMJMBD-BSXFFOKHSA-N 1 0 335.448 3.133 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594510014 459068168 /nfs/dbraw/zinc/06/81/68/459068168.db2.gz MVJYYYHNHWHACR-AYDFFVQHSA-N 1 0 335.448 3.052 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512051 459071444 /nfs/dbraw/zinc/07/14/44/459071444.db2.gz SUMNBZVNHILRKT-JONQDZQNSA-N 1 0 335.448 3.052 10 5 EGBERO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591775 459101142 /nfs/dbraw/zinc/10/11/42/459101142.db2.gz KCIQKXNGFJYNNP-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532967237 459166657 /nfs/dbraw/zinc/16/66/57/459166657.db2.gz OORPMFJGKUOJLE-OAHLLOKOSA-N 1 0 331.416 3.139 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCC(O)CC3)cs2)c1 ZINC000594991127 459207105 /nfs/dbraw/zinc/20/71/05/459207105.db2.gz DMPBPJXRSJHARL-UHFFFAOYSA-N 1 0 347.440 3.359 10 5 EGBERO C[C@H]1CCCCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628674 459209741 /nfs/dbraw/zinc/20/97/41/459209741.db2.gz YTCFZGQGBMUVNA-YJBOKZPZSA-N 1 0 331.460 3.380 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595002010 459210977 /nfs/dbraw/zinc/21/09/77/459210977.db2.gz ZSHQBCSFDBFUMI-XNTDXEJSSA-N 1 0 345.443 3.414 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000595046712 459227958 /nfs/dbraw/zinc/22/79/58/459227958.db2.gz CYYJHTRWLAMCHK-CYBMUJFWSA-N 1 0 334.416 3.197 10 5 EGBERO C[C@H](CSCCF)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595052183 459229328 /nfs/dbraw/zinc/22/93/28/459229328.db2.gz QTQPDNPHAFOYQW-LLVKDONJSA-N 1 0 325.409 3.299 10 5 EGBERO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595062918 459233143 /nfs/dbraw/zinc/23/31/43/459233143.db2.gz BDJRLURWQYHSBD-IAGOWNOFSA-N 1 0 339.395 3.223 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595092559 459241995 /nfs/dbraw/zinc/24/19/95/459241995.db2.gz KUDFJIWADFGODL-GWCFXTLKSA-N 1 0 341.358 3.193 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000591301693 459349520 /nfs/dbraw/zinc/34/95/20/459349520.db2.gz QBLMNLRWESOCCV-UHFFFAOYSA-N 1 0 346.431 3.209 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595606935 459364283 /nfs/dbraw/zinc/36/42/83/459364283.db2.gz XYXQWNSBINLMDA-MAUKXSAKSA-N 1 0 348.443 3.427 10 5 EGBERO O=C(CC[N@H+](CCC1CC1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595872385 459469693 /nfs/dbraw/zinc/46/96/93/459469693.db2.gz XFCXCTRWVQJITA-UHFFFAOYSA-N 1 0 331.416 3.436 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CNCC23CC(C2)C[NH2+]3)s1 ZINC000596106072 459523705 /nfs/dbraw/zinc/52/37/05/459523705.db2.gz PCLAMTSBMHKWDN-UHFFFAOYSA-N 1 0 329.425 3.165 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CC[C@H](O)CC1 ZINC000592130324 459529825 /nfs/dbraw/zinc/52/98/25/459529825.db2.gz BVCFTJAXFGHHTF-SZMVWBNQSA-N 1 0 348.443 3.127 10 5 EGBERO CC[NH+](CC)[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141612 459534962 /nfs/dbraw/zinc/53/49/62/459534962.db2.gz HWGFDTNQTQEDAA-NSHDSACASA-N 1 0 327.812 3.177 10 5 EGBERO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000596290883 459587047 /nfs/dbraw/zinc/58/70/47/459587047.db2.gz FYLWEMYOILQLCJ-MRXNPFEDSA-N 1 0 329.400 3.173 10 5 EGBERO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392390 459588722 /nfs/dbraw/zinc/58/87/22/459588722.db2.gz QMEUITKUARRHET-ABAIWWIYSA-N 1 0 338.358 3.299 10 5 EGBERO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308828 459591921 /nfs/dbraw/zinc/59/19/21/459591921.db2.gz WEXJBKDBBKENER-AWEZNQCLSA-N 1 0 348.447 3.018 10 5 EGBERO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631910 459677982 /nfs/dbraw/zinc/67/79/82/459677982.db2.gz OQUYZTOHXRLNHG-RDJZCZTQSA-N 1 0 347.459 3.420 10 5 EGBERO COc1cc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000596564484 459678217 /nfs/dbraw/zinc/67/82/17/459678217.db2.gz ZPHFFDYPFXDABQ-UHFFFAOYSA-N 1 0 337.395 3.276 10 5 EGBERO CCC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000501806118 459746746 /nfs/dbraw/zinc/74/67/46/459746746.db2.gz QZJAWNMPSLMOQB-CRAIPNDOSA-N 1 0 335.448 3.089 10 5 EGBERO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[C@H]1O ZINC000597203947 459876672 /nfs/dbraw/zinc/87/66/72/459876672.db2.gz AVBURLHQDKGCCL-MCBXIFIFSA-N 1 0 330.384 3.304 10 5 EGBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476726 459900835 /nfs/dbraw/zinc/90/08/35/459900835.db2.gz YBBSZOKFKQFGGU-UKRRQHHQSA-N 1 0 326.400 3.206 10 5 EGBERO Cn1cc(C[NH2+]CC[C@@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598649242 459977058 /nfs/dbraw/zinc/97/70/58/459977058.db2.gz SPDAKNBOPMMJRD-CYBMUJFWSA-N 1 0 336.342 3.130 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)cn2)n1 ZINC000618572170 460067377 /nfs/dbraw/zinc/06/73/77/460067377.db2.gz LTTHSRJYPWHRAV-ZIAGYGMSSA-N 1 0 335.795 3.113 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H](SC)C2)c1 ZINC000589505925 460097647 /nfs/dbraw/zinc/09/76/47/460097647.db2.gz RESWPWWODPEVIM-CQSZACIVSA-N 1 0 338.429 3.099 10 5 EGBERO C[N@@H+]1CCC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@H]21 ZINC000599055550 460142842 /nfs/dbraw/zinc/14/28/42/460142842.db2.gz HUDMQHQSVFNKIU-GDBMZVCRSA-N 1 0 326.400 3.064 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000599057641 460143706 /nfs/dbraw/zinc/14/37/06/460143706.db2.gz QXAJKUKRIJPLNP-FZKQIMNGSA-N 1 0 328.368 3.476 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000599056768 460143988 /nfs/dbraw/zinc/14/39/88/460143988.db2.gz NNLGUMUHLKZCQR-ACJLOTCBSA-N 1 0 328.368 3.476 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075064 460152403 /nfs/dbraw/zinc/15/24/03/460152403.db2.gz RVMUCNZWSGYBGO-UGSOOPFHSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599085369 460156833 /nfs/dbraw/zinc/15/68/33/460156833.db2.gz ZMEFHZHMLXFRFS-FLTUCWPJSA-N 1 0 331.416 3.338 10 5 EGBERO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599094680 460159038 /nfs/dbraw/zinc/15/90/38/460159038.db2.gz XRJFXSDDKXYOEY-IAGOWNOFSA-N 1 0 343.427 3.060 10 5 EGBERO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599348093 460233749 /nfs/dbraw/zinc/23/37/49/460233749.db2.gz BXGHRNPLUJIMJH-NSHDSACASA-N 1 0 347.337 3.046 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)cc1 ZINC000599552633 460272650 /nfs/dbraw/zinc/27/26/50/460272650.db2.gz GSPHUCAVCOMOAL-KGLIPLIRSA-N 1 0 346.412 3.115 10 5 EGBERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625185 460291369 /nfs/dbraw/zinc/29/13/69/460291369.db2.gz GXKRVIKEXZIQBN-SQRMYFJTSA-N 1 0 346.387 3.107 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CC2)CC1 ZINC000599672472 460305723 /nfs/dbraw/zinc/30/57/23/460305723.db2.gz GXVLTPYESQJAEP-UHFFFAOYSA-N 1 0 331.416 3.498 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000611517016 460383769 /nfs/dbraw/zinc/38/37/69/460383769.db2.gz BLYMBWHUJJFSJJ-GDBMZVCRSA-N 1 0 334.416 3.242 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000611555420 460397470 /nfs/dbraw/zinc/39/74/70/460397470.db2.gz CFSSADWUEXIOGV-ZDUSSCGKSA-N 1 0 328.416 3.329 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228347 460450536 /nfs/dbraw/zinc/45/05/36/460450536.db2.gz KEYUOFZQAGKWGV-MRXNPFEDSA-N 1 0 331.416 3.040 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)C1CC1 ZINC000161421564 534887661 /nfs/dbraw/zinc/88/76/61/534887661.db2.gz JNGRAUDDGXKKLS-RBUKOAKNSA-N 1 0 340.423 3.282 10 5 EGBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000870258666 1295769862 /nfs/dbraw/zinc/76/98/62/1295769862.db2.gz QEUUCYXGVPOKRH-UHFFFAOYSA-N 1 0 349.406 3.133 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000870991373 1296168551 /nfs/dbraw/zinc/16/85/51/1296168551.db2.gz FMFPONDZCFTPAE-INIZCTEOSA-N 1 0 339.823 3.085 10 5 EGBERO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039278 1296688561 /nfs/dbraw/zinc/68/85/61/1296688561.db2.gz RYXUSPKWZRLISR-CYBMUJFWSA-N 1 0 340.395 3.218 10 5 EGBERO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051588 1296702974 /nfs/dbraw/zinc/70/29/74/1296702974.db2.gz LNOCZHVHWYCUCX-STQMWFEESA-N 1 0 330.363 3.058 10 5 EGBERO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053987 1296704219 /nfs/dbraw/zinc/70/42/19/1296704219.db2.gz OBDJESDFIWHPSL-SMDDNHRTSA-N 1 0 336.338 3.127 10 5 EGBERO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065247 1296711869 /nfs/dbraw/zinc/71/18/69/1296711869.db2.gz WIKTXQGYCCVJQO-HIFRSBDPSA-N 1 0 332.375 3.297 10 5 EGBERO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089980 1296728574 /nfs/dbraw/zinc/72/85/74/1296728574.db2.gz JAJKGKSAPPWRMN-GFCCVEGCSA-N 1 0 337.395 3.033 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151476 1296768845 /nfs/dbraw/zinc/76/88/45/1296768845.db2.gz KYFLGDHFSJFVCO-WDMOLILDSA-N 1 0 331.338 3.033 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872282041 1296891080 /nfs/dbraw/zinc/89/10/80/1296891080.db2.gz ZSVQCRJNWYVGIT-ROUUACIJSA-N 1 0 334.416 3.052 10 5 EGBERO CCc1[nH]c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000894851277 1309099537 /nfs/dbraw/zinc/09/95/37/1309099537.db2.gz OVNIHKBPTNQPQS-UHFFFAOYSA-N 1 0 345.399 3.297 10 5 EGBERO CC(C)[C@H](Cc1ccccc1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895748009 1309502758 /nfs/dbraw/zinc/50/27/58/1309502758.db2.gz UUMXYWGXFCCQDX-HTWSVDAQSA-N 1 0 328.416 3.352 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464390 1328768576 /nfs/dbraw/zinc/76/85/76/1328768576.db2.gz LUBCFQUHJISDMT-CJNGLKHVSA-N 1 0 332.448 3.235 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859355810 1328974633 /nfs/dbraw/zinc/97/46/33/1328974633.db2.gz OMJVJJXXZFHJJG-CYBMUJFWSA-N 1 0 329.400 3.208 10 5 EGBERO Cc1c(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922672395 1322585119 /nfs/dbraw/zinc/58/51/19/1322585119.db2.gz CFKJJKRRDWXYEL-TZMCWYRMSA-N 1 0 332.322 3.493 10 5 EGBERO Cc1c(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922672393 1322585238 /nfs/dbraw/zinc/58/52/38/1322585238.db2.gz CFKJJKRRDWXYEL-JSGCOSHPSA-N 1 0 332.322 3.493 10 5 EGBERO COc1cc(C[NH2+][C@H]2CCSC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000922846745 1322631416 /nfs/dbraw/zinc/63/14/16/1322631416.db2.gz YFGFSVDJTDRSRS-LBPRGKRZSA-N 1 0 338.429 3.217 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287533 1329085832 /nfs/dbraw/zinc/08/58/32/1329085832.db2.gz ZZTCPLICRZJKQR-MRXNPFEDSA-N 1 0 347.459 3.151 10 5 EGBERO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[N@@H+]1C1CC1 ZINC000859964928 1329120580 /nfs/dbraw/zinc/12/05/80/1329120580.db2.gz MJFFROZXUGQKAL-JSGCOSHPSA-N 1 0 339.395 3.103 10 5 EGBERO CC1(C)C[C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778502 1325297969 /nfs/dbraw/zinc/29/79/69/1325297969.db2.gz SNUSZNNLLSGXSO-XHDPSFHLSA-N 1 0 339.386 3.152 10 5 EGBERO COc1ccnc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000926439489 1325554254 /nfs/dbraw/zinc/55/42/54/1325554254.db2.gz JXYJCHREJLVDLZ-LBPRGKRZSA-N 1 0 340.383 3.373 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000926959392 1327798005 /nfs/dbraw/zinc/79/80/05/1327798005.db2.gz SJZIHFKUNTZDAH-QMTHXVAHSA-N 1 0 349.353 3.137 10 5 EGBERO CC1(C)C[C@@H]([NH2+]CCOC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000927080136 1327849734 /nfs/dbraw/zinc/84/97/34/1327849734.db2.gz PWUAMBQTFYZHHV-QGZVFWFLSA-N 1 0 334.416 3.102 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927163719 1327901288 /nfs/dbraw/zinc/90/12/88/1327901288.db2.gz NRASLIHGAJRMSE-CZUORRHYSA-N 1 0 347.415 3.003 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000928009357 1328169978 /nfs/dbraw/zinc/16/99/78/1328169978.db2.gz OOWLQIPSNXOVQS-UHFFFAOYSA-N 1 0 349.406 3.261 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862162806 1329463366 /nfs/dbraw/zinc/46/33/66/1329463366.db2.gz NIMRADBHDNULOW-CQSZACIVSA-N 1 0 341.411 3.351 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCc3ccccc3CC2)c1 ZINC000863561970 1329563273 /nfs/dbraw/zinc/56/32/73/1329563273.db2.gz GAACHGTXQXTRDP-HXUWFJFHSA-N 1 0 340.423 3.413 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]Cc2cnc3c(cnn3C)c2)cc1[N+](=O)[O-] ZINC000865485972 1329704293 /nfs/dbraw/zinc/70/42/93/1329704293.db2.gz XBQMPFMSLTYUBH-LBPRGKRZSA-N 1 0 325.372 3.036 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865779257 1329737650 /nfs/dbraw/zinc/73/76/50/1329737650.db2.gz FVPZTMDESXIESQ-IKFRKZOMSA-N 1 0 346.427 3.173 10 5 EGBERO O=[N+]([O-])c1cc(CO)c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC000865965704 1329755364 /nfs/dbraw/zinc/75/53/64/1329755364.db2.gz PCODUGXEJZPLLF-AWEZNQCLSA-N 1 0 337.395 3.045 10 5 EGBERO CO[C@H](CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000866346134 1330100089 /nfs/dbraw/zinc/10/00/89/1330100089.db2.gz UPRGTNMOYZNRTQ-TVQRCGJNSA-N 1 0 338.301 3.222 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000866389189 1330105344 /nfs/dbraw/zinc/10/53/44/1330105344.db2.gz DSHFMGQWNWQZOC-KMUNFCNLSA-N 1 0 344.333 3.069 10 5 EGBERO C[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001183837533 1387356644 /nfs/dbraw/zinc/35/66/44/1387356644.db2.gz XCVZDCGUSUPXOO-XQQFMLRXSA-N 1 0 342.399 3.343 10 5 EGBERO CC[NH+](CC)CCOCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186053359 1387856932 /nfs/dbraw/zinc/85/69/32/1387856932.db2.gz CCECHYXBXOXDBL-UHFFFAOYSA-N 1 0 349.353 3.384 10 5 EGBERO CCOc1ccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cc1 ZINC001190650657 1367316564 /nfs/dbraw/zinc/31/65/64/1367316564.db2.gz CZPHJDWKHCKYDK-UHFFFAOYSA-N 1 0 346.431 3.409 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001196771838 1368681024 /nfs/dbraw/zinc/68/10/24/1368681024.db2.gz HDXLIIRIVPXXCL-MJGOQNOKSA-N 1 0 342.395 3.301 10 5 EGBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118811553 1371234622 /nfs/dbraw/zinc/23/46/22/1371234622.db2.gz BVKBKDOBWXQIAU-OAHLLOKOSA-N 1 0 339.395 3.058 10 5 EGBERO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001187880630 1388182458 /nfs/dbraw/zinc/18/24/58/1388182458.db2.gz MAVKZSKJYZRIML-LLVKDONJSA-N 1 0 340.221 3.111 10 5 EGBERO C[C@H]1C[C@H](C)C[NH+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001189060929 1388449705 /nfs/dbraw/zinc/44/97/05/1388449705.db2.gz IWIQJXGHGCJMSN-GJZGRUSLSA-N 1 0 328.416 3.436 10 5 EGBERO CC[N@H+](CCNC(=O)c1cc(C)oc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001266375225 1377299372 /nfs/dbraw/zinc/29/93/72/1377299372.db2.gz LVKWRDGYFJLQDH-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001136400966 1377388884 /nfs/dbraw/zinc/38/88/84/1377388884.db2.gz FYVWHXCYUVANEV-WMZOPIPTSA-N 1 0 345.443 3.349 10 5 EGBERO C/C=C(\C)C(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269845388 1377580189 /nfs/dbraw/zinc/58/01/89/1377580189.db2.gz WJRSOFWYTLKQMS-CRKCGEKBSA-N 1 0 345.443 3.279 10 5 EGBERO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c(F)c1 ZINC001142142475 1378415817 /nfs/dbraw/zinc/41/58/17/1378415817.db2.gz BEUUFQOKXHGLPQ-UHFFFAOYSA-N 1 0 335.310 3.187 10 5 EGBERO CC/C(C)=C\C(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001283306806 1378795326 /nfs/dbraw/zinc/79/53/26/1378795326.db2.gz HDHCITCIBLLUDS-SQFISAMPSA-N 1 0 345.443 3.374 10 5 EGBERO CC[N@@H+]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC001162832528 1382889817 /nfs/dbraw/zinc/88/98/17/1382889817.db2.gz CUQRGPLATLLVEZ-LLVKDONJSA-N 1 0 331.338 3.452 10 5 EGBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001167665246 1383705164 /nfs/dbraw/zinc/70/51/64/1383705164.db2.gz ZDIDKFFHNLLNBB-IAGOWNOFSA-N 1 0 334.416 3.253 10 5 EGBERO CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167898449 1383767287 /nfs/dbraw/zinc/76/72/87/1383767287.db2.gz ODMBTLYCPQARCH-INIZCTEOSA-N 1 0 345.443 3.385 10 5 EGBERO C[N@H+](Cc1ccccc1)C1CN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC001307116451 1383942627 /nfs/dbraw/zinc/94/26/27/1383942627.db2.gz LALIYQRHRATAOK-UHFFFAOYSA-N 1 0 348.406 3.464 10 5 EGBERO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547605 1384001020 /nfs/dbraw/zinc/00/10/20/1384001020.db2.gz DYTFCQPKGDLGHO-YOEHRIQHSA-N 1 0 345.443 3.385 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001308054937 1384081742 /nfs/dbraw/zinc/08/17/42/1384081742.db2.gz MBFPBGVSZKLMJO-INIZCTEOSA-N 1 0 346.358 3.266 10 5 EGBERO CC(C)(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001316627799 1384492790 /nfs/dbraw/zinc/49/27/90/1384492790.db2.gz RSLVKRONLZEOKI-SHTZXODSSA-N 1 0 333.432 3.015 10 5 EGBERO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001171841537 1384657862 /nfs/dbraw/zinc/65/78/62/1384657862.db2.gz PIPOVZGHNMZGIW-CQSZACIVSA-N 1 0 332.322 3.259 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC001171916839 1384680711 /nfs/dbraw/zinc/68/07/11/1384680711.db2.gz RBJFKNIKDAHTKF-MRXNPFEDSA-N 1 0 348.443 3.381 10 5 EGBERO CCC[N@H+](CCNC(=O)C1(C)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317542522 1385283501 /nfs/dbraw/zinc/28/35/01/1385283501.db2.gz BDEDRXZTVNXWDF-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)F ZINC001332678349 1390149242 /nfs/dbraw/zinc/14/92/42/1390149242.db2.gz ZOFQGVAQNBAPRC-UHFFFAOYSA-N 1 0 339.411 3.012 10 5 EGBERO C[N@@H+]1CC[C@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001345263358 1390852190 /nfs/dbraw/zinc/85/21/90/1390852190.db2.gz AOKGLBVDKKDICT-GFCCVEGCSA-N 1 0 340.807 3.066 10 5 EGBERO C[C@H]1CC[C@H](C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001479809872 1392404698 /nfs/dbraw/zinc/40/46/98/1392404698.db2.gz LXQNNTXCEHQTLD-JCNLHEQBSA-N 1 0 347.459 3.359 10 5 EGBERO CC(C)(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001480138083 1392598730 /nfs/dbraw/zinc/59/87/30/1392598730.db2.gz SWJRVVWKQMAIIP-WKILWMFISA-N 1 0 345.443 3.158 10 5 EGBERO C[N@H+](CCNC(=O)c1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480939843 1393035069 /nfs/dbraw/zinc/03/50/69/1393035069.db2.gz KGKGVDKQQJEEAO-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CC(C)c1occc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480954738 1393045534 /nfs/dbraw/zinc/04/55/34/1393045534.db2.gz KUWHIPRVFICHTP-UHFFFAOYSA-N 1 0 345.399 3.173 10 5 EGBERO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001485679325 1396101930 /nfs/dbraw/zinc/10/19/30/1396101930.db2.gz MMDDWDVPTSKEGK-KBYCCHEWSA-N 1 0 345.443 3.182 10 5 EGBERO CC(C)=CC(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001495502460 1396539786 /nfs/dbraw/zinc/53/97/86/1396539786.db2.gz VAVXLQXTTFEWFJ-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1=CCCCCC1 ZINC001499209500 1397056351 /nfs/dbraw/zinc/05/63/51/1397056351.db2.gz WCSDWORVIQXKHZ-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001699977734 1413421290 /nfs/dbraw/zinc/42/12/90/1413421290.db2.gz SLYSDSYYKBANCC-JOCQHMNTSA-N 1 0 339.461 3.079 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCC1 ZINC001700187828 1413611236 /nfs/dbraw/zinc/61/12/36/1413611236.db2.gz HYVDVRURHZNICU-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001713207302 1417777329 /nfs/dbraw/zinc/77/73/29/1417777329.db2.gz IOYNWMAULBGERB-BETUJISGSA-N 1 0 339.461 3.219 10 5 EGBERO C[N@H+](CCNC(=O)c1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001714568667 1419298009 /nfs/dbraw/zinc/29/80/09/1419298009.db2.gz UKSBEDLHESBBOT-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CC1(CNC(=O)CC2CC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716882301 1421006199 /nfs/dbraw/zinc/00/61/99/1421006199.db2.gz UTYCNSRVGHRFBP-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001717641583 1421546318 /nfs/dbraw/zinc/54/63/18/1421546318.db2.gz OCROYHKELFYSGV-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001717653155 1421552605 /nfs/dbraw/zinc/55/26/05/1421552605.db2.gz ZUEBIGGKNITJTP-KOMQPUFPSA-N 1 0 347.459 3.406 10 5 EGBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1ccccc1 ZINC001733712209 1429929009 /nfs/dbraw/zinc/92/90/09/1429929009.db2.gz QVVADTLOVDVJED-UHFFFAOYSA-N 1 0 345.424 3.099 10 5 EGBERO C/C=C(/C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001734088714 1437873550 /nfs/dbraw/zinc/87/35/50/1437873550.db2.gz UJUPPUCJXVKXJZ-CQPUUCJISA-N 1 0 345.443 3.470 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000181544877 529612475 /nfs/dbraw/zinc/61/24/75/529612475.db2.gz JNSSIQWJJYOYND-DLBZAZTESA-N 1 0 345.355 3.277 10 5 EGBERO Cc1cc([N+](=O)[O-])cc([C@H]([NH3+])c2cncc(Br)c2)c1C ZINC000040177389 213279014 /nfs/dbraw/zinc/27/90/14/213279014.db2.gz CSLJOALZUOSUOL-CQSZACIVSA-N 1 0 336.189 3.417 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CO)c(F)c1)CCC2 ZINC000192724736 239852563 /nfs/dbraw/zinc/85/25/63/239852563.db2.gz SEOROQUSODEQKQ-GOSISDBHSA-N 1 0 330.359 3.393 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132834538 223366633 /nfs/dbraw/zinc/36/66/33/223366633.db2.gz KWIONBWQNWCSNA-MSOLQXFVSA-N 1 0 333.432 3.083 10 5 EGBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357930878 141360294 /nfs/dbraw/zinc/36/02/94/141360294.db2.gz FZSDWDQLRQQKDM-ZIAGYGMSSA-N 1 0 336.436 3.075 10 5 EGBERO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC([NH+]2CCCCC2)C1 ZINC000366508809 141505255 /nfs/dbraw/zinc/50/52/55/141505255.db2.gz SWEXCYOQPWBSMV-UHFFFAOYSA-N 1 0 344.337 3.437 10 5 EGBERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185440023 144112370 /nfs/dbraw/zinc/11/23/70/144112370.db2.gz CFEZFCPIHYNFAS-GFCCVEGCSA-N 1 0 339.823 3.243 10 5 EGBERO COc1cccc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373216804 144497479 /nfs/dbraw/zinc/49/74/79/144497479.db2.gz BUXLZHBMNISWAH-ZDUSSCGKSA-N 1 0 330.388 3.198 10 5 EGBERO CSc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000194917590 153366244 /nfs/dbraw/zinc/36/62/44/153366244.db2.gz SEURSXXKZPPMMY-CYBMUJFWSA-N 1 0 339.461 3.023 10 5 EGBERO C[C@@H](CC[NH3+])Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000312941647 154152918 /nfs/dbraw/zinc/15/29/18/154152918.db2.gz GMSPACYAHAUPOS-QMMMGPOBSA-N 1 0 339.193 3.055 10 5 EGBERO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(-c3ccncc3)s2)c1 ZINC000340101831 155098838 /nfs/dbraw/zinc/09/88/38/155098838.db2.gz BNFGEEYNFOFWGA-UHFFFAOYSA-N 1 0 340.408 3.446 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114495379 162236600 /nfs/dbraw/zinc/23/66/00/162236600.db2.gz SGZMWECNXXKSQO-SFHVURJKSA-N 1 0 329.400 3.016 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364432966 287144912 /nfs/dbraw/zinc/14/49/12/287144912.db2.gz DUOKAMFFTIQTEP-DJJJIMSYSA-N 1 0 337.379 3.252 10 5 EGBERO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739883 166294030 /nfs/dbraw/zinc/29/40/30/166294030.db2.gz JMFDURFWGAKDOT-MCIONIFRSA-N 1 0 347.415 3.259 10 5 EGBERO C[NH+](C)C1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCCC1 ZINC000356120247 166406495 /nfs/dbraw/zinc/40/64/95/166406495.db2.gz JLWGIEPDBDPODK-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO CC[C@@H](NC(=O)N[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175788249 265137577 /nfs/dbraw/zinc/13/75/77/265137577.db2.gz ICPXZKDAVKDKSG-RHSMWYFYSA-N 1 0 348.447 3.220 10 5 EGBERO COc1cc(O)c2c(c1)C[C@@H]1c3c(cc(OC)c(O)c3-2)CC[N+]1(C)C ZINC000014725292 274097705 /nfs/dbraw/zinc/09/77/05/274097705.db2.gz VTQUMUPOLNPVHP-CQSZACIVSA-O 1 0 342.415 3.012 10 5 biogenic,in-vitro EGBERO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000153541447 275033598 /nfs/dbraw/zinc/03/35/98/275033598.db2.gz NNKBOHPRVSCHPK-UHFFFAOYSA-N 1 0 346.818 3.008 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000181355543 275206337 /nfs/dbraw/zinc/20/63/37/275206337.db2.gz FOPKLAFTAHKLCQ-CJNGLKHVSA-N 1 0 348.374 3.133 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000278738573 275270345 /nfs/dbraw/zinc/27/03/45/275270345.db2.gz SLVHZQHIOIUAGU-ZDUSSCGKSA-N 1 0 339.823 3.159 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286636948 276026098 /nfs/dbraw/zinc/02/60/98/276026098.db2.gz SUTHWJBYISJRCY-SCDSUCTJSA-N 1 0 332.322 3.149 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C4CC4)C3)o2)cc1 ZINC000288576408 276229773 /nfs/dbraw/zinc/22/97/73/276229773.db2.gz BAFNHJRLUANPNS-CQSZACIVSA-N 1 0 328.372 3.267 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000289438164 276339207 /nfs/dbraw/zinc/33/92/07/276339207.db2.gz AIYZGOMWWWEJBR-OALUTQOASA-N 1 0 326.396 3.159 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000289438173 276339227 /nfs/dbraw/zinc/33/92/27/276339227.db2.gz AIYZGOMWWWEJBR-RTBURBONSA-N 1 0 326.396 3.159 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CCO)CCC3)cs2)c1 ZINC000136522963 307712290 /nfs/dbraw/zinc/71/22/90/307712290.db2.gz SXWWEAUTTAJAHB-UHFFFAOYSA-N 1 0 347.440 3.361 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414344567 309074057 /nfs/dbraw/zinc/07/40/57/309074057.db2.gz RPYWLMDWPZRJSW-FZCLSBEQSA-N 1 0 332.444 3.447 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000414562306 309089379 /nfs/dbraw/zinc/08/93/79/309089379.db2.gz ARRNTIMTKJBACK-HNNXBMFYSA-N 1 0 345.374 3.111 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)cs2)c1 ZINC000414574143 309090412 /nfs/dbraw/zinc/09/04/12/309090412.db2.gz MIMZJJKLRUOIRM-TZMCWYRMSA-N 1 0 347.440 3.359 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[C@H](CO)C3)cs2)c1 ZINC000414574138 309090447 /nfs/dbraw/zinc/09/04/47/309090447.db2.gz MIMZJJKLRUOIRM-GXTWGEPZSA-N 1 0 347.440 3.359 10 5 EGBERO COc1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1[N+](=O)[O-] ZINC000295123922 308294370 /nfs/dbraw/zinc/29/43/70/308294370.db2.gz NQQFKCUHTOYLEL-UHFFFAOYSA-N 1 0 334.416 3.121 10 5 EGBERO CCOC(=O)c1cc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000295920251 308374781 /nfs/dbraw/zinc/37/47/81/308374781.db2.gz GHQZYDJWDMRWOA-UHFFFAOYSA-N 1 0 347.415 3.200 10 5 EGBERO Cc1nn(C)c(C)c1CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302186532 308732513 /nfs/dbraw/zinc/73/25/13/308732513.db2.gz PQSMMJAFVOIVQK-UHFFFAOYSA-N 1 0 339.399 3.456 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000413461409 309033065 /nfs/dbraw/zinc/03/30/65/309033065.db2.gz VHMJPRWHZPEVJV-UHFFFAOYSA-N 1 0 334.445 3.236 10 5 EGBERO C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415700878 309141360 /nfs/dbraw/zinc/14/13/60/309141360.db2.gz NFXJFCOGDHCUBK-QWHCGFSZSA-N 1 0 348.447 3.341 10 5 EGBERO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415702782 309141424 /nfs/dbraw/zinc/14/14/24/309141424.db2.gz PUKSXZKFHHDMLW-RISCZKNCSA-N 1 0 334.420 3.093 10 5 EGBERO CC[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421378491 309321698 /nfs/dbraw/zinc/32/16/98/309321698.db2.gz IGBPFCJUEISZPM-RDJZCZTQSA-N 1 0 344.415 3.043 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421678833 309334286 /nfs/dbraw/zinc/33/42/86/309334286.db2.gz DSVPHRPEBRBCJY-UHFFFAOYSA-N 1 0 339.823 3.159 10 5 EGBERO COC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000452110799 310212855 /nfs/dbraw/zinc/21/28/55/310212855.db2.gz ZZNRXBBZSCJKKU-CQSZACIVSA-N 1 0 345.399 3.498 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000453307320 310270197 /nfs/dbraw/zinc/27/01/97/310270197.db2.gz KEBZVXVFURSDNK-CYBMUJFWSA-N 1 0 340.395 3.410 10 5 EGBERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000535720012 314062485 /nfs/dbraw/zinc/06/24/85/314062485.db2.gz OVZNLXBZWKLKIG-CZUORRHYSA-N 1 0 326.400 3.064 10 5 EGBERO CN(CCC[NH+](C)C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000537191477 314167504 /nfs/dbraw/zinc/16/75/04/314167504.db2.gz JWYVTRUIRLLIHT-UHFFFAOYSA-N 1 0 341.411 3.214 10 5 EGBERO Cc1ncc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1 ZINC000564146002 316117231 /nfs/dbraw/zinc/11/72/31/316117231.db2.gz AWURWGDTYXODEO-NSHDSACASA-N 1 0 339.399 3.376 10 5 EGBERO CC(C)c1noc(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000570647832 317087062 /nfs/dbraw/zinc/08/70/62/317087062.db2.gz JOBLQHOXDDFTLP-AWEZNQCLSA-N 1 0 330.388 3.311 10 5 EGBERO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580992663 325318158 /nfs/dbraw/zinc/31/81/58/325318158.db2.gz MTZYGUYZXYBKDB-KRWDZBQOSA-N 1 0 326.396 3.211 10 5 EGBERO C[N+]1(C)CCC[C@@H]1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000000000585 452490647 /nfs/dbraw/zinc/49/06/47/452490647.db2.gz KASKRXOORXMTTP-TZIWHRDSSA-N 1 0 346.491 3.237 10 5 in-man EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc(C[C@H]3CCCC[NH2+]3)c2)c1 ZINC000600795100 460608737 /nfs/dbraw/zinc/60/87/37/460608737.db2.gz WPTGHNPSZMHTPI-GOSISDBHSA-N 1 0 340.423 3.481 10 5 EGBERO C[NH+](C)CCN1C(=O)c2cccc3cc4ccc(F)cc4c(c32)C1=O ZINC000027554466 453818343 /nfs/dbraw/zinc/81/83/43/453818343.db2.gz UTRDZYGJHPDYQI-UHFFFAOYSA-N 1 0 336.366 3.290 10 5 EGBERO C[NH2+]CCN1C(=O)c2cccc3cc4ccc(Cl)cc4c(c32)C1=O ZINC000027555451 453818644 /nfs/dbraw/zinc/81/86/44/453818644.db2.gz XMASRRMNTPCUIG-UHFFFAOYSA-N 1 0 338.794 3.462 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000066562203 453852210 /nfs/dbraw/zinc/85/22/10/453852210.db2.gz AQLNKIGJJIIBSA-OAHLLOKOSA-N 1 0 345.443 3.380 10 5 EGBERO Cc1sc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055758387 454012730 /nfs/dbraw/zinc/01/27/30/454012730.db2.gz YRKLDQVGSMEKAH-TUAOUCFPSA-N 1 0 339.461 3.061 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000089732411 454185620 /nfs/dbraw/zinc/18/56/20/454185620.db2.gz ZGYLEIPBOJHYOR-LSDHHAIUSA-N 1 0 341.415 3.013 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000132066530 454309808 /nfs/dbraw/zinc/30/98/08/454309808.db2.gz XBCYPKBVUKDAFX-CABCVRRESA-N 1 0 334.416 3.173 10 5 EGBERO CC[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090522911 454315790 /nfs/dbraw/zinc/31/57/90/454315790.db2.gz WGEJSGJGIBVFFR-KRWDZBQOSA-N 1 0 348.447 3.077 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000132758435 454363236 /nfs/dbraw/zinc/36/32/36/454363236.db2.gz UCILRXWHBXSHHR-MSOLQXFVSA-N 1 0 347.365 3.408 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C[C@H](C)O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000093144614 454688141 /nfs/dbraw/zinc/68/81/41/454688141.db2.gz PDNBICAKGBUAOQ-ZDUSSCGKSA-N 1 0 348.399 3.455 10 5 EGBERO COc1cc2c(cc1OC)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000140168769 454817180 /nfs/dbraw/zinc/81/71/80/454817180.db2.gz ANMNHEIGJGZANS-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO COc1cc(N2CCc3c(nc(C(C)C)n3C)C2)c([N+](=O)[O-])cc1F ZINC000125842385 454850749 /nfs/dbraw/zinc/85/07/49/454850749.db2.gz WYRRECSLLIODPP-UHFFFAOYSA-N 1 0 348.378 3.162 10 5 EGBERO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185066446 455495171 /nfs/dbraw/zinc/49/51/71/455495171.db2.gz KBPCRMQJLFXBGW-LBPRGKRZSA-N 1 0 337.401 3.180 10 5 EGBERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179012793 454999661 /nfs/dbraw/zinc/99/96/61/454999661.db2.gz MSGHLICXYINZNH-SJORKVTESA-N 1 0 340.383 3.162 10 5 EGBERO Cc1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000128225430 455036945 /nfs/dbraw/zinc/03/69/45/455036945.db2.gz QQVWOARBMJRGFJ-UHFFFAOYSA-N 1 0 335.335 3.096 10 5 EGBERO CCCNC(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180187666 455146227 /nfs/dbraw/zinc/14/62/27/455146227.db2.gz KHZHWYSWCCXTEC-LJQANCHMSA-N 1 0 341.411 3.190 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000245553593 455329198 /nfs/dbraw/zinc/32/91/98/455329198.db2.gz QPAOXYYUEFDLDM-LEUOFYLZSA-N 1 0 332.444 3.447 10 5 EGBERO CC(C)Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000181404988 455330034 /nfs/dbraw/zinc/33/00/34/455330034.db2.gz SQVDYTNDIKLMHJ-HNNXBMFYSA-N 1 0 343.427 3.306 10 5 EGBERO CCc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174229484 455371913 /nfs/dbraw/zinc/37/19/13/455371913.db2.gz HYPMHTMSFHUWOH-UHFFFAOYSA-N 1 0 345.443 3.105 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CCC2 ZINC000192933814 455720478 /nfs/dbraw/zinc/72/04/78/455720478.db2.gz URPQDAKOIVQYQH-LPHOPBHVSA-N 1 0 326.396 3.338 10 5 EGBERO CCN(CCc1nccs1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285699401 455899527 /nfs/dbraw/zinc/89/95/27/455899527.db2.gz RMVCNRFRGVHTCD-UHFFFAOYSA-N 1 0 327.356 3.394 10 5 EGBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000261624739 455916498 /nfs/dbraw/zinc/91/64/98/455916498.db2.gz DSSXCUWJMWJNKV-GOSISDBHSA-N 1 0 341.411 3.058 10 5 EGBERO CCc1cc(N[C@H](C)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301357642 456097575 /nfs/dbraw/zinc/09/75/75/456097575.db2.gz NQUXBUMUCLULLW-VXGBXAGGSA-N 1 0 330.388 3.043 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280985919 456100536 /nfs/dbraw/zinc/10/05/36/456100536.db2.gz LLJAZCOPFUPPRX-RDTXWAMCSA-N 1 0 327.384 3.342 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnn(C)c1 ZINC000271025806 456101787 /nfs/dbraw/zinc/10/17/87/456101787.db2.gz BDNNLBPQRHQPJE-CQSZACIVSA-N 1 0 334.445 3.031 10 5 EGBERO COc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000301616554 456163923 /nfs/dbraw/zinc/16/39/23/456163923.db2.gz JUMZPUIWMKYMPN-LBPRGKRZSA-N 1 0 325.384 3.419 10 5 EGBERO COc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000302816870 456408232 /nfs/dbraw/zinc/40/82/32/456408232.db2.gz IPHJWINZFNZSLH-QAPCUYQASA-N 1 0 327.384 3.461 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000276386977 456464058 /nfs/dbraw/zinc/46/40/58/456464058.db2.gz HRUZTZYJSFXFFF-GOOCMWNKSA-N 1 0 346.431 3.348 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000299688981 456764581 /nfs/dbraw/zinc/76/45/81/456764581.db2.gz YQWPYTVCJFNFQD-QGZVFWFLSA-N 1 0 345.374 3.075 10 5 EGBERO CC1(C)C[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617216 456806526 /nfs/dbraw/zinc/80/65/26/456806526.db2.gz CNLWPPQZFFVMEB-GTNSWQLSSA-N 1 0 326.400 3.187 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CC=Cc1ccccc1[N+](=O)[O-] ZINC000348818353 456870489 /nfs/dbraw/zinc/87/04/89/456870489.db2.gz XXXUIVSTFIDDKT-ZDTYVGOBSA-N 1 0 325.368 3.376 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)o1 ZINC000349284920 456931512 /nfs/dbraw/zinc/93/15/12/456931512.db2.gz SLGJFHGYKCONEF-CQSZACIVSA-N 1 0 344.289 3.258 10 5 EGBERO CO[C@H](CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000345484750 456979982 /nfs/dbraw/zinc/97/99/82/456979982.db2.gz MRENQXCANACPGS-BXUZGUMPSA-N 1 0 334.338 3.473 10 5 EGBERO C[NH+](C)CC1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000342801751 457534067 /nfs/dbraw/zinc/53/40/67/457534067.db2.gz FWQRHKPBAINSIY-UHFFFAOYSA-N 1 0 335.433 3.132 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361075063 457566761 /nfs/dbraw/zinc/56/67/61/457566761.db2.gz RPXCGBINSBZKJP-HNNXBMFYSA-N 1 0 332.448 3.471 10 5 EGBERO CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000425474311 457568886 /nfs/dbraw/zinc/56/88/86/457568886.db2.gz INQXUBFFIARCSO-DOTOQJQBSA-N 1 0 345.443 3.174 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000361084785 457572130 /nfs/dbraw/zinc/57/21/30/457572130.db2.gz REJPJLLPKZCLFZ-LJQANCHMSA-N 1 0 341.411 3.082 10 5 EGBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000374423323 457624095 /nfs/dbraw/zinc/62/40/95/457624095.db2.gz MTUJRBUZIZLFLV-CYBMUJFWSA-N 1 0 332.429 3.152 10 5 EGBERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433152350 457765813 /nfs/dbraw/zinc/76/58/13/457765813.db2.gz LTNBVXULOHJREA-GOSISDBHSA-N 1 0 342.443 3.500 10 5 EGBERO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358163380 457828523 /nfs/dbraw/zinc/82/85/23/457828523.db2.gz MMLGZUZJUHLYAU-BBRMVZONSA-N 1 0 336.436 3.074 10 5 EGBERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])s1 ZINC000375235463 457842777 /nfs/dbraw/zinc/84/27/77/457842777.db2.gz YUVYZGIURQJNSZ-UHFFFAOYSA-N 1 0 329.381 3.387 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000444701841 457946534 /nfs/dbraw/zinc/94/65/34/457946534.db2.gz WWWCVODCRHIDAF-LLVKDONJSA-N 1 0 348.321 3.257 10 5 EGBERO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000446025115 458130054 /nfs/dbraw/zinc/13/00/54/458130054.db2.gz ADZVUKVSMIJUJL-GFCCVEGCSA-N 1 0 339.823 3.018 10 5 EGBERO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529901 458305422 /nfs/dbraw/zinc/30/54/22/458305422.db2.gz MULJPDUNCMGNFJ-TWMKSMIVSA-N 1 0 349.479 3.128 10 5 EGBERO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000429287792 458309279 /nfs/dbraw/zinc/30/92/79/458309279.db2.gz ATMYSAYYWVGMNA-QGZVFWFLSA-N 1 0 344.411 3.083 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423949785 458520371 /nfs/dbraw/zinc/52/03/71/458520371.db2.gz NDDOOVUHBUWYHK-UHFFFAOYSA-N 1 0 346.412 3.079 10 5 EGBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000441015750 458876761 /nfs/dbraw/zinc/87/67/61/458876761.db2.gz KZPVABCDEHLFTK-AUUYWEPGSA-N 1 0 326.396 3.461 10 5 EGBERO COC1CCC(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000519723150 458994038 /nfs/dbraw/zinc/99/40/38/458994038.db2.gz JFVZWJDJVZIBEZ-TUBUQKNSSA-N 1 0 349.431 3.107 10 5 EGBERO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2c2cccnc12 ZINC000567048119 459040077 /nfs/dbraw/zinc/04/00/77/459040077.db2.gz MSCPCLRXPHQTBF-INIZCTEOSA-N 1 0 341.361 3.115 10 5 EGBERO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509724 459068225 /nfs/dbraw/zinc/06/82/25/459068225.db2.gz LPZGYYARSTXKBG-XTDOFWJNSA-N 1 0 347.459 3.060 10 5 EGBERO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000594518197 459075598 /nfs/dbraw/zinc/07/55/98/459075598.db2.gz JDVAZHOSYSWBIO-KBUPBQIOSA-N 1 0 336.436 3.211 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602835 459159472 /nfs/dbraw/zinc/15/94/72/459159472.db2.gz YTNOSFPLSPQMIP-AWEZNQCLSA-N 1 0 327.384 3.378 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CC1(F)F ZINC000595068337 459234383 /nfs/dbraw/zinc/23/43/83/459234383.db2.gz KEQAMVAUHOEAFO-SMDDNHRTSA-N 1 0 346.399 3.479 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595084095 459240749 /nfs/dbraw/zinc/24/07/49/459240749.db2.gz FKNKVIXDSBOIPR-OWQGQXMQSA-N 1 0 328.416 3.390 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1CCC(O)CC1 ZINC000595090478 459241706 /nfs/dbraw/zinc/24/17/06/459241706.db2.gz CVKKJQVUZKDENJ-NRLXWARBSA-N 1 0 332.444 3.447 10 5 EGBERO Cc1cncc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000595091945 459241763 /nfs/dbraw/zinc/24/17/63/459241763.db2.gz VHGKHMVOZXWMSA-KRWDZBQOSA-N 1 0 326.400 3.248 10 5 EGBERO O=[N+]([O-])c1cc(CN2CCC([NH2+]Cc3ccccc3)CC2)cs1 ZINC000595511893 459330210 /nfs/dbraw/zinc/33/02/10/459330210.db2.gz UZQPLISGMYRNJF-UHFFFAOYSA-N 1 0 331.441 3.411 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549595 459343171 /nfs/dbraw/zinc/34/31/71/459343171.db2.gz UHSUIMXKXRVECR-HIFRSBDPSA-N 1 0 348.447 3.136 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591306218 459350906 /nfs/dbraw/zinc/35/09/06/459350906.db2.gz OYLMEUXOPPQIJS-LBPRGKRZSA-N 1 0 334.420 3.156 10 5 EGBERO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595643340 459381493 /nfs/dbraw/zinc/38/14/93/459381493.db2.gz XUABWGRRVSBAMH-LBPRGKRZSA-N 1 0 337.420 3.346 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000560648929 459384090 /nfs/dbraw/zinc/38/40/90/459384090.db2.gz SCXDPPAUIYUMPX-UHFFFAOYSA-N 1 0 349.406 3.142 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595709758 459408718 /nfs/dbraw/zinc/40/87/18/459408718.db2.gz ZUVLTXZDDVUFJH-SCLBCKFNSA-N 1 0 339.395 3.160 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC1CC1)CC1CC1 ZINC000595870986 459469109 /nfs/dbraw/zinc/46/91/09/459469109.db2.gz IRPSNSGFFVSZCS-UHFFFAOYSA-N 1 0 347.415 3.054 10 5 EGBERO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000596061536 459504903 /nfs/dbraw/zinc/50/49/03/459504903.db2.gz BCBVLUMCZYIRFF-UHFFFAOYSA-N 1 0 348.321 3.434 10 5 EGBERO COc1cc(N(C)CC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596106380 459523390 /nfs/dbraw/zinc/52/33/90/459523390.db2.gz AACBNZQJAXBZMU-UHFFFAOYSA-N 1 0 327.812 3.035 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592178364 459543263 /nfs/dbraw/zinc/54/32/63/459543263.db2.gz ZNTYBOGMZFVICX-QGZVFWFLSA-N 1 0 334.416 3.046 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(Nc3c(Cl)cncc3[N+](=O)[O-])cccc21 ZINC000596215273 459562975 /nfs/dbraw/zinc/56/29/75/459562975.db2.gz TZPDVWJGMRFZMD-ZDUSSCGKSA-N 1 0 348.790 3.194 10 5 EGBERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000498027096 459565729 /nfs/dbraw/zinc/56/57/29/459565729.db2.gz RXHBPGJRNQXHTN-MRXNPFEDSA-N 1 0 335.448 3.390 10 5 EGBERO Cc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376470 459584756 /nfs/dbraw/zinc/58/47/56/459584756.db2.gz RHZRTSRUATZQIF-MOPGFXCFSA-N 1 0 339.439 3.338 10 5 EGBERO Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592380357 459587121 /nfs/dbraw/zinc/58/71/21/459587121.db2.gz SNIMAOYPXHYTQW-OFQRWUPVSA-N 1 0 326.400 3.274 10 5 EGBERO Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000596315034 459593486 /nfs/dbraw/zinc/59/34/86/459593486.db2.gz BUEAVKZOLWMFML-UHFFFAOYSA-N 1 0 339.461 3.268 10 5 EGBERO NC(=O)CC1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000596550953 459673001 /nfs/dbraw/zinc/67/30/01/459673001.db2.gz JKCVCZVWLNQXHT-UHFFFAOYSA-N 1 0 342.399 3.381 10 5 EGBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+](C)C ZINC000543750135 459694221 /nfs/dbraw/zinc/69/42/21/459694221.db2.gz AMEWOLYQPOSGMF-UHFFFAOYSA-N 1 0 339.461 3.121 10 5 EGBERO COc1ccc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000593036569 459750013 /nfs/dbraw/zinc/75/00/13/459750013.db2.gz IHLPQQHDWIIDCI-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054802 459756951 /nfs/dbraw/zinc/75/69/51/459756951.db2.gz LKGMRGMFQFLOLA-UHFFFAOYSA-N 1 0 348.296 3.470 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596786866 459762520 /nfs/dbraw/zinc/76/25/20/459762520.db2.gz AVHAUJRBCLHBEY-ZDUSSCGKSA-N 1 0 334.420 3.206 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000545920009 459871930 /nfs/dbraw/zinc/87/19/30/459871930.db2.gz AYIGOUHQNIFVIW-HRCADAONSA-N 1 0 334.416 3.159 10 5 EGBERO COCC1([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000597255185 459897153 /nfs/dbraw/zinc/89/71/53/459897153.db2.gz SKVLZVICQYXNSJ-CQSZACIVSA-N 1 0 349.431 3.251 10 5 EGBERO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000609704373 460009934 /nfs/dbraw/zinc/00/99/34/460009934.db2.gz PUUOLLPKVKNGTO-AWEZNQCLSA-N 1 0 326.400 3.049 10 5 EGBERO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCCO1 ZINC000594041179 460069051 /nfs/dbraw/zinc/06/90/51/460069051.db2.gz DVCRVNDZHDCQTC-CABCVRRESA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCCO1 ZINC000594040588 460069147 /nfs/dbraw/zinc/06/91/47/460069147.db2.gz HCADAKPZTLAKSE-LSDHHAIUSA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCCO1 ZINC000594041510 460069384 /nfs/dbraw/zinc/06/93/84/460069384.db2.gz DVCRVNDZHDCQTC-LSDHHAIUSA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCCO1 ZINC000594041508 460069610 /nfs/dbraw/zinc/06/96/10/460069610.db2.gz DVCRVNDZHDCQTC-GJZGRUSLSA-N 1 0 346.387 3.082 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000576327967 460117375 /nfs/dbraw/zinc/11/73/75/460117375.db2.gz GXTKEYJVURYAEA-HNNXBMFYSA-N 1 0 342.374 3.080 10 5 EGBERO CC(C)c1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599009294 460125594 /nfs/dbraw/zinc/12/55/94/460125594.db2.gz ZGDFRURHWJUBCR-UHFFFAOYSA-N 1 0 347.459 3.456 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000599041150 460136519 /nfs/dbraw/zinc/13/65/19/460136519.db2.gz BBRUEGLKQHRJPR-OAHLLOKOSA-N 1 0 326.400 3.208 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N(CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602804048 460137179 /nfs/dbraw/zinc/13/71/79/460137179.db2.gz HJFHBIXMWAPMII-ZDUSSCGKSA-N 1 0 347.337 3.046 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599058187 460143126 /nfs/dbraw/zinc/14/31/26/460143126.db2.gz SBARLRBGHKXSQL-APIJFGDWSA-N 1 0 331.416 3.338 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000599058819 460145071 /nfs/dbraw/zinc/14/50/71/460145071.db2.gz VRUVAGDYWLHDFP-NYCLONFESA-N 1 0 340.427 3.444 10 5 EGBERO C[C@](CO)([NH2+]C[C@@H]1CCCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962824 460204161 /nfs/dbraw/zinc/20/41/61/460204161.db2.gz PLRBGCIYBVOIAY-DZGCQCFKSA-N 1 0 328.359 3.217 10 5 EGBERO O=[N+]([O-])c1ncccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000619501101 460370532 /nfs/dbraw/zinc/37/05/32/460370532.db2.gz UCMDLAFZRNFDBY-UHFFFAOYSA-N 1 0 344.337 3.207 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601971702 460966609 /nfs/dbraw/zinc/96/66/09/460966609.db2.gz DWFWRQGDJIVOFA-CQSZACIVSA-N 1 0 333.432 3.028 10 5 EGBERO Cc1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000174476426 533904909 /nfs/dbraw/zinc/90/49/09/533904909.db2.gz ZZLTZGOBKLPLQU-AGUYFDCRSA-N 1 0 332.404 3.040 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025062 1296670354 /nfs/dbraw/zinc/67/03/54/1296670354.db2.gz HBJOVQUWTZIADD-MNOVXSKESA-N 1 0 349.328 3.269 10 5 EGBERO O=[N+]([O-])c1cccc(Br)c1OC[C@H]1CCCC[NH2+]C1 ZINC000697089905 1298163762 /nfs/dbraw/zinc/16/37/62/1298163762.db2.gz YZYIEOTVNQRVMO-JTQLQIEISA-N 1 0 329.194 3.126 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000882000507 1301779530 /nfs/dbraw/zinc/77/95/30/1301779530.db2.gz AGODOLAJZHDAFT-OAHLLOKOSA-N 1 0 331.416 3.252 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC000886331075 1303436473 /nfs/dbraw/zinc/43/64/73/1303436473.db2.gz ANLQIGMSKXZPEG-DJSGYFEHSA-N 1 0 340.807 3.064 10 5 EGBERO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]c1C(C)C ZINC000894386203 1306371028 /nfs/dbraw/zinc/37/10/28/1306371028.db2.gz VFYXJGIURUTXTA-UHFFFAOYSA-N 1 0 331.372 3.123 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC2)cn1 ZINC000895631527 1309435253 /nfs/dbraw/zinc/43/52/53/1309435253.db2.gz WUGZPECCCXYXAR-RRQGHBQHSA-N 1 0 330.432 3.127 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836915 1309547500 /nfs/dbraw/zinc/54/75/00/1309547500.db2.gz QADNJTKNRPCHBG-BLMSOEDDSA-N 1 0 344.333 3.245 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836917 1309547860 /nfs/dbraw/zinc/54/78/60/1309547860.db2.gz QADNJTKNRPCHBG-WASHYIJTSA-N 1 0 344.333 3.245 10 5 EGBERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000930207866 1328811989 /nfs/dbraw/zinc/81/19/89/1328811989.db2.gz HBXCYCXXMWSYOU-GZMMTYOYSA-N 1 0 342.264 3.194 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000859561992 1329017831 /nfs/dbraw/zinc/01/78/31/1329017831.db2.gz OZZHIXXZTPYZBT-YPMHNXCESA-N 1 0 339.823 3.051 10 5 EGBERO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000925154526 1325067556 /nfs/dbraw/zinc/06/75/56/1325067556.db2.gz QMOCZTLLGJUJBM-WMZOPIPTSA-N 1 0 342.443 3.180 10 5 EGBERO C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926906050 1327768524 /nfs/dbraw/zinc/76/85/24/1327768524.db2.gz SFPZQEUOHGAMCZ-CHIMOYNISA-N 1 0 347.337 3.328 10 5 EGBERO C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926961204 1327798701 /nfs/dbraw/zinc/79/87/01/1327798701.db2.gz XGEGNRVXYJUORE-JOYOIKCWSA-N 1 0 337.317 3.267 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000926964767 1327801481 /nfs/dbraw/zinc/80/14/81/1327801481.db2.gz SVQTZHHNFZTSPT-RISCZKNCSA-N 1 0 333.354 3.436 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000862466518 1329488730 /nfs/dbraw/zinc/48/87/30/1329488730.db2.gz ZTTBKEPHQVJEAA-AWEZNQCLSA-N 1 0 342.351 3.206 10 5 EGBERO NC(=O)C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000862534426 1329493664 /nfs/dbraw/zinc/49/36/64/1329493664.db2.gz BHIXMTGMZHRMBG-KRWDZBQOSA-N 1 0 334.419 3.069 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3c(cnn3C)c2)cc1[N+](=O)[O-] ZINC000865485971 1329704212 /nfs/dbraw/zinc/70/42/12/1329704212.db2.gz XBQMPFMSLTYUBH-GFCCVEGCSA-N 1 0 325.372 3.036 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)o1 ZINC000865691647 1329729703 /nfs/dbraw/zinc/72/97/03/1329729703.db2.gz CXQYZMCIHQZRCU-AWLAPNQGSA-N 1 0 340.379 3.368 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000866022404 1329759667 /nfs/dbraw/zinc/75/96/67/1329759667.db2.gz XOTOQGVFCQSZCT-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCC(C)([NH+](C)C)CC1 ZINC000866147378 1330070489 /nfs/dbraw/zinc/07/04/89/1330070489.db2.gz PCVVUGHNUIIRCY-UHFFFAOYSA-N 1 0 349.357 3.022 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866209724 1330079083 /nfs/dbraw/zinc/07/90/83/1330079083.db2.gz VLPHAIOLZQKIFE-GWCFXTLKSA-N 1 0 329.322 3.144 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1SCCS1 ZINC000866391243 1330105616 /nfs/dbraw/zinc/10/56/16/1330105616.db2.gz CUZFZGZZBIHFBQ-SNVBAGLBSA-N 1 0 330.450 3.451 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000866513766 1330120116 /nfs/dbraw/zinc/12/01/16/1330120116.db2.gz ZDMMMUAMMUNSJJ-DWQUBVKVSA-N 1 0 336.407 3.460 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866530345 1330122419 /nfs/dbraw/zinc/12/24/19/1330122419.db2.gz KHPWEINKAFIAPC-KGLIPLIRSA-N 1 0 334.416 3.461 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC23CCOCC3)n1 ZINC000866532248 1330122723 /nfs/dbraw/zinc/12/27/23/1330122723.db2.gz VOPQLXGQVKHGPZ-BZUAXINKSA-N 1 0 348.447 3.071 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866534308 1330123171 /nfs/dbraw/zinc/12/31/71/1330123171.db2.gz RBAWDYQNDNPYTO-GDBMZVCRSA-N 1 0 334.416 3.140 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001184840369 1387548180 /nfs/dbraw/zinc/54/81/80/1387548180.db2.gz ZHJIRBREEMKNHL-CQSZACIVSA-N 1 0 343.431 3.315 10 5 EGBERO O=[N+]([O-])c1cnccc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001184972944 1387577453 /nfs/dbraw/zinc/57/74/53/1387577453.db2.gz MARLUGOXYAMLGU-UHFFFAOYSA-N 1 0 326.400 3.184 10 5 EGBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001197404265 1368807387 /nfs/dbraw/zinc/80/73/87/1368807387.db2.gz RFIGTIWVWZEUER-LRDDRELGSA-N 1 0 338.791 3.023 10 5 EGBERO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001148757257 1379262225 /nfs/dbraw/zinc/26/22/25/1379262225.db2.gz FUTXHNSCAOYIHO-AWEZNQCLSA-N 1 0 333.432 3.106 10 5 EGBERO CC(C)[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001163942110 1383137989 /nfs/dbraw/zinc/13/79/89/1383137989.db2.gz LRBFVJZJLRONEG-CYBMUJFWSA-N 1 0 342.237 3.134 10 5 EGBERO CCOC(=O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001167760204 1383734130 /nfs/dbraw/zinc/73/41/30/1383734130.db2.gz RKASEGMELFTHTB-UHFFFAOYSA-N 1 0 338.404 3.027 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccc(Cl)cc3)C2)nc1 ZINC001167778451 1383738230 /nfs/dbraw/zinc/73/82/30/1383738230.db2.gz GTHXZZIJKIBEIV-HNNXBMFYSA-N 1 0 346.818 3.372 10 5 EGBERO CCc1ccc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779522 1383738246 /nfs/dbraw/zinc/73/82/46/1383738246.db2.gz UAYFANXCPGKICD-KRWDZBQOSA-N 1 0 340.427 3.281 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC)C2)cc1C ZINC001306949667 1383925070 /nfs/dbraw/zinc/92/50/70/1383925070.db2.gz WUIQDRSCJJWTKG-CQSZACIVSA-N 1 0 349.431 3.224 10 5 EGBERO CCC[N@H+](CC)CCNc1cc(C)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC001306985909 1383930049 /nfs/dbraw/zinc/93/00/49/1383930049.db2.gz ALLFGFTYQHLNBC-UHFFFAOYSA-N 1 0 337.420 3.224 10 5 EGBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001307141276 1383944454 /nfs/dbraw/zinc/94/44/54/1383944454.db2.gz UROVAJPDLAHCCY-SOFGYWHQSA-N 1 0 347.415 3.067 10 5 EGBERO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001307428276 1383987962 /nfs/dbraw/zinc/98/79/62/1383987962.db2.gz DZRSNVYGQCIMKK-QGZVFWFLSA-N 1 0 328.416 3.098 10 5 EGBERO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547603 1384000440 /nfs/dbraw/zinc/00/04/40/1384000440.db2.gz DYTFCQPKGDLGHO-RHSMWYFYSA-N 1 0 345.443 3.385 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](CC3([C@H]4CCCCO4)CCC3)CC2)n1 ZINC001307736253 1384022372 /nfs/dbraw/zinc/02/23/72/1384022372.db2.gz FNFGPHCIKNYBOB-MRXNPFEDSA-N 1 0 348.447 3.168 10 5 EGBERO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC001170117291 1384238689 /nfs/dbraw/zinc/23/86/89/1384238689.db2.gz JYHWGAHHANYCQM-OALUTQOASA-N 1 0 328.412 3.485 10 5 EGBERO CCC(CC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001316615534 1384483122 /nfs/dbraw/zinc/48/31/22/1384483122.db2.gz YRWUUGWWZWYFEK-FZNQNYSPSA-N 1 0 333.432 3.015 10 5 EGBERO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400824 1386104590 /nfs/dbraw/zinc/10/45/90/1386104590.db2.gz UYLRGHFJYUUFKK-AUUYWEPGSA-N 1 0 344.411 3.200 10 5 EGBERO CC[NH+](CC)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC001319793766 1386300020 /nfs/dbraw/zinc/30/00/20/1386300020.db2.gz KBDHDUHVVMHCLX-UHFFFAOYSA-N 1 0 349.431 3.000 10 5 EGBERO COc1ccc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC001329173886 1389004370 /nfs/dbraw/zinc/00/43/70/1389004370.db2.gz BPVPURQXJZNOGT-CQSZACIVSA-N 1 0 329.400 3.152 10 5 EGBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1 ZINC001332688888 1390152968 /nfs/dbraw/zinc/15/29/68/1390152968.db2.gz NYMBMCZEDGZCQH-UHFFFAOYSA-N 1 0 345.399 3.170 10 5 EGBERO O=[N+]([O-])c1ccc(Br)c(CN2CCC23CCOCC3)c1 ZINC001333483109 1390316154 /nfs/dbraw/zinc/31/61/54/1390316154.db2.gz JWLNYTPJTAQZPI-UHFFFAOYSA-N 1 0 341.205 3.112 10 5 EGBERO CC1(C)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347598551 1391097916 /nfs/dbraw/zinc/09/79/16/1391097916.db2.gz WTDFAJFDVOMUMZ-HZPDHXFCSA-N 1 0 345.443 3.077 10 5 EGBERO C[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC001352034598 1391748556 /nfs/dbraw/zinc/74/85/56/1391748556.db2.gz HQFYLHFFNRXGKV-OAHLLOKOSA-N 1 0 345.443 3.033 10 5 EGBERO CC[N@H+](CCCNC(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001479853460 1392433571 /nfs/dbraw/zinc/43/35/71/1392433571.db2.gz PJMYJVPIERIKIZ-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC[N@H+](CCNC(=O)C1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480991766 1393072830 /nfs/dbraw/zinc/07/28/30/1393072830.db2.gz KYWDTUMIWSVZFF-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CCCC1 ZINC001481202997 1393149168 /nfs/dbraw/zinc/14/91/68/1393149168.db2.gz GLZGZKPUNPNERK-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC1(CC(=O)NC2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001483968742 1395168063 /nfs/dbraw/zinc/16/80/63/1395168063.db2.gz OIJGIECOGPXHDF-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001691497941 1405304030 /nfs/dbraw/zinc/30/40/30/1405304030.db2.gz KBQPGOALUDYODV-JCNLHEQBSA-N 1 0 343.427 3.080 10 5 EGBERO CCC(=CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)CC ZINC001691698272 1405430299 /nfs/dbraw/zinc/43/02/99/1405430299.db2.gz PLJQAXRCHQIIEM-CALCHBBNSA-N 1 0 345.443 3.326 10 5 EGBERO C[N@H+](CCCNC(=O)CC1CC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001707400567 1417314468 /nfs/dbraw/zinc/31/44/68/1417314468.db2.gz QQICPGTZLPBWJL-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001712942321 1417503145 /nfs/dbraw/zinc/50/31/45/1417503145.db2.gz WTXWKJVAMCGYFF-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001712949413 1417508030 /nfs/dbraw/zinc/50/80/30/1417508030.db2.gz RXKRIKYMFGPPEG-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1C(C)(C)C1(C)C ZINC001716534851 1420753843 /nfs/dbraw/zinc/75/38/43/1420753843.db2.gz RTHNQOWAHVXVFV-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO CCC1(C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001717457670 1421387026 /nfs/dbraw/zinc/38/70/26/1421387026.db2.gz PCEYPKHSZNAEKO-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001733565125 1429766035 /nfs/dbraw/zinc/76/60/35/1429766035.db2.gz QGLOHINLJWZOOI-SHTZXODSSA-N 1 0 333.432 3.017 10 5 EGBERO Cc1cc([C@@H]([NH3+])c2cncc(Br)c2)cc([N+](=O)[O-])c1C ZINC000040177392 213279834 /nfs/dbraw/zinc/27/98/34/213279834.db2.gz UQDSOMRCQXTPPU-CQSZACIVSA-N 1 0 336.189 3.417 10 5 EGBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187916949 236338972 /nfs/dbraw/zinc/33/89/72/236338972.db2.gz REEIZEKJCPSAGZ-SCLBCKFNSA-N 1 0 345.399 3.233 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000374752250 168782250 /nfs/dbraw/zinc/78/22/50/168782250.db2.gz PKSYCQXKEQQCIV-YXJHDRRASA-N 1 0 348.443 3.122 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246126884 243198060 /nfs/dbraw/zinc/19/80/60/243198060.db2.gz ZDAAGFIGMSBXJZ-ZFWWWQNUSA-N 1 0 348.447 3.406 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377602872 169047107 /nfs/dbraw/zinc/04/71/07/169047107.db2.gz FCCUGEMRDFQAEL-AWEZNQCLSA-N 1 0 347.415 3.054 10 5 EGBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000408401256 169174852 /nfs/dbraw/zinc/17/48/52/169174852.db2.gz BURVMVGLGQYTSC-MBNYWOFBSA-N 1 0 338.839 3.485 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000091737358 218055536 /nfs/dbraw/zinc/05/55/36/218055536.db2.gz MAIWKBHHARITLU-HIFRSBDPSA-N 1 0 333.432 3.075 10 5 EGBERO C[C@@H]1CO[C@H](c2ccccc2)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153935469 224178874 /nfs/dbraw/zinc/17/88/74/224178874.db2.gz DOJAURZXCOCOKH-CCKFTAQKSA-N 1 0 342.395 3.090 10 5 EGBERO C[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000346189860 141176104 /nfs/dbraw/zinc/17/61/04/141176104.db2.gz ZXPQCVHHZVOSQY-UHFFFAOYSA-N 1 0 328.397 3.474 10 5 EGBERO Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)[nH]c1C ZINC000363861264 144372151 /nfs/dbraw/zinc/37/21/51/144372151.db2.gz QHFZNSZVFTUENJ-UHFFFAOYSA-N 1 0 337.339 3.249 10 5 EGBERO Cc1ccnc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000363874083 144372936 /nfs/dbraw/zinc/37/29/36/144372936.db2.gz GXLVCMAMUBIWFO-UHFFFAOYSA-N 1 0 326.400 3.381 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365431525 157122771 /nfs/dbraw/zinc/12/27/71/157122771.db2.gz QFHSFEUILKCBTB-UHFFFAOYSA-N 1 0 345.443 3.267 10 5 EGBERO Cc1sc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000357879164 166801009 /nfs/dbraw/zinc/80/10/09/166801009.db2.gz JZNSKFICRFKJCE-BZNIZROVSA-N 1 0 339.461 3.205 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000359090735 167063481 /nfs/dbraw/zinc/06/34/81/167063481.db2.gz DWHIUFHXVWRLGW-UHFFFAOYSA-N 1 0 332.379 3.290 10 5 EGBERO Cc1c(NC(=O)CC[NH+]2C[C@H]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177523515 265259780 /nfs/dbraw/zinc/25/97/80/265259780.db2.gz UYKZWUAGPUQMLU-HUUCEWRRSA-N 1 0 331.416 3.354 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177550164 265263069 /nfs/dbraw/zinc/26/30/69/265263069.db2.gz NLVQTVUYUDIPCP-GJZGRUSLSA-N 1 0 331.416 3.354 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083550669 274374594 /nfs/dbraw/zinc/37/45/94/274374594.db2.gz YVYNKRPZQSRGKN-ZYHUDNBSSA-N 1 0 340.221 3.030 10 5 EGBERO CC(=O)NC1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279096250 275303450 /nfs/dbraw/zinc/30/34/50/275303450.db2.gz NXEUSAGDWNOITH-JRSKDTKFSA-N 1 0 345.443 3.354 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cccc1[N+](=O)[O-] ZINC000283470337 275726201 /nfs/dbraw/zinc/72/62/01/275726201.db2.gz WDSBMDWPHALBRX-HDMKZQKVSA-N 1 0 348.443 3.122 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000129026416 307608708 /nfs/dbraw/zinc/60/87/08/307608708.db2.gz IPFGKPSIFPFOAE-YOEHRIQHSA-N 1 0 339.395 3.359 10 5 EGBERO Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000414581012 309090646 /nfs/dbraw/zinc/09/06/46/309090646.db2.gz KASAYOXPAHALIY-INIZCTEOSA-N 1 0 329.375 3.411 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](CO)C3)o2)c1 ZINC000414585480 309090781 /nfs/dbraw/zinc/09/07/81/309090781.db2.gz UBOZXYSMYCZDKL-ZFWWWQNUSA-N 1 0 330.384 3.496 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)c1 ZINC000301344271 308697139 /nfs/dbraw/zinc/69/71/39/308697139.db2.gz JVTFPXQUTOPNLU-UHFFFAOYSA-N 1 0 325.384 3.275 10 5 EGBERO COc1cc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301986396 308724179 /nfs/dbraw/zinc/72/41/79/308724179.db2.gz MFUZPLQRYRQIQF-GFCCVEGCSA-N 1 0 325.384 3.276 10 5 EGBERO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929097 309109883 /nfs/dbraw/zinc/10/98/83/309109883.db2.gz NOLJJKLZOYNYKW-BLLLJJGKSA-N 1 0 331.441 3.411 10 5 EGBERO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000415687216 309141097 /nfs/dbraw/zinc/14/10/97/309141097.db2.gz BCKQPMIXLDHLGJ-HNNXBMFYSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415690769 309141194 /nfs/dbraw/zinc/14/11/94/309141194.db2.gz LOAYENQJAHBUSE-SMDDNHRTSA-N 1 0 334.420 3.012 10 5 EGBERO C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415700876 309141375 /nfs/dbraw/zinc/14/13/75/309141375.db2.gz NFXJFCOGDHCUBK-OLZOCXBDSA-N 1 0 348.447 3.341 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000415703191 309141390 /nfs/dbraw/zinc/14/13/90/309141390.db2.gz QFJPVLLODJEIAK-UHFFFAOYSA-N 1 0 334.420 3.108 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415705295 309141519 /nfs/dbraw/zinc/14/15/19/309141519.db2.gz TTWSGRIPDBZMPG-GFCCVEGCSA-N 1 0 334.420 3.013 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1cccnc1)CCCC2 ZINC000417350343 309202646 /nfs/dbraw/zinc/20/26/46/309202646.db2.gz PKNNMMVQWDGKAC-VQIMIIECSA-N 1 0 341.411 3.123 10 5 EGBERO Cc1nc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432921387 309673165 /nfs/dbraw/zinc/67/31/65/309673165.db2.gz BJQKVHSEOOPHBX-HNNXBMFYSA-N 1 0 328.372 3.427 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000449185951 310042952 /nfs/dbraw/zinc/04/29/52/310042952.db2.gz BMFDLZINZOFBMS-DZGCQCFKSA-N 1 0 334.807 3.371 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429294 310061401 /nfs/dbraw/zinc/06/14/01/310061401.db2.gz ASWXASQMDLAHAF-JFIYKMOQSA-N 1 0 348.443 3.080 10 5 EGBERO CCn1nccc1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543476 310184479 /nfs/dbraw/zinc/18/44/79/310184479.db2.gz BXVLDVDRVZZPJP-MRXNPFEDSA-N 1 0 328.416 3.233 10 5 EGBERO C[NH+]1CCC(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000456128888 310389816 /nfs/dbraw/zinc/38/98/16/310389816.db2.gz AFFKJQVPABHLLG-KRWDZBQOSA-N 1 0 345.443 3.033 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458200663 310491066 /nfs/dbraw/zinc/49/10/66/310491066.db2.gz LJVZDZYVEMETJH-UHFFFAOYSA-N 1 0 347.440 3.169 10 5 EGBERO COc1cccc(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000468748152 310693121 /nfs/dbraw/zinc/69/31/21/310693121.db2.gz NIWOGNCTJHWAQY-SDNWHVSQSA-N 1 0 327.384 3.234 10 5 EGBERO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)s1)CC(C)C ZINC000498458724 311885706 /nfs/dbraw/zinc/88/57/06/311885706.db2.gz XMOKZISHNWRIMN-CYBMUJFWSA-N 1 0 341.477 3.451 10 5 EGBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000508644935 312098932 /nfs/dbraw/zinc/09/89/32/312098932.db2.gz ZWCAZCQUSIGSKH-ZDUSSCGKSA-N 1 0 346.408 3.318 10 5 EGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513400720 312209148 /nfs/dbraw/zinc/20/91/48/312209148.db2.gz FRSUUFYLZAUUTH-UHFFFAOYSA-N 1 0 343.402 3.489 10 5 EGBERO O=C(CC[NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000521994579 312569352 /nfs/dbraw/zinc/56/93/52/312569352.db2.gz FLVJBOQMURABJE-GDBMZVCRSA-N 1 0 343.358 3.208 10 5 EGBERO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000536754120 314143632 /nfs/dbraw/zinc/14/36/32/314143632.db2.gz JOBPPWBMOKBCQJ-VQIMIIECSA-N 1 0 342.395 3.471 10 5 EGBERO COC1CCC(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000543051247 314601558 /nfs/dbraw/zinc/60/15/58/314601558.db2.gz QVFWISGAXJUEGY-UHFFFAOYSA-N 1 0 329.400 3.490 10 5 EGBERO Cc1c(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000550682017 315132167 /nfs/dbraw/zinc/13/21/67/315132167.db2.gz GXDHYYOHKHAQLQ-HKUYNNGSSA-N 1 0 325.412 3.438 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000550829436 315135200 /nfs/dbraw/zinc/13/52/00/315135200.db2.gz HKQIXMFOVXMEAQ-QROZZAMVSA-N 1 0 331.416 3.480 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(F)(F)F)CC1 ZINC000552338750 315214411 /nfs/dbraw/zinc/21/44/11/315214411.db2.gz OULJNXJWCDXICY-SNVBAGLBSA-N 1 0 345.321 3.244 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351083933 324165810 /nfs/dbraw/zinc/16/58/10/324165810.db2.gz VXJUDOUBPBKPTP-UHFFFAOYSA-N 1 0 325.259 3.099 10 5 EGBERO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382459188 324250866 /nfs/dbraw/zinc/25/08/66/324250866.db2.gz TTYDSEAHZIVNPX-VHSXEESVSA-N 1 0 328.210 3.205 10 5 EGBERO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183292750 455271661 /nfs/dbraw/zinc/27/16/61/455271661.db2.gz IGJWUKAYHBXGKA-UHFFFAOYSA-N 1 0 347.459 3.374 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000245539936 455325724 /nfs/dbraw/zinc/32/57/24/455325724.db2.gz JXRONKYWEXKHPE-BPUTZDHNSA-N 1 0 341.415 3.022 10 5 EGBERO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000011036581 453310149 /nfs/dbraw/zinc/31/01/49/453310149.db2.gz OQDZIJQNVYRXEZ-UHFFFAOYSA-N 1 0 341.411 3.468 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000066810950 453875767 /nfs/dbraw/zinc/87/57/67/453875767.db2.gz HDIBNBCANQHZIE-MRXNPFEDSA-N 1 0 326.400 3.314 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000066811364 453876609 /nfs/dbraw/zinc/87/66/09/453876609.db2.gz AFYXGGPACIAKRE-ZDUSSCGKSA-N 1 0 332.429 3.375 10 5 EGBERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181814912 455385504 /nfs/dbraw/zinc/38/55/04/455385504.db2.gz JZNQTGQZLBCUDK-ZDUSSCGKSA-N 1 0 343.383 3.201 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000181818159 455386300 /nfs/dbraw/zinc/38/63/00/455386300.db2.gz RIBJSUVTOMIFFJ-LBPRGKRZSA-N 1 0 331.347 3.332 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)C1CCOCC1 ZINC000077323887 454092321 /nfs/dbraw/zinc/09/23/21/454092321.db2.gz WBBQBSHOONTAFW-UHFFFAOYSA-N 1 0 349.431 3.121 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000132112323 454314589 /nfs/dbraw/zinc/31/45/89/454314589.db2.gz SCMFVRQCUFXPEV-GFCCVEGCSA-N 1 0 332.356 3.084 10 5 EGBERO CC[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685905 454335425 /nfs/dbraw/zinc/33/54/25/454335425.db2.gz PKSMBBXEROPEON-KRWDZBQOSA-N 1 0 348.447 3.029 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000092657747 454602574 /nfs/dbraw/zinc/60/25/74/454602574.db2.gz RZHMZLNJUHPVQB-ZDUSSCGKSA-N 1 0 337.395 3.055 10 5 EGBERO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074805601 454637850 /nfs/dbraw/zinc/63/78/50/454637850.db2.gz FRSPJPUBNHYBPH-UHFFFAOYSA-N 1 0 340.383 3.153 10 5 EGBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000052168621 454658336 /nfs/dbraw/zinc/65/83/36/454658336.db2.gz DECVBYWGSVLQQK-INIZCTEOSA-N 1 0 347.802 3.281 10 5 EGBERO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769274 454734537 /nfs/dbraw/zinc/73/45/37/454734537.db2.gz QTGQNMBJHLOBDN-UHFFFAOYSA-N 1 0 347.459 3.388 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000153968269 454852944 /nfs/dbraw/zinc/85/29/44/454852944.db2.gz UQMKQBKJKUTXIG-WMLDXEAASA-N 1 0 348.447 3.075 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163594039 454857784 /nfs/dbraw/zinc/85/77/84/454857784.db2.gz CBFLJJZJGHYEES-HNNXBMFYSA-N 1 0 333.432 3.001 10 5 EGBERO Cc1c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000150925025 454913252 /nfs/dbraw/zinc/91/32/52/454913252.db2.gz OXQCCVRLEHNGLS-AWEZNQCLSA-N 1 0 333.432 3.201 10 5 EGBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178678205 454966975 /nfs/dbraw/zinc/96/69/75/454966975.db2.gz BMIUOOIVNVVYFV-CXAGYDPISA-N 1 0 333.432 3.473 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180148592 455139992 /nfs/dbraw/zinc/13/99/92/455139992.db2.gz XZIWBBREKSNVTC-QZTJIDSGSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1cnc(CC[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000157398841 455190259 /nfs/dbraw/zinc/19/02/59/455190259.db2.gz AOEACZSLYLKSFL-UHFFFAOYSA-N 1 0 335.429 3.303 10 5 EGBERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157583149 455210226 /nfs/dbraw/zinc/21/02/26/455210226.db2.gz IQCLMOMSIULNQP-YVEFUNNKSA-N 1 0 346.431 3.239 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181537343 455350860 /nfs/dbraw/zinc/35/08/60/455350860.db2.gz VFNZQRKLTGNHDM-GOSISDBHSA-N 1 0 341.411 3.260 10 5 EGBERO CN1CCC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245983069 455410395 /nfs/dbraw/zinc/41/03/95/455410395.db2.gz PQVPGGIALCLWPA-RBUKOAKNSA-N 1 0 325.412 3.368 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000185361957 455548744 /nfs/dbraw/zinc/54/87/44/455548744.db2.gz SZTKWSWEYZVQIR-BUHFOSPRSA-N 1 0 345.443 3.377 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)CCC2 ZINC000192724748 455678070 /nfs/dbraw/zinc/67/80/70/455678070.db2.gz SEOROQUSODEQKQ-SFHVURJKSA-N 1 0 330.359 3.393 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249538218 455761579 /nfs/dbraw/zinc/76/15/79/455761579.db2.gz DBVJXEYZADCVPP-SRCQZFHVSA-N 1 0 332.425 3.425 10 5 EGBERO CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC[NH+](C)CC1 ZINC000279127196 455859026 /nfs/dbraw/zinc/85/90/26/455859026.db2.gz WNIIQZPKVVHTPX-UHFFFAOYSA-N 1 0 349.434 3.260 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195352034 455947603 /nfs/dbraw/zinc/94/76/03/455947603.db2.gz GEXWXAQYDTXSPJ-LBPRGKRZSA-N 1 0 333.413 3.440 10 5 EGBERO O=[N+]([O-])c1ccc2nccc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000601104855 460711525 /nfs/dbraw/zinc/71/15/25/460711525.db2.gz JFVKSPKGMSQLDG-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO COc1cc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000301613738 456162144 /nfs/dbraw/zinc/16/21/44/456162144.db2.gz HNBPFHLEWOQULH-UHFFFAOYSA-N 1 0 345.374 3.213 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290143311 456251634 /nfs/dbraw/zinc/25/16/34/456251634.db2.gz OFSATSCJUBDSPO-SFHVURJKSA-N 1 0 331.391 3.435 10 5 EGBERO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000302116841 456290720 /nfs/dbraw/zinc/29/07/20/456290720.db2.gz CITBBCYZXSJYLA-BRWVUGGUSA-N 1 0 338.411 3.312 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302182853 456310049 /nfs/dbraw/zinc/31/00/49/456310049.db2.gz RKEOFOFVWDBCOZ-RDTXWAMCSA-N 1 0 341.411 3.020 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000340285872 456363461 /nfs/dbraw/zinc/36/34/61/456363461.db2.gz MFSIWVIHIFFWDT-FUHWJXTLSA-N 1 0 329.375 3.269 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000353115365 456499667 /nfs/dbraw/zinc/49/96/67/456499667.db2.gz DZFNBLVMFXSETR-HSZRJFAPSA-N 1 0 332.425 3.072 10 5 EGBERO CCC[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348226895 456549223 /nfs/dbraw/zinc/54/92/23/456549223.db2.gz LDIUSBTYZYYWQW-WMZOPIPTSA-N 1 0 329.400 3.197 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291241919 456577197 /nfs/dbraw/zinc/57/71/97/456577197.db2.gz LICIVVVBTBTPAU-IBGZPJMESA-N 1 0 326.396 3.039 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000362760231 457082576 /nfs/dbraw/zinc/08/25/76/457082576.db2.gz ULPLZSOCKNHIDT-ZWKOTPCHSA-N 1 0 329.375 3.269 10 5 EGBERO CSc1cccc(C(=O)N2CCC(c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000362845420 457121046 /nfs/dbraw/zinc/12/10/46/457121046.db2.gz ZXHHVJJWHJMGAK-UHFFFAOYSA-N 1 0 346.412 3.060 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000354393609 457195922 /nfs/dbraw/zinc/19/59/22/457195922.db2.gz LEGUBXBCVWXSEE-STQMWFEESA-N 1 0 344.415 3.021 10 5 EGBERO COc1cc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000352524241 457438145 /nfs/dbraw/zinc/43/81/45/457438145.db2.gz ATAIKKGCIHHQHS-INMHGKMJSA-N 1 0 347.459 3.441 10 5 EGBERO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697977 457461887 /nfs/dbraw/zinc/46/18/87/457461887.db2.gz FAVHLTRPEJIPTH-HUUCEWRRSA-N 1 0 349.431 3.060 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]C(C)(C)[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000342823271 457544160 /nfs/dbraw/zinc/54/41/60/457544160.db2.gz VZDZKUHLAGGMAC-NSHDSACASA-N 1 0 334.372 3.112 10 5 EGBERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000370743159 457711273 /nfs/dbraw/zinc/71/12/73/457711273.db2.gz XWKNIWNTXIMSFC-QGZVFWFLSA-N 1 0 345.399 3.299 10 5 EGBERO CC[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000411811055 457983748 /nfs/dbraw/zinc/98/37/48/457983748.db2.gz SFDZWIBFTCFIGO-UONOGXRCSA-N 1 0 349.431 3.443 10 5 EGBERO CC[C@@H](NC(=O)N1CC[N@H+](CC)C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506325 458074045 /nfs/dbraw/zinc/07/40/45/458074045.db2.gz NPKCVKOAYYDQLF-NVXWUHKLSA-N 1 0 348.447 3.172 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362447543 458182416 /nfs/dbraw/zinc/18/24/16/458182416.db2.gz LIGHGPZDBVGPOQ-RHSMWYFYSA-N 1 0 334.416 3.383 10 5 EGBERO COc1cc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000459826653 458486080 /nfs/dbraw/zinc/48/60/80/458486080.db2.gz MNXFBTOYXXVAPP-GFCCVEGCSA-N 1 0 338.404 3.013 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000460353737 458512413 /nfs/dbraw/zinc/51/24/13/458512413.db2.gz QJKFSAKICWNBEI-IRXDYDNUSA-N 1 0 333.432 3.362 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000438957663 458634273 /nfs/dbraw/zinc/63/42/73/458634273.db2.gz KCCLJCOXDCAALS-NEPJUHHUSA-N 1 0 339.823 3.111 10 5 EGBERO CCN(CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000548114890 458839629 /nfs/dbraw/zinc/83/96/29/458839629.db2.gz URUHCRJSDRXTEL-UHFFFAOYSA-N 1 0 345.365 3.227 10 5 EGBERO COC(=O)c1cc(NC[C@H](CC(C)C)[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000474791730 458900981 /nfs/dbraw/zinc/90/09/81/458900981.db2.gz ROLBEFQQYSCHOW-AWEZNQCLSA-N 1 0 337.420 3.078 10 5 EGBERO C[N@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000555834889 458912753 /nfs/dbraw/zinc/91/27/53/458912753.db2.gz OMFHPSATUNGHEI-UHFFFAOYSA-N 1 0 347.459 3.253 10 5 EGBERO COc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000531823520 458984849 /nfs/dbraw/zinc/98/48/49/458984849.db2.gz WBDSNMRLCYFSHC-UHFFFAOYSA-N 1 0 325.384 3.053 10 5 EGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499152 459063477 /nfs/dbraw/zinc/06/34/77/459063477.db2.gz AYAUMJWOIIGIDH-KRWDZBQOSA-N 1 0 328.416 3.155 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512050 459070806 /nfs/dbraw/zinc/07/08/06/459070806.db2.gz SUMNBZVNHILRKT-CAOSSQGBSA-N 1 0 335.448 3.052 10 5 EGBERO COC(=O)c1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000594608006 459110684 /nfs/dbraw/zinc/11/06/84/459110684.db2.gz HHIFLGBRCOFMER-UHFFFAOYSA-N 1 0 346.383 3.395 10 5 EGBERO Cc1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000594738192 459146650 /nfs/dbraw/zinc/14/66/50/459146650.db2.gz BKPBILXDDLVEJP-SFHVURJKSA-N 1 0 327.384 3.176 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000590567592 459150669 /nfs/dbraw/zinc/15/06/69/459150669.db2.gz BRCODRXIKBMXOA-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO Cn1cc(C[NH2+]C[C@@]2(C)CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988051 459206086 /nfs/dbraw/zinc/20/60/86/459206086.db2.gz YCXHLJNUEAULSM-OAHLLOKOSA-N 1 0 336.342 3.130 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000595052502 459228860 /nfs/dbraw/zinc/22/88/60/459228860.db2.gz YFIZKHFDOYLLTQ-GFCCVEGCSA-N 1 0 330.306 3.415 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000595058518 459230825 /nfs/dbraw/zinc/23/08/25/459230825.db2.gz CHBKNXIMSNBJQN-AWEZNQCLSA-N 1 0 341.411 3.390 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595092731 459242180 /nfs/dbraw/zinc/24/21/80/459242180.db2.gz ZVKGGKCQUKDPJW-IKICRFKJSA-N 1 0 330.428 3.199 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000595110215 459248374 /nfs/dbraw/zinc/24/83/74/459248374.db2.gz YSPGRMJIUUGJMC-SQWLQELKSA-N 1 0 328.416 3.390 10 5 EGBERO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595423163 459296086 /nfs/dbraw/zinc/29/60/86/459296086.db2.gz ZRHZEXUHKZJMAR-QSPRXWTASA-N 1 0 331.416 3.083 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000595606937 459363734 /nfs/dbraw/zinc/36/37/34/459363734.db2.gz XYXQWNSBINLMDA-YJBOKZPZSA-N 1 0 348.443 3.427 10 5 EGBERO NC(=O)c1ccc(C[NH2+][C@H]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000595606981 459363970 /nfs/dbraw/zinc/36/39/70/459363970.db2.gz YZWXYVATIGOESB-INIZCTEOSA-N 1 0 331.416 3.286 10 5 EGBERO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595641135 459380596 /nfs/dbraw/zinc/38/05/96/459380596.db2.gz BVPGQCCFGYDRAQ-GFCCVEGCSA-N 1 0 337.420 3.346 10 5 EGBERO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595817632 459450730 /nfs/dbraw/zinc/45/07/30/459450730.db2.gz AENIEMGXDWFSMA-IWMBGFJWSA-N 1 0 337.395 3.428 10 5 EGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595818377 459452451 /nfs/dbraw/zinc/45/24/51/459452451.db2.gz HUDSHPMZUWJVOJ-IYXRBSQSSA-N 1 0 337.395 3.430 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595828173 459454675 /nfs/dbraw/zinc/45/46/75/459454675.db2.gz VCYDOYABTWDZEV-CMPLNLGQSA-N 1 0 330.306 3.082 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](CCC1CC1)CC1CC1 ZINC000595871847 459468892 /nfs/dbraw/zinc/46/88/92/459468892.db2.gz RUKHETMFAFZTIR-ZDUSSCGKSA-N 1 0 331.416 3.434 10 5 EGBERO CC(C)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CC=CC1 ZINC000592177809 459543799 /nfs/dbraw/zinc/54/37/99/459543799.db2.gz SNCKXZBHBRXACF-INIZCTEOSA-N 1 0 340.370 3.316 10 5 EGBERO COc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596181969 459551566 /nfs/dbraw/zinc/55/15/66/459551566.db2.gz ISKZMQZBWQVTIN-UHFFFAOYSA-N 1 0 339.823 3.321 10 5 EGBERO C[C@@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000596200620 459558347 /nfs/dbraw/zinc/55/83/47/459558347.db2.gz NHLAONWXEDAAEG-SFHVURJKSA-N 1 0 342.399 3.162 10 5 EGBERO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592372793 459583571 /nfs/dbraw/zinc/58/35/71/459583571.db2.gz OZISBLSDRWCAQX-NSHDSACASA-N 1 0 338.358 3.376 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592538639 459628729 /nfs/dbraw/zinc/62/87/29/459628729.db2.gz ZDJSFXBSWWZWSQ-JKSUJKDBSA-N 1 0 345.443 3.124 10 5 EGBERO COc1ccc2oc3c(C)ccc(NCC[NH+](C)C)c3c(=O)c2c1 ZINC000584590523 459773934 /nfs/dbraw/zinc/77/39/34/459773934.db2.gz BNGCWLQRWDOFAV-UHFFFAOYSA-N 1 0 326.396 3.237 10 5 EGBERO CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000596865892 459782711 /nfs/dbraw/zinc/78/27/11/459782711.db2.gz KBZVQODJSVZQNF-CQSZACIVSA-N 1 0 334.420 3.160 10 5 EGBERO Cn1ccnc1[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000584744327 459793864 /nfs/dbraw/zinc/79/38/64/459793864.db2.gz WKEIIBFXMOMJTN-KRWDZBQOSA-N 1 0 339.399 3.093 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000597233090 459886780 /nfs/dbraw/zinc/88/67/80/459886780.db2.gz WZOJUHURINFHBB-IUYQLWOBSA-N 1 0 345.443 3.235 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593463119 459896398 /nfs/dbraw/zinc/89/63/98/459896398.db2.gz MNQUBHMKFVFRPB-HNNXBMFYSA-N 1 0 326.400 3.208 10 5 EGBERO C[C@H]1C[N@H+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000593473053 459899934 /nfs/dbraw/zinc/89/99/34/459899934.db2.gz QYCQSXSZCJFCNF-AWEZNQCLSA-N 1 0 344.415 3.056 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593652692 459941749 /nfs/dbraw/zinc/94/17/49/459941749.db2.gz KNOUTFWEKIXCTI-MUPIXQSSSA-N 1 0 338.407 3.074 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000593724870 459966018 /nfs/dbraw/zinc/96/60/18/459966018.db2.gz AAEJFFHGZHVGJD-DYVFJYSZSA-N 1 0 341.411 3.330 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594040572 460069654 /nfs/dbraw/zinc/06/96/54/460069654.db2.gz HABQOAVOMZCLAO-NVXWUHKLSA-N 1 0 349.431 3.169 10 5 EGBERO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044544 460070716 /nfs/dbraw/zinc/07/07/16/460070716.db2.gz RPSIGQAEPPSBPH-HIFRSBDPSA-N 1 0 326.368 3.180 10 5 EGBERO CCSCC[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501611 460095696 /nfs/dbraw/zinc/09/56/96/460095696.db2.gz RSQKYTCHPMYJDZ-LBPRGKRZSA-N 1 0 340.445 3.345 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000598038929 460151390 /nfs/dbraw/zinc/15/13/90/460151390.db2.gz HKVNWCGEKOFVFL-WMZOPIPTSA-N 1 0 347.459 3.106 10 5 EGBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599079042 460153543 /nfs/dbraw/zinc/15/35/43/460153543.db2.gz ANRAADUPRRAWHQ-UKRRQHHQSA-N 1 0 326.400 3.206 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000599164079 460183291 /nfs/dbraw/zinc/18/32/91/460183291.db2.gz JEGIOPOEIICRFB-LLVKDONJSA-N 1 0 333.417 3.028 10 5 EGBERO COc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000610716019 460223849 /nfs/dbraw/zinc/22/38/49/460223849.db2.gz PVOKJLVWUNSHQT-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000610830952 460245490 /nfs/dbraw/zinc/24/54/90/460245490.db2.gz MNEJSHCCHPGVFA-ZIAGYGMSSA-N 1 0 342.399 3.100 10 5 EGBERO CO[C@]1(C(F)(F)F)CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000615141421 460283089 /nfs/dbraw/zinc/28/30/89/460283089.db2.gz XHIRMCNXFPPQEC-CQSZACIVSA-N 1 0 332.322 3.447 10 5 EGBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599625817 460291119 /nfs/dbraw/zinc/29/11/19/460291119.db2.gz PVIFIQFESCIOEH-AZKPJATDSA-N 1 0 331.372 3.151 10 5 EGBERO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599628639 460292082 /nfs/dbraw/zinc/29/20/82/460292082.db2.gz CHESZMWLUOVWCP-OAHLLOKOSA-N 1 0 332.379 3.199 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599751859 460327279 /nfs/dbraw/zinc/32/72/79/460327279.db2.gz FAFDNLDKQFHFPW-OAHLLOKOSA-N 1 0 346.431 3.350 10 5 EGBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555668 460830957 /nfs/dbraw/zinc/83/09/57/460830957.db2.gz FQESMXVSNOVAOL-SMDDNHRTSA-N 1 0 345.424 3.024 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191334738 527749787 /nfs/dbraw/zinc/74/97/87/527749787.db2.gz QLCWQNLGJMBRIG-GDBMZVCRSA-N 1 0 348.447 3.406 10 5 EGBERO CC1(CNc2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129456548 527988163 /nfs/dbraw/zinc/98/81/63/527988163.db2.gz NPQAJOPHCWGEBJ-UHFFFAOYSA-N 1 0 328.210 3.159 10 5 EGBERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000744429728 576827990 /nfs/dbraw/zinc/82/79/90/576827990.db2.gz ZZCIOFBFYFNTDK-MNOVXSKESA-N 1 0 325.796 3.307 10 5 EGBERO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)NC(=O)OC(C)(C)C ZINC000192684005 1295788845 /nfs/dbraw/zinc/78/88/45/1295788845.db2.gz XBWBSYGDIKYJFP-SNVBAGLBSA-N 1 0 343.811 3.251 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870573947 1295949630 /nfs/dbraw/zinc/94/96/30/1295949630.db2.gz TUKACLDTZIUKQJ-PFONDFGASA-N 1 0 345.443 3.331 10 5 EGBERO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227686787 1296145167 /nfs/dbraw/zinc/14/51/67/1296145167.db2.gz CBRNIZFJFDPXCI-JTQLQIEISA-N 1 0 343.811 3.251 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156417 1296245613 /nfs/dbraw/zinc/24/56/13/1296245613.db2.gz ZLJQYYCQDUTXTA-INIZCTEOSA-N 1 0 347.459 3.106 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000871355641 1296364382 /nfs/dbraw/zinc/36/43/82/1296364382.db2.gz KXIUYFUQZLJIPT-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000872073580 1296720044 /nfs/dbraw/zinc/72/00/44/1296720044.db2.gz SAJOPLHTAZHJPK-UJDVCPFMSA-N 1 0 349.406 3.032 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075550 1296721331 /nfs/dbraw/zinc/72/13/31/1296721331.db2.gz DOCUNRBVGJTLKE-HWWQOWPSSA-N 1 0 348.378 3.038 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[C@@H]1SC ZINC000872080638 1296722695 /nfs/dbraw/zinc/72/26/95/1296722695.db2.gz BFDZDPABORUXHI-YYWQGFNFSA-N 1 0 328.409 3.294 10 5 EGBERO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129813 1296753928 /nfs/dbraw/zinc/75/39/28/1296753928.db2.gz WDTKQAOENMNFFT-GJZGRUSLSA-N 1 0 333.432 3.427 10 5 EGBERO CC(=O)c1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000310598713 1297097598 /nfs/dbraw/zinc/09/75/98/1297097598.db2.gz OJTRDANIUWGTKQ-QGZVFWFLSA-N 1 0 340.379 3.451 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC000700004169 1298174946 /nfs/dbraw/zinc/17/49/46/1298174946.db2.gz MOERWXFZOUNEBD-NSHDSACASA-N 1 0 329.194 3.124 10 5 EGBERO O=C(C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000879668962 1300665318 /nfs/dbraw/zinc/66/53/18/1300665318.db2.gz CCJDMSLWRKSDIK-GHMZBOCLSA-N 1 0 343.305 3.020 10 5 EGBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000893026461 1305666102 /nfs/dbraw/zinc/66/61/02/1305666102.db2.gz NJSPDYYSFIAXNX-STQMWFEESA-N 1 0 337.395 3.069 10 5 EGBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559565 1328795033 /nfs/dbraw/zinc/79/50/33/1328795033.db2.gz NCMKJKVTXHIDGJ-CABCVRRESA-N 1 0 339.395 3.105 10 5 EGBERO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917077612 1319751065 /nfs/dbraw/zinc/75/10/65/1319751065.db2.gz WKURXJFHEHSLIO-UHFFFAOYSA-N 1 0 333.392 3.055 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)c2c1 ZINC000926440761 1325555644 /nfs/dbraw/zinc/55/56/44/1325555644.db2.gz SFHPMEZVWGGZBB-BEFAXECRSA-N 1 0 343.427 3.413 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C ZINC000860501131 1329324715 /nfs/dbraw/zinc/32/47/15/1329324715.db2.gz MWDKCVAYDRFDOS-KGLIPLIRSA-N 1 0 341.411 3.303 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc(C)n(C)n1 ZINC000926909157 1327770299 /nfs/dbraw/zinc/77/02/99/1327770299.db2.gz IRSUIBGPRKNUIE-GFCCVEGCSA-N 1 0 334.445 3.252 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951931 1327791969 /nfs/dbraw/zinc/79/19/69/1327791969.db2.gz GRLKBTBWZNDXTN-OUJBWJOFSA-N 1 0 345.321 3.100 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000926964766 1327802179 /nfs/dbraw/zinc/80/21/79/1327802179.db2.gz SVQTZHHNFZTSPT-FZMZJTMJSA-N 1 0 333.354 3.436 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927029308 1327825437 /nfs/dbraw/zinc/82/54/37/1327825437.db2.gz CQEMTKSMYULGQV-YRGRVCCFSA-N 1 0 337.445 3.186 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000928011709 1328171296 /nfs/dbraw/zinc/17/12/96/1328171296.db2.gz CVWNPPNQIVHESC-UHFFFAOYSA-N 1 0 349.406 3.261 10 5 EGBERO Cc1nc([N+](=O)[O-])c(Br)n1Cc1c(C)cc(C)[nH+]c1C ZINC000865352792 1329688322 /nfs/dbraw/zinc/68/83/22/1329688322.db2.gz UIACAFMPRFSVSI-UHFFFAOYSA-N 1 0 339.193 3.231 10 5 EGBERO CCOc1cc(F)cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000865435209 1329696997 /nfs/dbraw/zinc/69/69/97/1329696997.db2.gz ZVMONVADQOMALM-UHFFFAOYSA-N 1 0 334.347 3.431 10 5 EGBERO Cc1noc(C)c1CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866279649 1330089750 /nfs/dbraw/zinc/08/97/50/1330089750.db2.gz ATGOEDUTVXMIEV-NSHDSACASA-N 1 0 335.379 3.492 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866540233 1330124253 /nfs/dbraw/zinc/12/42/53/1330124253.db2.gz WTPLMSORYOVWMR-PVUWLOKVSA-N 1 0 336.407 3.317 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3([C@H]4CCCO4)CCC3)co2)cc1 ZINC001198704975 1369095068 /nfs/dbraw/zinc/09/50/68/1369095068.db2.gz FRMLAJPKHWNMJU-MRXNPFEDSA-N 1 0 343.383 3.441 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001125082366 1372751610 /nfs/dbraw/zinc/75/16/10/1372751610.db2.gz KAUIMDPQRDQWDL-MRXNPFEDSA-N 1 0 340.379 3.331 10 5 EGBERO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001131096155 1373643496 /nfs/dbraw/zinc/64/34/96/1373643496.db2.gz QLHDREOPHHRAOO-CQSZACIVSA-N 1 0 347.459 3.495 10 5 EGBERO Cc1coc(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)c1 ZINC001326875230 1388335652 /nfs/dbraw/zinc/33/56/52/1388335652.db2.gz MNNVPOXYEZLPCV-UHFFFAOYSA-N 1 0 349.412 3.000 10 5 EGBERO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001189060930 1388449895 /nfs/dbraw/zinc/44/98/95/1388449895.db2.gz IWIQJXGHGCJMSN-HUUCEWRRSA-N 1 0 328.416 3.436 10 5 EGBERO CC/C(C)=C\C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001268036074 1377483187 /nfs/dbraw/zinc/48/31/87/1377483187.db2.gz KVOYJXOVDNNKQH-QINSGFPZSA-N 1 0 345.443 3.470 10 5 EGBERO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1F ZINC001148334134 1379154111 /nfs/dbraw/zinc/15/41/11/1379154111.db2.gz FFJXVOSXHSBEBE-UHFFFAOYSA-N 1 0 349.337 3.116 10 5 EGBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001154077748 1380199631 /nfs/dbraw/zinc/19/96/31/1380199631.db2.gz DRYKDDVAHICBRZ-CYBMUJFWSA-N 1 0 337.395 3.037 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001294471652 1382462152 /nfs/dbraw/zinc/46/21/52/1382462152.db2.gz BZGVCBFYNXQHRH-CZUORRHYSA-N 1 0 333.432 3.067 10 5 EGBERO CC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164352188 1383179988 /nfs/dbraw/zinc/17/99/88/1383179988.db2.gz ZKELURWOONKYKI-AEFFLSMTSA-N 1 0 345.443 3.497 10 5 EGBERO C[C@@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001306971052 1383927961 /nfs/dbraw/zinc/92/79/61/1383927961.db2.gz ABCRVSBGAUVKCA-LLVKDONJSA-N 1 0 334.395 3.092 10 5 EGBERO CC[C@@H](C)[N@@H+](CCc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC001307439195 1383991277 /nfs/dbraw/zinc/99/12/77/1383991277.db2.gz RGAVKQVHXNJEQS-CQSZACIVSA-N 1 0 334.395 3.274 10 5 EGBERO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC001307971468 1384065971 /nfs/dbraw/zinc/06/59/71/1384065971.db2.gz ABQKRBBVGQONLA-SFHVURJKSA-N 1 0 328.416 3.197 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C1CC=CC1 ZINC001318623998 1385800443 /nfs/dbraw/zinc/80/04/43/1385800443.db2.gz LNBPMTJSEJTVAL-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C1CCCC1 ZINC001698622774 1406261897 /nfs/dbraw/zinc/26/18/97/1406261897.db2.gz GYYAWQQTGXCGJF-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(CC)CCC1 ZINC001320816515 1386726938 /nfs/dbraw/zinc/72/69/38/1386726938.db2.gz WFLOHCXTIGXEJU-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC001181431492 1386993557 /nfs/dbraw/zinc/99/35/57/1386993557.db2.gz RSSLSARIZFYGQS-JKSUJKDBSA-N 1 0 345.443 3.077 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001350450637 1391466419 /nfs/dbraw/zinc/46/64/19/1391466419.db2.gz CBGGNKUPFRRBPY-KBPBESRZSA-N 1 0 333.432 3.204 10 5 EGBERO O=C(CC1CCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001495907404 1396570389 /nfs/dbraw/zinc/57/03/89/1396570389.db2.gz PZRDBHWMACEHCN-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccsc1C ZINC001699180591 1412556062 /nfs/dbraw/zinc/55/60/62/1412556062.db2.gz PTIPZMLEEUSHDX-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1=CCCCCC1 ZINC001699650045 1413032201 /nfs/dbraw/zinc/03/22/01/1413032201.db2.gz HLJHSWZXVZTIOC-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001722989442 1424283663 /nfs/dbraw/zinc/28/36/63/1424283663.db2.gz AEILVBMQVZZOPX-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\C(C)(C)C ZINC001724848786 1425207471 /nfs/dbraw/zinc/20/74/71/1425207471.db2.gz RRWRNISRKRVQQJ-KHPPLWFESA-N 1 0 347.459 3.477 10 5 EGBERO Cc1sc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000175046024 231374873 /nfs/dbraw/zinc/37/48/73/231374873.db2.gz QAGNKBHNMNVNNF-OLZOCXBDSA-N 1 0 337.445 3.052 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183334017 529761421 /nfs/dbraw/zinc/76/14/21/529761421.db2.gz GAOKFGHMRQJHOK-KRWDZBQOSA-N 1 0 328.416 3.499 10 5 EGBERO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101914355 219172953 /nfs/dbraw/zinc/17/29/53/219172953.db2.gz FCIKIPVAWXQHSQ-GJZGRUSLSA-N 1 0 333.432 3.284 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1NCCC1CC[NH2+]CC1 ZINC000039956319 213246320 /nfs/dbraw/zinc/24/63/20/213246320.db2.gz JQOMJAZEKWFOIO-UHFFFAOYSA-N 1 0 328.210 3.159 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2cccc(F)c2)n1 ZINC000359100145 241899585 /nfs/dbraw/zinc/89/95/85/241899585.db2.gz XJVQHYUDPMFEJT-UHFFFAOYSA-N 1 0 346.406 3.314 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247167672 243384783 /nfs/dbraw/zinc/38/47/83/243384783.db2.gz VBNWDIWLRUOPQD-DZKIICNBSA-N 1 0 348.447 3.088 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178446091 533023533 /nfs/dbraw/zinc/02/35/33/533023533.db2.gz YCIKAZCAKIUEKH-CXAGYDPISA-N 1 0 330.384 3.296 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130508739 533023004 /nfs/dbraw/zinc/02/30/04/533023004.db2.gz BPMYVKODPNIAOD-CXAGYDPISA-N 1 0 330.384 3.296 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(Cl)c1 ZINC000040153820 296507224 /nfs/dbraw/zinc/50/72/24/296507224.db2.gz HSXKUBOXIJTMDV-MLGOLLRUSA-N 1 0 339.823 3.161 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000172603433 144023678 /nfs/dbraw/zinc/02/36/78/144023678.db2.gz INLQPMSPOOGADF-GHMZBOCLSA-N 1 0 349.412 3.343 10 5 EGBERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178639814 144073897 /nfs/dbraw/zinc/07/38/97/144073897.db2.gz DIRCXIBJVGHPTO-BLLLJJGKSA-N 1 0 325.368 3.371 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000344875800 144235056 /nfs/dbraw/zinc/23/50/56/144235056.db2.gz XAMBKECHWKMONK-CYBMUJFWSA-N 1 0 336.310 3.051 10 5 EGBERO Cc1ccnc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000363792008 144367227 /nfs/dbraw/zinc/36/72/27/144367227.db2.gz HGXUFXPJKAHWHR-UHFFFAOYSA-N 1 0 326.400 3.115 10 5 EGBERO C[C@@H](O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304107580 154066885 /nfs/dbraw/zinc/06/68/85/154066885.db2.gz DDYKGYBVIFDKLQ-GFCCVEGCSA-N 1 0 334.347 3.387 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000341063165 155131431 /nfs/dbraw/zinc/13/14/31/155131431.db2.gz DHVMWOREIMRUPT-TXEJJXNPSA-N 1 0 339.823 3.241 10 5 EGBERO CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000131054581 162388467 /nfs/dbraw/zinc/38/84/67/162388467.db2.gz LHFRRLSAZGFMSC-UHFFFAOYSA-N 1 0 336.779 3.031 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249106313 163056692 /nfs/dbraw/zinc/05/66/92/163056692.db2.gz QLCWQNLGJMBRIG-GOEBONIOSA-N 1 0 348.447 3.406 10 5 EGBERO COc1cc(C[NH2+]CCc2cccc3[nH]ccc32)c([N+](=O)[O-])cc1O ZINC000337274924 163190123 /nfs/dbraw/zinc/19/01/23/163190123.db2.gz DKRIYGHULSPORW-UHFFFAOYSA-N 1 0 341.367 3.123 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccco1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000343876714 164056138 /nfs/dbraw/zinc/05/61/38/164056138.db2.gz WNVVZNWVTYMVTL-UHFFFAOYSA-N 1 0 338.795 3.195 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344033830 164087312 /nfs/dbraw/zinc/08/73/12/164087312.db2.gz FWEWYJQFRQZFRC-UONOGXRCSA-N 1 0 347.415 3.219 10 5 EGBERO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1cccc(OC)c1 ZINC000344431700 164177305 /nfs/dbraw/zinc/17/73/05/164177305.db2.gz KVIKAKAHDCEGQH-KRWDZBQOSA-N 1 0 344.415 3.493 10 5 EGBERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355457906 166206166 /nfs/dbraw/zinc/20/61/66/166206166.db2.gz IVVJERQGSHPYMV-OAHLLOKOSA-N 1 0 347.459 3.010 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000368057940 168305178 /nfs/dbraw/zinc/30/51/78/168305178.db2.gz OYQSNZGMDAHRAX-SJLPKXTDSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177550304 265262526 /nfs/dbraw/zinc/26/25/26/265262526.db2.gz RRJYFOBSEXPQNS-RRFJBIMHSA-N 1 0 331.416 3.352 10 5 EGBERO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278568121 268041274 /nfs/dbraw/zinc/04/12/74/268041274.db2.gz DEPXGZKTWVOVHE-UHFFFAOYSA-N 1 0 331.319 3.402 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172170738 274118751 /nfs/dbraw/zinc/11/87/51/274118751.db2.gz FYUSWXLAFMWYHJ-VXGBXAGGSA-N 1 0 335.404 3.099 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000271071054 275237788 /nfs/dbraw/zinc/23/77/88/275237788.db2.gz FCINFWCYLFJZON-UWTIGNOOSA-N 1 0 349.431 3.091 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000278616690 275259402 /nfs/dbraw/zinc/25/94/02/275259402.db2.gz FSRBCCDWXIIHMJ-WDEREUQCSA-N 1 0 345.321 3.196 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287406252 276116654 /nfs/dbraw/zinc/11/66/54/276116654.db2.gz ZCXPDZXENIIHDH-JHBDWUGASA-N 1 0 343.427 3.083 10 5 EGBERO COc1ccc(CN(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000289387434 276331570 /nfs/dbraw/zinc/33/15/70/276331570.db2.gz DKCWGBKFEHKHLM-UHFFFAOYSA-N 1 0 349.456 3.229 10 5 EGBERO Cc1c(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000185717589 280244826 /nfs/dbraw/zinc/24/48/26/280244826.db2.gz JWAMJRJCCCECTH-CYBMUJFWSA-N 1 0 334.420 3.289 10 5 EGBERO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293655507 308150166 /nfs/dbraw/zinc/15/01/66/308150166.db2.gz IUKQBSJLKSMWJB-ZDUSSCGKSA-N 1 0 343.431 3.269 10 5 EGBERO C[C@H](CC[S@](C)=O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352849456 308885950 /nfs/dbraw/zinc/88/59/50/308885950.db2.gz PAKPXCOLHQGZHJ-OSDILXSKSA-N 1 0 346.452 3.431 10 5 EGBERO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929100 309109871 /nfs/dbraw/zinc/10/98/71/309109871.db2.gz NOLJJKLZOYNYKW-WBMJQRKESA-N 1 0 331.441 3.411 10 5 EGBERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415709367 309141605 /nfs/dbraw/zinc/14/16/05/309141605.db2.gz YGKFZZKJAQJSAX-NWDGAFQWSA-N 1 0 334.420 3.093 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000418099600 309235439 /nfs/dbraw/zinc/23/54/39/309235439.db2.gz QBQSLCDEIDYXPY-MRXNPFEDSA-N 1 0 328.368 3.223 10 5 EGBERO C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 ZINC000423529010 309405140 /nfs/dbraw/zinc/40/51/40/309405140.db2.gz PMLOWFOCIKXYOY-SYSJQSPFSA-N 1 0 329.444 3.399 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000445991811 309952986 /nfs/dbraw/zinc/95/29/86/309952986.db2.gz NCSOVMJNFKFHDB-UHFFFAOYSA-N 1 0 347.459 3.108 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419010 310060360 /nfs/dbraw/zinc/06/03/60/310060360.db2.gz GKSCSXZOLAEASY-OALUTQOASA-N 1 0 344.386 3.203 10 5 EGBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449420037 310060517 /nfs/dbraw/zinc/06/05/17/310060517.db2.gz ISRBWTGQSVDURR-YOEHRIQHSA-N 1 0 330.384 3.448 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CF)CCOCC3)o2)cc1 ZINC000449445865 310062454 /nfs/dbraw/zinc/06/24/54/310062454.db2.gz MGHVLXDJTIXOTL-UHFFFAOYSA-N 1 0 334.347 3.463 10 5 EGBERO COc1ccc(C[NH2+]C[C@@](C)(OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000449482120 310065853 /nfs/dbraw/zinc/06/58/53/310065853.db2.gz AMVWAZOAFSPOIT-GOSISDBHSA-N 1 0 330.384 3.255 10 5 EGBERO COC1([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453145698 310260783 /nfs/dbraw/zinc/26/07/83/310260783.db2.gz HEGVAWMLHOBHTQ-HNNXBMFYSA-N 1 0 336.432 3.091 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CF)CCOCC1)C1CC1 ZINC000453301677 310269876 /nfs/dbraw/zinc/26/98/76/310269876.db2.gz AHDYZYFAUXSHEJ-INIZCTEOSA-N 1 0 336.407 3.272 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)C2CCC2)c2ccccc2)c1 ZINC000453376355 310273782 /nfs/dbraw/zinc/27/37/82/310273782.db2.gz IEDKXURNDASMMR-OALUTQOASA-N 1 0 326.396 3.435 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(C2)CCCOC3)o1 ZINC000459603234 310564029 /nfs/dbraw/zinc/56/40/29/310564029.db2.gz HKJSMISNILCLCY-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946977 310593889 /nfs/dbraw/zinc/59/38/89/310593889.db2.gz HWLYPHTVBAGRDQ-YGRLFVJLSA-N 1 0 331.338 3.308 10 5 EGBERO CC[C@H]1C[C@@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000564120009 316115128 /nfs/dbraw/zinc/11/51/28/316115128.db2.gz FTXVAHOXVZKYAU-BBRMVZONSA-N 1 0 331.416 3.413 10 5 EGBERO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564125406 316115686 /nfs/dbraw/zinc/11/56/86/316115686.db2.gz WQUVMTQSINCSSG-MRXNPFEDSA-N 1 0 339.399 3.019 10 5 EGBERO CC(C)Oc1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000566477516 316483242 /nfs/dbraw/zinc/48/32/42/316483242.db2.gz DQCZWKVMDWWRCH-OAHLLOKOSA-N 1 0 348.447 3.232 10 5 EGBERO C[NH2+]CC1(c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)CC1 ZINC000600790992 460606677 /nfs/dbraw/zinc/60/66/77/460606677.db2.gz CNIUOMQTTDMHMW-UHFFFAOYSA-N 1 0 326.396 3.048 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076158111 453973595 /nfs/dbraw/zinc/97/35/95/453973595.db2.gz HHPLQWZMMJLUGD-UHFFFAOYSA-N 1 0 327.384 3.260 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000085620285 454034962 /nfs/dbraw/zinc/03/49/62/454034962.db2.gz JOAWCGIQIBTENY-UHFFFAOYSA-N 1 0 348.447 3.455 10 5 EGBERO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000076776177 454035758 /nfs/dbraw/zinc/03/57/58/454035758.db2.gz BLWXGULTMKDAOY-AWEZNQCLSA-N 1 0 348.447 3.019 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732275 454185792 /nfs/dbraw/zinc/18/57/92/454185792.db2.gz GHJVAHVTPUVNCG-GOEBONIOSA-N 1 0 341.415 3.013 10 5 EGBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000119397293 454192212 /nfs/dbraw/zinc/19/22/12/454192212.db2.gz UCIQRXIZJWAPBF-CQSZACIVSA-N 1 0 330.384 3.242 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120177710 454268477 /nfs/dbraw/zinc/26/84/77/454268477.db2.gz ASKCPHWNCDMHKU-CQSZACIVSA-N 1 0 331.416 3.133 10 5 EGBERO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000079437547 454415089 /nfs/dbraw/zinc/41/50/89/454415089.db2.gz KCLNUANNGXOZNW-HIFRSBDPSA-N 1 0 342.399 3.246 10 5 EGBERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000064441791 454482099 /nfs/dbraw/zinc/48/20/99/454482099.db2.gz RCCDJONCKILTIR-LLVKDONJSA-N 1 0 327.450 3.205 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000162129493 454752599 /nfs/dbraw/zinc/75/25/99/454752599.db2.gz XEAGYVXRKCVNCF-ZANVPECISA-N 1 0 329.194 3.014 10 5 EGBERO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153033535 454753999 /nfs/dbraw/zinc/75/39/99/454753999.db2.gz KQYMXZZOHVORTB-LBPRGKRZSA-N 1 0 343.358 3.119 10 5 EGBERO O=c1[nH]c2ccccc2cc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153029563 454754355 /nfs/dbraw/zinc/75/43/55/454754355.db2.gz CSSIUWYFMCVTLA-UHFFFAOYSA-N 1 0 335.363 3.407 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127574268 454978844 /nfs/dbraw/zinc/97/88/44/454978844.db2.gz VABQRICSAHXJTG-CQSZACIVSA-N 1 0 334.420 3.160 10 5 EGBERO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000267104612 455501775 /nfs/dbraw/zinc/50/17/75/455501775.db2.gz XGPDJCONOLSTRQ-WBVHZDCISA-N 1 0 333.432 3.193 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245396550 455285326 /nfs/dbraw/zinc/28/53/26/455285326.db2.gz LQSUUDAGMQPGEQ-CZUORRHYSA-N 1 0 347.415 3.197 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000245520012 455320230 /nfs/dbraw/zinc/32/02/30/455320230.db2.gz JEKLYDDWVRFDSC-AEFFLSMTSA-N 1 0 347.459 3.151 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181536902 455351308 /nfs/dbraw/zinc/35/13/08/455351308.db2.gz DETFCWICFQJSQP-MJGOQNOKSA-N 1 0 344.411 3.384 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N(CC(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181543121 455352389 /nfs/dbraw/zinc/35/23/89/455352389.db2.gz SNQWUBWDRKRQCP-QGZVFWFLSA-N 1 0 333.432 3.283 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N(CC(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181543103 455352484 /nfs/dbraw/zinc/35/24/84/455352484.db2.gz SNQWUBWDRKRQCP-KRWDZBQOSA-N 1 0 333.432 3.283 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181550562 455353329 /nfs/dbraw/zinc/35/33/29/455353329.db2.gz LZAOPHOAQKGEGQ-ROUUACIJSA-N 1 0 344.411 3.384 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CO)CCC2)c2ccccc2)c1 ZINC000184522562 455395611 /nfs/dbraw/zinc/39/56/11/455395611.db2.gz OJLOHZUUPNJTHC-SFHVURJKSA-N 1 0 326.396 3.436 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246012291 455414261 /nfs/dbraw/zinc/41/42/61/455414261.db2.gz TYKIBAWYZJNVQD-ZFWWWQNUSA-N 1 0 334.420 3.097 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000267961122 455570096 /nfs/dbraw/zinc/57/00/96/455570096.db2.gz LBCNUEIKKPTGJW-GXTWGEPZSA-N 1 0 334.420 3.158 10 5 EGBERO COc1ccc([C@H](C[NH+](C)C)NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000283797710 455595113 /nfs/dbraw/zinc/59/51/13/455595113.db2.gz ACFVOWQDSNBGDQ-IBGZPJMESA-N 1 0 343.427 3.304 10 5 EGBERO CC[N@H+](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000277677303 455631659 /nfs/dbraw/zinc/63/16/59/455631659.db2.gz IHHGDCBXDMDFOV-UHFFFAOYSA-N 1 0 349.434 3.308 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000192869712 455709024 /nfs/dbraw/zinc/70/90/24/455709024.db2.gz KPMXCKIRFSFKKM-LLVKDONJSA-N 1 0 349.412 3.344 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248621010 455723544 /nfs/dbraw/zinc/72/35/44/455723544.db2.gz COFUIRLITHVMNE-UONOGXRCSA-N 1 0 334.420 3.158 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278284922 455806289 /nfs/dbraw/zinc/80/62/89/455806289.db2.gz QDMYAQCCOXBPTI-UHFFFAOYSA-N 1 0 345.374 3.481 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216161666 456028308 /nfs/dbraw/zinc/02/83/08/456028308.db2.gz OWQFKNXVALYCLH-AWEZNQCLSA-N 1 0 327.384 3.444 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000301432717 456115295 /nfs/dbraw/zinc/11/52/95/456115295.db2.gz HMYGXRUOXWHIMW-UHFFFAOYSA-N 1 0 345.374 3.213 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301870866 456237871 /nfs/dbraw/zinc/23/78/71/456237871.db2.gz PKQALYDSZBNDCD-ZBFHGGJFSA-N 1 0 338.411 3.330 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000347745050 456345336 /nfs/dbraw/zinc/34/53/36/456345336.db2.gz RYEKPQPUZUQCHZ-UHFFFAOYSA-N 1 0 326.381 3.403 10 5 EGBERO CN1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000340279196 456358364 /nfs/dbraw/zinc/35/83/64/456358364.db2.gz OTIGVDAKERRBQD-RBUKOAKNSA-N 1 0 341.411 3.009 10 5 EGBERO C[C@](CO)([NH2+]Cc1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148509 460730850 /nfs/dbraw/zinc/73/08/50/460730850.db2.gz CQCKZUSQNQTCHR-LJQANCHMSA-N 1 0 326.396 3.470 10 5 EGBERO CC[N@@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787113 456430860 /nfs/dbraw/zinc/43/08/60/456430860.db2.gz CRVYPGMKKZRFLT-SNVBAGLBSA-N 1 0 332.231 3.333 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@H]1n1cccn1 ZINC000340537221 456518694 /nfs/dbraw/zinc/51/86/94/456518694.db2.gz LIBPIZXKMRRRNM-OXXUSNJHSA-N 1 0 344.415 3.169 10 5 EGBERO CCC[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348225716 456547755 /nfs/dbraw/zinc/54/77/55/456547755.db2.gz LDIUSBTYZYYWQW-AEFFLSMTSA-N 1 0 329.400 3.197 10 5 EGBERO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310891804 456586180 /nfs/dbraw/zinc/58/61/80/456586180.db2.gz ZENARDGNMOQOHN-YESZJQIVSA-N 1 0 338.411 3.312 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnn1-c1ccccc1 ZINC000348667489 456807876 /nfs/dbraw/zinc/80/78/76/456807876.db2.gz CYGZWBJMNUEXKK-UHFFFAOYSA-N 1 0 336.395 3.455 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000348835706 456877162 /nfs/dbraw/zinc/87/71/62/456877162.db2.gz AXTPBYUROGXNJI-GXSJLCMTSA-N 1 0 330.331 3.135 10 5 EGBERO CO[C@@H](CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000345036067 456905726 /nfs/dbraw/zinc/90/57/26/456905726.db2.gz PKKLETKDHDKEAT-AWEZNQCLSA-N 1 0 343.305 3.253 10 5 EGBERO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354418824 457210810 /nfs/dbraw/zinc/21/08/10/457210810.db2.gz JARRXZHAZGFNQN-AWEZNQCLSA-N 1 0 346.818 3.354 10 5 EGBERO Cc1nc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000354422141 457212145 /nfs/dbraw/zinc/21/21/45/457212145.db2.gz KPJGOMMALGEVCS-MRXNPFEDSA-N 1 0 326.400 3.009 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360921880 457434051 /nfs/dbraw/zinc/43/40/51/457434051.db2.gz XYOHQFDUJPCTNT-GUYCJALGSA-N 1 0 327.384 3.123 10 5 EGBERO Cn1nc2c(c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CCCC2 ZINC000361043827 457538063 /nfs/dbraw/zinc/53/80/63/457538063.db2.gz IJRPIAGFZLJSKX-VURMDHGXSA-N 1 0 326.400 3.010 10 5 EGBERO COc1ccccc1CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361264170 457671743 /nfs/dbraw/zinc/67/17/43/457671743.db2.gz ZEOOSSFKAYFATN-UHFFFAOYSA-N 1 0 340.383 3.154 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000374783240 457705832 /nfs/dbraw/zinc/70/58/32/457705832.db2.gz UJPFPSPPDJOZTJ-MQVJKMGUSA-N 1 0 326.400 3.239 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1C ZINC000411274015 457845659 /nfs/dbraw/zinc/84/56/59/457845659.db2.gz CYRYPHOKUMEVBW-ZDUSSCGKSA-N 1 0 335.404 3.197 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000358262695 457895408 /nfs/dbraw/zinc/89/54/08/457895408.db2.gz ZCQNDXLRYGQPTJ-ZDUSSCGKSA-N 1 0 326.400 3.464 10 5 EGBERO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412042336 458062076 /nfs/dbraw/zinc/06/20/76/458062076.db2.gz UYNIGOSWFPVHMP-UHFFFAOYSA-N 1 0 335.404 3.052 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412054851 458071195 /nfs/dbraw/zinc/07/11/95/458071195.db2.gz NBGUDZYSFQUMSI-IHETXDGRSA-N 1 0 345.443 3.077 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCC(F)(F)C2)n1 ZINC000447579108 458314897 /nfs/dbraw/zinc/31/48/97/458314897.db2.gz JAAXJOVFABKHMZ-FRRDWIJNSA-N 1 0 328.363 3.443 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447723314 458334064 /nfs/dbraw/zinc/33/40/64/458334064.db2.gz OGWZYVPNLBGVHD-MRXNPFEDSA-N 1 0 341.367 3.232 10 5 EGBERO C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc([N+](=O)[O-])c1 ZINC000423533831 458454095 /nfs/dbraw/zinc/45/40/95/458454095.db2.gz YWOHVVJXNVKHPM-SYSJQSPFSA-N 1 0 329.444 3.399 10 5 EGBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000431076224 458524743 /nfs/dbraw/zinc/52/47/43/458524743.db2.gz DKCQEOCCOORJAY-UWLZSVRSSA-N 1 0 331.416 3.399 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431859793 458634853 /nfs/dbraw/zinc/63/48/53/458634853.db2.gz SIEVEWLWUPEIPU-MRXNPFEDSA-N 1 0 345.443 3.350 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@@H]3CC3(F)F)o2)cc1 ZINC000594969957 459200132 /nfs/dbraw/zinc/20/01/32/459200132.db2.gz AJXFLGPARAKYGH-OAHLLOKOSA-N 1 0 338.310 3.369 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595000920 459211340 /nfs/dbraw/zinc/21/13/40/459211340.db2.gz QIZIALFBKMYHRD-HYXAFXHYSA-N 1 0 326.343 3.138 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000595039058 459224473 /nfs/dbraw/zinc/22/44/73/459224473.db2.gz BFXDAHBXVWIKLP-NOZJJQNGSA-N 1 0 336.310 3.221 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000595079683 459239796 /nfs/dbraw/zinc/23/97/96/459239796.db2.gz XUFJSXZSLRNMPN-HUHSQHJXSA-N 1 0 340.427 3.444 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000595078765 459239808 /nfs/dbraw/zinc/23/98/08/459239808.db2.gz ARMMDFIBSFNNNP-QGTPRVQTSA-N 1 0 340.427 3.317 10 5 EGBERO CC1(C)[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1(F)F ZINC000595091857 459241307 /nfs/dbraw/zinc/24/13/07/459241307.db2.gz KARUPQWQMDIOGT-UTUOFQBUSA-N 1 0 328.363 3.156 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595092732 459241717 /nfs/dbraw/zinc/24/17/17/459241717.db2.gz ZVKGGKCQUKDPJW-OXXUSNJHSA-N 1 0 330.428 3.199 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595230341 459259531 /nfs/dbraw/zinc/25/95/31/459259531.db2.gz QACGNVBXKLKXNL-HNNXBMFYSA-N 1 0 346.431 3.147 10 5 EGBERO CSc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595376703 459287316 /nfs/dbraw/zinc/28/73/16/459287316.db2.gz SETCZMVCHVZJKL-CQSZACIVSA-N 1 0 344.440 3.398 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000595739091 459419851 /nfs/dbraw/zinc/41/98/51/459419851.db2.gz SWYGOHREWZEUIZ-KZNAEPCWSA-N 1 0 346.427 3.191 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595820782 459452012 /nfs/dbraw/zinc/45/20/12/459452012.db2.gz WGVFIHGDIMHZCI-MRFVTOPCSA-N 1 0 337.395 3.428 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595818375 459452573 /nfs/dbraw/zinc/45/25/73/459452573.db2.gz HUDSHPMZUWJVOJ-HSBZDZAISA-N 1 0 337.395 3.430 10 5 EGBERO COc1ccc(OCC[NH2+][C@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595821480 459453954 /nfs/dbraw/zinc/45/39/54/459453954.db2.gz ZVFGQZBNODNKNG-IYXRBSQSSA-N 1 0 340.395 3.489 10 5 EGBERO CCOCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131031 459530247 /nfs/dbraw/zinc/53/02/47/459530247.db2.gz QOOGZDORCGQHHG-QAQDUYKDSA-N 1 0 336.432 3.127 10 5 EGBERO CCSCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130314 459530285 /nfs/dbraw/zinc/53/02/85/459530285.db2.gz BHGNJJROUYCXHK-WKILWMFISA-N 1 0 338.473 3.453 10 5 EGBERO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592178419 459543243 /nfs/dbraw/zinc/54/32/43/459543243.db2.gz LCUSKACWRURBGQ-QGZVFWFLSA-N 1 0 334.416 3.046 10 5 EGBERO COc1cc(NCC[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596272274 459580970 /nfs/dbraw/zinc/58/09/70/459580970.db2.gz WFEYLKWGYOQCEL-NSHDSACASA-N 1 0 327.812 3.401 10 5 EGBERO CC(C)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000592396634 459591431 /nfs/dbraw/zinc/59/14/31/459591431.db2.gz HWVIOJJUUWXYQC-HKUYNNGSSA-N 1 0 348.443 3.130 10 5 EGBERO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446542 459600761 /nfs/dbraw/zinc/60/07/61/459600761.db2.gz FQTRSNQEJKQIFX-QAPCUYQASA-N 1 0 346.427 3.011 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592538634 459628889 /nfs/dbraw/zinc/62/88/89/459628889.db2.gz ZDJSFXBSWWZWSQ-HOTGVXAUSA-N 1 0 345.443 3.124 10 5 EGBERO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596451818 459641900 /nfs/dbraw/zinc/64/19/00/459641900.db2.gz CFGDWQYCGHQQPL-ZBFHGGJFSA-N 1 0 348.447 3.090 10 5 EGBERO O=[N+]([O-])c1ccc(-c2cccc(OCC[NH+]3CCC(O)CC3)c2)cc1 ZINC000596637480 459708047 /nfs/dbraw/zinc/70/80/47/459708047.db2.gz WVJLPDMZWMSQJY-UHFFFAOYSA-N 1 0 342.395 3.097 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000596647619 459713985 /nfs/dbraw/zinc/71/39/85/459713985.db2.gz SDDAMHYMABKGKM-UHFFFAOYSA-N 1 0 326.396 3.392 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596786859 459763172 /nfs/dbraw/zinc/76/31/72/459763172.db2.gz AVHAUJRBCLHBEY-CYBMUJFWSA-N 1 0 334.420 3.206 10 5 EGBERO C[C@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)C1O ZINC000597206773 459878187 /nfs/dbraw/zinc/87/81/87/459878187.db2.gz VQDQQRXUXVFERV-STQMWFEESA-N 1 0 330.384 3.304 10 5 EGBERO Cn1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593694858 459954047 /nfs/dbraw/zinc/95/40/47/459954047.db2.gz CKQWPCARKIZODK-INIZCTEOSA-N 1 0 348.353 3.226 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc4nccn43)c2c1 ZINC000575781909 460002831 /nfs/dbraw/zinc/00/28/31/460002831.db2.gz VTAWHCOPTKOIEP-UHFFFAOYSA-N 1 0 335.367 3.056 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609857099 460030586 /nfs/dbraw/zinc/03/05/86/460030586.db2.gz CILVTYGUCZFMRK-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000598993369 460120671 /nfs/dbraw/zinc/12/06/71/460120671.db2.gz KZWMADBWHOWBKN-OAHLLOKOSA-N 1 0 347.440 3.029 10 5 EGBERO O=[N+]([O-])c1c(NCCCOC[C@H]2CCCO2)ccc2cnccc21 ZINC000599019024 460128305 /nfs/dbraw/zinc/12/83/05/460128305.db2.gz ASXOJWXUKSJBTB-CQSZACIVSA-N 1 0 331.372 3.141 10 5 EGBERO C[N@@H+]1CCC[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000599055554 460142944 /nfs/dbraw/zinc/14/29/44/460142944.db2.gz HUDMQHQSVFNKIU-HOCLYGCPSA-N 1 0 326.400 3.064 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599056767 460144095 /nfs/dbraw/zinc/14/40/95/460144095.db2.gz NMKUZNKMALLSBM-ZWNOBZJWSA-N 1 0 328.294 3.246 10 5 EGBERO Cn1c(CNc2ccc3cnccc3c2[N+](=O)[O-])nnc1C1CCC1 ZINC000599065926 460148964 /nfs/dbraw/zinc/14/89/64/460148964.db2.gz NFBWIQCTADTYLO-UHFFFAOYSA-N 1 0 338.371 3.151 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000598038928 460150821 /nfs/dbraw/zinc/15/08/21/460150821.db2.gz HKVNWCGEKOFVFL-SJLPKXTDSA-N 1 0 347.459 3.106 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599085467 460156610 /nfs/dbraw/zinc/15/66/10/460156610.db2.gz ROFKWNPAAGPAOM-XPYUAMARSA-N 1 0 330.428 3.463 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000610830969 460245506 /nfs/dbraw/zinc/24/55/06/460245506.db2.gz RQQPFQXCACKZRD-ZIAGYGMSSA-N 1 0 342.399 3.100 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)c1ccncc1 ZINC000610830951 460245785 /nfs/dbraw/zinc/24/57/85/460245785.db2.gz MNEJSHCCHPGVFA-UONOGXRCSA-N 1 0 342.399 3.100 10 5 EGBERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000610889630 460256747 /nfs/dbraw/zinc/25/67/47/460256747.db2.gz IYTWHLZKOPNRKO-UHFFFAOYSA-N 1 0 340.383 3.146 10 5 EGBERO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229949 460451328 /nfs/dbraw/zinc/45/13/28/460451328.db2.gz YQVUZCBXVODDRB-ZDUSSCGKSA-N 1 0 337.445 3.102 10 5 EGBERO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)O1 ZINC000601150438 460733481 /nfs/dbraw/zinc/73/34/81/460733481.db2.gz ZZKJDXHFOCXNKF-HFAKWTLXSA-N 1 0 333.413 3.374 10 5 EGBERO COc1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601155158 460734836 /nfs/dbraw/zinc/73/48/36/460734836.db2.gz FKBQJFFBXLSPBG-QGZVFWFLSA-N 1 0 334.416 3.432 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000131990188 534887896 /nfs/dbraw/zinc/88/78/96/534887896.db2.gz SONKVVNJRVEMDM-OALUTQOASA-N 1 0 340.423 3.109 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000246559077 535876017 /nfs/dbraw/zinc/87/60/17/535876017.db2.gz MAMFJYYIYRUZCN-OLZOCXBDSA-N 1 0 349.456 3.016 10 5 EGBERO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000735831998 575720557 /nfs/dbraw/zinc/72/05/57/575720557.db2.gz BPKHGIUPFILXHU-HEWZJLJBSA-N 1 0 347.415 3.067 10 5 EGBERO CC[C@@H](C[NH+](C)C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870550486 1295936825 /nfs/dbraw/zinc/93/68/25/1295936825.db2.gz GQWYDZCRPYEYQZ-ZDUSSCGKSA-N 1 0 349.412 3.215 10 5 EGBERO CN(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000227760548 1296147500 /nfs/dbraw/zinc/14/75/00/1296147500.db2.gz DOAJIXBCIMRQRW-UHFFFAOYSA-N 1 0 343.811 3.205 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871359852 1296368376 /nfs/dbraw/zinc/36/83/76/1296368376.db2.gz XCBAUWRFZUMJLS-BUHFOSPRSA-N 1 0 345.443 3.377 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023777 1296665989 /nfs/dbraw/zinc/66/59/89/1296665989.db2.gz KLXVVSDYGOUBMM-XHDPSFHLSA-N 1 0 334.347 3.127 10 5 EGBERO CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCOC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000872113668 1296739652 /nfs/dbraw/zinc/73/96/52/1296739652.db2.gz QLJRXSVCKJMYFT-WBMJQRKESA-N 1 0 332.400 3.250 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000872247757 1296847842 /nfs/dbraw/zinc/84/78/42/1296847842.db2.gz NCCGRHNFXOZXDJ-LBPRGKRZSA-N 1 0 346.330 3.498 10 5 EGBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000893026458 1305666067 /nfs/dbraw/zinc/66/60/67/1305666067.db2.gz NJSPDYYSFIAXNX-CHWSQXEVSA-N 1 0 337.395 3.069 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1Cl ZINC000895748652 1309503282 /nfs/dbraw/zinc/50/32/82/1309503282.db2.gz IQDBNIVYLGRTOA-ZDUSSCGKSA-N 1 0 338.766 3.081 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCc4cn[nH]c43)c2c1 ZINC000857867995 1328609822 /nfs/dbraw/zinc/60/98/22/1328609822.db2.gz MWBKRRWFFJCPHQ-MRXNPFEDSA-N 1 0 325.372 3.009 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000858329015 1328738936 /nfs/dbraw/zinc/73/89/36/1328738936.db2.gz JXRRCWYWBZTMFU-CQSZACIVSA-N 1 0 335.404 3.002 10 5 EGBERO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858445111 1328764217 /nfs/dbraw/zinc/76/42/17/1328764217.db2.gz AOYFLTDDOMUWQG-UHFFFAOYSA-N 1 0 329.400 3.208 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930440498 1328854742 /nfs/dbraw/zinc/85/47/42/1328854742.db2.gz NPNUGJZZEQNIMH-TZMCWYRMSA-N 1 0 332.322 3.179 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1nc(CN(C)C)cs1 ZINC000922489358 1322541135 /nfs/dbraw/zinc/54/11/35/1322541135.db2.gz GQYWDMXKYHUJGP-QPEQYQDCSA-N 1 0 346.456 3.306 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000922873759 1322637488 /nfs/dbraw/zinc/63/74/88/1322637488.db2.gz CKVOURXYNVIYRC-QPUCGGRFSA-N 1 0 332.400 3.270 10 5 EGBERO COc1ccc(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000859644758 1329043379 /nfs/dbraw/zinc/04/33/79/1329043379.db2.gz QVMPRXBHVAMSJG-MRXNPFEDSA-N 1 0 348.374 3.301 10 5 EGBERO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763212 1325291153 /nfs/dbraw/zinc/29/11/53/1325291153.db2.gz QYZSLBBNQJNGRR-STQMWFEESA-N 1 0 342.237 3.107 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000927014129 1327821137 /nfs/dbraw/zinc/82/11/37/1327821137.db2.gz NNPBKXGMKSKZBK-CABCVRRESA-N 1 0 334.416 3.282 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000863586292 1329564809 /nfs/dbraw/zinc/56/48/09/1329564809.db2.gz XVSCCEPBORLMDC-CYBMUJFWSA-N 1 0 332.322 3.341 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCCS1 ZINC000866477689 1330117014 /nfs/dbraw/zinc/11/70/14/1330117014.db2.gz ALPQIXFVEJHDLI-WFASDCNBSA-N 1 0 337.445 3.187 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866532831 1330122979 /nfs/dbraw/zinc/12/29/79/1330122979.db2.gz MRTTUTBCJDBBRN-SJORKVTESA-N 1 0 334.416 3.221 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000866612875 1330132817 /nfs/dbraw/zinc/13/28/17/1330132817.db2.gz CRYMAHROUUOJAO-DZKIICNBSA-N 1 0 328.416 3.390 10 5 EGBERO Cc1cc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc([N+](=O)[O-])c1 ZINC000867990746 1330237973 /nfs/dbraw/zinc/23/79/73/1330237973.db2.gz ZLAGKWXZEYIRQY-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001323325649 1387338594 /nfs/dbraw/zinc/33/85/94/1387338594.db2.gz YDCZLAUKGCSKOY-LSDHHAIUSA-N 1 0 347.394 3.116 10 5 EGBERO CC(C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001184831063 1387545817 /nfs/dbraw/zinc/54/58/17/1387545817.db2.gz PXJOQBWLDLBQGZ-CQSZACIVSA-N 1 0 340.855 3.234 10 5 EGBERO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001185528080 1387739861 /nfs/dbraw/zinc/73/98/61/1387739861.db2.gz SKQHZCBHSCCDKH-HNNXBMFYSA-N 1 0 332.448 3.179 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001192451836 1367785703 /nfs/dbraw/zinc/78/57/03/1367785703.db2.gz CYROJUOLVRNLHH-JKSUJKDBSA-N 1 0 348.374 3.215 10 5 EGBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195307714 1368418018 /nfs/dbraw/zinc/41/80/18/1368418018.db2.gz VUQRFRQAIYUMFW-DZGCQCFKSA-N 1 0 331.416 3.434 10 5 EGBERO O=C(CN1CCC[C@@H](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197201800 1368763187 /nfs/dbraw/zinc/76/31/87/1368763187.db2.gz IWAQMTIQHZBSGX-OAHLLOKOSA-N 1 0 331.416 3.436 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC001127595162 1373145116 /nfs/dbraw/zinc/14/51/16/1373145116.db2.gz OWHHFSLATMFJRG-NEPJUHHUSA-N 1 0 339.823 3.111 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1ccsc1 ZINC001326788211 1388310909 /nfs/dbraw/zinc/31/09/09/1388310909.db2.gz PGXRBLNXXNCAFQ-UHFFFAOYSA-N 1 0 345.424 3.099 10 5 EGBERO CC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164352190 1383179993 /nfs/dbraw/zinc/17/99/93/1383179993.db2.gz ZKELURWOONKYKI-SJLPKXTDSA-N 1 0 345.443 3.497 10 5 EGBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001298190595 1383380266 /nfs/dbraw/zinc/38/02/66/1383380266.db2.gz AATRLKGAVMMAAJ-CXAGYDPISA-N 1 0 346.431 3.371 10 5 EGBERO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397395 1383622916 /nfs/dbraw/zinc/62/29/16/1383622916.db2.gz NKXIYGHEVLPABC-RDJZCZTQSA-N 1 0 343.427 3.281 10 5 EGBERO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001306831204 1383907852 /nfs/dbraw/zinc/90/78/52/1383907852.db2.gz OQMJCJLSABUELC-UHFFFAOYSA-N 1 0 345.443 3.371 10 5 EGBERO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC001307669798 1384011037 /nfs/dbraw/zinc/01/10/37/1384011037.db2.gz ZLSURKMBJPLDSP-ZDUSSCGKSA-N 1 0 331.210 3.118 10 5 EGBERO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001307486064 1383997213 /nfs/dbraw/zinc/99/72/13/1383997213.db2.gz DTMLTZUWBVOLKS-HOTGVXAUSA-N 1 0 349.431 3.059 10 5 EGBERO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001307545787 1383999280 /nfs/dbraw/zinc/99/92/80/1383999280.db2.gz YJEASHMRIAMPKZ-IAGOWNOFSA-N 1 0 336.432 3.499 10 5 EGBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC001308150789 1384101183 /nfs/dbraw/zinc/10/11/83/1384101183.db2.gz JMMANLYZFDZOER-FUHWJXTLSA-N 1 0 335.423 3.429 10 5 EGBERO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308148244 1384101299 /nfs/dbraw/zinc/10/12/99/1384101299.db2.gz ABPRKEPXKNGNRM-MRXNPFEDSA-N 1 0 327.384 3.293 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC001308147711 1384101398 /nfs/dbraw/zinc/10/13/98/1384101398.db2.gz GNUPNGKNHLJLTM-CRAIPNDOSA-N 1 0 346.814 3.284 10 5 EGBERO COc1cc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])cc1F ZINC001308168457 1384104619 /nfs/dbraw/zinc/10/46/19/1384104619.db2.gz JVVBOMQCVZXEEE-IAGOWNOFSA-N 1 0 338.379 3.134 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCOCC23CCCC3)cc1 ZINC001308167635 1384104688 /nfs/dbraw/zinc/10/46/88/1384104688.db2.gz XUOJHDRMDKJQJL-QGZVFWFLSA-N 1 0 334.416 3.303 10 5 EGBERO CC(C)[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)O ZINC001170104972 1384236541 /nfs/dbraw/zinc/23/65/41/1384236541.db2.gz KQHJTEPBMIHDIE-RISCZKNCSA-N 1 0 348.403 3.091 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001317112384 1384873707 /nfs/dbraw/zinc/87/37/07/1384873707.db2.gz JREWKOXDCNCCLB-GASCZTMLSA-N 1 0 333.432 3.158 10 5 EGBERO Cc1cc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC001345488174 1390862164 /nfs/dbraw/zinc/86/21/64/1390862164.db2.gz FLPZVQJMDRWVQZ-UHFFFAOYSA-N 1 0 346.431 3.432 10 5 EGBERO CC1(C)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(C)(C)[NH2+]1 ZINC001351005688 1391579397 /nfs/dbraw/zinc/57/93/97/1391579397.db2.gz MXZPWBINRJQJLN-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO C[N@H+](CCCNC(=O)C1=CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001689798666 1404141182 /nfs/dbraw/zinc/14/11/82/1404141182.db2.gz OTMSBYIZDLWWAD-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1sccc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001699256057 1412599949 /nfs/dbraw/zinc/59/99/49/1412599949.db2.gz YHGROTAREDJULO-IHWYPQMZSA-N 1 0 345.424 3.041 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1sccc1C ZINC001732758977 1428952645 /nfs/dbraw/zinc/95/26/45/1428952645.db2.gz DGZOLPFZZXSPRG-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC1(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001713158488 1417735093 /nfs/dbraw/zinc/73/50/93/1417735093.db2.gz TTXLEFZCOOXHCD-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001713957305 1418738878 /nfs/dbraw/zinc/73/88/78/1418738878.db2.gz YWZVAERVTWUYEF-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CC(C)(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001715308026 1420017432 /nfs/dbraw/zinc/01/74/32/1420017432.db2.gz QUSDRANEGDDAQT-UHFFFAOYSA-N 1 0 339.461 3.221 10 5 EGBERO CC1(CC(=O)NC2(C)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001724013624 1424627367 /nfs/dbraw/zinc/62/73/67/1424627367.db2.gz UUQZKEUCPCLDQX-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC1(CC(=O)NC2(C)CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001724013406 1424627428 /nfs/dbraw/zinc/62/74/28/1424627428.db2.gz MZBUFPYYPTWPOR-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC(C)C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001724606401 1424941382 /nfs/dbraw/zinc/94/13/82/1424941382.db2.gz DVETUFIJEFIKSG-WKILWMFISA-N 1 0 347.459 3.263 10 5 EGBERO Cc1coc(C)c1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001731239474 1427196873 /nfs/dbraw/zinc/19/68/73/1427196873.db2.gz VWOTWFLQBTVOSM-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181525805 529619785 /nfs/dbraw/zinc/61/97/85/529619785.db2.gz QASZLARMMQTTDN-RDJZCZTQSA-N 1 0 348.374 3.215 10 5 EGBERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000180934074 529670515 /nfs/dbraw/zinc/67/05/15/529670515.db2.gz YSUQGQZSBQWYKF-RDJZCZTQSA-N 1 0 341.415 3.095 10 5 EGBERO CCC[C@@H](O)C[NH2+][C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000036160149 213073704 /nfs/dbraw/zinc/07/37/04/213073704.db2.gz RTOSXIYEIGYXPT-CABCVRRESA-N 1 0 348.403 3.093 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000172169021 144016368 /nfs/dbraw/zinc/01/63/68/144016368.db2.gz GNKCNCVTMPWHAG-RYUDHWBXSA-N 1 0 335.404 3.099 10 5 EGBERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178639845 144073713 /nfs/dbraw/zinc/07/37/13/144073713.db2.gz DIRCXIBJVGHPTO-LRDDRELGSA-N 1 0 325.368 3.371 10 5 EGBERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000336876880 154227682 /nfs/dbraw/zinc/22/76/82/154227682.db2.gz VQAVMHQTMVFSEC-CQSZACIVSA-N 1 0 326.400 3.309 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])s3)cccc21 ZINC000345520775 156133612 /nfs/dbraw/zinc/13/36/12/156133612.db2.gz KFDSDRWRVWABIF-GFCCVEGCSA-N 1 0 347.396 3.294 10 5 EGBERO COc1cc(C[N@H+](C)Cc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000344096358 164102068 /nfs/dbraw/zinc/10/20/68/164102068.db2.gz BGWAXKKUFVUUEX-UHFFFAOYSA-N 1 0 329.400 3.301 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344266565 164141413 /nfs/dbraw/zinc/14/14/13/164141413.db2.gz KKVINWHRKUJPOG-CYBMUJFWSA-N 1 0 346.383 3.380 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000345933198 164298927 /nfs/dbraw/zinc/29/89/27/164298927.db2.gz BLTRMTLKDMCKDC-UHFFFAOYSA-N 1 0 339.461 3.383 10 5 EGBERO CCC[N@H+](CC)CCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176403967 265176394 /nfs/dbraw/zinc/17/63/94/265176394.db2.gz AJQRVACDYPMEOJ-INIZCTEOSA-N 1 0 336.436 3.077 10 5 EGBERO Cn1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189735195 275220360 /nfs/dbraw/zinc/22/03/60/275220360.db2.gz USKCTMMGZZJEPX-MRXNPFEDSA-N 1 0 344.415 3.043 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000277500222 275254589 /nfs/dbraw/zinc/25/45/89/275254589.db2.gz PARGUYJZSKQJRL-UHFFFAOYSA-N 1 0 344.692 3.255 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279772059 275358267 /nfs/dbraw/zinc/35/82/67/275358267.db2.gz SKRPUUSTXRLHQQ-UKRRQHHQSA-N 1 0 349.431 3.330 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000282444579 275635225 /nfs/dbraw/zinc/63/52/25/275635225.db2.gz NHLQBKXGXKLGCM-DOMZBBRYSA-N 1 0 344.415 3.455 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000282499399 275640758 /nfs/dbraw/zinc/64/07/58/275640758.db2.gz WONFIQMSRAXIAY-IBGZPJMESA-N 1 0 326.396 3.217 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000289394468 276332564 /nfs/dbraw/zinc/33/25/64/276332564.db2.gz MYLXACIKVHVDMO-WMZOPIPTSA-N 1 0 329.375 3.269 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000289723535 276383710 /nfs/dbraw/zinc/38/37/10/276383710.db2.gz IJYQFVUXLLVAIY-DYVFJYSZSA-N 1 0 348.447 3.351 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000362659843 277173683 /nfs/dbraw/zinc/17/36/83/277173683.db2.gz XYZQDYGZMNWOTG-RDJZCZTQSA-N 1 0 337.383 3.328 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000184480492 280400741 /nfs/dbraw/zinc/40/07/41/280400741.db2.gz QOZMENNSKYMXBN-HNNXBMFYSA-N 1 0 346.431 3.304 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 ZINC000296151603 308398619 /nfs/dbraw/zinc/39/86/19/308398619.db2.gz VYFGNYXSCPAUGD-LBPRGKRZSA-N 1 0 344.367 3.225 10 5 EGBERO COc1ccc(-c2ccc(CN[C@@H]3CCCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415064049 309117719 /nfs/dbraw/zinc/11/77/19/309117719.db2.gz BNUXSUCXKKZFIA-CYBMUJFWSA-N 1 0 345.399 3.095 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000415760477 309143357 /nfs/dbraw/zinc/14/33/57/309143357.db2.gz KBFAFKHSWOPSFN-UHFFFAOYSA-N 1 0 334.420 3.330 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC4(CC[NH2+]4)CC3)o2)c1 ZINC000422564307 309361752 /nfs/dbraw/zinc/36/17/52/309361752.db2.gz VPNAQESYSVSOLW-UHFFFAOYSA-N 1 0 327.384 3.183 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)C1CC1 ZINC000433067907 309677729 /nfs/dbraw/zinc/67/77/29/309677729.db2.gz MVYQCFDBSFSCBK-KRWDZBQOSA-N 1 0 344.455 3.448 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COc3ccccc3O1)CCC2 ZINC000447514515 309980448 /nfs/dbraw/zinc/98/04/48/309980448.db2.gz FUBWUWOJKZYYEJ-NVXWUHKLSA-N 1 0 340.379 3.402 10 5 EGBERO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450859006 310146199 /nfs/dbraw/zinc/14/61/99/310146199.db2.gz LMVBQHLFVCIAPC-XYPHTWIQSA-N 1 0 332.400 3.041 10 5 EGBERO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450859000 310146244 /nfs/dbraw/zinc/14/62/44/310146244.db2.gz LMVBQHLFVCIAPC-IAOVAPTHSA-N 1 0 332.400 3.041 10 5 EGBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCCC2 ZINC000450962674 310152330 /nfs/dbraw/zinc/15/23/30/310152330.db2.gz CIDGFQJYJNCHMP-SJORKVTESA-N 1 0 334.416 3.431 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@]4(CCOC4)C3)co2)cc1 ZINC000451914328 310203465 /nfs/dbraw/zinc/20/34/65/310203465.db2.gz ZTZFVLGXCYBLCJ-SFHVURJKSA-N 1 0 343.383 3.252 10 5 EGBERO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488410767 311064230 /nfs/dbraw/zinc/06/42/30/311064230.db2.gz LYQFUKIPEJTBJW-HOTGVXAUSA-N 1 0 336.432 3.235 10 5 EGBERO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000551748876 315166347 /nfs/dbraw/zinc/16/63/47/315166347.db2.gz FIFYMAHIGAAFMA-SWLSCSKDSA-N 1 0 348.424 3.166 10 5 EGBERO COC(=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000572409453 317334613 /nfs/dbraw/zinc/33/46/13/317334613.db2.gz OADULOCGBXTCFB-GQCTYLIASA-N 1 0 326.352 3.184 10 5 EGBERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183225951 323602254 /nfs/dbraw/zinc/60/22/54/323602254.db2.gz DFPFGOGWVXPQAK-SFHVURJKSA-N 1 0 341.411 3.060 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000578771016 325016857 /nfs/dbraw/zinc/01/68/57/325016857.db2.gz CGJBTHGWVIAKRN-DZXKJOIRSA-N 1 0 334.441 3.206 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000579805336 325160867 /nfs/dbraw/zinc/16/08/67/325160867.db2.gz KNNQSNKGOYLUSV-QGZVFWFLSA-N 1 0 334.416 3.261 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)Cc3ccccc3C1)CCC2 ZINC000580154056 325209033 /nfs/dbraw/zinc/20/90/33/325209033.db2.gz IBVXKBXPLVFONZ-IBGZPJMESA-N 1 0 338.407 3.092 10 5 EGBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000582673652 325460811 /nfs/dbraw/zinc/46/08/11/325460811.db2.gz UDFYIRDQBDMZKK-GFCCVEGCSA-N 1 0 349.353 3.118 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000426798766 457905249 /nfs/dbraw/zinc/90/52/49/457905249.db2.gz JFGCCUMRQKDYPB-NSHDSACASA-N 1 0 327.812 3.015 10 5 EGBERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000009992153 453270353 /nfs/dbraw/zinc/27/03/53/453270353.db2.gz OZNFHWUUUMCLCY-UHFFFAOYSA-N 1 0 345.424 3.182 10 5 EGBERO CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000030272987 453834645 /nfs/dbraw/zinc/83/46/45/453834645.db2.gz ODGOVXVSXYYTLM-AWEZNQCLSA-N 1 0 333.432 3.235 10 5 EGBERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000030551538 453836577 /nfs/dbraw/zinc/83/65/77/453836577.db2.gz SATMGWILSFRFOH-UHFFFAOYSA-N 1 0 343.383 3.104 10 5 EGBERO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075675297 453916284 /nfs/dbraw/zinc/91/62/84/453916284.db2.gz QWDFZDKDEWEMCH-AWEZNQCLSA-N 1 0 333.432 3.236 10 5 EGBERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130246202 454184563 /nfs/dbraw/zinc/18/45/63/454184563.db2.gz ZJJFJIHLZJGIPU-CYBMUJFWSA-N 1 0 346.431 3.316 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000060889717 454318655 /nfs/dbraw/zinc/31/86/55/454318655.db2.gz OHLMTNIAHJQJBP-ZDUSSCGKSA-N 1 0 349.431 3.443 10 5 EGBERO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000120601685 454324782 /nfs/dbraw/zinc/32/47/82/454324782.db2.gz QQDZCKJYCQLPES-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO CC[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090603156 454326600 /nfs/dbraw/zinc/32/66/00/454326600.db2.gz NJNKMSVRIKXMHE-UXLLHSPISA-N 1 0 348.447 3.218 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000132758218 454363410 /nfs/dbraw/zinc/36/34/10/454363410.db2.gz UCILRXWHBXSHHR-ROUUACIJSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000079080514 454365238 /nfs/dbraw/zinc/36/52/38/454365238.db2.gz RBEOJFDDZUWWIF-UHFFFAOYSA-N 1 0 326.400 3.057 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000102698966 454517699 /nfs/dbraw/zinc/51/76/99/454517699.db2.gz IIQUTFRFBBIMIJ-NSHDSACASA-N 1 0 347.346 3.032 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000065201826 454537992 /nfs/dbraw/zinc/53/79/92/454537992.db2.gz ZXLJBJGGBBBHAE-INIZCTEOSA-N 1 0 326.400 3.456 10 5 EGBERO CC(C)C[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000065961818 454645446 /nfs/dbraw/zinc/64/54/46/454645446.db2.gz VUFXTGFKVXNKJP-UHFFFAOYSA-N 1 0 348.428 3.245 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106213340 454687000 /nfs/dbraw/zinc/68/70/00/454687000.db2.gz GGAWDELKUXZGQI-INIZCTEOSA-N 1 0 344.415 3.070 10 5 EGBERO CC(C)c1csc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176263007 454719594 /nfs/dbraw/zinc/71/95/94/454719594.db2.gz KNEJQJHVPKORKL-CYBMUJFWSA-N 1 0 349.460 3.251 10 5 EGBERO COc1cc2c(cc1OC)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000138770526 454796866 /nfs/dbraw/zinc/79/68/66/454796866.db2.gz VNDYCKPQLNYOCJ-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000178951599 454992439 /nfs/dbraw/zinc/99/24/39/454992439.db2.gz DSVPRNJQORMTKS-INIZCTEOSA-N 1 0 347.440 3.184 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181537322 455351042 /nfs/dbraw/zinc/35/10/42/455351042.db2.gz VFNZQRKLTGNHDM-SFHVURJKSA-N 1 0 341.411 3.260 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181537627 455352577 /nfs/dbraw/zinc/35/25/77/455352577.db2.gz BCOQFTYTZPKWHW-OAHLLOKOSA-N 1 0 331.347 3.413 10 5 EGBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184673110 455424580 /nfs/dbraw/zinc/42/45/80/455424580.db2.gz JSFXEPIQQPOEKE-DIOBLVDRSA-N 1 0 343.427 3.083 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235689 455576837 /nfs/dbraw/zinc/57/68/37/455576837.db2.gz SMPYPVLCMPJDRU-SWLSCSKDSA-N 1 0 325.840 3.410 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247275482 455581601 /nfs/dbraw/zinc/58/16/01/455581601.db2.gz FRMINEZHGVXYSO-XHDPSFHLSA-N 1 0 339.823 3.051 10 5 EGBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000268172849 455609892 /nfs/dbraw/zinc/60/98/92/455609892.db2.gz PYAFGJWUFKBWFK-CQSZACIVSA-N 1 0 333.432 3.059 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)CCC2 ZINC000192654529 455662500 /nfs/dbraw/zinc/66/25/00/455662500.db2.gz MAVOBFBHKHHZRT-SFHVURJKSA-N 1 0 349.394 3.343 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192675444 455667043 /nfs/dbraw/zinc/66/70/43/455667043.db2.gz UYSPMLYQEBVRCM-QWRGUYRKSA-N 1 0 349.412 3.343 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248832769 455733241 /nfs/dbraw/zinc/73/32/41/455733241.db2.gz MSEFHJACZFAZOS-QAPCUYQASA-N 1 0 339.395 3.078 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000248890737 455737395 /nfs/dbraw/zinc/73/73/95/455737395.db2.gz SPMSRFWLEPXQGL-DNVCBOLYSA-N 1 0 344.411 3.165 10 5 EGBERO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000285903183 455939494 /nfs/dbraw/zinc/93/94/94/455939494.db2.gz BKKSVVMVQDWUDK-RYUDHWBXSA-N 1 0 341.367 3.338 10 5 EGBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000296816166 456044616 /nfs/dbraw/zinc/04/46/16/456044616.db2.gz CZQJQONOAIUQQK-UHFFFAOYSA-N 1 0 343.383 3.088 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000301455752 456119974 /nfs/dbraw/zinc/11/99/74/456119974.db2.gz BTFBQDHUXKYEPV-ZDUSSCGKSA-N 1 0 337.395 3.419 10 5 EGBERO CC1CC[NH+](C[C@@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601110086 460714864 /nfs/dbraw/zinc/71/48/64/460714864.db2.gz YWWROJMWOROADH-AWEZNQCLSA-N 1 0 336.411 3.077 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301927821 456253145 /nfs/dbraw/zinc/25/31/45/456253145.db2.gz KNMHYMJBVDBMKK-RYUDHWBXSA-N 1 0 325.384 3.275 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967903 456260755 /nfs/dbraw/zinc/26/07/55/456260755.db2.gz XCQHBWXENIPALS-YPMHNXCESA-N 1 0 341.358 3.259 10 5 EGBERO C[C@@H]1C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302028734 456271854 /nfs/dbraw/zinc/27/18/54/456271854.db2.gz JCGACFZYHDAAGJ-RHSMWYFYSA-N 1 0 341.411 3.162 10 5 EGBERO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352778449 456298967 /nfs/dbraw/zinc/29/89/67/456298967.db2.gz KYJSAXIEGNWLMK-GOSISDBHSA-N 1 0 341.411 3.092 10 5 EGBERO C[C@@]1(CNc2ncccc2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000302414888 456340620 /nfs/dbraw/zinc/34/06/20/456340620.db2.gz LZTTYQMHYRXGKO-SFHVURJKSA-N 1 0 326.400 3.456 10 5 EGBERO Cc1cccc2[nH]c(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)cc21 ZINC000601148606 460730807 /nfs/dbraw/zinc/73/08/07/460730807.db2.gz FFIZGVLTNYJKHY-LJQANCHMSA-N 1 0 339.395 3.382 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H](O)C(F)F)s1 ZINC000601147408 460731044 /nfs/dbraw/zinc/73/10/44/460731044.db2.gz MRPWYTLMMVUGOK-CYBMUJFWSA-N 1 0 342.367 3.429 10 5 EGBERO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCC[NH+]1CCOCC1 ZINC000302717111 456382372 /nfs/dbraw/zinc/38/23/72/456382372.db2.gz YNYZKRQMZQUSAV-UHFFFAOYSA-N 1 0 327.812 3.081 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340535264 456517146 /nfs/dbraw/zinc/51/71/46/456517146.db2.gz SSYCUOLSIJYHNI-FJIDUMEYSA-N 1 0 344.415 3.251 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)co2)cc1 ZINC000340691996 456629015 /nfs/dbraw/zinc/62/90/15/456629015.db2.gz PHIDOZFMDBQPKR-YOEHRIQHSA-N 1 0 343.383 3.251 10 5 EGBERO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301226210 456826589 /nfs/dbraw/zinc/82/65/89/456826589.db2.gz GPONNADGCAUPLB-CYBMUJFWSA-N 1 0 341.415 3.255 10 5 EGBERO COc1cccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000344968952 456881530 /nfs/dbraw/zinc/88/15/30/456881530.db2.gz MTSDKMDZCAPXSW-UHFFFAOYSA-N 1 0 329.400 3.454 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)o1 ZINC000349284919 456931791 /nfs/dbraw/zinc/93/17/91/456931791.db2.gz SLGJFHGYKCONEF-AWEZNQCLSA-N 1 0 344.289 3.258 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000361013226 457511817 /nfs/dbraw/zinc/51/18/17/457511817.db2.gz RRCQQCBUJZFBOU-LBPRGKRZSA-N 1 0 332.791 3.418 10 5 EGBERO Cc1c(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000364775923 457691034 /nfs/dbraw/zinc/69/10/34/457691034.db2.gz YXGCMIXVGZCKDU-GFCCVEGCSA-N 1 0 342.399 3.493 10 5 EGBERO CC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358164041 457828077 /nfs/dbraw/zinc/82/80/77/457828077.db2.gz MMLGZUZJUHLYAU-CZUORRHYSA-N 1 0 336.436 3.074 10 5 EGBERO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC(C)(C)C1 ZINC000412045972 458063990 /nfs/dbraw/zinc/06/39/90/458063990.db2.gz ZWNAYMSVTYUDNF-UHFFFAOYSA-N 1 0 349.431 3.443 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000495261509 458821911 /nfs/dbraw/zinc/82/19/11/458821911.db2.gz YMHYBPQNLCFZNV-KSSFIOAISA-N 1 0 336.432 3.365 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457171039 458889062 /nfs/dbraw/zinc/88/90/62/458889062.db2.gz RJKJBWZJFNINDB-UHFFFAOYSA-N 1 0 339.823 3.161 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000567491966 459115889 /nfs/dbraw/zinc/11/58/89/459115889.db2.gz HQKUNBWCFBTZAK-LJQANCHMSA-N 1 0 345.443 3.108 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000594709789 459136146 /nfs/dbraw/zinc/13/61/46/459136146.db2.gz HXQSWONHPGVCJH-ZDUSSCGKSA-N 1 0 327.384 3.082 10 5 EGBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590692434 459185138 /nfs/dbraw/zinc/18/51/38/459185138.db2.gz VLCKQSQZGHUYRE-OAHLLOKOSA-N 1 0 326.400 3.091 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000594954402 459190765 /nfs/dbraw/zinc/19/07/65/459190765.db2.gz ZNMVZKWGVDGFNM-UHFFFAOYSA-N 1 0 326.278 3.002 10 5 EGBERO COc1ccc(-c2ccc(CNC3CC([NH+](C)C)C3)o2)c([N+](=O)[O-])c1 ZINC000522014369 459203655 /nfs/dbraw/zinc/20/36/55/459203655.db2.gz OTOFGJFIDAPMOG-UHFFFAOYSA-N 1 0 345.399 3.046 10 5 EGBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000594978524 459203923 /nfs/dbraw/zinc/20/39/23/459203923.db2.gz DFCRAABKNPFERD-DYVFJYSZSA-N 1 0 348.834 3.483 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000595006337 459212855 /nfs/dbraw/zinc/21/28/55/459212855.db2.gz IYYBCSKFEXCDCQ-OCCSQVGLSA-N 1 0 344.367 3.094 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595059646 459230056 /nfs/dbraw/zinc/23/00/56/459230056.db2.gz FXIRXJFZDAVZFY-XLNGHYISSA-N 1 0 336.432 3.120 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595063349 459233302 /nfs/dbraw/zinc/23/33/02/459233302.db2.gz QMDPJYMSFMFVHX-QNDJGXFYSA-N 1 0 348.443 3.128 10 5 EGBERO CCC[C@H]([NH2+][C@@H](COC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000595075608 459238229 /nfs/dbraw/zinc/23/82/29/459238229.db2.gz ZPGJNGWNCMDNAI-ROUUACIJSA-N 1 0 336.432 3.467 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000595080577 459239265 /nfs/dbraw/zinc/23/92/65/459239265.db2.gz NCKICMHTRRMBKJ-XHDPSFHLSA-N 1 0 341.358 3.337 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000595081656 459240034 /nfs/dbraw/zinc/24/00/34/459240034.db2.gz UERGQHVQMPAHLE-IAQYHMDHSA-N 1 0 341.358 3.337 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595092560 459241690 /nfs/dbraw/zinc/24/16/90/459241690.db2.gz KUDFJIWADFGODL-GXFFZTMASA-N 1 0 341.358 3.193 10 5 EGBERO Cc1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1C ZINC000559857441 459281355 /nfs/dbraw/zinc/28/13/55/459281355.db2.gz PLQSLJVCNQVOCG-LBPRGKRZSA-N 1 0 327.388 3.011 10 5 EGBERO O=[N+]([O-])c1cc(C[NH+]2CCC(C3CCC3)CC2)c2c(c1)COCO2 ZINC000595658671 459386482 /nfs/dbraw/zinc/38/64/82/459386482.db2.gz GYTLPPXOYGDOLH-UHFFFAOYSA-N 1 0 332.400 3.473 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000595732732 459417485 /nfs/dbraw/zinc/41/74/85/459417485.db2.gz HXVFLBCGDAWTKV-BBWFWOEESA-N 1 0 332.400 3.149 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755734 459427637 /nfs/dbraw/zinc/42/76/37/459427637.db2.gz PDDABGTZFQRYIN-AWEZNQCLSA-N 1 0 337.395 3.303 10 5 EGBERO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000591754033 459429369 /nfs/dbraw/zinc/42/93/69/459429369.db2.gz WWIVXPRSKFXOER-INIZCTEOSA-N 1 0 349.431 3.108 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595819301 459452610 /nfs/dbraw/zinc/45/26/10/459452610.db2.gz NSVZIPDLZQJOJL-IYXRBSQSSA-N 1 0 337.395 3.348 10 5 EGBERO COCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130332 459530116 /nfs/dbraw/zinc/53/01/16/459530116.db2.gz CFUQWGNUKHGCTB-QAQDUYKDSA-N 1 0 336.432 3.127 10 5 EGBERO COc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134980 459532266 /nfs/dbraw/zinc/53/22/66/459532266.db2.gz QSWJXZYIYWPARD-GFCCVEGCSA-N 1 0 339.823 3.179 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592197677 459547537 /nfs/dbraw/zinc/54/75/37/459547537.db2.gz HFDGSRXMWGWNRM-MRXNPFEDSA-N 1 0 347.415 3.197 10 5 EGBERO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000596258195 459576892 /nfs/dbraw/zinc/57/68/92/459576892.db2.gz XABQAAUSFZJJKH-FGWVZKOKSA-N 1 0 325.796 3.294 10 5 EGBERO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CC=CCC1 ZINC000543173106 459630634 /nfs/dbraw/zinc/63/06/34/459630634.db2.gz MXLMLDJPFXJECC-ZDUSSCGKSA-N 1 0 328.372 3.433 10 5 EGBERO CCc1nccn1[C@@H](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000592799252 459692093 /nfs/dbraw/zinc/69/20/93/459692093.db2.gz ZWFSPZCZWWHBCY-AWEZNQCLSA-N 1 0 344.415 3.006 10 5 EGBERO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029719 459746203 /nfs/dbraw/zinc/74/62/03/459746203.db2.gz ZCZTWBTZKCMBQF-HIFRSBDPSA-N 1 0 338.429 3.145 10 5 EGBERO COc1ccc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000593040255 459751702 /nfs/dbraw/zinc/75/17/02/459751702.db2.gz DZMAWRFNQFKOGF-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593204073 459807879 /nfs/dbraw/zinc/80/78/79/459807879.db2.gz RNFNBSBRVVYKSZ-UHFFFAOYSA-N 1 0 335.448 3.228 10 5 EGBERO O=[N+]([O-])c1ccc(CN(Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000596979204 459808598 /nfs/dbraw/zinc/80/85/98/459808598.db2.gz ISLIKJMPKYCTMX-UHFFFAOYSA-N 1 0 349.394 3.340 10 5 EGBERO Cn1ncc(C2CCC2)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597122608 459844219 /nfs/dbraw/zinc/84/42/19/459844219.db2.gz ZYZRHLKIURVBEM-UHFFFAOYSA-N 1 0 328.416 3.270 10 5 EGBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnn4c3CCC4)C2)cc1 ZINC000597137347 459850519 /nfs/dbraw/zinc/85/05/19/459850519.db2.gz FWFHKUYCJPSNGM-HNNXBMFYSA-N 1 0 326.400 3.117 10 5 EGBERO COc1ccccc1CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609194967 459921680 /nfs/dbraw/zinc/92/16/80/459921680.db2.gz VHLJDAVBKBWDCG-UHFFFAOYSA-N 1 0 330.384 3.157 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593716964 459961317 /nfs/dbraw/zinc/96/13/17/459961317.db2.gz WGFBIGMJOCGHSJ-FOIQADDNSA-N 1 0 340.423 3.430 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609503673 459971624 /nfs/dbraw/zinc/97/16/24/459971624.db2.gz HVAPFFNCGJMXTK-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO C[NH2+]Cc1ccccc1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000593759450 459976512 /nfs/dbraw/zinc/97/65/12/459976512.db2.gz LMDQOINDJUXPFF-UHFFFAOYSA-N 1 0 342.399 3.253 10 5 EGBERO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1Br ZINC000602550929 459994341 /nfs/dbraw/zinc/99/43/41/459994341.db2.gz FVEJBCKGOWOJKA-KCJUWKMLSA-N 1 0 349.250 3.060 10 5 EGBERO COc1cc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000594046071 460071914 /nfs/dbraw/zinc/07/19/14/460071914.db2.gz OSHFLIMISPJTPA-AWEZNQCLSA-N 1 0 338.404 3.059 10 5 EGBERO COc1cc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000594046072 460072750 /nfs/dbraw/zinc/07/27/50/460072750.db2.gz OSHFLIMISPJTPA-CQSZACIVSA-N 1 0 338.404 3.059 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000589511192 460096556 /nfs/dbraw/zinc/09/65/56/460096556.db2.gz AKRSXUUKEBZWDB-LLVKDONJSA-N 1 0 349.412 3.073 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000594105997 460103008 /nfs/dbraw/zinc/10/30/08/460103008.db2.gz MOCNBYAOQIDZCP-XBXGTLAGSA-N 1 0 348.447 3.354 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]CC2COC2)ccc1Oc1ccc(F)cc1 ZINC000599012589 460125878 /nfs/dbraw/zinc/12/58/78/460125878.db2.gz UBSOTZPJIXTHCD-UHFFFAOYSA-N 1 0 332.331 3.262 10 5 EGBERO COc1ccccc1/C=C\C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618821874 460188229 /nfs/dbraw/zinc/18/82/29/460188229.db2.gz WTPVGHLVNGNRHW-XQRVVYSFSA-N 1 0 342.399 3.150 10 5 EGBERO COc1cc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000599594311 460284171 /nfs/dbraw/zinc/28/41/71/460284171.db2.gz JQZBXAQKUVVZHB-KRWDZBQOSA-N 1 0 340.395 3.163 10 5 EGBERO Cc1cccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)c1 ZINC000599626320 460290919 /nfs/dbraw/zinc/29/09/19/460290919.db2.gz CUZPDIOMLLVCDK-GOSISDBHSA-N 1 0 341.411 3.489 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC4(CC4)CC3)n2)cc1 ZINC000599673489 460305193 /nfs/dbraw/zinc/30/51/93/460305193.db2.gz QPKHUPGNONJHNM-UHFFFAOYSA-N 1 0 328.372 3.411 10 5 EGBERO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c2ncccc12 ZINC000611297144 460331573 /nfs/dbraw/zinc/33/15/73/460331573.db2.gz KQYRYVROIMDMHA-UHFFFAOYSA-N 1 0 332.323 3.467 10 5 EGBERO COc1cc(N2CCC(C)([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601215781 460753870 /nfs/dbraw/zinc/75/38/70/460753870.db2.gz FKDDNIWAIHDKDU-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000601217568 460754207 /nfs/dbraw/zinc/75/42/07/460754207.db2.gz JTURXHHPHHFOPK-UHFFFAOYSA-N 1 0 343.431 3.316 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601565990 460834661 /nfs/dbraw/zinc/83/46/61/460834661.db2.gz KTLAMKHGSHFSHV-CYBMUJFWSA-N 1 0 334.420 3.057 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000601972700 460966613 /nfs/dbraw/zinc/96/66/13/460966613.db2.gz NJERANAQKXSBJL-GFCCVEGCSA-N 1 0 343.374 3.064 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000181544860 529179525 /nfs/dbraw/zinc/17/95/25/529179525.db2.gz JNSSIQWJJYOYND-SJORKVTESA-N 1 0 345.355 3.277 10 5 EGBERO CC[N@@H+]1CCCC[C@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000732050375 575234084 /nfs/dbraw/zinc/23/40/84/575234084.db2.gz OKFGRTALHDENHC-HQPKTYMTSA-N 1 0 347.415 3.067 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732214377 575246077 /nfs/dbraw/zinc/24/60/77/575246077.db2.gz QFHNPOMJWDKDJI-OAHLLOKOSA-N 1 0 343.402 3.440 10 5 EGBERO CC[C@H](C[NH+]1CCCC1)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000735832000 575720630 /nfs/dbraw/zinc/72/06/30/575720630.db2.gz BPKHGIUPFILXHU-LOWQCSRCSA-N 1 0 347.415 3.067 10 5 EGBERO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000735832003 575720800 /nfs/dbraw/zinc/72/08/00/575720800.db2.gz BPKHGIUPFILXHU-VIHMKRCTSA-N 1 0 347.415 3.067 10 5 EGBERO CC[C@H](C[NH+](C)C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000870552345 1295936522 /nfs/dbraw/zinc/93/65/22/1295936522.db2.gz UVQZRKGJJUYHDR-CYBMUJFWSA-N 1 0 349.412 3.215 10 5 EGBERO C/C(=C\C(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000871359448 1296369038 /nfs/dbraw/zinc/36/90/38/1296369038.db2.gz HCLWSLUOWIOTMG-BUHFOSPRSA-N 1 0 345.443 3.377 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000872049283 1296700171 /nfs/dbraw/zinc/70/01/71/1296700171.db2.gz SDLNIIVAVRPBNF-HJTOQOCKSA-N 1 0 330.475 3.124 10 5 EGBERO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053982 1296704760 /nfs/dbraw/zinc/70/47/60/1296704760.db2.gz OBDJESDFIWHPSL-BXUZGUMPSA-N 1 0 336.338 3.127 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872088162 1296727557 /nfs/dbraw/zinc/72/75/57/1296727557.db2.gz OVRTXNINFXQDLS-JQWIXIFHSA-N 1 0 336.413 3.229 10 5 EGBERO CC(C)OC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000872116566 1296742638 /nfs/dbraw/zinc/74/26/38/1296742638.db2.gz SLUVEVGZWQOTGR-CABCVRRESA-N 1 0 336.436 3.212 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000872231479 1296834024 /nfs/dbraw/zinc/83/40/24/1296834024.db2.gz PMPKAFNCRNGQFT-NWANDNLSSA-N 1 0 344.333 3.363 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000879672646 1300668998 /nfs/dbraw/zinc/66/89/98/1300668998.db2.gz RFDFQYUCOSQSKP-VXGBXAGGSA-N 1 0 345.277 3.490 10 5 EGBERO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000886600826 1303518330 /nfs/dbraw/zinc/51/83/30/1303518330.db2.gz CBDRDXITYSPHGY-PWSUYJOCSA-N 1 0 346.305 3.045 10 5 EGBERO Cc1noc2ncc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])cc12 ZINC000894421208 1308869776 /nfs/dbraw/zinc/86/97/76/1308869776.db2.gz VXSGVMDUYFAFHW-UHFFFAOYSA-N 1 0 346.774 3.425 10 5 EGBERO CC[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC ZINC000895124863 1309199231 /nfs/dbraw/zinc/19/92/31/1309199231.db2.gz ZFRNBPGAINTNIP-LLVKDONJSA-N 1 0 349.412 3.007 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000899158200 1310958589 /nfs/dbraw/zinc/95/85/89/1310958589.db2.gz PNUWJGULKIUPBJ-UHFFFAOYSA-N 1 0 345.443 3.302 10 5 EGBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000859120143 1328927479 /nfs/dbraw/zinc/92/74/79/1328927479.db2.gz MROBKKOYWMCLPW-OAHLLOKOSA-N 1 0 339.395 3.058 10 5 EGBERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859361030 1328975890 /nfs/dbraw/zinc/97/58/90/1328975890.db2.gz CJLUAXCTJLJKLX-CYBMUJFWSA-N 1 0 329.400 3.208 10 5 EGBERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859719455 1329062651 /nfs/dbraw/zinc/06/26/51/1329062651.db2.gz KMTSCXWGSCWGRR-CQSZACIVSA-N 1 0 341.411 3.162 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)cc1[N+](=O)[O-] ZINC000925854993 1325331843 /nfs/dbraw/zinc/33/18/43/1325331843.db2.gz FXDZFKAYBQRWJX-RISCZKNCSA-N 1 0 331.338 3.238 10 5 EGBERO C[C@H]1COC[C@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926303790 1325508663 /nfs/dbraw/zinc/50/86/63/1325508663.db2.gz NYHIZSHMAPJJMW-UWVGGRQHSA-N 1 0 332.322 3.374 10 5 EGBERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926303787 1325509171 /nfs/dbraw/zinc/50/91/71/1325509171.db2.gz NYHIZSHMAPJJMW-MSRIBSCDSA-N 1 0 332.322 3.374 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)C3CCOCC3)c2c1 ZINC000926440421 1325556211 /nfs/dbraw/zinc/55/62/11/1325556211.db2.gz PPQGSINASWDUFG-LJQANCHMSA-N 1 0 343.427 3.413 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927012479 1327820451 /nfs/dbraw/zinc/82/04/51/1327820451.db2.gz HUNGFDBCUHXWQT-RDJZCZTQSA-N 1 0 348.443 3.234 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927029305 1327825715 /nfs/dbraw/zinc/82/57/15/1327825715.db2.gz CQEMTKSMYULGQV-BZPMIXESSA-N 1 0 337.445 3.186 10 5 EGBERO Cc1nn(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c2cc([N+](=O)[O-])ccc12 ZINC000863294462 1329544321 /nfs/dbraw/zinc/54/43/21/1329544321.db2.gz DEKBECOIKLPZRN-KGLIPLIRSA-N 1 0 332.429 3.180 10 5 EGBERO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c2)cc1 ZINC000863294451 1329544492 /nfs/dbraw/zinc/54/44/92/1329544492.db2.gz CUQQHLLJUFDJEK-SJORKVTESA-N 1 0 344.440 3.386 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000865786209 1329738356 /nfs/dbraw/zinc/73/83/56/1329738356.db2.gz FSKODAGBORQXHZ-AWEZNQCLSA-N 1 0 327.384 3.410 10 5 EGBERO COc1ccc(C[NH2+]CCSCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000865788280 1329738567 /nfs/dbraw/zinc/73/85/67/1329738567.db2.gz KILCORLUKNOPOB-UHFFFAOYSA-N 1 0 338.351 3.379 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866534311 1330123340 /nfs/dbraw/zinc/12/33/40/1330123340.db2.gz RBAWDYQNDNPYTO-ZBFHGGJFSA-N 1 0 334.416 3.140 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866562595 1330126847 /nfs/dbraw/zinc/12/68/47/1330126847.db2.gz FSSPJUSDBWMQHR-XIKOKIGWSA-N 1 0 326.400 3.014 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000866707787 1330143342 /nfs/dbraw/zinc/14/33/42/1330143342.db2.gz WLIHBPAKGKEXJA-INIZCTEOSA-N 1 0 325.840 3.445 10 5 EGBERO COc1ccc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000867991055 1330238029 /nfs/dbraw/zinc/23/80/29/1330238029.db2.gz JUTWHKPYKUFGSV-INIZCTEOSA-N 1 0 341.367 3.042 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H]1C[NH+]2CCC1CC2 ZINC001187880805 1388182758 /nfs/dbraw/zinc/18/27/58/1388182758.db2.gz QVLGZUGXNYCUQH-NSHDSACASA-N 1 0 329.322 3.367 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001126193493 1372946947 /nfs/dbraw/zinc/94/69/47/1372946947.db2.gz NBTVPTVYBFTTDD-UHFFFAOYSA-N 1 0 337.339 3.045 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134765556 1376708974 /nfs/dbraw/zinc/70/89/74/1376708974.db2.gz STWVWYYEUHLLKS-ZDUSSCGKSA-N 1 0 333.413 3.024 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C)cc1 ZINC001268493871 1377510086 /nfs/dbraw/zinc/51/00/86/1377510086.db2.gz KTTRYWONBVIOGK-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1)c1cccc([N+](=O)[O-])c1 ZINC001137927969 1377646578 /nfs/dbraw/zinc/64/65/78/1377646578.db2.gz ZFXJDHFZXGGUNR-DNMXQMFDSA-N 1 0 345.443 3.283 10 5 EGBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc2c[nH+]cn2c1 ZINC001157396018 1380866817 /nfs/dbraw/zinc/86/68/17/1380866817.db2.gz GBXOQTCSWXDSRA-UHFFFAOYSA-N 1 0 348.721 3.216 10 5 EGBERO CCCN(CC[NH+]1CCCCC1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC001163277741 1383012165 /nfs/dbraw/zinc/01/21/65/1383012165.db2.gz KPCBXRVSNCSCFQ-UHFFFAOYSA-N 1 0 333.432 3.500 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4ncccc34)CC2)c1 ZINC001167007910 1383516170 /nfs/dbraw/zinc/51/61/70/1383516170.db2.gz WVEBPMPUVNHQND-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO CC[C@@H]([NH2+]C[C@H]1CCC[C@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634011 1384005872 /nfs/dbraw/zinc/00/58/72/1384005872.db2.gz UHXLLLTUWAJMTE-KZNAEPCWSA-N 1 0 334.416 3.364 10 5 EGBERO O=[N+]([O-])c1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cs1 ZINC001307864181 1384044822 /nfs/dbraw/zinc/04/48/22/1384044822.db2.gz QKIMXTMRAJOZGX-SJORKVTESA-N 1 0 343.452 3.363 10 5 EGBERO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307931042 1384058160 /nfs/dbraw/zinc/05/81/60/1384058160.db2.gz WAIJLFLHEZCTEP-RNCFNFMXSA-N 1 0 332.231 3.426 10 5 EGBERO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001308155463 1384102170 /nfs/dbraw/zinc/10/21/70/1384102170.db2.gz DNAQMJCSPLVSKD-LDDOYCOJSA-N 1 0 348.443 3.435 10 5 EGBERO C[N@@H+]1C[C@@]23CN(Cc4ccc([N+](=O)[O-])c(F)c4)C[C@]2(C1)CCCC3 ZINC001308170293 1384105182 /nfs/dbraw/zinc/10/51/82/1384105182.db2.gz KROHUGYQSCBQMU-HDICACEKSA-N 1 0 333.407 3.042 10 5 EGBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC001170425882 1384315841 /nfs/dbraw/zinc/31/58/41/1384315841.db2.gz UKABFSLORUJFHA-AWEZNQCLSA-N 1 0 342.355 3.278 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC001175193390 1385216532 /nfs/dbraw/zinc/21/65/32/1385216532.db2.gz CIQNFAWGJYSIKO-RTBURBONSA-N 1 0 342.395 3.172 10 5 EGBERO O=C(C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001175436558 1385288703 /nfs/dbraw/zinc/28/87/03/1385288703.db2.gz MEJAPLXBIQJAFF-TXEJJXNPSA-N 1 0 335.791 3.085 10 5 EGBERO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001176036323 1385468630 /nfs/dbraw/zinc/46/86/30/1385468630.db2.gz JQBAVQIRLLXJKM-LBPRGKRZSA-N 1 0 338.367 3.137 10 5 EGBERO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400826 1386104343 /nfs/dbraw/zinc/10/43/43/1386104343.db2.gz UYLRGHFJYUUFKK-KUHUBIRLSA-N 1 0 344.411 3.200 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC001347457065 1391078084 /nfs/dbraw/zinc/07/80/84/1391078084.db2.gz VRWRWOSCGOBDDF-APPDUMDISA-N 1 0 348.786 3.465 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(C)(C)C ZINC001732762388 1428955160 /nfs/dbraw/zinc/95/51/60/1428955160.db2.gz UANAPBVPQFGXDE-UHFFFAOYSA-N 1 0 327.450 3.031 10 5 EGBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001713661711 1418420966 /nfs/dbraw/zinc/42/09/66/1418420966.db2.gz IMKIMEBUZBBNPF-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO Cc1ccsc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733234707 1429372659 /nfs/dbraw/zinc/37/26/59/1429372659.db2.gz BPCLZGGWEQRAFF-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(F)CCCCC1 ZINC001716697456 1420850470 /nfs/dbraw/zinc/85/04/70/1420850470.db2.gz SJHKCEPIBFAPBG-UHFFFAOYSA-N 1 0 349.406 3.006 10 5 EGBERO CC(C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716791553 1420925017 /nfs/dbraw/zinc/92/50/17/1420925017.db2.gz LSNOHQTZIPCBPH-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(C)(C)C1 ZINC001724850357 1425212291 /nfs/dbraw/zinc/21/22/91/1425212291.db2.gz AFRMCEJORJULPF-UHFFFAOYSA-N 1 0 347.459 3.311 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC001731300133 1427243189 /nfs/dbraw/zinc/24/31/89/1427243189.db2.gz QFZIWJULOJFFTI-UHFFFAOYSA-N 1 0 341.411 3.237 10 5 EGBERO CC[N@H+](CCCNC(=O)C1=CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731305141 1427246823 /nfs/dbraw/zinc/24/68/23/1427246823.db2.gz KDWYUSAUJKWONL-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CCC1(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001731967795 1428188029 /nfs/dbraw/zinc/18/80/29/1428188029.db2.gz STSXUJMQJLTDNJ-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000174747593 231297744 /nfs/dbraw/zinc/29/77/44/231297744.db2.gz FADFIBVWDQQAOV-CVEARBPZSA-N 1 0 346.431 3.382 10 5 EGBERO CCC[NH+]1CCC(N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000102637169 219216406 /nfs/dbraw/zinc/21/64/06/219216406.db2.gz NADVPEKOFPPHLC-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000181071321 234078385 /nfs/dbraw/zinc/07/83/85/234078385.db2.gz IBGBZEOJBRIUSR-ZDUSSCGKSA-N 1 0 341.367 3.402 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000359088675 241898411 /nfs/dbraw/zinc/89/84/11/241898411.db2.gz AEZGUOYMECDTRP-UHFFFAOYSA-N 1 0 332.379 3.419 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247060449 243362660 /nfs/dbraw/zinc/36/26/60/243362660.db2.gz OAKDVZVVIQJQRR-GDBMZVCRSA-N 1 0 348.447 3.090 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000266422441 248292509 /nfs/dbraw/zinc/29/25/09/248292509.db2.gz ATZWUFFHVKGKIF-GFCCVEGCSA-N 1 0 331.328 3.233 10 5 EGBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000408401255 169174979 /nfs/dbraw/zinc/17/49/79/169174979.db2.gz BURVMVGLGQYTSC-BZPMIXESSA-N 1 0 338.839 3.485 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)nc1-c1ccc(F)cc1 ZINC000362363219 285125557 /nfs/dbraw/zinc/12/55/57/285125557.db2.gz YSHDUBCZNDCKER-UHFFFAOYSA-N 1 0 342.374 3.080 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000180853606 533167581 /nfs/dbraw/zinc/16/75/81/533167581.db2.gz GVBBLAVOKHIAAN-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO COc1cc(C[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184262461 144089626 /nfs/dbraw/zinc/08/96/26/144089626.db2.gz CVRGYUCDYZJRAW-UHFFFAOYSA-N 1 0 326.368 3.132 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000341062548 155131683 /nfs/dbraw/zinc/13/16/83/155131683.db2.gz CGNJZXLOLKTNBZ-STQMWFEESA-N 1 0 344.415 3.069 10 5 EGBERO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCO1 ZINC000113321121 162209520 /nfs/dbraw/zinc/20/95/20/162209520.db2.gz UEPZMGGVEWOJSQ-IAQYHMDHSA-N 1 0 333.413 3.375 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128894847 162338933 /nfs/dbraw/zinc/33/89/33/162338933.db2.gz PMRGVPVKJNRZOB-HZPDHXFCSA-N 1 0 330.388 3.073 10 5 EGBERO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349870259 164963591 /nfs/dbraw/zinc/96/35/91/164963591.db2.gz BIUNCYQLCRBILO-INIZCTEOSA-N 1 0 331.441 3.363 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000352108657 165240075 /nfs/dbraw/zinc/24/00/75/165240075.db2.gz YMAYDYMKKDUZII-PKOBYXMFSA-N 1 0 341.411 3.138 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000359103972 167067331 /nfs/dbraw/zinc/06/73/31/167067331.db2.gz UVKUQSJHYFBPJB-UHFFFAOYSA-N 1 0 348.447 3.054 10 5 EGBERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000359555631 167192206 /nfs/dbraw/zinc/19/22/06/167192206.db2.gz KVGZKWNVLNFZLB-CJNGLKHVSA-N 1 0 345.399 3.355 10 5 EGBERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000359555632 167192390 /nfs/dbraw/zinc/19/23/90/167192390.db2.gz KVGZKWNVLNFZLB-CZUORRHYSA-N 1 0 345.399 3.355 10 5 EGBERO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367572376 168243966 /nfs/dbraw/zinc/24/39/66/168243966.db2.gz DPIYWFKHDPQRKJ-QAPCUYQASA-N 1 0 341.411 3.230 10 5 EGBERO COc1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000122915125 222182169 /nfs/dbraw/zinc/18/21/69/222182169.db2.gz PMZRINDWVFVFDA-UHFFFAOYSA-N 1 0 348.321 3.386 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000174155602 265027457 /nfs/dbraw/zinc/02/74/57/265027457.db2.gz CAXRVAZHEKKUBI-UHFFFAOYSA-N 1 0 333.432 3.009 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176191395 265161936 /nfs/dbraw/zinc/16/19/36/265161936.db2.gz OMVZUUDRRLNYGO-DLBZAZTESA-N 1 0 348.447 3.220 10 5 EGBERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092588641 275154715 /nfs/dbraw/zinc/15/47/15/275154715.db2.gz SXIJCULYYVOJFX-ZDUSSCGKSA-N 1 0 343.383 3.085 10 5 EGBERO CC[NH+](CC)C[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182901463 276105792 /nfs/dbraw/zinc/10/57/92/276105792.db2.gz UQEFRKXMHNTASE-VMEIHUARSA-N 1 0 345.443 3.188 10 5 EGBERO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000255144655 308042267 /nfs/dbraw/zinc/04/22/67/308042267.db2.gz LRIXPKVNFYTEIE-YPLUBFQTSA-N 1 0 347.459 3.041 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295742208 308355604 /nfs/dbraw/zinc/35/56/04/308355604.db2.gz WRFZKGIQXGJZFS-KGLIPLIRSA-N 1 0 333.432 3.269 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+]2CCC(C)CC2)c1 ZINC000301331274 308696693 /nfs/dbraw/zinc/69/66/93/308696693.db2.gz DQZBIUIEMMRSKF-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c2ncccc12 ZINC000301388616 308698775 /nfs/dbraw/zinc/69/87/75/308698775.db2.gz YQOLLDTWQYGFJO-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)c(F)c1 ZINC000413040310 309012878 /nfs/dbraw/zinc/01/28/78/309012878.db2.gz TWMGKNOGVMSHTR-UHFFFAOYSA-N 1 0 330.363 3.337 10 5 EGBERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415689080 309141108 /nfs/dbraw/zinc/14/11/08/309141108.db2.gz CMDODCKXVQXGHU-CHWSQXEVSA-N 1 0 348.447 3.483 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000415705723 309141490 /nfs/dbraw/zinc/14/14/90/309141490.db2.gz UERFDWLTUXECHB-CYBMUJFWSA-N 1 0 348.447 3.485 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000421455882 309325245 /nfs/dbraw/zinc/32/52/45/309325245.db2.gz HMAVRDSEDCAKCY-INIZCTEOSA-N 1 0 345.443 3.302 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000430200559 309601296 /nfs/dbraw/zinc/60/12/96/309601296.db2.gz AJCKDEPZICASOR-FZKQIMNGSA-N 1 0 336.432 3.270 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429297 310061421 /nfs/dbraw/zinc/06/14/21/310061421.db2.gz ASWXASQMDLAHAF-NUJGCVRESA-N 1 0 348.443 3.080 10 5 EGBERO CN(c1nccc2c1cccc2[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450524880 310128200 /nfs/dbraw/zinc/12/82/00/310128200.db2.gz PUEHLQJUFPCGNT-PBWFPOADSA-N 1 0 326.400 3.204 10 5 EGBERO COC[C@](C)(O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453268180 310268185 /nfs/dbraw/zinc/26/81/85/310268185.db2.gz ZIAOELGDIXJHAU-RTBURBONSA-N 1 0 344.411 3.061 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456276678 310396243 /nfs/dbraw/zinc/39/62/43/310396243.db2.gz NVSPIRXJZMJALM-QGZVFWFLSA-N 1 0 340.383 3.099 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000488765956 311079239 /nfs/dbraw/zinc/07/92/39/311079239.db2.gz MTNQADAWLOBRLP-MRXNPFEDSA-N 1 0 333.432 3.458 10 5 EGBERO COc1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000492852989 311299173 /nfs/dbraw/zinc/29/91/73/311299173.db2.gz PTHSTGZVKIEMGC-LPHOPBHVSA-N 1 0 342.395 3.471 10 5 EGBERO C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000514701526 312239530 /nfs/dbraw/zinc/23/95/30/312239530.db2.gz ZQSDGZAFNRUJSZ-QAPCUYQASA-N 1 0 345.443 3.175 10 5 EGBERO C[N@@H+]1CCC[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000516230663 312315707 /nfs/dbraw/zinc/31/57/07/312315707.db2.gz FKHMYPUSTBCBEE-BBRMVZONSA-N 1 0 326.400 3.064 10 5 EGBERO O=C(CC[NH2+]C1CCC(C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000564859992 316220785 /nfs/dbraw/zinc/22/07/85/316220785.db2.gz LOHSPJIOROTOJS-UHFFFAOYSA-N 1 0 341.358 3.337 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000569000670 316852485 /nfs/dbraw/zinc/85/24/85/316852485.db2.gz MLOZMTJXAITNSS-SWLSCSKDSA-N 1 0 326.352 3.012 10 5 EGBERO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(CO)c1 ZINC000571003020 317137313 /nfs/dbraw/zinc/13/73/13/317137313.db2.gz VFUZWAURVGQLGT-CYBMUJFWSA-N 1 0 339.395 3.462 10 5 EGBERO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382459186 324250500 /nfs/dbraw/zinc/25/05/00/324250500.db2.gz TTYDSEAHZIVNPX-NXEZZACHSA-N 1 0 328.210 3.205 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000579002370 325049643 /nfs/dbraw/zinc/04/96/43/325049643.db2.gz ZEFDFNVSUJZLKH-HNNXBMFYSA-N 1 0 327.384 3.296 10 5 EGBERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311095 455276536 /nfs/dbraw/zinc/27/65/36/455276536.db2.gz BLGCCFAEFUJXME-RDJZCZTQSA-N 1 0 347.459 3.420 10 5 EGBERO COc1ccc(-c2ccc(CN[C@H]3CC[C@@H](C)[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000600771708 460597296 /nfs/dbraw/zinc/59/72/96/460597296.db2.gz AJDMTTXJRWCVSY-OLZOCXBDSA-N 1 0 345.399 3.094 10 5 EGBERO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000600777058 460600073 /nfs/dbraw/zinc/60/00/73/460600073.db2.gz YOPFSGOFMYSDOR-BLLLJJGKSA-N 1 0 345.374 3.366 10 5 EGBERO C[NH+](C)C[C@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000024237706 453728926 /nfs/dbraw/zinc/72/89/26/453728926.db2.gz RZKLPHHHUZTRCV-HNNXBMFYSA-N 1 0 328.372 3.019 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](CCc2ccncc2)CC1 ZINC000069452380 454107108 /nfs/dbraw/zinc/10/71/08/454107108.db2.gz VDVVFIPXVLEEDG-UHFFFAOYSA-N 1 0 344.390 3.248 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000093970185 454182035 /nfs/dbraw/zinc/18/20/35/454182035.db2.gz AWBKCGDLKLMIHX-AWEZNQCLSA-N 1 0 333.432 3.124 10 5 EGBERO CN1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1=O ZINC000119892724 454233577 /nfs/dbraw/zinc/23/35/77/454233577.db2.gz AREKSWGYZNUXJZ-GFCCVEGCSA-N 1 0 345.424 3.034 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258340 454346921 /nfs/dbraw/zinc/34/69/21/454346921.db2.gz BPOOMWKFUKWDRR-ZDUSSCGKSA-N 1 0 341.415 3.073 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000091478161 454439845 /nfs/dbraw/zinc/43/98/45/454439845.db2.gz CHMWQHAANFFKSZ-HZPDHXFCSA-N 1 0 347.459 3.229 10 5 EGBERO COc1cc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000091482410 454441343 /nfs/dbraw/zinc/44/13/43/454441343.db2.gz ZFKFDHTYBQIIEO-MRXNPFEDSA-N 1 0 333.432 3.448 10 5 EGBERO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000122262339 454516637 /nfs/dbraw/zinc/51/66/37/454516637.db2.gz DDWUYQGDSQDESC-AWEZNQCLSA-N 1 0 344.367 3.240 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000123457013 454639755 /nfs/dbraw/zinc/63/97/55/454639755.db2.gz GIWPNAPKQRCTGZ-AWEZNQCLSA-N 1 0 343.374 3.112 10 5 EGBERO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](C)O ZINC000093143384 454688033 /nfs/dbraw/zinc/68/80/33/454688033.db2.gz SWTLROWUAJKDIU-GFCCVEGCSA-N 1 0 335.429 3.310 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137260699 454774132 /nfs/dbraw/zinc/77/41/32/454774132.db2.gz YISYCETZFSAALX-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000150924986 454913423 /nfs/dbraw/zinc/91/34/23/454913423.db2.gz OXQCCVRLEHNGLS-CQSZACIVSA-N 1 0 333.432 3.201 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128659525 455075812 /nfs/dbraw/zinc/07/58/12/455075812.db2.gz GCPCRYBLBVDGKF-HNNXBMFYSA-N 1 0 347.346 3.493 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1[N+](=O)[O-] ZINC000180636967 455214912 /nfs/dbraw/zinc/21/49/12/455214912.db2.gz ABQTZXVLJULUDI-ZFWWWQNUSA-N 1 0 343.431 3.284 10 5 EGBERO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245392596 455284218 /nfs/dbraw/zinc/28/42/18/455284218.db2.gz UJTAUMFQYNODGL-HUUCEWRRSA-N 1 0 333.432 3.140 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000181282982 455312723 /nfs/dbraw/zinc/31/27/23/455312723.db2.gz WHEQKRIITWLYEE-DZKIICNBSA-N 1 0 335.448 3.373 10 5 EGBERO Cc1sc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182090955 455433443 /nfs/dbraw/zinc/43/34/43/455433443.db2.gz WBRHIPZANLKYFA-GFCCVEGCSA-N 1 0 347.440 3.215 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000246223706 455452124 /nfs/dbraw/zinc/45/21/24/455452124.db2.gz DSAJYAYKVBYTBF-QZTJIDSGSA-N 1 0 344.436 3.418 10 5 EGBERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246900390 455534334 /nfs/dbraw/zinc/53/43/34/455534334.db2.gz FQCYQTSIGAXQPY-LXZKKBNFSA-N 1 0 348.447 3.170 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185642627 455588762 /nfs/dbraw/zinc/58/87/62/455588762.db2.gz LIPATTDEQIGLHF-UHFFFAOYSA-N 1 0 326.396 3.387 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000185691645 455598480 /nfs/dbraw/zinc/59/84/80/455598480.db2.gz UFLRWLOPRPLUAW-FDPSAONLSA-N 1 0 343.427 3.085 10 5 EGBERO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 ZINC000278340510 455823707 /nfs/dbraw/zinc/82/37/07/455823707.db2.gz CMPBGZWVZLOHKB-AWEZNQCLSA-N 1 0 331.401 3.247 10 5 EGBERO C[NH+](C)C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCC1 ZINC000279148877 455858668 /nfs/dbraw/zinc/85/86/68/455858668.db2.gz ZETJEGPHKTUYDD-UHFFFAOYSA-N 1 0 349.434 3.308 10 5 EGBERO C[C@H]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302028736 456271817 /nfs/dbraw/zinc/27/18/17/456271817.db2.gz JCGACFZYHDAAGJ-YOEHRIQHSA-N 1 0 341.411 3.162 10 5 EGBERO COc1cc(C[N@H+](Cc2ccccc2)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000352771674 456291938 /nfs/dbraw/zinc/29/19/38/456291938.db2.gz ZOWPGNNKFXDLIN-UHFFFAOYSA-N 1 0 344.411 3.377 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000352782337 456302003 /nfs/dbraw/zinc/30/20/03/456302003.db2.gz CWJOKSIXFGDBPA-LBPRGKRZSA-N 1 0 343.383 3.413 10 5 EGBERO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340274085 456354602 /nfs/dbraw/zinc/35/46/02/456354602.db2.gz ANUANRQTZYNQSD-GOSISDBHSA-N 1 0 325.412 3.301 10 5 EGBERO CC1(C)C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000352843575 456357539 /nfs/dbraw/zinc/35/75/39/456357539.db2.gz ZVZDRERFRPEXGG-NSHDSACASA-N 1 0 346.168 3.088 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473708 456526237 /nfs/dbraw/zinc/52/62/37/456526237.db2.gz KWKBHZLWQDGMTB-CAGXHZNZSA-N 1 0 336.407 3.495 10 5 EGBERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000299635293 456749498 /nfs/dbraw/zinc/74/94/98/456749498.db2.gz MFXQRVZOOFDJLN-INIZCTEOSA-N 1 0 345.399 3.309 10 5 EGBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCC[NH+]1CCOCC1 ZINC000338293578 456751058 /nfs/dbraw/zinc/75/10/58/456751058.db2.gz JQVGUPUCMQWLDM-UHFFFAOYSA-N 1 0 347.337 3.138 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000343643653 456762272 /nfs/dbraw/zinc/76/22/72/456762272.db2.gz RGHZZEVXKRHOLY-ZDUSSCGKSA-N 1 0 339.823 3.161 10 5 EGBERO CCC[N@H+](C)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291892217 456790696 /nfs/dbraw/zinc/79/06/96/456790696.db2.gz JNWLXENMHBVVFY-CQSZACIVSA-N 1 0 328.416 3.311 10 5 EGBERO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617217 456805889 /nfs/dbraw/zinc/80/58/89/456805889.db2.gz CNLWPPQZFFVMEB-PIGZYNQJSA-N 1 0 326.400 3.187 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341469150 456866862 /nfs/dbraw/zinc/86/68/62/456866862.db2.gz XEOQFRXKSREIPR-OKILXGFUSA-N 1 0 334.420 3.288 10 5 EGBERO CC1CC[NH+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000357112399 457328253 /nfs/dbraw/zinc/32/82/53/457328253.db2.gz QINSNYITDXRCLI-UHFFFAOYSA-N 1 0 340.427 3.256 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000374752248 457700360 /nfs/dbraw/zinc/70/03/60/457700360.db2.gz PKSYCQXKEQQCIV-QILLFSRXSA-N 1 0 348.443 3.122 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000375078648 457784093 /nfs/dbraw/zinc/78/40/93/457784093.db2.gz CTECJARFECKCTJ-SJLPKXTDSA-N 1 0 347.365 3.408 10 5 EGBERO COC(=O)c1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000433805262 457889921 /nfs/dbraw/zinc/88/99/21/457889921.db2.gz MCNNXZLNAQNNMF-HNNXBMFYSA-N 1 0 347.415 3.119 10 5 EGBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651714 457927192 /nfs/dbraw/zinc/92/71/92/457927192.db2.gz RSRFNYCAMPMAOL-GFCCVEGCSA-N 1 0 340.383 3.240 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412045182 458064599 /nfs/dbraw/zinc/06/45/99/458064599.db2.gz PKPBTGJWYKCESG-GFCCVEGCSA-N 1 0 335.404 3.052 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059402 458075455 /nfs/dbraw/zinc/07/54/55/458075455.db2.gz XEKFGQGUWMHNNU-HOCLYGCPSA-N 1 0 331.416 3.133 10 5 EGBERO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000371850148 458097401 /nfs/dbraw/zinc/09/74/01/458097401.db2.gz QPLZQUAIEHEZAD-UHFFFAOYSA-N 1 0 340.383 3.153 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000428378716 458131412 /nfs/dbraw/zinc/13/14/12/458131412.db2.gz VCXBBKIQGIQNEJ-MRXNPFEDSA-N 1 0 330.409 3.280 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000446309921 458175581 /nfs/dbraw/zinc/17/55/81/458175581.db2.gz DZWYYKCOAZSPQF-NSHDSACASA-N 1 0 341.839 3.263 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362447546 458182536 /nfs/dbraw/zinc/18/25/36/458182536.db2.gz LIGHGPZDBVGPOQ-WMLDXEAASA-N 1 0 334.416 3.383 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC4(C3)CCCOC4)o2)c1 ZINC000459607600 458427623 /nfs/dbraw/zinc/42/76/23/458427623.db2.gz PFAMOHJIZCEWFG-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 ZINC000423528994 458452174 /nfs/dbraw/zinc/45/21/74/458452174.db2.gz PMLOWFOCIKXYOY-RWBCNSPNSA-N 1 0 329.444 3.399 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000373779865 458601402 /nfs/dbraw/zinc/60/14/02/458601402.db2.gz ZOQARHLZGIFMJI-QFBILLFUSA-N 1 0 342.395 3.471 10 5 EGBERO CC(C)(C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000456717890 458761794 /nfs/dbraw/zinc/76/17/94/458761794.db2.gz BYDPTVQJYBEUPX-UHFFFAOYSA-N 1 0 345.443 3.006 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000473517001 458832538 /nfs/dbraw/zinc/83/25/38/458832538.db2.gz FUNLHZGOUPKZPR-XJKSGUPXSA-N 1 0 328.416 3.310 10 5 EGBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000441015752 458876864 /nfs/dbraw/zinc/87/68/64/458876864.db2.gz KZPVABCDEHLFTK-KUHUBIRLSA-N 1 0 326.396 3.461 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000594507418 459067692 /nfs/dbraw/zinc/06/76/92/459067692.db2.gz MNBRFSFLSQESBP-LSBZLQRGSA-N 1 0 339.395 3.487 10 5 EGBERO [NH3+]C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)(F)F ZINC000594583218 459098121 /nfs/dbraw/zinc/09/81/21/459098121.db2.gz BXDMHQCSZOKYRV-ZDUSSCGKSA-N 1 0 345.346 3.303 10 5 EGBERO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591774 459101022 /nfs/dbraw/zinc/10/10/22/459101022.db2.gz KCIQKXNGFJYNNP-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000557998779 459123425 /nfs/dbraw/zinc/12/34/25/459123425.db2.gz ZSQMNQQWONAJOX-UHFFFAOYSA-N 1 0 347.459 3.250 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000594709780 459135960 /nfs/dbraw/zinc/13/59/60/459135960.db2.gz HXQSWONHPGVCJH-CYBMUJFWSA-N 1 0 327.384 3.082 10 5 EGBERO C[C@@H]1C[NH+](Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)C[C@@H](C)O1 ZINC000558409049 459155295 /nfs/dbraw/zinc/15/52/95/459155295.db2.gz MOOZYKXAYASITM-ZIAGYGMSSA-N 1 0 342.399 3.343 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000590594676 459156513 /nfs/dbraw/zinc/15/65/13/459156513.db2.gz JPZXBHCFHZPYNG-CZUORRHYSA-N 1 0 341.411 3.330 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1noc2ccccc12 ZINC000594956031 459191520 /nfs/dbraw/zinc/19/15/20/459191520.db2.gz UVQQBUHVUSIXMV-UHFFFAOYSA-N 1 0 341.367 3.467 10 5 EGBERO CNC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000594994103 459208558 /nfs/dbraw/zinc/20/85/58/459208558.db2.gz CAUYKDHTJYKEDB-UHFFFAOYSA-N 1 0 333.432 3.079 10 5 EGBERO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992237 459208897 /nfs/dbraw/zinc/20/88/97/459208897.db2.gz QZSHSWRRKBRTOH-MOPGFXCFSA-N 1 0 344.411 3.451 10 5 EGBERO NC(=O)CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594999477 459209582 /nfs/dbraw/zinc/20/95/82/459209582.db2.gz AHDUILWHJZYEDT-VURMDHGXSA-N 1 0 331.416 3.024 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595094975 459243135 /nfs/dbraw/zinc/24/31/35/459243135.db2.gz RZYYOXDHUHZNHL-GXFFZTMASA-N 1 0 341.358 3.193 10 5 EGBERO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595296469 459270583 /nfs/dbraw/zinc/27/05/83/459270583.db2.gz DLRYJYHKAXDVEA-CQSZACIVSA-N 1 0 331.372 3.107 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000559758658 459275282 /nfs/dbraw/zinc/27/52/82/459275282.db2.gz KRNRKBFBPKEYBG-GFCCVEGCSA-N 1 0 345.365 3.347 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000523530941 459311625 /nfs/dbraw/zinc/31/16/25/459311625.db2.gz WIBIDDQPGWBHPX-UHFFFAOYSA-N 1 0 347.459 3.111 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503933 459327466 /nfs/dbraw/zinc/32/74/66/459327466.db2.gz ZEJSYTZPFHAVOM-AWEZNQCLSA-N 1 0 327.384 3.378 10 5 EGBERO CC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591306205 459351038 /nfs/dbraw/zinc/35/10/38/459351038.db2.gz KIQDFBDHSCHSAI-WFASDCNBSA-N 1 0 348.447 3.483 10 5 EGBERO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595581217 459354038 /nfs/dbraw/zinc/35/40/38/459354038.db2.gz KYUQSIMRKRRZNT-CABCVRRESA-N 1 0 348.447 3.075 10 5 EGBERO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595643243 459381054 /nfs/dbraw/zinc/38/10/54/459381054.db2.gz WHQRDPVYUYVJBX-GFCCVEGCSA-N 1 0 337.420 3.346 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c1 ZINC000595703906 459406088 /nfs/dbraw/zinc/40/60/88/459406088.db2.gz BVHMYAJXJZLFTG-YVEFUNNKSA-N 1 0 340.379 3.199 10 5 EGBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755708 459426667 /nfs/dbraw/zinc/42/66/67/459426667.db2.gz OSRJBDMGFUDUPQ-KGLIPLIRSA-N 1 0 337.395 3.302 10 5 EGBERO CCc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595935218 459488871 /nfs/dbraw/zinc/48/88/71/459488871.db2.gz BQUQNUSGOPJJDL-QGZVFWFLSA-N 1 0 345.443 3.009 10 5 EGBERO CCCN(C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591976295 459501862 /nfs/dbraw/zinc/50/18/62/459501862.db2.gz QFXRWSHBRLLPKN-DLBZAZTESA-N 1 0 348.447 3.172 10 5 EGBERO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596083963 459513334 /nfs/dbraw/zinc/51/33/34/459513334.db2.gz ZMWKFIMLVWRMHV-GFCCVEGCSA-N 1 0 339.823 3.321 10 5 EGBERO COc1cc(NC[C@@]2([NH+](C)C)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000596149339 459537197 /nfs/dbraw/zinc/53/71/97/459537197.db2.gz LYSUPIGIFGIEHU-AWEZNQCLSA-N 1 0 345.852 3.106 10 5 EGBERO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000592398467 459592190 /nfs/dbraw/zinc/59/21/90/459592190.db2.gz ILXMJIMMQKZMQZ-DNNBLBMLSA-N 1 0 326.400 3.196 10 5 EGBERO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592438946 459599555 /nfs/dbraw/zinc/59/95/55/459599555.db2.gz XLTNRGUZAPKMIG-KRWDZBQOSA-N 1 0 331.803 3.306 10 5 EGBERO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697064 459625629 /nfs/dbraw/zinc/62/56/29/459625629.db2.gz XBXSURACEQRKPN-IFXJQAMLSA-N 1 0 326.396 3.118 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000499255803 459629772 /nfs/dbraw/zinc/62/97/72/459629772.db2.gz ZLOOTIDIBCOAHD-HZPDHXFCSA-N 1 0 336.432 3.222 10 5 EGBERO COc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596571744 459681436 /nfs/dbraw/zinc/68/14/36/459681436.db2.gz ZONNANWBCOKQCY-ZDUSSCGKSA-N 1 0 337.395 3.276 10 5 EGBERO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566118255 459809426 /nfs/dbraw/zinc/80/94/26/459809426.db2.gz YYNMWEICQIEINE-DJJJIMSYSA-N 1 0 339.395 3.447 10 5 EGBERO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754492 459841336 /nfs/dbraw/zinc/84/13/36/459841336.db2.gz PQSZBCPIPFOOIL-MRXNPFEDSA-N 1 0 344.411 3.202 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593455080 459894242 /nfs/dbraw/zinc/89/42/42/459894242.db2.gz OLCQQDGLZGMOBQ-HNNXBMFYSA-N 1 0 326.400 3.208 10 5 EGBERO CSC1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC[NH+](C)CC1 ZINC000593472103 459900028 /nfs/dbraw/zinc/90/00/28/459900028.db2.gz GDHFWGFHMCJQNY-UHFFFAOYSA-N 1 0 346.456 3.382 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588928676 460005407 /nfs/dbraw/zinc/00/54/07/460005407.db2.gz DQCXJSAMOWDTAU-HNNXBMFYSA-N 1 0 334.803 3.422 10 5 EGBERO C[C@H]1C[NH+](Cc2cccc(Nc3cccnc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000609964519 460042184 /nfs/dbraw/zinc/04/21/84/460042184.db2.gz OXEGRZXGQZSBMM-KBPBESRZSA-N 1 0 342.399 3.343 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000589510869 460096581 /nfs/dbraw/zinc/09/65/81/460096581.db2.gz RFOOQHOOJJLXKM-YLQAJVPDSA-N 1 0 332.400 3.392 10 5 EGBERO CCOc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)cc1OC ZINC000598962426 460105833 /nfs/dbraw/zinc/10/58/33/460105833.db2.gz GYCZIWGAIVUYKT-UHFFFAOYSA-N 1 0 348.374 3.474 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000598984778 460117676 /nfs/dbraw/zinc/11/76/76/460117676.db2.gz ATRPKBHYUFKWTE-NSHDSACASA-N 1 0 330.331 3.103 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000599023209 460130755 /nfs/dbraw/zinc/13/07/55/460130755.db2.gz CRAASUBLNHNIIX-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599071039 460150563 /nfs/dbraw/zinc/15/05/63/460150563.db2.gz QGPJLJJECRYVMS-IJLUTSLNSA-N 1 0 345.424 3.238 10 5 EGBERO CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599085409 460156155 /nfs/dbraw/zinc/15/61/55/460156155.db2.gz ZXWCQBOLLNJQPP-INIZCTEOSA-N 1 0 333.432 3.284 10 5 EGBERO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000599086839 460158407 /nfs/dbraw/zinc/15/84/07/460158407.db2.gz SQLVOKOJSPSMAD-ZDUSSCGKSA-N 1 0 326.400 3.064 10 5 EGBERO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccncc1 ZINC000610517712 460173246 /nfs/dbraw/zinc/17/32/46/460173246.db2.gz JKTJIEWKXXNPNB-LLVKDONJSA-N 1 0 337.326 3.485 10 5 EGBERO CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529764 460178040 /nfs/dbraw/zinc/17/80/40/460178040.db2.gz OGEKMNYHMRQVMX-YOEHRIQHSA-N 1 0 348.447 3.075 10 5 EGBERO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599674335 460305816 /nfs/dbraw/zinc/30/58/16/460305816.db2.gz CYKSDLXSIPGEDS-GUYCJALGSA-N 1 0 328.372 3.409 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599676071 460306532 /nfs/dbraw/zinc/30/65/32/460306532.db2.gz XPQPMHWFQZKIKX-KSSFIOAISA-N 1 0 331.416 3.496 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601321888 460788761 /nfs/dbraw/zinc/78/87/61/460788761.db2.gz XZKRPOGHUWBQIW-OCCSQVGLSA-N 1 0 330.388 3.376 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOCC2CCC2)c1 ZINC000613175377 460852198 /nfs/dbraw/zinc/85/21/98/460852198.db2.gz QNLCQHMLIZRIRH-UHFFFAOYSA-N 1 0 330.331 3.103 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000601791653 460899936 /nfs/dbraw/zinc/89/99/36/460899936.db2.gz NZNBCOOYYUUVEV-UHFFFAOYSA-N 1 0 345.399 3.287 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972714 460966781 /nfs/dbraw/zinc/96/67/81/460966781.db2.gz NLCULUPWMDFSCU-LMRWQKIVSA-N 1 0 326.343 3.354 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181545317 529154422 /nfs/dbraw/zinc/15/44/22/529154422.db2.gz CYYLKJXUENQBIV-OAHLLOKOSA-N 1 0 333.413 3.013 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000363826976 536766449 /nfs/dbraw/zinc/76/64/49/536766449.db2.gz TYHWTOOPWCUROT-CQSZACIVSA-N 1 0 345.374 3.202 10 5 EGBERO COc1cccc([C@H](CNc2nc(C)cc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000359088552 537142313 /nfs/dbraw/zinc/14/23/13/537142313.db2.gz ZMQZSOGVLFIIJX-INIZCTEOSA-N 1 0 344.415 3.330 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000270116509 547341764 /nfs/dbraw/zinc/34/17/64/547341764.db2.gz NUSLEGOYLGJBHH-ZAMGYDSWSA-N 1 0 332.425 3.491 10 5 EGBERO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000732050378 575234146 /nfs/dbraw/zinc/23/41/46/575234146.db2.gz OKFGRTALHDENHC-TUPIDYKKSA-N 1 0 347.415 3.067 10 5 EGBERO Cc1cc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352881491 576111798 /nfs/dbraw/zinc/11/17/98/576111798.db2.gz DHWHPZAEFQXMHB-OKILXGFUSA-N 1 0 334.420 3.288 10 5 EGBERO Cc1cc(F)cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000870259333 1295771352 /nfs/dbraw/zinc/77/13/52/1295771352.db2.gz MDQJXGKKQWMJFK-UHFFFAOYSA-N 1 0 349.406 3.133 10 5 EGBERO COc1ccccc1OCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017599 1296657607 /nfs/dbraw/zinc/65/76/07/1296657607.db2.gz CRIHPPQBDPDFGE-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872020143 1296662555 /nfs/dbraw/zinc/66/25/55/1296662555.db2.gz DLVZHMVYLFQRKD-LBPRGKRZSA-N 1 0 337.395 3.032 10 5 EGBERO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033197 1296682395 /nfs/dbraw/zinc/68/23/95/1296682395.db2.gz BRLYZBXEVLRWIR-LBPRGKRZSA-N 1 0 337.395 3.033 10 5 EGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037866 1296688471 /nfs/dbraw/zinc/68/84/71/1296688471.db2.gz GCEPQBOIZHYYTC-ZYHUDNBSSA-N 1 0 334.395 3.366 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000872051665 1296702727 /nfs/dbraw/zinc/70/27/27/1296702727.db2.gz JYNAMMILGIIDOX-IGCXYCKISA-N 1 0 332.375 3.377 10 5 EGBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000872073579 1296719160 /nfs/dbraw/zinc/71/91/60/1296719160.db2.gz SAJOPLHTAZHJPK-PCBIJLKTSA-N 1 0 349.406 3.032 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000872090653 1296728836 /nfs/dbraw/zinc/72/88/36/1296728836.db2.gz DMPRNJUFUZJARS-NOCZFLDPSA-N 1 0 334.441 3.391 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151474 1296770850 /nfs/dbraw/zinc/77/08/50/1296770850.db2.gz KYFLGDHFSJFVCO-MISXGVKJSA-N 1 0 331.338 3.033 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000882120577 1301838344 /nfs/dbraw/zinc/83/83/44/1301838344.db2.gz XMEQTCJXMXWNCL-ZBFHGGJFSA-N 1 0 343.427 3.251 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000882395711 1301946443 /nfs/dbraw/zinc/94/64/43/1301946443.db2.gz XRWZTDRCITURTH-ZDUSSCGKSA-N 1 0 331.416 3.108 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882511262 1301999093 /nfs/dbraw/zinc/99/90/93/1301999093.db2.gz OGUPZJITYJGXKZ-CCEZHUSRSA-N 1 0 343.427 3.085 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886332078 1303437175 /nfs/dbraw/zinc/43/71/75/1303437175.db2.gz OQQSCIXRTWNYQF-KLXVXTNISA-N 1 0 346.427 3.314 10 5 EGBERO C/C(=C/C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000889827121 1304599220 /nfs/dbraw/zinc/59/92/20/1304599220.db2.gz BDPQPGWHYVYCPS-YPKPFQOOSA-N 1 0 343.427 3.131 10 5 EGBERO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(F)c1OC ZINC000894679982 1309017030 /nfs/dbraw/zinc/01/70/30/1309017030.db2.gz WVAXYCFPZSWZLC-UHFFFAOYSA-N 1 0 348.374 3.426 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3CF)C2)nc1 ZINC000929985288 1328757190 /nfs/dbraw/zinc/75/71/90/1328757190.db2.gz BBNRXGYWNSLECB-HNNXBMFYSA-N 1 0 330.363 3.146 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858509826 1328784227 /nfs/dbraw/zinc/78/42/27/1328784227.db2.gz SPBJDXDRNVSYHL-YOEHRIQHSA-N 1 0 330.384 3.214 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1Cl ZINC000913389802 1319022544 /nfs/dbraw/zinc/02/25/44/1319022544.db2.gz MBXUJTHIFMHQLX-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000930236503 1328818062 /nfs/dbraw/zinc/81/80/62/1328818062.db2.gz XIFJZKORMUPXDC-URLQWDBASA-N 1 0 344.411 3.120 10 5 EGBERO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859478917 1328996832 /nfs/dbraw/zinc/99/68/32/1328996832.db2.gz CABORPKXCDUZDX-UHFFFAOYSA-N 1 0 329.400 3.162 10 5 EGBERO Cc1c(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922691991 1322592298 /nfs/dbraw/zinc/59/22/98/1322592298.db2.gz OTDKMCSHGYUUFV-GXTWGEPZSA-N 1 0 332.322 3.493 10 5 EGBERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922691992 1322592665 /nfs/dbraw/zinc/59/26/65/1322592665.db2.gz OTDKMCSHGYUUFV-JSGCOSHPSA-N 1 0 332.322 3.493 10 5 EGBERO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCO1 ZINC000922817215 1322626489 /nfs/dbraw/zinc/62/64/89/1322626489.db2.gz OCKZNSJDOKRVEL-HNNXBMFYSA-N 1 0 330.331 3.245 10 5 EGBERO CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923425499 1322749575 /nfs/dbraw/zinc/74/95/75/1322749575.db2.gz GSPFFBVJTXCIQR-IRXDYDNUSA-N 1 0 327.384 3.163 10 5 EGBERO CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923425501 1322749959 /nfs/dbraw/zinc/74/99/59/1322749959.db2.gz GSPFFBVJTXCIQR-SJORKVTESA-N 1 0 327.384 3.163 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000925381666 1325136426 /nfs/dbraw/zinc/13/64/26/1325136426.db2.gz ACMTVRKZTZKXNL-OAHLLOKOSA-N 1 0 333.775 3.299 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926913775 1327772968 /nfs/dbraw/zinc/77/29/68/1327772968.db2.gz FRRIZQWYSSFGQH-DRCTWCGVSA-N 1 0 347.337 3.328 10 5 EGBERO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927151474 1327894238 /nfs/dbraw/zinc/89/42/38/1327894238.db2.gz FEEQFOYMKWEAPX-BJZITVGISA-N 1 0 326.396 3.338 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927163744 1327902564 /nfs/dbraw/zinc/90/25/64/1327902564.db2.gz NZPXUBLDZFMYCY-BBRMVZONSA-N 1 0 347.415 3.003 10 5 EGBERO CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CC[N@H+](CC)C1 ZINC000862179754 1329464316 /nfs/dbraw/zinc/46/43/16/1329464316.db2.gz VCBJUCWSYHHTMI-OAHLLOKOSA-N 1 0 341.411 3.304 10 5 EGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866315272 1330095174 /nfs/dbraw/zinc/09/51/74/1330095174.db2.gz RSXISICVNHRNLP-LBPRGKRZSA-N 1 0 348.422 3.238 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CCOCC3)CCC2 ZINC000866532387 1330122521 /nfs/dbraw/zinc/12/25/21/1330122521.db2.gz LTWXRIMFQKFQKH-FUHWJXTLSA-N 1 0 346.427 3.148 10 5 EGBERO COc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)c1 ZINC000867988880 1330236893 /nfs/dbraw/zinc/23/68/93/1330236893.db2.gz WMDZWWOUJHDEOG-INIZCTEOSA-N 1 0 341.367 3.042 10 5 EGBERO Cc1cc(F)cc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000867989564 1330237572 /nfs/dbraw/zinc/23/75/72/1330237572.db2.gz ASQUDOKWERAHNM-INIZCTEOSA-N 1 0 343.358 3.481 10 5 EGBERO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001323503029 1387378633 /nfs/dbraw/zinc/37/86/33/1387378633.db2.gz YDKGAVSXCWEVTJ-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001196595742 1368645030 /nfs/dbraw/zinc/64/50/30/1368645030.db2.gz WLEHDHVOTWBTLQ-SFHVURJKSA-N 1 0 328.416 3.197 10 5 EGBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001198821540 1369121735 /nfs/dbraw/zinc/12/17/35/1369121735.db2.gz SQEFZPMJWKRLMD-ZYSHUDEJSA-N 1 0 329.444 3.464 10 5 EGBERO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC001187662436 1388138944 /nfs/dbraw/zinc/13/89/44/1388138944.db2.gz BPXXPSHANZJCPV-SMDDNHRTSA-N 1 0 330.363 3.300 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)c2ccccc2)c1C ZINC001125559624 1372806517 /nfs/dbraw/zinc/80/65/17/1372806517.db2.gz HXEUVXBEGLBKFL-UHFFFAOYSA-N 1 0 341.411 3.420 10 5 EGBERO Cc1cc(N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001163663113 1383098143 /nfs/dbraw/zinc/09/81/43/1383098143.db2.gz TYMUSJCNBQPLFE-INIZCTEOSA-N 1 0 343.402 3.405 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c(Cl)c1 ZINC001164039608 1383149325 /nfs/dbraw/zinc/14/93/25/1383149325.db2.gz VICCOMCVSLYYPA-OAHLLOKOSA-N 1 0 333.775 3.105 10 5 EGBERO CCO[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC001164103891 1383156763 /nfs/dbraw/zinc/15/67/63/1383156763.db2.gz YOIPYIBXAUBRSR-JTQLQIEISA-N 1 0 336.219 3.280 10 5 EGBERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC001297963909 1383311298 /nfs/dbraw/zinc/31/12/98/1383311298.db2.gz XVWLOBPVWWQDPS-AWEZNQCLSA-N 1 0 347.459 3.449 10 5 EGBERO Cc1cc(Cl)c(C(=O)Nc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001304167590 1383837145 /nfs/dbraw/zinc/83/71/45/1383837145.db2.gz VBRWDCIGGITRTK-UHFFFAOYSA-N 1 0 330.731 3.457 10 5 EGBERO CC[N@H+](CCNc1cccc(Br)c1[N+](=O)[O-])C(C)C ZINC001306957455 1383925586 /nfs/dbraw/zinc/92/55/86/1383925586.db2.gz XYJJEECVAQMALY-UHFFFAOYSA-N 1 0 330.226 3.500 10 5 EGBERO C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001307169979 1383949566 /nfs/dbraw/zinc/94/95/66/1383949566.db2.gz UEQHTNIFAVZECH-OCAPTIKFSA-N 1 0 337.729 3.454 10 5 EGBERO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001308037975 1384077896 /nfs/dbraw/zinc/07/78/96/1384077896.db2.gz AVAABESOZHHBJC-INIZCTEOSA-N 1 0 325.412 3.474 10 5 EGBERO CCCN(CC[NH+]1CCCCC1)Cc1cc([N+](=O)[O-])ccc1OC ZINC001170172695 1384255147 /nfs/dbraw/zinc/25/51/47/1384255147.db2.gz KVLABXRFWNGQHJ-UHFFFAOYSA-N 1 0 335.448 3.301 10 5 EGBERO O=C(C=C1CCC1)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001698626392 1406268153 /nfs/dbraw/zinc/26/81/53/1406268153.db2.gz DMWFECUTDYJXRI-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO CCc1occc1C(=O)N(CC)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320724079 1386702372 /nfs/dbraw/zinc/70/23/72/1386702372.db2.gz DDRXAONUUFAGBE-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330635987 1389478701 /nfs/dbraw/zinc/47/87/01/1389478701.db2.gz HCLBNTDQHANUAZ-QAQDUYKDSA-N 1 0 345.443 3.326 10 5 EGBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001332105751 1389986153 /nfs/dbraw/zinc/98/61/53/1389986153.db2.gz ZXXSKEMXHGITKN-UHFFFAOYSA-N 1 0 333.432 3.035 10 5 EGBERO C[C@@H](C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001349768712 1391364735 /nfs/dbraw/zinc/36/47/35/1391364735.db2.gz ZWKFKNWJKMOGNA-CYBMUJFWSA-N 1 0 333.432 3.077 10 5 EGBERO CCC(=CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)CC ZINC001488822632 1391730576 /nfs/dbraw/zinc/73/05/76/1391730576.db2.gz PLJQAXRCHQIIEM-QAQDUYKDSA-N 1 0 345.443 3.326 10 5 EGBERO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809143 1392170493 /nfs/dbraw/zinc/17/04/93/1392170493.db2.gz ZYCAFUZJCCAADS-PBHICJAKSA-N 1 0 345.443 3.079 10 5 EGBERO Cc1coc(C)c1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479768767 1392376999 /nfs/dbraw/zinc/37/69/99/1392376999.db2.gz LKVONRUCGSTINZ-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479831515 1392417996 /nfs/dbraw/zinc/41/79/96/1392417996.db2.gz PWEQBTOFRQVFBP-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO C=C/C(C)=C/CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691803477 1405516150 /nfs/dbraw/zinc/51/61/50/1405516150.db2.gz HEMJYAKEYDJRPX-QRJGQYNBSA-N 1 0 343.427 3.102 10 5 EGBERO CCC1(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001699328293 1412641712 /nfs/dbraw/zinc/64/17/12/1412641712.db2.gz NBCUWDKSWVUUAK-AATRIKPKSA-N 1 0 345.443 3.327 10 5 EGBERO C[N@H+](CCCNC(=O)/C=C/C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001707367633 1417296896 /nfs/dbraw/zinc/29/68/96/1417296896.db2.gz VKPUSXYRNOKSPR-MDZDMXLPSA-N 1 0 333.432 3.135 10 5 EGBERO CC(C)=CC(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001707472384 1417372331 /nfs/dbraw/zinc/37/23/31/1417372331.db2.gz AKIWWFROYZSBII-UHFFFAOYSA-N 1 0 331.416 3.032 10 5 EGBERO CC(C)CC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713204938 1417775294 /nfs/dbraw/zinc/77/52/94/1417775294.db2.gz NVNSDIWZWVAJLH-IYBDPMFKSA-N 1 0 347.459 3.404 10 5 EGBERO O=C(NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001714323874 1419102384 /nfs/dbraw/zinc/10/23/84/1419102384.db2.gz SMEUJKHEXYDSBN-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)=C1CCCC1 ZINC001716212512 1420568001 /nfs/dbraw/zinc/56/80/01/1420568001.db2.gz LBYQSWRUHMAXQT-UHFFFAOYSA-N 1 0 349.406 3.331 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CCCCCC1 ZINC001716215017 1420568776 /nfs/dbraw/zinc/56/87/76/1420568776.db2.gz QHKHCCAZJXMDJW-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1cscc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001722998464 1424285366 /nfs/dbraw/zinc/28/53/66/1424285366.db2.gz NRHTZEWZRJPRFA-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO O=C(CCC1CCCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723490283 1424439219 /nfs/dbraw/zinc/43/92/19/1424439219.db2.gz DARYJNMQXXBVKS-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO C/C(=C/C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001724842319 1425191876 /nfs/dbraw/zinc/19/18/76/1425191876.db2.gz BBDJKEKQKYWAFY-SQFISAMPSA-N 1 0 345.443 3.231 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C=C1CCC1 ZINC001725139696 1425617139 /nfs/dbraw/zinc/61/71/39/1425617139.db2.gz DEZXJANNDLMTMC-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC[N@H+](CCCNC(=O)c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731300718 1427243218 /nfs/dbraw/zinc/24/32/18/1427243218.db2.gz AZKWINXRBWQPLY-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO CC(C)CC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001731344680 1427282444 /nfs/dbraw/zinc/28/24/44/1427282444.db2.gz UTKHAWWYKPHTIZ-UHFFFAOYSA-N 1 0 333.432 3.064 10 5 EGBERO CC/C(C)=C/C(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001731349275 1427287011 /nfs/dbraw/zinc/28/70/11/1427287011.db2.gz XNEJPBYFJKTUPU-FYWRMAATSA-N 1 0 345.443 3.374 10 5 EGBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 ZINC001734546906 1438142664 /nfs/dbraw/zinc/14/26/64/1438142664.db2.gz PNKMRZIMWHDKGP-UHFFFAOYSA-N 1 0 333.432 3.064 10 5 EGBERO O=[N+]([O-])c1cccnc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000368445357 168356974 /nfs/dbraw/zinc/35/69/74/168356974.db2.gz GSQUTIOYJBPLSU-UHFFFAOYSA-N 1 0 344.337 3.207 10 5 EGBERO CC[C@H](NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000132287105 529521923 /nfs/dbraw/zinc/52/19/23/529521923.db2.gz HBRVAAFJFMIBPZ-RRQGHBQHSA-N 1 0 348.447 3.074 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003327011 210007847 /nfs/dbraw/zinc/00/78/47/210007847.db2.gz QPICZOUGTVPHPE-NSHDSACASA-N 1 0 342.852 3.019 10 5 EGBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183333466 235013991 /nfs/dbraw/zinc/01/39/91/235013991.db2.gz ZBTLAVZVVNPTQT-INIZCTEOSA-N 1 0 343.431 3.024 10 5 EGBERO CC(C)[NH2+]CCOc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000037288859 213139178 /nfs/dbraw/zinc/13/91/78/213139178.db2.gz XBQOKBGMUKJOAX-UHFFFAOYSA-N 1 0 337.601 3.388 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000132205079 223310278 /nfs/dbraw/zinc/31/02/78/223310278.db2.gz WCXBDWVLUSVBFX-QAPCUYQASA-N 1 0 328.412 3.109 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)n1 ZINC000408457053 169178661 /nfs/dbraw/zinc/17/86/61/169178661.db2.gz NGOBZTKGBHGCNX-GFCCVEGCSA-N 1 0 328.363 3.254 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000178192786 144066142 /nfs/dbraw/zinc/06/61/42/144066142.db2.gz GWMBTKYFOGRFSQ-CABCVRRESA-N 1 0 341.415 3.013 10 5 EGBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000336699753 154210387 /nfs/dbraw/zinc/21/03/87/154210387.db2.gz DFZHEUSSURUYSE-CYBMUJFWSA-N 1 0 332.791 3.330 10 5 EGBERO COc1cc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000111398168 162154685 /nfs/dbraw/zinc/15/46/85/162154685.db2.gz VHGCSFNDRVGUHF-UKRRQHHQSA-N 1 0 328.368 3.202 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248653523 163026698 /nfs/dbraw/zinc/02/66/98/163026698.db2.gz URUMJDPJMXVAFN-HIFRSBDPSA-N 1 0 334.420 3.062 10 5 EGBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000340219426 163511787 /nfs/dbraw/zinc/51/17/87/163511787.db2.gz RZRNKCFDELMFOR-LBPRGKRZSA-N 1 0 345.365 3.347 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)c(Cl)c1 ZINC000344362990 164164666 /nfs/dbraw/zinc/16/46/66/164164666.db2.gz SFIKZFGLGBUDNN-UHFFFAOYSA-N 1 0 332.791 3.248 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355220484 166138199 /nfs/dbraw/zinc/13/81/99/166138199.db2.gz LIMPEXOTIKILLO-CABCVRRESA-N 1 0 334.416 3.242 10 5 EGBERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739889 166293837 /nfs/dbraw/zinc/29/38/37/166293837.db2.gz JMFDURFWGAKDOT-RDBSUJKOSA-N 1 0 347.415 3.259 10 5 EGBERO CO[C@@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000359415327 167150740 /nfs/dbraw/zinc/15/07/40/167150740.db2.gz ICMWIJWYZOOYGG-RTBURBONSA-N 1 0 342.395 3.079 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000124174441 222387372 /nfs/dbraw/zinc/38/73/72/222387372.db2.gz GRZOCSIOBXJALM-UHFFFAOYSA-N 1 0 327.384 3.276 10 5 EGBERO CCc1ccc(C(=O)NCCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000174288575 265039835 /nfs/dbraw/zinc/03/98/35/265039835.db2.gz NUFLHGJAQIHINP-UHFFFAOYSA-N 1 0 333.432 3.009 10 5 EGBERO COc1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193716819 266055534 /nfs/dbraw/zinc/05/55/34/266055534.db2.gz HWUQXPVQCHAEHJ-UHFFFAOYSA-N 1 0 326.396 3.247 10 5 EGBERO C[C@H](CC[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000222082236 266196793 /nfs/dbraw/zinc/19/67/93/266196793.db2.gz WQHIUAJOFCGTHP-SNVBAGLBSA-N 1 0 329.422 3.049 10 5 EGBERO C[C@@H]([NH3+])CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000063171469 274236169 /nfs/dbraw/zinc/23/61/69/274236169.db2.gz RMJGWKFZJNNYHX-MRVPVSSYSA-N 1 0 339.193 3.055 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000130440265 274759668 /nfs/dbraw/zinc/75/96/68/274759668.db2.gz VHLQCJUYXXLHRD-NSHDSACASA-N 1 0 335.335 3.315 10 5 EGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000048505783 275146568 /nfs/dbraw/zinc/14/65/68/275146568.db2.gz KIFSXBSZOAWAMD-LLVKDONJSA-N 1 0 328.210 3.254 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414344574 309074042 /nfs/dbraw/zinc/07/40/42/309074042.db2.gz RPYWLMDWPZRJSW-ONIAQPFYSA-N 1 0 332.444 3.447 10 5 EGBERO O=C(NCCCCC[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000293860756 308168755 /nfs/dbraw/zinc/16/87/55/308168755.db2.gz HAUIGQOHWXUJKT-UHFFFAOYSA-N 1 0 344.415 3.072 10 5 EGBERO Cc1cc([N+](=O)[O-])cn(Cc2cccc(C[NH+]3CCCCC3)c2)c1=O ZINC000413002307 309011590 /nfs/dbraw/zinc/01/15/90/309011590.db2.gz RPCQIEXZBWWKGI-UHFFFAOYSA-N 1 0 341.411 3.099 10 5 EGBERO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000415704214 309141485 /nfs/dbraw/zinc/14/14/85/309141485.db2.gz RRPCXRZPURNIPE-KZULUSFZSA-N 1 0 348.447 3.341 10 5 EGBERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415709375 309141589 /nfs/dbraw/zinc/14/15/89/309141589.db2.gz YGKFZZKJAQJSAX-VXGBXAGGSA-N 1 0 334.420 3.093 10 5 EGBERO COc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCC[NH2+]2)cc1 ZINC000422948230 309377697 /nfs/dbraw/zinc/37/76/97/309377697.db2.gz QYDAFIZRTHYFFK-IEBWSBKVSA-N 1 0 341.411 3.186 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000431076225 309625021 /nfs/dbraw/zinc/62/50/21/309625021.db2.gz DKCQEOCCOORJAY-WLIAPVHPSA-N 1 0 331.416 3.399 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000449185954 310042996 /nfs/dbraw/zinc/04/29/96/310042996.db2.gz BMFDLZINZOFBMS-ZFWWWQNUSA-N 1 0 334.807 3.371 10 5 EGBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429887 310061304 /nfs/dbraw/zinc/06/13/04/310061304.db2.gz VIEPXGVAWRRBMV-XJKSGUPXSA-N 1 0 347.440 3.311 10 5 EGBERO CCCc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000449610419 310075297 /nfs/dbraw/zinc/07/52/97/310075297.db2.gz GMYPYUAKOVFAJX-LBPRGKRZSA-N 1 0 346.387 3.042 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCCC2 ZINC000450962672 310152250 /nfs/dbraw/zinc/15/22/50/310152250.db2.gz CIDGFQJYJNCHMP-IAGOWNOFSA-N 1 0 334.416 3.431 10 5 EGBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272910 310169168 /nfs/dbraw/zinc/16/91/68/310169168.db2.gz VKGSWQMMNJQWSV-HZMBPMFUSA-N 1 0 332.322 3.206 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000451340542 310172784 /nfs/dbraw/zinc/17/27/84/310172784.db2.gz JORMSSRVXLMJLZ-IMJJTQAJSA-N 1 0 345.399 3.252 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)nc2c1 ZINC000451340540 310172856 /nfs/dbraw/zinc/17/28/56/310172856.db2.gz JORMSSRVXLMJLZ-BMFZPTHFSA-N 1 0 345.399 3.252 10 5 EGBERO CCCC[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488063901 311049625 /nfs/dbraw/zinc/04/96/25/311049625.db2.gz KOXDHADVWCUMTH-UHFFFAOYSA-N 1 0 328.416 3.241 10 5 EGBERO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000489605745 311114057 /nfs/dbraw/zinc/11/40/57/311114057.db2.gz MHVUQLKSPWFYTM-UHFFFAOYSA-N 1 0 330.359 3.343 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751216 311287090 /nfs/dbraw/zinc/28/70/90/311287090.db2.gz RYRXPXRNJFQOMN-HZPDHXFCSA-N 1 0 334.416 3.242 10 5 EGBERO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000536754117 314143813 /nfs/dbraw/zinc/14/38/13/314143813.db2.gz JOBPPWBMOKBCQJ-APWZRJJASA-N 1 0 342.395 3.471 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000553888880 315286839 /nfs/dbraw/zinc/28/68/39/315286839.db2.gz MDFGVWLJDCFWDJ-INIZCTEOSA-N 1 0 346.814 3.210 10 5 EGBERO CC(=O)c1ccc(OCc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000568637593 316801857 /nfs/dbraw/zinc/80/18/57/316801857.db2.gz SXHHCVHGPCZVIR-UHFFFAOYSA-N 1 0 326.352 3.022 10 5 EGBERO CC[NH+](CC)C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000572031202 317281876 /nfs/dbraw/zinc/28/18/76/317281876.db2.gz HBXNQXOHMJAOBI-AWEZNQCLSA-N 1 0 332.448 3.037 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1Br ZINC000230315400 456135074 /nfs/dbraw/zinc/13/50/74/456135074.db2.gz CHCRUDBZIAZZNP-TZMCWYRMSA-N 1 0 341.205 3.014 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000581677151 325382480 /nfs/dbraw/zinc/38/24/80/325382480.db2.gz RYBFSIFSAKPFCQ-IAGOWNOFSA-N 1 0 339.395 3.049 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000183308803 455275859 /nfs/dbraw/zinc/27/58/59/455275859.db2.gz QLUURERDRVVGLJ-SFHVURJKSA-N 1 0 334.416 3.063 10 5 EGBERO O=[N+]([O-])c1cnccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000066812058 453876342 /nfs/dbraw/zinc/87/63/42/453876342.db2.gz TZUAGWMJMKKOEA-UHFFFAOYSA-N 1 0 340.427 3.135 10 5 EGBERO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1C ZINC000089580702 454163439 /nfs/dbraw/zinc/16/34/39/454163439.db2.gz PHHPPIZIMHWNLG-MRXNPFEDSA-N 1 0 332.404 3.065 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000058130471 454164185 /nfs/dbraw/zinc/16/41/85/454164185.db2.gz IDCHFBIMNVRVMF-MLGOLLRUSA-N 1 0 339.823 3.161 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000090010589 454262043 /nfs/dbraw/zinc/26/20/43/454262043.db2.gz JYAWJIWAGLLSLT-QGZVFWFLSA-N 1 0 328.416 3.279 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120267431 454281089 /nfs/dbraw/zinc/28/10/89/454281089.db2.gz COFUIRLITHVMNE-ZIAGYGMSSA-N 1 0 334.420 3.158 10 5 EGBERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000120438442 454302930 /nfs/dbraw/zinc/30/29/30/454302930.db2.gz SOBYWSUSDNYGCT-CYBMUJFWSA-N 1 0 327.384 3.447 10 5 EGBERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090666253 454334865 /nfs/dbraw/zinc/33/48/65/454334865.db2.gz ZWATVRMCYKOMCD-SECBINFHSA-N 1 0 328.294 3.198 10 5 EGBERO COc1cc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000122167074 454511870 /nfs/dbraw/zinc/51/18/70/454511870.db2.gz VCJAHACDOWLYQZ-UHFFFAOYSA-N 1 0 337.395 3.055 10 5 EGBERO CC[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176707629 454774145 /nfs/dbraw/zinc/77/41/45/454774145.db2.gz YUPCVAGZNSGIDB-RHSMWYFYSA-N 1 0 348.447 3.029 10 5 EGBERO Cc1c(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000153796460 454834969 /nfs/dbraw/zinc/83/49/69/454834969.db2.gz JBXWBFNBSYKWBF-OAHLLOKOSA-N 1 0 347.459 3.276 10 5 EGBERO COC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000170593938 454936864 /nfs/dbraw/zinc/93/68/64/454936864.db2.gz BVGPOGKYVBGHSS-SNVBAGLBSA-N 1 0 341.795 3.130 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000178353184 454951595 /nfs/dbraw/zinc/95/15/95/454951595.db2.gz NLJCRGRFNZFEHS-NSHGMRRFSA-N 1 0 338.407 3.164 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151422914 454983098 /nfs/dbraw/zinc/98/30/98/454983098.db2.gz QBJZXAZBUNOAOG-DOMZBBRYSA-N 1 0 342.848 3.393 10 5 EGBERO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC000116231033 455049019 /nfs/dbraw/zinc/04/90/19/455049019.db2.gz NHHDREAMSZTUFI-MRXNPFEDSA-N 1 0 346.431 3.172 10 5 EGBERO O=[N+]([O-])c1cc(Cl)cnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180045041 455122035 /nfs/dbraw/zinc/12/20/35/455122035.db2.gz MXALPMOOABHHQV-UHFFFAOYSA-N 1 0 347.806 3.367 10 5 EGBERO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000182962119 455199692 /nfs/dbraw/zinc/19/96/92/455199692.db2.gz ZDPKGIZZICOKMA-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO CO[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000190912264 455404029 /nfs/dbraw/zinc/40/40/29/455404029.db2.gz GNYXVQNKDPZDCL-IUODEOHRSA-N 1 0 333.413 3.375 10 5 EGBERO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000246313431 455468956 /nfs/dbraw/zinc/46/89/56/455468956.db2.gz QYSYWMRKZZADGF-HZPDHXFCSA-N 1 0 347.440 3.403 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182444900 455515294 /nfs/dbraw/zinc/51/52/94/455515294.db2.gz RVYNJOTZINLACV-ZFWWWQNUSA-N 1 0 348.374 3.133 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247038027 455548559 /nfs/dbraw/zinc/54/85/59/455548559.db2.gz GNHUWKSQDQGBTA-RISCZKNCSA-N 1 0 345.424 3.118 10 5 EGBERO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248123649 455683858 /nfs/dbraw/zinc/68/38/58/455683858.db2.gz UXOSDOSZEOQXDE-WMZOPIPTSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248138203 455687289 /nfs/dbraw/zinc/68/72/89/455687289.db2.gz XZIWBBREKSNVTC-ROUUACIJSA-N 1 0 339.395 3.078 10 5 EGBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000284755727 455737304 /nfs/dbraw/zinc/73/73/04/455737304.db2.gz LTKBFAJUIRKENG-ZDUSSCGKSA-N 1 0 339.823 3.129 10 5 EGBERO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278137004 455767338 /nfs/dbraw/zinc/76/73/38/455767338.db2.gz VKRMTIFCIFXFQF-CQSZACIVSA-N 1 0 349.434 3.117 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285568161 455871378 /nfs/dbraw/zinc/87/13/78/455871378.db2.gz NNVHWVAJWKBSBY-BXUZGUMPSA-N 1 0 332.322 3.435 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195352041 455948359 /nfs/dbraw/zinc/94/83/59/455948359.db2.gz GEXWXAQYDTXSPJ-GFCCVEGCSA-N 1 0 333.413 3.440 10 5 EGBERO COc1cc(C[N@H+](C)Cc2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000352781734 456299672 /nfs/dbraw/zinc/29/96/72/456299672.db2.gz YZWJIWUXRPVNIO-UHFFFAOYSA-N 1 0 329.400 3.301 10 5 EGBERO CN1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000340279197 456357412 /nfs/dbraw/zinc/35/74/12/456357412.db2.gz OTIGVDAKERRBQD-RTBURBONSA-N 1 0 341.411 3.009 10 5 EGBERO C[C@@](CO)([NH2+]Cc1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148507 460730666 /nfs/dbraw/zinc/73/06/66/460730666.db2.gz CQCKZUSQNQTCHR-IBGZPJMESA-N 1 0 326.396 3.470 10 5 EGBERO CC(C)Oc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601148629 460731020 /nfs/dbraw/zinc/73/10/20/460731020.db2.gz FWYXBQKBFADYLE-LJQANCHMSA-N 1 0 344.411 3.379 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000282499407 456533910 /nfs/dbraw/zinc/53/39/10/456533910.db2.gz WONFIQMSRAXIAY-LJQANCHMSA-N 1 0 326.396 3.217 10 5 EGBERO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310279707 456580979 /nfs/dbraw/zinc/58/09/79/456580979.db2.gz VZFFLROGKSNOCC-ZBFHGGJFSA-N 1 0 326.400 3.312 10 5 EGBERO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310279700 456581453 /nfs/dbraw/zinc/58/14/53/456581453.db2.gz VZFFLROGKSNOCC-GDBMZVCRSA-N 1 0 326.400 3.312 10 5 EGBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000310279221 456581800 /nfs/dbraw/zinc/58/18/00/456581800.db2.gz VRPUSMITKVTBDC-SOUVJXGZSA-N 1 0 344.440 3.374 10 5 EGBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000353281518 456608163 /nfs/dbraw/zinc/60/81/63/456608163.db2.gz KJHVJBNEVQCDNJ-MRXNPFEDSA-N 1 0 326.400 3.091 10 5 EGBERO CN(c1c2ccccc2ncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291936477 456803596 /nfs/dbraw/zinc/80/35/96/456803596.db2.gz MPPXWWPJSURITQ-PBWFPOADSA-N 1 0 326.400 3.204 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCc3cn(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000345005330 456894483 /nfs/dbraw/zinc/89/44/83/456894483.db2.gz AWRZNAZZYUUVEO-OAHLLOKOSA-N 1 0 344.415 3.028 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342226474 457179026 /nfs/dbraw/zinc/17/90/26/457179026.db2.gz QOVNFZMVOVTPMA-GHMZBOCLSA-N 1 0 335.433 3.274 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000342282059 457210511 /nfs/dbraw/zinc/21/05/11/457210511.db2.gz NROMNMHKTCLSFM-NEPJUHHUSA-N 1 0 334.372 3.376 10 5 EGBERO COc1ccccc1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000355352948 457362703 /nfs/dbraw/zinc/36/27/03/457362703.db2.gz IDQIIFCLUURDDW-UHFFFAOYSA-N 1 0 330.384 3.287 10 5 EGBERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012522 457495074 /nfs/dbraw/zinc/49/50/74/457495074.db2.gz DNAXGAIZADQECV-YOEHRIQHSA-N 1 0 326.400 3.312 10 5 EGBERO Cc1sc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000357879168 457721822 /nfs/dbraw/zinc/72/18/22/457721822.db2.gz JZNSKFICRFKJCE-MEDUHNTESA-N 1 0 339.461 3.205 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458222877 457976131 /nfs/dbraw/zinc/97/61/31/457976131.db2.gz QWOXNBWBNXPUPW-GFCCVEGCSA-N 1 0 339.823 3.018 10 5 EGBERO COc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447603566 458320824 /nfs/dbraw/zinc/32/08/24/458320824.db2.gz WYOMOOFMCURRCK-GJZGRUSLSA-N 1 0 348.378 3.213 10 5 EGBERO Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946774 458581762 /nfs/dbraw/zinc/58/17/62/458581762.db2.gz HWLYPHTVBAGRDQ-HZMBPMFUSA-N 1 0 331.338 3.308 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000441615089 458964154 /nfs/dbraw/zinc/96/41/54/458964154.db2.gz YUNZPUAEQZCZDK-UHFFFAOYSA-N 1 0 345.399 3.191 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000531955543 459006943 /nfs/dbraw/zinc/00/69/43/459006943.db2.gz WSZAZFWMSMSHNY-GJZGRUSLSA-N 1 0 341.415 3.013 10 5 EGBERO COC1CCC(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531979340 459011033 /nfs/dbraw/zinc/01/10/33/459011033.db2.gz BPNFVWPZDYQMDF-CBCUQQMYSA-N 1 0 349.431 3.107 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512053 459070868 /nfs/dbraw/zinc/07/08/68/459070868.db2.gz SUMNBZVNHILRKT-LVQVYYBASA-N 1 0 335.448 3.052 10 5 EGBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594522014 459078879 /nfs/dbraw/zinc/07/88/79/459078879.db2.gz WWUKOFNVFJCIDD-XOKHGSTOSA-N 1 0 349.431 3.249 10 5 EGBERO CC(C)[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000578360991 459189372 /nfs/dbraw/zinc/18/93/72/459189372.db2.gz OMTDPEPDBKACAS-KSSFIOAISA-N 1 0 331.416 3.412 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@H](O)C34CCC4)cs2)c1 ZINC000594985868 459204887 /nfs/dbraw/zinc/20/48/87/459204887.db2.gz BKBXOABPAHJRJI-CABCVRRESA-N 1 0 345.424 3.111 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000595044833 459226644 /nfs/dbraw/zinc/22/66/44/459226644.db2.gz FXYBPRHYYVKODK-KZULUSFZSA-N 1 0 334.416 3.459 10 5 EGBERO CC[C@H]([NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595061766 459231524 /nfs/dbraw/zinc/23/15/24/459231524.db2.gz MRUNVMZTJMVYOH-LEUOFYLZSA-N 1 0 336.432 3.202 10 5 EGBERO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595062949 459233511 /nfs/dbraw/zinc/23/35/11/459233511.db2.gz BHGCOEOCLIYDBJ-ROUUACIJSA-N 1 0 348.443 3.348 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC000595074864 459238261 /nfs/dbraw/zinc/23/82/61/459238261.db2.gz WKXGMGSVEWKNCK-SUMWQHHRSA-N 1 0 339.395 3.142 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595080571 459239567 /nfs/dbraw/zinc/23/95/67/459239567.db2.gz NCKICMHTRRMBKJ-ABAIWWIYSA-N 1 0 341.358 3.337 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000595087307 459240395 /nfs/dbraw/zinc/24/03/95/459240395.db2.gz RAXQZRKOXZUUTA-QRTARXTBSA-N 1 0 328.416 3.390 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595233842 459260560 /nfs/dbraw/zinc/26/05/60/459260560.db2.gz VROVTJMWOLYSAC-OAHLLOKOSA-N 1 0 346.431 3.147 10 5 EGBERO CC(C)(NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000595253079 459262687 /nfs/dbraw/zinc/26/26/87/459262687.db2.gz LZHGQMUGQNYRKX-QGZVFWFLSA-N 1 0 339.395 3.181 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CCO)CCCC3)co2)cc1 ZINC000595509764 459330753 /nfs/dbraw/zinc/33/07/53/459330753.db2.gz UYXARIDECVXVKP-UHFFFAOYSA-N 1 0 331.372 3.035 10 5 EGBERO O=C(CC[NH2+][C@@H]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000561576191 459466312 /nfs/dbraw/zinc/46/63/12/459466312.db2.gz OHGQCOJLRVJDCH-MRXNPFEDSA-N 1 0 339.395 3.071 10 5 EGBERO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596082912 459513626 /nfs/dbraw/zinc/51/36/26/459513626.db2.gz PXHYGGVBMUMEFW-MNOVXSKESA-N 1 0 325.796 3.296 10 5 EGBERO CC[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000592133594 459531665 /nfs/dbraw/zinc/53/16/65/459531665.db2.gz YHTDJJOELGOPLJ-ULQDDVLXSA-N 1 0 336.432 3.125 10 5 EGBERO COc1cc(NC[C@]2([NH+](C)C)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000596149341 459537506 /nfs/dbraw/zinc/53/75/06/459537506.db2.gz LYSUPIGIFGIEHU-CQSZACIVSA-N 1 0 345.852 3.106 10 5 EGBERO CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000583559561 459558621 /nfs/dbraw/zinc/55/86/21/459558621.db2.gz BILFPJGNRPMMQO-QGZVFWFLSA-N 1 0 344.411 3.248 10 5 EGBERO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392420 459588294 /nfs/dbraw/zinc/58/82/94/459588294.db2.gz SUNZRTXPPBRBEL-MNOVXSKESA-N 1 0 329.347 3.193 10 5 EGBERO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392391 459588832 /nfs/dbraw/zinc/58/88/32/459588832.db2.gz QMEUITKUARRHET-IAQYHMDHSA-N 1 0 338.358 3.299 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592426714 459598488 /nfs/dbraw/zinc/59/84/88/459598488.db2.gz PFFCJQNULCPEPS-OAHLLOKOSA-N 1 0 332.404 3.008 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593112350 459776067 /nfs/dbraw/zinc/77/60/67/459776067.db2.gz GOSVLLGPJOJVTB-UHFFFAOYSA-N 1 0 340.305 3.089 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000608836133 459888900 /nfs/dbraw/zinc/88/89/00/459888900.db2.gz RBBIOGDWMYHZNV-ZDUSSCGKSA-N 1 0 345.399 3.047 10 5 EGBERO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593718837 459962407 /nfs/dbraw/zinc/96/24/07/459962407.db2.gz QGPJLJJECRYVMS-SDDRHHMPSA-N 1 0 345.424 3.238 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000593724869 459966203 /nfs/dbraw/zinc/96/62/03/459966203.db2.gz AAEJFFHGZHVGJD-CXAGYDPISA-N 1 0 341.411 3.330 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000588933904 460006964 /nfs/dbraw/zinc/00/69/64/460006964.db2.gz PINTYECLZDUJCO-ZDUSSCGKSA-N 1 0 336.750 3.481 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000589496347 460095303 /nfs/dbraw/zinc/09/53/03/460095303.db2.gz RBXZGPNMCOEFCL-INIZCTEOSA-N 1 0 340.379 3.371 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000598984777 460117215 /nfs/dbraw/zinc/11/72/15/460117215.db2.gz ATRPKBHYUFKWTE-LLVKDONJSA-N 1 0 330.331 3.103 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000599058234 460143764 /nfs/dbraw/zinc/14/37/64/460143764.db2.gz TTZVELPVRSBHRC-CXHZTBPHSA-N 1 0 340.427 3.444 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599092076 460158959 /nfs/dbraw/zinc/15/89/59/460158959.db2.gz FBHIXQYUNULPOS-DLBZAZTESA-N 1 0 331.416 3.179 10 5 EGBERO CCC(C)(C)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599100093 460162152 /nfs/dbraw/zinc/16/21/52/460162152.db2.gz JRPIKDMZXULRIW-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO COc1cc(NC[C@@H]2CCCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599140259 460172731 /nfs/dbraw/zinc/17/27/31/460172731.db2.gz AOWGRHZWGVFCCU-NSHDSACASA-N 1 0 327.812 3.401 10 5 EGBERO COC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000599166594 460184448 /nfs/dbraw/zinc/18/44/48/460184448.db2.gz YKHKJWPHPRZGDX-HNNXBMFYSA-N 1 0 347.415 3.119 10 5 EGBERO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599675139 460305063 /nfs/dbraw/zinc/30/50/63/460305063.db2.gz OXGAQMRTJKBWLP-GUYCJALGSA-N 1 0 328.372 3.409 10 5 EGBERO CCOc1cc(Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000611297145 460331703 /nfs/dbraw/zinc/33/17/03/460331703.db2.gz LRAKSXZTHMZPPI-UHFFFAOYSA-N 1 0 325.328 3.318 10 5 EGBERO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000611375100 460348240 /nfs/dbraw/zinc/34/82/40/460348240.db2.gz ZGXZGTZOGIEBHH-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)o1 ZINC000600209043 460440352 /nfs/dbraw/zinc/44/03/52/460440352.db2.gz WPEBGWGGOGBYIV-IFXJQAMLSA-N 1 0 342.395 3.449 10 5 EGBERO CC1(C)CC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC(C)(C)[NH2+]1 ZINC000604546389 460444333 /nfs/dbraw/zinc/44/43/33/460444333.db2.gz LABFYGHROQHFEW-UHFFFAOYSA-N 1 0 344.415 3.115 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000654069053 462019855 /nfs/dbraw/zinc/01/98/55/462019855.db2.gz VFLBXMBZTLIPGM-FZNQNYSPSA-N 1 0 333.435 3.458 10 5 EGBERO CC[NH+](CC)CCSCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174025327 528164338 /nfs/dbraw/zinc/16/43/38/528164338.db2.gz HMSPJERUPGMWFK-UHFFFAOYSA-N 1 0 336.417 3.220 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1F ZINC000187764233 536808153 /nfs/dbraw/zinc/80/81/53/536808153.db2.gz IBMQOBYQFXVZCF-CABCVRRESA-N 1 0 348.378 3.213 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000871356132 1296365495 /nfs/dbraw/zinc/36/54/95/1296365495.db2.gz FCOVSIDTXOVQML-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049235 1296699703 /nfs/dbraw/zinc/69/97/03/1296699703.db2.gz RBIZQJLJFYPPLZ-QWHCGFSZSA-N 1 0 338.379 3.113 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062951 1296709187 /nfs/dbraw/zinc/70/91/87/1296709187.db2.gz RHKPJYKTIRDYLM-DZGCQCFKSA-N 1 0 332.375 3.378 10 5 EGBERO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CCOC1 ZINC000872085043 1296725156 /nfs/dbraw/zinc/72/51/56/1296725156.db2.gz MRUSULHCSOSPGD-LALPHHSUSA-N 1 0 340.445 3.019 10 5 EGBERO COC[C@@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872085580 1296725395 /nfs/dbraw/zinc/72/53/95/1296725395.db2.gz PJCKUXMKLAPSHO-DGCLKSJQSA-N 1 0 328.434 3.019 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089377 1296727302 /nfs/dbraw/zinc/72/73/02/1296727302.db2.gz XWPBPLMJAPMLCX-NEPJUHHUSA-N 1 0 337.395 3.032 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872279984 1296889686 /nfs/dbraw/zinc/88/96/86/1296889686.db2.gz IFPCEOXRJUMTHW-ZWKOTPCHSA-N 1 0 334.416 3.052 10 5 EGBERO COc1cccc(NCC2C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000716220910 1298294351 /nfs/dbraw/zinc/29/43/51/1298294351.db2.gz CEJAEUAUVKIXFE-UHFFFAOYSA-N 1 0 327.384 3.147 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CC=CC[C@H]3C(F)(F)F)nc2c1 ZINC000879672084 1300668893 /nfs/dbraw/zinc/66/88/93/1300668893.db2.gz NMTDXDDRVCSHAI-GHMZBOCLSA-N 1 0 340.305 3.458 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000882000506 1301779760 /nfs/dbraw/zinc/77/97/60/1301779760.db2.gz AGODOLAJZHDAFT-HNNXBMFYSA-N 1 0 331.416 3.252 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883270480 1302347466 /nfs/dbraw/zinc/34/74/66/1302347466.db2.gz PCKQDKMDLDPVHN-ROOCWEIGSA-N 1 0 330.384 3.032 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886332079 1303437502 /nfs/dbraw/zinc/43/75/02/1303437502.db2.gz OQQSCIXRTWNYQF-SNIQODSTSA-N 1 0 346.427 3.314 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886678304 1303555101 /nfs/dbraw/zinc/55/51/01/1303555101.db2.gz AYBXREPDNWNVLH-KDOFPFPSSA-N 1 0 346.402 3.248 10 5 EGBERO Cc1sc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000893027580 1305668430 /nfs/dbraw/zinc/66/84/30/1305668430.db2.gz WSQLEOINVVBTBT-YPMHNXCESA-N 1 0 339.461 3.300 10 5 EGBERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000930593088 1328907310 /nfs/dbraw/zinc/90/73/10/1328907310.db2.gz CLSAXHRRYHCCHC-GZMMTYOYSA-N 1 0 342.264 3.194 10 5 EGBERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859187219 1328941065 /nfs/dbraw/zinc/94/10/65/1328941065.db2.gz ZKSNXYOESNEONW-OAHLLOKOSA-N 1 0 341.411 3.304 10 5 EGBERO Cc1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922678496 1322587023 /nfs/dbraw/zinc/58/70/23/1322587023.db2.gz KRBQNYIRAWYOPT-TZMCWYRMSA-N 1 0 332.322 3.493 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859900598 1329108425 /nfs/dbraw/zinc/10/84/25/1329108425.db2.gz CYQJTXYKVGJNJY-LSDHHAIUSA-N 1 0 341.411 3.351 10 5 EGBERO CC(C)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113185 1325433678 /nfs/dbraw/zinc/43/36/78/1325433678.db2.gz MYXUGIIHWPESGI-HUUCEWRRSA-N 1 0 326.824 3.441 10 5 EGBERO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860825747 1329359710 /nfs/dbraw/zinc/35/97/10/1329359710.db2.gz OUOHNHATFFWDMF-UHFFFAOYSA-N 1 0 339.395 3.130 10 5 EGBERO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926848166 1327740143 /nfs/dbraw/zinc/74/01/43/1327740143.db2.gz AVJWAMXVMYUNLH-UWVGGRQHSA-N 1 0 343.221 3.118 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1[N+](=O)[O-] ZINC000926940493 1327786156 /nfs/dbraw/zinc/78/61/56/1327786156.db2.gz OTJOHDFJXSWSBM-HNKHHVNMSA-N 1 0 332.400 3.235 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000928013057 1328171920 /nfs/dbraw/zinc/17/19/20/1328171920.db2.gz RLQLKULOBHYSQZ-UHFFFAOYSA-N 1 0 349.406 3.261 10 5 EGBERO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862137101 1329461127 /nfs/dbraw/zinc/46/11/27/1329461127.db2.gz CZYJAVQXPOMQLG-UHFFFAOYSA-N 1 0 341.411 3.306 10 5 EGBERO O=C1N(C[N@@H+]2CCCC3(CC3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000863331460 1329547194 /nfs/dbraw/zinc/54/71/94/1329547194.db2.gz MRUXCPYDCCZTMD-UHFFFAOYSA-N 1 0 344.415 3.060 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865779255 1329737703 /nfs/dbraw/zinc/73/77/03/1329737703.db2.gz FVPZTMDESXIESQ-DWCFMXGVSA-N 1 0 346.427 3.173 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208657 1330078394 /nfs/dbraw/zinc/07/83/94/1330078394.db2.gz WBWZYHCBCXAPHS-CMPLNLGQSA-N 1 0 329.322 3.144 10 5 EGBERO C[C@@H](O)[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000866392984 1330105690 /nfs/dbraw/zinc/10/56/90/1330105690.db2.gz KCKMTOVQNKPBGJ-SNUQEOBHSA-N 1 0 332.375 3.377 10 5 EGBERO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC001190628077 1367311336 /nfs/dbraw/zinc/31/13/36/1367311336.db2.gz QAHUSDCAHWOUNN-UHFFFAOYSA-N 1 0 335.423 3.432 10 5 EGBERO CCO[C@H]1C[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821518 1367602013 /nfs/dbraw/zinc/60/20/13/1367602013.db2.gz NZRGHQOQUGGVCL-GJZGRUSLSA-N 1 0 338.452 3.015 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001196253408 1368577146 /nfs/dbraw/zinc/57/71/46/1368577146.db2.gz DJMHGJGGVFXVFU-OAHLLOKOSA-N 1 0 332.400 3.394 10 5 EGBERO O=C(CN1CCC[C@H](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197201797 1368763223 /nfs/dbraw/zinc/76/32/23/1368763223.db2.gz IWAQMTIQHZBSGX-HNNXBMFYSA-N 1 0 331.416 3.436 10 5 EGBERO COC(=O)C(C)(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001197326185 1368788442 /nfs/dbraw/zinc/78/84/42/1368788442.db2.gz OBYIQNAIMNYOGO-UHFFFAOYSA-N 1 0 336.432 3.295 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266013678 1377175604 /nfs/dbraw/zinc/17/56/04/1377175604.db2.gz GJMXIEFEKVDOMD-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001136732737 1377418850 /nfs/dbraw/zinc/41/88/50/1377418850.db2.gz DXOKLIVYIJIJAT-NXHRZFHOSA-N 1 0 345.443 3.079 10 5 EGBERO CC/C(C)=C/C(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001283306794 1378795236 /nfs/dbraw/zinc/79/52/36/1378795236.db2.gz HDHCITCIBLLUDS-FYWRMAATSA-N 1 0 345.443 3.374 10 5 EGBERO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC001162356114 1382739170 /nfs/dbraw/zinc/73/91/70/1382739170.db2.gz QWKBFWVBNNFXIQ-AWEZNQCLSA-N 1 0 342.443 3.487 10 5 EGBERO C[N@@H+]1C[C@@H]2CN(c3c4cccc(Cl)c4ncc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001164261646 1383172512 /nfs/dbraw/zinc/17/25/12/1383172512.db2.gz VVBUSDWPMUADDC-DIFFPNOSSA-N 1 0 346.818 3.184 10 5 EGBERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC001297963911 1383311375 /nfs/dbraw/zinc/31/13/75/1383311375.db2.gz XVWLOBPVWWQDPS-CQSZACIVSA-N 1 0 347.459 3.449 10 5 EGBERO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001299306449 1383505213 /nfs/dbraw/zinc/50/52/13/1383505213.db2.gz MWEGLQIRFQWDEL-UHFFFAOYSA-N 1 0 346.362 3.090 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001306942548 1383923850 /nfs/dbraw/zinc/92/38/50/1383923850.db2.gz UXIGDPOUNSOTDP-MELADBBJSA-N 1 0 349.431 3.160 10 5 EGBERO Cn1cc([N+](=O)[O-])c(NCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001307176511 1383951162 /nfs/dbraw/zinc/95/11/62/1383951162.db2.gz AYJPTIBYYPFJKI-UHFFFAOYSA-N 1 0 343.431 3.043 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1CCC[C@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634013 1384006123 /nfs/dbraw/zinc/00/61/23/1384006123.db2.gz UHXLLLTUWAJMTE-OKZBNKHCSA-N 1 0 334.416 3.364 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CCCC2 ZINC001307998357 1384071638 /nfs/dbraw/zinc/07/16/38/1384071638.db2.gz MVOIGTHDCMBYKM-IYOUNJFTSA-N 1 0 331.416 3.482 10 5 EGBERO CCOc1cc(C[NH2+][C@@H](CC(=O)OC)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001308106106 1384094446 /nfs/dbraw/zinc/09/44/46/1384094446.db2.gz LWKNDOMZEFLQQK-HNNXBMFYSA-N 1 0 338.404 3.061 10 5 EGBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC001308150793 1384101406 /nfs/dbraw/zinc/10/14/06/1384101406.db2.gz JMMANLYZFDZOER-WMZOPIPTSA-N 1 0 335.423 3.429 10 5 EGBERO O=C(C[NH+]1CCCCCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001170342553 1384295153 /nfs/dbraw/zinc/29/51/53/1384295153.db2.gz PIBCSEZHDGGQDA-UHFFFAOYSA-N 1 0 331.416 3.140 10 5 EGBERO C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC001176027851 1385464689 /nfs/dbraw/zinc/46/46/89/1385464689.db2.gz FDRDVLLOTLGLSF-CYBMUJFWSA-N 1 0 344.367 3.443 10 5 EGBERO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC001176797693 1385703513 /nfs/dbraw/zinc/70/35/13/1385703513.db2.gz DCHNYKGJEKMTGF-JKSUJKDBSA-N 1 0 331.416 3.434 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001176871499 1385728105 /nfs/dbraw/zinc/72/81/05/1385728105.db2.gz MKYXGIAQVZVDGV-CRAIPNDOSA-N 1 0 346.814 3.284 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001180535065 1386830044 /nfs/dbraw/zinc/83/00/44/1386830044.db2.gz VXXRUIFZVZRBQQ-WMZOPIPTSA-N 1 0 345.443 3.238 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1-c1nnc([C@@H](C)C[NH+]2CCC(C)CC2)o1 ZINC001341579407 1390505492 /nfs/dbraw/zinc/50/54/92/1390505492.db2.gz HWEWLLGQZIVEHJ-LBPRGKRZSA-N 1 0 345.403 3.184 10 5 EGBERO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001347890124 1391142118 /nfs/dbraw/zinc/14/21/18/1391142118.db2.gz MNZVJELKXOYVAE-LZWOXQAQSA-N 1 0 346.431 3.097 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001353496655 1392023692 /nfs/dbraw/zinc/02/36/92/1392023692.db2.gz IFMMKLPRALESNJ-NSHDSACASA-N 1 0 327.812 3.098 10 5 EGBERO C[N@H+](CCCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001479767148 1392376457 /nfs/dbraw/zinc/37/64/57/1392376457.db2.gz HMLAXVFZVNDJHZ-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)coc1C ZINC001699179647 1412555899 /nfs/dbraw/zinc/55/58/99/1412555899.db2.gz ZSEDYZFBRFUTMV-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC001732918086 1429046660 /nfs/dbraw/zinc/04/66/60/1429046660.db2.gz IISCNSKKCHJXPQ-SNAWJCMRSA-N 1 0 349.406 3.029 10 5 EGBERO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001713172118 1417745333 /nfs/dbraw/zinc/74/53/33/1417745333.db2.gz MCPFSUORXUUSBW-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO Cc1csc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001716538238 1420754360 /nfs/dbraw/zinc/75/43/60/1420754360.db2.gz KUPBIFJDUULUMD-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001733766480 1429989540 /nfs/dbraw/zinc/98/95/40/1429989540.db2.gz UYVQHFPRRCVUFQ-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO c1c(C[N+]23CCN(CC2)CC3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000029221642 717116731 /nfs/dbraw/zinc/11/67/31/717116731.db2.gz XDKSCYUNXCKXPC-UHFFFAOYSA-N 1 0 345.470 3.185 10 5 EGBERO COc1ccc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])cc1 ZINC000040586397 213355827 /nfs/dbraw/zinc/35/58/27/213355827.db2.gz JMVUCZSRGJVSGZ-UHFFFAOYSA-N 1 0 338.327 3.276 10 5 EGBERO Cc1cc([N+](=O)[O-])cc([C@@H]([NH3+])c2cncc(Br)c2)c1C ZINC000040177390 213279730 /nfs/dbraw/zinc/27/97/30/213279730.db2.gz CSLJOALZUOSUOL-AWEZNQCLSA-N 1 0 336.189 3.417 10 5 EGBERO COc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000111398170 220149936 /nfs/dbraw/zinc/14/99/36/220149936.db2.gz VHGCSFNDRVGUHF-ZFWWWQNUSA-N 1 0 328.368 3.202 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377660269 169056003 /nfs/dbraw/zinc/05/60/03/169056003.db2.gz VETCGMISISDDJG-AEFFLSMTSA-N 1 0 347.365 3.408 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000378302107 169098253 /nfs/dbraw/zinc/09/82/53/169098253.db2.gz UCILRXWHBXSHHR-QZTJIDSGSA-N 1 0 347.365 3.408 10 5 EGBERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092098200 218118973 /nfs/dbraw/zinc/11/89/73/218118973.db2.gz FICYVIHKZNPZMR-OAHLLOKOSA-N 1 0 345.424 3.034 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000093098260 218193460 /nfs/dbraw/zinc/19/34/60/218193460.db2.gz FPBQNXCXBCXRKW-UHFFFAOYSA-N 1 0 347.459 3.370 10 5 EGBERO O=[N+]([O-])c1cc2ccccc2nc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000365285695 285101508 /nfs/dbraw/zinc/10/15/08/285101508.db2.gz AFABWYOWPXJNFR-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000058130466 296499340 /nfs/dbraw/zinc/49/93/40/296499340.db2.gz IDCHFBIMNVRVMF-WBMJQRKESA-N 1 0 339.823 3.161 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000338046991 141081341 /nfs/dbraw/zinc/08/13/41/141081341.db2.gz ODRNTOWYZCWFBU-UHFFFAOYSA-N 1 0 333.432 3.097 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341069659 155138986 /nfs/dbraw/zinc/13/89/86/155138986.db2.gz OPIZKPXPOXOYMR-TXEJJXNPSA-N 1 0 339.823 3.241 10 5 EGBERO COc1ccccc1/C=C\CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348932116 156291512 /nfs/dbraw/zinc/29/15/12/156291512.db2.gz DPCLNBLKYFKEPL-VURMDHGXSA-N 1 0 327.384 3.082 10 5 EGBERO [NH3+]CCN(Cc1ccccc1OCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000348931262 156291831 /nfs/dbraw/zinc/29/18/31/156291831.db2.gz ABCFAGFRDRHMNZ-UHFFFAOYSA-N 1 0 341.411 3.349 10 5 EGBERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1cc(F)ccc1[N+](=O)[O-] ZINC000368817379 157298058 /nfs/dbraw/zinc/29/80/58/157298058.db2.gz MXDXPXLZUJEHFD-UHFFFAOYSA-N 1 0 341.342 3.464 10 5 EGBERO CC[NH+](CC)[C@H](C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131330581 162397684 /nfs/dbraw/zinc/39/76/84/162397684.db2.gz PDACROCUWPNPAI-LLVKDONJSA-N 1 0 331.363 3.016 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000338347617 163218139 /nfs/dbraw/zinc/21/81/39/163218139.db2.gz IKXBCQCARAGBCZ-UHFFFAOYSA-N 1 0 328.368 3.041 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCSC[C@@H]3CCO)o2)c1 ZINC000355085739 166102358 /nfs/dbraw/zinc/10/23/58/166102358.db2.gz YKFLDFSKVOKZBH-HNNXBMFYSA-N 1 0 348.424 3.155 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC000177556708 265262223 /nfs/dbraw/zinc/26/22/23/265262223.db2.gz DARLHSLCVIRJLE-KBPBESRZSA-N 1 0 328.372 3.267 10 5 EGBERO CC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177791922 265278585 /nfs/dbraw/zinc/27/85/85/265278585.db2.gz LSXNATWWTCCBQD-KRWDZBQOSA-N 1 0 333.432 3.283 10 5 EGBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000408448881 274316505 /nfs/dbraw/zinc/31/65/05/274316505.db2.gz BSWZXCIIPADCFR-GUTXKFCHSA-N 1 0 343.431 3.313 10 5 EGBERO CCC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378585 276044934 /nfs/dbraw/zinc/04/49/34/276044934.db2.gz MXEFAXYUCSALIT-MSOLQXFVSA-N 1 0 335.448 3.136 10 5 EGBERO CN(C)c1ncccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154722863 276905117 /nfs/dbraw/zinc/90/51/17/276905117.db2.gz CKVNLQQWZAADHI-QGZVFWFLSA-N 1 0 340.427 3.167 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000194959517 302039680 /nfs/dbraw/zinc/03/96/80/302039680.db2.gz MSEFHJACZFAZOS-CRAIPNDOSA-N 1 0 339.395 3.078 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000245553591 307952640 /nfs/dbraw/zinc/95/26/40/307952640.db2.gz QPAOXYYUEFDLDM-DKIMLUQUSA-N 1 0 332.444 3.447 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000294715987 308249217 /nfs/dbraw/zinc/24/92/17/308249217.db2.gz FCOFSESEPWBYSX-UHFFFAOYSA-N 1 0 339.395 3.167 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CCC(O)CC4)CC3)nc2c1 ZINC000295832252 308364814 /nfs/dbraw/zinc/36/48/14/308364814.db2.gz YUVMCVWLENFKNQ-UHFFFAOYSA-N 1 0 345.399 3.253 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CC ZINC000295833230 308364975 /nfs/dbraw/zinc/36/49/75/308364975.db2.gz ABEXWJOLCQLTFA-CYBMUJFWSA-N 1 0 334.445 3.472 10 5 EGBERO Cc1cc(NCCCC[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301456085 308701076 /nfs/dbraw/zinc/70/10/76/308701076.db2.gz WOHGBMCGIQGQBF-UHFFFAOYSA-N 1 0 327.812 3.081 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000427846365 309536851 /nfs/dbraw/zinc/53/68/51/309536851.db2.gz HHEHIONLENDLRV-FXAWDEMLSA-N 1 0 348.406 3.485 10 5 EGBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449415772 310060107 /nfs/dbraw/zinc/06/01/07/310060107.db2.gz PRCFTCHRSISEKE-FEPMCFLQSA-N 1 0 332.400 3.320 10 5 EGBERO C[NH+](C)CCN(Cc1cccs1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450374677 310118695 /nfs/dbraw/zinc/11/86/95/310118695.db2.gz CFYZQZHSOYNKFY-UHFFFAOYSA-N 1 0 345.428 3.101 10 5 EGBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272912 310169116 /nfs/dbraw/zinc/16/91/16/310169116.db2.gz VKGSWQMMNJQWSV-IINYFYTJSA-N 1 0 332.322 3.206 10 5 EGBERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153081 310390860 /nfs/dbraw/zinc/39/08/60/310390860.db2.gz WMZOBTHKSIHGHV-FUHWJXTLSA-N 1 0 345.443 3.175 10 5 EGBERO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000538259645 314235475 /nfs/dbraw/zinc/23/54/75/314235475.db2.gz KKWUTEXVQREQIG-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000539063068 314293535 /nfs/dbraw/zinc/29/35/35/314293535.db2.gz POUNMWXKWPJZAK-YPMHNXCESA-N 1 0 341.358 3.479 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000539609796 314323829 /nfs/dbraw/zinc/32/38/29/314323829.db2.gz MRGVPYUOHRZTFZ-KBPBESRZSA-N 1 0 328.368 3.394 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC2CCC1CC2 ZINC000550829439 315135363 /nfs/dbraw/zinc/13/53/63/315135363.db2.gz HKQIXMFOVXMEAQ-WNZJFKNXSA-N 1 0 331.416 3.480 10 5 EGBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000563219652 315979926 /nfs/dbraw/zinc/97/99/26/315979926.db2.gz UGKPCWOFCJJVCH-WBMJQRKESA-N 1 0 333.388 3.137 10 5 EGBERO COc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000564097993 316113447 /nfs/dbraw/zinc/11/34/47/316113447.db2.gz LPAAGCCOKAFQFJ-SJORKVTESA-N 1 0 344.415 3.116 10 5 EGBERO Cc1ccc(CC[C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000566116800 316420143 /nfs/dbraw/zinc/42/01/43/316420143.db2.gz KYIFIWFTYOJHPD-CYBMUJFWSA-N 1 0 345.399 3.436 10 5 EGBERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566118253 316420377 /nfs/dbraw/zinc/42/03/77/316420377.db2.gz YYNMWEICQIEINE-BFUOFWGJSA-N 1 0 339.395 3.447 10 5 EGBERO CC[NH+](CC)C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000572031203 317281707 /nfs/dbraw/zinc/28/17/07/317281707.db2.gz HBXNQXOHMJAOBI-CQSZACIVSA-N 1 0 332.448 3.037 10 5 EGBERO COC(=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000572409454 317334629 /nfs/dbraw/zinc/33/46/29/317334629.db2.gz OADULOCGBXTCFB-XQRVVYSFSA-N 1 0 326.352 3.184 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)[C@@H](O)C(F)F ZINC000296308801 455905862 /nfs/dbraw/zinc/90/58/62/455905862.db2.gz GFJYIDUQDKJYGN-UHIISALHSA-N 1 0 348.415 3.460 10 5 EGBERO Cc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000379684593 324241593 /nfs/dbraw/zinc/24/15/93/324241593.db2.gz FPARNCDFMIWTTQ-KRWDZBQOSA-N 1 0 340.427 3.187 10 5 EGBERO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000379683020 324241832 /nfs/dbraw/zinc/24/18/32/324241832.db2.gz ZNVVETGJEYHKTJ-HOCLYGCPSA-N 1 0 326.400 3.455 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000580083880 325200887 /nfs/dbraw/zinc/20/08/87/325200887.db2.gz FCIKDXPVSPWECS-UHFFFAOYSA-N 1 0 327.428 3.467 10 5 EGBERO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173340106 455268753 /nfs/dbraw/zinc/26/87/53/455268753.db2.gz UKZGUDBGTHPOKO-MAUKXSAKSA-N 1 0 327.428 3.418 10 5 EGBERO Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncnc2c1C[N@H+](C)CC2 ZINC000242242382 455270551 /nfs/dbraw/zinc/27/05/51/455270551.db2.gz XUIVBXSSOCEXEO-UHFFFAOYSA-N 1 0 334.763 3.127 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000600681603 460567420 /nfs/dbraw/zinc/56/74/20/460567420.db2.gz YXSCQWPOJRRMCF-UHFFFAOYSA-N 1 0 343.383 3.088 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728618 460581869 /nfs/dbraw/zinc/58/18/69/460581869.db2.gz VTRUURCDWFDXDN-SCDSUCTJSA-N 1 0 331.338 3.115 10 5 EGBERO CC[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000181546091 455353533 /nfs/dbraw/zinc/35/35/33/455353533.db2.gz DFRJDMWYSSGAKP-INIZCTEOSA-N 1 0 331.347 3.413 10 5 EGBERO Cc1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000043148212 454045260 /nfs/dbraw/zinc/04/52/60/454045260.db2.gz IEILPTZPGKYRBW-INIZCTEOSA-N 1 0 342.399 3.328 10 5 EGBERO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000077323704 454092236 /nfs/dbraw/zinc/09/22/36/454092236.db2.gz BTCSHMNGAMQMGV-UHFFFAOYSA-N 1 0 346.387 3.034 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120944551 454367223 /nfs/dbraw/zinc/36/72/23/454367223.db2.gz ZDAAGFIGMSBXJZ-UKRRQHHQSA-N 1 0 348.447 3.406 10 5 EGBERO COc1ccccc1CC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000104708929 454598484 /nfs/dbraw/zinc/59/84/84/454598484.db2.gz QNYGWPBCOUWMKN-UHFFFAOYSA-N 1 0 330.384 3.287 10 5 EGBERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123211326 454615172 /nfs/dbraw/zinc/61/51/72/454615172.db2.gz DDWUYQGDSQDESC-CQSZACIVSA-N 1 0 344.367 3.240 10 5 EGBERO Cc1c(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123588197 454655141 /nfs/dbraw/zinc/65/51/41/454655141.db2.gz SDIATDYJUZHUFX-HZPDHXFCSA-N 1 0 336.457 3.390 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978340 454665060 /nfs/dbraw/zinc/66/50/60/454665060.db2.gz WCQPMFMOQUQNLE-UHFFFAOYSA-N 1 0 333.367 3.160 10 5 EGBERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109146870 454822703 /nfs/dbraw/zinc/82/27/03/454822703.db2.gz MBCJOSXXCCUFGD-RDTXWAMCSA-N 1 0 339.395 3.359 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114481997 454956918 /nfs/dbraw/zinc/95/69/18/454956918.db2.gz MFQOAERPBXOKJO-QGZVFWFLSA-N 1 0 330.388 3.314 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C3CC3)CC2)o1 ZINC000127911546 455008415 /nfs/dbraw/zinc/00/84/15/455008415.db2.gz JVDSYSGNJQVKFU-UHFFFAOYSA-N 1 0 327.384 3.135 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000179547691 455056970 /nfs/dbraw/zinc/05/69/70/455056970.db2.gz JLMWCFPXHWCZFZ-CQSZACIVSA-N 1 0 327.384 3.135 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180171199 455144254 /nfs/dbraw/zinc/14/42/54/455144254.db2.gz HQLVUCFTARCWEL-QZTJIDSGSA-N 1 0 339.395 3.078 10 5 EGBERO CN(C)C(=O)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180300685 455155950 /nfs/dbraw/zinc/15/59/50/455155950.db2.gz QRRRUSFUNRANJN-IBGZPJMESA-N 1 0 341.411 3.142 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCSCCCO)c2ccccc2)c1 ZINC000180480518 455178297 /nfs/dbraw/zinc/17/82/97/455178297.db2.gz GNTFVACZUYRYBH-GOSISDBHSA-N 1 0 346.452 3.389 10 5 EGBERO CC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])OCCCO1 ZINC000190649802 455359652 /nfs/dbraw/zinc/35/96/52/455359652.db2.gz SBYQNYWYQSYVBD-GDBMZVCRSA-N 1 0 334.416 3.049 10 5 EGBERO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000159808712 455405948 /nfs/dbraw/zinc/40/59/48/455405948.db2.gz YDHIHILURJCXHU-UHFFFAOYSA-N 1 0 335.429 3.383 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCCC1 ZINC000184618255 455413941 /nfs/dbraw/zinc/41/39/41/455413941.db2.gz KGOCXYPRZUHKLL-GFCCVEGCSA-N 1 0 335.404 3.100 10 5 EGBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246226572 455453546 /nfs/dbraw/zinc/45/35/46/455453546.db2.gz MAGZRZZHVPQJOI-QMTHXVAHSA-N 1 0 340.811 3.098 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185068802 455495646 /nfs/dbraw/zinc/49/56/46/455495646.db2.gz VOTNLAXACJTZHG-ZDUSSCGKSA-N 1 0 334.401 3.121 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185068817 455496124 /nfs/dbraw/zinc/49/61/24/455496124.db2.gz VOTNLAXACJTZHG-CYBMUJFWSA-N 1 0 334.401 3.121 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000267961128 455570541 /nfs/dbraw/zinc/57/05/41/455570541.db2.gz LBCNUEIKKPTGJW-TZMCWYRMSA-N 1 0 334.420 3.158 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000267961124 455570923 /nfs/dbraw/zinc/57/09/23/455570923.db2.gz LBCNUEIKKPTGJW-JSGCOSHPSA-N 1 0 334.420 3.158 10 5 EGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277830022 455679280 /nfs/dbraw/zinc/67/92/80/455679280.db2.gz RLUWNUZESAQHBC-JTNHKYCSSA-N 1 0 332.322 3.291 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1ccccc1)CCC2 ZINC000192933786 455720555 /nfs/dbraw/zinc/72/05/55/455720555.db2.gz URPQDAKOIVQYQH-QFBILLFUSA-N 1 0 326.396 3.338 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194943059 455904645 /nfs/dbraw/zinc/90/46/45/455904645.db2.gz RNEAQLYDMWMVQS-CQSZACIVSA-N 1 0 348.447 3.077 10 5 EGBERO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cs1 ZINC000261751127 455940825 /nfs/dbraw/zinc/94/08/25/455940825.db2.gz QCMPBZQEXJUXBI-AWEZNQCLSA-N 1 0 337.832 3.456 10 5 EGBERO CSc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000188188217 456016719 /nfs/dbraw/zinc/01/67/19/456016719.db2.gz NBUJDWPJZRDWJO-LBPRGKRZSA-N 1 0 339.461 3.023 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000301799149 456217464 /nfs/dbraw/zinc/21/74/64/456217464.db2.gz VAZDSIGJRXPHDO-WBMJQRKESA-N 1 0 349.406 3.196 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000302190867 456312656 /nfs/dbraw/zinc/31/26/56/456312656.db2.gz VNYBOLVSQFGKAZ-KBAYOESNSA-N 1 0 338.411 3.312 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000302190868 456313072 /nfs/dbraw/zinc/31/30/72/456313072.db2.gz VNYBOLVSQFGKAZ-RYQLBKOJSA-N 1 0 338.411 3.312 10 5 EGBERO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336898118 456314948 /nfs/dbraw/zinc/31/49/48/456314948.db2.gz QELHVBXLJWNOSN-LBPRGKRZSA-N 1 0 329.194 3.014 10 5 EGBERO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000341990605 457045541 /nfs/dbraw/zinc/04/55/41/457045541.db2.gz NMAPTTNCRZELRW-MRXNPFEDSA-N 1 0 331.441 3.015 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000362760226 457081599 /nfs/dbraw/zinc/08/15/99/457081599.db2.gz ULPLZSOCKNHIDT-MSOLQXFVSA-N 1 0 329.375 3.269 10 5 EGBERO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000354200408 457125161 /nfs/dbraw/zinc/12/51/61/457125161.db2.gz NLCOUCTWIXINLK-UHFFFAOYSA-N 1 0 347.440 3.346 10 5 EGBERO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347020954 457195370 /nfs/dbraw/zinc/19/53/70/457195370.db2.gz VTPWSHCLAYFDPL-OAHLLOKOSA-N 1 0 345.443 3.201 10 5 EGBERO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000342353353 457251857 /nfs/dbraw/zinc/25/18/57/457251857.db2.gz ZFSWLEXXOUHIJR-QGZVFWFLSA-N 1 0 334.347 3.090 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000364866389 457708184 /nfs/dbraw/zinc/70/81/84/457708184.db2.gz XATWJTSNRCTVOE-XOKHGSTOSA-N 1 0 334.416 3.288 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000425980074 457752445 /nfs/dbraw/zinc/75/24/45/457752445.db2.gz MPICDXNKLNQGCI-STQMWFEESA-N 1 0 346.383 3.066 10 5 EGBERO CC[C@@H]1CN(CC)CCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411051368 457786174 /nfs/dbraw/zinc/78/61/74/457786174.db2.gz HTQBUXYXHWWUGS-CYBMUJFWSA-N 1 0 339.823 3.113 10 5 EGBERO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000358285943 457910383 /nfs/dbraw/zinc/91/03/83/457910383.db2.gz KADMXZMLHUXABH-CZUORRHYSA-N 1 0 328.368 3.476 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412043432 458062744 /nfs/dbraw/zinc/06/27/44/458062744.db2.gz NUVFKRQDNLFODS-RYUDHWBXSA-N 1 0 335.404 3.051 10 5 EGBERO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446040609 458132447 /nfs/dbraw/zinc/13/24/47/458132447.db2.gz BMFBMABIRCFHTA-LLVKDONJSA-N 1 0 327.812 3.017 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCC(F)(F)C2)n1 ZINC000447579109 458314823 /nfs/dbraw/zinc/31/48/23/458314823.db2.gz JAAXJOVFABKHMZ-JHJVBQTASA-N 1 0 328.363 3.443 10 5 EGBERO COc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000459530482 458402394 /nfs/dbraw/zinc/40/23/94/458402394.db2.gz LTKCSWPIALJGOG-KRWDZBQOSA-N 1 0 336.432 3.270 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(CN3CC4(C3)CCCOC4)cs2)c1 ZINC000459615156 458428011 /nfs/dbraw/zinc/42/80/11/458428011.db2.gz YTFGZBBPMFOEMG-UHFFFAOYSA-N 1 0 345.424 3.331 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000462939683 458667621 /nfs/dbraw/zinc/66/76/21/458667621.db2.gz MICSNWPIWGJKDV-IRXDYDNUSA-N 1 0 349.475 3.256 10 5 EGBERO CC[NH+]1CCC(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473508171 458832568 /nfs/dbraw/zinc/83/25/68/458832568.db2.gz LWIHHGJEDZYGFZ-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000475153445 458925478 /nfs/dbraw/zinc/92/54/78/458925478.db2.gz BCSNWXSXKUEODO-SJORKVTESA-N 1 0 345.443 3.288 10 5 EGBERO [NH3+]CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000566797307 459002243 /nfs/dbraw/zinc/00/22/43/459002243.db2.gz USUXMMXZOPKJLF-POHAHGRESA-N 1 0 325.412 3.111 10 5 EGBERO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594515259 459072352 /nfs/dbraw/zinc/07/23/52/459072352.db2.gz LZKCYJQUYJJYJA-CYBMUJFWSA-N 1 0 340.420 3.153 10 5 EGBERO CN1C[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000590052773 459072412 /nfs/dbraw/zinc/07/24/12/459072412.db2.gz LFOFBXNEKGVLIB-WMLDXEAASA-N 1 0 343.452 3.459 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594515328 459072947 /nfs/dbraw/zinc/07/29/47/459072947.db2.gz NTBWGGMSEDUMRZ-NOLJZWGESA-N 1 0 349.431 3.248 10 5 EGBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594522072 459078546 /nfs/dbraw/zinc/07/85/46/459078546.db2.gz XSBVBTWOZZZJHJ-XOKHGSTOSA-N 1 0 349.431 3.249 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000594995483 459209186 /nfs/dbraw/zinc/20/91/86/459209186.db2.gz MBXWQFOCKTXJPC-FHLIZLRMSA-N 1 0 328.343 3.170 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595058344 459230207 /nfs/dbraw/zinc/23/02/07/459230207.db2.gz ACFXTBBLYVYESP-CXHZTBPHSA-N 1 0 336.432 3.120 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595080576 459239626 /nfs/dbraw/zinc/23/96/26/459239626.db2.gz NCKICMHTRRMBKJ-NHYWBVRUSA-N 1 0 341.358 3.337 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000595094005 459242882 /nfs/dbraw/zinc/24/28/82/459242882.db2.gz RUSJARCNMQEAEO-GFCCVEGCSA-N 1 0 328.359 3.494 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595094976 459243475 /nfs/dbraw/zinc/24/34/75/459243475.db2.gz RZYYOXDHUHZNHL-MFKMUULPSA-N 1 0 341.358 3.193 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000595477452 459317058 /nfs/dbraw/zinc/31/70/58/459317058.db2.gz SZFQQWMODPCUBF-FUHWJXTLSA-N 1 0 329.375 3.269 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(CCO)CCCC2)c1 ZINC000595509347 459328444 /nfs/dbraw/zinc/32/84/44/459328444.db2.gz RLQUHEDVAYECFF-UHFFFAOYSA-N 1 0 332.322 3.398 10 5 EGBERO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000595517984 459332241 /nfs/dbraw/zinc/33/22/41/459332241.db2.gz HHMKAEXBPMHKES-LLVKDONJSA-N 1 0 349.328 3.050 10 5 EGBERO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCN(CC(F)(F)F)C1 ZINC000595517989 459332353 /nfs/dbraw/zinc/33/23/53/459332353.db2.gz HHMKAEXBPMHKES-NSHDSACASA-N 1 0 349.328 3.050 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3c(F)ccc(O)c3F)c2c1 ZINC000560533574 459367610 /nfs/dbraw/zinc/36/76/10/459367610.db2.gz QMTUQKLLMRPLLL-UHFFFAOYSA-N 1 0 347.321 3.392 10 5 EGBERO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595692811 459398329 /nfs/dbraw/zinc/39/83/29/459398329.db2.gz QPLJECFSILEUBE-HOCLYGCPSA-N 1 0 348.447 3.218 10 5 EGBERO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000595751896 459425710 /nfs/dbraw/zinc/42/57/10/459425710.db2.gz YSQAPEHGGQDPHF-KRWDZBQOSA-N 1 0 345.468 3.405 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccccc1 ZINC000485983762 459483309 /nfs/dbraw/zinc/48/33/09/459483309.db2.gz YCMBVLAHGRGEIZ-ICSRJNTNSA-N 1 0 348.406 3.422 10 5 EGBERO COCC1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000595912232 459484681 /nfs/dbraw/zinc/48/46/81/459484681.db2.gz WWDHSHAYHSGTGN-UHFFFAOYSA-N 1 0 346.387 3.084 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC[C@@H]3CCOC3)CC2)cc1 ZINC000592070133 459519192 /nfs/dbraw/zinc/51/91/92/459519192.db2.gz IOBGBJIGRGINJX-OAHLLOKOSA-N 1 0 334.416 3.255 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CNCC34CC(C3)C[NH2+]4)s2)cc1 ZINC000596103528 459521940 /nfs/dbraw/zinc/52/19/40/459521940.db2.gz MIGCNWXFSLRAEA-UHFFFAOYSA-N 1 0 329.425 3.165 10 5 EGBERO CC(C)OCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130375 459529793 /nfs/dbraw/zinc/52/97/93/459529793.db2.gz FWQSKEPTJCLQMF-QAQDUYKDSA-N 1 0 336.432 3.125 10 5 EGBERO C[N@@H+]1C[C@@H](CNCc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592376518 459584981 /nfs/dbraw/zinc/58/49/81/459584981.db2.gz XTMGEPYIDPIEHB-MSOLQXFVSA-N 1 0 325.412 3.030 10 5 EGBERO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2n(n1)CCC2 ZINC000584338482 459713639 /nfs/dbraw/zinc/71/36/39/459713639.db2.gz YHGCCKDPTORJPY-GFCCVEGCSA-N 1 0 339.399 3.112 10 5 EGBERO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029720 459745820 /nfs/dbraw/zinc/74/58/20/459745820.db2.gz ZCZTWBTZKCMBQF-UKRRQHHQSA-N 1 0 338.429 3.145 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000593063720 459761134 /nfs/dbraw/zinc/76/11/34/459761134.db2.gz JHTMJAKFXZIODZ-KRWDZBQOSA-N 1 0 345.374 3.438 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2Cc2ccccc2F)n1 ZINC000593080042 459766800 /nfs/dbraw/zinc/76/68/00/459766800.db2.gz CRMWITNHWSSDQV-HNNXBMFYSA-N 1 0 332.379 3.028 10 5 EGBERO C[NH+](C)CCc1c2ccccc2c2cc(Br)ccc2[n+]1[O-] ZINC000584639870 459777481 /nfs/dbraw/zinc/77/74/81/459777481.db2.gz JJJGNRRORBMNAT-UHFFFAOYSA-N 1 0 345.240 3.493 10 5 EGBERO CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](CC)C1 ZINC000596865891 459782548 /nfs/dbraw/zinc/78/25/48/459782548.db2.gz KBZVQODJSVZQNF-AWEZNQCLSA-N 1 0 334.420 3.160 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597213930 459880794 /nfs/dbraw/zinc/88/07/94/459880794.db2.gz IANHHWFHVBKQMB-RDTXWAMCSA-N 1 0 344.455 3.447 10 5 EGBERO CCC[NH+]1CCC(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587622536 459893619 /nfs/dbraw/zinc/89/36/19/459893619.db2.gz LXKLIYAZWVGNRY-UHFFFAOYSA-N 1 0 335.433 3.133 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593716966 459960202 /nfs/dbraw/zinc/96/02/02/459960202.db2.gz WGFBIGMJOCGHSJ-MGPUTAFESA-N 1 0 340.423 3.430 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000597630544 460012817 /nfs/dbraw/zinc/01/28/17/460012817.db2.gz DJNHCKQLTRQONS-NSHDSACASA-N 1 0 342.399 3.359 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000576241098 460100728 /nfs/dbraw/zinc/10/07/28/460100728.db2.gz QOVLXBAIFBREOT-UHFFFAOYSA-N 1 0 347.440 3.030 10 5 EGBERO Cn1ccnc1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610272681 460100789 /nfs/dbraw/zinc/10/07/89/460100789.db2.gz AOQCONMSBJQPIZ-GOSISDBHSA-N 1 0 336.395 3.402 10 5 EGBERO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000610368577 460137116 /nfs/dbraw/zinc/13/71/16/460137116.db2.gz RAOUBDRGMNGJAR-ZDUSSCGKSA-N 1 0 341.415 3.073 10 5 EGBERO CCO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000599302703 460221774 /nfs/dbraw/zinc/22/17/74/460221774.db2.gz JENRLCCSLSMZTJ-SFHVURJKSA-N 1 0 334.416 3.253 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@]32C)cccc1[N+](=O)[O-] ZINC000599675137 460305765 /nfs/dbraw/zinc/30/57/65/460305765.db2.gz OQTBEKTTWWURGX-KSSFIOAISA-N 1 0 331.416 3.496 10 5 EGBERO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599768876 460329886 /nfs/dbraw/zinc/32/98/86/460329886.db2.gz PTGNDEIRBGLBDZ-HNNXBMFYSA-N 1 0 332.404 3.042 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600214455 460444120 /nfs/dbraw/zinc/44/41/20/460444120.db2.gz QKIGKYQLXRGBOR-OAHLLOKOSA-N 1 0 328.368 3.299 10 5 EGBERO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231003 460452137 /nfs/dbraw/zinc/45/21/37/460452137.db2.gz XZSRHVGULRYDLY-KDOFPFPSSA-N 1 0 345.443 3.222 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000611983775 460501421 /nfs/dbraw/zinc/50/14/21/460501421.db2.gz JKWYTNUQAJIIQK-MRXNPFEDSA-N 1 0 341.411 3.453 10 5 EGBERO C[NH+](C)C1CCC2(CC1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC000601169778 460739606 /nfs/dbraw/zinc/73/96/06/460739606.db2.gz FAXCZBHLKCVSTB-UHFFFAOYSA-N 1 0 336.411 3.220 10 5 EGBERO CCOc1cc(Nc2cnn(C3CC[NH+](C)CC3)c2)ccc1[N+](=O)[O-] ZINC000601227106 460757318 /nfs/dbraw/zinc/75/73/18/460757318.db2.gz QZLLCMATICCPPQ-UHFFFAOYSA-N 1 0 345.403 3.200 10 5 EGBERO CCOC(=O)c1cc(N2CCC(CC)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000601229182 460757957 /nfs/dbraw/zinc/75/79/57/460757957.db2.gz HWLPKKZLDSOYFN-UHFFFAOYSA-N 1 0 349.431 3.082 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@H](O)C(F)F)c2ccccc2)c1 ZINC000601299565 460780535 /nfs/dbraw/zinc/78/05/35/460780535.db2.gz RMSVSCRGXACAJZ-HZPDHXFCSA-N 1 0 336.338 3.290 10 5 EGBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601453158 460814696 /nfs/dbraw/zinc/81/46/96/460814696.db2.gz HCWXUEBHYZVEOH-MRXNPFEDSA-N 1 0 345.443 3.006 10 5 EGBERO CC1(C)C[NH2+]CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000601972703 460967159 /nfs/dbraw/zinc/96/71/59/460967159.db2.gz NJERANAQKXSBJL-LBPRGKRZSA-N 1 0 343.374 3.064 10 5 EGBERO CC(C)COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181391051 528161713 /nfs/dbraw/zinc/16/17/13/528161713.db2.gz CALQKICPIHFKBP-CQSZACIVSA-N 1 0 332.404 3.177 10 5 EGBERO Cc1ccccc1C1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000593039388 548104869 /nfs/dbraw/zinc/10/48/69/548104869.db2.gz KOZZHIOXPIGCEH-UHFFFAOYSA-N 1 0 339.395 3.171 10 5 EGBERO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000871933328 1296620610 /nfs/dbraw/zinc/62/06/10/1296620610.db2.gz LRUXBKGDCBNNLS-QMMMGPOBSA-N 1 0 328.237 3.417 10 5 EGBERO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053984 1296704008 /nfs/dbraw/zinc/70/40/08/1296704008.db2.gz OBDJESDFIWHPSL-FZMZJTMJSA-N 1 0 336.338 3.127 10 5 EGBERO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084168 1296724527 /nfs/dbraw/zinc/72/45/27/1296724527.db2.gz PVVPSTKRNQWRNG-WDEREUQCSA-N 1 0 326.368 3.362 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCCCC2)cc1 ZINC000872235840 1296835884 /nfs/dbraw/zinc/83/58/84/1296835884.db2.gz KXHHCNNMCFJARO-MOPGFXCFSA-N 1 0 347.459 3.015 10 5 EGBERO CC1(C)C[NH2+]CC[C@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000312424986 1297116063 /nfs/dbraw/zinc/11/60/63/1297116063.db2.gz URVQYKWVEWWOHQ-GFCCVEGCSA-N 1 0 347.184 3.263 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000886234694 1303407049 /nfs/dbraw/zinc/40/70/49/1303407049.db2.gz TZZAGMGTLFODBX-AWEZNQCLSA-N 1 0 338.766 3.081 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC000886331077 1303436074 /nfs/dbraw/zinc/43/60/74/1303436074.db2.gz ANLQIGMSKXZPEG-XFJVYGCCSA-N 1 0 340.807 3.064 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CC(C(F)F)C1 ZINC000895611470 1309428259 /nfs/dbraw/zinc/42/82/59/1309428259.db2.gz WCPOFTMIBVLMFP-UHFFFAOYSA-N 1 0 335.148 3.491 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccns1 ZINC000858579376 1328799007 /nfs/dbraw/zinc/79/90/07/1328799007.db2.gz UNYQVDGTFBVCMO-MNOVXSKESA-N 1 0 334.401 3.119 10 5 EGBERO C[NH+](C)C1(C)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000913400008 1319027363 /nfs/dbraw/zinc/02/73/63/1319027363.db2.gz FCTRMBWMEZAMCW-UHFFFAOYSA-N 1 0 347.440 3.366 10 5 EGBERO CC[C@@H](CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000915213673 1319445697 /nfs/dbraw/zinc/44/56/97/1319445697.db2.gz LEKHCWDPVBNHFF-VIHMKRCTSA-N 1 0 347.415 3.067 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930440496 1328854757 /nfs/dbraw/zinc/85/47/57/1328854757.db2.gz NPNUGJZZEQNIMH-JSGCOSHPSA-N 1 0 332.322 3.179 10 5 EGBERO COc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCC2)cc1[N+](=O)[O-] ZINC000921612867 1322363501 /nfs/dbraw/zinc/36/35/01/1322363501.db2.gz XVWDFTFGIYFNLS-UHFFFAOYSA-N 1 0 344.415 3.284 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)c2c1 ZINC000922134675 1322462983 /nfs/dbraw/zinc/46/29/83/1322462983.db2.gz QUOULCRDIFOXKY-CWRNSKLLSA-N 1 0 343.427 3.413 10 5 EGBERO C[C@@H]([NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000931618396 1329154912 /nfs/dbraw/zinc/15/49/12/1329154912.db2.gz XIFJZKORMUPXDC-OGWOLHLISA-N 1 0 344.411 3.120 10 5 EGBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000925383837 1325136650 /nfs/dbraw/zinc/13/66/50/1325136650.db2.gz YCCYCTABDJQRBA-ZDUSSCGKSA-N 1 0 330.388 3.246 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc(C)n(C)n1 ZINC000926909158 1327770735 /nfs/dbraw/zinc/77/07/35/1327770735.db2.gz IRSUIBGPRKNUIE-LBPRGKRZSA-N 1 0 334.445 3.252 10 5 EGBERO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)n1 ZINC000927057682 1327833543 /nfs/dbraw/zinc/83/35/43/1327833543.db2.gz ONEQYHILDJSAKH-XUJVJEKNSA-N 1 0 342.399 3.453 10 5 EGBERO O=C(OCC12CCC[NH+](CCC1)C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000861355255 1329412241 /nfs/dbraw/zinc/41/22/41/1329412241.db2.gz MSXMAWZAUCVEMZ-UHFFFAOYSA-N 1 0 338.791 3.281 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000862465268 1329488633 /nfs/dbraw/zinc/48/86/33/1329488633.db2.gz PGBFJIFHBRLBLN-CQSZACIVSA-N 1 0 342.351 3.206 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC000863586431 1329564841 /nfs/dbraw/zinc/56/48/41/1329564841.db2.gz ZWPDEJMNWCKIOZ-CYBMUJFWSA-N 1 0 332.322 3.341 10 5 EGBERO COc1cc(NC2CCC(C)([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000866148451 1330070721 /nfs/dbraw/zinc/07/07/21/1330070721.db2.gz BQXJPPCRLIIPQM-UHFFFAOYSA-N 1 0 325.384 3.417 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC000866206431 1330078467 /nfs/dbraw/zinc/07/84/67/1330078467.db2.gz LAUCVFNHPAQHDI-ZWNOBZJWSA-N 1 0 329.322 3.144 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC000866207736 1330078666 /nfs/dbraw/zinc/07/86/66/1330078666.db2.gz JNCVOSGJNDXINM-HOTGVXAUSA-N 1 0 338.411 3.187 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@@H]21 ZINC000866207708 1330078727 /nfs/dbraw/zinc/07/87/27/1330078727.db2.gz JBQUVMZBTNMRPT-CJNGLKHVSA-N 1 0 344.440 3.249 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000866390175 1330105671 /nfs/dbraw/zinc/10/56/71/1330105671.db2.gz SBFMUPSMNUMMAX-XNAIMREJSA-N 1 0 330.359 3.433 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCSC1 ZINC000866401937 1330106997 /nfs/dbraw/zinc/10/69/97/1330106997.db2.gz GPMDTRKFGNINDX-QWHCGFSZSA-N 1 0 337.445 3.045 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000866404370 1330107321 /nfs/dbraw/zinc/10/73/21/1330107321.db2.gz ZLXHBQKITZLXEZ-AWEZNQCLSA-N 1 0 335.473 3.296 10 5 EGBERO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866478131 1330117214 /nfs/dbraw/zinc/11/72/14/1330117214.db2.gz DXFRZHUXUNEAHJ-GFCCVEGCSA-N 1 0 327.384 3.101 10 5 EGBERO C[C@]([NH3+])(C(=O)N[C@H](C1CCC1)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867980947 1330236014 /nfs/dbraw/zinc/23/60/14/1330236014.db2.gz CQQAGIDPSLQKQR-PKOBYXMFSA-N 1 0 345.443 3.244 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000868157820 1330256362 /nfs/dbraw/zinc/25/63/62/1330256362.db2.gz IKBOBOYFVCIQBW-CABCVRRESA-N 1 0 346.431 3.251 10 5 EGBERO CC[NH+](CC)CCOCCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186053322 1387856823 /nfs/dbraw/zinc/85/68/23/1387856823.db2.gz APRNJZFWBMWPAD-UHFFFAOYSA-N 1 0 349.353 3.384 10 5 EGBERO CCO[C@H]1C[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821517 1367601991 /nfs/dbraw/zinc/60/19/91/1367601991.db2.gz NZRGHQOQUGGVCL-CABCVRRESA-N 1 0 338.452 3.015 10 5 EGBERO CCOC(=O)CC(C)(C)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743055 1368105310 /nfs/dbraw/zinc/10/53/10/1368105310.db2.gz IDJSOROHIXAFOI-UHFFFAOYSA-N 1 0 336.432 3.439 10 5 EGBERO CCc1ccc([C@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001186594222 1387978483 /nfs/dbraw/zinc/97/84/83/1387978483.db2.gz PMFDEOOZLPNLFC-INIZCTEOSA-N 1 0 345.447 3.386 10 5 EGBERO C[N@H+](CCNC(=O)CC1(C)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266272098 1377256475 /nfs/dbraw/zinc/25/64/75/1377256475.db2.gz QIBDDLUXEWCJGT-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001154408341 1380272233 /nfs/dbraw/zinc/27/22/33/1380272233.db2.gz MLMPYAWHCBMHBH-UHFFFAOYSA-N 1 0 342.399 3.271 10 5 EGBERO CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827607 1380657643 /nfs/dbraw/zinc/65/76/43/1380657643.db2.gz GRPNCHUALUATHI-MRXNPFEDSA-N 1 0 333.432 3.178 10 5 EGBERO C[C@@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC001162799512 1382876347 /nfs/dbraw/zinc/87/63/47/1382876347.db2.gz AUJHOFVVKXIMFD-PWSUYJOCSA-N 1 0 346.818 3.255 10 5 EGBERO CC[N@@H+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@H]1C ZINC001162832954 1382889441 /nfs/dbraw/zinc/88/94/41/1382889441.db2.gz LRVLKIPZKNIDDQ-LLVKDONJSA-N 1 0 334.807 3.327 10 5 EGBERO CCO[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC001164103892 1383156793 /nfs/dbraw/zinc/15/67/93/1383156793.db2.gz YOIPYIBXAUBRSR-SNVBAGLBSA-N 1 0 336.219 3.280 10 5 EGBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001164352199 1383180050 /nfs/dbraw/zinc/18/00/50/1383180050.db2.gz ZOGNOKUWCJHLLC-ZIAGYGMSSA-N 1 0 338.839 3.342 10 5 EGBERO CC1CC[NH+]([C@H](CNc2c([N+](=O)[O-])cnn2C)c2ccccc2)CC1 ZINC001306940386 1383923880 /nfs/dbraw/zinc/92/38/80/1383923880.db2.gz QHTLUFNJVOTGOL-MRXNPFEDSA-N 1 0 343.431 3.213 10 5 EGBERO CCCC[N@H+](C)C[C@H](C)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001307134395 1383943943 /nfs/dbraw/zinc/94/39/43/1383943943.db2.gz NHQXKCCOVNODQI-GDAGCXPBSA-N 1 0 349.431 3.313 10 5 EGBERO CC[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001168741046 1383987050 /nfs/dbraw/zinc/98/70/50/1383987050.db2.gz FNTWBYWFSWEWTL-INIZCTEOSA-N 1 0 344.367 3.443 10 5 EGBERO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC001308148160 1384101236 /nfs/dbraw/zinc/10/12/36/1384101236.db2.gz GTXLVLVIRQBANE-GOSISDBHSA-N 1 0 343.383 3.214 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccc(F)c3)CC2)cc1 ZINC001175453914 1385296600 /nfs/dbraw/zinc/29/66/00/1385296600.db2.gz OFXRWCWDQHSLOV-UHFFFAOYSA-N 1 0 329.375 3.099 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)c([N+](=O)[O-])c1 ZINC001176761156 1385687919 /nfs/dbraw/zinc/68/79/19/1385687919.db2.gz PZIRSELZSRVFKA-OAHLLOKOSA-N 1 0 335.360 3.084 10 5 EGBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)(C)C1 ZINC001178861363 1386332300 /nfs/dbraw/zinc/33/23/00/1386332300.db2.gz WGTJVWMCDJKYMB-CQSZACIVSA-N 1 0 339.823 3.017 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001350136629 1391419157 /nfs/dbraw/zinc/41/91/57/1391419157.db2.gz RDJPUEXFVODXCZ-GUDFOSOFSA-N 1 0 334.269 3.330 10 5 EGBERO CCCC(=O)N1CCC(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001482499559 1395051901 /nfs/dbraw/zinc/05/19/01/1395051901.db2.gz QAFXAYTXMTVCHR-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C=C1CCCCC1 ZINC001691270112 1405185442 /nfs/dbraw/zinc/18/54/42/1405185442.db2.gz QUVGHEGZNVORLF-UHFFFAOYSA-N 1 0 337.445 3.095 10 5 EGBERO CC(C)=C(C)CC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001707397515 1417313170 /nfs/dbraw/zinc/31/31/70/1417313170.db2.gz PVMFMOLLGLTZKI-UHFFFAOYSA-N 1 0 333.432 3.279 10 5 EGBERO CCCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001713200697 1417771417 /nfs/dbraw/zinc/77/14/17/1417771417.db2.gz VUTTZVXKKODGNB-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CCCCCC1 ZINC001733095179 1429240603 /nfs/dbraw/zinc/24/06/03/1429240603.db2.gz MPBRLVMKFZFTCU-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CC(C)CCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001713782890 1418599069 /nfs/dbraw/zinc/59/90/69/1418599069.db2.gz VUKFMFGXNMWHDY-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO CCC(=CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)CC ZINC001733241356 1429384514 /nfs/dbraw/zinc/38/45/14/1429384514.db2.gz QAFNXVWVINPGPD-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001715996002 1420450429 /nfs/dbraw/zinc/45/04/29/1420450429.db2.gz NHADXYYHSXQVNE-UHFFFAOYSA-N 1 0 341.411 3.107 10 5 EGBERO O=C(C=C1CCCCC1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001716275608 1420591047 /nfs/dbraw/zinc/59/10/47/1420591047.db2.gz XLSYSPSPXJAQLU-PLNGDYQASA-N 1 0 343.427 3.247 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001723196148 1424318311 /nfs/dbraw/zinc/31/83/11/1424318311.db2.gz MKVIXGAUHKLLSD-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC[N@H+](CCNC(=O)C1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731798957 1427957019 /nfs/dbraw/zinc/95/70/19/1427957019.db2.gz URMXTZTWDSPRNP-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807797 295663360 /nfs/dbraw/zinc/66/33/60/295663360.db2.gz GVMGTTQSRAHUTJ-XWIAVFTESA-N 1 0 346.452 3.386 10 5 EGBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103096415 219255474 /nfs/dbraw/zinc/25/54/74/219255474.db2.gz HBEOTWSBHRJHPE-INIZCTEOSA-N 1 0 345.443 3.323 10 5 EGBERO O=[N+]([O-])c1ccc(Br)cc1NCCC1CC[NH2+]CC1 ZINC000039956333 213246351 /nfs/dbraw/zinc/24/63/51/213246351.db2.gz KNMXPSTWEFEMAA-UHFFFAOYSA-N 1 0 328.210 3.159 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000078635499 217092326 /nfs/dbraw/zinc/09/23/26/217092326.db2.gz HHUKNYWPJVLZPA-KRWDZBQOSA-N 1 0 327.384 3.195 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000112209035 285083236 /nfs/dbraw/zinc/08/32/36/285083236.db2.gz CQMOEYIUDGXCIC-GFCCVEGCSA-N 1 0 340.221 3.032 10 5 EGBERO O=[N+]([O-])c1cnccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000357029984 285187890 /nfs/dbraw/zinc/18/78/90/285187890.db2.gz BABKJFXMDHZWNM-UHFFFAOYSA-N 1 0 346.818 3.356 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000181071340 533446441 /nfs/dbraw/zinc/44/64/41/533446441.db2.gz IBGBZEOJBRIUSR-CYBMUJFWSA-N 1 0 341.367 3.402 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000375078649 144567857 /nfs/dbraw/zinc/56/78/57/144567857.db2.gz CTECJARFECKCTJ-WMZOPIPTSA-N 1 0 347.365 3.408 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000341063166 155131589 /nfs/dbraw/zinc/13/15/89/155131589.db2.gz DHVMWOREIMRUPT-VXGBXAGGSA-N 1 0 339.823 3.241 10 5 EGBERO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368770938 157286033 /nfs/dbraw/zinc/28/60/33/157286033.db2.gz UFMMNBNZEKMPPU-OAHLLOKOSA-N 1 0 349.431 3.062 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340538730 163603348 /nfs/dbraw/zinc/60/33/48/163603348.db2.gz RYNMGIJRCCSPDY-AETAKHFUSA-N 1 0 344.415 3.169 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000343867415 164053736 /nfs/dbraw/zinc/05/37/36/164053736.db2.gz JXAPNNZDVHNWOW-CYBMUJFWSA-N 1 0 335.404 3.058 10 5 EGBERO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CC=CCC1 ZINC000344030556 164086329 /nfs/dbraw/zinc/08/63/29/164086329.db2.gz BVTJKHUIEOEFFJ-CYBMUJFWSA-N 1 0 328.372 3.433 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359553029 167190767 /nfs/dbraw/zinc/19/07/67/167190767.db2.gz GXMWHPZWIQVOIK-SCLBCKFNSA-N 1 0 331.416 3.354 10 5 EGBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359567092 167196736 /nfs/dbraw/zinc/19/67/36/167196736.db2.gz WKNWDJVETLCTDM-QWQRMKEZSA-N 1 0 331.416 3.434 10 5 EGBERO COCC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792429 168044431 /nfs/dbraw/zinc/04/44/31/168044431.db2.gz CCSPGJBXTWQQBD-ZDUSSCGKSA-N 1 0 337.376 3.142 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366812323 168144168 /nfs/dbraw/zinc/14/41/68/168144168.db2.gz UGGJYOJOEXLADJ-RLFYNMQTSA-N 1 0 334.416 3.062 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000124492181 222437248 /nfs/dbraw/zinc/43/72/48/222437248.db2.gz XEDFFZHDHISZTG-UHFFFAOYSA-N 1 0 343.383 3.112 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000273519998 267051894 /nfs/dbraw/zinc/05/18/94/267051894.db2.gz PTIPQJHNWYRQBP-FDPSAONLSA-N 1 0 343.427 3.085 10 5 EGBERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000311177902 274213155 /nfs/dbraw/zinc/21/31/55/274213155.db2.gz XAYVEGKQISCULM-ZDUSSCGKSA-N 1 0 339.399 3.404 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000271071051 275237770 /nfs/dbraw/zinc/23/77/70/275237770.db2.gz FCINFWCYLFJZON-JQRITLKVSA-N 1 0 349.431 3.091 10 5 EGBERO CCC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284351807 275794075 /nfs/dbraw/zinc/79/40/75/275794075.db2.gz NJZMRPHSUYJDDS-BHYGNILZSA-N 1 0 338.448 3.184 10 5 EGBERO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000285903188 275925220 /nfs/dbraw/zinc/92/52/20/275925220.db2.gz BKKSVVMVQDWUDK-VXGBXAGGSA-N 1 0 341.367 3.338 10 5 EGBERO C[N@@H+]1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000289459004 276342342 /nfs/dbraw/zinc/34/23/42/276342342.db2.gz VSHVIACDZVNEIH-MSOLQXFVSA-N 1 0 347.365 3.408 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000345302059 277567726 /nfs/dbraw/zinc/56/77/26/277567726.db2.gz RFHPUCUZQBWYMA-UHFFFAOYSA-N 1 0 333.432 3.321 10 5 EGBERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248085140 281194654 /nfs/dbraw/zinc/19/46/54/281194654.db2.gz SQNVVKFZMJQBFL-AEFFLSMTSA-N 1 0 339.395 3.078 10 5 EGBERO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293655504 308150078 /nfs/dbraw/zinc/15/00/78/308150078.db2.gz IUKQBSJLKSMWJB-CYBMUJFWSA-N 1 0 343.431 3.269 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414586112 309090792 /nfs/dbraw/zinc/09/07/92/309090792.db2.gz OLKUPCTWOMFHEN-INIZCTEOSA-N 1 0 329.375 3.411 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)o2)c1 ZINC000414585477 309090892 /nfs/dbraw/zinc/09/08/92/309090892.db2.gz UBOZXYSMYCZDKL-UKRRQHHQSA-N 1 0 330.384 3.496 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414896507 309108125 /nfs/dbraw/zinc/10/81/25/309108125.db2.gz PBVSXQWHLNYUDX-RTBURBONSA-N 1 0 343.402 3.278 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393937 309286068 /nfs/dbraw/zinc/28/60/68/309286068.db2.gz ZETDXWXZPARBLT-PZPSRYQVSA-N 1 0 329.375 3.222 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CC4CCC3CC4)n2)c1 ZINC000433005748 309675303 /nfs/dbraw/zinc/67/53/03/309675303.db2.gz CWAXDRMDUWRSOS-QOZQQMKHSA-N 1 0 328.372 3.313 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]CC3=CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000449402302 310059139 /nfs/dbraw/zinc/05/91/39/310059139.db2.gz KYFZTINFFMONNI-UHFFFAOYSA-N 1 0 344.367 3.300 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449674594 310080017 /nfs/dbraw/zinc/08/00/17/310080017.db2.gz VQWVGKJFXRBBCI-DOMZBBRYSA-N 1 0 346.349 3.463 10 5 EGBERO O=[N+]([O-])c1cccc2c1ccnc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000450254922 310111379 /nfs/dbraw/zinc/11/13/79/310111379.db2.gz WOHSFDJQFGBMHW-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[C@@]12C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368840 310174589 /nfs/dbraw/zinc/17/45/89/310174589.db2.gz MKDMWLSPALYSRU-GJRWTSMGSA-N 1 0 341.411 3.067 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883885 310201603 /nfs/dbraw/zinc/20/16/03/310201603.db2.gz FRXXTLSQQFRLQK-MISXGVKJSA-N 1 0 332.322 3.209 10 5 EGBERO CC[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000455627037 310370223 /nfs/dbraw/zinc/37/02/23/310370223.db2.gz ZDXMQOOVTDUOAU-KRWDZBQOSA-N 1 0 348.447 3.220 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(C3)CCCOC4)o2)cc1 ZINC000459603631 310564038 /nfs/dbraw/zinc/56/40/38/310564038.db2.gz IERJXDLHZLJUSM-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO COCCN(Cc1scnc1C)Cc1cccc([N+](=O)[O-])c1C ZINC000489432531 311105568 /nfs/dbraw/zinc/10/55/68/311105568.db2.gz GBQZINGSPWBYPI-UHFFFAOYSA-N 1 0 335.429 3.317 10 5 EGBERO O=C(Nc1ccccc1)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000495176912 311540350 /nfs/dbraw/zinc/54/03/50/311540350.db2.gz UMNYXGVEUSDTEJ-VURMDHGXSA-N 1 0 337.379 3.369 10 5 EGBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000513374755 312208235 /nfs/dbraw/zinc/20/82/35/312208235.db2.gz DBCXEQQEXLMEEM-UHFFFAOYSA-N 1 0 329.375 3.446 10 5 EGBERO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000535720011 314062882 /nfs/dbraw/zinc/06/28/82/314062882.db2.gz OVZNLXBZWKLKIG-CJNGLKHVSA-N 1 0 326.400 3.064 10 5 EGBERO COC(=O)c1cc(NCC[C@@H](C)[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000541344818 314452255 /nfs/dbraw/zinc/45/22/55/314452255.db2.gz MORCTXWRDUZUSG-CQSZACIVSA-N 1 0 349.431 3.366 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cn1 ZINC000554754942 315347268 /nfs/dbraw/zinc/34/72/68/315347268.db2.gz GGYYAUUWOKPQKH-CYBMUJFWSA-N 1 0 348.353 3.345 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(F)(F)F ZINC000558697686 315594776 /nfs/dbraw/zinc/59/47/76/315594776.db2.gz PHVCMDFTAQRTJT-SNVBAGLBSA-N 1 0 347.337 3.490 10 5 EGBERO COc1cccc([C@H](CNc2c(OC)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000563918625 316089866 /nfs/dbraw/zinc/08/98/66/316089866.db2.gz PCZOCSWUBIEUHH-INIZCTEOSA-N 1 0 345.399 3.327 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000565549226 316338679 /nfs/dbraw/zinc/33/86/79/316338679.db2.gz PEYJFHYVGZQUJD-CJNGLKHVSA-N 1 0 328.343 3.315 10 5 EGBERO Cc1ccnc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000572056716 317284597 /nfs/dbraw/zinc/28/45/97/317284597.db2.gz YNCLXYJHUAJHSB-ZDUSSCGKSA-N 1 0 338.367 3.429 10 5 EGBERO Cn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000572542229 317353724 /nfs/dbraw/zinc/35/37/24/317353724.db2.gz XNKTWVQVMPTRIM-GFCCVEGCSA-N 1 0 340.305 3.124 10 5 EGBERO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000579655682 325139106 /nfs/dbraw/zinc/13/91/06/325139106.db2.gz CSUCGSCNYWGAQC-GDBMZVCRSA-N 1 0 330.432 3.104 10 5 EGBERO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300489118 456784012 /nfs/dbraw/zinc/78/40/12/456784012.db2.gz WRSYOVNEDQUJHI-QWRGUYRKSA-N 1 0 342.237 3.229 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189598724 455222837 /nfs/dbraw/zinc/22/28/37/455222837.db2.gz GCVCODXIAQBCAU-HIFRSBDPSA-N 1 0 346.349 3.476 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000264548872 455234918 /nfs/dbraw/zinc/23/49/18/455234918.db2.gz OLDQDXFTXFAXTG-HNNXBMFYSA-N 1 0 343.383 3.261 10 5 EGBERO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000594592237 459102096 /nfs/dbraw/zinc/10/20/96/459102096.db2.gz OJOUDZINXXRGDC-PHIMTYICSA-N 1 0 342.237 3.418 10 5 EGBERO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183397880 455287148 /nfs/dbraw/zinc/28/71/48/455287148.db2.gz UUDHINASDPFXCS-HNNXBMFYSA-N 1 0 334.416 3.459 10 5 EGBERO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000600711434 460575363 /nfs/dbraw/zinc/57/53/63/460575363.db2.gz UEFGVPBVSZLFHQ-IPMKNSEASA-N 1 0 325.412 3.414 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc(C3CC[NH2+]CC3)c2)c1 ZINC000600793737 460607206 /nfs/dbraw/zinc/60/72/06/460607206.db2.gz OSXXVBINWPLBPU-UHFFFAOYSA-N 1 0 326.396 3.264 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000066811362 453876249 /nfs/dbraw/zinc/87/62/49/453876249.db2.gz AFYXGGPACIAKRE-CYBMUJFWSA-N 1 0 332.429 3.375 10 5 EGBERO Cc1sc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067205427 453910927 /nfs/dbraw/zinc/91/09/27/453910927.db2.gz MPCIUDLXLCLRKD-ZDUSSCGKSA-N 1 0 345.424 3.098 10 5 EGBERO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000067446291 453931214 /nfs/dbraw/zinc/93/12/14/453931214.db2.gz UUKLRBULXMCUIS-CYBMUJFWSA-N 1 0 327.384 3.147 10 5 EGBERO C[C@H]1C[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908028 454231583 /nfs/dbraw/zinc/23/15/83/454231583.db2.gz QKPOGSJDFQUVAQ-GUYCJALGSA-N 1 0 344.415 3.164 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120035744 454250885 /nfs/dbraw/zinc/25/08/85/454250885.db2.gz NFYNJXZSEYDHNC-HUUCEWRRSA-N 1 0 346.431 3.302 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132066107 454309812 /nfs/dbraw/zinc/30/98/12/454309812.db2.gz XBCYPKBVUKDAFX-HUUCEWRRSA-N 1 0 334.416 3.173 10 5 EGBERO Cc1nn(C)c(NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000051455335 454626699 /nfs/dbraw/zinc/62/66/99/454626699.db2.gz WBAMBMQWYYVENW-UHFFFAOYSA-N 1 0 343.431 3.235 10 5 EGBERO Cc1nc(C[C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)no1 ZINC000092813801 454640786 /nfs/dbraw/zinc/64/07/86/454640786.db2.gz YUDOMBKSNHAVFB-SBJJXXPASA-N 1 0 342.399 3.254 10 5 EGBERO CCC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162532567 454782085 /nfs/dbraw/zinc/78/20/85/454782085.db2.gz FOVSRZGYPFFVME-SFHVURJKSA-N 1 0 341.411 3.456 10 5 EGBERO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000153517127 454801918 /nfs/dbraw/zinc/80/19/18/454801918.db2.gz NSDMGTWRHPTONU-NSHDSACASA-N 1 0 326.809 3.420 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000154032482 454858889 /nfs/dbraw/zinc/85/88/89/454858889.db2.gz CDALSXGLUUFSJK-OAHLLOKOSA-N 1 0 334.420 3.145 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)o2)cc1 ZINC000126617222 454905683 /nfs/dbraw/zinc/90/56/83/454905683.db2.gz JFVNWIXYUZVTBN-XYPWUTKMSA-N 1 0 328.368 3.343 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000114495068 454958262 /nfs/dbraw/zinc/95/82/62/454958262.db2.gz RSRYXYOKZNKCML-LJQANCHMSA-N 1 0 343.427 3.380 10 5 EGBERO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cccc1[N+](=O)[O-] ZINC000151508902 454995092 /nfs/dbraw/zinc/99/50/92/454995092.db2.gz GGLBCMREYRTHQQ-CQSZACIVSA-N 1 0 337.383 3.335 10 5 EGBERO CC(C)(C)OC1CC([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000128438235 455056074 /nfs/dbraw/zinc/05/60/74/455056074.db2.gz UTDXWYDCXOMCQQ-UHFFFAOYSA-N 1 0 333.432 3.063 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152184001 455083339 /nfs/dbraw/zinc/08/33/39/455083339.db2.gz ZDOBKXSAVNZXCM-OAHLLOKOSA-N 1 0 333.775 3.297 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000129630481 455119820 /nfs/dbraw/zinc/11/98/20/455119820.db2.gz SKYFDWKAZUNWLY-UHFFFAOYSA-N 1 0 339.823 3.098 10 5 EGBERO CCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173396460 455278587 /nfs/dbraw/zinc/27/85/87/455278587.db2.gz SZHHMFKPHUPCHU-KRWDZBQOSA-N 1 0 345.443 3.248 10 5 EGBERO COc1ccc(OCC[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184181920 455358981 /nfs/dbraw/zinc/35/89/81/455358981.db2.gz KTOFGUIBMGAQQJ-LLVKDONJSA-N 1 0 337.401 3.098 10 5 EGBERO CO[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000190912250 455404415 /nfs/dbraw/zinc/40/44/15/455404415.db2.gz GNYXVQNKDPZDCL-WFASDCNBSA-N 1 0 333.413 3.375 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246073587 455421135 /nfs/dbraw/zinc/42/11/35/455421135.db2.gz IUFYQUSJYJQXMN-UKRRQHHQSA-N 1 0 341.415 3.462 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000249363984 455750485 /nfs/dbraw/zinc/75/04/85/455750485.db2.gz VMNMELDSTFPCHL-RHSMWYFYSA-N 1 0 331.416 3.212 10 5 EGBERO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261809203 455952543 /nfs/dbraw/zinc/95/25/43/455952543.db2.gz NGQSLWRLYOHNQD-CALCHBBNSA-N 1 0 345.446 3.460 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000301455750 456119932 /nfs/dbraw/zinc/11/99/32/456119932.db2.gz BTFBQDHUXKYEPV-CYBMUJFWSA-N 1 0 337.395 3.419 10 5 EGBERO COc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000301631708 456168669 /nfs/dbraw/zinc/16/86/69/456168669.db2.gz JHXJWAPIBQTVFQ-GFCCVEGCSA-N 1 0 325.384 3.053 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)c1 ZINC000301787661 456213612 /nfs/dbraw/zinc/21/36/12/456213612.db2.gz MLJKHFHLFUHANJ-UHFFFAOYSA-N 1 0 325.384 3.275 10 5 EGBERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601124426 460720172 /nfs/dbraw/zinc/72/01/72/460720172.db2.gz FJWZVACPNIFFHS-OAHLLOKOSA-N 1 0 344.390 3.087 10 5 EGBERO O=[N+]([O-])c1cnccc1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000340152382 456282963 /nfs/dbraw/zinc/28/29/63/456282963.db2.gz LISKQGXBONDNNY-UHFFFAOYSA-N 1 0 340.427 3.400 10 5 EGBERO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336898117 456314836 /nfs/dbraw/zinc/31/48/36/456314836.db2.gz QELHVBXLJWNOSN-GFCCVEGCSA-N 1 0 329.194 3.014 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000352858622 456369240 /nfs/dbraw/zinc/36/92/40/456369240.db2.gz OBYMCBGBTGKYIN-IBGZPJMESA-N 1 0 348.443 3.379 10 5 EGBERO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000348225033 456547428 /nfs/dbraw/zinc/54/74/28/456547428.db2.gz LRHPCDHJBARGBO-DOTOQJQBSA-N 1 0 340.427 3.479 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCCO1 ZINC000277198487 456721244 /nfs/dbraw/zinc/72/12/44/456721244.db2.gz JDZWAIPNJJCUTI-ZDUSSCGKSA-N 1 0 340.445 3.208 10 5 EGBERO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241367 456830703 /nfs/dbraw/zinc/83/07/03/456830703.db2.gz OKGFSWIMOOXYPO-AWEZNQCLSA-N 1 0 341.415 3.114 10 5 EGBERO CO[C@H](CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C(F)(F)F ZINC000345036068 456905858 /nfs/dbraw/zinc/90/58/58/456905858.db2.gz PKKLETKDHDKEAT-CQSZACIVSA-N 1 0 343.305 3.253 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CCc2cccc(OC)n2)cc1[N+](=O)[O-] ZINC000349203702 456912460 /nfs/dbraw/zinc/91/24/60/456912460.db2.gz UDRGHMSZJDIYDF-ZDUSSCGKSA-N 1 0 345.399 3.290 10 5 EGBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000363171371 457245523 /nfs/dbraw/zinc/24/55/23/457245523.db2.gz WVMDNZLLYSXNOB-HNNXBMFYSA-N 1 0 326.400 3.091 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000340104659 457333385 /nfs/dbraw/zinc/33/33/85/457333385.db2.gz JILHHOBDJRJRAX-VQIMIIECSA-N 1 0 341.411 3.138 10 5 EGBERO Cc1cc(NCCC2(C[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000404830516 457549390 /nfs/dbraw/zinc/54/93/90/457549390.db2.gz IFEIAEYLAMUJIU-UHFFFAOYSA-N 1 0 328.210 3.207 10 5 EGBERO O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433064378 457657454 /nfs/dbraw/zinc/65/74/54/457657454.db2.gz AQBZNVHXMKRHNN-MGULZYLOSA-N 1 0 337.807 3.355 10 5 EGBERO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000358308788 457925053 /nfs/dbraw/zinc/92/50/53/457925053.db2.gz ZMBKTHDCBYCYQK-XJKSGUPXSA-N 1 0 328.368 3.476 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)o2)c(Cl)c1 ZINC000428379828 458131840 /nfs/dbraw/zinc/13/18/40/458131840.db2.gz BIXRRCQIRUZKKZ-INIZCTEOSA-N 1 0 348.786 3.465 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000446494665 458193208 /nfs/dbraw/zinc/19/32/08/458193208.db2.gz MWKJHAKXNKIBNV-UHFFFAOYSA-N 1 0 348.447 3.489 10 5 EGBERO C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000372911417 458347188 /nfs/dbraw/zinc/34/71/88/458347188.db2.gz LWQSWJRMAZYPFU-ZDUSSCGKSA-N 1 0 340.383 3.185 10 5 EGBERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470184453 458622524 /nfs/dbraw/zinc/62/25/24/458622524.db2.gz VSOJEOAPADIEFA-NZHZHZHDSA-N 1 0 345.443 3.331 10 5 EGBERO CC(C)(C)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000530361366 458754535 /nfs/dbraw/zinc/75/45/35/458754535.db2.gz CYBDZYMJNRXDLX-UHFFFAOYSA-N 1 0 345.443 3.242 10 5 EGBERO CC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439965458 458771282 /nfs/dbraw/zinc/77/12/82/458771282.db2.gz PSXSOGMZCDMJME-LLVKDONJSA-N 1 0 348.428 3.387 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000531722600 458967826 /nfs/dbraw/zinc/96/78/26/458967826.db2.gz RPIBMPAHCDILNB-AWEZNQCLSA-N 1 0 326.396 3.084 10 5 EGBERO C[C@H]([NH2+]C1COCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000589949713 459056574 /nfs/dbraw/zinc/05/65/74/459056574.db2.gz JMQIGCMNZYZTFY-LBPRGKRZSA-N 1 0 348.424 3.389 10 5 EGBERO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521114 459078451 /nfs/dbraw/zinc/07/84/51/459078451.db2.gz LWNQCRNKVJJGOX-SOUVJXGZSA-N 1 0 338.452 3.316 10 5 EGBERO C[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000520622987 459079898 /nfs/dbraw/zinc/07/98/98/459079898.db2.gz RLTYNGLWVNGSSN-UHFFFAOYSA-N 1 0 345.399 3.335 10 5 EGBERO O=C(CC[NH2+]C[C@@H]1CCC2(CCCC2)O1)Nc1ccccc1[N+](=O)[O-] ZINC000594574578 459095444 /nfs/dbraw/zinc/09/54/44/459095444.db2.gz FMGBKZYDIKDQQP-AWEZNQCLSA-N 1 0 347.415 3.005 10 5 EGBERO C[C@H]1C[NH+](Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)C[C@H](C)O1 ZINC000558409045 459155061 /nfs/dbraw/zinc/15/50/61/459155061.db2.gz MOOZYKXAYASITM-KBPBESRZSA-N 1 0 342.399 3.343 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000594981787 459204145 /nfs/dbraw/zinc/20/41/45/459204145.db2.gz YXGURWCVQJMXBE-LWGXYICLSA-N 1 0 340.427 3.343 10 5 EGBERO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992238 459208888 /nfs/dbraw/zinc/20/88/88/459208888.db2.gz QZSHSWRRKBRTOH-OALUTQOASA-N 1 0 344.411 3.451 10 5 EGBERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000595015038 459216419 /nfs/dbraw/zinc/21/64/19/459216419.db2.gz XOVBRCUBEZKBNH-LBPRGKRZSA-N 1 0 338.404 3.061 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F ZINC000595039061 459225709 /nfs/dbraw/zinc/22/57/09/459225709.db2.gz BFXDAHBXVWIKLP-ZANVPECISA-N 1 0 336.310 3.221 10 5 EGBERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533425210 459233894 /nfs/dbraw/zinc/23/38/94/459233894.db2.gz BGZODQUZHCVPPY-OAHLLOKOSA-N 1 0 331.416 3.139 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595099342 459244603 /nfs/dbraw/zinc/24/46/03/459244603.db2.gz LLBNQLBCHUNCRF-ZDUSSCGKSA-N 1 0 349.431 3.080 10 5 EGBERO CCc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224312 459258454 /nfs/dbraw/zinc/25/84/54/459258454.db2.gz CNSGPFHHRRMWFI-SJORKVTESA-N 1 0 345.443 3.152 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3C3(O)CC3)co2)cc1 ZINC000590969147 459286557 /nfs/dbraw/zinc/28/65/57/459286557.db2.gz OVGKFYMLMUNJQJ-INIZCTEOSA-N 1 0 343.383 3.129 10 5 EGBERO CC[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595423166 459295320 /nfs/dbraw/zinc/29/53/20/459295320.db2.gz ZRHZEXUHKZJMAR-XLNGHYISSA-N 1 0 331.416 3.083 10 5 EGBERO COc1ccc(OCCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000534513184 459330167 /nfs/dbraw/zinc/33/01/67/459330167.db2.gz MGKCVVNBGAMQCX-UHFFFAOYSA-N 1 0 342.395 3.431 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000595557870 459345315 /nfs/dbraw/zinc/34/53/15/459345315.db2.gz CIIMCVMAYZKHFH-DMDPSCGWSA-N 1 0 326.418 3.208 10 5 EGBERO CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595661923 459388184 /nfs/dbraw/zinc/38/81/84/459388184.db2.gz CVWGJKXMSZTNGE-HZPDHXFCSA-N 1 0 348.447 3.218 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)CCN(C)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000540925869 459403777 /nfs/dbraw/zinc/40/37/77/459403777.db2.gz AIHPMXPKVBJWCD-CQSZACIVSA-N 1 0 342.399 3.002 10 5 EGBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000582673653 459408272 /nfs/dbraw/zinc/40/82/72/459408272.db2.gz UDFYIRDQBDMZKK-LBPRGKRZSA-N 1 0 349.353 3.118 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000595732736 459418626 /nfs/dbraw/zinc/41/86/26/459418626.db2.gz HXVFLBCGDAWTKV-ZACQAIPSSA-N 1 0 332.400 3.149 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908184 459481340 /nfs/dbraw/zinc/48/13/40/459481340.db2.gz ZNANHVGQGPTPSO-DOTOQJQBSA-N 1 0 335.448 3.007 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907634 459481446 /nfs/dbraw/zinc/48/14/46/459481446.db2.gz CCOLFWLUTVSBGA-KDURUIRLSA-N 1 0 346.427 3.386 10 5 EGBERO O=C(CC[NH2+][C@@H](c1cccnc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000525834862 459502383 /nfs/dbraw/zinc/50/23/83/459502383.db2.gz INXZDHFVLSOWON-GOSISDBHSA-N 1 0 340.383 3.059 10 5 EGBERO COC(=O)c1c(Cl)c(NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000596075517 459509428 /nfs/dbraw/zinc/50/94/28/459509428.db2.gz FKGMPBUCMMIJPF-UHFFFAOYSA-N 1 0 343.811 3.177 10 5 EGBERO COc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596079757 459510885 /nfs/dbraw/zinc/51/08/85/459510885.db2.gz WYFPCWYQTXPJJQ-SNVBAGLBSA-N 1 0 325.796 3.153 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592199223 459546820 /nfs/dbraw/zinc/54/68/20/459546820.db2.gz YQUIAHKFMZMPPR-OAHLLOKOSA-N 1 0 331.416 3.496 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592377397 459585769 /nfs/dbraw/zinc/58/57/69/459585769.db2.gz VTMSREPLJLQQBU-NEPOYKIFSA-N 1 0 336.457 3.497 10 5 EGBERO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392419 459588912 /nfs/dbraw/zinc/58/89/12/459588912.db2.gz SUNZRTXPPBRBEL-GHMZBOCLSA-N 1 0 329.347 3.193 10 5 EGBERO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446642 459600876 /nfs/dbraw/zinc/60/08/76/459600876.db2.gz KYYXLKHYBYEPIV-SJLPKXTDSA-N 1 0 346.427 3.011 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592538626 459628812 /nfs/dbraw/zinc/62/88/12/459628812.db2.gz ZDJSFXBSWWZWSQ-CVEARBPZSA-N 1 0 345.443 3.124 10 5 EGBERO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000593112668 459776019 /nfs/dbraw/zinc/77/60/19/459776019.db2.gz HZXKBGRNFADRHE-UHFFFAOYSA-N 1 0 340.305 3.089 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000593189668 459802017 /nfs/dbraw/zinc/80/20/17/459802017.db2.gz XQNDRVXBGGOQLS-GRYCIOLGSA-N 1 0 339.823 3.110 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593203005 459807462 /nfs/dbraw/zinc/80/74/62/459807462.db2.gz CUJYXURVEKEVFZ-UHFFFAOYSA-N 1 0 341.839 3.264 10 5 EGBERO O=[N+]([O-])c1ccccc1CN(Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000596979272 459808847 /nfs/dbraw/zinc/80/88/47/459808847.db2.gz JMJVFVNUDMDNLI-UHFFFAOYSA-N 1 0 349.394 3.340 10 5 EGBERO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cnc1C)C1CCCCC1 ZINC000593248051 459819139 /nfs/dbraw/zinc/81/91/39/459819139.db2.gz ALASDIKRPOIEKD-UHFFFAOYSA-N 1 0 348.447 3.073 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1CN1CCC(c3ccco3)CC1)OCCO2 ZINC000597179819 459865371 /nfs/dbraw/zinc/86/53/71/459865371.db2.gz MHZKCJZWOMEKPG-UHFFFAOYSA-N 1 0 344.367 3.339 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC1CC[NH+](CC2CC2)CC1 ZINC000593455267 459894231 /nfs/dbraw/zinc/89/42/31/459894231.db2.gz QVCDEXARDJVUDN-UHFFFAOYSA-N 1 0 326.400 3.429 10 5 EGBERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465968 459898028 /nfs/dbraw/zinc/89/80/28/459898028.db2.gz DJIDNHGMSJGJRE-CXAGYDPISA-N 1 0 326.400 3.064 10 5 EGBERO Cc1cnc(OC2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000594019944 460058722 /nfs/dbraw/zinc/05/87/22/460058722.db2.gz TWCLHTPHGKQMNV-AWEZNQCLSA-N 1 0 342.399 3.298 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000598937975 460095591 /nfs/dbraw/zinc/09/55/91/460095591.db2.gz ARAFHWPUXLKPHV-SUMWQHHRSA-N 1 0 326.400 3.087 10 5 EGBERO Cn1ccnc1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610272682 460100594 /nfs/dbraw/zinc/10/05/94/460100594.db2.gz AOQCONMSBJQPIZ-SFHVURJKSA-N 1 0 336.395 3.402 10 5 EGBERO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599054751 460142928 /nfs/dbraw/zinc/14/29/28/460142928.db2.gz NGADJBBNBLMYIE-OAHLLOKOSA-N 1 0 340.427 3.311 10 5 EGBERO C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000599056770 460143494 /nfs/dbraw/zinc/14/34/94/460143494.db2.gz NNLGUMUHLKZCQR-SCLBCKFNSA-N 1 0 328.368 3.476 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073664 460152820 /nfs/dbraw/zinc/15/28/20/460152820.db2.gz GQKYFKKERHTZFJ-ZWKOTPCHSA-N 1 0 339.395 3.462 10 5 EGBERO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220992 460210743 /nfs/dbraw/zinc/21/07/43/460210743.db2.gz SWELNWHSUZXECZ-GFCCVEGCSA-N 1 0 337.445 3.102 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221525 460211255 /nfs/dbraw/zinc/21/12/55/460211255.db2.gz XDEUODNIYROTKY-AWEZNQCLSA-N 1 0 331.416 3.040 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)c1 ZINC000599553023 460274030 /nfs/dbraw/zinc/27/40/30/460274030.db2.gz QPAKHUXDAGMJJP-KGLIPLIRSA-N 1 0 346.412 3.115 10 5 EGBERO CCOC(=O)CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000610997783 460275721 /nfs/dbraw/zinc/27/57/21/460275721.db2.gz GMDMMLZZMFTNJR-UHFFFAOYSA-N 1 0 334.416 3.459 10 5 EGBERO CCOC(=O)CCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610997612 460275984 /nfs/dbraw/zinc/27/59/84/460275984.db2.gz ZIQSWJSWUVSWSG-UHFFFAOYSA-N 1 0 334.416 3.193 10 5 EGBERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625184 460291110 /nfs/dbraw/zinc/29/11/10/460291110.db2.gz GXKRVIKEXZIQBN-HJHSNUOESA-N 1 0 346.387 3.107 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(Cl)o1 ZINC000604478728 460432114 /nfs/dbraw/zinc/43/21/14/460432114.db2.gz IRAFUKXGDSAOQK-SNVBAGLBSA-N 1 0 337.763 3.348 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000611712918 460436313 /nfs/dbraw/zinc/43/63/13/460436313.db2.gz STBUTAOKNHBKRS-QZTJIDSGSA-N 1 0 349.394 3.395 10 5 EGBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555663 460831271 /nfs/dbraw/zinc/83/12/71/460831271.db2.gz FQESMXVSNOVAOL-BXUZGUMPSA-N 1 0 345.424 3.024 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000613178526 460853280 /nfs/dbraw/zinc/85/32/80/460853280.db2.gz MQLKAPJOFFRSSH-MRXNPFEDSA-N 1 0 327.384 3.063 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601665169 460863297 /nfs/dbraw/zinc/86/32/97/460863297.db2.gz DZWANPCIBNJXMY-HNNXBMFYSA-N 1 0 345.443 3.006 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601743560 460888239 /nfs/dbraw/zinc/88/82/39/460888239.db2.gz AWILLVOGCLHUKR-UHFFFAOYSA-N 1 0 331.416 3.075 10 5 EGBERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174451036 533890341 /nfs/dbraw/zinc/89/03/41/533890341.db2.gz MBTDPCCHPPNYIC-ZYHUDNBSSA-N 1 0 340.811 3.195 10 5 EGBERO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000174187689 534184832 /nfs/dbraw/zinc/18/48/32/534184832.db2.gz PILRQPYPALHQQD-GOOCMWNKSA-N 1 0 332.404 3.040 10 5 EGBERO CC[NH+](CC)CCSCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000174024756 528163715 /nfs/dbraw/zinc/16/37/15/528163715.db2.gz FVZUKAIYAXAXJD-UHFFFAOYSA-N 1 0 336.417 3.220 10 5 EGBERO CC[NH+](CC)C[C@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182901480 528181651 /nfs/dbraw/zinc/18/16/51/528181651.db2.gz UQEFRKXMHNTASE-OKACTXMXSA-N 1 0 345.443 3.188 10 5 EGBERO COc1cc(CNc2cc3c(c[nH+]2)CCC3)c([N+](=O)[O-])cc1OC ZINC000339554542 536814746 /nfs/dbraw/zinc/81/47/46/536814746.db2.gz LCJWWHLGLVDHKF-UHFFFAOYSA-N 1 0 329.356 3.108 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871154403 1296243801 /nfs/dbraw/zinc/24/38/01/1296243801.db2.gz HDRUZEUITRIBFS-UHFFFAOYSA-N 1 0 333.432 3.076 10 5 EGBERO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872021030 1296664047 /nfs/dbraw/zinc/66/40/47/1296664047.db2.gz MXKNEWDEXHHDGG-GFCCVEGCSA-N 1 0 332.379 3.160 10 5 EGBERO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030915 1296678974 /nfs/dbraw/zinc/67/89/74/1296678974.db2.gz KQIXVTPHWGKJNX-SNVBAGLBSA-N 1 0 349.328 3.411 10 5 EGBERO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCOC1 ZINC000872073655 1296719955 /nfs/dbraw/zinc/71/99/55/1296719955.db2.gz UGZWRSLILKKCLD-PBHICJAKSA-N 1 0 331.416 3.413 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000872084857 1296725553 /nfs/dbraw/zinc/72/55/53/1296725553.db2.gz IXCXLDCDUDCMCA-RNCFNFMXSA-N 1 0 332.372 3.392 10 5 EGBERO C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087602 1296726647 /nfs/dbraw/zinc/72/66/47/1296726647.db2.gz FUOJDNWONURDGR-GFCCVEGCSA-N 1 0 337.395 3.210 10 5 EGBERO O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000872118350 1296743674 /nfs/dbraw/zinc/74/36/74/1296743674.db2.gz YDWRGSQJNQRSGV-ZOBUZTSGSA-N 1 0 346.427 3.239 10 5 EGBERO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000857931028 1328631041 /nfs/dbraw/zinc/63/10/41/1328631041.db2.gz TXNPBAXNFDTLNX-CQSZACIVSA-N 1 0 345.424 3.180 10 5 EGBERO COc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000858781531 1328859731 /nfs/dbraw/zinc/85/97/31/1328859731.db2.gz WSQAKXHYNQFTLV-CYBMUJFWSA-N 1 0 335.404 3.041 10 5 EGBERO CCc1[nH]nc(Cl)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000922134708 1322463056 /nfs/dbraw/zinc/46/30/56/1322463056.db2.gz RIZXWOATDWCAKL-UHFFFAOYSA-N 1 0 347.806 3.347 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)c2c1 ZINC000922134678 1322463114 /nfs/dbraw/zinc/46/31/14/1322463114.db2.gz QUOULCRDIFOXKY-VNQPRFMTSA-N 1 0 343.427 3.413 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922171420 1322470891 /nfs/dbraw/zinc/47/08/91/1322470891.db2.gz JQRAYIUEUFLZTE-UHFFFAOYSA-N 1 0 345.443 3.220 10 5 EGBERO Cc1c(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922672392 1322584936 /nfs/dbraw/zinc/58/49/36/1322584936.db2.gz CFKJJKRRDWXYEL-GXTWGEPZSA-N 1 0 332.322 3.493 10 5 EGBERO COc1ccc(C[NH2+][C@H](C)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000924840167 1323184557 /nfs/dbraw/zinc/18/45/57/1323184557.db2.gz BEODWNNJYBPBDR-GFCCVEGCSA-N 1 0 330.388 3.376 10 5 EGBERO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371741 1329105642 /nfs/dbraw/zinc/10/56/42/1329105642.db2.gz FKDUIHQMGMVZMT-CYBMUJFWSA-N 1 0 337.383 3.246 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)c2c1 ZINC000926440762 1325556148 /nfs/dbraw/zinc/55/61/48/1325556148.db2.gz SFHPMEZVWGGZBB-DNVCBOLYSA-N 1 0 343.427 3.413 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000926946684 1327789163 /nfs/dbraw/zinc/78/91/63/1327789163.db2.gz DTSKVAAHKNAEIG-QCNOEVLYSA-N 1 0 332.326 3.063 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000926959390 1327797368 /nfs/dbraw/zinc/79/73/68/1327797368.db2.gz SJZIHFKUNTZDAH-IINYFYTJSA-N 1 0 349.353 3.137 10 5 EGBERO O=C(OCC12CCC[NH+](CCC1)C2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000861362552 1329413113 /nfs/dbraw/zinc/41/31/13/1329413113.db2.gz CUTBIRYODRBYSO-DLBZAZTESA-N 1 0 344.411 3.118 10 5 EGBERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861938536 1329451734 /nfs/dbraw/zinc/45/17/34/1329451734.db2.gz KDLFILKADJXDIU-HNNXBMFYSA-N 1 0 341.411 3.303 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863032613 1329524896 /nfs/dbraw/zinc/52/48/96/1329524896.db2.gz QBCZOJCEBRSCSR-RXXLQFRUSA-N 1 0 343.427 3.131 10 5 EGBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866055595 1330060349 /nfs/dbraw/zinc/06/03/49/1330060349.db2.gz YXVVYLBPWYUTRU-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO CO[C@H](CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000866346132 1330099861 /nfs/dbraw/zinc/09/98/61/1330099861.db2.gz UPRGTNMOYZNRTQ-NOZJJQNGSA-N 1 0 338.301 3.222 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000866392985 1330105734 /nfs/dbraw/zinc/10/57/34/1330105734.db2.gz KCKMTOVQNKPBGJ-VBHSOAQHSA-N 1 0 332.375 3.377 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000866706114 1330143322 /nfs/dbraw/zinc/14/33/22/1330143322.db2.gz MCSCLNBSTLCIKT-MRXNPFEDSA-N 1 0 325.840 3.445 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000868091958 1330248070 /nfs/dbraw/zinc/24/80/70/1330248070.db2.gz SYYBSKZXQJLJLF-LLVKDONJSA-N 1 0 340.811 3.148 10 5 EGBERO C[C@H]1CCC[N@@H+](C(C)(C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001185158073 1387628934 /nfs/dbraw/zinc/62/89/34/1387628934.db2.gz KZCKXNXLXYYNFF-LBPRGKRZSA-N 1 0 331.420 3.394 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC001324557368 1387673145 /nfs/dbraw/zinc/67/31/45/1387673145.db2.gz ZGFUAAWHUZGYAC-GDBMZVCRSA-N 1 0 335.404 3.330 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001197231320 1368767964 /nfs/dbraw/zinc/76/79/64/1368767964.db2.gz VYUVYAZRTXMZAC-XHDPSFHLSA-N 1 0 327.340 3.120 10 5 EGBERO CC(C)C[N@H+](C)CCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001186914909 1388028268 /nfs/dbraw/zinc/02/82/68/1388028268.db2.gz RZGAQUOCORFVEJ-UHFFFAOYSA-N 1 0 334.395 3.094 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001203699611 1370224418 /nfs/dbraw/zinc/22/44/18/1370224418.db2.gz XRADOBCAUHKEKU-CECLQJIQSA-N 1 0 344.386 3.330 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC001127595164 1373144746 /nfs/dbraw/zinc/14/47/46/1373144746.db2.gz OWHHFSLATMFJRG-RYUDHWBXSA-N 1 0 339.823 3.111 10 5 EGBERO CC(C)c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001129808644 1373425319 /nfs/dbraw/zinc/42/53/19/1373425319.db2.gz AMUCMVNSXNCLKU-UHFFFAOYSA-N 1 0 333.432 3.322 10 5 EGBERO CCCCC(=O)N1CCC(C)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001327970754 1388635607 /nfs/dbraw/zinc/63/56/07/1388635607.db2.gz KJVKDFPQCGSAND-UHFFFAOYSA-N 1 0 339.461 3.317 10 5 EGBERO CCC[N@@H+]1CC[C@H](CNc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])C1 ZINC001162258765 1382709559 /nfs/dbraw/zinc/70/95/59/1382709559.db2.gz ROMLPGNPXRGRPI-CQSZACIVSA-N 1 0 349.431 3.224 10 5 EGBERO CC[N@@H+]1CCC[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001164243282 1383170442 /nfs/dbraw/zinc/17/04/42/1383170442.db2.gz JYDZHXFNIDMXFQ-LBPRGKRZSA-N 1 0 334.807 3.115 10 5 EGBERO Cc1cnc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001164400646 1383184353 /nfs/dbraw/zinc/18/43/53/1383184353.db2.gz HTVBNLXCPFXLOD-AWEZNQCLSA-N 1 0 332.791 3.103 10 5 EGBERO CC[C@H](C)[N@@H+](CCc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC001307439194 1383991085 /nfs/dbraw/zinc/99/10/85/1383991085.db2.gz RGAVKQVHXNJEQS-AWEZNQCLSA-N 1 0 334.395 3.274 10 5 EGBERO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670343 1384010443 /nfs/dbraw/zinc/01/04/43/1384010443.db2.gz RAHOISPNNNOVNE-DZGCQCFKSA-N 1 0 335.423 3.477 10 5 EGBERO Cc1c(CN2CC[NH+](CCCOC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001308034293 1384078025 /nfs/dbraw/zinc/07/80/25/1384078025.db2.gz UZWKJNJVWKDPKH-UHFFFAOYSA-N 1 0 349.475 3.226 10 5 EGBERO CCOc1cc(CN2CC[N@H+](C3CCCC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001308080022 1384087361 /nfs/dbraw/zinc/08/73/61/1384087361.db2.gz SIRLQBJVVDDUMU-OAHLLOKOSA-N 1 0 347.459 3.442 10 5 EGBERO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001308084757 1384089632 /nfs/dbraw/zinc/08/96/32/1384089632.db2.gz ZWTVQEWVWLZCQJ-UHFFFAOYSA-N 1 0 332.331 3.137 10 5 EGBERO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313697 1384339128 /nfs/dbraw/zinc/33/91/28/1384339128.db2.gz WXKZYEWNLCYTFB-KBRIMQKVSA-N 1 0 348.447 3.028 10 5 EGBERO Cc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001170592714 1384346561 /nfs/dbraw/zinc/34/65/61/1384346561.db2.gz GOJRRAUXZBUXPU-OAHLLOKOSA-N 1 0 341.411 3.405 10 5 EGBERO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176281781 1385537492 /nfs/dbraw/zinc/53/74/92/1385537492.db2.gz PTFMRFHXYLJCPY-CYBMUJFWSA-N 1 0 346.818 3.354 10 5 EGBERO Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111880 1390441882 /nfs/dbraw/zinc/44/18/82/1390441882.db2.gz NHWSRTCGQHSBOM-ZBFHGGJFSA-N 1 0 330.363 3.295 10 5 EGBERO CC(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480205173 1392622838 /nfs/dbraw/zinc/62/28/38/1392622838.db2.gz GCUSKQLDAWFXRJ-GASCZTMLSA-N 1 0 333.432 3.014 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)CC=CC1 ZINC001484649072 1395461057 /nfs/dbraw/zinc/46/10/57/1395461057.db2.gz FSDLDTBWWJBGQM-UHFFFAOYSA-N 1 0 349.456 3.141 10 5 EGBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001485693990 1396104753 /nfs/dbraw/zinc/10/47/53/1396104753.db2.gz UMXAEKQTJZPIBF-STKGXRFCSA-N 1 0 349.456 3.163 10 5 EGBERO C/C(=C\C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC001501920801 1396196263 /nfs/dbraw/zinc/19/62/63/1396196263.db2.gz BESFDQNTWQILFR-SDNWHVSQSA-N 1 0 343.427 3.080 10 5 EGBERO CC[N@H+](CCNC(=O)C(C)(C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001492963494 1396329953 /nfs/dbraw/zinc/32/99/53/1396329953.db2.gz UMXSFWBQNNHFQA-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001690300273 1404460032 /nfs/dbraw/zinc/46/00/32/1404460032.db2.gz VVXZAIFSLLUAHS-SHTZXODSSA-N 1 0 333.432 3.158 10 5 EGBERO CC(C)c1ccoc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691444903 1405272642 /nfs/dbraw/zinc/27/26/42/1405272642.db2.gz SJOLOUVMQCIZKE-UHFFFAOYSA-N 1 0 345.399 3.173 10 5 EGBERO CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001691726915 1405450209 /nfs/dbraw/zinc/45/02/09/1405450209.db2.gz GZDIBNOSIVRVCT-IYBDPMFKSA-N 1 0 345.443 3.160 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)CCC1 ZINC001732395885 1428563304 /nfs/dbraw/zinc/56/33/04/1428563304.db2.gz IAZNKMJCUYEEOE-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC(C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001699244114 1412595035 /nfs/dbraw/zinc/59/50/35/1412595035.db2.gz IBFUSKBUFZJHBO-SNAWJCMRSA-N 1 0 343.427 3.247 10 5 EGBERO CC[N@H+](CCNC(=O)c1cc(C)oc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713480686 1418166060 /nfs/dbraw/zinc/16/60/60/1418166060.db2.gz HFZAHKGIZWBEGQ-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CCCC(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001714243705 1419031658 /nfs/dbraw/zinc/03/16/58/1419031658.db2.gz JXCOLTAQDFTFHC-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC(C)(C)C(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001714289141 1419067378 /nfs/dbraw/zinc/06/73/78/1419067378.db2.gz XEDTXHFVVIBEFX-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC(C)=CC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001715085055 1419822758 /nfs/dbraw/zinc/82/27/58/1419822758.db2.gz SGNZNWNPZRTAIP-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001715713926 1420306976 /nfs/dbraw/zinc/30/69/76/1420306976.db2.gz MOFFFYQOTZTESY-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(CC1=CCCCC1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001715798164 1420347462 /nfs/dbraw/zinc/34/74/62/1420347462.db2.gz XZAPODUNPYTYTE-SREVYHEPSA-N 1 0 343.427 3.247 10 5 EGBERO CCCCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001717127027 1421128913 /nfs/dbraw/zinc/12/89/13/1421128913.db2.gz LBXDJRRBIHRLFC-UHFFFAOYSA-N 1 0 345.443 3.209 10 5 EGBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001717646945 1421548626 /nfs/dbraw/zinc/54/86/26/1421548626.db2.gz LIEMFIDZMLRHSY-RVLZMGELSA-N 1 0 343.427 3.102 10 5 EGBERO C/C=C(\C)C(=O)N1CCC(CC)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001724881361 1425261869 /nfs/dbraw/zinc/26/18/69/1425261869.db2.gz JMGXGKODIRPMHG-SYZQJQIISA-N 1 0 345.443 3.422 10 5 EGBERO CCCC(=O)N1CCC(CC)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001724883050 1425264421 /nfs/dbraw/zinc/26/44/21/1425264421.db2.gz GNLRPWSYZIZDFR-UHFFFAOYSA-N 1 0 333.432 3.256 10 5 EGBERO CC(C)(C)CC(=O)NCC1=CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001725806579 1426485166 /nfs/dbraw/zinc/48/51/66/1426485166.db2.gz CYJXGKYBOQZDQO-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174757285 231300592 /nfs/dbraw/zinc/30/05/92/231300592.db2.gz PASPPPMJBPYCOB-CABCVRRESA-N 1 0 346.431 3.382 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000035273824 213017103 /nfs/dbraw/zinc/01/71/03/213017103.db2.gz YOHSJGJURKNXTF-TVQRCGJNSA-N 1 0 329.194 3.014 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245979673 243177960 /nfs/dbraw/zinc/17/79/60/243177960.db2.gz GTXUGHGGJUOIKE-WFASDCNBSA-N 1 0 334.420 3.097 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094076051 218263540 /nfs/dbraw/zinc/26/35/40/218263540.db2.gz WEOJUTDLMXSHMG-UHFFFAOYSA-N 1 0 347.459 3.372 10 5 EGBERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185435928 144112180 /nfs/dbraw/zinc/11/21/80/144112180.db2.gz ICCHINBNXWHHOM-GFCCVEGCSA-N 1 0 339.823 3.243 10 5 EGBERO CO[C@@H](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000345493914 144246411 /nfs/dbraw/zinc/24/64/11/144246411.db2.gz WOBOWXJXVHFCJS-ZFWWWQNUSA-N 1 0 346.349 3.473 10 5 EGBERO COc1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000305820064 154132110 /nfs/dbraw/zinc/13/21/10/154132110.db2.gz KZZMGRBFGFKIOS-INIZCTEOSA-N 1 0 330.384 3.159 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000349071662 156342329 /nfs/dbraw/zinc/34/23/29/156342329.db2.gz GOJLDECCTBYNOK-INIZCTEOSA-N 1 0 328.368 3.175 10 5 EGBERO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000338334745 163214575 /nfs/dbraw/zinc/21/45/75/163214575.db2.gz PQUZYVPEMPKBGQ-UHFFFAOYSA-N 1 0 326.780 3.214 10 5 EGBERO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@]3(CCCOC3)C2)c(F)c1 ZINC000352047183 165208647 /nfs/dbraw/zinc/20/86/47/165208647.db2.gz KSEDFHVHLNBHHP-MRXNPFEDSA-N 1 0 326.343 3.266 10 5 EGBERO Cc1csc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000275237068 267332978 /nfs/dbraw/zinc/33/29/78/267332978.db2.gz WNLISSPOQPVMBI-UHFFFAOYSA-N 1 0 333.413 3.408 10 5 EGBERO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555310 274319529 /nfs/dbraw/zinc/31/95/29/274319529.db2.gz KENKIBNXMYOIQT-LJHODMEESA-N 1 0 343.427 3.212 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286636939 276026011 /nfs/dbraw/zinc/02/60/11/276026011.db2.gz SUTHWJBYISJRCY-OSMZGAPFSA-N 1 0 332.322 3.149 10 5 EGBERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000354132819 276235763 /nfs/dbraw/zinc/23/57/63/276235763.db2.gz ZUMIFOMVSCMPJY-RBUKOAKNSA-N 1 0 347.459 3.013 10 5 EGBERO CC(=O)c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264589257 278246662 /nfs/dbraw/zinc/24/66/62/278246662.db2.gz LIIMSWHLARMJQV-INIZCTEOSA-N 1 0 331.416 3.252 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187806463 281192052 /nfs/dbraw/zinc/19/20/52/281192052.db2.gz ZOZQMTOYSCQSGK-JKSUJKDBSA-N 1 0 345.443 3.417 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248647582 308008322 /nfs/dbraw/zinc/00/83/22/308008322.db2.gz TUAWEPYQRPVTJD-LPHOPBHVSA-N 1 0 329.444 3.352 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294780715 308256156 /nfs/dbraw/zinc/25/61/56/308256156.db2.gz GSNYRDIIEGEHMJ-LLVKDONJSA-N 1 0 327.812 3.017 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)C(F)F ZINC000295028605 308283170 /nfs/dbraw/zinc/28/31/70/308283170.db2.gz LKQMYDCEYIBQGZ-ZFWWWQNUSA-N 1 0 340.326 3.349 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000415582903 309137510 /nfs/dbraw/zinc/13/75/10/309137510.db2.gz PYFGDADBFRHBKL-UHFFFAOYSA-N 1 0 334.420 3.385 10 5 EGBERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415689086 309141183 /nfs/dbraw/zinc/14/11/83/309141183.db2.gz CMDODCKXVQXGHU-QWHCGFSZSA-N 1 0 348.447 3.483 10 5 EGBERO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415696401 309141277 /nfs/dbraw/zinc/14/12/77/309141277.db2.gz SBHLJAFXAACAAD-YPMHNXCESA-N 1 0 334.420 3.154 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000415701388 309141335 /nfs/dbraw/zinc/14/13/35/309141335.db2.gz OFKKVGWOMJUNRD-UHFFFAOYSA-N 1 0 334.420 3.284 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000415705730 309141497 /nfs/dbraw/zinc/14/14/97/309141497.db2.gz UERFDWLTUXECHB-ZDUSSCGKSA-N 1 0 348.447 3.485 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000415938265 309150089 /nfs/dbraw/zinc/15/00/89/309150089.db2.gz ARKMZCHSGSWGNM-UHFFFAOYSA-N 1 0 342.399 3.368 10 5 EGBERO C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417140042 309194696 /nfs/dbraw/zinc/19/46/96/309194696.db2.gz PFJUCVBKMXYMPG-CYBMUJFWSA-N 1 0 334.420 3.007 10 5 EGBERO N[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247152 309392203 /nfs/dbraw/zinc/39/22/03/309392203.db2.gz QCZROXMZKULOBP-ROUUACIJSA-N 1 0 325.412 3.206 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000446309920 309960052 /nfs/dbraw/zinc/96/00/52/309960052.db2.gz DZWYYKCOAZSPQF-LLVKDONJSA-N 1 0 341.839 3.263 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3ccccc3C2)n1 ZINC000447510489 309980300 /nfs/dbraw/zinc/98/03/00/309980300.db2.gz PHJJYPMUKZIDKU-KZNAEPCWSA-N 1 0 340.427 3.422 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COc3ccccc3O1)CCC2 ZINC000447514514 309980495 /nfs/dbraw/zinc/98/04/95/309980495.db2.gz FUBWUWOJKZYYEJ-DOTOQJQBSA-N 1 0 340.379 3.402 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449543880 310070426 /nfs/dbraw/zinc/07/04/26/310070426.db2.gz UXIFAEAFRLFTBV-FUHWJXTLSA-N 1 0 327.384 3.308 10 5 EGBERO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000449757999 310084794 /nfs/dbraw/zinc/08/47/94/310084794.db2.gz FSKVTEILPUVBPH-UHFFFAOYSA-N 1 0 337.367 3.115 10 5 EGBERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCCC2 ZINC000450962673 310152270 /nfs/dbraw/zinc/15/22/70/310152270.db2.gz CIDGFQJYJNCHMP-IRXDYDNUSA-N 1 0 334.416 3.431 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000489495950 311108914 /nfs/dbraw/zinc/10/89/14/311108914.db2.gz JZQWHQASCQBJPQ-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000515870313 312301982 /nfs/dbraw/zinc/30/19/82/312301982.db2.gz VLMLFNJGPLFCRM-ZFWWWQNUSA-N 1 0 331.416 3.057 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNC(=O)CC1CCCCC1 ZINC000551535936 315157924 /nfs/dbraw/zinc/15/79/24/315157924.db2.gz DNHLYUGKHGGJGP-UHFFFAOYSA-N 1 0 333.432 3.079 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cc2c(c[nH+]1)CCC2 ZINC000552138552 315201347 /nfs/dbraw/zinc/20/13/47/315201347.db2.gz WSBAYBKVDLVFKR-LBPRGKRZSA-N 1 0 340.383 3.308 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@H]1n1cccn1 ZINC000559925422 315650664 /nfs/dbraw/zinc/65/06/64/315650664.db2.gz YFWATCODSRBHGU-RNJTYBCJSA-N 1 0 344.415 3.169 10 5 EGBERO COC(=O)CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000566341330 316460043 /nfs/dbraw/zinc/46/00/43/316460043.db2.gz SDOVNMHBMIBKEJ-UHFFFAOYSA-N 1 0 330.340 3.040 10 5 EGBERO CC(C)(C)n1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000578933564 325037872 /nfs/dbraw/zinc/03/78/72/325037872.db2.gz URMYAXAXOAYBTF-UHFFFAOYSA-N 1 0 341.415 3.360 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000579897868 325172077 /nfs/dbraw/zinc/17/20/77/325172077.db2.gz NVZYMLGVXOWPTH-PTNGSMBKSA-N 1 0 345.443 3.235 10 5 EGBERO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310833 455275540 /nfs/dbraw/zinc/27/55/40/455275540.db2.gz DTFAEPKLRXCCMC-MRXNPFEDSA-N 1 0 333.432 3.032 10 5 EGBERO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183397902 455287073 /nfs/dbraw/zinc/28/70/73/455287073.db2.gz UUDHINASDPFXCS-OAHLLOKOSA-N 1 0 334.416 3.459 10 5 EGBERO COC(=O)c1cc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)cc([N+](=O)[O-])c1 ZINC000600787596 460604212 /nfs/dbraw/zinc/60/42/12/460604212.db2.gz BLSXEEAAUNKLAE-CQSZACIVSA-N 1 0 340.379 3.200 10 5 EGBERO C[C@@H]1C[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)C[NH2+]1 ZINC000600791779 460607804 /nfs/dbraw/zinc/60/78/04/460607804.db2.gz HKJRWSQKXXGTEE-DYVFJYSZSA-N 1 0 326.396 3.262 10 5 EGBERO COc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000066796452 453874242 /nfs/dbraw/zinc/87/42/42/453874242.db2.gz DXMPAIRWBGVEDU-KRWDZBQOSA-N 1 0 342.399 3.247 10 5 EGBERO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000067446290 453931273 /nfs/dbraw/zinc/93/12/73/453931273.db2.gz UUKLRBULXMCUIS-ZDUSSCGKSA-N 1 0 327.384 3.147 10 5 EGBERO COc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000089580657 454163077 /nfs/dbraw/zinc/16/30/77/454163077.db2.gz STPNIHFTICOMQO-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO O=[N+]([O-])c1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c(F)c1 ZINC000600885925 460631007 /nfs/dbraw/zinc/63/10/07/460631007.db2.gz ZQOBDMVURQAFAE-NHYWBVRUSA-N 1 0 349.387 3.393 10 5 EGBERO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000120986363 454374180 /nfs/dbraw/zinc/37/41/80/454374180.db2.gz LRIXPKVNFYTEIE-PDFOZTTASA-N 1 0 347.459 3.041 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134735511 454583933 /nfs/dbraw/zinc/58/39/33/454583933.db2.gz WBPSPANCFPHJEV-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000123222226 454616956 /nfs/dbraw/zinc/61/69/56/454616956.db2.gz OSSKTYUFXLBYJS-CYBMUJFWSA-N 1 0 344.367 3.240 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=C(c3cccs3)CC2)c1 ZINC000137064555 454767215 /nfs/dbraw/zinc/76/72/15/454767215.db2.gz WOSZZIYXSRDMDJ-INIZCTEOSA-N 1 0 330.409 3.479 10 5 EGBERO CC[C@@H]([NH3+])CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000111304657 454861126 /nfs/dbraw/zinc/86/11/26/454861126.db2.gz NBTNCCIEIWLYMP-SECBINFHSA-N 1 0 339.193 3.055 10 5 EGBERO CC(C)c1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000179222540 455021139 /nfs/dbraw/zinc/02/11/39/455021139.db2.gz QLTFEOAKLXALLC-AWEZNQCLSA-N 1 0 329.400 3.231 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000183345156 455280048 /nfs/dbraw/zinc/28/00/48/455280048.db2.gz RWUAXAIORHKWHT-IBGZPJMESA-N 1 0 326.396 3.385 10 5 EGBERO COc1ccc(OCC[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000184181941 455359133 /nfs/dbraw/zinc/35/91/33/455359133.db2.gz KTOFGUIBMGAQQJ-NSHDSACASA-N 1 0 337.401 3.098 10 5 EGBERO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184287523 455369188 /nfs/dbraw/zinc/36/91/88/455369188.db2.gz IOVZOVHTCXOLFG-ZZKQDXLVSA-N 1 0 332.425 3.041 10 5 EGBERO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000265820337 455387830 /nfs/dbraw/zinc/38/78/30/455387830.db2.gz XXYKITBNBJJSDJ-CQSZACIVSA-N 1 0 326.805 3.307 10 5 EGBERO C[C@H]1COCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000277900520 455701878 /nfs/dbraw/zinc/70/18/78/455701878.db2.gz OYSZXBFHWDLIRW-NHYWBVRUSA-N 1 0 333.413 3.233 10 5 EGBERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000277900515 455702015 /nfs/dbraw/zinc/70/20/15/455702015.db2.gz OYSZXBFHWDLIRW-ABAIWWIYSA-N 1 0 333.413 3.233 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285568167 455871410 /nfs/dbraw/zinc/87/14/10/455871410.db2.gz NNVHWVAJWKBSBY-RISCZKNCSA-N 1 0 332.322 3.435 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000270116510 455880953 /nfs/dbraw/zinc/88/09/53/455880953.db2.gz NUSLEGOYLGJBHH-ZLOXQWCVSA-N 1 0 332.425 3.491 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000296378345 455923003 /nfs/dbraw/zinc/92/30/03/455923003.db2.gz JLRZOVBOYYJDFJ-CHIMOYNISA-N 1 0 332.347 3.049 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000270481690 455965679 /nfs/dbraw/zinc/96/56/79/455965679.db2.gz FWKPPTCTYZDSAX-KRWDZBQOSA-N 1 0 345.374 3.123 10 5 EGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469222 456123289 /nfs/dbraw/zinc/12/32/89/456123289.db2.gz HUULCAKWGIUZHH-GUTXKFCHSA-N 1 0 335.835 3.477 10 5 EGBERO COc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000301637812 456170707 /nfs/dbraw/zinc/17/07/07/456170707.db2.gz XNCZJYKLOWXYFQ-INIZCTEOSA-N 1 0 333.363 3.457 10 5 EGBERO COC(=O)c1cc(NC2CC[NH+](C(C)(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301708597 456194058 /nfs/dbraw/zinc/19/40/58/456194058.db2.gz WRSIOMNXQMUFDP-UHFFFAOYSA-N 1 0 349.431 3.365 10 5 EGBERO CC(C)c1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000275885410 456341035 /nfs/dbraw/zinc/34/10/35/456341035.db2.gz PLEZLNDZDLIBGH-MQVJKMGUSA-N 1 0 345.443 3.463 10 5 EGBERO O=[N+]([O-])c1ccc(F)cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000302825244 456411486 /nfs/dbraw/zinc/41/14/86/456411486.db2.gz YJMQYKIHVSRJTN-UHFFFAOYSA-N 1 0 330.363 3.205 10 5 EGBERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000276619133 456533054 /nfs/dbraw/zinc/53/30/54/456533054.db2.gz QPSUJOKYOWLZSF-ZDUSSCGKSA-N 1 0 339.823 3.113 10 5 EGBERO CC(C)(C)[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000340566566 456534111 /nfs/dbraw/zinc/53/41/11/456534111.db2.gz DBCHSNUUZVOONM-DOMZBBRYSA-N 1 0 328.359 3.102 10 5 EGBERO CCOc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000276862868 456601984 /nfs/dbraw/zinc/60/19/84/456601984.db2.gz GRDLLDVOGWRQSV-UHFFFAOYSA-N 1 0 330.388 3.096 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1F ZINC000283207063 456737537 /nfs/dbraw/zinc/73/75/37/456737537.db2.gz RTFRANZDYCELKY-CYBMUJFWSA-N 1 0 345.378 3.040 10 5 EGBERO CCc1ccc([C@H]([NH2+]CCc2cn[nH]c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353638953 456820739 /nfs/dbraw/zinc/82/07/39/456820739.db2.gz COFQWQYDCAFBBB-GOSISDBHSA-N 1 0 340.383 3.395 10 5 EGBERO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000348835711 456877840 /nfs/dbraw/zinc/87/78/40/456877840.db2.gz AXTPBYUROGXNJI-ONGXEEELSA-N 1 0 330.331 3.135 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360920858 457434265 /nfs/dbraw/zinc/43/42/65/457434265.db2.gz RRSQUYXQGSFISB-PBHICJAKSA-N 1 0 341.411 3.431 10 5 EGBERO C[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942524 457657424 /nfs/dbraw/zinc/65/74/24/457657424.db2.gz FTVATWJGNWTZJW-KXBFYZLASA-N 1 0 327.428 3.472 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)o2)cc1 ZINC000370731400 457708069 /nfs/dbraw/zinc/70/80/69/457708069.db2.gz WIUZBPDUJBGDBX-ZDUSSCGKSA-N 1 0 338.367 3.225 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000433065774 457748815 /nfs/dbraw/zinc/74/88/15/457748815.db2.gz DWEDZKOFEQUDTC-ZUEPYMLJSA-N 1 0 347.415 3.100 10 5 EGBERO CCC(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000366484907 457824488 /nfs/dbraw/zinc/82/44/88/457824488.db2.gz RIIJZQONXBURDP-UHFFFAOYSA-N 1 0 345.443 3.500 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)[S@](C)=O ZINC000358318101 457930536 /nfs/dbraw/zinc/93/05/36/457930536.db2.gz LWEYBUQPHSSSMQ-SASJJMKUSA-N 1 0 344.502 3.212 10 5 EGBERO CCCC[N@H+](C)CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000427991012 458061922 /nfs/dbraw/zinc/06/19/22/458061922.db2.gz JNNVDXWFHTUTMM-UHFFFAOYSA-N 1 0 345.447 3.419 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)s1 ZINC000428378715 458131200 /nfs/dbraw/zinc/13/12/00/458131200.db2.gz VCXBBKIQGIQNEJ-INIZCTEOSA-N 1 0 330.409 3.280 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](N[C@H]2C[NH2+]CCC2(F)F)c2ccccc2)c1 ZINC000423480172 458439168 /nfs/dbraw/zinc/43/91/68/458439168.db2.gz NCPVLRVIFJHDPW-DLBZAZTESA-N 1 0 347.365 3.271 10 5 EGBERO CN(C(=O)C[NH+]1CCC(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000530361391 458755194 /nfs/dbraw/zinc/75/51/94/458755194.db2.gz GLGWBSVKAHYOJG-UHFFFAOYSA-N 1 0 333.432 3.316 10 5 EGBERO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441658720 458969218 /nfs/dbraw/zinc/96/92/18/458969218.db2.gz WROHEGPONZYAEU-DOTOQJQBSA-N 1 0 336.432 3.235 10 5 EGBERO CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000590052774 459072353 /nfs/dbraw/zinc/07/23/53/459072353.db2.gz LFOFBXNEKGVLIB-YOEHRIQHSA-N 1 0 343.452 3.459 10 5 EGBERO COC[C@H](CC(C)(C)C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594515260 459072721 /nfs/dbraw/zinc/07/27/21/459072721.db2.gz LZKCYJQUYJJYJA-ZDUSSCGKSA-N 1 0 340.420 3.153 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000578108903 459145862 /nfs/dbraw/zinc/14/58/62/459145862.db2.gz HBRDPFGWSRKBQS-UHFFFAOYSA-N 1 0 342.395 3.311 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000590594674 459155984 /nfs/dbraw/zinc/15/59/84/459155984.db2.gz JPZXBHCFHZPYNG-BBRMVZONSA-N 1 0 341.411 3.330 10 5 EGBERO COC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000594956487 459192599 /nfs/dbraw/zinc/19/25/99/459192599.db2.gz IZULRYBKJGQQGU-KRWDZBQOSA-N 1 0 336.432 3.249 10 5 EGBERO COC[C@@H](CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000595061117 459232201 /nfs/dbraw/zinc/23/22/01/459232201.db2.gz PEEDLNINADMXNG-RTBURBONSA-N 1 0 344.411 3.325 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595063353 459232804 /nfs/dbraw/zinc/23/28/04/459232804.db2.gz QMDPJYMSFMFVHX-WLWJZTKJSA-N 1 0 348.443 3.128 10 5 EGBERO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595296468 459270885 /nfs/dbraw/zinc/27/08/85/459270885.db2.gz DLRYJYHKAXDVEA-AWEZNQCLSA-N 1 0 331.372 3.107 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595476777 459317013 /nfs/dbraw/zinc/31/70/13/459317013.db2.gz PESXEOQVUNKZEX-VHRNVKJDSA-N 1 0 344.390 3.378 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000595501364 459326102 /nfs/dbraw/zinc/32/61/02/459326102.db2.gz OMQBRERMJRSXDG-HNNXBMFYSA-N 1 0 327.384 3.378 10 5 EGBERO O=C(CC[NH+]1CCC(c2ccco2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595617583 459370421 /nfs/dbraw/zinc/37/04/21/459370421.db2.gz WSMXLYQNPVYIDY-UHFFFAOYSA-N 1 0 343.383 3.396 10 5 EGBERO O=C(CC[NH+]1CCC(C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595659102 459388199 /nfs/dbraw/zinc/38/81/99/459388199.db2.gz JXYJMSLHYCIOGQ-UHFFFAOYSA-N 1 0 331.416 3.436 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595732762 459418394 /nfs/dbraw/zinc/41/83/94/459418394.db2.gz KFIXVEANDRDNOY-BFYDXBDKSA-N 1 0 332.400 3.149 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755962 459427586 /nfs/dbraw/zinc/42/75/86/459427586.db2.gz RXAPIAWHVBRZGI-CQSZACIVSA-N 1 0 337.395 3.303 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000595770885 459433511 /nfs/dbraw/zinc/43/35/11/459433511.db2.gz OHCRRTXSWHFPHB-XJKSGUPXSA-N 1 0 348.834 3.483 10 5 EGBERO O=C(CC[NH2+][C@H](c1cccnc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000525834863 459502065 /nfs/dbraw/zinc/50/20/65/459502065.db2.gz INXZDHFVLSOWON-SFHVURJKSA-N 1 0 340.383 3.059 10 5 EGBERO CC(C)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000592396640 459590897 /nfs/dbraw/zinc/59/08/97/459590897.db2.gz HWVIOJJUUWXYQC-MJGOQNOKSA-N 1 0 348.443 3.130 10 5 EGBERO CCC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397540 459592012 /nfs/dbraw/zinc/59/20/12/459592012.db2.gz NIJCNKNIVNDHPQ-SJLPKXTDSA-N 1 0 336.432 3.203 10 5 EGBERO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000592398476 459592519 /nfs/dbraw/zinc/59/25/19/459592519.db2.gz ILXMJIMMQKZMQZ-MKVSYHDVSA-N 1 0 326.400 3.196 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000593168627 459794259 /nfs/dbraw/zinc/79/42/59/459794259.db2.gz NXWOZTOVDBPHCG-UHFFFAOYSA-N 1 0 336.436 3.311 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC000593183619 459799848 /nfs/dbraw/zinc/79/98/48/459799848.db2.gz DNCFECCUNDGQAW-WBMJQRKESA-N 1 0 327.384 3.022 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593455081 459894134 /nfs/dbraw/zinc/89/41/34/459894134.db2.gz OLCQQDGLZGMOBQ-OAHLLOKOSA-N 1 0 326.400 3.208 10 5 EGBERO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000609704374 460009271 /nfs/dbraw/zinc/00/92/71/460009271.db2.gz PUUOLLPKVKNGTO-CQSZACIVSA-N 1 0 326.400 3.049 10 5 EGBERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccncc1 ZINC000618571585 460067592 /nfs/dbraw/zinc/06/75/92/460067592.db2.gz PSXVGEVZFGTUED-BMFZPTHFSA-N 1 0 329.404 3.063 10 5 EGBERO Nc1cc[nH+]c2c1CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000598943601 460098006 /nfs/dbraw/zinc/09/80/06/460098006.db2.gz UCLOYVZEZKAYHV-UHFFFAOYSA-N 1 0 338.289 3.154 10 5 EGBERO C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000598971822 460109485 /nfs/dbraw/zinc/10/94/85/460109485.db2.gz GGTUJUWEFGYIOA-CQSZACIVSA-N 1 0 325.840 3.253 10 5 EGBERO CCOC(=O)CC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019613 460128164 /nfs/dbraw/zinc/12/81/64/460128164.db2.gz HWGPHIFWSCVSEL-UHFFFAOYSA-N 1 0 343.383 3.313 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000599056771 460143585 /nfs/dbraw/zinc/14/35/85/460143585.db2.gz NNLGUMUHLKZCQR-UGSOOPFHSA-N 1 0 328.368 3.476 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599085372 460156503 /nfs/dbraw/zinc/15/65/03/460156503.db2.gz ZMEFHZHMLXFRFS-ZUMXRPEOSA-N 1 0 331.416 3.338 10 5 EGBERO CCOC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610997209 460275882 /nfs/dbraw/zinc/27/58/82/460275882.db2.gz PGJFIKVWKPILGW-UHFFFAOYSA-N 1 0 338.379 3.289 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599676072 460306715 /nfs/dbraw/zinc/30/67/15/460306715.db2.gz XQEDNVDKOZVRNY-UGSOOPFHSA-N 1 0 347.415 3.197 10 5 EGBERO COc1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000611258434 460320162 /nfs/dbraw/zinc/32/01/62/460320162.db2.gz PIVLLRWDMBHUKM-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO CC1([NH+]2CCCC2)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000601216457 460753509 /nfs/dbraw/zinc/75/35/09/460753509.db2.gz LJTVGMRFEWDBIX-UHFFFAOYSA-N 1 0 344.459 3.323 10 5 EGBERO CCC1([NH+](C)C)CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000601229310 460758976 /nfs/dbraw/zinc/75/89/76/460758976.db2.gz LZIOBOXLBAVPLH-UHFFFAOYSA-N 1 0 325.384 3.053 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000601745418 460887806 /nfs/dbraw/zinc/88/78/06/460887806.db2.gz UVYIWVUXPYYPJU-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601743955 460887861 /nfs/dbraw/zinc/88/78/61/460887861.db2.gz FXBSZQQBFCBGPP-UHFFFAOYSA-N 1 0 345.443 3.004 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601743949 460887897 /nfs/dbraw/zinc/88/78/97/460887897.db2.gz FITIYKMQQOMUGA-UHFFFAOYSA-N 1 0 349.406 3.215 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601971697 460966812 /nfs/dbraw/zinc/96/68/12/460966812.db2.gz DWFWRQGDJIVOFA-AWEZNQCLSA-N 1 0 333.432 3.028 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000191392689 534054706 /nfs/dbraw/zinc/05/47/06/534054706.db2.gz KLWFZQCEOUXFII-CQSZACIVSA-N 1 0 334.420 3.208 10 5 EGBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022839 546556395 /nfs/dbraw/zinc/55/63/95/546556395.db2.gz BQJYIRCUWDQNTJ-ZDUSSCGKSA-N 1 0 345.374 3.235 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000741750510 576716792 /nfs/dbraw/zinc/71/67/92/576716792.db2.gz WCUNFIDMXGWSST-AORWBKJGSA-N 1 0 349.431 3.169 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000871357363 1296365836 /nfs/dbraw/zinc/36/58/36/1296365836.db2.gz GUDGLCBHEPPPEP-UHFFFAOYSA-N 1 0 345.399 3.334 10 5 EGBERO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029989 1296677614 /nfs/dbraw/zinc/67/76/14/1296677614.db2.gz XFQWDDRAITXPHD-JTQLQIEISA-N 1 0 331.338 3.114 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000872045793 1296696546 /nfs/dbraw/zinc/69/65/46/1296696546.db2.gz RNKCANRKRAWTFC-VOMCLLRMSA-N 1 0 337.445 3.011 10 5 EGBERO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051663 1296702587 /nfs/dbraw/zinc/70/25/87/1296702587.db2.gz JYNAMMILGIIDOX-DCGLDWPTSA-N 1 0 332.375 3.377 10 5 EGBERO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051664 1296703212 /nfs/dbraw/zinc/70/32/12/1296703212.db2.gz JYNAMMILGIIDOX-GDZNZVCISA-N 1 0 332.375 3.377 10 5 EGBERO Cc1cc(N2CCC([NH2+][C@@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000872063899 1296710785 /nfs/dbraw/zinc/71/07/85/1296710785.db2.gz AAUPCOBNLQMIPI-LBPRGKRZSA-N 1 0 347.394 3.085 10 5 EGBERO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065248 1296711599 /nfs/dbraw/zinc/71/15/99/1296711599.db2.gz WIKTXQGYCCVJQO-UKRRQHHQSA-N 1 0 332.375 3.297 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316556 1296912090 /nfs/dbraw/zinc/91/20/90/1296912090.db2.gz PDMIDAQOBFXKBH-KGLIPLIRSA-N 1 0 341.205 3.159 10 5 EGBERO Cc1noc2ncc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc12 ZINC000894739845 1309046175 /nfs/dbraw/zinc/04/61/75/1309046175.db2.gz UFQZSHJNFNMDSX-UHFFFAOYSA-N 1 0 326.356 3.114 10 5 EGBERO [NH3+][C@H]1CC[C@H](N(Cc2csc([N+](=O)[O-])c2)c2ccccn2)CC1 ZINC000895111121 1309194701 /nfs/dbraw/zinc/19/47/01/1309194701.db2.gz MPUKGJILVOCBDW-HDJSIYSDSA-N 1 0 332.429 3.328 10 5 EGBERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556231 1329017244 /nfs/dbraw/zinc/01/72/44/1329017244.db2.gz IMMFOSBXQNLDNC-UGSOOPFHSA-N 1 0 341.411 3.160 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922453997 1322531269 /nfs/dbraw/zinc/53/12/69/1322531269.db2.gz AAXRDFYZBRZPNJ-RISCZKNCSA-N 1 0 332.322 3.411 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922806754 1322622546 /nfs/dbraw/zinc/62/25/46/1322622546.db2.gz LJDDJPQVKPNLNY-RXBGNRNISA-N 1 0 346.427 3.316 10 5 EGBERO CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931660279 1329159995 /nfs/dbraw/zinc/15/99/95/1329159995.db2.gz DTUIDHVWGPOYIK-GFCCVEGCSA-N 1 0 341.839 3.027 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000925235756 1325090155 /nfs/dbraw/zinc/09/01/55/1325090155.db2.gz IHQMVGOQPZLXKF-VBQJREDUSA-N 1 0 348.447 3.028 10 5 EGBERO C[NH2+]CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC000926088554 1325420259 /nfs/dbraw/zinc/42/02/59/1325420259.db2.gz DUOGESOVYRVZON-UHFFFAOYSA-N 1 0 348.325 3.075 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)c2c1 ZINC000926440727 1325556217 /nfs/dbraw/zinc/55/62/17/1325556217.db2.gz RDWYIXJDMPMARL-KXBFYZLASA-N 1 0 343.427 3.413 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927066483 1327838339 /nfs/dbraw/zinc/83/83/39/1327838339.db2.gz LPIOTXROBZLPJH-WPKBUWHJSA-N 1 0 334.416 3.459 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000928013501 1328173182 /nfs/dbraw/zinc/17/31/82/1328173182.db2.gz ABHNPOYBONSREP-UHFFFAOYSA-N 1 0 337.445 3.183 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000863486545 1329557942 /nfs/dbraw/zinc/55/79/42/1329557942.db2.gz JUPMNYMNAMWMST-UHFFFAOYSA-N 1 0 333.775 3.342 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000863584379 1329564611 /nfs/dbraw/zinc/56/46/11/1329564611.db2.gz ACQNFQFCCZFYRS-LBPRGKRZSA-N 1 0 346.330 3.498 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000866055497 1330060490 /nfs/dbraw/zinc/06/04/90/1330060490.db2.gz XSAPXSUZVYYUOB-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866532699 1330123028 /nfs/dbraw/zinc/12/30/28/1330123028.db2.gz XYHFRQFDBGEWJC-DZGCQCFKSA-N 1 0 336.407 3.461 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cccc1[N+](=O)[O-] ZINC000866534238 1330123278 /nfs/dbraw/zinc/12/32/78/1330123278.db2.gz PZHANPAOTWHZSJ-GJZGRUSLSA-N 1 0 334.416 3.140 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000866540936 1330124026 /nfs/dbraw/zinc/12/40/26/1330124026.db2.gz UJWQFUSRYOKCGQ-LBPRGKRZSA-N 1 0 341.367 3.085 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866540262 1330124142 /nfs/dbraw/zinc/12/41/42/1330124142.db2.gz XKPUNFAKYYIGHX-IFIJOSMWSA-N 1 0 334.416 3.317 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866540232 1330124219 /nfs/dbraw/zinc/12/42/19/1330124219.db2.gz WTPLMSORYOVWMR-NUTKFTJISA-N 1 0 336.407 3.317 10 5 EGBERO C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866562593 1330127037 /nfs/dbraw/zinc/12/70/37/1330127037.db2.gz FSSPJUSDBWMQHR-SGTLLEGYSA-N 1 0 326.400 3.014 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1c2ccccc2CN1C ZINC000866563722 1330127368 /nfs/dbraw/zinc/12/73/68/1330127368.db2.gz OIWSQBKKFFZUQB-DJJJIMSYSA-N 1 0 343.402 3.441 10 5 EGBERO CCCC[N@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001185312833 1387679001 /nfs/dbraw/zinc/67/90/01/1387679001.db2.gz IJNGPUKIDSODTA-UHFFFAOYSA-N 1 0 343.811 3.179 10 5 EGBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001185565332 1387750876 /nfs/dbraw/zinc/75/08/76/1387750876.db2.gz NWTMBTOVHKRIBS-ZDUSSCGKSA-N 1 0 334.376 3.179 10 5 EGBERO CCC(CC)(CCO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001193743550 1368105337 /nfs/dbraw/zinc/10/53/37/1368105337.db2.gz PZNSYSWOBRUYLV-UHFFFAOYSA-N 1 0 345.237 3.388 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001196771836 1368680645 /nfs/dbraw/zinc/68/06/45/1368680645.db2.gz HDXLIIRIVPXXCL-HKUYNNGSSA-N 1 0 342.395 3.301 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CCCC2)[C@@H](C)C1 ZINC001197798087 1368900614 /nfs/dbraw/zinc/90/06/14/1368900614.db2.gz LKJSUCVJIWPFOI-AWEZNQCLSA-N 1 0 333.432 3.052 10 5 EGBERO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC001186905450 1388027237 /nfs/dbraw/zinc/02/72/37/1388027237.db2.gz GEIWPPAECVAVSC-HRCADAONSA-N 1 0 340.427 3.478 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001287941652 1381431836 /nfs/dbraw/zinc/43/18/36/1381431836.db2.gz AANQKGCOMKNLTQ-KRWDZBQOSA-N 1 0 345.443 3.430 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001162258359 1382708670 /nfs/dbraw/zinc/70/86/70/1382708670.db2.gz JYTOTQNBTDXZQM-OCCSQVGLSA-N 1 0 349.431 3.222 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001295872168 1382850520 /nfs/dbraw/zinc/85/05/20/1382850520.db2.gz WNQCETUAKZUAJO-CRAIPNDOSA-N 1 0 345.443 3.206 10 5 EGBERO C[C@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC001162799511 1382876077 /nfs/dbraw/zinc/87/60/77/1382876077.db2.gz AUJHOFVVKXIMFD-JQWIXIFHSA-N 1 0 346.818 3.255 10 5 EGBERO CC(C)Cc1ccc([C@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC001163436772 1383051550 /nfs/dbraw/zinc/05/15/50/1383051550.db2.gz GEDXDMDDSTVZTP-INIZCTEOSA-N 1 0 345.447 3.242 10 5 EGBERO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1(C)C ZINC001163629687 1383091935 /nfs/dbraw/zinc/09/19/35/1383091935.db2.gz NZQJXOHGQKNDLY-UHFFFAOYSA-N 1 0 344.390 3.326 10 5 EGBERO CCOc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164176929 1383163162 /nfs/dbraw/zinc/16/31/62/1383163162.db2.gz ICDUHKOOQXHMFB-CQSZACIVSA-N 1 0 342.399 3.104 10 5 EGBERO CC[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC001301121893 1383697335 /nfs/dbraw/zinc/69/73/35/1383697335.db2.gz MAQBNPXRQYYVCE-MRXNPFEDSA-N 1 0 333.432 3.385 10 5 EGBERO CCC1(CC)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001307697093 1384015697 /nfs/dbraw/zinc/01/56/97/1384015697.db2.gz WNMJQJVGONVGAZ-UHFFFAOYSA-N 1 0 345.443 3.386 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001307856374 1384044205 /nfs/dbraw/zinc/04/42/05/1384044205.db2.gz KAQVWFAJQWHJAP-OAHLLOKOSA-N 1 0 334.416 3.494 10 5 EGBERO COC(=O)[C@H]1CCCC[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665706 1384170554 /nfs/dbraw/zinc/17/05/54/1384170554.db2.gz FIJABZKZZMDRJV-RDJZCZTQSA-N 1 0 334.416 3.049 10 5 EGBERO CCc1ccc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC001335770775 1388929420 /nfs/dbraw/zinc/92/94/20/1388929420.db2.gz IUOFFNFNYDSYRA-UHFFFAOYSA-N 1 0 345.443 3.105 10 5 EGBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC=CC1 ZINC001316914704 1384685171 /nfs/dbraw/zinc/68/51/71/1384685171.db2.gz QZIHQVUFFBTVDE-UHFFFAOYSA-N 1 0 343.427 3.032 10 5 EGBERO C/C=C\C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001175054184 1385186729 /nfs/dbraw/zinc/18/67/29/1385186729.db2.gz RKPLNUMDQXSQIZ-GWQWAINWSA-N 1 0 343.427 3.162 10 5 EGBERO O=C(C1CCC1)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001318860724 1385864080 /nfs/dbraw/zinc/86/40/80/1385864080.db2.gz WXAKWLXZWKTMQQ-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C/C=C(\C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318947069 1385891753 /nfs/dbraw/zinc/89/17/53/1385891753.db2.gz DPYHGRXVDWAEAA-RZUUCNQMSA-N 1 0 331.416 3.078 10 5 EGBERO O=C(CC1CC1)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001319008332 1385921769 /nfs/dbraw/zinc/92/17/69/1385921769.db2.gz BBJRVCPIMYDYKT-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCc1occc1C(=O)N(CC)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001320724335 1386702415 /nfs/dbraw/zinc/70/24/15/1386702415.db2.gz FKQJMEFUWFFEFT-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001322466176 1387191150 /nfs/dbraw/zinc/19/11/50/1387191150.db2.gz ONWVASLJCJQZMO-CXAGYDPISA-N 1 0 346.456 3.277 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001347656171 1391107022 /nfs/dbraw/zinc/10/70/22/1391107022.db2.gz AYFUXFUFENLNLG-CHWSQXEVSA-N 1 0 339.411 3.074 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@@H]2C1 ZINC001350915938 1391557827 /nfs/dbraw/zinc/55/78/27/1391557827.db2.gz OBBMOIPXVXOBDZ-BEVDRBHNSA-N 1 0 345.446 3.458 10 5 EGBERO CC(C)=CC(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001481345226 1393169615 /nfs/dbraw/zinc/16/96/15/1393169615.db2.gz LGZAADLHOYVYSM-UHFFFAOYSA-N 1 0 333.432 3.278 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)CC=CC1 ZINC001484650117 1395461863 /nfs/dbraw/zinc/46/18/63/1395461863.db2.gz VMQYIPIJIAOAKW-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO CC1(CCC(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)CC1 ZINC001484658002 1395466822 /nfs/dbraw/zinc/46/68/22/1395466822.db2.gz XILLCEJRYOAISJ-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691738276 1405460564 /nfs/dbraw/zinc/46/05/64/1405460564.db2.gz ZFZURSRGIDLFNR-IYBDPMFKSA-N 1 0 347.459 3.406 10 5 EGBERO CCCC(=O)N(C)CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001700439530 1414010781 /nfs/dbraw/zinc/01/07/81/1414010781.db2.gz YNZRJUNPOLEDDP-UHFFFAOYSA-N 1 0 327.450 3.031 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C(C)(C)F)Cc1ccccc1[N+](=O)[O-] ZINC001713684086 1418436884 /nfs/dbraw/zinc/43/68/84/1418436884.db2.gz JFFBMNQQINQKDS-UHFFFAOYSA-N 1 0 339.411 3.060 10 5 EGBERO O=C(CCC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001715180536 1419914748 /nfs/dbraw/zinc/91/47/48/1419914748.db2.gz DJDDJMKNGZCORC-QAQDUYKDSA-N 1 0 345.443 3.302 10 5 EGBERO Cc1ccoc1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001717203779 1421172872 /nfs/dbraw/zinc/17/28/72/1421172872.db2.gz DYVMGEIJPLUBDL-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO COc1ccc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000068838146 215340385 /nfs/dbraw/zinc/34/03/85/215340385.db2.gz MRDXNLFSCNIQHC-KRWDZBQOSA-N 1 0 333.363 3.457 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133119932 223389717 /nfs/dbraw/zinc/38/97/17/223389717.db2.gz CTSXTDLFQQGITR-UHFFFAOYSA-N 1 0 333.432 3.097 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247167694 243386007 /nfs/dbraw/zinc/38/60/07/243386007.db2.gz VBNWDIWLRUOPQD-OFQRWUPVSA-N 1 0 348.447 3.088 10 5 EGBERO COc1ccc(C(=O)C[NH2+][C@@H](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077311793 216869793 /nfs/dbraw/zinc/86/97/93/216869793.db2.gz QWHMIFZWUFDLEV-AWEZNQCLSA-N 1 0 342.395 3.397 10 5 in-vitro EGBERO COc1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000377246729 169001944 /nfs/dbraw/zinc/00/19/44/169001944.db2.gz WDIZLAOITYVZCA-OAHLLOKOSA-N 1 0 344.415 3.028 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1N(C)C ZINC000344823117 533409239 /nfs/dbraw/zinc/40/92/39/533409239.db2.gz LBUXALQCMKPCRT-GXDHUFHOSA-N 1 0 326.400 3.249 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000338044894 141080520 /nfs/dbraw/zinc/08/05/20/141080520.db2.gz PWUURTVELDUMLX-INMHGKMJSA-N 1 0 345.443 3.381 10 5 EGBERO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000173759559 144048367 /nfs/dbraw/zinc/04/83/67/144048367.db2.gz RFDMNAMPTVUTBB-AWEZNQCLSA-N 1 0 332.356 3.412 10 5 EGBERO CO[C@@H](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000345493912 144246489 /nfs/dbraw/zinc/24/64/89/144246489.db2.gz WOBOWXJXVHFCJS-HIFRSBDPSA-N 1 0 346.349 3.473 10 5 EGBERO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341279669 155227706 /nfs/dbraw/zinc/22/77/06/155227706.db2.gz YFIFHVZFZXWFCU-HNNXBMFYSA-N 1 0 326.400 3.187 10 5 EGBERO COc1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000305787001 154121218 /nfs/dbraw/zinc/12/12/18/154121218.db2.gz AATFXIQJILMFCT-KRWDZBQOSA-N 1 0 342.395 3.085 10 5 EGBERO CC[N@@H+]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113326585 162208885 /nfs/dbraw/zinc/20/88/85/162208885.db2.gz VNBQZLFOAUUZMY-AWEZNQCLSA-N 1 0 346.456 3.292 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000352094366 165232236 /nfs/dbraw/zinc/23/22/36/165232236.db2.gz ZNEWZOCXXRFYSH-QZTJIDSGSA-N 1 0 329.375 3.269 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000359096910 167065253 /nfs/dbraw/zinc/06/52/53/167065253.db2.gz LEGCGGVHCPIJLU-WBVHZDCISA-N 1 0 326.400 3.464 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000359095917 167065453 /nfs/dbraw/zinc/06/54/53/167065453.db2.gz KWLUOVYIHHEVSI-QGZVFWFLSA-N 1 0 340.427 3.317 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359557213 167191772 /nfs/dbraw/zinc/19/17/72/167191772.db2.gz MYMHYWAPLJIPQV-ACJLOTCBSA-N 1 0 347.415 3.054 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2NC2CC([NH+]3CCCCC3)C2)s1 ZINC000367802139 168271553 /nfs/dbraw/zinc/27/15/53/168271553.db2.gz DDVIURPGZMXMDK-UHFFFAOYSA-N 1 0 333.417 3.028 10 5 EGBERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000160223884 225365868 /nfs/dbraw/zinc/36/58/68/225365868.db2.gz RKEOFOFVWDBCOZ-KSSFIOAISA-N 1 0 341.411 3.020 10 5 EGBERO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000235303154 266206406 /nfs/dbraw/zinc/20/64/06/266206406.db2.gz VVYWRBUDVCIAHZ-ONGXEEELSA-N 1 0 328.210 3.218 10 5 EGBERO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000276394316 267535486 /nfs/dbraw/zinc/53/54/86/267535486.db2.gz FZHXPRQNBLZUDU-UHFFFAOYSA-N 1 0 327.450 3.159 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000278212847 267964505 /nfs/dbraw/zinc/96/45/05/267964505.db2.gz WIYFPIYZGPOLDX-GFCCVEGCSA-N 1 0 339.823 3.161 10 5 EGBERO CS[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275040171 275250950 /nfs/dbraw/zinc/25/09/50/275250950.db2.gz GTNJTVUPFDAVRU-RRQGHBQHSA-N 1 0 335.473 3.167 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000287998607 276174978 /nfs/dbraw/zinc/17/49/78/276174978.db2.gz AQJGUCHBPRJGQC-UHFFFAOYSA-N 1 0 343.431 3.328 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000245519658 281021477 /nfs/dbraw/zinc/02/14/77/281021477.db2.gz ITZRNNQMBVHQPB-HOTGVXAUSA-N 1 0 347.459 3.149 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@@H](CO)C3)cs2)c1 ZINC000414574142 309090425 /nfs/dbraw/zinc/09/04/25/309090425.db2.gz MIMZJJKLRUOIRM-OCCSQVGLSA-N 1 0 347.440 3.359 10 5 EGBERO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000331139782 308802344 /nfs/dbraw/zinc/80/23/44/308802344.db2.gz JTCXSAGUXJUBFQ-CQSZACIVSA-N 1 0 333.432 3.284 10 5 EGBERO C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415018353 309114545 /nfs/dbraw/zinc/11/45/45/309114545.db2.gz QUXSRMQINNQIRX-NWDGAFQWSA-N 1 0 333.363 3.352 10 5 EGBERO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)C[NH3+] ZINC000415057322 309117262 /nfs/dbraw/zinc/11/72/62/309117262.db2.gz SALPBKNMLDSZTH-SJKOYZFVSA-N 1 0 346.456 3.135 10 5 EGBERO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415702780 309141357 /nfs/dbraw/zinc/14/13/57/309141357.db2.gz PUKSXZKFHHDMLW-FZMZJTMJSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415703648 309141476 /nfs/dbraw/zinc/14/14/76/309141476.db2.gz RBAIVOHRGLODDU-RYUDHWBXSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415703646 309141503 /nfs/dbraw/zinc/14/15/03/309141503.db2.gz RBAIVOHRGLODDU-NWDGAFQWSA-N 1 0 334.420 3.093 10 5 EGBERO COC1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000418105071 309235757 /nfs/dbraw/zinc/23/57/57/309235757.db2.gz YYNMHSIAVFMLRD-UHFFFAOYSA-N 1 0 332.322 3.447 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](O)CC34CCC4)co2)cc1 ZINC000420988916 309306256 /nfs/dbraw/zinc/30/62/56/309306256.db2.gz BETPSVPVRXXFNH-MRXNPFEDSA-N 1 0 343.383 3.129 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000423182806 309389599 /nfs/dbraw/zinc/38/95/99/309389599.db2.gz FNMDIRIGNAQKQO-OAHLLOKOSA-N 1 0 328.416 3.129 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433082992 309678244 /nfs/dbraw/zinc/67/82/44/309678244.db2.gz NEYAQMIDKZOWIE-OCLKLICZSA-N 1 0 347.415 3.099 10 5 EGBERO COc1ccc(C[NH2+][C@@H](CC(C)C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000449382440 310057863 /nfs/dbraw/zinc/05/78/63/310057863.db2.gz COCFFTIPDPUVLT-INIZCTEOSA-N 1 0 335.448 3.204 10 5 EGBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449421998 310060697 /nfs/dbraw/zinc/06/06/97/310060697.db2.gz MHSGEYAKJBEUSZ-RHSMWYFYSA-N 1 0 330.384 3.448 10 5 EGBERO COc1cc(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000449447866 310062704 /nfs/dbraw/zinc/06/27/04/310062704.db2.gz CHYMJBLBDNYPKF-MOMAJJCNSA-N 1 0 344.411 3.256 10 5 EGBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449514425 310068524 /nfs/dbraw/zinc/06/85/24/310068524.db2.gz WFXWFUNEKGXRIX-IMJJTQAJSA-N 1 0 334.416 3.237 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451351285 310173686 /nfs/dbraw/zinc/17/36/86/310173686.db2.gz ITTDDCIWPIGHKE-BBWFWOEESA-N 1 0 334.416 3.119 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376938 310175048 /nfs/dbraw/zinc/17/50/48/310175048.db2.gz WNHLRYMMMLMJAE-JRWXATFMSA-N 1 0 341.411 3.066 10 5 EGBERO CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC ZINC000453410983 310275766 /nfs/dbraw/zinc/27/57/66/310275766.db2.gz RUCPSTUEIPMPPY-WCQYABFASA-N 1 0 347.440 3.499 10 5 EGBERO CC[C@@H](NC(=O)N[C@H](C)c1nccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476220 310362575 /nfs/dbraw/zinc/36/25/75/310362575.db2.gz SPGHKFVNIMADSZ-IUODEOHRSA-N 1 0 345.403 3.323 10 5 EGBERO COc1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000492852990 311299151 /nfs/dbraw/zinc/29/91/51/311299151.db2.gz PTHSTGZVKIEMGC-QFBILLFUSA-N 1 0 342.395 3.471 10 5 EGBERO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514814639 312246872 /nfs/dbraw/zinc/24/68/72/312246872.db2.gz SXEXGTQDHRZZFI-MRXNPFEDSA-N 1 0 339.399 3.019 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000516258938 312318120 /nfs/dbraw/zinc/31/81/20/312318120.db2.gz KGIROAMAGCXMTP-UHFFFAOYSA-N 1 0 346.431 3.209 10 5 EGBERO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235835419 456154010 /nfs/dbraw/zinc/15/40/10/456154010.db2.gz LUSDCRCAMQFDOX-NSHDSACASA-N 1 0 342.237 3.231 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194943047 323872349 /nfs/dbraw/zinc/87/23/49/323872349.db2.gz RNEAQLYDMWMVQS-AWEZNQCLSA-N 1 0 348.447 3.077 10 5 EGBERO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382463830 324250405 /nfs/dbraw/zinc/25/04/05/324250405.db2.gz YSRNMUPQEOIUGF-ZJUUUORDSA-N 1 0 328.210 3.348 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000578771018 325016620 /nfs/dbraw/zinc/01/66/20/325016620.db2.gz CGJBTHGWVIAKRN-ZGUWOUCSSA-N 1 0 334.441 3.206 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000579805335 325160984 /nfs/dbraw/zinc/16/09/84/325160984.db2.gz KNNQSNKGOYLUSV-KRWDZBQOSA-N 1 0 334.416 3.261 10 5 EGBERO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCCO[C@@H]21 ZINC000579998139 325187331 /nfs/dbraw/zinc/18/73/31/325187331.db2.gz OAPJKFRGMXBPEK-QGTPRVQTSA-N 1 0 343.427 3.412 10 5 EGBERO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCCO[C@@H]21 ZINC000579998138 325187796 /nfs/dbraw/zinc/18/77/96/325187796.db2.gz OAPJKFRGMXBPEK-OLMNPRSZSA-N 1 0 343.427 3.412 10 5 EGBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264574648 455240019 /nfs/dbraw/zinc/24/00/19/455240019.db2.gz IJGJFPIDCZADJD-INIZCTEOSA-N 1 0 332.404 3.077 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)o1 ZINC000600678593 460566705 /nfs/dbraw/zinc/56/67/05/460566705.db2.gz LVBBEGSERCNDTP-QGZVFWFLSA-N 1 0 327.384 3.229 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000600707450 460574449 /nfs/dbraw/zinc/57/44/49/460574449.db2.gz HPZVFFYXCHDDAH-CJNGLKHVSA-N 1 0 335.473 3.340 10 5 EGBERO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184167844 455358039 /nfs/dbraw/zinc/35/80/39/455358039.db2.gz MRATYBXWUOMPCO-GFCCVEGCSA-N 1 0 348.428 3.348 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[NH2+]C34CCC4)cs2)c1 ZINC000600768416 460596284 /nfs/dbraw/zinc/59/62/84/460596284.db2.gz GKVYZHXTKFJUDN-OAHLLOKOSA-N 1 0 344.440 3.093 10 5 EGBERO COC(=O)c1ccc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC000600783775 460603536 /nfs/dbraw/zinc/60/35/36/460603536.db2.gz HKXTWHWETHMLFQ-AWEZNQCLSA-N 1 0 340.379 3.200 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000184670425 455425031 /nfs/dbraw/zinc/42/50/31/455425031.db2.gz SEDQXFZONZIYQD-LBPRGKRZSA-N 1 0 335.404 3.100 10 5 EGBERO CNc1ccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000071792503 454218724 /nfs/dbraw/zinc/21/87/24/454218724.db2.gz XTWHTAUHJDMPBV-LBPRGKRZSA-N 1 0 342.399 3.446 10 5 EGBERO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1=O ZINC000119895155 454233314 /nfs/dbraw/zinc/23/33/14/454233314.db2.gz ZGLBQHSPLAILDC-ZDUSSCGKSA-N 1 0 345.424 3.034 10 5 EGBERO O=[N+]([O-])c1cnccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000060375344 454283148 /nfs/dbraw/zinc/28/31/48/454283148.db2.gz GRRQPDDMAQTHBF-UHFFFAOYSA-N 1 0 326.400 3.314 10 5 EGBERO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551283 454320206 /nfs/dbraw/zinc/32/02/06/454320206.db2.gz RHEBNGXLOYIRBV-CZUORRHYSA-N 1 0 345.399 3.131 10 5 EGBERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120651009 454330482 /nfs/dbraw/zinc/33/04/82/454330482.db2.gz YFGOVLIEGVHXDN-HNNXBMFYSA-N 1 0 343.383 3.085 10 5 EGBERO Cc1cnn([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106219851 454685420 /nfs/dbraw/zinc/68/54/20/454685420.db2.gz NJTOGCCMWVAMAL-QGZVFWFLSA-N 1 0 344.415 3.206 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000141513364 454829592 /nfs/dbraw/zinc/82/95/92/454829592.db2.gz KXGTVBMDGJSQQI-CQSZACIVSA-N 1 0 349.431 3.443 10 5 EGBERO CCC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378716 454842676 /nfs/dbraw/zinc/84/26/76/454842676.db2.gz MXEFAXYUCSALIT-QZTJIDSGSA-N 1 0 335.448 3.136 10 5 EGBERO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000154952124 454946784 /nfs/dbraw/zinc/94/67/84/454946784.db2.gz BWENQRIHQCRVSJ-AWEZNQCLSA-N 1 0 333.432 3.194 10 5 EGBERO C[NH+](C)C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128582798 455069810 /nfs/dbraw/zinc/06/98/10/455069810.db2.gz NKWFYVJJYFSLQF-MRXNPFEDSA-N 1 0 347.802 3.281 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000129025954 455095370 /nfs/dbraw/zinc/09/53/70/455095370.db2.gz IPFGKPSIFPFOAE-WMLDXEAASA-N 1 0 339.395 3.359 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172055162 455114491 /nfs/dbraw/zinc/11/44/91/455114491.db2.gz GNHUWKSQDQGBTA-SMDDNHRTSA-N 1 0 345.424 3.118 10 5 EGBERO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180155275 455141142 /nfs/dbraw/zinc/14/11/42/455141142.db2.gz UXOSDOSZEOQXDE-FUHWJXTLSA-N 1 0 339.395 3.078 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000181536159 455350904 /nfs/dbraw/zinc/35/09/04/455350904.db2.gz KBJQMTZRPCATQJ-DOTOQJQBSA-N 1 0 333.432 3.427 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181536207 455351280 /nfs/dbraw/zinc/35/12/80/455351280.db2.gz UKUNUTRRUVEUJL-QGZVFWFLSA-N 1 0 333.432 3.332 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000175895875 455512574 /nfs/dbraw/zinc/51/25/74/455512574.db2.gz GWDNUYXZSFHKHA-RISCZKNCSA-N 1 0 339.823 3.051 10 5 EGBERO CC[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176128201 455544401 /nfs/dbraw/zinc/54/44/01/455544401.db2.gz HJSQYHRYOITFML-QGZVFWFLSA-N 1 0 348.447 3.077 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000192869694 455709687 /nfs/dbraw/zinc/70/96/87/455709687.db2.gz KPMXCKIRFSFKKM-NSHDSACASA-N 1 0 349.412 3.344 10 5 EGBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284833498 455750434 /nfs/dbraw/zinc/75/04/34/455750434.db2.gz QNRGBFGWAHFOGP-CYBMUJFWSA-N 1 0 339.823 3.129 10 5 EGBERO Cn1nccc1C1=CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000285630008 455884558 /nfs/dbraw/zinc/88/45/58/455884558.db2.gz NVUPUBLYFKLRGI-UHFFFAOYSA-N 1 0 332.791 3.271 10 5 EGBERO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000235477314 456152669 /nfs/dbraw/zinc/15/26/69/456152669.db2.gz VUSWXDUIHKJFFT-JTQLQIEISA-N 1 0 342.237 3.229 10 5 EGBERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263776762 456220395 /nfs/dbraw/zinc/22/03/95/456220395.db2.gz DVCKZDLVCASVJX-LBPRGKRZSA-N 1 0 343.412 3.093 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290143310 456251496 /nfs/dbraw/zinc/25/14/96/456251496.db2.gz OFSATSCJUBDSPO-GOSISDBHSA-N 1 0 331.391 3.435 10 5 EGBERO COc1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)ccc1[N+](=O)[O-] ZINC000352768952 456290597 /nfs/dbraw/zinc/29/05/97/456290597.db2.gz KYPALKLCQPZOPG-UHFFFAOYSA-N 1 0 342.351 3.111 10 5 EGBERO COc1cc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000352776270 456296922 /nfs/dbraw/zinc/29/69/22/456296922.db2.gz BFNMQZDONHVMQH-HNNXBMFYSA-N 1 0 344.411 3.377 10 5 EGBERO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000326741597 456699727 /nfs/dbraw/zinc/69/97/27/456699727.db2.gz VANWISBXCQXEFP-INMHGKMJSA-N 1 0 334.416 3.119 10 5 EGBERO CC[NH+](CC)CC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000341723612 456915897 /nfs/dbraw/zinc/91/58/97/456915897.db2.gz SNPSJGIUNIHBPT-UHFFFAOYSA-N 1 0 349.460 3.158 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000330407890 457040285 /nfs/dbraw/zinc/04/02/85/457040285.db2.gz ZYVIIIMMIBNTKU-UHFFFAOYSA-N 1 0 333.432 3.240 10 5 EGBERO CC(C)(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OCCO ZINC000352477406 457398573 /nfs/dbraw/zinc/39/85/73/457398573.db2.gz LDCAMRADOUWSQR-GOSISDBHSA-N 1 0 344.411 3.061 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360920861 457433401 /nfs/dbraw/zinc/43/34/01/457433401.db2.gz RRSQUYXQGSFISB-WMLDXEAASA-N 1 0 341.411 3.431 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360921879 457433808 /nfs/dbraw/zinc/43/38/08/457433808.db2.gz XYOHQFDUJPCTNT-DYVFJYSZSA-N 1 0 327.384 3.123 10 5 EGBERO COc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000352541348 457451061 /nfs/dbraw/zinc/45/10/61/457451061.db2.gz WWLZRHSHIYUDLS-UHFFFAOYSA-N 1 0 333.432 3.054 10 5 EGBERO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722885 457478978 /nfs/dbraw/zinc/47/89/78/457478978.db2.gz DQWIVUFIZQYWDJ-HUUCEWRRSA-N 1 0 349.431 3.060 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000401205705 457525830 /nfs/dbraw/zinc/52/58/30/457525830.db2.gz KSIRQJCUOBXBOZ-UHFFFAOYSA-N 1 0 330.363 3.205 10 5 EGBERO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000443334141 457749706 /nfs/dbraw/zinc/74/97/06/457749706.db2.gz PXRIAFBNIMGMFD-UHFFFAOYSA-N 1 0 334.416 3.397 10 5 EGBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000426373706 457814410 /nfs/dbraw/zinc/81/44/10/457814410.db2.gz UFQAJTZPLYEANF-UKTHLTGXSA-N 1 0 325.368 3.157 10 5 EGBERO CC[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358169202 457830799 /nfs/dbraw/zinc/83/07/99/457830799.db2.gz CUMTZVFYWRAOBF-GAJHUEQPSA-N 1 0 332.425 3.443 10 5 EGBERO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000426527360 457849440 /nfs/dbraw/zinc/84/94/40/457849440.db2.gz XZGSUXKDGQEEKU-CQSZACIVSA-N 1 0 346.383 3.092 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000411292203 457851813 /nfs/dbraw/zinc/85/18/13/457851813.db2.gz DPMJFEJWUUOONY-OLZOCXBDSA-N 1 0 335.404 3.052 10 5 EGBERO CCC[N@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366335 457866163 /nfs/dbraw/zinc/86/61/63/457866163.db2.gz JHVRAPQMOYNLIM-LSDHHAIUSA-N 1 0 349.431 3.203 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000358318100 457930646 /nfs/dbraw/zinc/93/06/46/457930646.db2.gz LWEYBUQPHSSSMQ-GIYNXVAASA-N 1 0 344.502 3.212 10 5 EGBERO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458122216 457938435 /nfs/dbraw/zinc/93/84/35/457938435.db2.gz HHPASVMGJFNGGZ-AWEZNQCLSA-N 1 0 348.447 3.220 10 5 EGBERO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000434958545 458070124 /nfs/dbraw/zinc/07/01/24/458070124.db2.gz NQHWMCSWSHKEQW-OAHLLOKOSA-N 1 0 346.818 3.354 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453201 458145685 /nfs/dbraw/zinc/14/56/85/458145685.db2.gz ARKOQBOKNGMMCK-YVEFUNNKSA-N 1 0 346.383 3.066 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369671904 458312117 /nfs/dbraw/zinc/31/21/17/458312117.db2.gz WRLLINNPNVVPDO-GFCCVEGCSA-N 1 0 345.359 3.098 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431859792 458635019 /nfs/dbraw/zinc/63/50/19/458635019.db2.gz SIEVEWLWUPEIPU-INIZCTEOSA-N 1 0 345.443 3.350 10 5 EGBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548126341 458841923 /nfs/dbraw/zinc/84/19/23/458841923.db2.gz AKADDBGENXSORQ-CYBMUJFWSA-N 1 0 339.823 3.195 10 5 EGBERO CCOC(=O)c1cc(NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000467745887 458985003 /nfs/dbraw/zinc/98/50/03/458985003.db2.gz GVYJZUHWWUQTTQ-ZDUSSCGKSA-N 1 0 335.404 3.058 10 5 EGBERO CN1C[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000590052772 459071526 /nfs/dbraw/zinc/07/15/26/459071526.db2.gz LFOFBXNEKGVLIB-RHSMWYFYSA-N 1 0 343.452 3.459 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602836 459159537 /nfs/dbraw/zinc/15/95/37/459159537.db2.gz YTNOSFPLSPQMIP-CQSZACIVSA-N 1 0 327.384 3.378 10 5 EGBERO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594959282 459193651 /nfs/dbraw/zinc/19/36/51/459193651.db2.gz BECHHHABMWPHCR-CYBMUJFWSA-N 1 0 343.374 3.159 10 5 EGBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000594967953 459200038 /nfs/dbraw/zinc/20/00/38/459200038.db2.gz BGTBALAQQXCREH-SFHVURJKSA-N 1 0 330.384 3.389 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000595046713 459228391 /nfs/dbraw/zinc/22/83/91/459228391.db2.gz CYYJHTRWLAMCHK-ZDUSSCGKSA-N 1 0 334.416 3.197 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595068378 459234675 /nfs/dbraw/zinc/23/46/75/459234675.db2.gz LNRMVWRNVKKEJF-YGRLFVJLSA-N 1 0 330.331 3.068 10 5 EGBERO Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595091918 459242089 /nfs/dbraw/zinc/24/20/89/459242089.db2.gz UNUMFCQNTCBQLH-CRAIPNDOSA-N 1 0 340.427 3.237 10 5 EGBERO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224309 459258608 /nfs/dbraw/zinc/25/86/08/459258608.db2.gz CNSGPFHHRRMWFI-DLBZAZTESA-N 1 0 345.443 3.152 10 5 EGBERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000522886813 459269291 /nfs/dbraw/zinc/26/92/91/459269291.db2.gz OHRPXVYASOFJGF-CYBMUJFWSA-N 1 0 339.461 3.349 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NCc1ccc(CC[NH+](C)C)cc1 ZINC000568651122 459325231 /nfs/dbraw/zinc/32/52/31/459325231.db2.gz IYQAFKPGXAXAGM-UHFFFAOYSA-N 1 0 329.400 3.320 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595817760 459451427 /nfs/dbraw/zinc/45/14/27/459451427.db2.gz CEFXCQOCZZAHEP-IYXRBSQSSA-N 1 0 337.395 3.348 10 5 EGBERO CN(C(=O)C[N@H+](CCC1CC1)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595871876 459468389 /nfs/dbraw/zinc/46/83/89/459468389.db2.gz SMAGFJIZOWDXLI-UHFFFAOYSA-N 1 0 331.416 3.070 10 5 EGBERO Cc1ccnc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591985356 459504329 /nfs/dbraw/zinc/50/43/29/459504329.db2.gz GZVROSNJGPTAFI-CVEARBPZSA-N 1 0 326.400 3.056 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000498320952 459581278 /nfs/dbraw/zinc/58/12/78/459581278.db2.gz BSZYMWKMZLSEEW-AWEZNQCLSA-N 1 0 347.459 3.497 10 5 EGBERO CC(C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000592397527 459591883 /nfs/dbraw/zinc/59/18/83/459591883.db2.gz MZLPWXMAAHZPIT-LPHOPBHVSA-N 1 0 348.443 3.084 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000597233093 459886766 /nfs/dbraw/zinc/88/67/66/459886766.db2.gz WZOJUHURINFHBB-OBHPCNEJSA-N 1 0 345.443 3.235 10 5 EGBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465971 459897892 /nfs/dbraw/zinc/89/78/92/459897892.db2.gz DJIDNHGMSJGJRE-SUMWQHHRSA-N 1 0 326.400 3.064 10 5 EGBERO C[C@@H]1c2ccccc2OCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609145701 459912290 /nfs/dbraw/zinc/91/22/90/459912290.db2.gz LJHRCTSGSYHHFN-CQSZACIVSA-N 1 0 328.368 3.429 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593652690 459941939 /nfs/dbraw/zinc/94/19/39/459941939.db2.gz KNOUTFWEKIXCTI-DASIIQCKSA-N 1 0 338.407 3.074 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(CO)CCC3)o2)cc1 ZINC000593694312 459954427 /nfs/dbraw/zinc/95/44/27/459954427.db2.gz YGVHKKHSALHUSJ-UHFFFAOYSA-N 1 0 330.384 3.497 10 5 EGBERO C[C@H](CC1CCOCC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959617 460011538 /nfs/dbraw/zinc/01/15/38/460011538.db2.gz JEPYOGBOKXTNAD-CYBMUJFWSA-N 1 0 331.416 3.413 10 5 EGBERO C[N@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000609874488 460032315 /nfs/dbraw/zinc/03/23/15/460032315.db2.gz DAQAPXKLTCRIKK-UHFFFAOYSA-N 1 0 339.823 3.243 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000594019388 460059231 /nfs/dbraw/zinc/05/92/31/460059231.db2.gz JHTMJAKFXZIODZ-QGZVFWFLSA-N 1 0 345.374 3.438 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000589511048 460097327 /nfs/dbraw/zinc/09/73/27/460097327.db2.gz YJPKQDWLGMIWKN-ZDUSSCGKSA-N 1 0 332.400 3.394 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000599041148 460136875 /nfs/dbraw/zinc/13/68/75/460136875.db2.gz BBRUEGLKQHRJPR-HNNXBMFYSA-N 1 0 326.400 3.208 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)n1 ZINC000618759124 460160178 /nfs/dbraw/zinc/16/01/78/460160178.db2.gz ZRFHZMRTFSNMBN-HNNXBMFYSA-N 1 0 340.427 3.233 10 5 EGBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599626497 460291387 /nfs/dbraw/zinc/29/13/87/460291387.db2.gz XAKDJYVFHGLTMM-PUXPGTEJSA-N 1 0 343.221 3.259 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599779756 460332642 /nfs/dbraw/zinc/33/26/42/460332642.db2.gz JTIKZSMPYKATDH-OAHLLOKOSA-N 1 0 332.404 3.042 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619581451 460389326 /nfs/dbraw/zinc/38/93/26/460389326.db2.gz FQPNSTLXIXHPMR-UHFFFAOYSA-N 1 0 349.350 3.111 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601229490 460758403 /nfs/dbraw/zinc/75/84/03/460758403.db2.gz RHIMETHTUHLJNI-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601559584 460832370 /nfs/dbraw/zinc/83/23/70/460832370.db2.gz UYCJUCJNKQPPQA-GDBMZVCRSA-N 1 0 345.443 3.106 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601791077 460899644 /nfs/dbraw/zinc/89/96/44/460899644.db2.gz GDYPXJFFCPWNKO-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601791038 460900320 /nfs/dbraw/zinc/90/03/20/460900320.db2.gz FMSXHSNJMZPLRM-DLBZAZTESA-N 1 0 345.443 3.031 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000131990545 534887779 /nfs/dbraw/zinc/88/77/79/534887779.db2.gz SONKVVNJRVEMDM-RBUKOAKNSA-N 1 0 340.423 3.109 10 5 EGBERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000189916106 528336792 /nfs/dbraw/zinc/33/67/92/528336792.db2.gz GSJFTBIOMYIRCJ-LLVKDONJSA-N 1 0 349.412 3.121 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000154144118 528606917 /nfs/dbraw/zinc/60/69/17/528606917.db2.gz HUOJWFGWKMGFHU-YOEHRIQHSA-N 1 0 344.411 3.420 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178308746 528611806 /nfs/dbraw/zinc/61/18/06/528611806.db2.gz AXDRSOLNKLNJKN-QGZVFWFLSA-N 1 0 344.415 3.163 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181525822 529178587 /nfs/dbraw/zinc/17/85/87/529178587.db2.gz QASZLARMMQTTDN-DOTOQJQBSA-N 1 0 348.374 3.215 10 5 EGBERO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029431 1296676579 /nfs/dbraw/zinc/67/65/79/1296676579.db2.gz WYUVRZQEXPOWAQ-ZFWWWQNUSA-N 1 0 332.375 3.236 10 5 EGBERO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077736 1296721150 /nfs/dbraw/zinc/72/11/50/1296721150.db2.gz AIBUAQBMCLWMBE-WCQYABFASA-N 1 0 336.338 3.300 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084786 1296724455 /nfs/dbraw/zinc/72/44/55/1296724455.db2.gz KRGRMLQVHIHEMQ-UPBYJADFSA-N 1 0 328.409 3.074 10 5 EGBERO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CCOC1 ZINC000872085046 1296725128 /nfs/dbraw/zinc/72/51/28/1296725128.db2.gz MRUSULHCSOSPGD-YWPYICTPSA-N 1 0 340.445 3.019 10 5 EGBERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000694751601 1298156519 /nfs/dbraw/zinc/15/65/19/1298156519.db2.gz JQFIBXYUQZBBGY-DDFAGTSDSA-N 1 0 343.221 3.403 10 5 EGBERO CC(C)[N@@H+]1CCc2nc(/C=C\c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000885644793 1303215844 /nfs/dbraw/zinc/21/58/44/1303215844.db2.gz OIISVPXDIQQTJN-XQRVVYSFSA-N 1 0 330.413 3.383 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886332077 1303437308 /nfs/dbraw/zinc/43/73/08/1303437308.db2.gz OQQSCIXRTWNYQF-JUSSUGNZSA-N 1 0 346.427 3.314 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886615326 1303524237 /nfs/dbraw/zinc/52/42/37/1303524237.db2.gz DFZNHRTXCMAUJH-CFVMTHIKSA-N 1 0 344.333 3.293 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 ZINC000886764225 1303589102 /nfs/dbraw/zinc/58/91/02/1303589102.db2.gz NVJSVEVQISHMKM-WXSAJPJJSA-N 1 0 348.443 3.232 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 ZINC000886764224 1303589509 /nfs/dbraw/zinc/58/95/09/1303589509.db2.gz NVJSVEVQISHMKM-RRIFGTCXSA-N 1 0 348.443 3.232 10 5 EGBERO Cc1ccnc(N)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894904272 1309122726 /nfs/dbraw/zinc/12/27/26/1309122726.db2.gz NZMYJQUCZZBHBG-HNNXBMFYSA-N 1 0 326.400 3.260 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899558815 1317090361 /nfs/dbraw/zinc/09/03/61/1317090361.db2.gz FKCNGTILSONKMY-HNNXBMFYSA-N 1 0 345.443 3.175 10 5 EGBERO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000858250731 1328722902 /nfs/dbraw/zinc/72/29/02/1328722902.db2.gz QMAWMLYVKHHESK-UHFFFAOYSA-N 1 0 327.384 3.176 10 5 EGBERO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384654 1319019187 /nfs/dbraw/zinc/01/91/87/1319019187.db2.gz AINSBTPSWPOEGX-SECBINFHSA-N 1 0 345.802 3.170 10 5 EGBERO COC(=O)/C=C\c1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000915212138 1319444567 /nfs/dbraw/zinc/44/45/67/1319444567.db2.gz ZMONKMDURZFOOK-LEJCZOIISA-N 1 0 347.415 3.067 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000930315464 1328832110 /nfs/dbraw/zinc/83/21/10/1328832110.db2.gz JULWFYWZBCVDJS-UHFFFAOYSA-N 1 0 336.436 3.263 10 5 EGBERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556229 1329016184 /nfs/dbraw/zinc/01/61/84/1329016184.db2.gz IMMFOSBXQNLDNC-FZKQIMNGSA-N 1 0 341.411 3.160 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn(C4CCC4)c3)c2c1 ZINC000922133362 1322463047 /nfs/dbraw/zinc/46/30/47/1322463047.db2.gz HXYFUEVFABOUDM-UHFFFAOYSA-N 1 0 339.399 3.330 10 5 EGBERO COc1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922676874 1322586695 /nfs/dbraw/zinc/58/66/95/1322586695.db2.gz CBHONKYWPNVODD-BXUZGUMPSA-N 1 0 348.321 3.193 10 5 EGBERO COc1ccc(C[NH2+]CC[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000922963675 1322663876 /nfs/dbraw/zinc/66/38/76/1322663876.db2.gz NCMWPIXAUKLCEL-GOSISDBHSA-N 1 0 342.395 3.397 10 5 EGBERO COc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000923023918 1322676748 /nfs/dbraw/zinc/67/67/48/1322676748.db2.gz FEQWZMBDOAIFEI-GOSISDBHSA-N 1 0 328.368 3.391 10 5 EGBERO COc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000923023921 1322677167 /nfs/dbraw/zinc/67/71/67/1322677167.db2.gz FEQWZMBDOAIFEI-SFHVURJKSA-N 1 0 328.368 3.391 10 5 EGBERO COc1ccc(C(C)(C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000859644718 1329043673 /nfs/dbraw/zinc/04/36/73/1329043673.db2.gz PUXAXGOOKVFNAZ-MRXNPFEDSA-N 1 0 348.374 3.301 10 5 EGBERO CCn1nc(C)c([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000925465038 1325164159 /nfs/dbraw/zinc/16/41/59/1325164159.db2.gz FRFHIKPKHJCFCN-ZDUSSCGKSA-N 1 0 331.420 3.188 10 5 EGBERO CCn1nc(C)c([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000925465032 1325164194 /nfs/dbraw/zinc/16/41/94/1325164194.db2.gz FRFHIKPKHJCFCN-CYBMUJFWSA-N 1 0 331.420 3.188 10 5 EGBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000926092934 1325422456 /nfs/dbraw/zinc/42/24/56/1325422456.db2.gz IFDOXUJVAZZUCN-CQSZACIVSA-N 1 0 346.431 3.228 10 5 EGBERO C[C@@H]1CC2(CC([NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)CO1 ZINC000926440427 1325555530 /nfs/dbraw/zinc/55/55/30/1325555530.db2.gz PVCCQDNECLMQTO-LVIIFESRSA-N 1 0 329.400 3.166 10 5 EGBERO C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926906052 1327768537 /nfs/dbraw/zinc/76/85/37/1327768537.db2.gz SFPZQEUOHGAMCZ-NURSFMCSSA-N 1 0 347.337 3.328 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000926959389 1327797804 /nfs/dbraw/zinc/79/78/04/1327797804.db2.gz SJZIHFKUNTZDAH-HZMBPMFUSA-N 1 0 349.353 3.137 10 5 EGBERO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC000927032774 1327825140 /nfs/dbraw/zinc/82/51/40/1327825140.db2.gz PJWRLQMCJCSYDE-ZFWWWQNUSA-N 1 0 335.473 3.437 10 5 EGBERO Cc1cc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000928012341 1328172175 /nfs/dbraw/zinc/17/21/75/1328172175.db2.gz XIGHDSWIWQOKJA-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000862488171 1329491346 /nfs/dbraw/zinc/49/13/46/1329491346.db2.gz CLMMNXGLOFIHMD-RCBBPTIPSA-N 1 0 330.384 3.240 10 5 EGBERO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862797308 1329510622 /nfs/dbraw/zinc/51/06/22/1329510622.db2.gz WCCMDFHEBZDMML-CQSZACIVSA-N 1 0 341.411 3.210 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000863567809 1329563986 /nfs/dbraw/zinc/56/39/86/1329563986.db2.gz FQWUFMYBSNSPOP-ZJPYXAASSA-N 1 0 344.798 3.210 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000866382370 1330104166 /nfs/dbraw/zinc/10/41/66/1330104166.db2.gz WVARFKJBLINOFB-YWSWHFDRSA-N 1 0 342.436 3.164 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000866391636 1330105605 /nfs/dbraw/zinc/10/56/05/1330105605.db2.gz MHMRHIBDPUPADC-LLVKDONJSA-N 1 0 346.349 3.195 10 5 EGBERO Cc1c(CC(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000867988644 1330237099 /nfs/dbraw/zinc/23/70/99/1330237099.db2.gz QQSMHISEMCIGOA-SFHVURJKSA-N 1 0 339.395 3.271 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867991481 1330237772 /nfs/dbraw/zinc/23/77/72/1330237772.db2.gz PZBFTTCNOGNLNS-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001203699612 1370224442 /nfs/dbraw/zinc/22/44/42/1370224442.db2.gz XRADOBCAUHKEKU-JNMQVBFRSA-N 1 0 344.386 3.330 10 5 EGBERO C[NH+](C)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 ZINC001187678187 1388141745 /nfs/dbraw/zinc/14/17/45/1388141745.db2.gz YTJXLPXQTJFMPA-AWEZNQCLSA-N 1 0 345.359 3.003 10 5 EGBERO CC[NH+](CC)CC[C@H](C)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001187921407 1388190557 /nfs/dbraw/zinc/19/05/57/1388190557.db2.gz UPKFEFVDPSIGEE-LBPRGKRZSA-N 1 0 334.395 3.236 10 5 EGBERO CC1(C)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001124023285 1372659620 /nfs/dbraw/zinc/65/96/20/1372659620.db2.gz MIONOAIUZJZYTL-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO C=C/C(C)=C\CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001273134820 1378090138 /nfs/dbraw/zinc/09/01/38/1378090138.db2.gz YIAJXOPCLTUQBF-ACAGNQJTSA-N 1 0 349.456 3.307 10 5 EGBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141609300 1378350813 /nfs/dbraw/zinc/35/08/13/1378350813.db2.gz DJKIFHTUYUXDTL-SNVBAGLBSA-N 1 0 345.802 3.238 10 5 EGBERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001148165460 1379127295 /nfs/dbraw/zinc/12/72/95/1379127295.db2.gz PIAZTRNVNHLASR-ZDUSSCGKSA-N 1 0 339.823 3.195 10 5 EGBERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001149004628 1379310538 /nfs/dbraw/zinc/31/05/38/1379310538.db2.gz PDKBWTAPUYLIKO-UHFFFAOYSA-N 1 0 331.347 3.356 10 5 EGBERO CC[NH+]1CCC(CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001162625706 1382814700 /nfs/dbraw/zinc/81/47/00/1382814700.db2.gz HQHKCTRJEJQREB-UHFFFAOYSA-N 1 0 349.431 3.224 10 5 EGBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001163941868 1383138012 /nfs/dbraw/zinc/13/80/12/1383138012.db2.gz BSHPFRZSLAGVSD-OAHLLOKOSA-N 1 0 335.452 3.329 10 5 EGBERO C[NH+](C)[C@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C12CCC2 ZINC001307165911 1383949123 /nfs/dbraw/zinc/94/91/23/1383949123.db2.gz VJIKTHAPHZBLFI-HOTGVXAUSA-N 1 0 326.400 3.428 10 5 EGBERO CC(C)(C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848333 1384040901 /nfs/dbraw/zinc/04/09/01/1384040901.db2.gz XRPBNDKGYQHVNJ-RHSMWYFYSA-N 1 0 345.443 3.458 10 5 EGBERO CC[C@H](CO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001308016960 1384075022 /nfs/dbraw/zinc/07/50/22/1384075022.db2.gz RYYQAFOCOZYKPL-QGZVFWFLSA-N 1 0 344.411 3.247 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001308027679 1384077349 /nfs/dbraw/zinc/07/73/49/1384077349.db2.gz IAJTVOKKEFYUSX-OAHLLOKOSA-N 1 0 335.360 3.084 10 5 EGBERO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(Cc2ccccc2)CCCC1 ZINC001308056226 1384082385 /nfs/dbraw/zinc/08/23/85/1384082385.db2.gz HSDTWBZYDKFRTK-UHFFFAOYSA-N 1 0 328.416 3.279 10 5 EGBERO CCOc1cc(C[NH2+][C@H](CC(=O)OC)C(C)(C)C)ccc1[N+](=O)[O-] ZINC001308106107 1384094190 /nfs/dbraw/zinc/09/41/90/1384094190.db2.gz LWKNDOMZEFLQQK-OAHLLOKOSA-N 1 0 338.404 3.061 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001308121934 1384096351 /nfs/dbraw/zinc/09/63/51/1384096351.db2.gz RKZFVQKNQDKDAG-INIZCTEOSA-N 1 0 328.416 3.368 10 5 EGBERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C12CCCC2 ZINC001170103747 1384236392 /nfs/dbraw/zinc/23/63/92/1384236392.db2.gz AQRGWQUASJINHN-SJORKVTESA-N 1 0 334.416 3.431 10 5 EGBERO CCC(C)(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001316640926 1384501279 /nfs/dbraw/zinc/50/12/79/1384501279.db2.gz CXXGYYYOYAXNFX-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO C[C@](CO)(NCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC001175324843 1385253604 /nfs/dbraw/zinc/25/36/04/1385253604.db2.gz WFIAYTNRRQINSE-QGZVFWFLSA-N 1 0 343.408 3.202 10 5 EGBERO CCC1(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001317647243 1385371825 /nfs/dbraw/zinc/37/18/25/1385371825.db2.gz VCKNGYPOFLBELX-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1C ZINC001332242828 1390062496 /nfs/dbraw/zinc/06/24/96/1390062496.db2.gz WEKQRDJKQHLYMS-INIZCTEOSA-N 1 0 345.443 3.348 10 5 EGBERO COc1ccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC001334934958 1390623480 /nfs/dbraw/zinc/62/34/80/1390623480.db2.gz MRFWFCGJTSOFHR-KRWDZBQOSA-N 1 0 327.384 3.208 10 5 EGBERO CC(C)CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001698793849 1406459530 /nfs/dbraw/zinc/45/95/30/1406459530.db2.gz PGRPWNBXAJRCPL-UHFFFAOYSA-N 1 0 339.461 3.221 10 5 EGBERO CC(C)(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001488813890 1391728264 /nfs/dbraw/zinc/72/82/64/1391728264.db2.gz YSVSVKGJWBPGOF-SHTZXODSSA-N 1 0 333.432 3.015 10 5 EGBERO O=C(CC1CCCC1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691131230 1405068326 /nfs/dbraw/zinc/06/83/26/1405068326.db2.gz ZYGZLXFTCVVRFI-JCNLHEQBSA-N 1 0 345.443 3.160 10 5 EGBERO CC[N@H+](CCCNC(=O)c1coc(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001731306399 1427248756 /nfs/dbraw/zinc/24/87/56/1427248756.db2.gz UGFZSOXXTPYLPL-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(C)=C(C)C ZINC001699195907 1412566780 /nfs/dbraw/zinc/56/67/80/1412566780.db2.gz HDVDVLLNWABJQX-UHFFFAOYSA-N 1 0 339.461 3.341 10 5 EGBERO CCC(=CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)CC ZINC001699649559 1413031613 /nfs/dbraw/zinc/03/16/13/1413031613.db2.gz YIRJDVRKCYHNSX-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO Cc1ccoc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001700188066 1413612490 /nfs/dbraw/zinc/61/24/90/1413612490.db2.gz PUGZMNILJVCIRC-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO CC(C)[N@H+](CCCNC(=O)C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001713695922 1418450199 /nfs/dbraw/zinc/45/01/99/1418450199.db2.gz OTKHXWIDUZGTMQ-UHFFFAOYSA-N 1 0 335.448 3.358 10 5 EGBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccsc1 ZINC001714662210 1419447874 /nfs/dbraw/zinc/44/78/74/1419447874.db2.gz GUIBKQGARNOJNY-UHFFFAOYSA-N 1 0 345.424 3.051 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCCC1 ZINC001715715807 1420308191 /nfs/dbraw/zinc/30/81/91/1420308191.db2.gz YIHKMEDURNJBTD-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC(C)(C)CC1 ZINC001731989259 1428199035 /nfs/dbraw/zinc/19/90/35/1428199035.db2.gz JOAXDWAXBBWBHG-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC1(CCC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001734218255 1437946983 /nfs/dbraw/zinc/94/69/83/1437946983.db2.gz AVDYNOQTPBIGJF-WKILWMFISA-N 1 0 345.443 3.160 10 5 EGBERO COc1ccccc1C[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000054125250 214217827 /nfs/dbraw/zinc/21/78/27/214217827.db2.gz WCDFLPAZSXLVOT-UHFFFAOYSA-N 1 0 342.399 3.075 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000078635505 217091966 /nfs/dbraw/zinc/09/19/66/217091966.db2.gz HHUKNYWPJVLZPA-QGZVFWFLSA-N 1 0 327.384 3.195 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000341109709 155164316 /nfs/dbraw/zinc/16/43/16/155164316.db2.gz UYWORGNRWJCPHS-CHWSQXEVSA-N 1 0 346.431 3.154 10 5 EGBERO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000122268141 152399737 /nfs/dbraw/zinc/39/97/37/152399737.db2.gz CXNXHBIOGISSIL-AWEZNQCLSA-N 1 0 344.367 3.240 10 5 EGBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000303586076 154048540 /nfs/dbraw/zinc/04/85/40/154048540.db2.gz QNEUGBYZPMQVSW-PKOBYXMFSA-N 1 0 346.427 3.157 10 5 EGBERO C[C@@H]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000337321483 154282867 /nfs/dbraw/zinc/28/28/67/154282867.db2.gz QEGSNPZUESOWMS-KDOFPFPSSA-N 1 0 331.416 3.436 10 5 EGBERO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368653944 157253087 /nfs/dbraw/zinc/25/30/87/157253087.db2.gz WKUYMRINXQKUOL-HNNXBMFYSA-N 1 0 349.431 3.062 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247801064 162974969 /nfs/dbraw/zinc/97/49/69/162974969.db2.gz VFKMCJGDYZTCRR-TZMCWYRMSA-N 1 0 349.456 3.016 10 5 EGBERO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344079404 164098803 /nfs/dbraw/zinc/09/88/03/164098803.db2.gz YFESRDFAOHXVRZ-CQSZACIVSA-N 1 0 347.415 3.220 10 5 EGBERO CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000344422631 164175343 /nfs/dbraw/zinc/17/53/43/164175343.db2.gz QMUWPARUVMZXDC-UHFFFAOYSA-N 1 0 326.400 3.091 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355155182 166119756 /nfs/dbraw/zinc/11/97/56/166119756.db2.gz WKMSOQXWEOOZSW-MRXNPFEDSA-N 1 0 345.443 3.350 10 5 EGBERO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739885 166293622 /nfs/dbraw/zinc/29/36/22/166293622.db2.gz JMFDURFWGAKDOT-MGPQQGTHSA-N 1 0 347.415 3.259 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000359095916 167065665 /nfs/dbraw/zinc/06/56/65/167065665.db2.gz KWLUOVYIHHEVSI-KRWDZBQOSA-N 1 0 340.427 3.317 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359556512 167191725 /nfs/dbraw/zinc/19/17/25/167191725.db2.gz MAIUPKUFWPASEB-UGSOOPFHSA-N 1 0 331.416 3.354 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000359823598 167241584 /nfs/dbraw/zinc/24/15/84/167241584.db2.gz UTEQZRFUYSVTLT-QGZVFWFLSA-N 1 0 345.374 3.075 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366812322 168144067 /nfs/dbraw/zinc/14/40/67/168144067.db2.gz UGGJYOJOEXLADJ-MPGHIAIKSA-N 1 0 334.416 3.062 10 5 EGBERO C[NH+](C)CCn1cc(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cn1 ZINC000122962978 222191369 /nfs/dbraw/zinc/19/13/69/222191369.db2.gz YKVVJLFSCYWLSW-UHFFFAOYSA-N 1 0 344.202 3.403 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124039714 222368687 /nfs/dbraw/zinc/36/86/87/222368687.db2.gz WWWZFZROVNPJKI-GOEBONIOSA-N 1 0 335.448 3.297 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000162570579 264909849 /nfs/dbraw/zinc/90/98/49/264909849.db2.gz HIAMFIKPMMATPC-UHFFFAOYSA-N 1 0 334.420 3.145 10 5 EGBERO CCOc1ccc(NC(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000177545317 265260776 /nfs/dbraw/zinc/26/07/76/265260776.db2.gz DIGMHXNQEYGQGX-KBPBESRZSA-N 1 0 347.415 3.054 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000273373922 267028938 /nfs/dbraw/zinc/02/89/38/267028938.db2.gz GGMJQIPHRNFZTF-JCQPUDPBSA-N 1 0 332.425 3.491 10 5 EGBERO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000158126171 275035376 /nfs/dbraw/zinc/03/53/76/275035376.db2.gz YZSCFARSNVFQMY-CQSZACIVSA-N 1 0 343.349 3.284 10 5 EGBERO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279705768 275351514 /nfs/dbraw/zinc/35/15/14/275351514.db2.gz JZABWVVSQBTTQM-ZFWWWQNUSA-N 1 0 349.431 3.330 10 5 EGBERO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279705763 275351566 /nfs/dbraw/zinc/35/15/66/275351566.db2.gz JZABWVVSQBTTQM-UKRRQHHQSA-N 1 0 349.431 3.330 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283354676 275715213 /nfs/dbraw/zinc/71/52/13/275715213.db2.gz MRTVYBRUBMPKBG-RYQLBKOJSA-N 1 0 348.443 3.203 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289681515 276377299 /nfs/dbraw/zinc/37/72/99/276377299.db2.gz NXZDIKQORXBADV-AWEZNQCLSA-N 1 0 332.322 3.183 10 5 EGBERO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000352929919 278021749 /nfs/dbraw/zinc/02/17/49/278021749.db2.gz JELRWIPXSVFREX-HNNXBMFYSA-N 1 0 331.416 3.027 10 5 EGBERO C[C@H](C[S@@](C)=O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248482083 308004376 /nfs/dbraw/zinc/00/43/76/308004376.db2.gz IOVZOVHTCXOLFG-QHXAMGISSA-N 1 0 332.425 3.041 10 5 EGBERO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCCC1 ZINC000414860219 309106025 /nfs/dbraw/zinc/10/60/25/309106025.db2.gz OWHFLABPYOXGCV-UHFFFAOYSA-N 1 0 343.374 3.338 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)C[NH3+] ZINC000415059498 309117439 /nfs/dbraw/zinc/11/74/39/309117439.db2.gz YFWNKVZDMDXYAY-FZKQIMNGSA-N 1 0 329.400 3.272 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000415944809 309150483 /nfs/dbraw/zinc/15/04/83/309150483.db2.gz QDZSVTZFHQBUTM-UHFFFAOYSA-N 1 0 342.399 3.069 10 5 EGBERO COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422933998 309376732 /nfs/dbraw/zinc/37/67/32/309376732.db2.gz BXBDBYUKHLMOBY-RBUKOAKNSA-N 1 0 341.411 3.186 10 5 EGBERO C[C@@]12C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368841 310174560 /nfs/dbraw/zinc/17/45/60/310174560.db2.gz MKDMWLSPALYSRU-QZNHQWIBSA-N 1 0 341.411 3.067 10 5 EGBERO CC[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC ZINC000453410982 310275787 /nfs/dbraw/zinc/27/57/87/310275787.db2.gz RUCPSTUEIPMPPY-DGCLKSJQSA-N 1 0 347.440 3.499 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000510852124 312149651 /nfs/dbraw/zinc/14/96/51/312149651.db2.gz VBDZLHCARCXTRY-GJZGRUSLSA-N 1 0 347.459 3.391 10 5 EGBERO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000536754119 314143653 /nfs/dbraw/zinc/14/36/53/314143653.db2.gz JOBPPWBMOKBCQJ-QFBILLFUSA-N 1 0 342.395 3.471 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000554873172 315354145 /nfs/dbraw/zinc/35/41/45/315354145.db2.gz TWRSQTJZUSBEJE-JNSHFYNHSA-N 1 0 346.383 3.473 10 5 EGBERO Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000235144402 456150662 /nfs/dbraw/zinc/15/06/62/456150662.db2.gz VUSWXDUIHKJFFT-SNVBAGLBSA-N 1 0 342.237 3.229 10 5 EGBERO CCCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183265853 455265392 /nfs/dbraw/zinc/26/53/92/455265392.db2.gz XGTAPAWWZRNPDQ-UHFFFAOYSA-N 1 0 347.459 3.422 10 5 EGBERO CN(CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120664016 454331954 /nfs/dbraw/zinc/33/19/54/454331954.db2.gz KQGGBRATFCZMBA-UHFFFAOYSA-N 1 0 345.399 3.201 10 5 EGBERO CC[NH+]1CCC(CCNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000092657604 454603074 /nfs/dbraw/zinc/60/30/74/454603074.db2.gz WMCMNLOJZLMASH-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690585 454772029 /nfs/dbraw/zinc/77/20/29/454772029.db2.gz NMMUTMWSPIDJGX-DLBZAZTESA-N 1 0 348.447 3.172 10 5 EGBERO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000125648208 454837068 /nfs/dbraw/zinc/83/70/68/454837068.db2.gz ICGSKPDHDIQCQS-ABAIWWIYSA-N 1 0 348.790 3.168 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000160513947 455467888 /nfs/dbraw/zinc/46/78/88/455467888.db2.gz OKMLJGKZCIVWJM-CYBMUJFWSA-N 1 0 339.823 3.098 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000114495065 454957859 /nfs/dbraw/zinc/95/78/59/454957859.db2.gz RSRYXYOKZNKCML-IBGZPJMESA-N 1 0 343.427 3.380 10 5 EGBERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000156968946 455159114 /nfs/dbraw/zinc/15/91/14/455159114.db2.gz QJCTUFLXWYOMND-MRXNPFEDSA-N 1 0 349.431 3.443 10 5 EGBERO Cc1cc(N2CCC[N@@H+](C3CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182925013 455192646 /nfs/dbraw/zinc/19/26/46/455192646.db2.gz RCOPDGWBOFHOCQ-UHFFFAOYSA-N 1 0 326.400 3.126 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000181531022 455349967 /nfs/dbraw/zinc/34/99/67/455349967.db2.gz NRIRXVLKENMADS-JQFCIGGWSA-N 1 0 333.432 3.330 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246468325 455495199 /nfs/dbraw/zinc/49/51/99/455495199.db2.gz GQEZBEDMVCYSBJ-YOEHRIQHSA-N 1 0 335.448 3.156 10 5 EGBERO CN1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284433800 455685384 /nfs/dbraw/zinc/68/53/84/455685384.db2.gz YTRVGUBCPCVPGH-LPHOPBHVSA-N 1 0 341.411 3.009 10 5 EGBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284833502 455750382 /nfs/dbraw/zinc/75/03/82/455750382.db2.gz QNRGBFGWAHFOGP-ZDUSSCGKSA-N 1 0 339.823 3.129 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000296378347 455922790 /nfs/dbraw/zinc/92/27/90/455922790.db2.gz JLRZOVBOYYJDFJ-DRCTWCGVSA-N 1 0 332.347 3.049 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280492707 455982281 /nfs/dbraw/zinc/98/22/81/455982281.db2.gz MKDFDNLNRBQFBC-KSSFIOAISA-N 1 0 334.416 3.234 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnn(C)c1 ZINC000271025800 456102165 /nfs/dbraw/zinc/10/21/65/456102165.db2.gz BDNNLBPQRHQPJE-AWEZNQCLSA-N 1 0 334.445 3.031 10 5 EGBERO COc1ccc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000237183572 456242778 /nfs/dbraw/zinc/24/27/78/456242778.db2.gz SWBHUNAKHGEEMZ-SCLBCKFNSA-N 1 0 336.432 3.270 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302160833 456304092 /nfs/dbraw/zinc/30/40/92/456304092.db2.gz PCUZXJKZODGJFC-LLVKDONJSA-N 1 0 329.347 3.483 10 5 EGBERO Cc1cc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)on1 ZINC000353093388 456485067 /nfs/dbraw/zinc/48/50/67/456485067.db2.gz HIQCSRCZKSJCSN-UHFFFAOYSA-N 1 0 327.340 3.484 10 5 EGBERO Cc1cc(NCCc2cnc(C3CC3)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340800998 456693472 /nfs/dbraw/zinc/69/34/72/456693472.db2.gz QCOTVMKBPRWEDH-UHFFFAOYSA-N 1 0 349.394 3.195 10 5 EGBERO CCc1nn(C)c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000340861091 456726382 /nfs/dbraw/zinc/72/63/82/456726382.db2.gz DCWHSFIJYIMLCD-AWEZNQCLSA-N 1 0 345.403 3.020 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000301127108 456803416 /nfs/dbraw/zinc/80/34/16/456803416.db2.gz ZXLJBJGGBBBHAE-MRXNPFEDSA-N 1 0 326.400 3.456 10 5 EGBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291993677 456822148 /nfs/dbraw/zinc/82/21/48/456822148.db2.gz QTOJCIFJLVFALL-UONOGXRCSA-N 1 0 326.400 3.206 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000362760229 457081025 /nfs/dbraw/zinc/08/10/25/457081025.db2.gz ULPLZSOCKNHIDT-ROUUACIJSA-N 1 0 329.375 3.269 10 5 EGBERO Cc1cnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000354431699 457217190 /nfs/dbraw/zinc/21/71/90/457217190.db2.gz SBHLIEKHXRJTIM-MRXNPFEDSA-N 1 0 326.400 3.009 10 5 EGBERO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000347333694 457359283 /nfs/dbraw/zinc/35/92/83/457359283.db2.gz CJKJARPKGHKIGA-YVEFUNNKSA-N 1 0 340.383 3.058 10 5 EGBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000425277166 457478906 /nfs/dbraw/zinc/47/89/06/457478906.db2.gz CHURNRTXPYWMDJ-DOTOQJQBSA-N 1 0 338.411 3.187 10 5 EGBERO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000342779656 457520438 /nfs/dbraw/zinc/52/04/38/457520438.db2.gz FBJNSJBBMBEABI-UHFFFAOYSA-N 1 0 333.432 3.241 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000361066124 457560119 /nfs/dbraw/zinc/56/01/19/457560119.db2.gz NOVKMDVZCQECSE-QGZVFWFLSA-N 1 0 346.383 3.209 10 5 EGBERO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000370743158 457711177 /nfs/dbraw/zinc/71/11/77/457711177.db2.gz XWKNIWNTXIMSFC-KRWDZBQOSA-N 1 0 345.399 3.299 10 5 EGBERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166789 457768210 /nfs/dbraw/zinc/76/82/10/457768210.db2.gz GZLNXOLGULZNAD-CRAIPNDOSA-N 1 0 347.459 3.018 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210991 457861323 /nfs/dbraw/zinc/86/13/23/457861323.db2.gz YMHOAIQVYVHXKM-YVVXQTMVSA-N 1 0 331.416 3.035 10 5 EGBERO COCC[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680067 457937253 /nfs/dbraw/zinc/93/72/53/457937253.db2.gz DEORCFFPRJUUJU-CYBMUJFWSA-N 1 0 332.404 3.110 10 5 EGBERO CS[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000362009198 458002700 /nfs/dbraw/zinc/00/27/00/458002700.db2.gz AGSMCDGHFNHDQT-JCGIZDLHSA-N 1 0 349.500 3.476 10 5 EGBERO C[C@H]1CC(C)(C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000412049872 458068267 /nfs/dbraw/zinc/06/82/67/458068267.db2.gz XDEYRZJJJIFTIU-LBPRGKRZSA-N 1 0 333.388 3.013 10 5 EGBERO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529902 458305907 /nfs/dbraw/zinc/30/59/07/458305907.db2.gz MULJPDUNCMGNFJ-VVLHAWIVSA-N 1 0 349.479 3.128 10 5 EGBERO COc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000459530485 458402729 /nfs/dbraw/zinc/40/27/29/458402729.db2.gz LTKCSWPIALJGOG-QGZVFWFLSA-N 1 0 336.432 3.270 10 5 EGBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000431076226 458525354 /nfs/dbraw/zinc/52/53/54/458525354.db2.gz DKCQEOCCOORJAY-WOICTCIZSA-N 1 0 331.416 3.399 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000424181915 458578388 /nfs/dbraw/zinc/57/83/88/458578388.db2.gz FBOMWZRRYXPGFA-CYBMUJFWSA-N 1 0 346.305 3.187 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000502357689 458646668 /nfs/dbraw/zinc/64/66/68/458646668.db2.gz BLAVGUYTXCGVOL-UHFFFAOYSA-N 1 0 334.420 3.289 10 5 EGBERO COC(=O)c1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000474782787 458901069 /nfs/dbraw/zinc/90/10/69/458901069.db2.gz ZSHDFHRHKCEUCR-CQSZACIVSA-N 1 0 349.431 3.000 10 5 EGBERO COC1CCC(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000519723143 458993256 /nfs/dbraw/zinc/99/32/56/458993256.db2.gz JFVZWJDJVZIBEZ-CBCUQQMYSA-N 1 0 349.431 3.107 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000477173287 459034034 /nfs/dbraw/zinc/03/40/34/459034034.db2.gz XNCTZMGMIFLCIO-OAHLLOKOSA-N 1 0 332.448 3.471 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508144 459067632 /nfs/dbraw/zinc/06/76/32/459067632.db2.gz BEBGGYJHGCCEIB-WCVJEAGWSA-N 1 0 335.448 3.052 10 5 EGBERO COC(=O)c1cc(NCC(C)(C)C[NH+]2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000478042557 459074059 /nfs/dbraw/zinc/07/40/59/459074059.db2.gz AHBWMRYIFYHQGH-UHFFFAOYSA-N 1 0 349.431 3.224 10 5 EGBERO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000594518201 459075666 /nfs/dbraw/zinc/07/56/66/459075666.db2.gz JDVAZHOSYSWBIO-ZQDZILKHSA-N 1 0 336.436 3.211 10 5 EGBERO Cc1cnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)nc1 ZINC000594614522 459115881 /nfs/dbraw/zinc/11/58/81/459115881.db2.gz XJUNSHWMBCBAAD-UHFFFAOYSA-N 1 0 342.399 3.045 10 5 EGBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590692433 459185377 /nfs/dbraw/zinc/18/53/77/459185377.db2.gz VLCKQSQZGHUYRE-HNNXBMFYSA-N 1 0 326.400 3.091 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000594978525 459204330 /nfs/dbraw/zinc/20/43/30/459204330.db2.gz DFCRAABKNPFERD-GUYCJALGSA-N 1 0 348.834 3.483 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC(O)(C3CC3)C3CC3)o2)cc1 ZINC000594982399 459205309 /nfs/dbraw/zinc/20/53/09/459205309.db2.gz DSPXTNANHTWLSW-UHFFFAOYSA-N 1 0 342.395 3.496 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CCC(O)CC2)o1 ZINC000594990845 459206165 /nfs/dbraw/zinc/20/61/65/459206165.db2.gz AZPZYWXJGKNPQL-UHFFFAOYSA-N 1 0 330.384 3.496 10 5 EGBERO NC(=O)CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594999464 459210561 /nfs/dbraw/zinc/21/05/61/459210561.db2.gz AHDUILWHJZYEDT-SOFGYWHQSA-N 1 0 331.416 3.024 10 5 EGBERO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000595001917 459211457 /nfs/dbraw/zinc/21/14/57/459211457.db2.gz XRBXEOLLIYUGKM-UHFFFAOYSA-N 1 0 339.823 3.164 10 5 EGBERO Cc1ccncc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595075053 459238933 /nfs/dbraw/zinc/23/89/33/459238933.db2.gz VMTOZGAANZYBBH-SFHVURJKSA-N 1 0 325.412 3.452 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093863 459243111 /nfs/dbraw/zinc/24/31/11/459243111.db2.gz OWSMNCQZZNUWFO-GFCCVEGCSA-N 1 0 328.359 3.494 10 5 EGBERO Cc1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595229753 459259761 /nfs/dbraw/zinc/25/97/61/459259761.db2.gz FGKVWOZAAFCQIE-OAHLLOKOSA-N 1 0 346.431 3.147 10 5 EGBERO O=[N+]([O-])c1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000591197124 459330690 /nfs/dbraw/zinc/33/06/90/459330690.db2.gz NCRXOPJDJFVOFR-UHFFFAOYSA-N 1 0 347.440 3.095 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549597 459343119 /nfs/dbraw/zinc/34/31/19/459343119.db2.gz UHSUIMXKXRVECR-ZFWWWQNUSA-N 1 0 348.447 3.136 10 5 EGBERO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595581219 459354025 /nfs/dbraw/zinc/35/40/25/459354025.db2.gz KYUQSIMRKRRZNT-HUUCEWRRSA-N 1 0 348.447 3.075 10 5 EGBERO COc1ccc(OCC[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000595706751 459407331 /nfs/dbraw/zinc/40/73/31/459407331.db2.gz JZAGIHVSLFVZCZ-SUMWQHHRSA-N 1 0 342.395 3.300 10 5 EGBERO COc1ccc(OCC[N@@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595755156 459426837 /nfs/dbraw/zinc/42/68/37/459426837.db2.gz HHIPVBVXUALVOT-ZDUSSCGKSA-N 1 0 326.368 3.054 10 5 EGBERO COc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091622 459517927 /nfs/dbraw/zinc/51/79/27/459517927.db2.gz AULVOMMBUWQCAA-LLVKDONJSA-N 1 0 327.812 3.399 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H](O)CC1 ZINC000592130681 459530870 /nfs/dbraw/zinc/53/08/70/459530870.db2.gz IMJVJAMYHVSDOL-IYARVYRRSA-N 1 0 341.411 3.296 10 5 EGBERO Cc1ccccc1C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000592139391 459534273 /nfs/dbraw/zinc/53/42/73/459534273.db2.gz BYJNGXZPOOLBPS-UHFFFAOYSA-N 1 0 339.395 3.429 10 5 EGBERO CC(C)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CC=CC1 ZINC000592177810 459543520 /nfs/dbraw/zinc/54/35/20/459543520.db2.gz SNCKXZBHBRXACF-MRXNPFEDSA-N 1 0 340.370 3.316 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592425642 459598702 /nfs/dbraw/zinc/59/87/02/459598702.db2.gz GTGWJCLVLVXPAN-HNNXBMFYSA-N 1 0 332.404 3.008 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccccc2C[C@H]2CCCC[NH2+]2)c1 ZINC000596647719 459713534 /nfs/dbraw/zinc/71/35/34/459713534.db2.gz WARFPOYUHULXCW-QGZVFWFLSA-N 1 0 340.423 3.481 10 5 EGBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000563219649 459742075 /nfs/dbraw/zinc/74/20/75/459742075.db2.gz UGKPCWOFCJJVCH-BLLLJJGKSA-N 1 0 333.388 3.137 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1 ZINC000593024658 459744435 /nfs/dbraw/zinc/74/44/35/459744435.db2.gz JKIXVPLPZBEGJW-LBPRGKRZSA-N 1 0 348.321 3.448 10 5 EGBERO C[C@@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)C1O ZINC000597203946 459876421 /nfs/dbraw/zinc/87/64/21/459876421.db2.gz AVBURLHQDKGCCL-CHWSQXEVSA-N 1 0 330.384 3.304 10 5 EGBERO CC(C)c1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597248311 459894137 /nfs/dbraw/zinc/89/41/37/459894137.db2.gz PYICHGUFEMXGQA-QGZVFWFLSA-N 1 0 349.475 3.261 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC34CCOCC4)co2)cc1 ZINC000618318226 459965192 /nfs/dbraw/zinc/96/51/92/459965192.db2.gz JQBRHKVNFWULAF-UHFFFAOYSA-N 1 0 329.356 3.005 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000598989503 460118925 /nfs/dbraw/zinc/11/89/25/460118925.db2.gz JHYWVJGLVRRWRE-XSHSDMCLSA-N 1 0 340.305 3.198 10 5 EGBERO O=[N+]([O-])c1c(NCCc2cn3c(n2)CCCC3)ccc2cnccc21 ZINC000599020339 460128662 /nfs/dbraw/zinc/12/86/62/460128662.db2.gz NUHYQJNWCVWLLV-UHFFFAOYSA-N 1 0 337.383 3.330 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cccc1[N+](=O)[O-] ZINC000599073451 460152271 /nfs/dbraw/zinc/15/22/71/460152271.db2.gz DOUJIPPGPWQZHZ-SCLBCKFNSA-N 1 0 339.395 3.381 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599085164 460156770 /nfs/dbraw/zinc/15/67/70/460156770.db2.gz VWZSTBBMIHUUCC-CQSZACIVSA-N 1 0 333.432 3.202 10 5 EGBERO CC(C)[N@H+](C)CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000576819055 460219493 /nfs/dbraw/zinc/21/94/93/460219493.db2.gz GEKMQBBTGHMIDO-UHFFFAOYSA-N 1 0 346.475 3.425 10 5 EGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599777249 460332132 /nfs/dbraw/zinc/33/21/32/460332132.db2.gz ANLJUJNANCJVRF-INIZCTEOSA-N 1 0 332.404 3.123 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc(C4CC4)o3)c2c1 ZINC000600163844 460414979 /nfs/dbraw/zinc/41/49/79/460414979.db2.gz LCNAEYJCUHOAAC-UHFFFAOYSA-N 1 0 326.356 3.274 10 5 EGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600469382 460499259 /nfs/dbraw/zinc/49/92/59/460499259.db2.gz AKEZZWNCGHNPTQ-CYBMUJFWSA-N 1 0 349.456 3.063 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H](O)C(F)F)c2ccccc2)c1 ZINC000601299564 460779973 /nfs/dbraw/zinc/77/99/73/460779973.db2.gz RMSVSCRGXACAJZ-HOTGVXAUSA-N 1 0 336.338 3.290 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601559589 460832629 /nfs/dbraw/zinc/83/26/29/460832629.db2.gz UYCJUCJNKQPPQA-ZBFHGGJFSA-N 1 0 345.443 3.106 10 5 EGBERO CC(C)COc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181391072 528164417 /nfs/dbraw/zinc/16/44/17/528164417.db2.gz CALQKICPIHFKBP-AWEZNQCLSA-N 1 0 332.404 3.177 10 5 EGBERO CC[C@H](C[NH+]1CCCC1)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000735832001 575720768 /nfs/dbraw/zinc/72/07/68/575720768.db2.gz BPKHGIUPFILXHU-SOIVGHGOSA-N 1 0 347.415 3.067 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738516530 576333422 /nfs/dbraw/zinc/33/34/22/576333422.db2.gz RIDHQCADAIIEAU-UHFFFAOYSA-N 1 0 341.411 3.237 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000744151617 576821550 /nfs/dbraw/zinc/82/15/50/576821550.db2.gz MKWNUEDGEGLBCI-INIZCTEOSA-N 1 0 340.379 3.335 10 5 EGBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccncc1 ZINC000172938348 1294450706 /nfs/dbraw/zinc/45/07/06/1294450706.db2.gz PGSYNPOUNSRVKX-UHFFFAOYSA-N 1 0 341.415 3.467 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872051684 1296703057 /nfs/dbraw/zinc/70/30/57/1296703057.db2.gz KFAFRNXWEODGSK-XIKOKIGWSA-N 1 0 330.359 3.219 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088464 1296726592 /nfs/dbraw/zinc/72/65/92/1296726592.db2.gz RFTKWRSSWXEZIX-GHMZBOCLSA-N 1 0 331.338 3.114 10 5 EGBERO COCC(C)(C)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000872104399 1296732380 /nfs/dbraw/zinc/73/23/80/1296732380.db2.gz CZEFDZVDYOBTMW-INIZCTEOSA-N 1 0 346.431 3.070 10 5 EGBERO CC(C)OC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000872115624 1296741976 /nfs/dbraw/zinc/74/19/76/1296741976.db2.gz FPNCBUUGFGSNTF-CQSZACIVSA-N 1 0 349.431 3.249 10 5 EGBERO Cc1nccnc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872132564 1296757278 /nfs/dbraw/zinc/75/72/78/1296757278.db2.gz GIKIFMJOJHACEW-CQSZACIVSA-N 1 0 341.415 3.013 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872279982 1296889149 /nfs/dbraw/zinc/88/91/49/1296889149.db2.gz IFPCEOXRJUMTHW-ROUUACIJSA-N 1 0 334.416 3.052 10 5 EGBERO CC1(C)C[NH2+]CC[C@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC000700004166 1298174250 /nfs/dbraw/zinc/17/42/50/1298174250.db2.gz MOERWXFZOUNEBD-LLVKDONJSA-N 1 0 329.194 3.124 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000888858023 1304306127 /nfs/dbraw/zinc/30/61/27/1304306127.db2.gz KUJCKYQDPYNRDT-INIZCTEOSA-N 1 0 345.443 3.302 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000895582060 1309412429 /nfs/dbraw/zinc/41/24/29/1309412429.db2.gz DXOVZVOJOBZQKQ-LLVKDONJSA-N 1 0 349.412 3.058 10 5 EGBERO CC[NH+](CC)CCCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000929219664 1328540197 /nfs/dbraw/zinc/54/01/97/1328540197.db2.gz UFRYYYMDYYLJAM-UHFFFAOYSA-N 1 0 341.839 3.029 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000930208934 1328812091 /nfs/dbraw/zinc/81/20/91/1328812091.db2.gz XWPGTACNMHOJSH-JVPBZIDWSA-N 1 0 344.411 3.120 10 5 EGBERO COC(OC)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000922312003 1322498004 /nfs/dbraw/zinc/49/80/04/1322498004.db2.gz PJJQBIHNTFDBQD-NSHDSACASA-N 1 0 336.413 3.420 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000922612929 1322571127 /nfs/dbraw/zinc/57/11/27/1322571127.db2.gz SGWWHKSKTUFBIH-DWCFMXGVSA-N 1 0 334.416 3.172 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC3CCOCC3)o2)cc1 ZINC000922932815 1322652904 /nfs/dbraw/zinc/65/29/04/1322652904.db2.gz FXDWPXLFIOOSRJ-UHFFFAOYSA-N 1 0 346.383 3.140 10 5 EGBERO O=C(CC[N@@H+]1CCCC2(CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860072731 1329140882 /nfs/dbraw/zinc/14/08/82/1329140882.db2.gz GDBGTEZPUJUMRW-UHFFFAOYSA-N 1 0 335.379 3.329 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000925383836 1325136748 /nfs/dbraw/zinc/13/67/48/1325136748.db2.gz YCCYCTABDJQRBA-CYBMUJFWSA-N 1 0 330.388 3.246 10 5 EGBERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000926848164 1327740451 /nfs/dbraw/zinc/74/04/51/1327740451.db2.gz AVJWAMXVMYUNLH-MSRIBSCDSA-N 1 0 343.221 3.118 10 5 EGBERO Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nn1C ZINC000926916683 1327775249 /nfs/dbraw/zinc/77/52/49/1327775249.db2.gz YVJVCXXDURNICC-MAUKXSAKSA-N 1 0 342.443 3.180 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000926964768 1327801878 /nfs/dbraw/zinc/80/18/78/1327801878.db2.gz SVQTZHHNFZTSPT-SMDDNHRTSA-N 1 0 333.354 3.436 10 5 EGBERO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)n1 ZINC000927057680 1327834101 /nfs/dbraw/zinc/83/41/01/1327834101.db2.gz ONEQYHILDJSAKH-TYNCELHUSA-N 1 0 342.399 3.453 10 5 EGBERO Cc1cc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000928012609 1328172117 /nfs/dbraw/zinc/17/21/17/1328172117.db2.gz FXINYRCTWAQIBF-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO C/C(=C\C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033483 1329524729 /nfs/dbraw/zinc/52/47/29/1329524729.db2.gz VOPCFSQEFFSOPQ-QIXNEVBVSA-N 1 0 343.427 3.131 10 5 EGBERO Cc1ccc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)cc1[N+](=O)[O-] ZINC000865788073 1329738488 /nfs/dbraw/zinc/73/84/88/1329738488.db2.gz XYIVJYBTOHAVAQ-UHFFFAOYSA-N 1 0 328.416 3.433 10 5 EGBERO C[NH+](C)C1(C)CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000866146751 1330070662 /nfs/dbraw/zinc/07/06/62/1330070662.db2.gz ANZKQLIOEMBHPT-UHFFFAOYSA-N 1 0 335.433 3.274 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]21 ZINC000866207737 1330078373 /nfs/dbraw/zinc/07/83/73/1330078373.db2.gz JNCVOSGJNDXINM-HZPDHXFCSA-N 1 0 338.411 3.187 10 5 EGBERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866303411 1330093307 /nfs/dbraw/zinc/09/33/07/1330093307.db2.gz SFUBHQJFMYTYEY-RISCZKNCSA-N 1 0 338.404 3.358 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000866391637 1330105586 /nfs/dbraw/zinc/10/55/86/1330105586.db2.gz MHMRHIBDPUPADC-NSHDSACASA-N 1 0 346.349 3.195 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867989005 1330236890 /nfs/dbraw/zinc/23/68/90/1330236890.db2.gz ZHVFGIFHJYDAJL-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO Cc1c(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000867991271 1330237735 /nfs/dbraw/zinc/23/77/35/1330237735.db2.gz NCHFKBLKMFJJFV-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000868157823 1330256440 /nfs/dbraw/zinc/25/64/40/1330256440.db2.gz IKBOBOYFVCIQBW-GJZGRUSLSA-N 1 0 346.431 3.251 10 5 EGBERO CC[C@H](C)[N@@H+](CCc1ccccc1F)CCn1cc([N+](=O)[O-])cn1 ZINC001190615666 1367308365 /nfs/dbraw/zinc/30/83/65/1367308365.db2.gz HJZSUIZRLXMYEO-AWEZNQCLSA-N 1 0 334.395 3.274 10 5 EGBERO CC1([NH+]2CCCCC2)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001197582139 1368844251 /nfs/dbraw/zinc/84/42/51/1368844251.db2.gz JLXQBEFZNFYIKK-UHFFFAOYSA-N 1 0 347.459 3.314 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(Nc2ccc3nccn3c2)cc1C ZINC001187116338 1388055588 /nfs/dbraw/zinc/05/55/88/1388055588.db2.gz BLOACVIETJMMDK-UHFFFAOYSA-N 1 0 340.339 3.471 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001124129114 1372678117 /nfs/dbraw/zinc/67/81/17/1372678117.db2.gz XBUHOIZPFKNHJV-GFCCVEGCSA-N 1 0 341.839 3.027 10 5 EGBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1F ZINC001126597891 1372980495 /nfs/dbraw/zinc/98/04/95/1372980495.db2.gz RYWZXRNSXNOSEW-AWEZNQCLSA-N 1 0 349.406 3.037 10 5 EGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001132619097 1375486650 /nfs/dbraw/zinc/48/66/50/1375486650.db2.gz LZJQACGAZNNCSO-MRXNPFEDSA-N 1 0 349.406 3.261 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001132618576 1375486879 /nfs/dbraw/zinc/48/68/79/1375486879.db2.gz CBTSQVXIQGOFFJ-QGZVFWFLSA-N 1 0 345.443 3.430 10 5 EGBERO Cc1sccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001277055445 1378203370 /nfs/dbraw/zinc/20/33/70/1378203370.db2.gz RGXMBPHKOFDWAL-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(CC2(F)F)C1 ZINC001327604916 1388566406 /nfs/dbraw/zinc/56/64/06/1388566406.db2.gz CYXCKXWUPBWJPE-CKQAKLJMSA-N 1 0 339.342 3.089 10 5 EGBERO Nc1c(C(=O)Nc2ccc3c[nH+]cn3c2)cc2ccccc2c1[N+](=O)[O-] ZINC001157405382 1380869869 /nfs/dbraw/zinc/86/98/69/1380869869.db2.gz VPUVKRARZWNPAC-UHFFFAOYSA-N 1 0 347.334 3.230 10 5 EGBERO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC001164008194 1383146013 /nfs/dbraw/zinc/14/60/13/1383146013.db2.gz KVHDUWAQRDPEHG-UHFFFAOYSA-N 1 0 340.427 3.183 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1CCC[C@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634008 1384005722 /nfs/dbraw/zinc/00/57/22/1384005722.db2.gz UHXLLLTUWAJMTE-FGTMMUONSA-N 1 0 334.416 3.364 10 5 EGBERO O=C(CC[N@H+](CCC1CC1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307954252 1384063973 /nfs/dbraw/zinc/06/39/73/1384063973.db2.gz RQQMXCFXPBPPLV-UHFFFAOYSA-N 1 0 331.416 3.436 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001308159928 1384103286 /nfs/dbraw/zinc/10/32/86/1384103286.db2.gz LTWQHSNMAQISAH-ZWKOTPCHSA-N 1 0 334.416 3.397 10 5 EGBERO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1C ZINC001170193065 1384260120 /nfs/dbraw/zinc/26/01/20/1384260120.db2.gz DCDYUGHONXYYGY-UHFFFAOYSA-N 1 0 342.395 3.364 10 5 EGBERO CC[N@H+](CCNC(=O)C1CCC=CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317489664 1385189474 /nfs/dbraw/zinc/18/94/74/1385189474.db2.gz BOQIHXCKDVQKIM-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CCC[N@H+](CCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317541952 1385281659 /nfs/dbraw/zinc/28/16/59/1385281659.db2.gz ILWYVZMKAAGEJH-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001175533030 1385323776 /nfs/dbraw/zinc/32/37/76/1385323776.db2.gz UHJRPPXZWZUMQL-QGZVFWFLSA-N 1 0 344.411 3.377 10 5 EGBERO COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)O2 ZINC001176036009 1385468806 /nfs/dbraw/zinc/46/88/06/1385468806.db2.gz HHZTZRAVYCKNCD-YVEFUNNKSA-N 1 0 328.368 3.258 10 5 EGBERO CCC(=CC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)CC ZINC001319988894 1386437088 /nfs/dbraw/zinc/43/70/88/1386437088.db2.gz AHNXAEJEIHIBGG-UHFFFAOYSA-N 1 0 333.432 3.231 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC001321504540 1386918993 /nfs/dbraw/zinc/91/89/93/1386918993.db2.gz ICWANWGEWPUURF-MRXNPFEDSA-N 1 0 348.786 3.465 10 5 EGBERO CC(C)(C)c1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001330962440 1389578655 /nfs/dbraw/zinc/57/86/55/1389578655.db2.gz GBTBUYCAWYZDGP-UHFFFAOYSA-N 1 0 328.416 3.147 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001347656174 1391106810 /nfs/dbraw/zinc/10/68/10/1391106810.db2.gz AYFUXFUFENLNLG-QWHCGFSZSA-N 1 0 339.411 3.074 10 5 EGBERO C[N@@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CCC1(C)C ZINC001351791619 1391690434 /nfs/dbraw/zinc/69/04/34/1391690434.db2.gz VTBANURLHHHAQD-UHFFFAOYSA-N 1 0 349.822 3.112 10 5 EGBERO CCC(=CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)CC ZINC001488823093 1391730720 /nfs/dbraw/zinc/73/07/20/1391730720.db2.gz XMAQBMDUPBOIBN-JCNLHEQBSA-N 1 0 345.443 3.326 10 5 EGBERO CC(C)(C)C(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001482007283 1394667285 /nfs/dbraw/zinc/66/72/85/1394667285.db2.gz SAYMDAFVLYQNNX-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO O=C(CC1CC1)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001485446634 1395913751 /nfs/dbraw/zinc/91/37/51/1395913751.db2.gz YZQJNAJZZAVFKX-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=C(CCC1CCC1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001485681599 1396102733 /nfs/dbraw/zinc/10/27/33/1396102733.db2.gz VHRORKGQJUREGX-QAQDUYKDSA-N 1 0 345.443 3.160 10 5 EGBERO C/C=C(/C)C(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001732227132 1428475337 /nfs/dbraw/zinc/47/53/37/1428475337.db2.gz FMCZOTVSACIPNM-BNNQUZSASA-N 1 0 331.416 3.080 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(CC)CCC1 ZINC001732791115 1428972816 /nfs/dbraw/zinc/97/28/16/1428972816.db2.gz DKMYXAAUWFJEBM-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCc1ccsc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713476347 1418157798 /nfs/dbraw/zinc/15/77/98/1418157798.db2.gz BDRAWCUGVGMVDL-UHFFFAOYSA-N 1 0 347.440 3.081 10 5 EGBERO O=C(CC1=CCCCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733239985 1429382382 /nfs/dbraw/zinc/38/23/82/1429382382.db2.gz IDPKSCCSFQZIAX-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO C[N@H+](CCC1CCN(C(=O)C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001715442562 1420127338 /nfs/dbraw/zinc/12/73/38/1420127338.db2.gz PHQYISBCTSMJFM-UHFFFAOYSA-N 1 0 345.443 3.065 10 5 EGBERO CCCC(=O)N1CCC(CC)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001717235085 1421203064 /nfs/dbraw/zinc/20/30/64/1421203064.db2.gz YSVOVJKFOAHHTB-UHFFFAOYSA-N 1 0 333.432 3.256 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1 ZINC001717449552 1421379823 /nfs/dbraw/zinc/37/98/23/1421379823.db2.gz VRMOZVRKGRJDLR-UHFFFAOYSA-N 1 0 345.399 3.076 10 5 EGBERO CC(C)(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001717636480 1421544511 /nfs/dbraw/zinc/54/45/11/1421544511.db2.gz UGTUXNMMESQWOH-SHTZXODSSA-N 1 0 333.432 3.015 10 5 EGBERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001198219768 1126155098 /nfs/dbraw/zinc/15/50/98/1126155098.db2.gz SBISHPHGZXPWNA-KRWDZBQOSA-N 1 0 334.803 3.332 10 5 EGBERO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000071924601 215973460 /nfs/dbraw/zinc/97/34/60/215973460.db2.gz LMEONLCLQMLVQC-INIZCTEOSA-N 1 0 341.411 3.220 10 5 EGBERO CCC[C@@H](O)C[NH2+][C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000036160140 213074781 /nfs/dbraw/zinc/07/47/81/213074781.db2.gz RTOSXIYEIGYXPT-HUUCEWRRSA-N 1 0 348.403 3.093 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)cc1 ZINC000377345794 169012888 /nfs/dbraw/zinc/01/28/88/169012888.db2.gz MTYJPWMFVFLFRL-ZWKOTPCHSA-N 1 0 347.365 3.408 10 5 EGBERO CC(C)[N@@H+]1CCc2nc(/C=C/c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000378638138 169151282 /nfs/dbraw/zinc/15/12/82/169151282.db2.gz OIISVPXDIQQTJN-GQCTYLIASA-N 1 0 330.413 3.383 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000237440498 141002788 /nfs/dbraw/zinc/00/27/88/141002788.db2.gz KLMYKGPILABHJL-LBPRGKRZSA-N 1 0 332.356 3.132 10 5 EGBERO CCc1nnc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190661493 153153412 /nfs/dbraw/zinc/15/34/12/153153412.db2.gz PLCKLRBWNOCLJM-LBPRGKRZSA-N 1 0 329.404 3.216 10 5 EGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000237333248 153511025 /nfs/dbraw/zinc/51/10/25/153511025.db2.gz WUKDCASQDITKFS-UHFFFAOYSA-N 1 0 337.445 3.098 10 5 EGBERO COc1ccccc1/C=C/CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348932115 156292097 /nfs/dbraw/zinc/29/20/97/156292097.db2.gz DPCLNBLKYFKEPL-SOFGYWHQSA-N 1 0 327.384 3.082 10 5 EGBERO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000397745564 308904719 /nfs/dbraw/zinc/90/47/19/308904719.db2.gz YPEDIEQFMRZZKH-GZMMTYOYSA-N 1 0 331.235 3.198 10 5 EGBERO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344433925 164178066 /nfs/dbraw/zinc/17/80/66/164178066.db2.gz NSZFVWRWRVCUBB-UHFFFAOYSA-N 1 0 340.427 3.338 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355739912 166293965 /nfs/dbraw/zinc/29/39/65/166293965.db2.gz JPZAZTKBINZAOT-RDBSUJKOSA-N 1 0 349.431 3.298 10 5 EGBERO CS[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000358803607 166975715 /nfs/dbraw/zinc/97/57/15/166975715.db2.gz FRTQURGURVUFIT-IAOVAPTHSA-N 1 0 335.473 3.167 10 5 EGBERO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000269659437 266336297 /nfs/dbraw/zinc/33/62/97/266336297.db2.gz PSWHASQTEACDDE-MDASCCDHSA-N 1 0 342.395 3.090 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278412149 268006818 /nfs/dbraw/zinc/00/68/18/268006818.db2.gz QDZSMNNBFHKUPY-OCCSQVGLSA-N 1 0 332.322 3.038 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000181359683 275206580 /nfs/dbraw/zinc/20/65/80/275206580.db2.gz FSIDHHDIIHQTTJ-CYBMUJFWSA-N 1 0 345.374 3.356 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000289394461 276332544 /nfs/dbraw/zinc/33/25/44/276332544.db2.gz MYLXACIKVHVDMO-AEFFLSMTSA-N 1 0 329.375 3.269 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000289723531 276383720 /nfs/dbraw/zinc/38/37/20/276383720.db2.gz IJYQFVUXLLVAIY-CXAGYDPISA-N 1 0 348.447 3.351 10 5 EGBERO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341849583 280247933 /nfs/dbraw/zinc/24/79/33/280247933.db2.gz QLOKNYJQHOKXFD-PBHICJAKSA-N 1 0 348.447 3.075 10 5 EGBERO CCc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173396474 281394265 /nfs/dbraw/zinc/39/42/65/281394265.db2.gz SZHHMFKPHUPCHU-QGZVFWFLSA-N 1 0 345.443 3.248 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]([C@H]2CCOC2)[NH+]2CCCC2)c(Cl)c1 ZINC000040153821 304803617 /nfs/dbraw/zinc/80/36/17/304803617.db2.gz HSXKUBOXIJTMDV-LRDDRELGSA-N 1 0 339.823 3.161 10 5 EGBERO CCn1ccnc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295836774 308365482 /nfs/dbraw/zinc/36/54/82/308365482.db2.gz AFZPKYOZEVHSKA-ZBFHGGJFSA-N 1 0 328.416 3.312 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415691111 309141118 /nfs/dbraw/zinc/14/11/18/309141118.db2.gz FNTACMBFTXTACN-VXGBXAGGSA-N 1 0 334.420 3.284 10 5 EGBERO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415696391 309141274 /nfs/dbraw/zinc/14/12/74/309141274.db2.gz SBHLJAFXAACAAD-AAEUAGOBSA-N 1 0 334.420 3.154 10 5 EGBERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415709371 309141556 /nfs/dbraw/zinc/14/15/56/309141556.db2.gz YGKFZZKJAQJSAX-RYUDHWBXSA-N 1 0 334.420 3.093 10 5 EGBERO CC[C@@H]([NH2+]CCCNCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423192506 309389918 /nfs/dbraw/zinc/38/99/18/309389918.db2.gz VOBOCINREWCIFW-GOSISDBHSA-N 1 0 328.416 3.210 10 5 EGBERO CCc1ccc([C@H](N[C@H]2CC[NH2+]C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389711 309398201 /nfs/dbraw/zinc/39/82/01/309398201.db2.gz JNSWHOVDVYKCDU-SOVGHPHASA-N 1 0 343.427 3.427 10 5 EGBERO C[C@@]12C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357444 310173903 /nfs/dbraw/zinc/17/39/03/310173903.db2.gz AAHJQRXALMMFJL-MCTLKSGKSA-N 1 0 325.368 3.380 10 5 EGBERO COC1([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453145700 310260688 /nfs/dbraw/zinc/26/06/88/310260688.db2.gz HEGVAWMLHOBHTQ-OAHLLOKOSA-N 1 0 336.432 3.091 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000508582197 312097231 /nfs/dbraw/zinc/09/72/31/312097231.db2.gz MBIYXKQQJARWLP-GFCCVEGCSA-N 1 0 346.408 3.318 10 5 EGBERO COc1ccc(C[NH2+]C[C@@H]2CSc3ccccc3O2)cc1[N+](=O)[O-] ZINC000519657926 312468982 /nfs/dbraw/zinc/46/89/82/312468982.db2.gz XNAVDRMNEAWJSH-CYBMUJFWSA-N 1 0 346.408 3.246 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CCO)CCCCC3)co2)cc1 ZINC000535553176 314052900 /nfs/dbraw/zinc/05/29/00/314052900.db2.gz LIHHDWHYNUAAGC-UHFFFAOYSA-N 1 0 345.399 3.425 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000540179310 314367778 /nfs/dbraw/zinc/36/77/78/314367778.db2.gz XYPDYKDPXJOALA-ZDUSSCGKSA-N 1 0 347.440 3.435 10 5 EGBERO CCCC[NH+]1CCC(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114690 314436407 /nfs/dbraw/zinc/43/64/07/314436407.db2.gz ALOVCAWSCYXCFV-UHFFFAOYSA-N 1 0 335.404 3.058 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000553888888 315287121 /nfs/dbraw/zinc/28/71/21/315287121.db2.gz MDFGVWLJDCFWDJ-MRXNPFEDSA-N 1 0 346.814 3.210 10 5 EGBERO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(CO)c1 ZINC000571003153 317137489 /nfs/dbraw/zinc/13/74/89/317137489.db2.gz VFUZWAURVGQLGT-ZDUSSCGKSA-N 1 0 339.395 3.462 10 5 EGBERO COCCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573107026 317438740 /nfs/dbraw/zinc/43/87/40/317438740.db2.gz QBUQGTKRFKJACJ-GOSISDBHSA-N 1 0 342.395 3.397 10 5 EGBERO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000379683018 324241197 /nfs/dbraw/zinc/24/11/97/324241197.db2.gz ZNVVETGJEYHKTJ-GDBMZVCRSA-N 1 0 326.400 3.455 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000579897869 325172311 /nfs/dbraw/zinc/17/23/11/325172311.db2.gz NVZYMLGVXOWPTH-RVDMUPIBSA-N 1 0 345.443 3.235 10 5 EGBERO C[NH+](C)[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1ccco1 ZINC000580068148 325198365 /nfs/dbraw/zinc/19/83/65/325198365.db2.gz XHEMITPMDDIFRI-OAHLLOKOSA-N 1 0 330.388 3.176 10 5 EGBERO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173340074 455268778 /nfs/dbraw/zinc/26/87/78/455268778.db2.gz UKZGUDBGTHPOKO-YJBOKZPZSA-N 1 0 327.428 3.418 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)o2)cc1 ZINC000600678302 460566388 /nfs/dbraw/zinc/56/63/88/460566388.db2.gz IEONJNQXESICJP-QGZVFWFLSA-N 1 0 327.384 3.229 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccco1)C1CC1 ZINC000058226062 454172852 /nfs/dbraw/zinc/17/28/52/454172852.db2.gz MWZCJUQINTXFNP-UHFFFAOYSA-N 1 0 343.383 3.489 10 5 EGBERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120661537 454331586 /nfs/dbraw/zinc/33/15/86/454331586.db2.gz RZOISLLEHDIHTK-AWEZNQCLSA-N 1 0 343.383 3.085 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000092105380 454525575 /nfs/dbraw/zinc/52/55/75/454525575.db2.gz QLDLBLFGZKCZNT-WBVHZDCISA-N 1 0 345.443 3.209 10 5 EGBERO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176690874 454771981 /nfs/dbraw/zinc/77/19/81/454771981.db2.gz FQCYQTSIGAXQPY-FRFSOERESA-N 1 0 348.447 3.170 10 5 EGBERO CC[N@@H+]1CC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323918 454923253 /nfs/dbraw/zinc/92/32/53/454923253.db2.gz VZNANTRHXJSTNN-ZDUSSCGKSA-N 1 0 346.456 3.150 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000129026199 455095316 /nfs/dbraw/zinc/09/53/16/455095316.db2.gz IPFGKPSIFPFOAE-PBHICJAKSA-N 1 0 339.395 3.359 10 5 EGBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000180158886 455141689 /nfs/dbraw/zinc/14/16/89/455141689.db2.gz SAZHFAFTOFTTFD-SJLPKXTDSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1[N+](=O)[O-] ZINC000180636906 455215161 /nfs/dbraw/zinc/21/51/61/455215161.db2.gz ABQTZXVLJULUDI-UKRRQHHQSA-N 1 0 343.431 3.284 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000181536138 455351249 /nfs/dbraw/zinc/35/12/49/455351249.db2.gz KBJQMTZRPCATQJ-NVXWUHKLSA-N 1 0 333.432 3.427 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000174012623 455351272 /nfs/dbraw/zinc/35/12/72/455351272.db2.gz HCXMBSIGOJIZAQ-QWHCGFSZSA-N 1 0 335.404 3.052 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997987 460670294 /nfs/dbraw/zinc/67/02/94/460670294.db2.gz PWUZUUCKHSWBJW-OAHLLOKOSA-N 1 0 345.443 3.007 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1F ZINC000182019422 455417012 /nfs/dbraw/zinc/41/70/12/455417012.db2.gz RRYVBOXYHRFGHH-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182176017 455454074 /nfs/dbraw/zinc/45/40/74/455454074.db2.gz GJDOGCZHMVETNE-YOEHRIQHSA-N 1 0 344.411 3.248 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000246771005 455523684 /nfs/dbraw/zinc/52/36/84/455523684.db2.gz AWZYODFVRNDCLI-HIFRSBDPSA-N 1 0 345.443 3.201 10 5 EGBERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185417821 455556610 /nfs/dbraw/zinc/55/66/10/455556610.db2.gz UROGJGAMENHTQS-LBPRGKRZSA-N 1 0 339.823 3.243 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247344593 455590455 /nfs/dbraw/zinc/59/04/55/455590455.db2.gz JIBMCQITKGOEJH-NHYWBVRUSA-N 1 0 339.823 3.051 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192712436 455676397 /nfs/dbraw/zinc/67/63/97/455676397.db2.gz KUOLTEKUNUKXDF-QZTJIDSGSA-N 1 0 342.395 3.304 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249538212 455761613 /nfs/dbraw/zinc/76/16/13/455761613.db2.gz DBVJXEYZADCVPP-ISTRZQFTSA-N 1 0 332.425 3.425 10 5 EGBERO Cc1cnn([C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000255336908 455865239 /nfs/dbraw/zinc/86/52/39/455865239.db2.gz QJMKQKITKURHMB-IMXKFXGHSA-N 1 0 326.400 3.450 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000270116507 455881383 /nfs/dbraw/zinc/88/13/83/455881383.db2.gz NUSLEGOYLGJBHH-NPMABZOXSA-N 1 0 332.425 3.491 10 5 EGBERO C[C@H]1C[C@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301411794 456110056 /nfs/dbraw/zinc/11/00/56/456110056.db2.gz KJXWKHSMLMCVCY-CMPLNLGQSA-N 1 0 342.237 3.276 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000271234632 456185479 /nfs/dbraw/zinc/18/54/79/456185479.db2.gz RRJKTOUFWCFXBA-AWEZNQCLSA-N 1 0 338.766 3.081 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000340153642 456284265 /nfs/dbraw/zinc/28/42/65/456284265.db2.gz TWRGAOCUXTVGML-OAHLLOKOSA-N 1 0 340.427 3.398 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000302190865 456312689 /nfs/dbraw/zinc/31/26/89/456312689.db2.gz VNYBOLVSQFGKAZ-BPQIPLTHSA-N 1 0 338.411 3.312 10 5 EGBERO C[C@H](CC[S@](C)=O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352849451 456362027 /nfs/dbraw/zinc/36/20/27/456362027.db2.gz PAKPXCOLHQGZHJ-NLWZSEAUSA-N 1 0 346.452 3.431 10 5 EGBERO Cc1cc(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000353091289 456483565 /nfs/dbraw/zinc/48/35/65/456483565.db2.gz WMPMEHJHWGMPEP-UHFFFAOYSA-N 1 0 344.396 3.347 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310076915 456579562 /nfs/dbraw/zinc/57/95/62/456579562.db2.gz GXNLKFLZXPIPDB-INIZCTEOSA-N 1 0 326.400 3.314 10 5 EGBERO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310891801 456584765 /nfs/dbraw/zinc/58/47/65/456584765.db2.gz ZENARDGNMOQOHN-IXDOHACOSA-N 1 0 338.411 3.312 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291718782 456731801 /nfs/dbraw/zinc/73/18/01/456731801.db2.gz IYQYXKGPSQLWGO-KRWDZBQOSA-N 1 0 337.395 3.363 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000348819248 456870128 /nfs/dbraw/zinc/87/01/28/456870128.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 1 0 331.416 3.450 10 5 EGBERO C[N@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000341801229 456949952 /nfs/dbraw/zinc/94/99/52/456949952.db2.gz UBPRNCLNDLGQMD-UHFFFAOYSA-N 1 0 335.433 3.276 10 5 EGBERO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349840627 457072994 /nfs/dbraw/zinc/07/29/94/457072994.db2.gz RPTJISRFPHIYSE-LJQANCHMSA-N 1 0 325.412 3.301 10 5 EGBERO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000339679471 457209335 /nfs/dbraw/zinc/20/93/35/457209335.db2.gz XQOSUAVMFKUDIE-UHFFFAOYSA-N 1 0 328.416 3.338 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000354533860 457274227 /nfs/dbraw/zinc/27/42/27/457274227.db2.gz LKXDKLULHRFXND-HOCLYGCPSA-N 1 0 333.432 3.345 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360921881 457434301 /nfs/dbraw/zinc/43/43/01/457434301.db2.gz XYOHQFDUJPCTNT-SUMWQHHRSA-N 1 0 327.384 3.123 10 5 EGBERO Cc1sc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000357896786 457726219 /nfs/dbraw/zinc/72/62/19/457726219.db2.gz GGSBVIZNNBPPKE-AWEZNQCLSA-N 1 0 339.461 3.205 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375399552 457914557 /nfs/dbraw/zinc/91/45/57/457914557.db2.gz CCRFVZRHCWOWGB-UJAVWCLSSA-N 1 0 340.383 3.358 10 5 EGBERO Cc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000375406504 457919119 /nfs/dbraw/zinc/91/91/19/457919119.db2.gz UKESIOIKKNEZSQ-AWEZNQCLSA-N 1 0 328.372 3.153 10 5 EGBERO Cc1c(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000375467268 457940438 /nfs/dbraw/zinc/94/04/38/457940438.db2.gz YAHQPAKOGNAOFS-AWEZNQCLSA-N 1 0 328.372 3.153 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1C ZINC000358398286 457978505 /nfs/dbraw/zinc/97/85/05/457978505.db2.gz MGTZHCXGIZGZIC-CYBMUJFWSA-N 1 0 335.404 3.197 10 5 EGBERO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526878 458081902 /nfs/dbraw/zinc/08/19/02/458081902.db2.gz YIQKDHZYMRZNAH-IRXDYDNUSA-N 1 0 348.447 3.170 10 5 EGBERO O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000447958891 458371634 /nfs/dbraw/zinc/37/16/34/458371634.db2.gz LCRMWEWNGGBQMZ-ZZXKWVIFSA-N 1 0 333.307 3.463 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000430200562 458419238 /nfs/dbraw/zinc/41/92/38/458419238.db2.gz AJCKDEPZICASOR-UGSOOPFHSA-N 1 0 336.432 3.270 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000430199690 458419451 /nfs/dbraw/zinc/41/94/51/458419451.db2.gz DKDRBACJPDWPJH-FZKQIMNGSA-N 1 0 342.395 3.427 10 5 EGBERO Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461946976 458581627 /nfs/dbraw/zinc/58/16/27/458581627.db2.gz HWLYPHTVBAGRDQ-QMTHXVAHSA-N 1 0 331.338 3.308 10 5 EGBERO Cc1ccnc([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000566429614 458929800 /nfs/dbraw/zinc/92/98/00/458929800.db2.gz XRFYZDYJNQQHIU-HNNXBMFYSA-N 1 0 327.384 3.167 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511157 459070053 /nfs/dbraw/zinc/07/00/53/459070053.db2.gz PPCQXVSNLBGXPA-KYKYKBOXSA-N 1 0 347.459 3.085 10 5 EGBERO CN1C[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@H]2C1 ZINC000590053202 459073268 /nfs/dbraw/zinc/07/32/68/459073268.db2.gz YGMMLOQUHDYHJU-DYVFJYSZSA-N 1 0 343.452 3.459 10 5 EGBERO Cn1c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc2ccccc21 ZINC000567272931 459077384 /nfs/dbraw/zinc/07/73/84/459077384.db2.gz UMWFKIUJIPQLEK-UHFFFAOYSA-N 1 0 349.394 3.295 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC3(CCCC3)O2)n1 ZINC000594521834 459078314 /nfs/dbraw/zinc/07/83/14/459078314.db2.gz UUCPRRCRGIDPLX-HRCADAONSA-N 1 0 348.447 3.356 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C34CCC4)o2)c1 ZINC000594988024 459206645 /nfs/dbraw/zinc/20/66/45/459206645.db2.gz NZXIVYNMNNXTKH-IRXDYDNUSA-N 1 0 328.368 3.248 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000595076021 459238893 /nfs/dbraw/zinc/23/88/93/459238893.db2.gz CPGDWUPTQKSMPY-CWLKWCNXSA-N 1 0 340.427 3.444 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(O)CC1 ZINC000595090477 459241805 /nfs/dbraw/zinc/24/18/05/459241805.db2.gz CVKKJQVUZKDENJ-LSCKAKRGSA-N 1 0 332.444 3.447 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cncc(C)n1 ZINC000595089286 459242014 /nfs/dbraw/zinc/24/20/14/459242014.db2.gz GTZSQZYCOCODAW-CQSZACIVSA-N 1 0 346.456 3.396 10 5 EGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCSCc1ccccc1)CC2 ZINC000560032056 459293932 /nfs/dbraw/zinc/29/39/32/459293932.db2.gz PYOBXAZQHWFSQU-UHFFFAOYSA-N 1 0 329.425 3.281 10 5 EGBERO CCC(C)(C)[C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595641233 459380384 /nfs/dbraw/zinc/38/03/84/459380384.db2.gz FZQADRKHZIZSDG-GFCCVEGCSA-N 1 0 335.404 3.307 10 5 EGBERO COc1cc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000595784584 459438697 /nfs/dbraw/zinc/43/86/97/459438697.db2.gz SENCVOWHPHWUGQ-KRWDZBQOSA-N 1 0 334.416 3.385 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](C[NH+]3CCCCC3)C1)CCCC2 ZINC000591914937 459482628 /nfs/dbraw/zinc/48/26/28/459482628.db2.gz LYVARWLCBQVBHN-HNNXBMFYSA-N 1 0 344.459 3.181 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1c1ccccc1 ZINC000485987749 459482889 /nfs/dbraw/zinc/48/28/89/459482889.db2.gz GRJAPWTVQNRJIP-DYVFJYSZSA-N 1 0 330.363 3.173 10 5 EGBERO COc1cc(NC2CC[NH+](C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596067484 459507073 /nfs/dbraw/zinc/50/70/73/459507073.db2.gz YHVYEUNETVGQCB-UHFFFAOYSA-N 1 0 325.796 3.296 10 5 EGBERO CCOc1cc(OCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000596072213 459508949 /nfs/dbraw/zinc/50/89/49/459508949.db2.gz ZTFWJQMSFBMZFK-UHFFFAOYSA-N 1 0 328.368 3.218 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc4c(n3)CCC4)c2c1 ZINC000569906185 459528087 /nfs/dbraw/zinc/52/80/87/459528087.db2.gz CHTMRCCPZLRKDT-UHFFFAOYSA-N 1 0 336.395 3.292 10 5 EGBERO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596125080 459529972 /nfs/dbraw/zinc/52/99/72/459529972.db2.gz ZFCOMOZCHBSZJJ-LBPRGKRZSA-N 1 0 339.823 3.321 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000593008204 459738049 /nfs/dbraw/zinc/73/80/49/459738049.db2.gz RGFWZOUNALOESL-UHFFFAOYSA-N 1 0 328.368 3.406 10 5 EGBERO CCC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000501806119 459746321 /nfs/dbraw/zinc/74/63/21/459746321.db2.gz QZJAWNMPSLMOQB-MAUKXSAKSA-N 1 0 335.448 3.089 10 5 EGBERO CCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](CC)C1 ZINC000596788318 459763102 /nfs/dbraw/zinc/76/31/02/459763102.db2.gz QGVDDULPHXSFMV-AWEZNQCLSA-N 1 0 334.420 3.160 10 5 EGBERO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C)(C)C ZINC000573962596 459763690 /nfs/dbraw/zinc/76/36/90/459763690.db2.gz KVEHSLZEBZCYBE-UHFFFAOYSA-N 1 0 348.428 3.387 10 5 EGBERO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071914 459764075 /nfs/dbraw/zinc/76/40/75/459764075.db2.gz WNSZDKRCTOGWLM-CYBMUJFWSA-N 1 0 343.221 3.358 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000584680063 459782857 /nfs/dbraw/zinc/78/28/57/459782857.db2.gz KEQATRISGXGOAD-CQSZACIVSA-N 1 0 331.372 3.445 10 5 EGBERO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593134999 459783867 /nfs/dbraw/zinc/78/38/67/459783867.db2.gz GVAFGJWYZJBXMZ-UHFFFAOYSA-N 1 0 342.827 3.348 10 5 EGBERO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000585754283 459842043 /nfs/dbraw/zinc/84/20/43/459842043.db2.gz FBFXBEAZECTSIP-QGZVFWFLSA-N 1 0 344.411 3.202 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000585793124 459849109 /nfs/dbraw/zinc/84/91/09/459849109.db2.gz CCRFVZRHCWOWGB-QTLSWZBMSA-N 1 0 340.383 3.358 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)o2)cc1 ZINC000597232785 459885982 /nfs/dbraw/zinc/88/59/82/459885982.db2.gz WKTCYQJTAZLFJT-GJZGRUSLSA-N 1 0 328.368 3.323 10 5 EGBERO C[N@@H+]1CCC[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000593464537 459897283 /nfs/dbraw/zinc/89/72/83/459897283.db2.gz KZQDHSCFUJVWBV-GUYCJALGSA-N 1 0 326.400 3.064 10 5 EGBERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593694660 459954852 /nfs/dbraw/zinc/95/48/52/459954852.db2.gz PJMMWNMAXGXLJZ-OAHLLOKOSA-N 1 0 347.802 3.114 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000593717108 459963078 /nfs/dbraw/zinc/96/30/78/459963078.db2.gz XVYDQXXVCBRFTM-KUHUBIRLSA-N 1 0 326.396 3.122 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588928677 460007074 /nfs/dbraw/zinc/00/70/74/460007074.db2.gz DQCXJSAMOWDTAU-OAHLLOKOSA-N 1 0 334.803 3.422 10 5 EGBERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccncc1 ZINC000618571588 460067383 /nfs/dbraw/zinc/06/73/83/460067383.db2.gz PSXVGEVZFGTUED-VNQPRFMTSA-N 1 0 329.404 3.063 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(Cl)c1 ZINC000598989490 460118909 /nfs/dbraw/zinc/11/89/09/460118909.db2.gz IYFVYRRNNSAUAL-INIZCTEOSA-N 1 0 332.787 3.479 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cs2)c1 ZINC000599007652 460125355 /nfs/dbraw/zinc/12/53/55/460125355.db2.gz RXYJQIJUMWMYLT-CJNGLKHVSA-N 1 0 345.424 3.375 10 5 EGBERO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599056764 460144485 /nfs/dbraw/zinc/14/44/85/460144485.db2.gz NMKUZNKMALLSBM-GWCFXTLKSA-N 1 0 328.294 3.246 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC(O)(C(F)(F)F)CC1 ZINC000599066316 460149405 /nfs/dbraw/zinc/14/94/05/460149405.db2.gz VAMQOVIVGGZXOK-UHFFFAOYSA-N 1 0 341.289 3.037 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000599083064 460155594 /nfs/dbraw/zinc/15/55/94/460155594.db2.gz NYVOAKDAFGDMQV-OAHLLOKOSA-N 1 0 341.367 3.281 10 5 EGBERO Cc1c([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cccc1[N+](=O)[O-] ZINC000599084842 460156479 /nfs/dbraw/zinc/15/64/79/460156479.db2.gz SFLKOHDMAVKRAJ-LBPRGKRZSA-N 1 0 341.367 3.199 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599085464 460156777 /nfs/dbraw/zinc/15/67/77/460156777.db2.gz ROFKWNPAAGPAOM-LKCYJCQHSA-N 1 0 330.428 3.463 10 5 EGBERO O=[N+]([O-])c1ccc(CN(Cc2cc(CO)ccc2F)C2CC2)cc1 ZINC000599338861 460231867 /nfs/dbraw/zinc/23/18/67/460231867.db2.gz IBCXGZHPMPSNIV-UHFFFAOYSA-N 1 0 330.359 3.391 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000611616759 460415237 /nfs/dbraw/zinc/41/52/37/460415237.db2.gz DOGNOVNGQANFHU-KRWDZBQOSA-N 1 0 340.427 3.317 10 5 EGBERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000604540748 460443782 /nfs/dbraw/zinc/44/37/82/460443782.db2.gz ORBSQFOFEUFKPQ-HNNXBMFYSA-N 1 0 342.395 3.406 10 5 EGBERO Cc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601152170 460733948 /nfs/dbraw/zinc/73/39/48/460733948.db2.gz BLLBQNAGFMWUTF-GOSISDBHSA-N 1 0 332.375 3.126 10 5 EGBERO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187770018 528058839 /nfs/dbraw/zinc/05/88/39/528058839.db2.gz CYSRXJVFCKSRTI-UKRRQHHQSA-N 1 0 333.432 3.273 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730788333 575020287 /nfs/dbraw/zinc/02/02/87/575020287.db2.gz ZIUYSTZHTBVNJT-VXGBXAGGSA-N 1 0 339.823 3.241 10 5 EGBERO O=[N+]([O-])c1ccc(NC(=S)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000730734903 575014082 /nfs/dbraw/zinc/01/40/82/575014082.db2.gz FMHNXXZPFMHHHN-MRXNPFEDSA-N 1 0 348.472 3.242 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735221429 575618314 /nfs/dbraw/zinc/61/83/14/575618314.db2.gz NTBALPQSRBEZCO-KRWDZBQOSA-N 1 0 340.379 3.335 10 5 EGBERO Cc1cc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352881487 576111823 /nfs/dbraw/zinc/11/18/23/576111823.db2.gz DHWHPZAEFQXMHB-KBPBESRZSA-N 1 0 334.420 3.288 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000870570694 1295948341 /nfs/dbraw/zinc/94/83/41/1295948341.db2.gz QUSYXPYLCOSQBM-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO Cc1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000870962765 1296157251 /nfs/dbraw/zinc/15/72/51/1296157251.db2.gz QCLDPWLICNHUAA-KRWDZBQOSA-N 1 0 341.411 3.246 10 5 EGBERO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871158188 1296246758 /nfs/dbraw/zinc/24/67/58/1296246758.db2.gz RAYYSDSTECHATD-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872041708 1296692468 /nfs/dbraw/zinc/69/24/68/1296692468.db2.gz KIFFANMMJFYSNL-CMUWAASVSA-N 1 0 342.436 3.464 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049233 1296700188 /nfs/dbraw/zinc/70/01/88/1296700188.db2.gz RBIZQJLJFYPPLZ-CHWSQXEVSA-N 1 0 338.379 3.113 10 5 EGBERO Cc1cc(N2CCC([NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000872063898 1296710083 /nfs/dbraw/zinc/71/00/83/1296710083.db2.gz AAUPCOBNLQMIPI-GFCCVEGCSA-N 1 0 347.394 3.085 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncc(Cl)s2)n1 ZINC000872114883 1296742122 /nfs/dbraw/zinc/74/21/22/1296742122.db2.gz DDNRMRKSXWXMGB-UWVGGRQHSA-N 1 0 341.824 3.175 10 5 EGBERO Cc1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000872231629 1296833173 /nfs/dbraw/zinc/83/31/73/1296833173.db2.gz OFHMDBPZPULWKL-UHFFFAOYSA-N 1 0 345.374 3.469 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000878660383 1300131643 /nfs/dbraw/zinc/13/16/43/1300131643.db2.gz TXCPIBIDACICSQ-WMLDXEAASA-N 1 0 334.416 3.221 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000889310747 1304442877 /nfs/dbraw/zinc/44/28/77/1304442877.db2.gz UEBWDVMNRSTVKZ-CVEARBPZSA-N 1 0 345.443 3.299 10 5 EGBERO C[C@H](C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000893015809 1305659540 /nfs/dbraw/zinc/65/95/40/1305659540.db2.gz UCRHBYBMFLWQBC-ZOBUZTSGSA-N 1 0 347.459 3.420 10 5 EGBERO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2[N+](=O)[O-])c2ccccn2)CC1 ZINC000895111001 1309195462 /nfs/dbraw/zinc/19/54/62/1309195462.db2.gz HIVPPKGMJDWROS-WKILWMFISA-N 1 0 326.400 3.266 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000895611028 1309427491 /nfs/dbraw/zinc/42/74/91/1309427491.db2.gz OLLDFDLGTVQCDE-XCBNKYQSSA-N 1 0 335.148 3.491 10 5 EGBERO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3c4ccccc4CC[C@@H]3F)C2)c1 ZINC000895693120 1309470020 /nfs/dbraw/zinc/47/00/20/1309470020.db2.gz YMTYMPQGJUWJRE-SMELUJQZSA-N 1 0 330.363 3.110 10 5 EGBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776449 1309514309 /nfs/dbraw/zinc/51/43/09/1309514309.db2.gz DQSBJZRGDOQSNF-PHIMTYICSA-N 1 0 332.347 3.408 10 5 EGBERO CC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCCCC1 ZINC000917613091 1319849691 /nfs/dbraw/zinc/84/96/91/1319849691.db2.gz IEGUXYRYPDUYNL-UHFFFAOYSA-N 1 0 331.214 3.166 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CCN(Cc3ccnc(F)c3)CC2)cc1 ZINC000859149845 1328932767 /nfs/dbraw/zinc/93/27/67/1328932767.db2.gz KNTHCKIFZIYJFE-UHFFFAOYSA-N 1 0 331.347 3.172 10 5 EGBERO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859152276 1328932667 /nfs/dbraw/zinc/93/26/67/1328932667.db2.gz RGMOFKXDFKFNEC-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)c2c1 ZINC000922134676 1322463030 /nfs/dbraw/zinc/46/30/30/1322463030.db2.gz QUOULCRDIFOXKY-FVQBIDKESA-N 1 0 343.427 3.413 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922461260 1322533372 /nfs/dbraw/zinc/53/33/72/1322533372.db2.gz KQVXKCZHTHMLHF-OCCSQVGLSA-N 1 0 348.321 3.193 10 5 EGBERO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000923262324 1322722031 /nfs/dbraw/zinc/72/20/31/1322722031.db2.gz USHMXKAWLZTPQH-LSDHHAIUSA-N 1 0 339.395 3.057 10 5 EGBERO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000931562734 1329144867 /nfs/dbraw/zinc/14/48/67/1329144867.db2.gz HXGNOYLFWYPTLT-KGLIPLIRSA-N 1 0 341.205 3.159 10 5 EGBERO C[C@@H]1C[NH2+]C[C@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925785261 1325300734 /nfs/dbraw/zinc/30/07/34/1325300734.db2.gz MKBRIMBWFIAZCU-DKSSEZFCSA-N 1 0 325.412 3.129 10 5 EGBERO Cc1cc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1C ZINC000926908678 1327769023 /nfs/dbraw/zinc/76/90/23/1327769023.db2.gz BHMBESZQVIEEQH-KRWDZBQOSA-N 1 0 328.416 3.191 10 5 EGBERO CN(C)[C@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000926959560 1327797255 /nfs/dbraw/zinc/79/72/55/1327797255.db2.gz BZSHXDSBKQSPIQ-LSDHHAIUSA-N 1 0 345.365 3.444 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC3(CCC3)O2)n1 ZINC000927010505 1327818719 /nfs/dbraw/zinc/81/87/19/1327818719.db2.gz LJVQAMIUVFRQIW-ARFHVFGLSA-N 1 0 348.447 3.356 10 5 EGBERO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC000927032771 1327825928 /nfs/dbraw/zinc/82/59/28/1327825928.db2.gz PJWRLQMCJCSYDE-DZGCQCFKSA-N 1 0 335.473 3.437 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCC3(CCC3)O2)n1 ZINC000927130992 1327883410 /nfs/dbraw/zinc/88/34/10/1327883410.db2.gz TZJOTPCWKAEUJR-ARFHVFGLSA-N 1 0 348.447 3.356 10 5 EGBERO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927158078 1327898781 /nfs/dbraw/zinc/89/87/81/1327898781.db2.gz YEQGMSCYZKMJLU-ZUEVXXBESA-N 1 0 344.386 3.477 10 5 EGBERO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861193343 1329395931 /nfs/dbraw/zinc/39/59/31/1329395931.db2.gz NRXAXZIOLTYKCP-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861756523 1329439899 /nfs/dbraw/zinc/43/98/99/1329439899.db2.gz BQDRLIXSXCMYKX-ZDUSSCGKSA-N 1 0 329.400 3.207 10 5 EGBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865750778 1329734840 /nfs/dbraw/zinc/73/48/40/1329734840.db2.gz WLDUVBQITYVDDV-NSHDSACASA-N 1 0 331.363 3.037 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000866132141 1330068669 /nfs/dbraw/zinc/06/86/69/1330068669.db2.gz AUZQNYNVIMXVST-UHFFFAOYSA-N 1 0 338.383 3.118 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000866383070 1330104210 /nfs/dbraw/zinc/10/42/10/1330104210.db2.gz DSCOHXXYEKCBOR-KZULUSFZSA-N 1 0 336.407 3.460 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000866392983 1330105785 /nfs/dbraw/zinc/10/57/85/1330105785.db2.gz KCKMTOVQNKPBGJ-FHSNZYRGSA-N 1 0 332.375 3.377 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1c(C2CCC2)cnn1C ZINC000866393115 1330106047 /nfs/dbraw/zinc/10/60/47/1330106047.db2.gz MTOCVPFLDDKOMV-LBPRGKRZSA-N 1 0 346.406 3.456 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] ZINC000866447149 1330113486 /nfs/dbraw/zinc/11/34/86/1330113486.db2.gz ZJIGHWRDXXEFQR-MWDSVXIZSA-N 1 0 332.400 3.068 10 5 EGBERO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001185158072 1387629042 /nfs/dbraw/zinc/62/90/42/1387629042.db2.gz KZCKXNXLXYYNFF-GFCCVEGCSA-N 1 0 331.420 3.394 10 5 EGBERO C[N@H+](Cc1ccccc1)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC001186203290 1387896145 /nfs/dbraw/zinc/89/61/45/1387896145.db2.gz NVFYFXXZXUBGBO-KRWDZBQOSA-N 1 0 344.390 3.451 10 5 EGBERO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001193703337 1368099603 /nfs/dbraw/zinc/09/96/03/1368099603.db2.gz FJAGZIOKLMVQDV-GFCCVEGCSA-N 1 0 326.805 3.441 10 5 EGBERO CCN(CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC001193743094 1368105567 /nfs/dbraw/zinc/10/55/67/1368105567.db2.gz JGUADOGKIHCKMD-UHFFFAOYSA-N 1 0 347.381 3.343 10 5 EGBERO O=C(C[N@@H+]1CC[C@H](C2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195148156 1368388265 /nfs/dbraw/zinc/38/82/65/1368388265.db2.gz RUQQBMNRLUOCIQ-LBPRGKRZSA-N 1 0 337.807 3.309 10 5 EGBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(Cc2ccccc2)CCCC1 ZINC001197564462 1368840862 /nfs/dbraw/zinc/84/08/62/1368840862.db2.gz JWILSJHCAITVCK-UHFFFAOYSA-N 1 0 328.416 3.279 10 5 EGBERO Cc1c(C[N@H+](C)CCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC001197827911 1368908105 /nfs/dbraw/zinc/90/81/05/1368908105.db2.gz ZFWHTSVPCAWAQB-UHFFFAOYSA-N 1 0 328.368 3.306 10 5 EGBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001198621036 1369075840 /nfs/dbraw/zinc/07/58/40/1369075840.db2.gz HDKPRCJEHLYTOB-AEFFLSMTSA-N 1 0 347.459 3.168 10 5 EGBERO CN(CCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Br ZINC001187495877 1388117202 /nfs/dbraw/zinc/11/72/02/1388117202.db2.gz AXKVILNYJOJFGI-UHFFFAOYSA-N 1 0 330.226 3.135 10 5 EGBERO O=C(Nc1ccc(-n2ccnc2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001124772546 1372729359 /nfs/dbraw/zinc/72/93/59/1372729359.db2.gz NVLBPBUHOGFCFL-UHFFFAOYSA-N 1 0 326.287 3.172 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001137114664 1377481148 /nfs/dbraw/zinc/48/11/48/1377481148.db2.gz OUZLGEUXINHLPT-SJLPKXTDSA-N 1 0 347.459 3.154 10 5 EGBERO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001141547225 1378342440 /nfs/dbraw/zinc/34/24/40/1378342440.db2.gz ZLLKBKGPJZUSHG-INIZCTEOSA-N 1 0 333.432 3.144 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001144034605 1378673426 /nfs/dbraw/zinc/67/34/26/1378673426.db2.gz IFQIIKAXOOXICT-MRXNPFEDSA-N 1 0 333.432 3.014 10 5 EGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001287942149 1381431170 /nfs/dbraw/zinc/43/11/70/1381431170.db2.gz GJKBYTGFDVXJCD-QGZVFWFLSA-N 1 0 331.416 3.122 10 5 EGBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001298190596 1383380495 /nfs/dbraw/zinc/38/04/95/1383380495.db2.gz AATRLKGAVMMAAJ-DYVFJYSZSA-N 1 0 346.431 3.371 10 5 EGBERO CCO[C@@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001167665244 1383705060 /nfs/dbraw/zinc/70/50/60/1383705060.db2.gz ZDIDKFFHNLLNBB-DLBZAZTESA-N 1 0 334.416 3.253 10 5 EGBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001306932873 1383922316 /nfs/dbraw/zinc/92/23/16/1383922316.db2.gz PSGNFOMWHUJUPS-KBPBESRZSA-N 1 0 346.818 3.257 10 5 EGBERO CCc1nn(C)c(NCC[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC001307105470 1383941066 /nfs/dbraw/zinc/94/10/66/1383941066.db2.gz PSGAPMPWGLNCEH-UHFFFAOYSA-N 1 0 349.479 3.349 10 5 EGBERO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670345 1384010974 /nfs/dbraw/zinc/01/09/74/1384010974.db2.gz RAHOISPNNNOVNE-UKRRQHHQSA-N 1 0 335.423 3.477 10 5 EGBERO C/C=C/C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001307973855 1384066448 /nfs/dbraw/zinc/06/64/48/1384066448.db2.gz JNFBSZWYPILHOU-XYBNCVKDSA-N 1 0 343.427 3.162 10 5 EGBERO COC(=O)C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC001308105933 1384093827 /nfs/dbraw/zinc/09/38/27/1384093827.db2.gz ISXHEOONHROSMP-ZDUSSCGKSA-N 1 0 328.796 3.316 10 5 EGBERO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001308155458 1384102081 /nfs/dbraw/zinc/10/20/81/1384102081.db2.gz DNAQMJCSPLVSKD-ATNYBXOESA-N 1 0 348.443 3.435 10 5 EGBERO C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC001170072487 1384229324 /nfs/dbraw/zinc/22/93/24/1384229324.db2.gz BEKVMNJSGQIJTR-GOSISDBHSA-N 1 0 343.402 3.093 10 5 EGBERO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001316620334 1384486071 /nfs/dbraw/zinc/48/60/71/1384486071.db2.gz CGPHCIIKWOLIJH-FZNQNYSPSA-N 1 0 345.443 3.015 10 5 EGBERO CCCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001316636016 1384497408 /nfs/dbraw/zinc/49/74/08/1384497408.db2.gz ZFZURSRGIDLFNR-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO O=C(C[N@@H+]1CCCC[C@@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171751748 1384626080 /nfs/dbraw/zinc/62/60/80/1384626080.db2.gz OEJXKTHPBMIMQA-QGZVFWFLSA-N 1 0 343.427 3.139 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001317115961 1384876407 /nfs/dbraw/zinc/87/64/07/1384876407.db2.gz AGRWAGBSYLUNBZ-OKILXGFUSA-N 1 0 337.445 3.140 10 5 EGBERO CCn1nc(C)c(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC001175128056 1385199365 /nfs/dbraw/zinc/19/93/65/1385199365.db2.gz HVKGLQSWHZMZAM-UHFFFAOYSA-N 1 0 346.431 3.329 10 5 EGBERO C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001175613174 1385351106 /nfs/dbraw/zinc/35/11/06/1385351106.db2.gz WBWAAMZBFVSIMU-SFHVURJKSA-N 1 0 325.368 3.242 10 5 EGBERO C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001175613173 1385351132 /nfs/dbraw/zinc/35/11/32/1385351132.db2.gz WBWAAMZBFVSIMU-GOSISDBHSA-N 1 0 325.368 3.242 10 5 EGBERO CCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001176027643 1385465010 /nfs/dbraw/zinc/46/50/10/1385465010.db2.gz AQYKLWIBOYEDME-CYBMUJFWSA-N 1 0 327.384 3.447 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)cc1[N+](=O)[O-] ZINC001331971045 1389929233 /nfs/dbraw/zinc/92/92/33/1389929233.db2.gz JBUQRAUQWFLKEC-XGWLTEMNSA-N 1 0 329.404 3.014 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccoc1 ZINC001698793323 1406458996 /nfs/dbraw/zinc/45/89/96/1406458996.db2.gz HAHUJWVCNJJUTO-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001350450641 1391466476 /nfs/dbraw/zinc/46/64/76/1391466476.db2.gz CBGGNKUPFRRBPY-UONOGXRCSA-N 1 0 333.432 3.204 10 5 EGBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001485693989 1396104280 /nfs/dbraw/zinc/10/42/80/1396104280.db2.gz UMXAEKQTJZPIBF-ROKLCEQDSA-N 1 0 349.456 3.163 10 5 EGBERO CC[N@H+](CCNC(=O)C1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001492906302 1396328776 /nfs/dbraw/zinc/32/87/76/1396328776.db2.gz CORBEQPXCZILBP-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1cscc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001699649626 1413031830 /nfs/dbraw/zinc/03/18/30/1413031830.db2.gz SOKXNUNAIOGGMY-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO CC(C)=CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001700458565 1414054391 /nfs/dbraw/zinc/05/43/91/1414054391.db2.gz SOAHNDCNJBGODZ-UHFFFAOYSA-N 1 0 333.432 3.135 10 5 EGBERO CC[N@H+](CCNC(=O)c1cccc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713479778 1418165012 /nfs/dbraw/zinc/16/50/12/1418165012.db2.gz AZARAHRRCMXCEP-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001733140179 1429259404 /nfs/dbraw/zinc/25/94/04/1429259404.db2.gz HFQYDQJQBAXAIB-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO Cc1scc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001714711705 1419480859 /nfs/dbraw/zinc/48/08/59/1419480859.db2.gz GVGRUKADUYUQCM-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)co1 ZINC001717206348 1421177175 /nfs/dbraw/zinc/17/71/75/1421177175.db2.gz HKTPDPPVXBIOTM-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001717646768 1421548718 /nfs/dbraw/zinc/54/87/18/1421548718.db2.gz JECFWLDEWJPTKJ-UCBXAUILSA-N 1 0 343.427 3.102 10 5 EGBERO CC/C=C(/C)C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733354968 1429535225 /nfs/dbraw/zinc/53/52/25/1429535225.db2.gz GOQIJTQIFTWMMF-WCSRMQSCSA-N 1 0 345.443 3.422 10 5 EGBERO O=C(C=C1CCCCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001723498733 1424441727 /nfs/dbraw/zinc/44/17/27/1424441727.db2.gz HVZSFGXJXRRSAV-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)C ZINC001724847594 1425202616 /nfs/dbraw/zinc/20/26/16/1425202616.db2.gz WKXOLUSJDRVELV-UHFFFAOYSA-N 1 0 335.448 3.311 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/C(C)(C)C ZINC001724848787 1425207628 /nfs/dbraw/zinc/20/76/28/1425207628.db2.gz RRWRNISRKRVQQJ-ZHACJKMWSA-N 1 0 347.459 3.477 10 5 EGBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C(C)C)CC1 ZINC001724882219 1425262644 /nfs/dbraw/zinc/26/26/44/1425262644.db2.gz BLDNJJMNYWYTLW-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO O=C(CC1CCC1)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001725811290 1426488961 /nfs/dbraw/zinc/48/89/61/1426488961.db2.gz CLIJJLQBFPQLEC-UHFFFAOYSA-N 1 0 343.427 3.033 10 5 EGBERO CC[N@H+](CCCNC(=O)c1occc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001731299895 1427242345 /nfs/dbraw/zinc/24/23/45/1427242345.db2.gz JWUGOGYMRRCCTM-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103095644 219254807 /nfs/dbraw/zinc/25/48/07/219254807.db2.gz SGRVHKOPODFJTL-MRXNPFEDSA-N 1 0 345.443 3.323 10 5 EGBERO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000180881073 234018821 /nfs/dbraw/zinc/01/88/21/234018821.db2.gz XXPSXHBYJSXICS-CYBMUJFWSA-N 1 0 346.383 3.342 10 5 EGBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1nc2ccccc2s1 ZINC000090538505 299301417 /nfs/dbraw/zinc/30/14/17/299301417.db2.gz BMXXJLWTEAYWJP-RYUDHWBXSA-N 1 0 345.428 3.183 10 5 EGBERO Cc1ccc([C@@H](C)OC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000192692857 239840177 /nfs/dbraw/zinc/84/01/77/239840177.db2.gz GGXFFVVNHXDNFN-CYBMUJFWSA-N 1 0 332.400 3.382 10 5 EGBERO C[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645063 218238415 /nfs/dbraw/zinc/23/84/15/218238415.db2.gz KIJXKTNRIOVRMC-DGCLKSJQSA-N 1 0 343.374 3.111 10 5 EGBERO CCOC(=O)[C@H]1CCC[C@@H]1[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095457020 218399828 /nfs/dbraw/zinc/39/98/28/218399828.db2.gz QFRVEVKHKCAMSG-IRXDYDNUSA-N 1 0 332.400 3.291 10 5 EGBERO CC[C@H](NC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268283 141188438 /nfs/dbraw/zinc/18/84/38/141188438.db2.gz FBRAEPMJUCTCPU-ZQIUZPCESA-N 1 0 348.447 3.170 10 5 EGBERO COc1cc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925197 141218237 /nfs/dbraw/zinc/21/82/37/141218237.db2.gz GSLDTBJJIAQUNC-GDBMZVCRSA-N 1 0 347.459 3.346 10 5 EGBERO COc1cc(C[NH2+][C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000353105672 142651330 /nfs/dbraw/zinc/65/13/30/142651330.db2.gz BOEJJJHLLUZRBP-KOLCDFICSA-N 1 0 348.321 3.433 10 5 EGBERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185435908 144112455 /nfs/dbraw/zinc/11/24/55/144112455.db2.gz ICCHINBNXWHHOM-LBPRGKRZSA-N 1 0 339.823 3.243 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000191403455 153192856 /nfs/dbraw/zinc/19/28/56/153192856.db2.gz ZLOKNPYGSJKWEU-UHFFFAOYSA-N 1 0 346.431 3.304 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195340528 153396922 /nfs/dbraw/zinc/39/69/22/153396922.db2.gz SWPNRWQLHVISHB-ZDUSSCGKSA-N 1 0 333.413 3.310 10 5 EGBERO CS[C@H](CO)[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807794 154129845 /nfs/dbraw/zinc/12/98/45/154129845.db2.gz GVMGTTQSRAHUTJ-FSPWUOQZSA-N 1 0 346.452 3.386 10 5 EGBERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000336876879 154227549 /nfs/dbraw/zinc/22/75/49/154227549.db2.gz VQAVMHQTMVFSEC-AWEZNQCLSA-N 1 0 326.400 3.309 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000343867416 164053568 /nfs/dbraw/zinc/05/35/68/164053568.db2.gz JXAPNNZDVHNWOW-ZDUSSCGKSA-N 1 0 335.404 3.058 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000345899385 164290975 /nfs/dbraw/zinc/29/09/75/164290975.db2.gz FLBWKVYDBFQDGA-UHFFFAOYSA-N 1 0 347.459 3.250 10 5 EGBERO CN(C(=O)C[NH+]1CCC(C)(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352200181 165280525 /nfs/dbraw/zinc/28/05/25/165280525.db2.gz IZJGAYGNLCAIRP-UHFFFAOYSA-N 1 0 331.416 3.070 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355739909 166293958 /nfs/dbraw/zinc/29/39/58/166293958.db2.gz JPZAZTKBINZAOT-MGPQQGTHSA-N 1 0 349.431 3.298 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359538909 167184535 /nfs/dbraw/zinc/18/45/35/167184535.db2.gz BDOLCLLMRBRHNB-LBTNJELSSA-N 1 0 331.416 3.434 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000184786667 265475250 /nfs/dbraw/zinc/47/52/50/265475250.db2.gz WXPWEFXOESAZJU-ZBFHGGJFSA-N 1 0 335.448 3.010 10 5 EGBERO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000269659439 266335582 /nfs/dbraw/zinc/33/55/82/266335582.db2.gz PSWHASQTEACDDE-NIKGAXFTSA-N 1 0 342.395 3.090 10 5 EGBERO CN1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000352093577 273924234 /nfs/dbraw/zinc/92/42/34/273924234.db2.gz RJOXSCJKBAGEEI-RBUKOAKNSA-N 1 0 341.411 3.009 10 5 EGBERO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000269389684 274096981 /nfs/dbraw/zinc/09/69/81/274096981.db2.gz CEMPRYVVFQZFBH-SWLSCSKDSA-N 1 0 349.406 3.196 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000359080735 274686470 /nfs/dbraw/zinc/68/64/70/274686470.db2.gz HOIIJARHISGTEA-UHFFFAOYSA-N 1 0 346.456 3.033 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000156824952 275035467 /nfs/dbraw/zinc/03/54/67/275035467.db2.gz AXXZVUGDXINGKE-CQSZACIVSA-N 1 0 330.306 3.226 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368099887 275040112 /nfs/dbraw/zinc/04/01/12/275040112.db2.gz GLLZTABQGDMERI-NUEKZKHPSA-N 1 0 340.427 3.176 10 5 EGBERO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286868059 276052028 /nfs/dbraw/zinc/05/20/28/276052028.db2.gz HQFAVWQKOOKVDP-LBPRGKRZSA-N 1 0 347.419 3.166 10 5 EGBERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000060333645 307350844 /nfs/dbraw/zinc/35/08/44/307350844.db2.gz BNCAEOIBPBOWJX-HNNXBMFYSA-N 1 0 342.395 3.406 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)C(F)F ZINC000295028603 308283269 /nfs/dbraw/zinc/28/32/69/308283269.db2.gz LKQMYDCEYIBQGZ-UKRRQHHQSA-N 1 0 340.326 3.349 10 5 EGBERO COc1cc(N2CCC(C[NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301976374 308723780 /nfs/dbraw/zinc/72/37/80/308723780.db2.gz WDRSUOVODBJCCL-UHFFFAOYSA-N 1 0 337.395 3.055 10 5 EGBERO COc1cc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000302137868 308730437 /nfs/dbraw/zinc/73/04/37/308730437.db2.gz IISLRLQDWBEROZ-LBPRGKRZSA-N 1 0 325.384 3.419 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420388551 309285812 /nfs/dbraw/zinc/28/58/12/309285812.db2.gz LGKQPUUEJSIRTE-OCBCSQNSSA-N 1 0 329.375 3.222 10 5 EGBERO CC[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421378485 309321725 /nfs/dbraw/zinc/32/17/25/309321725.db2.gz IGBPFCJUEISZPM-NVXWUHKLSA-N 1 0 344.415 3.043 10 5 EGBERO CCc1ccc([C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389709 309398236 /nfs/dbraw/zinc/39/82/36/309398236.db2.gz JNSWHOVDVYKCDU-BOFPYLFWSA-N 1 0 343.427 3.427 10 5 EGBERO COC1CCC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588474 309983486 /nfs/dbraw/zinc/98/34/86/309983486.db2.gz VAJCKANEYHDWNC-SSHXOBKSSA-N 1 0 336.436 3.070 10 5 EGBERO C[C@@]12C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448566 310062747 /nfs/dbraw/zinc/06/27/47/310062747.db2.gz IFLQXCYFPAABKQ-VWRIWDLUSA-N 1 0 342.395 3.105 10 5 EGBERO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000450207148 310108646 /nfs/dbraw/zinc/10/86/46/310108646.db2.gz BPOMKCJCPQCZAB-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000450361526 310117781 /nfs/dbraw/zinc/11/77/81/310117781.db2.gz FQSVPJXWKZYXMK-QGZVFWFLSA-N 1 0 340.427 3.338 10 5 EGBERO Cc1cc(NCC2(CF)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450731964 310139786 /nfs/dbraw/zinc/13/97/86/310139786.db2.gz CDJBLYFJLSJLLJ-UHFFFAOYSA-N 1 0 333.363 3.052 10 5 EGBERO CC[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459383934 310548906 /nfs/dbraw/zinc/54/89/06/310548906.db2.gz HESUQAWTSIYSTO-OAHLLOKOSA-N 1 0 328.372 3.209 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000460356729 310582523 /nfs/dbraw/zinc/58/25/23/310582523.db2.gz PBAVUFDVADJTAZ-CABCVRRESA-N 1 0 349.431 3.346 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000487718756 311035207 /nfs/dbraw/zinc/03/52/07/311035207.db2.gz FPWCMGUGUHEQAR-LSDHHAIUSA-N 1 0 348.447 3.138 10 5 EGBERO CCOc1cc(C[NH2+][C@@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000492898585 311304438 /nfs/dbraw/zinc/30/44/38/311304438.db2.gz YXGJDRGUSTUAND-ZDUSSCGKSA-N 1 0 336.413 3.187 10 5 EGBERO Cn1cnc2cc(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc21 ZINC000518249962 312409205 /nfs/dbraw/zinc/40/92/05/312409205.db2.gz KYDNFXASIWPZLL-UHFFFAOYSA-N 1 0 349.394 3.295 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000530439752 313535539 /nfs/dbraw/zinc/53/55/39/313535539.db2.gz XFPVYLPCLKAZAS-ZTFGCOKTSA-N 1 0 334.416 3.159 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000536842663 314149374 /nfs/dbraw/zinc/14/93/74/314149374.db2.gz ADLCAMCNYHDQGP-YPMHNXCESA-N 1 0 341.358 3.479 10 5 EGBERO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537075204 314159681 /nfs/dbraw/zinc/15/96/81/314159681.db2.gz KKBVCUBTVTVLQQ-OLZOCXBDSA-N 1 0 345.374 3.262 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC([NH+]2CCCCC2)C1 ZINC000553543742 315269432 /nfs/dbraw/zinc/26/94/32/315269432.db2.gz NBUJDJCERFPZLB-UHFFFAOYSA-N 1 0 347.415 3.119 10 5 EGBERO Cc1c(CN(C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cnn1C ZINC000555462776 315385375 /nfs/dbraw/zinc/38/53/75/315385375.db2.gz OBRAOCWDHIUVIL-UHFFFAOYSA-N 1 0 342.321 3.288 10 5 EGBERO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564125393 316115777 /nfs/dbraw/zinc/11/57/77/316115777.db2.gz WQUVMTQSINCSSG-INIZCTEOSA-N 1 0 339.399 3.019 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H](O)CC3CCCC3)c2c1 ZINC000564868915 316222818 /nfs/dbraw/zinc/22/28/18/316222818.db2.gz KNOFRYXHCCNNQB-MRXNPFEDSA-N 1 0 331.416 3.149 10 5 EGBERO CO[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000576438773 324613519 /nfs/dbraw/zinc/61/35/19/324613519.db2.gz UDFLZSFOBKWHNE-IAGOWNOFSA-N 1 0 329.400 3.166 10 5 EGBERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000428503457 458159113 /nfs/dbraw/zinc/15/91/13/458159113.db2.gz MFTIPBOQPJIXQX-LBPRGKRZSA-N 1 0 341.839 3.407 10 5 EGBERO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025501102 453774623 /nfs/dbraw/zinc/77/46/23/453774623.db2.gz DTORSLMVAAOCQQ-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO CCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029928006 453832810 /nfs/dbraw/zinc/83/28/10/453832810.db2.gz SYYGPKHEIOZLEP-CQSZACIVSA-N 1 0 333.432 3.284 10 5 EGBERO Cc1sc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000045203239 454145531 /nfs/dbraw/zinc/14/55/31/454145531.db2.gz AXHPAIAWDHBGPH-UHFFFAOYSA-N 1 0 347.440 3.169 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000058161323 454167113 /nfs/dbraw/zinc/16/71/13/454167113.db2.gz XKLGQXPEZFHQRI-RCFWFJCLSA-N 1 0 334.322 3.209 10 5 EGBERO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908027 454231941 /nfs/dbraw/zinc/23/19/41/454231941.db2.gz QKPOGSJDFQUVAQ-DYVFJYSZSA-N 1 0 344.415 3.164 10 5 EGBERO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000095946714 454235514 /nfs/dbraw/zinc/23/55/14/454235514.db2.gz KFZNNOWFDPYXDU-SJCJKPOMSA-N 1 0 325.368 3.199 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000132066319 454310266 /nfs/dbraw/zinc/31/02/66/454310266.db2.gz XBCYPKBVUKDAFX-GJZGRUSLSA-N 1 0 334.416 3.173 10 5 EGBERO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090687984 454336258 /nfs/dbraw/zinc/33/62/58/454336258.db2.gz FQCYQTSIGAXQPY-KMFMINBZSA-N 1 0 348.447 3.170 10 5 EGBERO Cc1ncc(CN2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000106090722 454678044 /nfs/dbraw/zinc/67/80/44/454678044.db2.gz VPGFHSMQWKRJJJ-CYBMUJFWSA-N 1 0 346.456 3.239 10 5 EGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000106206371 454684067 /nfs/dbraw/zinc/68/40/67/454684067.db2.gz UKDZKEYNDNYRSD-QGZVFWFLSA-N 1 0 344.415 3.161 10 5 EGBERO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690603 454772067 /nfs/dbraw/zinc/77/20/67/454772067.db2.gz NMMUTMWSPIDJGX-SJORKVTESA-N 1 0 348.447 3.172 10 5 EGBERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166594100 454913874 /nfs/dbraw/zinc/91/38/74/454913874.db2.gz UYPVFJSTCOHEFK-CRAIPNDOSA-N 1 0 343.431 3.038 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000113227730 454917863 /nfs/dbraw/zinc/91/78/63/454917863.db2.gz AWZYODFVRNDCLI-UKRRQHHQSA-N 1 0 345.443 3.201 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000128058144 455021890 /nfs/dbraw/zinc/02/18/90/455021890.db2.gz WNRBDURNZOWNEC-AWEZNQCLSA-N 1 0 346.383 3.474 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cccc1[N+](=O)[O-] ZINC000180639285 455215430 /nfs/dbraw/zinc/21/54/30/455215430.db2.gz NIMAAOMZUOHEOI-KBPBESRZSA-N 1 0 343.431 3.284 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000181818140 455385965 /nfs/dbraw/zinc/38/59/65/455385965.db2.gz RIBJSUVTOMIFFJ-GFCCVEGCSA-N 1 0 331.347 3.332 10 5 EGBERO Cc1c(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245917730 455398129 /nfs/dbraw/zinc/39/81/29/455398129.db2.gz SDIATDYJUZHUFX-JKSUJKDBSA-N 1 0 336.457 3.390 10 5 EGBERO Cc1sc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182090936 455433102 /nfs/dbraw/zinc/43/31/02/455433102.db2.gz WBRHIPZANLKYFA-LBPRGKRZSA-N 1 0 347.440 3.215 10 5 EGBERO CC(C)C[C@H](CO)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185350948 455546915 /nfs/dbraw/zinc/54/69/15/455546915.db2.gz DLRIAHWIZACKHA-MRXNPFEDSA-N 1 0 333.388 3.089 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1ccnc1)CCC2 ZINC000192654516 455662671 /nfs/dbraw/zinc/66/26/71/455662671.db2.gz MAVOBFBHKHHZRT-GOSISDBHSA-N 1 0 349.394 3.343 10 5 EGBERO Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000193575821 455765475 /nfs/dbraw/zinc/76/54/75/455765475.db2.gz WRNZKDHIPFDTQG-MRXNPFEDSA-N 1 0 342.399 3.328 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000278147537 455770008 /nfs/dbraw/zinc/77/00/08/455770008.db2.gz RENMZXSGUDSINL-LBPRGKRZSA-N 1 0 339.823 3.161 10 5 EGBERO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1c1ccccc1[N+](=O)[O-] ZINC000252484570 455809889 /nfs/dbraw/zinc/80/98/89/455809889.db2.gz FZNKKYXOZHCMJN-GJZGRUSLSA-N 1 0 335.448 3.045 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285568164 455871508 /nfs/dbraw/zinc/87/15/08/455871508.db2.gz NNVHWVAJWKBSBY-FZMZJTMJSA-N 1 0 332.322 3.435 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280492702 455982192 /nfs/dbraw/zinc/98/21/92/455982192.db2.gz MKDFDNLNRBQFBC-KBXCAEBGSA-N 1 0 334.416 3.234 10 5 EGBERO C[C@@H]1C[N@@H+](CCC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000301532350 456139571 /nfs/dbraw/zinc/13/95/71/456139571.db2.gz HZXPCYRXBYXKIU-IYBDPMFKSA-N 1 0 347.459 3.311 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115850 460716121 /nfs/dbraw/zinc/71/61/21/460716121.db2.gz DHSHFLYSOGDFIA-KGLIPLIRSA-N 1 0 336.411 3.220 10 5 EGBERO COc1cc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301698467 456190365 /nfs/dbraw/zinc/19/03/65/456190365.db2.gz DBIWIQHVJKMKRI-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO CCOc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000301810339 456220664 /nfs/dbraw/zinc/22/06/64/456220664.db2.gz ZCTNXYHTDXBMQW-CQSZACIVSA-N 1 0 333.432 3.447 10 5 EGBERO Cc1ccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301837298 456228185 /nfs/dbraw/zinc/22/81/85/456228185.db2.gz YAVQAYFADBJDIU-HZPDHXFCSA-N 1 0 347.459 3.229 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967901 456260543 /nfs/dbraw/zinc/26/05/43/456260543.db2.gz XCQHBWXENIPALS-DGCLKSJQSA-N 1 0 341.358 3.259 10 5 EGBERO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000340217425 456320515 /nfs/dbraw/zinc/32/05/15/456320515.db2.gz GGDYYLDRGBJDRM-GFCCVEGCSA-N 1 0 345.365 3.347 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000340285870 456362285 /nfs/dbraw/zinc/36/22/85/456362285.db2.gz MFSIWVIHIFFWDT-AEFFLSMTSA-N 1 0 329.375 3.269 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000340285876 456362503 /nfs/dbraw/zinc/36/25/03/456362503.db2.gz MFSIWVIHIFFWDT-WMZOPIPTSA-N 1 0 329.375 3.269 10 5 EGBERO Nc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000298784052 456539888 /nfs/dbraw/zinc/53/98/88/456539888.db2.gz MSYOCOCEEBROAE-UHFFFAOYSA-N 1 0 340.383 3.025 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000349830341 457068556 /nfs/dbraw/zinc/06/85/56/457068556.db2.gz FPGVKYSVCHOXHQ-UHFFFAOYSA-N 1 0 325.412 3.221 10 5 EGBERO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](CC)CN1C(C)=O ZINC000349974455 457129108 /nfs/dbraw/zinc/12/91/08/457129108.db2.gz MSJRPUYBSUFYKT-IAGOWNOFSA-N 1 0 333.432 3.125 10 5 EGBERO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977533 457326634 /nfs/dbraw/zinc/32/66/34/457326634.db2.gz ITIKASLZLCLOLA-UHFFFAOYSA-N 1 0 344.367 3.354 10 5 EGBERO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697979 457462107 /nfs/dbraw/zinc/46/21/07/457462107.db2.gz FAVHLTRPEJIPTH-LSDHHAIUSA-N 1 0 349.431 3.060 10 5 EGBERO Cc1noc(C2(C)CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000374750546 457700801 /nfs/dbraw/zinc/70/08/01/457700801.db2.gz MUEDVAUNQBRLEM-LBPRGKRZSA-N 1 0 330.388 3.401 10 5 EGBERO Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(F)c1 ZINC000358090813 457779900 /nfs/dbraw/zinc/77/99/00/457779900.db2.gz UVNIQGVUGMAZPN-HNNXBMFYSA-N 1 0 327.319 3.064 10 5 EGBERO CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366333 457865830 /nfs/dbraw/zinc/86/58/30/457865830.db2.gz JHVRAPQMOYNLIM-HUUCEWRRSA-N 1 0 349.431 3.203 10 5 EGBERO CC[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493397 458069684 /nfs/dbraw/zinc/06/96/84/458069684.db2.gz GSCICTIWNKUSCG-WMLDXEAASA-N 1 0 348.447 3.077 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000446241349 458166848 /nfs/dbraw/zinc/16/68/48/458166848.db2.gz NJWLRFUSAIJKDK-UHFFFAOYSA-N 1 0 348.790 3.300 10 5 EGBERO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529904 458305499 /nfs/dbraw/zinc/30/54/99/458305499.db2.gz MULJPDUNCMGNFJ-YYIAUSFCSA-N 1 0 349.479 3.128 10 5 EGBERO O=C(Nc1ccccc1)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000495176911 458805446 /nfs/dbraw/zinc/80/54/46/458805446.db2.gz UMNYXGVEUSDTEJ-SOFGYWHQSA-N 1 0 337.379 3.369 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000594506104 459066481 /nfs/dbraw/zinc/06/64/81/459066481.db2.gz MNBRFSFLSQESBP-DKSSEZFCSA-N 1 0 339.395 3.487 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594516926 459074470 /nfs/dbraw/zinc/07/44/70/459074470.db2.gz YZCMELMZOHXBEO-NOLJZWGESA-N 1 0 349.431 3.248 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000594979123 459203605 /nfs/dbraw/zinc/20/36/05/459203605.db2.gz JDKKRAAOOZZJQF-QAPCUYQASA-N 1 0 328.416 3.138 10 5 EGBERO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(F)CC1 ZINC000594990248 459206623 /nfs/dbraw/zinc/20/66/23/459206623.db2.gz PAYCKICAPAYJJX-BZUNDVKYSA-N 1 0 338.379 3.468 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595063046 459233306 /nfs/dbraw/zinc/23/33/06/459233306.db2.gz ZKPRKSHPADOLTE-LJQANCHMSA-N 1 0 341.411 3.472 10 5 EGBERO COC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595062948 459233330 /nfs/dbraw/zinc/23/33/30/459233330.db2.gz BHGCOEOCLIYDBJ-QZTJIDSGSA-N 1 0 348.443 3.348 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000595087308 459240937 /nfs/dbraw/zinc/24/09/37/459240937.db2.gz RAXQZRKOXZUUTA-YSVLISHTSA-N 1 0 328.416 3.390 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595092678 459241454 /nfs/dbraw/zinc/24/14/54/459241454.db2.gz YYGNHTOFHMZWJN-RYUDHWBXSA-N 1 0 345.424 3.253 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000595094022 459243485 /nfs/dbraw/zinc/24/34/85/459243485.db2.gz SAEUGJNDZFTSFC-GFCCVEGCSA-N 1 0 328.359 3.494 10 5 EGBERO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000484643854 459424331 /nfs/dbraw/zinc/42/43/31/459424331.db2.gz DTMNLFVEMGAUHD-ZWKOTPCHSA-N 1 0 344.415 3.080 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595825164 459453706 /nfs/dbraw/zinc/45/37/06/459453706.db2.gz CHYSSMYRTXZDBA-KRWDZBQOSA-N 1 0 341.411 3.314 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccccc1 ZINC000485983757 459482524 /nfs/dbraw/zinc/48/25/24/459482524.db2.gz YCMBVLAHGRGEIZ-AZUAARDMSA-N 1 0 348.406 3.422 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000541769448 459490112 /nfs/dbraw/zinc/49/01/12/459490112.db2.gz XXTYSTYKCDIGAO-IBGZPJMESA-N 1 0 325.412 3.392 10 5 EGBERO CCCN(C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591976298 459501778 /nfs/dbraw/zinc/50/17/78/459501778.db2.gz QFXRWSHBRLLPKN-SJORKVTESA-N 1 0 348.447 3.172 10 5 EGBERO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210134 459535385 /nfs/dbraw/zinc/53/53/85/459535385.db2.gz NWZJQQJOJDAGED-HZPDHXFCSA-N 1 0 344.411 3.336 10 5 EGBERO COc1cc(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000592176250 459543793 /nfs/dbraw/zinc/54/37/93/459543793.db2.gz HDHWZWPCZFETIX-QGZVFWFLSA-N 1 0 334.416 3.046 10 5 EGBERO COc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000596243037 459573244 /nfs/dbraw/zinc/57/32/44/459573244.db2.gz FBTHJSZENFPRTG-INIZCTEOSA-N 1 0 339.823 3.179 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC4(CCC4)C3)c2c1 ZINC000562522501 459577137 /nfs/dbraw/zinc/57/71/37/459577137.db2.gz JYEJMYLDDKAJJQ-CQSZACIVSA-N 1 0 329.400 3.310 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592397555 459592084 /nfs/dbraw/zinc/59/20/84/459592084.db2.gz NTBWGGMSEDUMRZ-XPKDYRNWSA-N 1 0 349.431 3.248 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596308814 459592093 /nfs/dbraw/zinc/59/20/93/459592093.db2.gz VYLORGYZDFSGRO-JTQLQIEISA-N 1 0 343.225 3.037 10 5 EGBERO Cc1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596425519 459633754 /nfs/dbraw/zinc/63/37/54/459633754.db2.gz ZMRAGZXPSVEZLG-QGZVFWFLSA-N 1 0 341.411 3.082 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000584030519 459636426 /nfs/dbraw/zinc/63/64/26/459636426.db2.gz MMALBTWSTOOPCW-OAHLLOKOSA-N 1 0 347.459 3.279 10 5 EGBERO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631911 459678003 /nfs/dbraw/zinc/67/80/03/459678003.db2.gz OQUYZTOHXRLNHG-WBVHZDCISA-N 1 0 347.459 3.420 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000544106278 459726856 /nfs/dbraw/zinc/72/68/56/459726856.db2.gz DDNMPXTYOWLNSJ-GFCCVEGCSA-N 1 0 337.807 3.475 10 5 EGBERO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071915 459763995 /nfs/dbraw/zinc/76/39/95/459763995.db2.gz WNSZDKRCTOGWLM-ZDUSSCGKSA-N 1 0 343.221 3.358 10 5 EGBERO C[C@@H]1C[NH+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000593459104 459895691 /nfs/dbraw/zinc/89/56/91/459895691.db2.gz XGPFFCGANKURQT-ZIAGYGMSSA-N 1 0 344.415 3.054 10 5 EGBERO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000593472723 459899918 /nfs/dbraw/zinc/89/99/18/459899918.db2.gz IZCBWXXBYSPESQ-CQSZACIVSA-N 1 0 340.427 3.454 10 5 EGBERO CCc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000593689499 459951581 /nfs/dbraw/zinc/95/15/81/459951581.db2.gz UVFYHQQBCRVGOQ-UHFFFAOYSA-N 1 0 330.384 3.464 10 5 EGBERO CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494951 460095487 /nfs/dbraw/zinc/09/54/87/460095487.db2.gz CDIJLNCWJIFTEI-UHFFFAOYSA-N 1 0 342.395 3.446 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000598989504 460118672 /nfs/dbraw/zinc/11/86/72/460118672.db2.gz JHYWVJGLVRRWRE-ZRFDWSJLSA-N 1 0 340.305 3.198 10 5 EGBERO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@H+](CC)C1 ZINC000598040926 460150916 /nfs/dbraw/zinc/15/09/16/460150916.db2.gz JJKDGBMWYBUTDM-AWEZNQCLSA-N 1 0 347.440 3.366 10 5 EGBERO C[C@@H]1C[N@H+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599072342 460151476 /nfs/dbraw/zinc/15/14/76/460151476.db2.gz CHGZWRJUCYXMLI-CQSZACIVSA-N 1 0 344.415 3.056 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC12CC2 ZINC000599093064 460159550 /nfs/dbraw/zinc/15/95/50/460159550.db2.gz UQHFHKMBVUPXCG-UONOGXRCSA-N 1 0 331.416 3.482 10 5 EGBERO CC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529761 460177289 /nfs/dbraw/zinc/17/72/89/460177289.db2.gz OGEKMNYHMRQVMX-PBHICJAKSA-N 1 0 348.447 3.075 10 5 EGBERO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000610831089 460245611 /nfs/dbraw/zinc/24/56/11/460245611.db2.gz ZSWSERGQMGUBAX-LBPRGKRZSA-N 1 0 331.347 3.332 10 5 EGBERO O=C(C[NH2+][C@H](c1ccccn1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599573023 460277814 /nfs/dbraw/zinc/27/78/14/460277814.db2.gz DPLPNVMMJJMIOU-SFHVURJKSA-N 1 0 340.383 3.059 10 5 EGBERO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599630580 460293054 /nfs/dbraw/zinc/29/30/54/460293054.db2.gz SNURXQRWILZDJS-INIZCTEOSA-N 1 0 332.379 3.199 10 5 EGBERO COc1ccc([C@@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1F ZINC000599681743 460309412 /nfs/dbraw/zinc/30/94/12/460309412.db2.gz ZUQYASNFLVBVFN-CYBMUJFWSA-N 1 0 346.358 3.438 10 5 EGBERO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000600229102 460450881 /nfs/dbraw/zinc/45/08/81/460450881.db2.gz PHJJPVZISUMLST-INIZCTEOSA-N 1 0 331.416 3.040 10 5 EGBERO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600472464 460500536 /nfs/dbraw/zinc/50/05/36/460500536.db2.gz ZFSVHTSTDGTNCQ-ZDUSSCGKSA-N 1 0 349.456 3.063 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000611983774 460501026 /nfs/dbraw/zinc/50/10/26/460501026.db2.gz JKWYTNUQAJIIQK-INIZCTEOSA-N 1 0 341.411 3.453 10 5 EGBERO CSc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150286 460733855 /nfs/dbraw/zinc/73/38/55/460733855.db2.gz UXUNENRSBCHOBR-QGZVFWFLSA-N 1 0 332.425 3.314 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601235561 460760996 /nfs/dbraw/zinc/76/09/96/460760996.db2.gz ZBKATMCHLORYNN-UHFFFAOYSA-N 1 0 346.431 3.467 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000191392667 534055814 /nfs/dbraw/zinc/05/58/14/534055814.db2.gz KLWFZQCEOUXFII-AWEZNQCLSA-N 1 0 334.420 3.208 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000246559086 536167898 /nfs/dbraw/zinc/16/78/98/536167898.db2.gz MAMFJYYIYRUZCN-STQMWFEESA-N 1 0 349.456 3.016 10 5 EGBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000870549242 1295936110 /nfs/dbraw/zinc/93/61/10/1295936110.db2.gz YLHGRIMFPPHGJN-AWEZNQCLSA-N 1 0 343.383 3.154 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000870994778 1296171801 /nfs/dbraw/zinc/17/18/01/1296171801.db2.gz VETXASYKVNHOEH-MRXNPFEDSA-N 1 0 339.823 3.085 10 5 EGBERO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051331 1296701107 /nfs/dbraw/zinc/70/11/07/1296701107.db2.gz JDLJIQYJDIIQII-PIGZYNQJSA-N 1 0 336.338 3.431 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051586 1296703149 /nfs/dbraw/zinc/70/31/49/1296703149.db2.gz LNOCZHVHWYCUCX-OLZOCXBDSA-N 1 0 330.363 3.058 10 5 EGBERO CC(C)(C)OC1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872219668 1296822655 /nfs/dbraw/zinc/82/26/55/1296822655.db2.gz UWLCDQQXPLCJBB-PREGVCBESA-N 1 0 336.432 3.344 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000882120575 1301838308 /nfs/dbraw/zinc/83/83/08/1301838308.db2.gz XMEQTCJXMXWNCL-GOEBONIOSA-N 1 0 343.427 3.251 10 5 EGBERO CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000893431538 1305892529 /nfs/dbraw/zinc/89/25/29/1305892529.db2.gz PXSVEDLXWMSPQR-UHFFFAOYSA-N 1 0 335.404 3.059 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCOC4(CCCCC4)C3)nc2c1 ZINC000894573557 1308959720 /nfs/dbraw/zinc/95/97/20/1308959720.db2.gz CRAYNRXOBYUGPK-ZDUSSCGKSA-N 1 0 344.415 3.443 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3CF)C2)nc1 ZINC000929985289 1328757435 /nfs/dbraw/zinc/75/74/35/1328757435.db2.gz BBNRXGYWNSLECB-OAHLLOKOSA-N 1 0 330.363 3.146 10 5 EGBERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859361031 1328975392 /nfs/dbraw/zinc/97/53/92/1328975392.db2.gz CJLUAXCTJLJKLX-ZDUSSCGKSA-N 1 0 329.400 3.208 10 5 EGBERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556230 1329016469 /nfs/dbraw/zinc/01/64/69/1329016469.db2.gz IMMFOSBXQNLDNC-SCLBCKFNSA-N 1 0 341.411 3.160 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000859564867 1329018742 /nfs/dbraw/zinc/01/87/42/1329018742.db2.gz QICNAADZFWRZEE-QZTJIDSGSA-N 1 0 327.384 3.154 10 5 EGBERO COc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1O ZINC000922422197 1322526249 /nfs/dbraw/zinc/52/62/49/1322526249.db2.gz HBJAOYBNUCLKCN-VGPLMAKISA-N 1 0 338.429 3.073 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922960616 1322662214 /nfs/dbraw/zinc/66/22/14/1322662214.db2.gz HYCUWGRGNZKGDT-GHXNOFRVSA-N 1 0 345.424 3.317 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000859927625 1329112472 /nfs/dbraw/zinc/11/24/72/1329112472.db2.gz NBHUQZHLULJMFY-IJXRJRJASA-N 1 0 338.407 3.364 10 5 EGBERO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[N@@H+]1C1CC1 ZINC000859964930 1329120337 /nfs/dbraw/zinc/12/03/37/1329120337.db2.gz MJFFROZXUGQKAL-TZMCWYRMSA-N 1 0 339.395 3.103 10 5 EGBERO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054966 1329136716 /nfs/dbraw/zinc/13/67/16/1329136716.db2.gz PRHYVMDGPMMZHR-NSHDSACASA-N 1 0 334.401 3.039 10 5 EGBERO Cc1cc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1C ZINC000926908679 1327769003 /nfs/dbraw/zinc/76/90/03/1327769003.db2.gz BHMBESZQVIEEQH-QGZVFWFLSA-N 1 0 328.416 3.191 10 5 EGBERO Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nn1C ZINC000926916682 1327774863 /nfs/dbraw/zinc/77/48/63/1327774863.db2.gz YVJVCXXDURNICC-CRAIPNDOSA-N 1 0 342.443 3.180 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927014535 1327820991 /nfs/dbraw/zinc/82/09/91/1327820991.db2.gz OGVBPBKPABLAMA-GOEBONIOSA-N 1 0 334.416 3.282 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000928013633 1328173105 /nfs/dbraw/zinc/17/31/05/1328173105.db2.gz URNHNUQYAUNTKZ-UHFFFAOYSA-N 1 0 331.416 3.122 10 5 EGBERO CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC[NH+](C)CC1 ZINC000861891305 1329448275 /nfs/dbraw/zinc/44/82/75/1329448275.db2.gz WSXQKSWECYLRHY-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861938537 1329451769 /nfs/dbraw/zinc/45/17/69/1329451769.db2.gz KDLFILKADJXDIU-OAHLLOKOSA-N 1 0 341.411 3.303 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482994 1329489908 /nfs/dbraw/zinc/48/99/08/1329489908.db2.gz NFGNTQDAMAPOEA-IBGZPJMESA-N 1 0 326.396 3.387 10 5 EGBERO CC(=O)NCC1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000865484205 1329703831 /nfs/dbraw/zinc/70/38/31/1329703831.db2.gz CKTFNQMHJWTKQK-BZOOQXSSSA-N 1 0 333.432 3.249 10 5 EGBERO COc1c(C)cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC000865705400 1329731101 /nfs/dbraw/zinc/73/11/01/1329731101.db2.gz PZYUIWBNDYWMCV-LJQANCHMSA-N 1 0 344.411 3.218 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC[C@@H]21 ZINC000866207744 1330078687 /nfs/dbraw/zinc/07/86/87/1330078687.db2.gz JOMNWQWQJPQFRH-HIFRSBDPSA-N 1 0 333.432 3.303 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866562591 1330126941 /nfs/dbraw/zinc/12/69/41/1330126941.db2.gz FSSPJUSDBWMQHR-KZULUSFZSA-N 1 0 326.400 3.014 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000866612878 1330133017 /nfs/dbraw/zinc/13/30/17/1330133017.db2.gz CRYMAHROUUOJAO-SQWLQELKSA-N 1 0 328.416 3.390 10 5 EGBERO Cc1cccc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000867991385 1330237989 /nfs/dbraw/zinc/23/79/89/1330237989.db2.gz OBKANOCUCSBHKQ-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO C[C@@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC001183837531 1387357142 /nfs/dbraw/zinc/35/71/42/1387357142.db2.gz XCVZDCGUSUPXOO-UPJWGTAASA-N 1 0 342.399 3.343 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001123318351 1372423604 /nfs/dbraw/zinc/42/36/04/1372423604.db2.gz PNEGVXNMYNRATE-UHFFFAOYSA-N 1 0 334.420 3.288 10 5 EGBERO CCC(CC)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001326786136 1388310141 /nfs/dbraw/zinc/31/01/41/1388310141.db2.gz QFSHBCKAJSMPME-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001148165459 1379127316 /nfs/dbraw/zinc/12/73/16/1379127316.db2.gz PIAZTRNVNHLASR-CYBMUJFWSA-N 1 0 339.823 3.195 10 5 EGBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001154077749 1380199644 /nfs/dbraw/zinc/19/96/44/1380199644.db2.gz DRYKDDVAHICBRZ-ZDUSSCGKSA-N 1 0 337.395 3.037 10 5 EGBERO CCN(CCC[NH+]1CCCC1)c1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001163076311 1382960796 /nfs/dbraw/zinc/96/07/96/1382960796.db2.gz NIBSKAXSDZCPCK-UHFFFAOYSA-N 1 0 349.431 3.002 10 5 EGBERO CC(C)Cc1ccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC001163436773 1383051702 /nfs/dbraw/zinc/05/17/02/1383051702.db2.gz GEDXDMDDSTVZTP-MRXNPFEDSA-N 1 0 345.447 3.242 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001306984434 1383929925 /nfs/dbraw/zinc/92/99/25/1383929925.db2.gz YXZZZOJBFUQSAF-KGLIPLIRSA-N 1 0 349.431 3.365 10 5 EGBERO Cc1cc(C2CC[NH+](CC[N+](=O)[O-])CC2)ccc1Br ZINC001307704989 1384016851 /nfs/dbraw/zinc/01/68/51/1384016851.db2.gz OGFAXFDPEZEVSP-UHFFFAOYSA-N 1 0 327.222 3.214 10 5 EGBERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307715620 1384018423 /nfs/dbraw/zinc/01/84/23/1384018423.db2.gz MTYZMJJQOBRVSW-JSGCOSHPSA-N 1 0 343.221 3.405 10 5 EGBERO CC(C)(C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848334 1384041179 /nfs/dbraw/zinc/04/11/79/1384041179.db2.gz XRPBNDKGYQHVNJ-WMLDXEAASA-N 1 0 345.443 3.458 10 5 EGBERO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001307886843 1384050724 /nfs/dbraw/zinc/05/07/24/1384050724.db2.gz CVBXIEUJZVCURP-OAHLLOKOSA-N 1 0 325.840 3.410 10 5 EGBERO C[C@@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC001307994393 1384069809 /nfs/dbraw/zinc/06/98/09/1384069809.db2.gz ZEGNHJAPVNJINZ-ZDUSSCGKSA-N 1 0 333.432 3.342 10 5 EGBERO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(CO)CCCCCCC2)c(F)c1 ZINC001308017255 1384075598 /nfs/dbraw/zinc/07/55/98/1384075598.db2.gz KFLGAGVTKOBNQB-UHFFFAOYSA-N 1 0 328.359 3.438 10 5 EGBERO COC(=O)[C@H]1CCCC[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665707 1384170642 /nfs/dbraw/zinc/17/06/42/1384170642.db2.gz FIJABZKZZMDRJV-WBVHZDCISA-N 1 0 334.416 3.049 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171017542 1384430395 /nfs/dbraw/zinc/43/03/95/1384430395.db2.gz FEXOQJAZYSWKKM-IRXDYDNUSA-N 1 0 328.416 3.368 10 5 EGBERO CCC(=CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)CC ZINC001317075602 1384842142 /nfs/dbraw/zinc/84/21/42/1384842142.db2.gz HSIYXPKUMPZQTL-WKILWMFISA-N 1 0 331.416 3.078 10 5 EGBERO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176281782 1385537992 /nfs/dbraw/zinc/53/79/92/1385537992.db2.gz PTFMRFHXYLJCPY-ZDUSSCGKSA-N 1 0 346.818 3.354 10 5 EGBERO COc1cc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC001176649783 1385646691 /nfs/dbraw/zinc/64/66/91/1385646691.db2.gz LVUIRKQRGAGPAT-OAHLLOKOSA-N 1 0 340.420 3.460 10 5 EGBERO CCCC(=O)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001319008381 1385921681 /nfs/dbraw/zinc/92/16/81/1385921681.db2.gz CSNLGDDHVXPDNU-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC1(CC(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001321045402 1386793705 /nfs/dbraw/zinc/79/37/05/1386793705.db2.gz UBUAZBSNUBGTDS-SNAWJCMRSA-N 1 0 345.443 3.327 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1 ZINC001329581094 1389166266 /nfs/dbraw/zinc/16/62/66/1389166266.db2.gz CUGRHCIGQGMMJI-KGLIPLIRSA-N 1 0 338.429 3.097 10 5 EGBERO CCCCCC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001333290896 1390277088 /nfs/dbraw/zinc/27/70/88/1390277088.db2.gz KYXDZVIMLFUTSC-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@H]2C1 ZINC001350915940 1391557854 /nfs/dbraw/zinc/55/78/54/1391557854.db2.gz OBBMOIPXVXOBDZ-RYGJVYDSSA-N 1 0 345.446 3.458 10 5 EGBERO CCCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001690355703 1404490028 /nfs/dbraw/zinc/49/00/28/1404490028.db2.gz JMESJWHIOSKDDO-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO CC(C)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001732389575 1428559523 /nfs/dbraw/zinc/55/95/23/1428559523.db2.gz VDVMYRQXQDMNLI-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001732763451 1428955638 /nfs/dbraw/zinc/95/56/38/1428955638.db2.gz ILQPUDQLEDTEBA-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO CC[N@H+](CCCNC(=O)c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001707439382 1417343727 /nfs/dbraw/zinc/34/37/27/1417343727.db2.gz PDHQZYSENOAABJ-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001733080189 1429234121 /nfs/dbraw/zinc/23/41/21/1429234121.db2.gz DLXZBVLIDRXTMI-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC1(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001713947196 1418732926 /nfs/dbraw/zinc/73/29/26/1418732926.db2.gz GJSPOSSSGFTNML-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CCc1ccccc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001714756635 1419496065 /nfs/dbraw/zinc/49/60/65/1419496065.db2.gz WDIMWKUHISTJEF-UHFFFAOYSA-N 1 0 347.440 3.081 10 5 EGBERO C[C@H]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001716698377 1420850912 /nfs/dbraw/zinc/85/09/12/1420850912.db2.gz BUWWALCBZBRDDM-KOMQPUFPSA-N 1 0 345.443 3.160 10 5 EGBERO CC1(CNC(=O)CC2CC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001716881389 1421005602 /nfs/dbraw/zinc/00/56/02/1421005602.db2.gz ICEQLHCTBBZYNL-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C=C/C(C)=C\CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001717156480 1421145894 /nfs/dbraw/zinc/14/58/94/1421145894.db2.gz ZNRXERLJPGYMNS-DHDCSXOGSA-N 1 0 343.427 3.246 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C2CC2)CC1 ZINC001717207749 1421179052 /nfs/dbraw/zinc/17/90/52/1421179052.db2.gz NPWWZHHZHNZDGW-UHFFFAOYSA-N 1 0 345.443 3.065 10 5 EGBERO CC(C)CC(=O)NCC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001724271639 1424766438 /nfs/dbraw/zinc/76/64/38/1424766438.db2.gz MQLDRTODTDIPFJ-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCC(=O)N(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001724614005 1424959402 /nfs/dbraw/zinc/95/94/02/1424959402.db2.gz BBJGBCGWPKWMPR-UHFFFAOYSA-N 1 0 341.411 3.123 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001731445898 1427423431 /nfs/dbraw/zinc/42/34/31/1427423431.db2.gz FCNXGRHDOXABPB-JOCQHMNTSA-N 1 0 339.461 3.219 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC=CC1 ZINC001733776573 1430024108 /nfs/dbraw/zinc/02/41/08/1430024108.db2.gz ORHMZJNPKZWOOZ-UHFFFAOYSA-N 1 0 345.443 3.231 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368099884 168310846 /nfs/dbraw/zinc/31/08/46/168310846.db2.gz GLLZTABQGDMERI-BPUTZDHNSA-N 1 0 340.427 3.176 10 5 EGBERO Cc1cc([C@H]([NH3+])c2cncc(Br)c2)cc([N+](=O)[O-])c1C ZINC000040177391 213279670 /nfs/dbraw/zinc/27/96/70/213279670.db2.gz UQDSOMRCQXTPPU-AWEZNQCLSA-N 1 0 336.189 3.417 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000192810381 239895035 /nfs/dbraw/zinc/89/50/35/239895035.db2.gz CPIASJPKYXEAGR-ZBFHGGJFSA-N 1 0 341.415 3.013 10 5 EGBERO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([NH+]2CCCC2)CC1 ZINC000112074936 285079237 /nfs/dbraw/zinc/07/92/37/285079237.db2.gz LEPNAAGTXSMXLF-UHFFFAOYSA-N 1 0 326.400 3.208 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1 ZINC000005517077 210480152 /nfs/dbraw/zinc/48/01/52/210480152.db2.gz YJKWWDQXTDOFHP-UHFFFAOYSA-N 1 0 344.354 3.119 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000361995385 285164193 /nfs/dbraw/zinc/16/41/93/285164193.db2.gz HGRQYIHDINCITR-APWZRJJASA-N 1 0 342.395 3.341 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000185792120 533405687 /nfs/dbraw/zinc/40/56/87/533405687.db2.gz VQXQGWJPGDROIQ-CCEZHUSRSA-N 1 0 343.427 3.085 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000178192774 144066314 /nfs/dbraw/zinc/06/63/14/144066314.db2.gz GWMBTKYFOGRFSQ-LSDHHAIUSA-N 1 0 341.415 3.013 10 5 EGBERO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185602980 144116269 /nfs/dbraw/zinc/11/62/69/144116269.db2.gz KAPUVAABCWXJBK-ZFWWWQNUSA-N 1 0 328.368 3.128 10 5 EGBERO CO[C@H](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000345493911 144246509 /nfs/dbraw/zinc/24/65/09/144246509.db2.gz WOBOWXJXVHFCJS-DZGCQCFKSA-N 1 0 346.349 3.473 10 5 EGBERO Cc1ccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341459341 155304520 /nfs/dbraw/zinc/30/45/20/155304520.db2.gz IOQXLSIQGZFACR-ZIAGYGMSSA-N 1 0 334.420 3.288 10 5 EGBERO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000121340960 152344105 /nfs/dbraw/zinc/34/41/05/152344105.db2.gz TYTBEHHKDFPSDD-NSHDSACASA-N 1 0 349.337 3.187 10 5 EGBERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192812921 153262109 /nfs/dbraw/zinc/26/21/09/153262109.db2.gz YTDQAQGOCOJXTH-NVXWUHKLSA-N 1 0 341.415 3.095 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000341051331 155129920 /nfs/dbraw/zinc/12/99/20/155129920.db2.gz DTEFJUWZOFFRBT-BETUJISGSA-N 1 0 344.415 3.069 10 5 EGBERO CC(C)Cc1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348923123 156289055 /nfs/dbraw/zinc/28/90/55/156289055.db2.gz SJCJNJFWMSCYGV-UHFFFAOYSA-N 1 0 334.445 3.215 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806593 162058049 /nfs/dbraw/zinc/05/80/49/162058049.db2.gz QPOWZMGPUQPFBS-AWEZNQCLSA-N 1 0 341.415 3.047 10 5 EGBERO CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000338834518 163359282 /nfs/dbraw/zinc/35/92/82/163359282.db2.gz SHDGFUALUARAFE-HNNXBMFYSA-N 1 0 332.429 3.427 10 5 EGBERO COc1cc(C[N@H+](C)CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000351970682 165173926 /nfs/dbraw/zinc/17/39/26/165173926.db2.gz HGGKJXIHPPVMCW-UHFFFAOYSA-N 1 0 334.347 3.253 10 5 EGBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359567085 167196746 /nfs/dbraw/zinc/19/67/46/167196746.db2.gz WKNWDJVETLCTDM-GLJUWKHASA-N 1 0 331.416 3.434 10 5 EGBERO CCC[N@H+](CC)CCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176403983 265176236 /nfs/dbraw/zinc/17/62/36/265176236.db2.gz AJQRVACDYPMEOJ-MRXNPFEDSA-N 1 0 336.436 3.077 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177515752 265258341 /nfs/dbraw/zinc/25/83/41/265258341.db2.gz JLVKFRIHEKDBTE-ZIAGYGMSSA-N 1 0 347.415 3.054 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177523458 265260337 /nfs/dbraw/zinc/26/03/37/265260337.db2.gz UOHQMMAMOFPNRY-ZIAGYGMSSA-N 1 0 347.415 3.054 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](NCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000180003843 265393485 /nfs/dbraw/zinc/39/34/85/265393485.db2.gz PTBMXDPLBQSQGA-IBGZPJMESA-N 1 0 325.412 3.370 10 5 EGBERO C[NH2+]C[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234389736 266207413 /nfs/dbraw/zinc/20/74/13/266207413.db2.gz YTCMGZIBHXYBQL-LLVKDONJSA-N 1 0 342.237 3.102 10 5 EGBERO CC(=O)NC1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278633745 275261109 /nfs/dbraw/zinc/26/11/09/275261109.db2.gz HCKROSRGEUSKDW-JMLCCBQJSA-N 1 0 331.416 3.009 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000288565969 276228628 /nfs/dbraw/zinc/22/86/28/276228628.db2.gz AJKFAGBDFTUTTM-AWEZNQCLSA-N 1 0 347.415 3.054 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000245519662 281019803 /nfs/dbraw/zinc/01/98/03/281019803.db2.gz ITZRNNQMBVHQPB-JKSUJKDBSA-N 1 0 347.459 3.149 10 5 EGBERO COCC[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180557367 292723107 /nfs/dbraw/zinc/72/31/07/292723107.db2.gz IGKMXODQWQLZJU-OALUTQOASA-N 1 0 344.411 3.061 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000414562308 309089420 /nfs/dbraw/zinc/08/94/20/309089420.db2.gz ARRNTIMTKJBACK-OAHLLOKOSA-N 1 0 345.374 3.111 10 5 EGBERO Cc1cccnc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296650438 308451663 /nfs/dbraw/zinc/45/16/63/308451663.db2.gz YVUVFGAAPJLKPX-GOSISDBHSA-N 1 0 325.412 3.452 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCC2(C[NH+](C)C)CCCC2)c1 ZINC000302178992 308732268 /nfs/dbraw/zinc/73/22/68/308732268.db2.gz YNGQZJVCZUNGCY-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO C[C@H](CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000352849322 308885811 /nfs/dbraw/zinc/88/58/11/308885811.db2.gz OMISPJPDBLHKLS-NLWZSEAUSA-N 1 0 346.452 3.431 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415689721 309141202 /nfs/dbraw/zinc/14/12/02/309141202.db2.gz DAAOYAAHGNJXNH-GOSISDBHSA-N 1 0 348.447 3.404 10 5 EGBERO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000418140894 309237357 /nfs/dbraw/zinc/23/73/57/309237357.db2.gz KGRXEUFMCQDLID-QGZVFWFLSA-N 1 0 327.384 3.342 10 5 EGBERO CCC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421852828 309343403 /nfs/dbraw/zinc/34/34/03/309343403.db2.gz HXYDQBAORSYUGM-ZQIUZPCESA-N 1 0 333.432 3.317 10 5 EGBERO CON1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421881046 309344747 /nfs/dbraw/zinc/34/47/47/309344747.db2.gz RAOKTODVFBADIR-IBGZPJMESA-N 1 0 341.411 3.300 10 5 EGBERO COc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCC[NH2+]2)cc1 ZINC000422948232 309377679 /nfs/dbraw/zinc/37/76/79/309377679.db2.gz QYDAFIZRTHYFFK-MJGOQNOKSA-N 1 0 341.411 3.186 10 5 EGBERO C[C@@H]1C[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385187 309398097 /nfs/dbraw/zinc/39/80/97/309398097.db2.gz QNTOQNLGGINZDW-LJHODMEESA-N 1 0 325.412 3.414 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449758635 310085007 /nfs/dbraw/zinc/08/50/07/310085007.db2.gz HECVXOFOBNQLRG-UHFFFAOYSA-N 1 0 345.365 3.362 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451351289 310173653 /nfs/dbraw/zinc/17/36/53/310173653.db2.gz ITTDDCIWPIGHKE-GVDBMIGSSA-N 1 0 334.416 3.119 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451883883 310201639 /nfs/dbraw/zinc/20/16/39/310201639.db2.gz FRXXTLSQQFRLQK-COPLHBTASA-N 1 0 332.322 3.209 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451895445 310202414 /nfs/dbraw/zinc/20/24/14/310202414.db2.gz DWVANBMDMJPLHN-GOSISDBHSA-N 1 0 334.416 3.385 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000475160832 310807954 /nfs/dbraw/zinc/80/79/54/310807954.db2.gz ZCSBKBQUNQWYKO-NJAFHUGGSA-N 1 0 336.432 3.139 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751217 311287084 /nfs/dbraw/zinc/28/70/84/311287084.db2.gz RYRXPXRNJFQOMN-JKSUJKDBSA-N 1 0 334.416 3.242 10 5 EGBERO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000539382799 314310180 /nfs/dbraw/zinc/31/01/80/314310180.db2.gz SSZRBLAZJMASLY-ZDUSSCGKSA-N 1 0 344.367 3.443 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000545920007 314791624 /nfs/dbraw/zinc/79/16/24/314791624.db2.gz AYIGOUHQNIFVIW-ARFHVFGLSA-N 1 0 334.416 3.159 10 5 EGBERO O=C(CC[NH2+][C@H]1C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548763676 315044815 /nfs/dbraw/zinc/04/48/15/315044815.db2.gz VRPMVVBBXQHSFC-HOCLYGCPSA-N 1 0 325.368 3.069 10 5 EGBERO COc1cccc([C@@H](CNc2c(OC)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000563918626 316090201 /nfs/dbraw/zinc/09/02/01/316090201.db2.gz PCZOCSWUBIEUHH-MRXNPFEDSA-N 1 0 345.399 3.327 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000565174594 316282590 /nfs/dbraw/zinc/28/25/90/316282590.db2.gz SIAWVCBFTDPHJR-CQSZACIVSA-N 1 0 327.384 3.296 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000183616111 323625821 /nfs/dbraw/zinc/62/58/21/323625821.db2.gz ZHJKLPYIAOHLIQ-UHFFFAOYSA-N 1 0 333.432 3.078 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000579278458 325087225 /nfs/dbraw/zinc/08/72/25/325087225.db2.gz UWHDFLYZEREQFQ-OICCZTGUSA-N 1 0 328.343 3.340 10 5 EGBERO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCCO[C@H]21 ZINC000579998137 325187718 /nfs/dbraw/zinc/18/77/18/325187718.db2.gz OAPJKFRGMXBPEK-BMGDILEWSA-N 1 0 343.427 3.412 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000181355600 455323067 /nfs/dbraw/zinc/32/30/67/455323067.db2.gz FOPKLAFTAHKLCQ-XJKSGUPXSA-N 1 0 348.374 3.133 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000008248312 453182211 /nfs/dbraw/zinc/18/22/11/453182211.db2.gz JSFQOLCXAYQCFX-LLVKDONJSA-N 1 0 349.337 3.471 10 5 EGBERO O=C(CC[NH2+][C@@H]1C[C@H]1c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000600756056 460591652 /nfs/dbraw/zinc/59/16/52/460591652.db2.gz LIJQADDSYOJIRC-GXTWGEPZSA-N 1 0 331.397 3.131 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000120371023 454293204 /nfs/dbraw/zinc/29/32/04/454293204.db2.gz QGDLOKDGTJVWBO-HIFRSBDPSA-N 1 0 334.420 3.097 10 5 EGBERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120650834 454330752 /nfs/dbraw/zinc/33/07/52/454330752.db2.gz YFGOVLIEGVHXDN-OAHLLOKOSA-N 1 0 343.383 3.085 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000104694993 454596904 /nfs/dbraw/zinc/59/69/04/454596904.db2.gz VLDXHQCBQIQDNB-QGZVFWFLSA-N 1 0 344.415 3.453 10 5 EGBERO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775154 454633461 /nfs/dbraw/zinc/63/34/61/454633461.db2.gz NQBDIUNIFFCJFB-KRWDZBQOSA-N 1 0 326.400 3.091 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000124811196 454772304 /nfs/dbraw/zinc/77/23/04/454772304.db2.gz UAQRCMCIHVTZMP-UHFFFAOYSA-N 1 0 343.383 3.096 10 5 EGBERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179014152 454999067 /nfs/dbraw/zinc/99/90/67/454999067.db2.gz RKKSIBLTKGNKSF-SJORKVTESA-N 1 0 340.383 3.162 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313726 455052286 /nfs/dbraw/zinc/05/22/86/455052286.db2.gz OAKYQQJAFDARJC-CQSZACIVSA-N 1 0 344.415 3.105 10 5 EGBERO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000156867089 455153970 /nfs/dbraw/zinc/15/39/70/455153970.db2.gz NDZWSIRAFIAPGY-CQSZACIVSA-N 1 0 341.411 3.065 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cccc1[N+](=O)[O-] ZINC000180513114 455187126 /nfs/dbraw/zinc/18/71/26/455187126.db2.gz ZODBMVRNBOBTMW-UONOGXRCSA-N 1 0 343.431 3.284 10 5 EGBERO CC[C@@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000180533867 455191891 /nfs/dbraw/zinc/19/18/91/455191891.db2.gz QUPCKUVQAVJSGL-GOEBONIOSA-N 1 0 343.431 3.365 10 5 EGBERO Cc1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000265347131 455311217 /nfs/dbraw/zinc/31/12/17/455311217.db2.gz WQBDIFQVANGBLU-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO CC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000266709754 455439889 /nfs/dbraw/zinc/43/98/89/455439889.db2.gz JCUKKOBWDQICSR-CVEARBPZSA-N 1 0 331.416 3.249 10 5 EGBERO CN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160264076 455442317 /nfs/dbraw/zinc/44/23/17/455442317.db2.gz PJPXWFUQUVRZNS-UHFFFAOYSA-N 1 0 348.325 3.029 10 5 EGBERO CCC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284351809 455673032 /nfs/dbraw/zinc/67/30/32/455673032.db2.gz NJZMRPHSUYJDDS-HYVNUMGLSA-N 1 0 338.448 3.184 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cs1 ZINC000269345431 455839759 /nfs/dbraw/zinc/83/97/59/455839759.db2.gz QGWSDMJLWGTSCQ-LBPRGKRZSA-N 1 0 328.459 3.191 10 5 EGBERO CC(C)c1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000236661469 456165607 /nfs/dbraw/zinc/16/56/07/456165607.db2.gz ITCQTFLCBFJNMY-UHFFFAOYSA-N 1 0 331.420 3.088 10 5 EGBERO CC(=O)c1ccc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301792163 456214604 /nfs/dbraw/zinc/21/46/04/456214604.db2.gz RDTZHZDPGHFCHQ-ZDUSSCGKSA-N 1 0 331.416 3.251 10 5 EGBERO Cc1ccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301837297 456228944 /nfs/dbraw/zinc/22/89/44/456228944.db2.gz YAVQAYFADBJDIU-HOTGVXAUSA-N 1 0 347.459 3.229 10 5 EGBERO COc1cc(C[NH+]2CCC(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000352767497 456288923 /nfs/dbraw/zinc/28/89/23/456288923.db2.gz BRNIGHNIWONNOG-UHFFFAOYSA-N 1 0 341.411 3.453 10 5 EGBERO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783300 456303682 /nfs/dbraw/zinc/30/36/82/456303682.db2.gz JESIROPQXCHWLJ-WBVHZDCISA-N 1 0 345.443 3.052 10 5 EGBERO CCC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348225718 456547795 /nfs/dbraw/zinc/54/77/95/456547795.db2.gz LDIUSBTYZYYWQW-FUHWJXTLSA-N 1 0 329.400 3.197 10 5 EGBERO CCc1cc(NC[C@@H]2CCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301073648 456790046 /nfs/dbraw/zinc/79/00/46/456790046.db2.gz AXSDBQCZJMITJC-INIZCTEOSA-N 1 0 341.415 3.120 10 5 EGBERO CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339046467 456915102 /nfs/dbraw/zinc/91/51/02/456915102.db2.gz AARXRVSRYMSKGN-QGZVFWFLSA-N 1 0 341.411 3.007 10 5 EGBERO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349974460 457129026 /nfs/dbraw/zinc/12/90/26/457129026.db2.gz MSJRPUYBSUFYKT-SJORKVTESA-N 1 0 333.432 3.125 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342226478 457179436 /nfs/dbraw/zinc/17/94/36/457179436.db2.gz QOVNFZMVOVTPMA-PHIMTYICSA-N 1 0 335.433 3.274 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364432968 457602520 /nfs/dbraw/zinc/60/25/20/457602520.db2.gz DUOKAMFFTIQTEP-YJYMSZOUSA-N 1 0 337.379 3.252 10 5 EGBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000374423325 457623858 /nfs/dbraw/zinc/62/38/58/457623858.db2.gz MTUJRBUZIZLFLV-ZDUSSCGKSA-N 1 0 332.429 3.152 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411303120 457854544 /nfs/dbraw/zinc/85/45/44/457854544.db2.gz UPHMYQMNEVNKFZ-CHWSQXEVSA-N 1 0 335.404 3.052 10 5 EGBERO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000358285941 457910318 /nfs/dbraw/zinc/91/03/18/457910318.db2.gz KADMXZMLHUXABH-CJNGLKHVSA-N 1 0 328.368 3.476 10 5 EGBERO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000358308785 457925212 /nfs/dbraw/zinc/92/52/12/457925212.db2.gz ZMBKTHDCBYCYQK-BBRMVZONSA-N 1 0 328.368 3.476 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000361891627 457935624 /nfs/dbraw/zinc/93/56/24/457935624.db2.gz XRXIAEAFSVLUSO-OWCLPIDISA-N 1 0 334.416 3.288 10 5 EGBERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000446881786 458240239 /nfs/dbraw/zinc/24/02/39/458240239.db2.gz VNBDTJWFMTUCGN-GOSISDBHSA-N 1 0 334.416 3.314 10 5 EGBERO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529903 458305680 /nfs/dbraw/zinc/30/56/80/458305680.db2.gz MULJPDUNCMGNFJ-YVSFHVDLSA-N 1 0 349.479 3.128 10 5 EGBERO Cc1ccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000502362928 458646401 /nfs/dbraw/zinc/64/64/01/458646401.db2.gz VBJSFBPTTCKZQJ-UHFFFAOYSA-N 1 0 334.420 3.289 10 5 EGBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000441257026 458906462 /nfs/dbraw/zinc/90/64/62/458906462.db2.gz JMQCTPXTBGKAPF-CQDKDKBSSA-N 1 0 346.387 3.253 10 5 EGBERO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000475747169 458963766 /nfs/dbraw/zinc/96/37/66/458963766.db2.gz JRZOKUSYFMBLEZ-MGPQQGTHSA-N 1 0 349.431 3.298 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566923102 459022211 /nfs/dbraw/zinc/02/22/11/459022211.db2.gz CJWSHDQUHRSZNT-GOEBONIOSA-N 1 0 325.368 3.350 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)n1 ZINC000478016220 459072148 /nfs/dbraw/zinc/07/21/48/459072148.db2.gz KWHKOBBBQPHNFJ-HXUWFJFHSA-N 1 0 348.406 3.439 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)o1 ZINC000594971268 459200694 /nfs/dbraw/zinc/20/06/94/459200694.db2.gz ZEBMCSIYGMMVCE-HNNXBMFYSA-N 1 0 338.310 3.369 10 5 EGBERO CC1(C)OCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594993498 459208521 /nfs/dbraw/zinc/20/85/21/459208521.db2.gz AQCXOJSNHKGIHC-NSHDSACASA-N 1 0 330.331 3.101 10 5 EGBERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000595015036 459216959 /nfs/dbraw/zinc/21/69/59/459216959.db2.gz XOVBRCUBEZKBNH-GFCCVEGCSA-N 1 0 338.404 3.061 10 5 EGBERO COC[C@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595024676 459219981 /nfs/dbraw/zinc/21/99/81/459219981.db2.gz CIEYQARNAWECLT-PBHICJAKSA-N 1 0 336.432 3.386 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000595035788 459224259 /nfs/dbraw/zinc/22/42/59/459224259.db2.gz MXSCMBVCGXTTHS-GFCCVEGCSA-N 1 0 342.399 3.164 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000595062263 459231970 /nfs/dbraw/zinc/23/19/70/459231970.db2.gz UUSBYCCJBGOJMP-AWEZNQCLSA-N 1 0 341.411 3.390 10 5 EGBERO CC[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595062915 459233116 /nfs/dbraw/zinc/23/31/16/459233116.db2.gz BDJRLURWQYHSBD-DLBZAZTESA-N 1 0 339.395 3.223 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cccc1[N+](=O)[O-] ZINC000595072258 459237000 /nfs/dbraw/zinc/23/70/00/459237000.db2.gz QZDDZFVUWATYHB-CJNGLKHVSA-N 1 0 339.395 3.142 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000595079685 459239429 /nfs/dbraw/zinc/23/94/29/459239429.db2.gz XUFJSXZSLRNMPN-OXXUSNJHSA-N 1 0 340.427 3.444 10 5 EGBERO CSc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595376701 459286940 /nfs/dbraw/zinc/28/69/40/459286940.db2.gz SETCZMVCHVZJKL-AWEZNQCLSA-N 1 0 344.440 3.398 10 5 EGBERO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000534344400 459319791 /nfs/dbraw/zinc/31/97/91/459319791.db2.gz BOHOCGHJAIOANC-UHFFFAOYSA-N 1 0 333.413 3.329 10 5 EGBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCO[C@@H]3CC3(F)F)C2)cc1 ZINC000595519769 459331689 /nfs/dbraw/zinc/33/16/89/459331689.db2.gz CHIQVCOPRFWZIE-DZGCQCFKSA-N 1 0 326.343 3.198 10 5 EGBERO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595641136 459380240 /nfs/dbraw/zinc/38/02/40/459380240.db2.gz BVPGQCCFGYDRAQ-LBPRGKRZSA-N 1 0 337.420 3.346 10 5 EGBERO COc1cc(CN2CCO[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000540908248 459401325 /nfs/dbraw/zinc/40/13/25/459401325.db2.gz UMOOIVMCAZSNDI-IBGZPJMESA-N 1 0 342.395 3.351 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000595785763 459439622 /nfs/dbraw/zinc/43/96/22/459439622.db2.gz YSSWQOZIXYEXAK-QWHCGFSZSA-N 1 0 330.306 3.007 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000595786240 459440387 /nfs/dbraw/zinc/44/03/87/459440387.db2.gz HAQRUAUTVDWFES-WBVHZDCISA-N 1 0 334.416 3.385 10 5 EGBERO COc1ccc(OCC[NH2+][C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595821479 459453578 /nfs/dbraw/zinc/45/35/78/459453578.db2.gz ZVFGQZBNODNKNG-HSBZDZAISA-N 1 0 340.395 3.489 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838291 459459494 /nfs/dbraw/zinc/45/94/94/459459494.db2.gz UUEGVTKDCAJIMZ-HNNXBMFYSA-N 1 0 331.416 3.436 10 5 EGBERO COc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1[N+](=O)[O-] ZINC000596075189 459510029 /nfs/dbraw/zinc/51/00/29/459510029.db2.gz FLPYZJFCLNMWBU-AAEUAGOBSA-N 1 0 325.796 3.296 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198679 459547023 /nfs/dbraw/zinc/54/70/23/459547023.db2.gz PUVXGZZDIGLVBY-MRXNPFEDSA-N 1 0 347.415 3.197 10 5 EGBERO CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583574560 459562163 /nfs/dbraw/zinc/56/21/63/459562163.db2.gz CRERKGOEASAYES-VQIMIIECSA-N 1 0 339.439 3.345 10 5 EGBERO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392242 459588385 /nfs/dbraw/zinc/58/83/85/459588385.db2.gz KBZMGYGNNZMZNO-NHYWBVRUSA-N 1 0 338.358 3.299 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592426712 459598965 /nfs/dbraw/zinc/59/89/65/459598965.db2.gz PFFCJQNULCPEPS-HNNXBMFYSA-N 1 0 332.404 3.008 10 5 EGBERO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697066 459625283 /nfs/dbraw/zinc/62/52/83/459625283.db2.gz XBXSURACEQRKPN-LIRRHRJNSA-N 1 0 326.396 3.118 10 5 EGBERO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC=CCC1 ZINC000543173104 459630686 /nfs/dbraw/zinc/63/06/86/459630686.db2.gz MXLMLDJPFXJECC-CYBMUJFWSA-N 1 0 328.372 3.433 10 5 EGBERO CCc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000592998843 459734169 /nfs/dbraw/zinc/73/41/69/459734169.db2.gz ZDUSXZPTLRJRKX-UHFFFAOYSA-N 1 0 327.384 3.276 10 5 EGBERO CCC[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000501806120 459746188 /nfs/dbraw/zinc/74/61/88/459746188.db2.gz QZJAWNMPSLMOQB-QAPCUYQASA-N 1 0 335.448 3.089 10 5 EGBERO CN(c1ccnc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000593474614 459900768 /nfs/dbraw/zinc/90/07/68/459900768.db2.gz FELDHAXNTILUQV-NNQSOWQGSA-N 1 0 326.400 3.204 10 5 EGBERO O=[N+]([O-])c1sc(C[NH2+]CC[C@H]2CCCO2)cc1Br ZINC000602508481 459974372 /nfs/dbraw/zinc/97/43/72/459974372.db2.gz CFDUCZBQWCXSHW-MRVPVSSYSA-N 1 0 335.223 3.078 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602737634 460097564 /nfs/dbraw/zinc/09/75/64/460097564.db2.gz GOPPTMPDADFXSD-HDSBBYFRSA-N 1 0 344.333 3.101 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cccc1[N+](=O)[O-] ZINC000599073449 460152002 /nfs/dbraw/zinc/15/20/02/460152002.db2.gz DOUJIPPGPWQZHZ-ACJLOTCBSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@H]1C[N@H+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599072341 460152307 /nfs/dbraw/zinc/15/23/07/460152307.db2.gz CHGZWRJUCYXMLI-AWEZNQCLSA-N 1 0 344.415 3.056 10 5 EGBERO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599094678 460159383 /nfs/dbraw/zinc/15/93/83/460159383.db2.gz XRJFXSDDKXYOEY-DLBZAZTESA-N 1 0 343.427 3.060 10 5 EGBERO COC(=O)c1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000599166596 460183867 /nfs/dbraw/zinc/18/38/67/460183867.db2.gz YKHKJWPHPRZGDX-OAHLLOKOSA-N 1 0 347.415 3.119 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)o2)cc1 ZINC000599552627 460273182 /nfs/dbraw/zinc/27/31/82/460273182.db2.gz GQKMRFYJCRXMNQ-KGLIPLIRSA-N 1 0 346.412 3.115 10 5 EGBERO C[C@H]1CC[C@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623345 460418014 /nfs/dbraw/zinc/41/80/14/460418014.db2.gz ZAAQCPSCRFPNCA-UGSOOPFHSA-N 1 0 332.400 3.378 10 5 EGBERO Cc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601152175 460733912 /nfs/dbraw/zinc/73/39/12/460733912.db2.gz BLLBQNAGFMWUTF-SFHVURJKSA-N 1 0 332.375 3.126 10 5 EGBERO CC(=O)c1cc(N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601216631 460753984 /nfs/dbraw/zinc/75/39/84/460753984.db2.gz UDLFDVPBCXXWKL-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)C1CC1 ZINC000161421328 534887570 /nfs/dbraw/zinc/88/75/70/534887570.db2.gz JNGRAUDDGXKKLS-OALUTQOASA-N 1 0 340.423 3.282 10 5 EGBERO Cc1ncc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000105448511 546695491 /nfs/dbraw/zinc/69/54/91/546695491.db2.gz ABXPNMSCKRXQLL-UHFFFAOYSA-N 1 0 343.412 3.050 10 5 EGBERO CSCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727586752 574676839 /nfs/dbraw/zinc/67/68/39/574676839.db2.gz WTSODXVIUODARI-UHFFFAOYSA-N 1 0 349.378 3.099 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730788332 575020170 /nfs/dbraw/zinc/02/01/70/575020170.db2.gz ZIUYSTZHTBVNJT-TXEJJXNPSA-N 1 0 339.823 3.241 10 5 EGBERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000743718268 576815259 /nfs/dbraw/zinc/81/52/59/576815259.db2.gz MYVBIFHCGLIOFB-LBPRGKRZSA-N 1 0 339.823 3.195 10 5 EGBERO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872023257 1296666354 /nfs/dbraw/zinc/66/63/54/1296666354.db2.gz QSJXXMOJUDEFCI-SNVBAGLBSA-N 1 0 337.317 3.269 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072029 1296718239 /nfs/dbraw/zinc/71/82/39/1296718239.db2.gz CDQQOUYCVOLREL-RISCZKNCSA-N 1 0 336.338 3.127 10 5 EGBERO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075552 1296721377 /nfs/dbraw/zinc/72/13/77/1296721377.db2.gz DOCUNRBVGJTLKE-MQIPJXDCSA-N 1 0 348.378 3.038 10 5 EGBERO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872080685 1296722395 /nfs/dbraw/zinc/72/23/95/1296722395.db2.gz YCILHOIXDUSVFH-JSGCOSHPSA-N 1 0 348.374 3.169 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000872231478 1296834833 /nfs/dbraw/zinc/83/48/33/1296834833.db2.gz PMPKAFNCRNGQFT-CFVMTHIKSA-N 1 0 344.333 3.363 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886236360 1303408163 /nfs/dbraw/zinc/40/81/63/1303408163.db2.gz FQMUMLIMJFHEHB-INIZCTEOSA-N 1 0 332.375 3.044 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)O2)CO1 ZINC000886333442 1303436928 /nfs/dbraw/zinc/43/69/28/1303436928.db2.gz ILDRILNNMQQNDL-DJSGYFEHSA-N 1 0 340.807 3.064 10 5 EGBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000893023713 1305663643 /nfs/dbraw/zinc/66/36/43/1305663643.db2.gz HFSSJQKNCMOBSZ-CHWSQXEVSA-N 1 0 337.395 3.069 10 5 EGBERO O=c1[nH]c2ccc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2[nH]1 ZINC000893945927 1306139879 /nfs/dbraw/zinc/13/98/79/1306139879.db2.gz NSHJMBILHYMJEE-UHFFFAOYSA-N 1 0 338.367 3.341 10 5 EGBERO [NH3+][C@H]1CC[C@H](N(CCc2ccc([N+](=O)[O-])cc2)c2ccccn2)CC1 ZINC000895111180 1309195081 /nfs/dbraw/zinc/19/50/81/1309195081.db2.gz BBFYJMDLUZMETJ-QAQDUYKDSA-N 1 0 340.427 3.309 10 5 EGBERO Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000858038446 1328667920 /nfs/dbraw/zinc/66/79/20/1328667920.db2.gz MFTKSJKDXJDZNJ-INIZCTEOSA-N 1 0 327.384 3.260 10 5 EGBERO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858119022 1328687880 /nfs/dbraw/zinc/68/78/80/1328687880.db2.gz DFJSDNDAYWGRFU-UHFFFAOYSA-N 1 0 329.400 3.210 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000858128224 1328689689 /nfs/dbraw/zinc/68/96/89/1328689689.db2.gz FGDOIBPULKOESW-GFCCVEGCSA-N 1 0 346.330 3.498 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000858472891 1328771165 /nfs/dbraw/zinc/77/11/65/1328771165.db2.gz KCGPBIFMLMMRRC-LRDDRELGSA-N 1 0 330.384 3.169 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913280582 1318994038 /nfs/dbraw/zinc/99/40/38/1318994038.db2.gz FMESXABHKKNLDY-KDURUIRLSA-N 1 0 345.443 3.132 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859274558 1328959384 /nfs/dbraw/zinc/95/93/84/1328959384.db2.gz UDKUYKFJNORVIY-RYUDHWBXSA-N 1 0 339.823 3.241 10 5 EGBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859358688 1328974929 /nfs/dbraw/zinc/97/49/29/1328974929.db2.gz BSPPLRJDQQQDNV-QGZVFWFLSA-N 1 0 329.400 3.064 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925250735 1325097329 /nfs/dbraw/zinc/09/73/29/1325097329.db2.gz UNGIVGQWYAPBEO-CYBMUJFWSA-N 1 0 336.436 3.075 10 5 EGBERO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C23CCCC3)cc(C(F)(F)F)c1 ZINC000925657570 1325252496 /nfs/dbraw/zinc/25/24/96/1325252496.db2.gz CUWJXEOYMCSXFV-CQSZACIVSA-N 1 0 343.349 3.378 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)c2c1 ZINC000926440725 1325555600 /nfs/dbraw/zinc/55/56/00/1325555600.db2.gz RDWYIXJDMPMARL-DNVCBOLYSA-N 1 0 343.427 3.413 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926913778 1327772933 /nfs/dbraw/zinc/77/29/33/1327772933.db2.gz FRRIZQWYSSFGQH-PXWWUCIGSA-N 1 0 347.337 3.328 10 5 EGBERO CN(C)[C@@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000926959556 1327798071 /nfs/dbraw/zinc/79/80/71/1327798071.db2.gz BZSHXDSBKQSPIQ-GJZGRUSLSA-N 1 0 345.365 3.444 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000927075596 1327846228 /nfs/dbraw/zinc/84/62/28/1327846228.db2.gz GVONKZABYSSZKX-QAPCUYQASA-N 1 0 348.443 3.091 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000927141619 1327889388 /nfs/dbraw/zinc/88/93/88/1327889388.db2.gz XYSOGVBVENYJDM-RQUSPXKASA-N 1 0 344.386 3.303 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000865250694 1329679687 /nfs/dbraw/zinc/67/96/87/1329679687.db2.gz HTIMUMCADQJCID-UHFFFAOYSA-N 1 0 336.461 3.098 10 5 EGBERO C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000866099145 1330065509 /nfs/dbraw/zinc/06/55/09/1330065509.db2.gz ZROCXIQKPPEBNY-UHFFFAOYSA-N 1 0 340.811 3.196 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CF)CCOCC1 ZINC000866366966 1330102586 /nfs/dbraw/zinc/10/25/86/1330102586.db2.gz DRHDITWIWCRRMQ-LBPRGKRZSA-N 1 0 328.359 3.021 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866367244 1330102679 /nfs/dbraw/zinc/10/26/79/1330102679.db2.gz XDGXQBVSAUAQHB-NVXWUHKLSA-N 1 0 345.443 3.006 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000866383069 1330104460 /nfs/dbraw/zinc/10/44/60/1330104460.db2.gz DSCOHXXYEKCBOR-KPZWWZAWSA-N 1 0 336.407 3.460 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000866539877 1330123685 /nfs/dbraw/zinc/12/36/85/1330123685.db2.gz RJPNIKMFVLXCDO-OAHLLOKOSA-N 1 0 341.411 3.434 10 5 EGBERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001184840368 1387548143 /nfs/dbraw/zinc/54/81/43/1387548143.db2.gz ZHJIRBREEMKNHL-AWEZNQCLSA-N 1 0 343.431 3.315 10 5 EGBERO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001197468428 1368822115 /nfs/dbraw/zinc/82/21/15/1368822115.db2.gz KCEKLDMVYYQNPS-LBPRGKRZSA-N 1 0 340.807 3.413 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001197660586 1368867157 /nfs/dbraw/zinc/86/71/57/1368867157.db2.gz OOXWDYGDIMCKBE-LBPRGKRZSA-N 1 0 331.347 3.413 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3([C@@H]4CCCO4)CCC3)co2)cc1 ZINC001198704974 1369095664 /nfs/dbraw/zinc/09/56/64/1369095664.db2.gz FRMLAJPKHWNMJU-INIZCTEOSA-N 1 0 343.383 3.441 10 5 EGBERO CC(=O)N(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001283343043 1378827025 /nfs/dbraw/zinc/82/70/25/1378827025.db2.gz ANJQXBQTZYZKPD-UHFFFAOYSA-N 1 0 341.411 3.123 10 5 EGBERO O=[N+]([O-])c1sccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001162225680 1382660727 /nfs/dbraw/zinc/66/07/27/1382660727.db2.gz DLLOEFMROMWGGV-UHFFFAOYSA-N 1 0 333.413 3.275 10 5 EGBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001304166106 1383835982 /nfs/dbraw/zinc/83/59/82/1383835982.db2.gz QPLMCFPNOYFTRL-NSHDSACASA-N 1 0 342.380 3.362 10 5 EGBERO C[NH+](C)[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C12CCC2 ZINC001307165913 1383949130 /nfs/dbraw/zinc/94/91/30/1383949130.db2.gz VJIKTHAPHZBLFI-HZPDHXFCSA-N 1 0 326.400 3.428 10 5 EGBERO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001308101602 1384092953 /nfs/dbraw/zinc/09/29/53/1384092953.db2.gz YPIQTLJZKWGXNO-HNNXBMFYSA-N 1 0 325.840 3.410 10 5 EGBERO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171267297 1384482329 /nfs/dbraw/zinc/48/23/29/1384482329.db2.gz OCKLEUMKOUXWOS-ZBFHGGJFSA-N 1 0 348.443 3.437 10 5 EGBERO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001171841536 1384657806 /nfs/dbraw/zinc/65/78/06/1384657806.db2.gz PIPOVZGHNMZGIW-AWEZNQCLSA-N 1 0 332.322 3.259 10 5 EGBERO CC(C)(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001317077797 1384843510 /nfs/dbraw/zinc/84/35/10/1384843510.db2.gz QTPPPWDGLVHLCN-WKILWMFISA-N 1 0 345.443 3.158 10 5 EGBERO CC1(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001317111161 1384873172 /nfs/dbraw/zinc/87/31/72/1384873172.db2.gz TTXLEFZCOOXHCD-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO CC[N@H+](CCNC(=O)C1C(C)(C)C1(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001317475344 1385171486 /nfs/dbraw/zinc/17/14/86/1385171486.db2.gz MSDHPNAJZGZVKZ-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO CC[N@H+](CCNC(=O)CC1=CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317477831 1385174339 /nfs/dbraw/zinc/17/43/39/1385174339.db2.gz QJXRJFNIVLYMIN-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CCC[N@H+](CCNC(=O)C1=CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317542426 1385283441 /nfs/dbraw/zinc/28/34/41/1385283441.db2.gz XNWHHXPEWYNOAX-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001176035897 1385468875 /nfs/dbraw/zinc/46/88/75/1385468875.db2.gz GKBWVKXHILLLCQ-LBPRGKRZSA-N 1 0 341.367 3.087 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001176761196 1385687527 /nfs/dbraw/zinc/68/75/27/1385687527.db2.gz RAWHQJQKNFRMJO-QGZVFWFLSA-N 1 0 334.416 3.445 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001176941160 1385749434 /nfs/dbraw/zinc/74/94/34/1385749434.db2.gz ZAFZCYQTXQKFJH-RTBURBONSA-N 1 0 342.395 3.092 10 5 EGBERO O=C(C=C1CCCCC1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320985014 1386776205 /nfs/dbraw/zinc/77/62/05/1386776205.db2.gz JHRGQLNHGVTJDI-PLNGDYQASA-N 1 0 343.427 3.247 10 5 EGBERO C/C=C(/C)C(=O)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001698690167 1406335535 /nfs/dbraw/zinc/33/55/35/1406335535.db2.gz HOYSYFQQPGQHBD-CQPUUCJISA-N 1 0 345.443 3.279 10 5 EGBERO CC(C)=CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001698704789 1406346604 /nfs/dbraw/zinc/34/66/04/1406346604.db2.gz ALZASPQERXPQEY-WKILWMFISA-N 1 0 331.416 3.078 10 5 EGBERO CCC(CC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001330564364 1389456190 /nfs/dbraw/zinc/45/61/90/1389456190.db2.gz HXVXTUHCWPHRFT-SAZUREKKSA-N 1 0 333.432 3.015 10 5 EGBERO C[C@@H](NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001351357699 1391631151 /nfs/dbraw/zinc/63/11/51/1391631151.db2.gz AINOUJHOGWDWHC-CYBMUJFWSA-N 1 0 348.447 3.218 10 5 EGBERO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809153 1392170528 /nfs/dbraw/zinc/17/05/28/1392170528.db2.gz ZYCAFUZJCCAADS-YOEHRIQHSA-N 1 0 345.443 3.079 10 5 EGBERO C[N@H+](CCNC(=O)c1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001480937806 1393033058 /nfs/dbraw/zinc/03/30/58/1393033058.db2.gz SLZRSPNAFXTFEE-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CC=CC1 ZINC001502371569 1396198594 /nfs/dbraw/zinc/19/85/94/1396198594.db2.gz PSMAPHSPCQZFMN-UHFFFAOYSA-N 1 0 345.443 3.231 10 5 EGBERO CCC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691175967 1405113086 /nfs/dbraw/zinc/11/30/86/1405113086.db2.gz URCULCIOQQQYCM-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CCCC1 ZINC001691309962 1405202680 /nfs/dbraw/zinc/20/26/80/1405202680.db2.gz FXGZPIUPVZAVKA-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001691517334 1405316026 /nfs/dbraw/zinc/31/60/26/1405316026.db2.gz KMAJGTYFJKXRSV-WKILWMFISA-N 1 0 345.443 3.160 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1Cl ZINC001691567462 1405341556 /nfs/dbraw/zinc/34/15/56/1405341556.db2.gz RWSLQTRFCPDKBR-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)CCCC1 ZINC001700135932 1413553181 /nfs/dbraw/zinc/55/31/81/1413553181.db2.gz BLYGPNLDTAISKO-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCCCCC1 ZINC001713579157 1418382345 /nfs/dbraw/zinc/38/23/45/1418382345.db2.gz YSCIDLSZKALLDK-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C=C1CCCCC1 ZINC001715516868 1420202968 /nfs/dbraw/zinc/20/29/68/1420202968.db2.gz VKLVPAHMTWRWHR-UHFFFAOYSA-N 1 0 345.443 3.376 10 5 EGBERO CC1(C(=O)NCC2(C)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001733449287 1429660001 /nfs/dbraw/zinc/66/00/01/1429660001.db2.gz KFXVRKDENPQNIV-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C/C(=C/C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CC1 ZINC001724784618 1425151012 /nfs/dbraw/zinc/15/10/12/1425151012.db2.gz XBKDRGNYQVXVOU-UVTDQMKNSA-N 1 0 343.427 3.080 10 5 EGBERO CCC[N@H+](CCNC(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731863831 1428107604 /nfs/dbraw/zinc/10/76/04/1428107604.db2.gz OTKYTUQURNNIKM-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191410778 529405936 /nfs/dbraw/zinc/40/59/36/529405936.db2.gz PSYQVRNUVUQCKV-HUUCEWRRSA-N 1 0 346.431 3.302 10 5 EGBERO CC[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175906471 529629746 /nfs/dbraw/zinc/62/97/46/529629746.db2.gz JEODCKDXIRVWBV-WMLDXEAASA-N 1 0 348.447 3.077 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000132765100 529795921 /nfs/dbraw/zinc/79/59/21/529795921.db2.gz HXMFWQXPZAQBLL-MSOLQXFVSA-N 1 0 347.365 3.408 10 5 EGBERO COc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095432541 218375063 /nfs/dbraw/zinc/37/50/63/218375063.db2.gz PZBRCUUCGLBWSR-DYVFJYSZSA-N 1 0 330.384 3.330 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000184735188 144098416 /nfs/dbraw/zinc/09/84/16/144098416.db2.gz SBHLQEVBNZQHLV-OAHLLOKOSA-N 1 0 328.416 3.091 10 5 EGBERO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185603021 144116246 /nfs/dbraw/zinc/11/62/46/144116246.db2.gz KAPUVAABCWXJBK-DZGCQCFKSA-N 1 0 328.368 3.128 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000120167071 152257171 /nfs/dbraw/zinc/25/71/71/152257171.db2.gz URUMJDPJMXVAFN-DZGCQCFKSA-N 1 0 334.420 3.062 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([N+](=O)[O-])c1 ZINC000194509998 153340436 /nfs/dbraw/zinc/34/04/36/153340436.db2.gz GXQCJAYPEMHDKM-JZXOWHBKSA-N 1 0 339.351 3.179 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000345011639 155894660 /nfs/dbraw/zinc/89/46/60/155894660.db2.gz LDHDMXNVXMWVQN-YERXGYGTSA-N 1 0 340.379 3.428 10 5 EGBERO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368653951 157253880 /nfs/dbraw/zinc/25/38/80/157253880.db2.gz WKUYMRINXQKUOL-OAHLLOKOSA-N 1 0 349.431 3.062 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000372772489 157380151 /nfs/dbraw/zinc/38/01/51/157380151.db2.gz KYLKBSLPELCRGM-INIZCTEOSA-N 1 0 328.416 3.328 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093690743 162022803 /nfs/dbraw/zinc/02/28/03/162022803.db2.gz TVSWVFFSPHDGNS-UKINESCASA-N 1 0 325.368 3.156 10 5 EGBERO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000248620229 163022518 /nfs/dbraw/zinc/02/25/18/163022518.db2.gz MIZZHGRDTQOUKJ-IAGOWNOFSA-N 1 0 346.383 3.205 10 5 EGBERO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350111987 165006159 /nfs/dbraw/zinc/00/61/59/165006159.db2.gz CNLYAXMVUZLLES-KRWDZBQOSA-N 1 0 334.395 3.130 10 5 EGBERO CC(C)(C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000352406588 165385358 /nfs/dbraw/zinc/38/53/58/165385358.db2.gz MQFFZXMKJCUTBW-UHFFFAOYSA-N 1 0 345.443 3.006 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000359081551 167061452 /nfs/dbraw/zinc/06/14/52/167061452.db2.gz JSIVDXVUROGRRR-UHFFFAOYSA-N 1 0 344.415 3.159 10 5 EGBERO CCOc1ccc(NC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177545301 265261288 /nfs/dbraw/zinc/26/12/88/265261288.db2.gz DIGMHXNQEYGQGX-ZIAGYGMSSA-N 1 0 347.415 3.054 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000275769451 267423919 /nfs/dbraw/zinc/42/39/19/267423919.db2.gz GSRRJKBVDKGRQZ-OLZOCXBDSA-N 1 0 339.823 3.159 10 5 EGBERO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000357035003 275041815 /nfs/dbraw/zinc/04/18/15/275041815.db2.gz HUIIHNGFZYVHKH-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000278725459 275269180 /nfs/dbraw/zinc/26/91/80/275269180.db2.gz PIOHBZRJFUEGIM-UHFFFAOYSA-N 1 0 347.806 3.115 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000289438169 276339193 /nfs/dbraw/zinc/33/91/93/276339193.db2.gz AIYZGOMWWWEJBR-RBUKOAKNSA-N 1 0 326.396 3.159 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000289760179 276389667 /nfs/dbraw/zinc/38/96/67/276389667.db2.gz KLQPAQYAEMOOBN-INIZCTEOSA-N 1 0 346.431 3.249 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)cs1 ZINC000292888134 308076579 /nfs/dbraw/zinc/07/65/79/308076579.db2.gz FMIDCPRDZOPCMX-UHFFFAOYSA-N 1 0 331.319 3.402 10 5 EGBERO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000294839206 308262784 /nfs/dbraw/zinc/26/27/84/308262784.db2.gz QYDRCMUXEKXPQZ-LBPRGKRZSA-N 1 0 329.194 3.014 10 5 EGBERO CC(C)c1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000414562809 309089633 /nfs/dbraw/zinc/08/96/33/309089633.db2.gz VOQKFQRINQGMBC-OAHLLOKOSA-N 1 0 333.432 3.207 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000295388913 308321802 /nfs/dbraw/zinc/32/18/02/308321802.db2.gz QSVWFRYONQPUFN-UHFFFAOYSA-N 1 0 345.374 3.329 10 5 EGBERO O=[N+]([O-])c1ccc2ccnc(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000413059785 309013943 /nfs/dbraw/zinc/01/39/43/309013943.db2.gz HBQOOSNWJJOZHU-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415698605 309141309 /nfs/dbraw/zinc/14/13/09/309141309.db2.gz XHDOBHQIGQFDJH-UHFFFAOYSA-N 1 0 334.420 3.156 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000442997612 309893292 /nfs/dbraw/zinc/89/32/92/309893292.db2.gz ZHVDXCMWRGBOOI-GOSISDBHSA-N 1 0 345.443 3.317 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419011 310060444 /nfs/dbraw/zinc/06/04/44/310060444.db2.gz GKSCSXZOLAEASY-RBUKOAKNSA-N 1 0 344.386 3.203 10 5 EGBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429885 310061212 /nfs/dbraw/zinc/06/12/12/310061212.db2.gz VIEPXGVAWRRBMV-CJNGLKHVSA-N 1 0 347.440 3.311 10 5 EGBERO CC[C@@H](C)[NH2+][C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000450527951 310128388 /nfs/dbraw/zinc/12/83/88/310128388.db2.gz IXQDKMNYKWLBQW-IAQYHMDHSA-N 1 0 343.387 3.027 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000452095378 310211930 /nfs/dbraw/zinc/21/19/30/310211930.db2.gz WCBUVBPQXWETGZ-ZDUSSCGKSA-N 1 0 343.383 3.201 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCC2CCOCC2)n1 ZINC000453227574 310265327 /nfs/dbraw/zinc/26/53/27/310265327.db2.gz FVZMTYFAMSBXGC-HOTGVXAUSA-N 1 0 336.436 3.071 10 5 EGBERO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Cl)Cc2ccccc2C1 ZINC000462889650 310607342 /nfs/dbraw/zinc/60/73/42/310607342.db2.gz USJZTNFYVNEAOI-UHFFFAOYSA-N 1 0 346.818 3.154 10 5 EGBERO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000484643850 310967839 /nfs/dbraw/zinc/96/78/39/310967839.db2.gz DTMNLFVEMGAUHD-MSOLQXFVSA-N 1 0 344.415 3.080 10 5 EGBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000489831250 311122220 /nfs/dbraw/zinc/12/22/20/311122220.db2.gz LRNJCMWGVGPQPM-UHFFFAOYSA-N 1 0 331.338 3.053 10 5 EGBERO COC(=O)c1ccc(F)c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000511174343 312156363 /nfs/dbraw/zinc/15/63/63/312156363.db2.gz ODOLIGQWOSRYRZ-NSHDSACASA-N 1 0 332.331 3.371 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC34CCOCC4)c2c1 ZINC000516890875 312348311 /nfs/dbraw/zinc/34/83/11/312348311.db2.gz UFGYZEGAJANWAW-KRWDZBQOSA-N 1 0 329.400 3.167 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000527288899 312850694 /nfs/dbraw/zinc/85/06/94/312850694.db2.gz JARQCKSYDBJRPV-OQLLNIDSSA-N 1 0 338.407 3.118 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000531955545 313735984 /nfs/dbraw/zinc/73/59/84/313735984.db2.gz WSZAZFWMSMSHNY-LSDHHAIUSA-N 1 0 341.415 3.013 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000539609803 314323516 /nfs/dbraw/zinc/32/35/16/314323516.db2.gz MRGVPYUOHRZTFZ-ZIAGYGMSSA-N 1 0 328.368 3.394 10 5 EGBERO COc1cc(C[NH2+]C2(c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000539808787 314340939 /nfs/dbraw/zinc/34/09/39/314340939.db2.gz WUMWIIFFNBCVID-UHFFFAOYSA-N 1 0 342.395 3.399 10 5 EGBERO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000551748877 315166454 /nfs/dbraw/zinc/16/64/54/315166454.db2.gz FIFYMAHIGAAFMA-WFASDCNBSA-N 1 0 348.424 3.166 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000561714920 315778198 /nfs/dbraw/zinc/77/81/98/315778198.db2.gz MEYMZYSCXORBRZ-UHFFFAOYSA-N 1 0 347.459 3.250 10 5 EGBERO C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000564700331 316189370 /nfs/dbraw/zinc/18/93/70/316189370.db2.gz XXNGMKYYIPFPMT-AWEZNQCLSA-N 1 0 333.432 3.079 10 5 EGBERO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(C)c1 ZINC000565797873 316371240 /nfs/dbraw/zinc/37/12/40/316371240.db2.gz CNVOOKPSIZXTKV-MRXNPFEDSA-N 1 0 327.388 3.093 10 5 EGBERO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000182278195 323538581 /nfs/dbraw/zinc/53/85/81/323538581.db2.gz URBBJZMIGKZLPB-LBPRGKRZSA-N 1 0 330.340 3.053 10 5 EGBERO O=C(CC[NH2+]C[C@@H]1CC12CCSCC2)Nc1ccccc1[N+](=O)[O-] ZINC000577216744 324765863 /nfs/dbraw/zinc/76/58/63/324765863.db2.gz SLWRRABFUAQNBY-ZDUSSCGKSA-N 1 0 349.456 3.046 10 5 EGBERO COc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000066796451 453874290 /nfs/dbraw/zinc/87/42/90/453874290.db2.gz DXMPAIRWBGVEDU-QGZVFWFLSA-N 1 0 342.399 3.247 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000066810952 453875665 /nfs/dbraw/zinc/87/56/65/453875665.db2.gz HDIBNBCANQHZIE-INIZCTEOSA-N 1 0 326.400 3.314 10 5 EGBERO Cc1sc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067267865 453915548 /nfs/dbraw/zinc/91/55/48/453915548.db2.gz GHYNMUWVRQCBGA-HNNXBMFYSA-N 1 0 347.440 3.306 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884649 455394163 /nfs/dbraw/zinc/39/41/63/455394163.db2.gz JBYBGKVHQQZZLY-LPHOPBHVSA-N 1 0 346.427 3.157 10 5 EGBERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000072059018 454270439 /nfs/dbraw/zinc/27/04/39/454270439.db2.gz UCKWDXMUCZFMBF-HNNXBMFYSA-N 1 0 342.395 3.406 10 5 EGBERO CC[C@H](NC(=O)NCCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090511940 454314025 /nfs/dbraw/zinc/31/40/25/454314025.db2.gz YZPVWBRDDBMYAY-INIZCTEOSA-N 1 0 336.436 3.077 10 5 EGBERO CC[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684694 454335479 /nfs/dbraw/zinc/33/54/79/454335479.db2.gz YUPCVAGZNSGIDB-YOEHRIQHSA-N 1 0 348.447 3.029 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212462 454685933 /nfs/dbraw/zinc/68/59/33/454685933.db2.gz GKVXOCYQXVNHRQ-MRXNPFEDSA-N 1 0 344.415 3.070 10 5 EGBERO CC(C)c1csc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176263018 454719157 /nfs/dbraw/zinc/71/91/57/454719157.db2.gz KNEJQJHVPKORKL-ZDUSSCGKSA-N 1 0 349.460 3.251 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176725071 454776199 /nfs/dbraw/zinc/77/61/99/454776199.db2.gz VBNWDIWLRUOPQD-YCPHGPKFSA-N 1 0 348.447 3.088 10 5 EGBERO Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000115415628 455013777 /nfs/dbraw/zinc/01/37/77/455013777.db2.gz OLWYXPKDUBBFIQ-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180501236 455184498 /nfs/dbraw/zinc/18/44/98/455184498.db2.gz IEEBMAJGEHJLLB-UKRRQHHQSA-N 1 0 343.431 3.284 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246073580 455421727 /nfs/dbraw/zinc/42/17/27/455421727.db2.gz IUFYQUSJYJQXMN-DZGCQCFKSA-N 1 0 341.415 3.462 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000184786699 455448765 /nfs/dbraw/zinc/44/87/65/455448765.db2.gz WXPWEFXOESAZJU-HOCLYGCPSA-N 1 0 335.448 3.010 10 5 EGBERO CN1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000283867335 455605747 /nfs/dbraw/zinc/60/57/47/455605747.db2.gz DKYGDAXOZSBOQY-MOPGFXCFSA-N 1 0 325.412 3.172 10 5 EGBERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192635932 455659038 /nfs/dbraw/zinc/65/90/38/455659038.db2.gz APIZOBSDKMGCIW-GOSISDBHSA-N 1 0 328.416 3.155 10 5 EGBERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248062678 455677506 /nfs/dbraw/zinc/67/75/06/455677506.db2.gz PJEUIEBXSRCTIV-AEFFLSMTSA-N 1 0 339.395 3.078 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000252675244 455828100 /nfs/dbraw/zinc/82/81/00/455828100.db2.gz YVYNKRPZQSRGKN-PWSUYJOCSA-N 1 0 340.221 3.030 10 5 EGBERO CNc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000253398518 455840620 /nfs/dbraw/zinc/84/06/20/455840620.db2.gz BTBKNRXFNYZHKT-IAOVAPTHSA-N 1 0 331.416 3.074 10 5 EGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764846 455873825 /nfs/dbraw/zinc/87/38/25/455873825.db2.gz AIICQQSRKUISSK-IMXKFXGHSA-N 1 0 326.400 3.278 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187268848 455888844 /nfs/dbraw/zinc/88/88/44/455888844.db2.gz OFKGBYQBBLMFCW-KBXCAEBGSA-N 1 0 341.411 3.324 10 5 EGBERO CC[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272665752 456031117 /nfs/dbraw/zinc/03/11/17/456031117.db2.gz OADFNRKESWZLLK-MRXNPFEDSA-N 1 0 348.447 3.077 10 5 EGBERO C[C@@H]1C[C@@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301411798 456109667 /nfs/dbraw/zinc/10/96/67/456109667.db2.gz KJXWKHSMLMCVCY-PWSUYJOCSA-N 1 0 342.237 3.276 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000301451511 456119193 /nfs/dbraw/zinc/11/91/93/456119193.db2.gz XLVNDQNDLGWRHR-BBRMVZONSA-N 1 0 328.416 3.310 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)s2)cc1 ZINC000263815809 456231559 /nfs/dbraw/zinc/23/15/59/456231559.db2.gz OMLQLWYZJJOLKP-ZDUSSCGKSA-N 1 0 346.330 3.336 10 5 EGBERO O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000302078466 456281694 /nfs/dbraw/zinc/28/16/94/456281694.db2.gz ZGWYXMCMRQANPT-HNNXBMFYSA-N 1 0 333.432 3.296 10 5 EGBERO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000302115426 456291567 /nfs/dbraw/zinc/29/15/67/456291567.db2.gz BULIZAVZZADMAE-UHFFFAOYSA-N 1 0 341.411 3.467 10 5 EGBERO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000302853789 456417348 /nfs/dbraw/zinc/41/73/48/456417348.db2.gz KBUYLGPVTTWENZ-UHFFFAOYSA-N 1 0 329.375 3.099 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H]1n1cccn1 ZINC000340537227 456518129 /nfs/dbraw/zinc/51/81/29/456518129.db2.gz LIBPIZXKMRRRNM-SIUPPRGNSA-N 1 0 344.415 3.169 10 5 EGBERO CCc1nn(C)c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000340861092 456726366 /nfs/dbraw/zinc/72/63/66/456726366.db2.gz DCWHSFIJYIMLCD-CQSZACIVSA-N 1 0 345.403 3.020 10 5 EGBERO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299654272 456754710 /nfs/dbraw/zinc/75/47/10/456754710.db2.gz PGKBHQAQFSJXJA-UHFFFAOYSA-N 1 0 347.459 3.487 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000342265874 457199888 /nfs/dbraw/zinc/19/98/88/457199888.db2.gz BIPWHSUQNWHIJD-LBPRGKRZSA-N 1 0 331.347 3.413 10 5 EGBERO Cn1cc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000342339314 457244316 /nfs/dbraw/zinc/24/43/16/457244316.db2.gz OKRYRQXFAJWPBY-INIZCTEOSA-N 1 0 332.404 3.084 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000354533862 457274982 /nfs/dbraw/zinc/27/49/82/457274982.db2.gz LKXDKLULHRFXND-ZBFHGGJFSA-N 1 0 333.432 3.345 10 5 EGBERO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373906680 457394986 /nfs/dbraw/zinc/39/49/86/457394986.db2.gz UAFIJWDDLBGGGA-SJORKVTESA-N 1 0 345.443 3.174 10 5 EGBERO COc1ccc(OC)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352549639 457459409 /nfs/dbraw/zinc/45/94/09/457459409.db2.gz FBLDHESCTUSTAN-UHFFFAOYSA-N 1 0 330.384 3.287 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374211086 457523749 /nfs/dbraw/zinc/52/37/49/457523749.db2.gz XOPWGTVLWOBCGW-UHFFFAOYSA-N 1 0 330.388 3.096 10 5 EGBERO CC(C)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000347603490 457544098 /nfs/dbraw/zinc/54/40/98/457544098.db2.gz CWRPKXMJECFNOW-CQSZACIVSA-N 1 0 335.429 3.195 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000375078644 457783668 /nfs/dbraw/zinc/78/36/68/457783668.db2.gz CTECJARFECKCTJ-FUHWJXTLSA-N 1 0 347.365 3.408 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361894373 457938568 /nfs/dbraw/zinc/93/85/68/457938568.db2.gz OOJJAFGROJVZMA-SQWLQELKSA-N 1 0 334.416 3.288 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412049841 458067621 /nfs/dbraw/zinc/06/76/21/458067621.db2.gz XARGCIHSEHEBAH-NWDGAFQWSA-N 1 0 335.404 3.051 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059401 458075160 /nfs/dbraw/zinc/07/51/60/458075160.db2.gz XEKFGQGUWMHNNU-GOEBONIOSA-N 1 0 331.416 3.133 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000431077823 458526792 /nfs/dbraw/zinc/52/67/92/458526792.db2.gz QRXCDNWLQZFBFD-LPXQKFACSA-N 1 0 347.415 3.099 10 5 EGBERO COC(=O)c1cc(NC2CC([NH+]3CCCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000373669282 458569924 /nfs/dbraw/zinc/56/99/24/458569924.db2.gz BJFNPORIGMVDPT-UHFFFAOYSA-N 1 0 347.415 3.119 10 5 EGBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548126344 458841740 /nfs/dbraw/zinc/84/17/40/458841740.db2.gz AKADDBGENXSORQ-ZDUSSCGKSA-N 1 0 339.823 3.195 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000475160833 458926840 /nfs/dbraw/zinc/92/68/40/458926840.db2.gz ZCSBKBQUNQWYKO-RYQLBKOJSA-N 1 0 336.432 3.139 10 5 EGBERO COc1c(C)cccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594513042 459070977 /nfs/dbraw/zinc/07/09/77/459070977.db2.gz ZQDNWKKSZBPAEN-HZPDHXFCSA-N 1 0 344.415 3.382 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000594999542 459210363 /nfs/dbraw/zinc/21/03/63/459210363.db2.gz UVTKEXXSBMDHBB-IBGZPJMESA-N 1 0 325.412 3.267 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000595099883 459245628 /nfs/dbraw/zinc/24/56/28/459245628.db2.gz PRWBWBHIAQRWIC-CQSZACIVSA-N 1 0 333.432 3.380 10 5 EGBERO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482008399 459285476 /nfs/dbraw/zinc/28/54/76/459285476.db2.gz MFRYBHVUSNVVJX-DOTOQJQBSA-N 1 0 340.427 3.355 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000595739092 459419750 /nfs/dbraw/zinc/41/97/50/459419750.db2.gz SWYGOHREWZEUIZ-RCCFBDPRSA-N 1 0 346.427 3.191 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000595786237 459439635 /nfs/dbraw/zinc/43/96/35/459439635.db2.gz HAQRUAUTVDWFES-DOTOQJQBSA-N 1 0 334.416 3.385 10 5 EGBERO Cc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582884820 459444194 /nfs/dbraw/zinc/44/41/94/459444194.db2.gz JGKLROYFZIXOKI-OAHLLOKOSA-N 1 0 341.411 3.405 10 5 EGBERO COc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000562080497 459510583 /nfs/dbraw/zinc/51/05/83/459510583.db2.gz CWFSORSSCBGWNA-OAHLLOKOSA-N 1 0 328.368 3.005 10 5 EGBERO CSCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130735 459530336 /nfs/dbraw/zinc/53/03/36/459530336.db2.gz LITMQHFWAQIRPW-WKILWMFISA-N 1 0 338.473 3.453 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596169453 459545565 /nfs/dbraw/zinc/54/55/65/459545565.db2.gz XJKRPWQENMQIBF-CYBMUJFWSA-N 1 0 336.436 3.075 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1SC ZINC000592396930 459591327 /nfs/dbraw/zinc/59/13/27/459591327.db2.gz YNNRPRVEPDVNGD-VQHPVUNQSA-N 1 0 336.457 3.471 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596309371 459592131 /nfs/dbraw/zinc/59/21/31/459592131.db2.gz ZYQIDIPXILPEKX-LLVKDONJSA-N 1 0 329.347 3.481 10 5 EGBERO Cc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596314266 459593284 /nfs/dbraw/zinc/59/32/84/459593284.db2.gz BSPVOLHKGVOYDK-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479426 459609844 /nfs/dbraw/zinc/60/98/44/459609844.db2.gz YAKHRJFKSFKHED-QAPCUYQASA-N 1 0 347.459 3.346 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000542970544 459615155 /nfs/dbraw/zinc/61/51/55/459615155.db2.gz FDIFADDLAOLJML-CQSZACIVSA-N 1 0 349.431 3.161 10 5 EGBERO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131186 459625531 /nfs/dbraw/zinc/62/55/31/459625531.db2.gz FGJNHHPPXDEVEB-CABCVRRESA-N 1 0 336.432 3.235 10 5 EGBERO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131187 459625842 /nfs/dbraw/zinc/62/58/42/459625842.db2.gz FGJNHHPPXDEVEB-GJZGRUSLSA-N 1 0 336.432 3.235 10 5 EGBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000596458608 459644129 /nfs/dbraw/zinc/64/41/29/459644129.db2.gz UHGVFIGRNAXRQX-LBPRGKRZSA-N 1 0 340.811 3.196 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000544593564 459770984 /nfs/dbraw/zinc/77/09/84/459770984.db2.gz GNOWDIRNWZTPOU-UHFFFAOYSA-N 1 0 347.459 3.468 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000584680062 459782747 /nfs/dbraw/zinc/78/27/47/459782747.db2.gz KEQATRISGXGOAD-AWEZNQCLSA-N 1 0 331.372 3.445 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000593189598 459802105 /nfs/dbraw/zinc/80/21/05/459802105.db2.gz VGEGUMWZJFYADK-UHFFFAOYSA-N 1 0 336.436 3.311 10 5 EGBERO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[C@H]1O ZINC000597206772 459877834 /nfs/dbraw/zinc/87/78/34/459877834.db2.gz VQDQQRXUXVFERV-MCBXIFIFSA-N 1 0 330.384 3.304 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597213828 459880362 /nfs/dbraw/zinc/88/03/62/459880362.db2.gz IANHHWFHVBKQMB-KDOFPFPSSA-N 1 0 344.455 3.447 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(C)C3)o2)c([N+](=O)[O-])c1 ZINC000608836132 459888918 /nfs/dbraw/zinc/88/89/18/459888918.db2.gz RBBIOGDWMYHZNV-CYBMUJFWSA-N 1 0 345.399 3.047 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C2CCCC2)CC1 ZINC000593456581 459894279 /nfs/dbraw/zinc/89/42/79/459894279.db2.gz DXJZEAKUFUKEHO-UHFFFAOYSA-N 1 0 326.400 3.208 10 5 EGBERO CC(C)(C)c1n[nH]cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588933638 460007806 /nfs/dbraw/zinc/00/78/06/460007806.db2.gz NKOZNQVVDFFPJQ-UHFFFAOYSA-N 1 0 341.415 3.429 10 5 EGBERO C[C@@H]1C[NH+](Cc2cccc(Nc3cccnc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000609964521 460042373 /nfs/dbraw/zinc/04/23/73/460042373.db2.gz OXEGRZXGQZSBMM-ZIAGYGMSSA-N 1 0 342.399 3.343 10 5 EGBERO Cc1nc(C)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000589254784 460062827 /nfs/dbraw/zinc/06/28/27/460062827.db2.gz OXGWMEDMZATMHG-UHFFFAOYSA-N 1 0 331.372 3.243 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000589496348 460094778 /nfs/dbraw/zinc/09/47/78/460094778.db2.gz RBXZGPNMCOEFCL-MRXNPFEDSA-N 1 0 340.379 3.371 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H](SC)C2)c1 ZINC000589505921 460096726 /nfs/dbraw/zinc/09/67/26/460096726.db2.gz RESWPWWODPEVIM-AWEZNQCLSA-N 1 0 338.429 3.099 10 5 EGBERO Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599060033 460145107 /nfs/dbraw/zinc/14/51/07/460145107.db2.gz LPIRBPJJEPETNS-GFCCVEGCSA-N 1 0 340.305 3.124 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000599078862 460153496 /nfs/dbraw/zinc/15/34/96/460153496.db2.gz GNFPMXSOQWCTAC-LBPRGKRZSA-N 1 0 341.367 3.199 10 5 EGBERO CSC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000599084668 460156132 /nfs/dbraw/zinc/15/61/32/460156132.db2.gz DWHFBYLZPPLDLK-UHFFFAOYSA-N 1 0 346.456 3.382 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC12CC2 ZINC000599091231 460157846 /nfs/dbraw/zinc/15/78/46/460157846.db2.gz IHSSWWYGUQMARY-ZIAGYGMSSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1c(NCc2nnc(C3CC3)s2)ccc2cnccc21 ZINC000599092870 460159361 /nfs/dbraw/zinc/15/93/61/460159361.db2.gz QUIXJFPSIXACTK-UHFFFAOYSA-N 1 0 327.369 3.484 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599127941 460168913 /nfs/dbraw/zinc/16/89/13/460168913.db2.gz RCZRBIJCOXOEKH-LBPRGKRZSA-N 1 0 347.444 3.418 10 5 EGBERO CCC1([NH+]2CCOCC2)CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000599183501 460191264 /nfs/dbraw/zinc/19/12/64/460191264.db2.gz QGTAHTMSQGMITC-UHFFFAOYSA-N 1 0 339.461 3.046 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000610830967 460245340 /nfs/dbraw/zinc/24/53/40/460245340.db2.gz RQQPFQXCACKZRD-KGLIPLIRSA-N 1 0 342.399 3.100 10 5 EGBERO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599630581 460293128 /nfs/dbraw/zinc/29/31/28/460293128.db2.gz SNURXQRWILZDJS-MRXNPFEDSA-N 1 0 332.379 3.199 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000611258695 460320617 /nfs/dbraw/zinc/32/06/17/460320617.db2.gz DTFHFKWVCBORRK-UHFFFAOYSA-N 1 0 327.384 3.248 10 5 EGBERO CN1CCC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518740 460386073 /nfs/dbraw/zinc/38/60/73/460386073.db2.gz MVQPNVQESIBWNH-PKOBYXMFSA-N 1 0 325.412 3.368 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000611616869 460414883 /nfs/dbraw/zinc/41/48/83/460414883.db2.gz RDCKVCAUJANREU-UHFFFAOYSA-N 1 0 332.448 3.309 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)o2)c1 ZINC000600207667 460440564 /nfs/dbraw/zinc/44/05/64/460440564.db2.gz LNZGYQAGNFUABD-HNAYVOBHSA-N 1 0 342.395 3.449 10 5 EGBERO CC1([NH+]2CCCC2)CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000601216644 460753405 /nfs/dbraw/zinc/75/34/05/460753405.db2.gz UIHZJUMGICVILG-UHFFFAOYSA-N 1 0 347.444 3.054 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(F)F ZINC000601299899 460781576 /nfs/dbraw/zinc/78/15/76/460781576.db2.gz VKOHPAWSKHFWMZ-ZYHUDNBSSA-N 1 0 334.388 3.071 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601744436 460887847 /nfs/dbraw/zinc/88/78/47/460887847.db2.gz LUSFZKMYZSMVIE-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732578857 575278006 /nfs/dbraw/zinc/27/80/06/575278006.db2.gz ZWINYLUCCCUWMU-VXGBXAGGSA-N 1 0 339.823 3.241 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000870991375 1296168594 /nfs/dbraw/zinc/16/85/94/1296168594.db2.gz FMFPONDZCFTPAE-MRXNPFEDSA-N 1 0 339.823 3.085 10 5 EGBERO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872017609 1296657398 /nfs/dbraw/zinc/65/73/98/1296657398.db2.gz CYFJTIFYXDIPPQ-CYBMUJFWSA-N 1 0 337.395 3.177 10 5 EGBERO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872022222 1296664603 /nfs/dbraw/zinc/66/46/03/1296664603.db2.gz HVIQSCDQXODRLC-GFCCVEGCSA-N 1 0 325.384 3.033 10 5 EGBERO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872022370 1296665768 /nfs/dbraw/zinc/66/57/68/1296665768.db2.gz YEDITTXHYVXOFX-MEDUHNTESA-N 1 0 334.347 3.127 10 5 EGBERO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035056 1296683899 /nfs/dbraw/zinc/68/38/99/1296683899.db2.gz KIWQLEBQLREOAT-BZNIZROVSA-N 1 0 334.347 3.127 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075403 1296721216 /nfs/dbraw/zinc/72/12/16/1296721216.db2.gz AMIJZWIOVPVTCQ-ZOWXZIJZSA-N 1 0 348.378 3.038 10 5 EGBERO COCC(C)(C)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000872104400 1296731887 /nfs/dbraw/zinc/73/18/87/1296731887.db2.gz CZEFDZVDYOBTMW-MRXNPFEDSA-N 1 0 346.431 3.070 10 5 EGBERO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129481 1296754826 /nfs/dbraw/zinc/75/48/26/1296754826.db2.gz BFFHAQPCWMNPPK-OAHLLOKOSA-N 1 0 340.427 3.305 10 5 EGBERO O=[N+]([O-])c1c(Cl)nccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710565930 1298256226 /nfs/dbraw/zinc/25/62/26/1298256226.db2.gz MLRHXSVBAFBUSD-ZDUSSCGKSA-N 1 0 333.775 3.297 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879671747 1300668372 /nfs/dbraw/zinc/66/83/72/1300668372.db2.gz OCKCQXCZDGPJMN-MGPQQGTHSA-N 1 0 330.306 3.115 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000882679514 1302055569 /nfs/dbraw/zinc/05/55/69/1302055569.db2.gz NAHHQIDKQOMFHO-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)O2)CO1 ZINC000886333444 1303438333 /nfs/dbraw/zinc/43/83/33/1303438333.db2.gz ILDRILNNMQQNDL-XFJVYGCCSA-N 1 0 340.807 3.064 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000895801242 1309527115 /nfs/dbraw/zinc/52/71/15/1309527115.db2.gz ZFRFTPRXPGERMO-GOSISDBHSA-N 1 0 348.443 3.093 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)O2)CO1 ZINC000895819508 1309535101 /nfs/dbraw/zinc/53/51/01/1309535101.db2.gz KKLJHCBQMJQATN-FFSVYQOJSA-N 1 0 340.807 3.064 10 5 EGBERO Cc1ccc(O[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858011109 1328656296 /nfs/dbraw/zinc/65/62/96/1328656296.db2.gz KDWOIFWYOQRIQV-UKINESCASA-N 1 0 339.395 3.465 10 5 EGBERO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccns1 ZINC000858577488 1328798164 /nfs/dbraw/zinc/79/81/64/1328798164.db2.gz QKBGVAVKRXOUJX-LBPRGKRZSA-N 1 0 332.429 3.371 10 5 EGBERO COC/C(C)=C\C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000930810759 1328977523 /nfs/dbraw/zinc/97/75/23/1328977523.db2.gz SILODRGDIWVXGW-LWDLHHHYSA-N 1 0 348.443 3.293 10 5 EGBERO Cc1nn(C)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000922133977 1322462800 /nfs/dbraw/zinc/46/28/00/1322462800.db2.gz NOJXDALKVUKCOM-UHFFFAOYSA-N 1 0 347.806 3.104 10 5 EGBERO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 ZINC000922543978 1322552637 /nfs/dbraw/zinc/55/26/37/1322552637.db2.gz VYFGNYXSCPAUGD-GFCCVEGCSA-N 1 0 344.367 3.225 10 5 EGBERO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931297004 1329088352 /nfs/dbraw/zinc/08/83/52/1329088352.db2.gz QTZLZRUTOOHLDG-UHFFFAOYSA-N 1 0 342.827 3.300 10 5 EGBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000925383873 1325136640 /nfs/dbraw/zinc/13/66/40/1325136640.db2.gz YNVUFPVVBKXSHL-ZDUSSCGKSA-N 1 0 330.388 3.246 10 5 EGBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000925894008 1325347195 /nfs/dbraw/zinc/34/71/95/1325347195.db2.gz QIRBYTYTZIZEQB-CQSZACIVSA-N 1 0 346.431 3.228 10 5 EGBERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000926112908 1325434003 /nfs/dbraw/zinc/43/40/03/1325434003.db2.gz IWHCRZYFSCSSME-SNVBAGLBSA-N 1 0 337.811 3.061 10 5 EGBERO C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926906051 1327768764 /nfs/dbraw/zinc/76/87/64/1327768764.db2.gz SFPZQEUOHGAMCZ-DRCTWCGVSA-N 1 0 347.337 3.328 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1CC1 ZINC000926940782 1327786005 /nfs/dbraw/zinc/78/60/05/1327786005.db2.gz VUZMHLIELAKFPR-XWTMOSNGSA-N 1 0 328.412 3.097 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC1CCOCC1)CCCC2 ZINC000927076695 1327845669 /nfs/dbraw/zinc/84/56/69/1327845669.db2.gz MCZJAFXILUUJHI-SFHVURJKSA-N 1 0 334.416 3.148 10 5 EGBERO Cc1cccc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000928013716 1328173078 /nfs/dbraw/zinc/17/30/78/1328173078.db2.gz FOJMGWSKCRAKEZ-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c2)c1 ZINC000863295178 1329544600 /nfs/dbraw/zinc/54/46/00/1329544600.db2.gz UPDVCWBTMQMWLP-SJORKVTESA-N 1 0 344.440 3.386 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000863582593 1329564327 /nfs/dbraw/zinc/56/43/27/1329564327.db2.gz ONNQGQDPWQNVIN-DZOHQFGASA-N 1 0 344.798 3.210 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCSC1 ZINC000866401933 1330107183 /nfs/dbraw/zinc/10/71/83/1330107183.db2.gz GPMDTRKFGNINDX-CHWSQXEVSA-N 1 0 337.445 3.045 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000866539785 1330123903 /nfs/dbraw/zinc/12/39/03/1330123903.db2.gz GOQHIEQRRCHAJU-AWEZNQCLSA-N 1 0 341.411 3.456 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000868157825 1330256322 /nfs/dbraw/zinc/25/63/22/1330256322.db2.gz IKBOBOYFVCIQBW-LSDHHAIUSA-N 1 0 346.431 3.251 10 5 EGBERO CC1(c2ccc(Br)cc2)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001193734451 1368104634 /nfs/dbraw/zinc/10/46/34/1368104634.db2.gz KLQIJUFYRROBHC-UHFFFAOYSA-N 1 0 327.222 3.079 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001196851916 1368698594 /nfs/dbraw/zinc/69/85/94/1368698594.db2.gz WHTGETHMVQTPST-NIKGAXFTSA-N 1 0 342.395 3.088 10 5 EGBERO C[C@](CO)([NH2+]CCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001196907332 1368712258 /nfs/dbraw/zinc/71/22/58/1368712258.db2.gz LHBBXKJDZNNSSG-QGZVFWFLSA-N 1 0 334.803 3.288 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc1 ZINC001197937143 1368927942 /nfs/dbraw/zinc/92/79/42/1368927942.db2.gz IJOWSBAXNNUHIA-UHFFFAOYSA-N 1 0 346.818 3.008 10 5 EGBERO Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186764976 1388006109 /nfs/dbraw/zinc/00/61/09/1388006109.db2.gz YBJYOCZPOFCCBQ-NSHDSACASA-N 1 0 331.338 3.452 10 5 EGBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001326403327 1388178642 /nfs/dbraw/zinc/17/86/42/1388178642.db2.gz ZDAVQPLVXFKFKS-IINYFYTJSA-N 1 0 345.237 3.244 10 5 EGBERO Cc1cc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC001123453985 1372475117 /nfs/dbraw/zinc/47/51/17/1372475117.db2.gz SRFDNFLSHMETPC-UHFFFAOYSA-N 1 0 346.431 3.385 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001134763803 1376707480 /nfs/dbraw/zinc/70/74/80/1376707480.db2.gz AMLQWERLDNADBA-AWEZNQCLSA-N 1 0 333.432 3.106 10 5 EGBERO Cn1cc(C[NH2+]C2CC3(CC3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001328157060 1388683282 /nfs/dbraw/zinc/68/32/82/1388683282.db2.gz AVRJBTVJCUFRPB-UHFFFAOYSA-N 1 0 348.353 3.273 10 5 EGBERO Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1[N+](=O)[O-] ZINC001160703198 1382174697 /nfs/dbraw/zinc/17/46/97/1382174697.db2.gz QISCVVUBLVZJJL-UHFFFAOYSA-N 1 0 344.371 3.008 10 5 EGBERO C[C@H]1C[C@@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC001162799510 1382876400 /nfs/dbraw/zinc/87/64/00/1382876400.db2.gz AUJHOFVVKXIMFD-CMPLNLGQSA-N 1 0 346.818 3.255 10 5 EGBERO C[C@H](C(=O)Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1F ZINC001304166245 1383836479 /nfs/dbraw/zinc/83/64/79/1383836479.db2.gz SHFJXQWASWVRTP-JTQLQIEISA-N 1 0 328.303 3.124 10 5 EGBERO CCC[N@@H+]1CC[C@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001306942045 1383923837 /nfs/dbraw/zinc/92/38/37/1383923837.db2.gz PNEDYPVLFXFJCB-GFCCVEGCSA-N 1 0 348.834 3.362 10 5 EGBERO CCC[N@H+](CC)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001306986015 1383929704 /nfs/dbraw/zinc/92/97/04/1383929704.db2.gz COTYLCMDENWERC-UHFFFAOYSA-N 1 0 336.823 3.362 10 5 EGBERO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccnc1[N+](=O)[O-] ZINC001307199141 1383955165 /nfs/dbraw/zinc/95/51/65/1383955165.db2.gz BZJKVEPRSXOYEQ-KRWDZBQOSA-N 1 0 340.427 3.481 10 5 EGBERO CCC1(CC)[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001307545791 1384000148 /nfs/dbraw/zinc/00/01/48/1384000148.db2.gz YJEASHMRIAMPKZ-SJORKVTESA-N 1 0 336.432 3.499 10 5 EGBERO CCC[N@H+](CCNC(=O)c1occc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317541859 1385281531 /nfs/dbraw/zinc/28/15/31/1385281531.db2.gz XGLHTXKESORKAM-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CC(C)CC(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001318859455 1385863391 /nfs/dbraw/zinc/86/33/91/1385863391.db2.gz NCLPYMFMHSBKGQ-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCCC1 ZINC001322392275 1387177379 /nfs/dbraw/zinc/17/73/79/1387177379.db2.gz HKRWZFVMAGXAJM-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO COc1ccc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC001329173883 1389004526 /nfs/dbraw/zinc/00/45/26/1389004526.db2.gz BPVPURQXJZNOGT-AWEZNQCLSA-N 1 0 329.400 3.152 10 5 EGBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001336804758 1389172866 /nfs/dbraw/zinc/17/28/66/1389172866.db2.gz USLLKZBSVCWNIQ-KDURUIRLSA-N 1 0 343.427 3.110 10 5 EGBERO CC1(C)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001349768076 1391364412 /nfs/dbraw/zinc/36/44/12/1391364412.db2.gz WMCSZWLATKIXAM-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809146 1392170474 /nfs/dbraw/zinc/17/04/74/1392170474.db2.gz ZYCAFUZJCCAADS-RHSMWYFYSA-N 1 0 345.443 3.079 10 5 EGBERO CC(C)CC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001479881788 1392455747 /nfs/dbraw/zinc/45/57/47/1392455747.db2.gz UNAZAGVVCZNTMX-UHFFFAOYSA-N 1 0 333.432 3.064 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)C(C)(C)C1(C)C ZINC001481325022 1393164045 /nfs/dbraw/zinc/16/40/45/1393164045.db2.gz ISFYLGZZDKSCFN-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C1CCCC1 ZINC001481887702 1394578964 /nfs/dbraw/zinc/57/89/64/1394578964.db2.gz LUGVOUWTGPFSQF-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001497342347 1396750856 /nfs/dbraw/zinc/75/08/56/1396750856.db2.gz SWKXUQLURWKZFC-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC=CCC1 ZINC001497760946 1396830903 /nfs/dbraw/zinc/83/09/03/1396830903.db2.gz FANZNPWOUCIAKD-BQYQJAHWSA-N 1 0 343.427 3.103 10 5 EGBERO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001691109670 1405050473 /nfs/dbraw/zinc/05/04/73/1405050473.db2.gz FKHGIKPRIZSZFD-AKAXFMLLSA-N 1 0 345.443 3.015 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001707448059 1417352306 /nfs/dbraw/zinc/35/23/06/1417352306.db2.gz MWTVCHVTEIYUGT-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC[N@H+](CCCNC(=O)c1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC001713007365 1417561484 /nfs/dbraw/zinc/56/14/84/1417561484.db2.gz NTQQNORNFXHMPH-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO CC[N@H+](CCCNC(=O)C(C)=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001713012762 1417566717 /nfs/dbraw/zinc/56/67/17/1417566717.db2.gz XOCDUSSRBLBKEH-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CCC1(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC001713560586 1418359613 /nfs/dbraw/zinc/35/96/13/1418359613.db2.gz MWQRHSSIGOJZCE-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC[N@H+](CCNC(=O)C(C)=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714586056 1419328087 /nfs/dbraw/zinc/32/80/87/1419328087.db2.gz YHGARKGVVCLRST-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC/C(C)=C/C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001715300087 1420007841 /nfs/dbraw/zinc/00/78/41/1420007841.db2.gz LLMKAKZKSDLJPX-RVDMUPIBSA-N 1 0 345.443 3.470 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC(C)(C)C1 ZINC001715752134 1420325243 /nfs/dbraw/zinc/32/52/43/1420325243.db2.gz NVOPIJQYVRCMRU-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC/C(C)=C\C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001717206132 1421176543 /nfs/dbraw/zinc/17/65/43/1421176543.db2.gz CCFWWMJBCWZXRC-SQFISAMPSA-N 1 0 333.432 3.231 10 5 EGBERO CC(C)=CC(=O)NCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733446824 1429656588 /nfs/dbraw/zinc/65/65/88/1429656588.db2.gz OLNORKDEORTFOC-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC/C=C(/C)C(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001723995192 1424619802 /nfs/dbraw/zinc/61/98/02/1424619802.db2.gz WCNFFOPVVYWZCC-CHHVJCJISA-N 1 0 345.443 3.422 10 5 EGBERO CC(C)CC1(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001731777900 1427898267 /nfs/dbraw/zinc/89/82/67/1427898267.db2.gz UCDKTHTYMCJLGD-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC(C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001731902492 1428166178 /nfs/dbraw/zinc/16/61/78/1428166178.db2.gz PZZDCSODEGJPCI-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CO[N+](C)(C)CCOC(=O)C1c2ccccc2Oc2ccccc21 ZINC000001852191 717090789 /nfs/dbraw/zinc/09/07/89/717090789.db2.gz LKZLEDNUSBPQKS-UHFFFAOYSA-N 1 0 328.388 3.105 10 5 EGBERO CC[C@H](NC(=O)N(CC)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000189863261 529486560 /nfs/dbraw/zinc/48/65/60/529486560.db2.gz JFXPISGODWWKSU-INIZCTEOSA-N 1 0 336.436 3.029 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000130560383 529612294 /nfs/dbraw/zinc/61/22/94/529612294.db2.gz JWJVHKGKCYRHER-DLBZAZTESA-N 1 0 330.384 3.378 10 5 EGBERO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129387950 223051140 /nfs/dbraw/zinc/05/11/40/223051140.db2.gz CIUHOVIOGRUQBH-YJBOKZPZSA-N 1 0 344.415 3.143 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246052833 243185543 /nfs/dbraw/zinc/18/55/43/243185543.db2.gz QGDLOKDGTJVWBO-DZGCQCFKSA-N 1 0 334.420 3.097 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000079462157 217226921 /nfs/dbraw/zinc/22/69/21/217226921.db2.gz GQEZBEDMVCYSBJ-RHSMWYFYSA-N 1 0 335.448 3.156 10 5 EGBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000408401257 169175105 /nfs/dbraw/zinc/17/51/05/169175105.db2.gz BURVMVGLGQYTSC-SCRDCRAPSA-N 1 0 338.839 3.485 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812489 218171004 /nfs/dbraw/zinc/17/10/04/218171004.db2.gz OQDDKICIXYDBLH-BIENSFFJSA-N 1 0 338.411 3.437 10 5 EGBERO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268574211 252034702 /nfs/dbraw/zinc/03/47/02/252034702.db2.gz POQJAWHYDIADFK-OAHLLOKOSA-N 1 0 345.424 3.003 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000180881052 533167009 /nfs/dbraw/zinc/16/70/09/533167009.db2.gz XXPSXHBYJSXICS-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c(C)nn(C)c1C ZINC000344873592 144234538 /nfs/dbraw/zinc/23/45/38/144234538.db2.gz MSGXVZWLRZMJOG-RAXLEYEMSA-N 1 0 328.416 3.181 10 5 EGBERO Cc1sc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116126292 152045979 /nfs/dbraw/zinc/04/59/79/152045979.db2.gz FGRXWMGPJHUHBI-CYBMUJFWSA-N 1 0 327.450 3.061 10 5 EGBERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000261705144 153707813 /nfs/dbraw/zinc/70/78/13/153707813.db2.gz LZURIJGOBZEMBB-GOSISDBHSA-N 1 0 341.411 3.058 10 5 EGBERO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311076460 154147335 /nfs/dbraw/zinc/14/73/35/154147335.db2.gz FASXIAIRXBIOLL-GOSISDBHSA-N 1 0 343.402 3.440 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093690741 162023695 /nfs/dbraw/zinc/02/36/95/162023695.db2.gz TVSWVFFSPHDGNS-YXMMZVCTSA-N 1 0 325.368 3.156 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000094101153 162041103 /nfs/dbraw/zinc/04/11/03/162041103.db2.gz NKAUTTQPSJEGDZ-UHFFFAOYSA-N 1 0 345.443 3.220 10 5 EGBERO CCn1cc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000195501360 162855522 /nfs/dbraw/zinc/85/55/22/162855522.db2.gz CPZHKKZVQPMGRN-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000248634317 163023667 /nfs/dbraw/zinc/02/36/67/163023667.db2.gz JRIUCJMDLPPVGQ-KBRIMQKVSA-N 1 0 334.416 3.220 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124039895 222368558 /nfs/dbraw/zinc/36/85/58/222368558.db2.gz WWWZFZROVNPJKI-ZBFHGGJFSA-N 1 0 335.448 3.297 10 5 EGBERO COc1ccccc1CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177050011 265225918 /nfs/dbraw/zinc/22/59/18/265225918.db2.gz JGSULGKSRXAQLY-UHFFFAOYSA-N 1 0 341.367 3.419 10 5 EGBERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000250137112 266262716 /nfs/dbraw/zinc/26/27/16/266262716.db2.gz YHDNYVWZVMRCMJ-RCCFBDPRSA-N 1 0 326.396 3.433 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000359858060 274004796 /nfs/dbraw/zinc/00/47/96/274004796.db2.gz QBKJWROSXCPVFF-QGZVFWFLSA-N 1 0 343.383 3.096 10 5 EGBERO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000360049272 274182135 /nfs/dbraw/zinc/18/21/35/274182135.db2.gz CJJRXCXQKCFPAQ-HZPDHXFCSA-N 1 0 339.436 3.058 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000285903175 275925325 /nfs/dbraw/zinc/92/53/25/275925325.db2.gz BKKSVVMVQDWUDK-NEPJUHHUSA-N 1 0 341.367 3.338 10 5 EGBERO CCc1nn(C)c(NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000288105058 276183327 /nfs/dbraw/zinc/18/33/27/276183327.db2.gz KDLWYFYFDLEGHH-UHFFFAOYSA-N 1 0 343.431 3.099 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289802582 276397654 /nfs/dbraw/zinc/39/76/54/276397654.db2.gz VBPLHBBFDWSJBE-SNVBAGLBSA-N 1 0 328.800 3.100 10 5 EGBERO Cc1sc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000074337135 307392833 /nfs/dbraw/zinc/39/28/33/307392833.db2.gz WLLLUWQVKWTHBU-UHFFFAOYSA-N 1 0 327.450 3.203 10 5 EGBERO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000294878186 308266942 /nfs/dbraw/zinc/26/69/42/308266942.db2.gz PVOPDTSLOJGQGC-LBPRGKRZSA-N 1 0 339.823 3.161 10 5 EGBERO CCOc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301511237 308703299 /nfs/dbraw/zinc/70/32/99/308703299.db2.gz IOQAPNHKAJSFTF-MRXNPFEDSA-N 1 0 333.432 3.448 10 5 EGBERO COc1cc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000301986397 308724107 /nfs/dbraw/zinc/72/41/07/308724107.db2.gz MFUZPLQRYRQIQF-LBPRGKRZSA-N 1 0 325.384 3.276 10 5 EGBERO CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413276781 309024823 /nfs/dbraw/zinc/02/48/23/309024823.db2.gz CZWLCLFEZFAFFN-ZACCUICWSA-N 1 0 344.337 3.070 10 5 EGBERO CC(=O)NC1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417348212 309202535 /nfs/dbraw/zinc/20/25/35/309202535.db2.gz YLKIWVOQYALACV-RJYAGPCLSA-N 1 0 345.443 3.399 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000433007667 309675392 /nfs/dbraw/zinc/67/53/92/309675392.db2.gz WBNOBXFISBBGAD-MQBCKMQZSA-N 1 0 331.416 3.400 10 5 EGBERO C[NH+](C)CCSc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000447687589 309985832 /nfs/dbraw/zinc/98/58/32/309985832.db2.gz DGGQAJJVFDQSKM-UHFFFAOYSA-N 1 0 345.293 3.298 10 5 EGBERO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000449778763 310086620 /nfs/dbraw/zinc/08/66/20/310086620.db2.gz CEJWZRRGAGFUAH-LBPRGKRZSA-N 1 0 348.374 3.472 10 5 EGBERO CC[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000455627041 310370236 /nfs/dbraw/zinc/37/02/36/310370236.db2.gz ZDXMQOOVTDUOAU-QGZVFWFLSA-N 1 0 348.447 3.220 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000460353735 310582470 /nfs/dbraw/zinc/58/24/70/310582470.db2.gz QJKFSAKICWNBEI-DLBZAZTESA-N 1 0 333.432 3.362 10 5 EGBERO CC[NH+]1CCC(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488054041 311049380 /nfs/dbraw/zinc/04/93/80/311049380.db2.gz VARFALSBPLDPNI-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO C[C@H]1C[C@H](CCNc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641469 312165183 /nfs/dbraw/zinc/16/51/83/312165183.db2.gz BQZITDJMGZMJMP-RDJZCZTQSA-N 1 0 340.427 3.124 10 5 EGBERO CCn1ccnc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516541722 312328237 /nfs/dbraw/zinc/32/82/37/312328237.db2.gz ZSLLRUGNIFPVDE-GFCCVEGCSA-N 1 0 327.388 3.186 10 5 EGBERO COc1ccccc1CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000517136396 312365164 /nfs/dbraw/zinc/36/51/64/312365164.db2.gz ZZYBOSIFDCOVCK-UHFFFAOYSA-N 1 0 330.384 3.157 10 5 EGBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000563219651 315980052 /nfs/dbraw/zinc/98/00/52/315980052.db2.gz UGKPCWOFCJJVCH-MLGOLLRUSA-N 1 0 333.388 3.137 10 5 EGBERO COC(=O)CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000577520239 324821499 /nfs/dbraw/zinc/82/14/99/324821499.db2.gz PRHNDRXWRBMQGK-UHFFFAOYSA-N 1 0 330.340 3.040 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000189802121 455241887 /nfs/dbraw/zinc/24/18/87/455241887.db2.gz LDQUKSWJPRPNHJ-UKRRQHHQSA-N 1 0 331.416 3.027 10 5 EGBERO Cc1[nH]c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000239760926 455262584 /nfs/dbraw/zinc/26/25/84/455262584.db2.gz CILABTHQFNHAID-HZPDHXFCSA-N 1 0 344.415 3.029 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245396870 455286029 /nfs/dbraw/zinc/28/60/29/455286029.db2.gz MYWXLZRLDVHHSV-XJKSGUPXSA-N 1 0 347.415 3.197 10 5 EGBERO C[N+]1(C)CCC[C@H]1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001999362 452682674 /nfs/dbraw/zinc/68/26/74/452682674.db2.gz KASKRXOORXMTTP-PZJWPPBQSA-N 1 0 346.491 3.237 10 5 in-man EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728617 460581656 /nfs/dbraw/zinc/58/16/56/460581656.db2.gz VTRUURCDWFDXDN-QKCSRTOESA-N 1 0 331.338 3.115 10 5 EGBERO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000184259002 455367192 /nfs/dbraw/zinc/36/71/92/455367192.db2.gz HJQYHZAPOVIRCW-GFCCVEGCSA-N 1 0 348.428 3.348 10 5 EGBERO Cc1sc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067267864 453916092 /nfs/dbraw/zinc/91/60/92/453916092.db2.gz GHYNMUWVRQCBGA-OAHLLOKOSA-N 1 0 347.440 3.306 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000085635963 454035930 /nfs/dbraw/zinc/03/59/30/454035930.db2.gz BAMUMVQCGGNHJN-GOOCMWNKSA-N 1 0 346.431 3.348 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCC[C@@H]3O)cs2)c1 ZINC000077465853 454109480 /nfs/dbraw/zinc/10/94/80/454109480.db2.gz LREXFTVFOYYDOY-BBRMVZONSA-N 1 0 347.440 3.359 10 5 EGBERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090551094 454320379 /nfs/dbraw/zinc/32/03/79/454320379.db2.gz HDQKPHUPFYOUOD-YOEHRIQHSA-N 1 0 348.447 3.077 10 5 EGBERO CC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000090564005 454322999 /nfs/dbraw/zinc/32/29/99/454322999.db2.gz OMVZUUDRRLNYGO-SJORKVTESA-N 1 0 348.447 3.220 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000091478164 454440407 /nfs/dbraw/zinc/44/04/07/454440407.db2.gz CHMWQHAANFFKSZ-HOTGVXAUSA-N 1 0 347.459 3.229 10 5 EGBERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccncc1[N+](=O)[O-] ZINC000092696123 454612863 /nfs/dbraw/zinc/61/28/63/454612863.db2.gz RVYGDWQGTDNNMX-UHFFFAOYSA-N 1 0 341.415 3.128 10 5 EGBERO Cc1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000105866445 454662044 /nfs/dbraw/zinc/66/20/44/454662044.db2.gz CZNCTEZRPPAXJU-UHFFFAOYSA-N 1 0 346.456 3.068 10 5 EGBERO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC000153274826 454777536 /nfs/dbraw/zinc/77/75/36/454777536.db2.gz XPVPVNXPXBSOJL-UHFFFAOYSA-N 1 0 345.443 3.040 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176989960 454808586 /nfs/dbraw/zinc/80/85/86/454808586.db2.gz FCTREVUUHBKUNO-AWEZNQCLSA-N 1 0 347.440 3.366 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114481999 454957059 /nfs/dbraw/zinc/95/70/59/454957059.db2.gz MFQOAERPBXOKJO-KRWDZBQOSA-N 1 0 330.388 3.314 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C4CC4)CC3)o2)cc1 ZINC000127902349 455007595 /nfs/dbraw/zinc/00/75/95/455007595.db2.gz WUOKYVCPFVGXGW-UHFFFAOYSA-N 1 0 327.384 3.135 10 5 EGBERO CSC[C@@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180612001 455207870 /nfs/dbraw/zinc/20/78/70/455207870.db2.gz PBHONBSBBITFSS-AEFFLSMTSA-N 1 0 346.452 3.388 10 5 EGBERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245667859 455351563 /nfs/dbraw/zinc/35/15/63/455351563.db2.gz RKKSIBLTKGNKSF-IAGOWNOFSA-N 1 0 340.383 3.162 10 5 EGBERO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181563865 455355527 /nfs/dbraw/zinc/35/55/27/455355527.db2.gz GVMSHRLILVPAEN-AWEZNQCLSA-N 1 0 348.790 3.323 10 5 EGBERO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612582023 460669171 /nfs/dbraw/zinc/66/91/71/460669171.db2.gz LDVCCRAILWRMHB-OAHLLOKOSA-N 1 0 334.416 3.314 10 5 EGBERO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000265820335 455387809 /nfs/dbraw/zinc/38/78/09/455387809.db2.gz XXYKITBNBJJSDJ-AWEZNQCLSA-N 1 0 326.805 3.307 10 5 EGBERO Cc1nn(C)c(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000160805931 455500990 /nfs/dbraw/zinc/50/09/90/455500990.db2.gz GSZUXTBJBSUAKB-GOSISDBHSA-N 1 0 343.431 3.103 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000185653271 455589805 /nfs/dbraw/zinc/58/98/05/455589805.db2.gz YVSYZDRHGJELSQ-JORFTBQQSA-N 1 0 346.427 3.172 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccs1 ZINC000192798418 455695910 /nfs/dbraw/zinc/69/59/10/455695910.db2.gz TYOWXBLUKWAVIS-NSHDSACASA-N 1 0 349.412 3.344 10 5 EGBERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000192798452 455696359 /nfs/dbraw/zinc/69/63/59/455696359.db2.gz ABMVINUDHMADTP-NSHDSACASA-N 1 0 349.412 3.344 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000278147535 455770321 /nfs/dbraw/zinc/77/03/21/455770321.db2.gz RENMZXSGUDSINL-GFCCVEGCSA-N 1 0 339.823 3.161 10 5 EGBERO C[C@@H]1C[C@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301411800 456109802 /nfs/dbraw/zinc/10/98/02/456109802.db2.gz KJXWKHSMLMCVCY-ZYHUDNBSSA-N 1 0 342.237 3.276 10 5 EGBERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263782328 456221142 /nfs/dbraw/zinc/22/11/42/456221142.db2.gz FUYIWXCLVLYYOV-LBPRGKRZSA-N 1 0 343.412 3.093 10 5 EGBERO Cc1ccc(Nc2cnn(CC[NH+]3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000301953685 456258063 /nfs/dbraw/zinc/25/80/63/456258063.db2.gz IGTPBVYZLUNTCE-UHFFFAOYSA-N 1 0 329.404 3.329 10 5 EGBERO C[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000302377783 456337332 /nfs/dbraw/zinc/33/73/32/456337332.db2.gz GBBPSMWQWPJTFC-GOSISDBHSA-N 1 0 326.400 3.456 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000337544177 456369232 /nfs/dbraw/zinc/36/92/32/456369232.db2.gz MWPFNVOUDINTMH-UHFFFAOYSA-N 1 0 343.383 3.096 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000338186847 456692156 /nfs/dbraw/zinc/69/21/56/456692156.db2.gz TUGNKBDEUNUSIM-BVPBIZIASA-N 1 0 348.443 3.365 10 5 EGBERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299462313 456699843 /nfs/dbraw/zinc/69/98/43/456699843.db2.gz FPGVZMDULHTFTH-GDBMZVCRSA-N 1 0 333.432 3.284 10 5 EGBERO CC[NH+](CC)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291783160 456756224 /nfs/dbraw/zinc/75/62/24/456756224.db2.gz CPVAJHDEYXWXTB-AWEZNQCLSA-N 1 0 328.416 3.311 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330389248 457037851 /nfs/dbraw/zinc/03/78/51/457037851.db2.gz DVTBZRZNDOQKFY-CYBMUJFWSA-N 1 0 333.432 3.144 10 5 EGBERO Cc1nc([C@H]2CCCCN2CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363012225 457195707 /nfs/dbraw/zinc/19/57/07/457195707.db2.gz CZDUIQOXCDJDCZ-MRXNPFEDSA-N 1 0 346.387 3.282 10 5 EGBERO CSc1cccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000370194867 457581191 /nfs/dbraw/zinc/58/11/91/457581191.db2.gz RGBUGWCSYSZBTL-UHFFFAOYSA-N 1 0 349.456 3.063 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374858369 457720738 /nfs/dbraw/zinc/72/07/38/457720738.db2.gz QLYJUPFYHRHKOR-SCLBCKFNSA-N 1 0 330.359 3.388 10 5 EGBERO CC[C@H]1CN(CC)CCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411051374 457785829 /nfs/dbraw/zinc/78/58/29/457785829.db2.gz HTQBUXYXHWWUGS-ZDUSSCGKSA-N 1 0 339.823 3.113 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000366617088 457871586 /nfs/dbraw/zinc/87/15/86/457871586.db2.gz DBLDYYZAKKHDKV-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO COc1ccc(NC(=O)CC[N@H+](C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000411685035 457949572 /nfs/dbraw/zinc/94/95/72/457949572.db2.gz JNDSDAGARFWCGA-UHFFFAOYSA-N 1 0 335.404 3.197 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000361995386 457996826 /nfs/dbraw/zinc/99/68/26/457996826.db2.gz HGRQYIHDINCITR-LPHOPBHVSA-N 1 0 342.395 3.341 10 5 EGBERO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000375636676 457999133 /nfs/dbraw/zinc/99/91/33/457999133.db2.gz VJOYIGPDQIJJMW-OIISXLGYSA-N 1 0 345.443 3.427 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000371829335 458089805 /nfs/dbraw/zinc/08/98/05/458089805.db2.gz SPLIKMPGSLSGTH-DUVHGLKDSA-N 1 0 343.427 3.085 10 5 EGBERO COc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000447933761 458368006 /nfs/dbraw/zinc/36/80/06/458368006.db2.gz YDKJJCPLAOYYDG-UHFFFAOYSA-N 1 0 338.367 3.079 10 5 EGBERO COc1cccc(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000468748151 458533125 /nfs/dbraw/zinc/53/31/25/458533125.db2.gz NIWOGNCTJHWAQY-KAMYIIQDSA-N 1 0 327.384 3.234 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000432366984 458724708 /nfs/dbraw/zinc/72/47/08/458724708.db2.gz DXWJRZXOUYLRCS-LRDDRELGSA-N 1 0 346.383 3.378 10 5 EGBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000518800502 458894214 /nfs/dbraw/zinc/89/42/14/458894214.db2.gz ZUWJPZGETQXPAT-ZDUSSCGKSA-N 1 0 334.338 3.452 10 5 EGBERO COC(=O)c1cc(NC[C@@H](CC(C)C)[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000474791731 458901287 /nfs/dbraw/zinc/90/12/87/458901287.db2.gz ROLBEFQQYSCHOW-CQSZACIVSA-N 1 0 337.420 3.078 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000441458566 458948319 /nfs/dbraw/zinc/94/83/19/458948319.db2.gz OXWFVMPXWLNGOF-SFHVURJKSA-N 1 0 334.416 3.397 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(COc2cc(C)[nH+]c(C)c2C)c1 ZINC000594491704 459058641 /nfs/dbraw/zinc/05/86/41/459058641.db2.gz OIYAGECOXXWURP-UHFFFAOYSA-N 1 0 330.340 3.281 10 5 EGBERO COc1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000594524443 459079998 /nfs/dbraw/zinc/07/99/98/459079998.db2.gz QBMCWSLEVFBRPL-GFCCVEGCSA-N 1 0 340.383 3.373 10 5 EGBERO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)C[C@H](C)O1 ZINC000558409046 459155243 /nfs/dbraw/zinc/15/52/43/459155243.db2.gz MOOZYKXAYASITM-OKILXGFUSA-N 1 0 342.399 3.343 10 5 EGBERO C[C@H]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000594982926 459205628 /nfs/dbraw/zinc/20/56/28/459205628.db2.gz CVDORMYGNAMWEA-GXFFZTMASA-N 1 0 330.331 3.243 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595078332 459238885 /nfs/dbraw/zinc/23/88/85/459238885.db2.gz URHSXXBRDNABMH-XJIUQZFPSA-N 1 0 331.416 3.338 10 5 EGBERO C[C@]1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595080035 459239407 /nfs/dbraw/zinc/23/94/07/459239407.db2.gz IUBGHBPPGFBOAV-SCRDCRAPSA-N 1 0 328.363 3.300 10 5 EGBERO COc1cccc(SCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000595422652 459295670 /nfs/dbraw/zinc/29/56/70/459295670.db2.gz ISZMTIJUFNZRFQ-UHFFFAOYSA-N 1 0 345.424 3.149 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000595705141 459406347 /nfs/dbraw/zinc/40/63/47/459406347.db2.gz CSMCPEYYMBLMOS-XJKSGUPXSA-N 1 0 339.395 3.160 10 5 EGBERO C[C@@H]1CC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000592132860 459532347 /nfs/dbraw/zinc/53/23/47/459532347.db2.gz OFEXYPPLVOCVIF-VDHUWJSZSA-N 1 0 348.443 3.268 10 5 EGBERO CC(C)[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446541 459601383 /nfs/dbraw/zinc/60/13/83/459601383.db2.gz FQTRSNQEJKQIFX-MAUKXSAKSA-N 1 0 346.427 3.011 10 5 EGBERO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000596648560 459713954 /nfs/dbraw/zinc/71/39/54/459713954.db2.gz RIAGUXIQOXPGHS-NIKGAXFTSA-N 1 0 325.412 3.391 10 5 EGBERO Cc1c(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)oc2c1cccc2C ZINC000593087740 459768375 /nfs/dbraw/zinc/76/83/75/459768375.db2.gz PEHJWJVXGIGJNS-UHFFFAOYSA-N 1 0 328.372 3.286 10 5 EGBERO CSc1ccc(C(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593210955 459809333 /nfs/dbraw/zinc/80/93/33/459809333.db2.gz YREPSGDINKSDJR-UHFFFAOYSA-N 1 0 339.461 3.024 10 5 EGBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000566124104 459810643 /nfs/dbraw/zinc/81/06/43/459810643.db2.gz HKVOSRUMWCSRHU-SFHVURJKSA-N 1 0 342.395 3.002 10 5 EGBERO CN(C(=O)C[N@H+](C)C(C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000585754288 459841644 /nfs/dbraw/zinc/84/16/44/459841644.db2.gz FLBZQTWWTGYBAU-UHFFFAOYSA-N 1 0 341.411 3.425 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000597116069 459841662 /nfs/dbraw/zinc/84/16/62/459841662.db2.gz DAOTUCXZBMFKOE-JSGCOSHPSA-N 1 0 330.306 3.271 10 5 EGBERO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754222 459842397 /nfs/dbraw/zinc/84/23/97/459842397.db2.gz AAECHKXALWFYAD-UHFFFAOYSA-N 1 0 327.384 3.400 10 5 EGBERO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[C@H]1O ZINC000597204393 459876761 /nfs/dbraw/zinc/87/67/61/459876761.db2.gz IPPXCZQBBIYAOH-MCBXIFIFSA-N 1 0 330.384 3.304 10 5 EGBERO C[C@@H]1C[N@@H+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000593459102 459895427 /nfs/dbraw/zinc/89/54/27/459895427.db2.gz XGPFFCGANKURQT-OKILXGFUSA-N 1 0 344.415 3.054 10 5 EGBERO C[NH+]1CCC([C@@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000593465922 459898386 /nfs/dbraw/zinc/89/83/86/459898386.db2.gz RUXQJWZMNXDJRP-OAHLLOKOSA-N 1 0 340.427 3.311 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725712 459965330 /nfs/dbraw/zinc/96/53/30/459965330.db2.gz UDGNPULDCKVPFM-MLGOLLRUSA-N 1 0 327.384 3.022 10 5 EGBERO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCCO1 ZINC000594042393 460069887 /nfs/dbraw/zinc/06/98/87/460069887.db2.gz ITXABUFDRAGWET-CABCVRRESA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCCO1 ZINC000594042398 460071214 /nfs/dbraw/zinc/07/12/14/460071214.db2.gz ITXABUFDRAGWET-LSDHHAIUSA-N 1 0 346.387 3.082 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000589510866 460096595 /nfs/dbraw/zinc/09/65/95/460096595.db2.gz RFOOQHOOJJLXKM-XGWLTEMNSA-N 1 0 332.400 3.392 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000589510949 460097259 /nfs/dbraw/zinc/09/72/59/460097259.db2.gz XRWZKRAIYVSZTD-SCLBCKFNSA-N 1 0 332.400 3.394 10 5 EGBERO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC000598985371 460117196 /nfs/dbraw/zinc/11/71/96/460117196.db2.gz PIQXSWBQHOYXID-KRWDZBQOSA-N 1 0 332.331 3.054 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000599055022 460142295 /nfs/dbraw/zinc/14/22/95/460142295.db2.gz FECKKWMMILYXRT-JSGCOSHPSA-N 1 0 340.305 3.172 10 5 EGBERO CC1(C)C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599094682 460158747 /nfs/dbraw/zinc/15/87/47/460158747.db2.gz XRJFXSDDKXYOEY-IRXDYDNUSA-N 1 0 343.427 3.060 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599621554 460289242 /nfs/dbraw/zinc/28/92/42/460289242.db2.gz FJRMFESWLLKSIE-INIZCTEOSA-N 1 0 347.459 3.151 10 5 EGBERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000603589958 460324914 /nfs/dbraw/zinc/32/49/14/460324914.db2.gz SDDQMXRVLMIIGI-UHFFFAOYSA-N 1 0 349.412 3.287 10 5 EGBERO CSc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150281 460733941 /nfs/dbraw/zinc/73/39/41/460733941.db2.gz UXUNENRSBCHOBR-KRWDZBQOSA-N 1 0 332.425 3.314 10 5 EGBERO CCC1([NH+](C)C)CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000601229628 460759150 /nfs/dbraw/zinc/75/91/50/460759150.db2.gz VRVCLLZJHLLPME-UHFFFAOYSA-N 1 0 349.431 3.000 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000601791261 460900111 /nfs/dbraw/zinc/90/01/11/460900111.db2.gz JAFDKLAPEWFOHL-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccccc1O)C1CC1 ZINC000154921535 534887918 /nfs/dbraw/zinc/88/79/18/534887918.db2.gz RIKJZQHBSNIUGY-QGZVFWFLSA-N 1 0 326.396 3.454 10 5 EGBERO [NH3+]CCc1c2cccc([N+](=O)[O-])c2[nH]c1C(F)(F)Br ZINC000536960470 548058289 /nfs/dbraw/zinc/05/82/89/548058289.db2.gz PNJJQFHPCVPVBJ-UHFFFAOYSA-N 1 0 334.120 3.022 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000741747635 576716458 /nfs/dbraw/zinc/71/64/58/576716458.db2.gz WESFDAYEJLOYHG-CQSZACIVSA-N 1 0 345.374 3.429 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000870996941 1296172280 /nfs/dbraw/zinc/17/22/80/1296172280.db2.gz NPXDCCWVLRWEJC-INIZCTEOSA-N 1 0 339.823 3.085 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000871358783 1296367622 /nfs/dbraw/zinc/36/76/22/1296367622.db2.gz GHBHWKOQSATMDA-UHFFFAOYSA-N 1 0 347.459 3.252 10 5 EGBERO C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000871933327 1296620469 /nfs/dbraw/zinc/62/04/69/1296620469.db2.gz LRUXBKGDCBNNLS-MRVPVSSYSA-N 1 0 328.237 3.417 10 5 EGBERO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872021041 1296664012 /nfs/dbraw/zinc/66/40/12/1296664012.db2.gz MXKNEWDEXHHDGG-LBPRGKRZSA-N 1 0 332.379 3.160 10 5 EGBERO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872023255 1296665645 /nfs/dbraw/zinc/66/56/45/1296665645.db2.gz QSJXXMOJUDEFCI-JTQLQIEISA-N 1 0 337.317 3.269 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089769 1296728474 /nfs/dbraw/zinc/72/84/74/1296728474.db2.gz DXVHAGYJDKWJMA-JUKMUDQWSA-N 1 0 347.346 3.015 10 5 EGBERO CC(C)[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000872092975 1296730128 /nfs/dbraw/zinc/73/01/28/1296730128.db2.gz RZYZKBGOBSSQAF-JCOFBHIZSA-N 1 0 338.301 3.332 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000872217567 1296821749 /nfs/dbraw/zinc/82/17/49/1296821749.db2.gz ZRRSMMGSJDAGDT-GFCCVEGCSA-N 1 0 346.330 3.498 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)O2)CO1 ZINC000886331319 1303436556 /nfs/dbraw/zinc/43/65/56/1303436556.db2.gz DTNNSROKYDSBQM-DJSGYFEHSA-N 1 0 340.807 3.064 10 5 EGBERO Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000893022974 1305663778 /nfs/dbraw/zinc/66/37/78/1305663778.db2.gz FKMMGAMBRLUSSW-ZBFHGGJFSA-N 1 0 333.432 3.238 10 5 EGBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000893028249 1305667850 /nfs/dbraw/zinc/66/78/50/1305667850.db2.gz ZQSCBFNBTQUXBH-TZMCWYRMSA-N 1 0 337.395 3.069 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000899554292 1317087074 /nfs/dbraw/zinc/08/70/74/1317087074.db2.gz ARKHPWWZTDWPQP-UHFFFAOYSA-N 1 0 345.443 3.302 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445826 1328764264 /nfs/dbraw/zinc/76/42/64/1328764264.db2.gz DFJMTCSMBVLRPO-SGTLLEGYSA-N 1 0 343.383 3.058 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000858505285 1328782914 /nfs/dbraw/zinc/78/29/14/1328782914.db2.gz HWWNSBAIJKZXAV-SJORKVTESA-N 1 0 344.411 3.157 10 5 EGBERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000930593102 1328907486 /nfs/dbraw/zinc/90/74/86/1328907486.db2.gz CLSAXHRRYHCCHC-KWQFWETISA-N 1 0 342.264 3.194 10 5 EGBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC000859560481 1329017861 /nfs/dbraw/zinc/01/78/61/1329017861.db2.gz HKKSXCWAXTZUOK-UKRRQHHQSA-N 1 0 341.411 3.303 10 5 EGBERO CCc1ccc([C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925784634 1325300892 /nfs/dbraw/zinc/30/08/92/1325300892.db2.gz JNMYORLARFHIAT-WTANOLMUSA-N 1 0 343.427 3.285 10 5 EGBERO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113186 1325434091 /nfs/dbraw/zinc/43/40/91/1325434091.db2.gz MYXUGIIHWPESGI-LSDHHAIUSA-N 1 0 326.824 3.441 10 5 EGBERO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1=CC[N@H+](C)CC1 ZINC000860700983 1329345953 /nfs/dbraw/zinc/34/59/53/1329345953.db2.gz WONYSTQIVCNMJF-CYBMUJFWSA-N 1 0 339.395 3.128 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951930 1327792686 /nfs/dbraw/zinc/79/26/86/1327792686.db2.gz GRLKBTBWZNDXTN-GBIKHYSHSA-N 1 0 345.321 3.100 10 5 EGBERO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927158076 1327898517 /nfs/dbraw/zinc/89/85/17/1327898517.db2.gz YEQGMSCYZKMJLU-MUKKUYKPSA-N 1 0 344.386 3.477 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862466942 1329488752 /nfs/dbraw/zinc/48/87/52/1329488752.db2.gz JZLARTXIQXKCEA-NSHDSACASA-N 1 0 345.182 3.253 10 5 EGBERO C/C(=C/C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033486 1329524794 /nfs/dbraw/zinc/52/47/94/1329524794.db2.gz VOPCFSQEFFSOPQ-RXXLQFRUSA-N 1 0 343.427 3.131 10 5 EGBERO CC1([NH+]2CCCC2)CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000865246707 1329679546 /nfs/dbraw/zinc/67/95/46/1329679546.db2.gz ORXAYIUHGFRVIO-UHFFFAOYSA-N 1 0 348.472 3.242 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931806094 1329762994 /nfs/dbraw/zinc/76/29/94/1329762994.db2.gz RNHZJYAIOZKJAS-GOSISDBHSA-N 1 0 349.390 3.187 10 5 EGBERO C[NH+]1CCC(n2cc(Nc3cc(Cl)ccc3[N+](=O)[O-])cn2)CC1 ZINC000866056310 1330060430 /nfs/dbraw/zinc/06/04/30/1330060430.db2.gz BEJHRABFGXUPNY-UHFFFAOYSA-N 1 0 335.795 3.455 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@@H]21 ZINC000866207707 1330078590 /nfs/dbraw/zinc/07/85/90/1330078590.db2.gz JBQUVMZBTNMRPT-BBRMVZONSA-N 1 0 344.440 3.249 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1SCCS1 ZINC000866391242 1330105672 /nfs/dbraw/zinc/10/56/72/1330105672.db2.gz CUZFZGZZBIHFBQ-JTQLQIEISA-N 1 0 330.450 3.451 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CCOCC3)CCC2 ZINC000866532391 1330122556 /nfs/dbraw/zinc/12/25/56/1330122556.db2.gz LTWXRIMFQKFQKH-WMZOPIPTSA-N 1 0 346.427 3.148 10 5 EGBERO C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000868122859 1330251882 /nfs/dbraw/zinc/25/18/82/1330251882.db2.gz RYARJSBIFJHZLK-MJJDPTRDSA-N 1 0 348.447 3.218 10 5 EGBERO CC[C@H](C[NH+]1CCCC1)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001185345920 1387688859 /nfs/dbraw/zinc/68/88/59/1387688859.db2.gz FROBVNNMPLCORO-LLVKDONJSA-N 1 0 349.822 3.478 10 5 EGBERO CN(CC[C@H]1CCCC[N@@H+]1C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001185528081 1387739900 /nfs/dbraw/zinc/73/99/00/1387739900.db2.gz SKQHZCBHSCCDKH-OAHLLOKOSA-N 1 0 332.448 3.179 10 5 EGBERO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001195111499 1368380329 /nfs/dbraw/zinc/38/03/29/1368380329.db2.gz DACXPIIBNSPDKS-MRXNPFEDSA-N 1 0 325.412 3.301 10 5 EGBERO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC001195798109 1368492960 /nfs/dbraw/zinc/49/29/60/1368492960.db2.gz MYGGAVKWIJVFSM-INIZCTEOSA-N 1 0 331.441 3.015 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001132618575 1375486931 /nfs/dbraw/zinc/48/69/31/1375486931.db2.gz CBTSQVXIQGOFFJ-KRWDZBQOSA-N 1 0 345.443 3.430 10 5 EGBERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001142016789 1378404888 /nfs/dbraw/zinc/40/48/88/1378404888.db2.gz PDRYNHCQHMZCDK-LBPRGKRZSA-N 1 0 341.839 3.489 10 5 EGBERO CC(C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001162078911 1382622249 /nfs/dbraw/zinc/62/22/49/1382622249.db2.gz PCIUJKZJFSVNTM-AWEZNQCLSA-N 1 0 340.855 3.378 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001295872171 1382850594 /nfs/dbraw/zinc/85/05/94/1382850594.db2.gz WNQCETUAKZUAJO-YJBOKZPZSA-N 1 0 345.443 3.206 10 5 EGBERO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001162812337 1382881805 /nfs/dbraw/zinc/88/18/05/1382881805.db2.gz LSTSBFXWBPAKNW-UHFFFAOYSA-N 1 0 330.409 3.480 10 5 EGBERO C[NH+]1CCC(C)(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001162893054 1382907877 /nfs/dbraw/zinc/90/78/77/1382907877.db2.gz YYEKAFRYIYAVFH-UHFFFAOYSA-N 1 0 348.834 3.362 10 5 EGBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001299196846 1383483189 /nfs/dbraw/zinc/48/31/89/1383483189.db2.gz UWIUGBPCHRABGH-UHFFFAOYSA-N 1 0 331.347 3.356 10 5 EGBERO CC[N@H+]1[C@H](C)CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC001300085538 1383642161 /nfs/dbraw/zinc/64/21/61/1383642161.db2.gz AOWQYHDLLQSMGG-OKILXGFUSA-N 1 0 333.432 3.075 10 5 EGBERO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001307428275 1383988394 /nfs/dbraw/zinc/98/83/94/1383988394.db2.gz DZRSNVYGQCIMKK-KRWDZBQOSA-N 1 0 328.416 3.098 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@]12C[C@@H]1CCCC2 ZINC001307998359 1384072201 /nfs/dbraw/zinc/07/22/01/1384072201.db2.gz MVOIGTHDCMBYKM-SUNYJGFJSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC001308010353 1384073906 /nfs/dbraw/zinc/07/39/06/1384073906.db2.gz MCMHFWPVTVZQPV-SFHVURJKSA-N 1 0 346.358 3.266 10 5 EGBERO CC(C)C(=O)NCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001318989519 1385913309 /nfs/dbraw/zinc/91/33/09/1385913309.db2.gz ZWLCJCSMQIAZFU-UHFFFAOYSA-N 1 0 341.411 3.157 10 5 EGBERO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H](CCF)C3)c2)cc1 ZINC001350480449 1391469592 /nfs/dbraw/zinc/46/95/92/1391469592.db2.gz RVUJSECEOQVZHS-AWEZNQCLSA-N 1 0 332.379 3.487 10 5 EGBERO CC[N@H+](CCNC(=O)c1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001481013743 1393090991 /nfs/dbraw/zinc/09/09/91/1393090991.db2.gz KXVBBZRRBUMMST-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO O=C(CCC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001490866451 1394364763 /nfs/dbraw/zinc/36/47/63/1394364763.db2.gz SRSUDLSANLVSRI-QAQDUYKDSA-N 1 0 345.443 3.302 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001700182047 1413596946 /nfs/dbraw/zinc/59/69/46/1413596946.db2.gz LUGVAWUOVHLZLL-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO C[N@H+](CCCNC(=O)C(F)=C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001707369515 1417297904 /nfs/dbraw/zinc/29/79/04/1417297904.db2.gz TTWCPDSHHHFJNW-UHFFFAOYSA-N 1 0 349.406 3.331 10 5 EGBERO CC[N@H+](CCNC(=O)c1cscc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001714580878 1419320100 /nfs/dbraw/zinc/32/01/00/1419320100.db2.gz LRTFMVPJSJPGHR-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC/C(C)=C\C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715089884 1419829979 /nfs/dbraw/zinc/82/99/79/1419829979.db2.gz AOGGZHNENXOXFZ-QINSGFPZSA-N 1 0 345.443 3.470 10 5 EGBERO CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001724598318 1424930071 /nfs/dbraw/zinc/93/00/71/1424930071.db2.gz WOPRJLJVDFBWLB-ACHSLPGTSA-N 1 0 345.443 3.254 10 5 EGBERO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001733713816 1429931276 /nfs/dbraw/zinc/93/12/76/1429931276.db2.gz PONSIXVBADIJDS-AUWJEWJLSA-N 1 0 331.416 3.080 10 5 EGBERO CCC1(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001733775745 1430018925 /nfs/dbraw/zinc/01/89/25/1430018925.db2.gz KJBJVUAEMBRRCY-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001198219770 1126155007 /nfs/dbraw/zinc/15/50/07/1126155007.db2.gz SBISHPHGZXPWNA-QGZVFWFLSA-N 1 0 334.803 3.332 10 5 EGBERO CC[C@@H](NC(=O)N(CC)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000189863278 529606317 /nfs/dbraw/zinc/60/63/17/529606317.db2.gz JFXPISGODWWKSU-MRXNPFEDSA-N 1 0 336.436 3.029 10 5 EGBERO Cn1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000155275199 529933401 /nfs/dbraw/zinc/93/34/01/529933401.db2.gz HJRWUGIFICKVSY-UHFFFAOYSA-N 1 0 342.321 3.022 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000183646027 235181166 /nfs/dbraw/zinc/18/11/66/235181166.db2.gz KFHIDBZGIWBZKE-UHFFFAOYSA-N 1 0 347.459 3.028 10 5 EGBERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119676344 221375566 /nfs/dbraw/zinc/37/55/66/221375566.db2.gz KIFFNGZWQXFJNI-AWEZNQCLSA-N 1 0 339.395 3.143 10 5 EGBERO Cc1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000043148214 140824257 /nfs/dbraw/zinc/82/42/57/140824257.db2.gz IEILPTZPGKYRBW-MRXNPFEDSA-N 1 0 342.399 3.328 10 5 EGBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000303586073 154047320 /nfs/dbraw/zinc/04/73/20/154047320.db2.gz QNEUGBYZPMQVSW-HKUYNNGSSA-N 1 0 346.427 3.157 10 5 EGBERO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311076463 154147261 /nfs/dbraw/zinc/14/72/61/154147261.db2.gz FASXIAIRXBIOLL-SFHVURJKSA-N 1 0 343.402 3.440 10 5 EGBERO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368864788 157310285 /nfs/dbraw/zinc/31/02/85/157310285.db2.gz BIHUSRWBDQLPEF-KRWDZBQOSA-N 1 0 345.399 3.033 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000089640665 161890280 /nfs/dbraw/zinc/89/02/80/161890280.db2.gz OHWWIQLSYNFWEP-ZDUSSCGKSA-N 1 0 347.440 3.435 10 5 EGBERO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 ZINC000113321118 162209456 /nfs/dbraw/zinc/20/94/56/162209456.db2.gz UEPZMGGVEWOJSQ-ABAIWWIYSA-N 1 0 333.413 3.375 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128894378 162338594 /nfs/dbraw/zinc/33/85/94/162338594.db2.gz PMRGVPVKJNRZOB-CVEARBPZSA-N 1 0 330.388 3.073 10 5 EGBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@H]1C ZINC000338873843 163369289 /nfs/dbraw/zinc/36/92/89/163369289.db2.gz WHTKOAPLDCYYQO-CHWSQXEVSA-N 1 0 344.415 3.069 10 5 EGBERO COc1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000352404145 165383787 /nfs/dbraw/zinc/38/37/87/165383787.db2.gz CNWWKXOCFJQMSQ-LJQANCHMSA-N 1 0 342.395 3.349 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCSC[C@@H]2CCO)o1 ZINC000355080860 166101494 /nfs/dbraw/zinc/10/14/94/166101494.db2.gz MYYDPGSZINVCEK-ZDUSSCGKSA-N 1 0 348.424 3.155 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(CNCc3ncccc3O)cs2)c1 ZINC000355287623 166154788 /nfs/dbraw/zinc/15/47/88/166154788.db2.gz HNVBAUCPQYFXDE-UHFFFAOYSA-N 1 0 342.380 3.109 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359554688 167190454 /nfs/dbraw/zinc/19/04/54/167190454.db2.gz JJQWPRJXOFATNB-ACJLOTCBSA-N 1 0 331.416 3.354 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177528421 265261190 /nfs/dbraw/zinc/26/11/90/265261190.db2.gz KEWGBOPYZQRYJH-BFHYXJOUSA-N 1 0 347.415 3.052 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000273494541 267049071 /nfs/dbraw/zinc/04/90/71/267049071.db2.gz WZMTWFSHFVMSFS-UHFFFAOYSA-N 1 0 326.400 3.188 10 5 EGBERO C[NH+](C)CCCC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278521400 268031240 /nfs/dbraw/zinc/03/12/40/268031240.db2.gz SJWZNEMVANZARJ-UHFFFAOYSA-N 1 0 331.420 3.029 10 5 EGBERO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555308 274319439 /nfs/dbraw/zinc/31/94/39/274319439.db2.gz KENKIBNXMYOIQT-BJZITVGISA-N 1 0 343.427 3.212 10 5 EGBERO COc1ccc(C[C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000278681857 275265222 /nfs/dbraw/zinc/26/52/22/275265222.db2.gz MEXWNFSHVQGUBJ-LBPRGKRZSA-N 1 0 340.383 3.201 10 5 EGBERO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000342474214 277727700 /nfs/dbraw/zinc/72/77/00/277727700.db2.gz QLVABAKJOCEISH-PBHICJAKSA-N 1 0 333.432 3.283 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279772055 278357788 /nfs/dbraw/zinc/35/77/88/278357788.db2.gz SKRPUUSTXRLHQQ-HIFRSBDPSA-N 1 0 349.431 3.330 10 5 EGBERO CCC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162532663 307913799 /nfs/dbraw/zinc/91/37/99/307913799.db2.gz FOVSRZGYPFFVME-GOSISDBHSA-N 1 0 341.411 3.456 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000249030425 308017288 /nfs/dbraw/zinc/01/72/88/308017288.db2.gz FDNVZSRPCOQMLX-NIKGAXFTSA-N 1 0 326.396 3.435 10 5 EGBERO C[C@H]([NH3+])[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415018354 309114534 /nfs/dbraw/zinc/11/45/34/309114534.db2.gz QUXSRMQINNQIRX-RYUDHWBXSA-N 1 0 333.363 3.352 10 5 EGBERO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415702790 309141376 /nfs/dbraw/zinc/14/13/76/309141376.db2.gz PVALHVHOPCHQLZ-CYBMUJFWSA-N 1 0 334.420 3.108 10 5 EGBERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417147654 309195062 /nfs/dbraw/zinc/19/50/62/309195062.db2.gz ZSHQWFMEKRXCJZ-OLZOCXBDSA-N 1 0 342.399 3.175 10 5 EGBERO Cc1sc(C(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000419910253 309273202 /nfs/dbraw/zinc/27/32/02/309273202.db2.gz OGGJUMOBXVTTKL-UHFFFAOYSA-N 1 0 325.434 3.007 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393939 309286128 /nfs/dbraw/zinc/28/61/28/309286128.db2.gz ZETDXWXZPARBLT-ULFGMLNVSA-N 1 0 329.375 3.222 10 5 EGBERO CC[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000421371340 309321284 /nfs/dbraw/zinc/32/12/84/309321284.db2.gz CLKMLHGKMBWFMG-WCQYABFASA-N 1 0 330.331 3.243 10 5 EGBERO N[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247153 309392230 /nfs/dbraw/zinc/39/22/30/309392230.db2.gz QCZROXMZKULOBP-ZWKOTPCHSA-N 1 0 325.412 3.206 10 5 EGBERO COc1ccc(OCC[NH2+][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000445770980 309947050 /nfs/dbraw/zinc/94/70/50/309947050.db2.gz AWQYBLYPEZPMGQ-SFHVURJKSA-N 1 0 343.383 3.118 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449665806 310079062 /nfs/dbraw/zinc/07/90/62/310079062.db2.gz DCTSXJGNGOYAAC-FZOXRXHISA-N 1 0 344.333 3.243 10 5 EGBERO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451357326 310173954 /nfs/dbraw/zinc/17/39/54/310173954.db2.gz YPXVPFPWLRFQER-ZMSDIMECSA-N 1 0 334.416 3.119 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000451544720 310184440 /nfs/dbraw/zinc/18/44/40/310184440.db2.gz FMXYCUJQXHCBCA-OCCSQVGLSA-N 1 0 332.322 3.088 10 5 EGBERO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000452186332 310217470 /nfs/dbraw/zinc/21/74/70/310217470.db2.gz WVUQJVDQTXWUFY-AWEZNQCLSA-N 1 0 333.432 3.284 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCC2CCOCC2)n1 ZINC000453227576 310265277 /nfs/dbraw/zinc/26/52/77/310265277.db2.gz FVZMTYFAMSBXGC-HZPDHXFCSA-N 1 0 336.436 3.071 10 5 EGBERO COc1cc(C[NH2+]CCC2CC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000453583798 310282936 /nfs/dbraw/zinc/28/29/36/310282936.db2.gz DGHDNMAWZGYJFE-UHFFFAOYSA-N 1 0 330.331 3.137 10 5 EGBERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153082 310390857 /nfs/dbraw/zinc/39/08/57/310390857.db2.gz WMZOBTHKSIHGHV-SJLPKXTDSA-N 1 0 345.443 3.175 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456276677 310396184 /nfs/dbraw/zinc/39/61/84/310396184.db2.gz NVSPIRXJZMJALM-KRWDZBQOSA-N 1 0 340.383 3.099 10 5 EGBERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514814628 312246707 /nfs/dbraw/zinc/24/67/07/312246707.db2.gz SXEXGTQDHRZZFI-INIZCTEOSA-N 1 0 339.399 3.019 10 5 EGBERO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515649481 312292728 /nfs/dbraw/zinc/29/27/28/312292728.db2.gz ABHFYZMJWQUIBU-KRWDZBQOSA-N 1 0 331.803 3.306 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000517018312 312358346 /nfs/dbraw/zinc/35/83/46/312358346.db2.gz KRTJLFJZYPKLNY-UHFFFAOYSA-N 1 0 346.431 3.155 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000536842662 314149230 /nfs/dbraw/zinc/14/92/30/314149230.db2.gz ADLCAMCNYHDQGP-WCQYABFASA-N 1 0 341.358 3.479 10 5 EGBERO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000539378341 314310003 /nfs/dbraw/zinc/31/00/03/314310003.db2.gz ZQTCTBIQFIJFBF-OAHLLOKOSA-N 1 0 330.384 3.341 10 5 EGBERO COc1nc(C)cc(C)c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554241473 315304419 /nfs/dbraw/zinc/30/44/19/315304419.db2.gz KMCTZDODAWDKQI-UHFFFAOYSA-N 1 0 327.384 3.174 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000565174593 316282507 /nfs/dbraw/zinc/28/25/07/316282507.db2.gz SIAWVCBFTDPHJR-AWEZNQCLSA-N 1 0 327.384 3.296 10 5 EGBERO CC(C)n1nccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571718254 317236507 /nfs/dbraw/zinc/23/65/07/317236507.db2.gz LKIZPEMAALWUFT-UHFFFAOYSA-N 1 0 327.388 3.186 10 5 EGBERO Cc1ccnc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000572056715 317284276 /nfs/dbraw/zinc/28/42/76/317284276.db2.gz YNCLXYJHUAJHSB-CYBMUJFWSA-N 1 0 338.367 3.429 10 5 EGBERO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572640802 317368665 /nfs/dbraw/zinc/36/86/65/317368665.db2.gz VIFJLOUSMBFVLS-LLVKDONJSA-N 1 0 327.388 3.011 10 5 EGBERO C[C@H]1C[C@@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301411796 456110209 /nfs/dbraw/zinc/11/02/09/456110209.db2.gz KJXWKHSMLMCVCY-JQWIXIFHSA-N 1 0 342.237 3.276 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000185058382 323686419 /nfs/dbraw/zinc/68/64/19/323686419.db2.gz YJUGFXSKGXEUAO-LBPRGKRZSA-N 1 0 348.428 3.429 10 5 EGBERO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000379683021 324241335 /nfs/dbraw/zinc/24/13/35/324241335.db2.gz ZNVVETGJEYHKTJ-ZBFHGGJFSA-N 1 0 326.400 3.455 10 5 EGBERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000578708221 325005675 /nfs/dbraw/zinc/00/56/75/325005675.db2.gz OPHFJALCWYUIAQ-LESCRADOSA-N 1 0 345.443 3.172 10 5 EGBERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000052816701 453845432 /nfs/dbraw/zinc/84/54/32/453845432.db2.gz XPFNUXJQPHWXAK-MRXNPFEDSA-N 1 0 328.372 3.019 10 5 EGBERO COC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181700315 455374496 /nfs/dbraw/zinc/37/44/96/455374496.db2.gz LDCCDMRFYOMOIF-SFHVURJKSA-N 1 0 330.384 3.341 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083550671 453950806 /nfs/dbraw/zinc/95/08/06/453950806.db2.gz YVYNKRPZQSRGKN-CMPLNLGQSA-N 1 0 340.221 3.030 10 5 EGBERO Cc1sc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055758388 454012604 /nfs/dbraw/zinc/01/26/04/454012604.db2.gz YRKLDQVGSMEKAH-GRYCIOLGSA-N 1 0 339.461 3.061 10 5 EGBERO Cc1[nH]c(C[N@@H+](C)[C@H]2CCCC[C@@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095976604 454247040 /nfs/dbraw/zinc/24/70/40/454247040.db2.gz CILABTHQFNHAID-HOTGVXAUSA-N 1 0 344.415 3.029 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120312684 454285271 /nfs/dbraw/zinc/28/52/71/454285271.db2.gz SLSDAIXDWBRRAQ-CYBMUJFWSA-N 1 0 344.415 3.070 10 5 EGBERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090551093 454319721 /nfs/dbraw/zinc/31/97/21/454319721.db2.gz HDQKPHUPFYOUOD-PBHICJAKSA-N 1 0 348.447 3.077 10 5 EGBERO Cn1cc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000102423732 454505360 /nfs/dbraw/zinc/50/53/60/454505360.db2.gz BBOPPMCCVOIQBY-UHFFFAOYSA-N 1 0 342.424 3.389 10 5 EGBERO COc1cc(C[N@H+](C)CCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000092150197 454529114 /nfs/dbraw/zinc/52/91/14/454529114.db2.gz KGLJWXWBVQPJHT-UHFFFAOYSA-N 1 0 348.374 3.426 10 5 EGBERO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162539208 454782617 /nfs/dbraw/zinc/78/26/17/454782617.db2.gz OBMXQTSIDQHWPV-KRWDZBQOSA-N 1 0 327.384 3.066 10 5 EGBERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109146874 454822962 /nfs/dbraw/zinc/82/29/62/454822962.db2.gz MBCJOSXXCCUFGD-KDOFPFPSSA-N 1 0 339.395 3.359 10 5 EGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000178675728 454967246 /nfs/dbraw/zinc/96/72/46/454967246.db2.gz YOTAHBTUFVPDSV-BLLLJJGKSA-N 1 0 347.440 3.402 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128588652 455070641 /nfs/dbraw/zinc/07/06/41/455070641.db2.gz MWVYXGQUQITGLU-INIZCTEOSA-N 1 0 343.431 3.222 10 5 EGBERO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000171967687 455104264 /nfs/dbraw/zinc/10/42/64/455104264.db2.gz CLWHOOYYQBPNAD-FZMZJTMJSA-N 1 0 331.397 3.112 10 5 EGBERO CC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000180533854 455191398 /nfs/dbraw/zinc/19/13/98/455191398.db2.gz QUPCKUVQAVJSGL-HOCLYGCPSA-N 1 0 343.431 3.365 10 5 EGBERO COc1ccccc1CC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184200868 455361079 /nfs/dbraw/zinc/36/10/79/455361079.db2.gz UVOPRXLQFHOIRW-UHFFFAOYSA-N 1 0 348.374 3.426 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000245729688 455366896 /nfs/dbraw/zinc/36/68/96/455366896.db2.gz JLMWCFPXHWCZFZ-AWEZNQCLSA-N 1 0 327.384 3.135 10 5 EGBERO COC(=O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000191576435 455498719 /nfs/dbraw/zinc/49/87/19/455498719.db2.gz SLLGFTXDVLEHQX-IBGZPJMESA-N 1 0 342.395 3.124 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182444922 455515735 /nfs/dbraw/zinc/51/57/35/455515735.db2.gz RVYNJOTZINLACV-UKRRQHHQSA-N 1 0 348.374 3.133 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000267961126 455570916 /nfs/dbraw/zinc/57/09/16/455570916.db2.gz LBCNUEIKKPTGJW-OCCSQVGLSA-N 1 0 334.420 3.158 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235699 455576805 /nfs/dbraw/zinc/57/68/05/455576805.db2.gz SMPYPVLCMPJDRU-WFASDCNBSA-N 1 0 325.840 3.410 10 5 EGBERO CN1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000283867344 455605107 /nfs/dbraw/zinc/60/51/07/455605107.db2.gz DKYGDAXOZSBOQY-RTBURBONSA-N 1 0 325.412 3.172 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249875398 455781400 /nfs/dbraw/zinc/78/14/00/455781400.db2.gz LLIKLLWBCCWDDZ-UKRRQHHQSA-N 1 0 341.415 3.073 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296432988 455937616 /nfs/dbraw/zinc/93/76/16/455937616.db2.gz LYFGWYZOBZBWHP-WBHUJUFNSA-N 1 0 342.399 3.143 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CCO)CC2)c2ccccc2)c1 ZINC000188068246 455990892 /nfs/dbraw/zinc/99/08/92/455990892.db2.gz RJVXMOGEAUAZAS-SFHVURJKSA-N 1 0 326.396 3.436 10 5 EGBERO COc1cc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000301616553 456163539 /nfs/dbraw/zinc/16/35/39/456163539.db2.gz JUMZPUIWMKYMPN-GFCCVEGCSA-N 1 0 325.384 3.419 10 5 EGBERO COc1cc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000301618618 456163711 /nfs/dbraw/zinc/16/37/11/456163711.db2.gz LFPATEMJGBIMHA-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000297532225 456245021 /nfs/dbraw/zinc/24/50/21/456245021.db2.gz IHQMVGOQPZLXKF-JKIFEVAISA-N 1 0 348.447 3.028 10 5 EGBERO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C1 ZINC000340153070 456283924 /nfs/dbraw/zinc/28/39/24/456283924.db2.gz XLVYCJBAEKDNNM-HNNXBMFYSA-N 1 0 340.427 3.256 10 5 EGBERO COc1cc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000352782335 456301802 /nfs/dbraw/zinc/30/18/02/456301802.db2.gz CWJOKSIXFGDBPA-GFCCVEGCSA-N 1 0 343.383 3.413 10 5 EGBERO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783298 456303050 /nfs/dbraw/zinc/30/30/50/456303050.db2.gz JESIROPQXCHWLJ-NVXWUHKLSA-N 1 0 345.443 3.052 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302160835 456303320 /nfs/dbraw/zinc/30/33/20/456303320.db2.gz PCUZXJKZODGJFC-NSHDSACASA-N 1 0 329.347 3.483 10 5 EGBERO Cc1ccc2cc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000601148948 460732141 /nfs/dbraw/zinc/73/21/41/460732141.db2.gz HUKVSLWDCDLOSM-LJQANCHMSA-N 1 0 339.395 3.382 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000345011637 456896133 /nfs/dbraw/zinc/89/61/33/456896133.db2.gz LDHDMXNVXMWVQN-GMNBZTITSA-N 1 0 340.379 3.428 10 5 EGBERO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000341723095 456915457 /nfs/dbraw/zinc/91/54/57/456915457.db2.gz QXGXWZTUBJKZCW-UHFFFAOYSA-N 1 0 333.432 3.356 10 5 EGBERO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000342344487 457248132 /nfs/dbraw/zinc/24/81/32/457248132.db2.gz NXBOMMQCPQMLGX-MRXNPFEDSA-N 1 0 332.404 3.214 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373967036 457419461 /nfs/dbraw/zinc/41/94/61/457419461.db2.gz DHPULJIMYSVFFL-UHFFFAOYSA-N 1 0 332.404 3.042 10 5 EGBERO Cn1cc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000352567105 457472026 /nfs/dbraw/zinc/47/20/26/457472026.db2.gz HPCQVRXIRSDFDE-LJQANCHMSA-N 1 0 336.395 3.250 10 5 EGBERO CC[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000360999021 457499674 /nfs/dbraw/zinc/49/96/74/457499674.db2.gz RLOHBXBUNWQMOG-INIZCTEOSA-N 1 0 328.416 3.448 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361075064 457565707 /nfs/dbraw/zinc/56/57/07/457565707.db2.gz RPXCGBINSBZKJP-OAHLLOKOSA-N 1 0 332.448 3.471 10 5 EGBERO CSc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000370195925 457581425 /nfs/dbraw/zinc/58/14/25/457581425.db2.gz WTMSRKVZLVHLRB-UHFFFAOYSA-N 1 0 349.456 3.063 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000433052721 457653223 /nfs/dbraw/zinc/65/32/23/457653223.db2.gz MMAPXMHVXZHNJO-PIMMBPRGSA-N 1 0 347.415 3.100 10 5 EGBERO Cc1cn2c(n1)CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000374702989 457691284 /nfs/dbraw/zinc/69/12/84/457691284.db2.gz UBUNKCRDNHBDIE-UHFFFAOYSA-N 1 0 338.367 3.376 10 5 EGBERO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358164042 457828181 /nfs/dbraw/zinc/82/81/81/457828181.db2.gz MMLGZUZJUHLYAU-XJKSGUPXSA-N 1 0 336.436 3.074 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412041421 458061871 /nfs/dbraw/zinc/06/18/71/458061871.db2.gz LGXPWZNOSFVJEA-LBPRGKRZSA-N 1 0 335.404 3.052 10 5 EGBERO Cn1cc(C[NH2+][C@H]2CC23CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428548829 458167435 /nfs/dbraw/zinc/16/74/35/458167435.db2.gz ONEANMASTLGEFV-INIZCTEOSA-N 1 0 326.400 3.418 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1ccccc1 ZINC000468748404 458533325 /nfs/dbraw/zinc/53/33/25/458533325.db2.gz QMJCIOKCSCAUSE-QWSHFYNQSA-N 1 0 326.396 3.364 10 5 EGBERO Cc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373573713 458537323 /nfs/dbraw/zinc/53/73/23/458537323.db2.gz NSAXVMMALIGVMS-UHFFFAOYSA-N 1 0 332.404 3.042 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCCC(C)(C)C1 ZINC000438333099 458563562 /nfs/dbraw/zinc/56/35/62/458563562.db2.gz GKOMUTWIQUTFHU-SFHVURJKSA-N 1 0 336.432 3.414 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000594507976 459067673 /nfs/dbraw/zinc/06/76/73/459067673.db2.gz RNJMAKLEFIPKNN-BJZITVGISA-N 1 0 339.395 3.487 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000594591203 459100310 /nfs/dbraw/zinc/10/03/10/459100310.db2.gz HNIOPWGFPRRSIJ-JGZJWPJOSA-N 1 0 328.210 3.109 10 5 EGBERO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000594739831 459147262 /nfs/dbraw/zinc/14/72/62/459147262.db2.gz YDKFJLSZMIPLMO-SJLPKXTDSA-N 1 0 345.830 3.484 10 5 EGBERO CC(C)[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000578360990 459189090 /nfs/dbraw/zinc/18/90/90/459189090.db2.gz OMTDPEPDBKACAS-KDOFPFPSSA-N 1 0 331.416 3.412 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(F)(F)F ZINC000558697685 459199009 /nfs/dbraw/zinc/19/90/09/459199009.db2.gz PHVCMDFTAQRTJT-JTQLQIEISA-N 1 0 347.337 3.490 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093168 459243427 /nfs/dbraw/zinc/24/34/27/459243427.db2.gz GDIMKEPTCCBWDP-CYBMUJFWSA-N 1 0 342.386 3.446 10 5 EGBERO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595384961 459288078 /nfs/dbraw/zinc/28/80/78/459288078.db2.gz TWWYKYWYFAYHOB-SFHVURJKSA-N 1 0 343.402 3.440 10 5 EGBERO CCOC(=O)CCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595388265 459289090 /nfs/dbraw/zinc/28/90/90/459289090.db2.gz DYJOZVODABEMCC-UHFFFAOYSA-N 1 0 338.379 3.289 10 5 EGBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591150943 459323311 /nfs/dbraw/zinc/32/33/11/459323311.db2.gz XRTCWVAMNDUGEY-CQSZACIVSA-N 1 0 344.390 3.230 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCO[C@@H]3CC3(F)F)C2)cc1 ZINC000595519771 459332072 /nfs/dbraw/zinc/33/20/72/459332072.db2.gz CHIQVCOPRFWZIE-UKRRQHHQSA-N 1 0 326.343 3.198 10 5 EGBERO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595703848 459406259 /nfs/dbraw/zinc/40/62/59/459406259.db2.gz AGPHHEUSXSZMOE-SCLBCKFNSA-N 1 0 339.395 3.241 10 5 EGBERO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595709139 459408811 /nfs/dbraw/zinc/40/88/11/459408811.db2.gz VFMONQQBVIYHAQ-OGHNNQOOSA-N 1 0 339.395 3.240 10 5 EGBERO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000484646590 459424327 /nfs/dbraw/zinc/42/43/27/459424327.db2.gz XXNWUBKSLAYJRR-DLBZAZTESA-N 1 0 344.415 3.080 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000484648541 459424391 /nfs/dbraw/zinc/42/43/91/459424391.db2.gz JNMAYZMFMVBONC-MSOLQXFVSA-N 1 0 341.411 3.073 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC(F)CC1 ZINC000595818050 459450618 /nfs/dbraw/zinc/45/06/18/459450618.db2.gz CSYXSNBMNDGIMX-QROZZAMVSA-N 1 0 349.406 3.207 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595852263 459464768 /nfs/dbraw/zinc/46/47/68/459464768.db2.gz YWVRIQQDHUGMGG-LSDHHAIUSA-N 1 0 333.432 3.201 10 5 EGBERO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210128 459534423 /nfs/dbraw/zinc/53/44/23/459534423.db2.gz NWZJQQJOJDAGED-CVEARBPZSA-N 1 0 344.411 3.336 10 5 EGBERO COc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596155424 459541584 /nfs/dbraw/zinc/54/15/84/459541584.db2.gz JXPSQJCQEOEUNY-NXEZZACHSA-N 1 0 325.796 3.294 10 5 EGBERO COC(=O)c1c(Cl)c(NCCc2ncccc2C)ccc1[N+](=O)[O-] ZINC000596254917 459576020 /nfs/dbraw/zinc/57/60/20/459576020.db2.gz NDSJSQRCAKEKGX-UHFFFAOYSA-N 1 0 349.774 3.393 10 5 EGBERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592339852 459576770 /nfs/dbraw/zinc/57/67/70/459576770.db2.gz IJXZYIFZZBJDAZ-GHMZBOCLSA-N 1 0 337.445 3.095 10 5 EGBERO CCC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397537 459592110 /nfs/dbraw/zinc/59/21/10/459592110.db2.gz NIJCNKNIVNDHPQ-AEFFLSMTSA-N 1 0 336.432 3.203 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1[N+](=O)[O-] ZINC000592516968 459622122 /nfs/dbraw/zinc/62/21/22/459622122.db2.gz LVPFKOACHQIUBT-OAHLLOKOSA-N 1 0 341.415 3.195 10 5 EGBERO O=[N+]([O-])c1cc(CO)cc(-c2cc(C[NH+]3CCCC3)ccc2F)c1 ZINC000592986788 459732039 /nfs/dbraw/zinc/73/20/39/459732039.db2.gz QANJBTNBGQDMRH-UHFFFAOYSA-N 1 0 330.359 3.489 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000597116068 459841023 /nfs/dbraw/zinc/84/10/23/459841023.db2.gz DAOTUCXZBMFKOE-GXTWGEPZSA-N 1 0 330.306 3.271 10 5 EGBERO C[C@H]1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)C1O ZINC000597206436 459876688 /nfs/dbraw/zinc/87/66/88/459876688.db2.gz RIKYCTFQDNHBAI-RYUDHWBXSA-N 1 0 347.440 3.167 10 5 EGBERO C[C@]12COC[C@@H]1C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000597211067 459879148 /nfs/dbraw/zinc/87/91/48/459879148.db2.gz KVSRAXJSQVQFRI-GUYCJALGSA-N 1 0 345.424 3.187 10 5 EGBERO CCC[N@H+](C)C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465348 459897030 /nfs/dbraw/zinc/89/70/30/459897030.db2.gz NXORKPAUMXPITJ-AWEZNQCLSA-N 1 0 328.416 3.311 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c(Cl)c1 ZINC000593652592 459941860 /nfs/dbraw/zinc/94/18/60/459941860.db2.gz HLQNNWJYEVFAJQ-GOSISDBHSA-N 1 0 346.814 3.214 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000593716968 459962998 /nfs/dbraw/zinc/96/29/98/459962998.db2.gz WGFBIGMJOCGHSJ-YWZLYKJASA-N 1 0 340.423 3.430 10 5 EGBERO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCCO1 ZINC000594040585 460069311 /nfs/dbraw/zinc/06/93/11/460069311.db2.gz HCADAKPZTLAKSE-HUUCEWRRSA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594040576 460069518 /nfs/dbraw/zinc/06/95/18/460069518.db2.gz HABQOAVOMZCLAO-WBVHZDCISA-N 1 0 349.431 3.169 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000589510863 460096828 /nfs/dbraw/zinc/09/68/28/460096828.db2.gz RFOOQHOOJJLXKM-MJEQTWJJSA-N 1 0 332.400 3.392 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCc2cccs2)c1 ZINC000589503465 460097227 /nfs/dbraw/zinc/09/72/27/460097227.db2.gz RNCYIGAYXDVTIQ-UHFFFAOYSA-N 1 0 334.397 3.117 10 5 EGBERO COc1ccc(C[NH2+][C@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000598987556 460119088 /nfs/dbraw/zinc/11/90/88/460119088.db2.gz RJMMQTZJCNIATN-CQSZACIVSA-N 1 0 328.368 3.005 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598999984 460123580 /nfs/dbraw/zinc/12/35/80/460123580.db2.gz PSSFVGMAWKFEBK-QGZVFWFLSA-N 1 0 333.432 3.100 10 5 EGBERO C/C=C/C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000599006378 460124936 /nfs/dbraw/zinc/12/49/36/460124936.db2.gz WCHORWFPLAUZDD-ONEGZZNKSA-N 1 0 334.294 3.210 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000599055026 460142701 /nfs/dbraw/zinc/14/27/01/460142701.db2.gz FECKKWMMILYXRT-TZMCWYRMSA-N 1 0 340.305 3.172 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075071 460152357 /nfs/dbraw/zinc/15/23/57/460152357.db2.gz SDSPXOZAEAGZHI-PXAZEXFGSA-N 1 0 325.368 3.072 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000599073434 460152806 /nfs/dbraw/zinc/15/28/06/460152806.db2.gz CYHJJPHTXOXFKL-FZKQIMNGSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000599079434 460153397 /nfs/dbraw/zinc/15/33/97/460153397.db2.gz FUJPZBZRYXTMOL-CQSZACIVSA-N 1 0 340.427 3.454 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000599083063 460155282 /nfs/dbraw/zinc/15/52/82/460155282.db2.gz NYVOAKDAFGDMQV-HNNXBMFYSA-N 1 0 341.367 3.281 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599085163 460156331 /nfs/dbraw/zinc/15/63/31/460156331.db2.gz VWZSTBBMIHUUCC-AWEZNQCLSA-N 1 0 333.432 3.202 10 5 EGBERO C[C@@](CO)([NH2+]C[C@@H]1CCCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962828 460203438 /nfs/dbraw/zinc/20/34/38/460203438.db2.gz PLRBGCIYBVOIAY-ZFWWWQNUSA-N 1 0 328.359 3.217 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000599568612 460276596 /nfs/dbraw/zinc/27/65/96/460276596.db2.gz GRJVZFKPZQWFST-GOSISDBHSA-N 1 0 327.384 3.500 10 5 EGBERO C[N@H+](CCc1ccc(F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262605 460322091 /nfs/dbraw/zinc/32/20/91/460322091.db2.gz LQUHWWNBZOBUHQ-UHFFFAOYSA-N 1 0 346.358 3.180 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000611616766 460415030 /nfs/dbraw/zinc/41/50/30/460415030.db2.gz DOGNOVNGQANFHU-QGZVFWFLSA-N 1 0 340.427 3.317 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000604562338 460448906 /nfs/dbraw/zinc/44/89/06/460448906.db2.gz LJRFQEHYBUFCOV-SFHVURJKSA-N 1 0 339.395 3.032 10 5 EGBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601453157 460814071 /nfs/dbraw/zinc/81/40/71/460814071.db2.gz HCWXUEBHYZVEOH-INIZCTEOSA-N 1 0 345.443 3.006 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601791949 460900088 /nfs/dbraw/zinc/90/00/88/460900088.db2.gz RURJLRBWIOWASC-AWEZNQCLSA-N 1 0 333.432 3.031 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000601791538 460900356 /nfs/dbraw/zinc/90/03/56/460900356.db2.gz JZCCYXXOMTYQEK-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000732050381 575234154 /nfs/dbraw/zinc/23/41/54/575234154.db2.gz OKFGRTALHDENHC-WKTRQSJXSA-N 1 0 347.415 3.067 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735215290 575617198 /nfs/dbraw/zinc/61/71/98/575617198.db2.gz XCUQHKBQCULZFO-QGZVFWFLSA-N 1 0 340.379 3.335 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000742411323 576781274 /nfs/dbraw/zinc/78/12/74/576781274.db2.gz PBGUOGKCHIMZAP-BXUZGUMPSA-N 1 0 334.445 3.371 10 5 EGBERO COc1c(C(=O)O[C@@H](C)C[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000870785517 1296077562 /nfs/dbraw/zinc/07/75/62/1296077562.db2.gz PKUZKDDBLKOWME-STQMWFEESA-N 1 0 336.388 3.023 10 5 EGBERO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000301277533 1296785768 /nfs/dbraw/zinc/78/57/68/1296785768.db2.gz LUWMNFLLHRUTNH-KRWDZBQOSA-N 1 0 340.379 3.451 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000882147575 1301847390 /nfs/dbraw/zinc/84/73/90/1301847390.db2.gz NVVXITQEFVYLLL-UHFFFAOYSA-N 1 0 333.432 3.356 10 5 EGBERO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(F)c1OC ZINC000894738898 1309045476 /nfs/dbraw/zinc/04/54/76/1309045476.db2.gz FQBDGAYJKOSZCY-UHFFFAOYSA-N 1 0 348.374 3.426 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000859564451 1329018709 /nfs/dbraw/zinc/01/87/09/1329018709.db2.gz DNPKJPLQQIZOBY-ZWKOTPCHSA-N 1 0 327.384 3.154 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921721434 1322385141 /nfs/dbraw/zinc/38/51/41/1322385141.db2.gz IPDRUWXYIZWFJO-UHFFFAOYSA-N 1 0 336.779 3.017 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccnn3C3CCC3)c2c1 ZINC000922133879 1322463129 /nfs/dbraw/zinc/46/31/29/1322463129.db2.gz MGSRUZXKHUZJAC-UHFFFAOYSA-N 1 0 339.399 3.330 10 5 EGBERO Cc1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922678493 1322587217 /nfs/dbraw/zinc/58/72/17/1322587217.db2.gz KRBQNYIRAWYOPT-OCCSQVGLSA-N 1 0 332.322 3.493 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859900597 1329108602 /nfs/dbraw/zinc/10/86/02/1329108602.db2.gz CYQJTXYKVGJNJY-HUUCEWRRSA-N 1 0 341.411 3.351 10 5 EGBERO CC1(C)C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778501 1325297761 /nfs/dbraw/zinc/29/77/61/1325297761.db2.gz SNUSZNNLLSGXSO-NHYWBVRUSA-N 1 0 339.386 3.152 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC3(CCC3)O2)n1 ZINC000927010513 1327819167 /nfs/dbraw/zinc/81/91/67/1327819167.db2.gz LJVQAMIUVFRQIW-OWCLPIDISA-N 1 0 348.447 3.356 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000927014133 1327821836 /nfs/dbraw/zinc/82/18/36/1327821836.db2.gz NNPBKXGMKSKZBK-GJZGRUSLSA-N 1 0 334.416 3.282 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)O1)CCC2 ZINC000927018049 1327823231 /nfs/dbraw/zinc/82/32/31/1327823231.db2.gz XSJSYIGSQVBVNS-SJLPKXTDSA-N 1 0 346.427 3.290 10 5 EGBERO CC1(C)C[C@H]([NH2+]CCOC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000927080135 1327848569 /nfs/dbraw/zinc/84/85/69/1327848569.db2.gz PWUAMBQTFYZHHV-KRWDZBQOSA-N 1 0 334.416 3.102 10 5 EGBERO NC(=O)C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000862534427 1329493449 /nfs/dbraw/zinc/49/34/49/1329493449.db2.gz BHIXMTGMZHRMBG-QGZVFWFLSA-N 1 0 334.419 3.069 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCc3ccccc3CC2)c1 ZINC000863561969 1329563151 /nfs/dbraw/zinc/56/31/51/1329563151.db2.gz GAACHGTXQXTRDP-FQEVSTJZSA-N 1 0 340.423 3.413 10 5 EGBERO CC(=O)NCC1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000865484206 1329703823 /nfs/dbraw/zinc/70/38/23/1329703823.db2.gz CKTFNQMHJWTKQK-KTAKPFMOSA-N 1 0 333.432 3.249 10 5 EGBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866055258 1330060438 /nfs/dbraw/zinc/06/04/38/1330060438.db2.gz RXYMIZZXQWSFOW-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO CCC(=O)c1ccc(N2CCC(CC)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866061639 1330061136 /nfs/dbraw/zinc/06/11/36/1330061136.db2.gz VEABWBISTFIVLI-UHFFFAOYSA-N 1 0 333.432 3.498 10 5 EGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866273510 1330089225 /nfs/dbraw/zinc/08/92/25/1330089225.db2.gz NZHZSCUCYJATFD-RYUDHWBXSA-N 1 0 348.422 3.236 10 5 EGBERO C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000868122861 1330251934 /nfs/dbraw/zinc/25/19/34/1330251934.db2.gz RYARJSBIFJHZLK-UQHVZDHRSA-N 1 0 348.447 3.218 10 5 EGBERO CC[C@@](O)(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC001192928566 1367905482 /nfs/dbraw/zinc/90/54/82/1367905482.db2.gz LFDKUAWNRXGWKZ-CQSZACIVSA-N 1 0 332.322 3.263 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001195639709 1368463073 /nfs/dbraw/zinc/46/30/73/1368463073.db2.gz WPAUGEMHTSTPDR-DLBZAZTESA-N 1 0 348.443 3.379 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001197231318 1368767955 /nfs/dbraw/zinc/76/79/55/1368767955.db2.gz VYUVYAZRTXMZAC-IAQYHMDHSA-N 1 0 327.340 3.120 10 5 EGBERO COC(=O)C(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC001197326048 1368788566 /nfs/dbraw/zinc/78/85/66/1368788566.db2.gz NBLQAGIHQVGAMC-UHFFFAOYSA-N 1 0 340.395 3.391 10 5 EGBERO Cc1cc(-n2ccnc2)ccc1CSCc1cn(C)nc1[N+](=O)[O-] ZINC001119539195 1371363811 /nfs/dbraw/zinc/36/38/11/1371363811.db2.gz PRBQBFYWCHVIKK-UHFFFAOYSA-N 1 0 343.412 3.256 10 5 EGBERO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC001187662430 1388138619 /nfs/dbraw/zinc/13/86/19/1388138619.db2.gz BPXXPSHANZJCPV-BXUZGUMPSA-N 1 0 330.363 3.300 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c2ccncc21 ZINC001187686455 1388142260 /nfs/dbraw/zinc/14/22/60/1388142260.db2.gz OEKJYMFOGPTQQI-QGZVFWFLSA-N 1 0 334.379 3.294 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(F)=C1CCCC1 ZINC001273324679 1378098099 /nfs/dbraw/zinc/09/80/99/1378098099.db2.gz UTYQXGVVABCZDB-UHFFFAOYSA-N 1 0 349.406 3.331 10 5 EGBERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001142016788 1378405024 /nfs/dbraw/zinc/40/50/24/1378405024.db2.gz PDRYNHCQHMZCDK-GFCCVEGCSA-N 1 0 341.839 3.489 10 5 EGBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001154889466 1380373649 /nfs/dbraw/zinc/37/36/49/1380373649.db2.gz NUOPVCAILCHWFN-GFCCVEGCSA-N 1 0 349.406 3.131 10 5 EGBERO Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001162905337 1382911281 /nfs/dbraw/zinc/91/12/81/1382911281.db2.gz SJHMSVFBWOZIQB-KGLIPLIRSA-N 1 0 339.823 3.015 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC001163643530 1383094081 /nfs/dbraw/zinc/09/40/81/1383094081.db2.gz SUQAOQUPWHYAFS-UHFFFAOYSA-N 1 0 332.379 3.087 10 5 EGBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001164352196 1383180062 /nfs/dbraw/zinc/18/00/62/1383180062.db2.gz ZOGNOKUWCJHLLC-KBPBESRZSA-N 1 0 338.839 3.342 10 5 EGBERO COc1cc(NCCCCc2cc[nH+]c(N)c2)c([N+](=O)[O-])cc1OC ZINC001307219517 1383959169 /nfs/dbraw/zinc/95/91/69/1383959169.db2.gz RTQRFRTYYZAIGE-UHFFFAOYSA-N 1 0 346.387 3.024 10 5 EGBERO COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665705 1384170599 /nfs/dbraw/zinc/17/05/99/1384170599.db2.gz FIJABZKZZMDRJV-NVXWUHKLSA-N 1 0 334.416 3.049 10 5 EGBERO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171267254 1384482310 /nfs/dbraw/zinc/48/23/10/1384482310.db2.gz OCKLEUMKOUXWOS-GDBMZVCRSA-N 1 0 348.443 3.437 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCCC1 ZINC001317570358 1385346480 /nfs/dbraw/zinc/34/64/80/1385346480.db2.gz LNISBKBFCCSLMS-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080691 1386498543 /nfs/dbraw/zinc/49/85/43/1386498543.db2.gz KKPIVQNWZKEJOM-KUHUBIRLSA-N 1 0 344.411 3.200 10 5 EGBERO C[C@H]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001321375050 1386889324 /nfs/dbraw/zinc/88/93/24/1386889324.db2.gz ZIWMWZUEKGQLDB-PDYYIGBGSA-N 1 0 345.443 3.183 10 5 EGBERO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001322466178 1387191486 /nfs/dbraw/zinc/19/14/86/1387191486.db2.gz ONWVASLJCJQZMO-DYVFJYSZSA-N 1 0 346.456 3.277 10 5 EGBERO Cc1coc(C)c1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001322493344 1387195959 /nfs/dbraw/zinc/19/59/59/1387195959.db2.gz ONIUNRGQJNRLJE-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC(C)C(=O)NCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001698716719 1406360630 /nfs/dbraw/zinc/36/06/30/1406360630.db2.gz JBFVIGMWWRMHAH-UHFFFAOYSA-N 1 0 341.411 3.157 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)c(Br)c1 ZINC001329702182 1389205007 /nfs/dbraw/zinc/20/50/07/1389205007.db2.gz ADIICMWNUXBPJX-KGLIPLIRSA-N 1 0 341.205 3.159 10 5 EGBERO Cc1noc2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC001338250744 1389606165 /nfs/dbraw/zinc/60/61/65/1389606165.db2.gz TVMTZNSUXSUSNG-UHFFFAOYSA-N 1 0 326.356 3.464 10 5 EGBERO Cc1cnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111877 1390441832 /nfs/dbraw/zinc/44/18/32/1390441832.db2.gz NHWSRTCGQHSBOM-HOCLYGCPSA-N 1 0 330.363 3.295 10 5 EGBERO CC[N@H+](CCNC(=O)C=C1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480966130 1393053135 /nfs/dbraw/zinc/05/31/35/1393053135.db2.gz XADKJLDXMOHKQE-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ccoc1 ZINC001481887739 1394579220 /nfs/dbraw/zinc/57/92/20/1394579220.db2.gz AMUUKPWSHHDIGK-UHFFFAOYSA-N 1 0 349.412 3.082 10 5 EGBERO CC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001691159118 1405093534 /nfs/dbraw/zinc/09/35/34/1405093534.db2.gz XWJWPPSZSJTZQS-WKILWMFISA-N 1 0 345.443 3.160 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(F)CCCCC1 ZINC001699332081 1412644207 /nfs/dbraw/zinc/64/42/07/1412644207.db2.gz XGGQIJYZUCLOMV-SREVYHEPSA-N 1 0 349.406 3.029 10 5 EGBERO Cc1cscc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001707370889 1417298829 /nfs/dbraw/zinc/29/88/29/1417298829.db2.gz FMJLKGQEQGAWSV-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cscc1C ZINC001715726294 1420312991 /nfs/dbraw/zinc/31/29/91/1420312991.db2.gz UHQXPLMHGJQLHW-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)=C1CCCC1 ZINC001715803184 1420349724 /nfs/dbraw/zinc/34/97/24/1420349724.db2.gz KBXSMDWDKUMIPU-ONEGZZNKSA-N 1 0 347.390 3.154 10 5 EGBERO CC(C)CC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733261219 1429414785 /nfs/dbraw/zinc/41/47/85/1429414785.db2.gz UULDFIPDVIFSAY-UHFFFAOYSA-N 1 0 347.459 3.406 10 5 EGBERO CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001716996559 1421066001 /nfs/dbraw/zinc/06/60/01/1421066001.db2.gz BBFHEVFYORWKON-BJWYYQGGSA-N 1 0 345.443 3.254 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCCC1 ZINC001717209821 1421182518 /nfs/dbraw/zinc/18/25/18/1421182518.db2.gz MOVWPUBNVSUJIK-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCC1 ZINC001734016368 1437806634 /nfs/dbraw/zinc/80/66/34/1437806634.db2.gz WNNQQFJVMGNGCT-UHFFFAOYSA-N 1 0 339.461 3.031 10 5 EGBERO CS[C@H](CO)[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807795 295665850 /nfs/dbraw/zinc/66/58/50/295665850.db2.gz GVMGTTQSRAHUTJ-MORSLUCNSA-N 1 0 346.452 3.386 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000183478585 235100062 /nfs/dbraw/zinc/10/00/62/235100062.db2.gz RLORBCUKRCYBAW-KRWDZBQOSA-N 1 0 336.338 3.179 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265291213 247377365 /nfs/dbraw/zinc/37/73/65/247377365.db2.gz KMRJZMHPMNDYHE-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000130443612 285161391 /nfs/dbraw/zinc/16/13/91/285161391.db2.gz JXRONKYWEXKHPE-NUEKZKHPSA-N 1 0 341.415 3.022 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccccc1 ZINC000344795358 533408792 /nfs/dbraw/zinc/40/87/92/533408792.db2.gz RGXNWKZLCVIQNQ-NTCAYCPXSA-N 1 0 339.395 3.018 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344565542 141174055 /nfs/dbraw/zinc/17/40/55/141174055.db2.gz MMEFUHWPWFHGFV-CQSZACIVSA-N 1 0 349.456 3.016 10 5 EGBERO Cc1nn(-c2cc[nH+]cc2)cc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000346189851 141176189 /nfs/dbraw/zinc/17/61/89/141176189.db2.gz ZTFNBBOTQHIWCK-UHFFFAOYSA-N 1 0 337.383 3.116 10 5 EGBERO COc1cc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000357961685 141368810 /nfs/dbraw/zinc/36/88/10/141368810.db2.gz NFOMMVFTCMLIKV-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351770535 144304126 /nfs/dbraw/zinc/30/41/26/144304126.db2.gz HHNCVIKTQCACFA-TXEJJXNPSA-N 1 0 338.383 3.118 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153648603 152549383 /nfs/dbraw/zinc/54/93/83/152549383.db2.gz SBYCPZFISXQLJE-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000174137986 152840491 /nfs/dbraw/zinc/84/04/91/152840491.db2.gz OBFLZXZOXWKDJN-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO COc1cc(C[NH2+]Cc2ccc(C3CC3)cc2)c([N+](=O)[O-])cc1O ZINC000191684531 153215660 /nfs/dbraw/zinc/21/56/60/153215660.db2.gz UNJFCZAKOFWRSU-UHFFFAOYSA-N 1 0 328.368 3.476 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248657428 163026496 /nfs/dbraw/zinc/02/64/96/163026496.db2.gz XHXJTLZMKIONIP-HOCLYGCPSA-N 1 0 348.447 3.406 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000344206720 164126851 /nfs/dbraw/zinc/12/68/51/164126851.db2.gz FOLSOBHCVIWORO-ZDUSSCGKSA-N 1 0 330.384 3.420 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]CC[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344266567 164141662 /nfs/dbraw/zinc/14/16/62/164141662.db2.gz KKVINWHRKUJPOG-ZDUSSCGKSA-N 1 0 346.383 3.380 10 5 EGBERO C[NH+](C)CC1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352356239 165360598 /nfs/dbraw/zinc/36/05/98/165360598.db2.gz LDZCBGRKPXVZPP-UHFFFAOYSA-N 1 0 328.416 3.097 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000359096907 167065941 /nfs/dbraw/zinc/06/59/41/167065941.db2.gz LEGCGGVHCPIJLU-NVXWUHKLSA-N 1 0 326.400 3.464 10 5 EGBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000359132964 167076716 /nfs/dbraw/zinc/07/67/16/167076716.db2.gz WKRJNJRKVHCKSV-UHFFFAOYSA-N 1 0 347.459 3.108 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000360222686 167276220 /nfs/dbraw/zinc/27/62/20/167276220.db2.gz UYDHEJINEDKKPE-MCFWBGNESA-N 1 0 348.424 3.192 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366372749 168112024 /nfs/dbraw/zinc/11/20/24/168112024.db2.gz LZLNYVJMIMICIO-UHFFFAOYSA-N 1 0 332.404 3.042 10 5 EGBERO C[NH+]1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180013571 265393251 /nfs/dbraw/zinc/39/32/51/265393251.db2.gz XUPUKFLXENTMNY-LJQANCHMSA-N 1 0 325.412 3.368 10 5 EGBERO CO[C@@H](C)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000340850272 274056079 /nfs/dbraw/zinc/05/60/79/274056079.db2.gz OLNBOLKXJYVMJS-ZDUSSCGKSA-N 1 0 333.388 3.495 10 5 EGBERO O=[N+]([O-])c1cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cs1 ZINC000377733837 275033129 /nfs/dbraw/zinc/03/31/29/275033129.db2.gz YUNFCJZVLRCTFC-HNNXBMFYSA-N 1 0 329.425 3.293 10 5 EGBERO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccc([N+](=O)[O-])cc2)N1O ZINC000004189838 276099268 /nfs/dbraw/zinc/09/92/68/276099268.db2.gz COLOYSFGMWRADU-MRXNPFEDSA-N 1 0 327.340 3.076 10 5 EGBERO CC(=O)c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000287392632 276115306 /nfs/dbraw/zinc/11/53/06/276115306.db2.gz PBFGKYBCUURHNA-INIZCTEOSA-N 1 0 331.416 3.252 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000162484915 307913561 /nfs/dbraw/zinc/91/35/61/307913561.db2.gz ZSZJMAMFHPOJSK-HRCADAONSA-N 1 0 336.432 3.139 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@H](CO)C3)cs2)c1 ZINC000414574140 309090519 /nfs/dbraw/zinc/09/05/19/309090519.db2.gz MIMZJJKLRUOIRM-JSGCOSHPSA-N 1 0 347.440 3.359 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](CO)C3)o2)cc1 ZINC000414591575 309091057 /nfs/dbraw/zinc/09/10/57/309091057.db2.gz YVMLCCGMTHWXKM-HIFRSBDPSA-N 1 0 330.384 3.496 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)[C@H](O)C(F)F ZINC000296308787 308414240 /nfs/dbraw/zinc/41/42/40/308414240.db2.gz GFJYIDUQDKJYGN-GYSYKLTISA-N 1 0 348.415 3.460 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000301484626 308702132 /nfs/dbraw/zinc/70/21/32/308702132.db2.gz VOCPAVMXXWDKCQ-CYBMUJFWSA-N 1 0 337.395 3.197 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415689215 309141180 /nfs/dbraw/zinc/14/11/80/309141180.db2.gz CUPAYFIQYOSKBE-UHFFFAOYSA-N 1 0 346.431 3.324 10 5 EGBERO C[C@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415696397 309141291 /nfs/dbraw/zinc/14/12/91/309141291.db2.gz SBHLJAFXAACAAD-WCQYABFASA-N 1 0 334.420 3.154 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000415995727 309153673 /nfs/dbraw/zinc/15/36/73/309153673.db2.gz LCNXCYCDUMXZAA-GFCCVEGCSA-N 1 0 340.383 3.389 10 5 EGBERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420254358 309278190 /nfs/dbraw/zinc/27/81/90/309278190.db2.gz DBMBGUZOHBBAMP-CMPLNLGQSA-N 1 0 329.322 3.110 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420388552 309285720 /nfs/dbraw/zinc/28/57/20/309285720.db2.gz LGKQPUUEJSIRTE-UYHISHBKSA-N 1 0 329.375 3.222 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401665 309286462 /nfs/dbraw/zinc/28/64/62/309286462.db2.gz POKXFTBLLUMLOI-QAPCUYQASA-N 1 0 347.459 3.346 10 5 EGBERO CC(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421357881 309319941 /nfs/dbraw/zinc/31/99/41/309319941.db2.gz AFLINDFKNDRNQG-CTYIDZIISA-N 1 0 333.432 3.100 10 5 EGBERO COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422933999 309376796 /nfs/dbraw/zinc/37/67/96/309376796.db2.gz BXBDBYUKHLMOBY-RTBURBONSA-N 1 0 341.411 3.186 10 5 EGBERO C[C@@H]1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385163 309398257 /nfs/dbraw/zinc/39/82/57/309398257.db2.gz QNTOQNLGGINZDW-BJZITVGISA-N 1 0 325.412 3.414 10 5 EGBERO Cc1cc(NCC2(CO)CC3(CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432830716 309670029 /nfs/dbraw/zinc/67/00/29/309670029.db2.gz VFEVUUJFWSQPTN-UHFFFAOYSA-N 1 0 341.411 3.228 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451351291 310173666 /nfs/dbraw/zinc/17/36/66/310173666.db2.gz ITTDDCIWPIGHKE-ZACQAIPSSA-N 1 0 334.416 3.119 10 5 EGBERO COC[C@](C)(O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453268179 310268130 /nfs/dbraw/zinc/26/81/30/310268130.db2.gz ZIAOELGDIXJHAU-RBUKOAKNSA-N 1 0 344.411 3.061 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000460356730 310582508 /nfs/dbraw/zinc/58/25/08/310582508.db2.gz PBAVUFDVADJTAZ-GJZGRUSLSA-N 1 0 349.431 3.346 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000468634550 310691476 /nfs/dbraw/zinc/69/14/76/310691476.db2.gz FUITWEWLNOHFQT-CRPZLVSXSA-N 1 0 340.379 3.428 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000468643787 310691591 /nfs/dbraw/zinc/69/15/91/310691591.db2.gz TWHODYIQGAQVPJ-XZGNNNQISA-N 1 0 326.396 3.191 10 5 EGBERO COc1cc(CN2CC[N@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000490011309 311129620 /nfs/dbraw/zinc/12/96/20/311129620.db2.gz DXSZKEZIFPMUIM-UHFFFAOYSA-N 1 0 333.432 3.054 10 5 EGBERO C[C@@H]1C[C@@H](CCNc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641466 312165126 /nfs/dbraw/zinc/16/51/26/312165126.db2.gz BQZITDJMGZMJMP-NVXWUHKLSA-N 1 0 340.427 3.124 10 5 EGBERO C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000514701524 312239508 /nfs/dbraw/zinc/23/95/08/312239508.db2.gz ZQSDGZAFNRUJSZ-CRAIPNDOSA-N 1 0 345.443 3.175 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cnc(C2CC2)nc1 ZINC000537942239 314218296 /nfs/dbraw/zinc/21/82/96/314218296.db2.gz VCLNOPAFTIJCEZ-ZDUSSCGKSA-N 1 0 326.400 3.464 10 5 EGBERO C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000538193630 314231466 /nfs/dbraw/zinc/23/14/66/314231466.db2.gz DMBBPNKAFCTKFM-IFQILLTASA-N 1 0 332.322 3.481 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C(F)(F)F)CC1 ZINC000556921549 315484028 /nfs/dbraw/zinc/48/40/28/315484028.db2.gz ZEVNVPLIAQETGB-JTQLQIEISA-N 1 0 345.321 3.244 10 5 EGBERO Cc1cccc(NC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)[nH+]1 ZINC000171365614 323231549 /nfs/dbraw/zinc/23/15/49/323231549.db2.gz XQLIAEKNLSQAQL-CYBMUJFWSA-N 1 0 330.363 3.376 10 5 EGBERO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000379683019 324241543 /nfs/dbraw/zinc/24/15/43/324241543.db2.gz ZNVVETGJEYHKTJ-GOEBONIOSA-N 1 0 326.400 3.455 10 5 EGBERO Cc1cc(N[C@@H](CC[NH3+])C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000383267443 324254949 /nfs/dbraw/zinc/25/49/49/324254949.db2.gz HBZQCYZJKNOUKP-QMMMGPOBSA-N 1 0 338.152 3.060 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)Cc3ccccc3C1)CCC2 ZINC000580154057 325209341 /nfs/dbraw/zinc/20/93/41/325209341.db2.gz IBVXKBXPLVFONZ-LJQANCHMSA-N 1 0 338.407 3.092 10 5 EGBERO CO[C@H](Cc1ccccc1)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580992664 325318299 /nfs/dbraw/zinc/31/82/99/325318299.db2.gz MTZYGUYZXYBKDB-QGZVFWFLSA-N 1 0 326.396 3.211 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158073939 455266190 /nfs/dbraw/zinc/26/61/90/455266190.db2.gz ULJNNFQPEVPHLZ-UHFFFAOYSA-N 1 0 334.420 3.145 10 5 EGBERO C[C@@H]1C[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)C[NH2+]1 ZINC000600791778 460607921 /nfs/dbraw/zinc/60/79/21/460607921.db2.gz HKJRWSQKXXGTEE-CXAGYDPISA-N 1 0 326.396 3.262 10 5 EGBERO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000089513356 454158079 /nfs/dbraw/zinc/15/80/79/454158079.db2.gz NPRDEGQGMHXUGV-GFCCVEGCSA-N 1 0 343.383 3.413 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732274 454185952 /nfs/dbraw/zinc/18/59/52/454185952.db2.gz GHJVAHVTPUVNCG-GDBMZVCRSA-N 1 0 341.415 3.013 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@H]1CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000060877268 454318425 /nfs/dbraw/zinc/31/84/25/454318425.db2.gz MTNQADAWLOBRLP-INIZCTEOSA-N 1 0 333.432 3.458 10 5 EGBERO CC[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684690 454335376 /nfs/dbraw/zinc/33/53/76/454335376.db2.gz YUPCVAGZNSGIDB-PBHICJAKSA-N 1 0 348.447 3.029 10 5 EGBERO Cc1cnn([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000122988893 454590098 /nfs/dbraw/zinc/59/00/98/454590098.db2.gz QJMKQKITKURHMB-BBOMDTFKSA-N 1 0 326.400 3.450 10 5 EGBERO COc1ccccc1CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000104711526 454598416 /nfs/dbraw/zinc/59/84/16/454598416.db2.gz KAROISGLHKNRHM-UHFFFAOYSA-N 1 0 330.384 3.157 10 5 EGBERO Cc1cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000092657965 454603068 /nfs/dbraw/zinc/60/30/68/454603068.db2.gz FMZBKRSBJQZMSH-UHFFFAOYSA-N 1 0 346.475 3.265 10 5 EGBERO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074763970 454631346 /nfs/dbraw/zinc/63/13/46/454631346.db2.gz RIHOCNPLDRXEJR-GOEBONIOSA-N 1 0 341.415 3.016 10 5 EGBERO O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1F ZINC000153182971 454767574 /nfs/dbraw/zinc/76/75/74/454767574.db2.gz VFMZXUVBSBIQTK-UHFFFAOYSA-N 1 0 343.358 3.121 10 5 EGBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000125822440 454849871 /nfs/dbraw/zinc/84/98/71/454849871.db2.gz MRKQISUWXFZRCJ-CQSZACIVSA-N 1 0 330.384 3.242 10 5 EGBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000150856405 454903100 /nfs/dbraw/zinc/90/31/00/454903100.db2.gz MAGZRZZHVPQJOI-YGRLFVJLSA-N 1 0 340.811 3.098 10 5 EGBERO COc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000154910785 454941885 /nfs/dbraw/zinc/94/18/85/454941885.db2.gz KJNRDZBQRBGKCI-LBPRGKRZSA-N 1 0 337.395 3.196 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000179423949 455046703 /nfs/dbraw/zinc/04/67/03/455046703.db2.gz PAHSCPQENSAKED-MOFZMDFASA-N 1 0 342.395 3.302 10 5 EGBERO CCCC[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000155981959 455069449 /nfs/dbraw/zinc/06/94/49/455069449.db2.gz BLUJFPBGQJENGG-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000172616790 455164923 /nfs/dbraw/zinc/16/49/23/455164923.db2.gz GCWTVPJWFCNQJU-AAEUAGOBSA-N 1 0 347.440 3.364 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cc1[N+](=O)[O-] ZINC000180636946 455215289 /nfs/dbraw/zinc/21/52/89/455215289.db2.gz ABQTZXVLJULUDI-HIFRSBDPSA-N 1 0 343.431 3.284 10 5 EGBERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000173412800 455280079 /nfs/dbraw/zinc/28/00/79/455280079.db2.gz LWOPYCJYEVFTAL-GFCCVEGCSA-N 1 0 333.413 3.127 10 5 EGBERO Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190451086 455320185 /nfs/dbraw/zinc/32/01/85/455320185.db2.gz SMAQCXOGVFWLJZ-KRWDZBQOSA-N 1 0 340.427 3.257 10 5 EGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2ccccc2c1 ZINC000181487140 455342218 /nfs/dbraw/zinc/34/22/18/455342218.db2.gz NHIGDAKKTHCNNM-CQSZACIVSA-N 1 0 337.379 3.261 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)Nc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181551422 455354348 /nfs/dbraw/zinc/35/43/48/455354348.db2.gz UMXBLHDUUKZVNC-QGZVFWFLSA-N 1 0 343.383 3.283 10 5 EGBERO CC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])OCCCO1 ZINC000190649823 455359913 /nfs/dbraw/zinc/35/99/13/455359913.db2.gz SBYQNYWYQSYVBD-ZBFHGGJFSA-N 1 0 334.416 3.049 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245881026 455391392 /nfs/dbraw/zinc/39/13/92/455391392.db2.gz NRIRXVLKENMADS-COXVUDFISA-N 1 0 333.432 3.330 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246466887 455495455 /nfs/dbraw/zinc/49/54/55/455495455.db2.gz PUDKIDKWGBRLKG-OCCSQVGLSA-N 1 0 334.420 3.062 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000182763313 455582558 /nfs/dbraw/zinc/58/25/58/455582558.db2.gz TYKIBAWYZJNVQD-UKRRQHHQSA-N 1 0 334.420 3.097 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185690980 455598447 /nfs/dbraw/zinc/59/84/47/455598447.db2.gz MKACXXXHIYQYSW-UHFFFAOYSA-N 1 0 341.411 3.218 10 5 EGBERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1c1ccccc1[N+](=O)[O-] ZINC000252484571 455809400 /nfs/dbraw/zinc/80/94/00/455809400.db2.gz FZNKKYXOZHCMJN-HUUCEWRRSA-N 1 0 335.448 3.045 10 5 EGBERO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000261751128 455941399 /nfs/dbraw/zinc/94/13/99/455941399.db2.gz QCMPBZQEXJUXBI-CQSZACIVSA-N 1 0 337.832 3.456 10 5 EGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469224 456123303 /nfs/dbraw/zinc/12/33/03/456123303.db2.gz HUULCAKWGIUZHH-KCQAQPDRSA-N 1 0 335.835 3.477 10 5 EGBERO COc1cc(NCCc2nc3cc(F)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000301715406 456195982 /nfs/dbraw/zinc/19/59/82/456195982.db2.gz JPIUNOFGSZLTBH-UHFFFAOYSA-N 1 0 330.319 3.273 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000237093324 456232035 /nfs/dbraw/zinc/23/20/35/456232035.db2.gz ULCVWFVRUWZPKX-UHFFFAOYSA-N 1 0 343.383 3.355 10 5 EGBERO O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000302039287 456274337 /nfs/dbraw/zinc/27/43/37/456274337.db2.gz NBKVOWAJGOTVQF-QGZVFWFLSA-N 1 0 341.411 3.164 10 5 EGBERO C[NH+](C)CCCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275593917 456277595 /nfs/dbraw/zinc/27/75/95/456277595.db2.gz RMXQFCVTAZBCGW-UHFFFAOYSA-N 1 0 337.423 3.165 10 5 EGBERO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[C@H](O)CC1 ZINC000276010710 456369143 /nfs/dbraw/zinc/36/91/43/456369143.db2.gz OLWNEEINOAJRAU-KOMQPUFPSA-N 1 0 347.440 3.454 10 5 EGBERO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282430627 456512153 /nfs/dbraw/zinc/51/21/53/456512153.db2.gz MJKGWEJKMCHPED-IRXDYDNUSA-N 1 0 326.400 3.373 10 5 EGBERO COCCOCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000291090579 456525294 /nfs/dbraw/zinc/52/52/94/456525294.db2.gz XJBYJRNWYCBJMM-UHFFFAOYSA-N 1 0 344.411 3.356 10 5 EGBERO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310279704 456581495 /nfs/dbraw/zinc/58/14/95/456581495.db2.gz VZFFLROGKSNOCC-HOCLYGCPSA-N 1 0 326.400 3.312 10 5 EGBERO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301127419 456803927 /nfs/dbraw/zinc/80/39/27/456803927.db2.gz VHBQSGVUHSAGCM-HNNXBMFYSA-N 1 0 341.415 3.255 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCc3cn(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000345005329 456894762 /nfs/dbraw/zinc/89/47/62/456894762.db2.gz AWRZNAZZYUUVEO-HNNXBMFYSA-N 1 0 344.415 3.028 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000345517020 456981370 /nfs/dbraw/zinc/98/13/70/456981370.db2.gz FTEVMULJZKJYSE-INIZCTEOSA-N 1 0 341.367 3.232 10 5 EGBERO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000347412730 457412619 /nfs/dbraw/zinc/41/26/19/457412619.db2.gz KQAQYKAFZIURFH-QGZVFWFLSA-N 1 0 342.399 3.247 10 5 EGBERO Cc1ccc(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000369886335 457445071 /nfs/dbraw/zinc/44/50/71/457445071.db2.gz FSPHVFRVBDHQIJ-GFCCVEGCSA-N 1 0 342.399 3.493 10 5 EGBERO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722887 457479583 /nfs/dbraw/zinc/47/95/83/457479583.db2.gz DQWIVUFIZQYWDJ-LSDHHAIUSA-N 1 0 349.431 3.060 10 5 EGBERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012518 457493483 /nfs/dbraw/zinc/49/34/83/457493483.db2.gz DNAXGAIZADQECV-WMLDXEAASA-N 1 0 326.400 3.312 10 5 EGBERO Cn1nc2c(c1C[NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000361001002 457502669 /nfs/dbraw/zinc/50/26/69/457502669.db2.gz DHBQGRDWBQJOEA-QGZVFWFLSA-N 1 0 340.427 3.374 10 5 EGBERO Cc1cc(NCc2ccc3cc[nH]c3n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357561887 457595937 /nfs/dbraw/zinc/59/59/37/457595937.db2.gz DAMVQFWOKCNFGQ-UHFFFAOYSA-N 1 0 333.351 3.362 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)Cc2ccccc2C1 ZINC000370619526 457682989 /nfs/dbraw/zinc/68/29/89/457682989.db2.gz AWEXGJQJVVBFKD-HNNXBMFYSA-N 1 0 340.423 3.035 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000374776358 457705340 /nfs/dbraw/zinc/70/53/40/457705340.db2.gz JNVNJTPZPRRTFE-GOOCMWNKSA-N 1 0 344.390 3.378 10 5 EGBERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166791 457767232 /nfs/dbraw/zinc/76/72/32/457767232.db2.gz GZLNXOLGULZNAD-MAUKXSAKSA-N 1 0 347.459 3.018 10 5 EGBERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1csc([N+](=O)[O-])c1 ZINC000375234962 457842406 /nfs/dbraw/zinc/84/24/06/457842406.db2.gz VROOVZATPRYMKQ-UHFFFAOYSA-N 1 0 329.381 3.387 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCOC4)co2)cc1 ZINC000375297356 457868458 /nfs/dbraw/zinc/86/84/58/457868458.db2.gz UMLQPFQOVNJEMX-SFHVURJKSA-N 1 0 343.383 3.252 10 5 EGBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000367934263 457999989 /nfs/dbraw/zinc/99/99/89/457999989.db2.gz GNEGFDTUHCSIJX-ZBFHGGJFSA-N 1 0 331.416 3.249 10 5 EGBERO COc1ccc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435748581 458195157 /nfs/dbraw/zinc/19/51/57/458195157.db2.gz FVUJXFVHYVKZQR-KRWDZBQOSA-N 1 0 347.459 3.490 10 5 EGBERO CS[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000358803609 458227454 /nfs/dbraw/zinc/22/74/54/458227454.db2.gz FRTQURGURVUFIT-KBRIMQKVSA-N 1 0 335.473 3.167 10 5 EGBERO CCn1c2ccc(F)cc2nc1NCc1ccc([N+](=O)[O-])cc1C ZINC000436021832 458238070 /nfs/dbraw/zinc/23/80/70/458238070.db2.gz QTFVAMXFPMISIH-UHFFFAOYSA-N 1 0 328.347 3.446 10 5 EGBERO CC[NH+](CC)CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447686357 458330207 /nfs/dbraw/zinc/33/02/07/458330207.db2.gz DZCDGKUUYVNXFX-UHFFFAOYSA-N 1 0 331.420 3.029 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000372946389 458356354 /nfs/dbraw/zinc/35/63/54/458356354.db2.gz NQFUFOWCCVSXRO-UHFFFAOYSA-N 1 0 338.367 3.029 10 5 EGBERO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000438475741 458582692 /nfs/dbraw/zinc/58/26/92/458582692.db2.gz DCPWMNQXIURNTE-LLVKDONJSA-N 1 0 325.796 3.165 10 5 EGBERO CC[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000431863073 458636868 /nfs/dbraw/zinc/63/68/68/458636868.db2.gz CLXSBLRKWYUMMS-NVXWUHKLSA-N 1 0 333.432 3.427 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000530439751 458767347 /nfs/dbraw/zinc/76/73/47/458767347.db2.gz XFPVYLPCLKAZAS-JCGIZDLHSA-N 1 0 334.416 3.159 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441439235 458943721 /nfs/dbraw/zinc/94/37/21/458943721.db2.gz SSLMDLOOOZNZGX-SFHVURJKSA-N 1 0 334.416 3.397 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508141 459068572 /nfs/dbraw/zinc/06/85/72/459068572.db2.gz BEBGGYJHGCCEIB-CAOSSQGBSA-N 1 0 335.448 3.052 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511921 459070010 /nfs/dbraw/zinc/07/00/10/459070010.db2.gz SIRRWZJILBJFHX-TWMKSMIVSA-N 1 0 349.475 3.003 10 5 EGBERO COCC1(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000594516528 459073898 /nfs/dbraw/zinc/07/38/98/459073898.db2.gz XCKBNMVLFQYUMK-UHFFFAOYSA-N 1 0 346.383 3.380 10 5 EGBERO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1 ZINC000594956923 459192730 /nfs/dbraw/zinc/19/27/30/459192730.db2.gz YCJDBBRGJWREMX-LLVKDONJSA-N 1 0 337.326 3.485 10 5 EGBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1cccc(OC)c1 ZINC000594967952 459199361 /nfs/dbraw/zinc/19/93/61/459199361.db2.gz BGTBALAQQXCREH-GOSISDBHSA-N 1 0 330.384 3.389 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000595027184 459221360 /nfs/dbraw/zinc/22/13/60/459221360.db2.gz QNOTZGBPWQKQNR-VXGBXAGGSA-N 1 0 346.431 3.236 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000595074906 459238249 /nfs/dbraw/zinc/23/82/49/459238249.db2.gz WRGJGNRYZAWFPF-JHJVBQTASA-N 1 0 347.444 3.353 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000595078764 459239680 /nfs/dbraw/zinc/23/96/80/459239680.db2.gz ARMMDFIBSFNNNP-JCGIZDLHSA-N 1 0 340.427 3.317 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000595080574 459239789 /nfs/dbraw/zinc/23/97/89/459239789.db2.gz NCKICMHTRRMBKJ-IAQYHMDHSA-N 1 0 341.358 3.337 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595089804 459241585 /nfs/dbraw/zinc/24/15/85/459241585.db2.gz MBDFRSMMBVKTNB-DAXOMENPSA-N 1 0 336.457 3.359 10 5 EGBERO Cc1c([C@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)cccc1[N+](=O)[O-] ZINC000595099882 459245315 /nfs/dbraw/zinc/24/53/15/459245315.db2.gz PRWBWBHIAQRWIC-AWEZNQCLSA-N 1 0 333.432 3.380 10 5 EGBERO COc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000595503265 459327295 /nfs/dbraw/zinc/32/72/95/459327295.db2.gz ZKGAOWPNMJNNDN-HNNXBMFYSA-N 1 0 327.384 3.378 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CC3(O)CCSCC3)C2)cc1 ZINC000595524733 459334198 /nfs/dbraw/zinc/33/41/98/459334198.db2.gz OHEZWGCUFQMGCZ-OAHLLOKOSA-N 1 0 336.457 3.032 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000569000669 459380317 /nfs/dbraw/zinc/38/03/17/459380317.db2.gz MLOZMTJXAITNSS-IUODEOHRSA-N 1 0 326.352 3.012 10 5 EGBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485394950 459452843 /nfs/dbraw/zinc/45/28/43/459452843.db2.gz YZJQLGWCRMXOGK-HNNXBMFYSA-N 1 0 344.390 3.112 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CCC(C[NH+]3CCCC3)CC1)CCCC2 ZINC000591897333 459471138 /nfs/dbraw/zinc/47/11/38/459471138.db2.gz IXJSLAVPXDUUPX-UHFFFAOYSA-N 1 0 344.459 3.181 10 5 EGBERO COc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596083965 459514221 /nfs/dbraw/zinc/51/42/21/459514221.db2.gz ZMWKFIMLVWRMHV-LBPRGKRZSA-N 1 0 339.823 3.321 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CNCC34CC(C3)C[NH2+]4)o2)c(Cl)c1 ZINC000596110877 459526099 /nfs/dbraw/zinc/52/60/99/459526099.db2.gz VLGUMKDNBKHGKP-UHFFFAOYSA-N 1 0 347.802 3.350 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCOC1CCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132269 459530607 /nfs/dbraw/zinc/53/06/07/459530607.db2.gz FXZULHJFSLKIKV-QAQDUYKDSA-N 1 0 348.443 3.269 10 5 EGBERO COc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596134982 459532132 /nfs/dbraw/zinc/53/21/32/459532132.db2.gz QSWJXZYIYWPARD-LBPRGKRZSA-N 1 0 339.823 3.179 10 5 EGBERO CN(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583574557 459562042 /nfs/dbraw/zinc/56/20/42/459562042.db2.gz CRERKGOEASAYES-APWZRJJASA-N 1 0 339.439 3.345 10 5 EGBERO CCC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397539 459592627 /nfs/dbraw/zinc/59/26/27/459592627.db2.gz NIJCNKNIVNDHPQ-FUHWJXTLSA-N 1 0 336.432 3.203 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592425657 459598885 /nfs/dbraw/zinc/59/88/85/459598885.db2.gz HZNIIZLHHMABHC-AWEZNQCLSA-N 1 0 332.404 3.008 10 5 EGBERO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446543 459601009 /nfs/dbraw/zinc/60/10/09/459601009.db2.gz FQTRSNQEJKQIFX-YJBOKZPZSA-N 1 0 346.427 3.011 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000499255805 459629654 /nfs/dbraw/zinc/62/96/54/459629654.db2.gz ZLOOTIDIBCOAHD-JKSUJKDBSA-N 1 0 336.432 3.222 10 5 EGBERO Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422163 459632057 /nfs/dbraw/zinc/63/20/57/459632057.db2.gz BPPPZIVLZTUDLV-SFHVURJKSA-N 1 0 341.411 3.082 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccccc2C[C@@H]2CCCC[NH2+]2)c1 ZINC000596647718 459713565 /nfs/dbraw/zinc/71/35/65/459713565.db2.gz WARFPOYUHULXCW-KRWDZBQOSA-N 1 0 340.423 3.481 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545951813 459877726 /nfs/dbraw/zinc/87/77/26/459877726.db2.gz NHUHWVQMRVSPSX-OAHLLOKOSA-N 1 0 346.349 3.429 10 5 EGBERO Cc1cc(N2CCC(C3(O)CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593481144 459901353 /nfs/dbraw/zinc/90/13/53/459901353.db2.gz CZFMSCIDOBMDSJ-UHFFFAOYSA-N 1 0 327.384 3.193 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000609354373 459950675 /nfs/dbraw/zinc/95/06/75/459950675.db2.gz ZLOKPNBMJDPIER-ZIAGYGMSSA-N 1 0 328.416 3.240 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1(CO)CCC1 ZINC000593692154 459952167 /nfs/dbraw/zinc/95/21/67/459952167.db2.gz OXHHSZGXCWWEIH-DOTOQJQBSA-N 1 0 332.444 3.448 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593760866 459977011 /nfs/dbraw/zinc/97/70/11/459977011.db2.gz MEQVICXOUHCWPE-UHFFFAOYSA-N 1 0 334.420 3.143 10 5 EGBERO Cc1cnc(OC2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000594019947 460059343 /nfs/dbraw/zinc/05/93/43/460059343.db2.gz TWCLHTPHGKQMNV-CQSZACIVSA-N 1 0 342.399 3.298 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594040571 460068907 /nfs/dbraw/zinc/06/89/07/460068907.db2.gz HABQOAVOMZCLAO-DOTOQJQBSA-N 1 0 349.431 3.169 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597857594 460081737 /nfs/dbraw/zinc/08/17/37/460081737.db2.gz GHZKWXQEWMJCSX-RDJZCZTQSA-N 1 0 347.459 3.153 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4cnccc43)nc2c1 ZINC000618618943 460088885 /nfs/dbraw/zinc/08/88/85/460088885.db2.gz DBERYALDCYNYJN-UHFFFAOYSA-N 1 0 333.351 3.309 10 5 EGBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C12CCCC2 ZINC000598913887 460091473 /nfs/dbraw/zinc/09/14/73/460091473.db2.gz RLKPKDSZVDXNKE-ZDUSSCGKSA-N 1 0 338.795 3.044 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCc2ccccc2)c1 ZINC000589496488 460094887 /nfs/dbraw/zinc/09/48/87/460094887.db2.gz YIELEDRXYBXNHO-UHFFFAOYSA-N 1 0 342.395 3.446 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[N@@H+]1CCc2n[nH]cc2C1 ZINC000598937974 460096443 /nfs/dbraw/zinc/09/64/43/460096443.db2.gz ARAFHWPUXLKPHV-GUYCJALGSA-N 1 0 326.400 3.087 10 5 EGBERO CN(c1ccc2cnccc2c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000599081815 460155326 /nfs/dbraw/zinc/15/53/26/460155326.db2.gz NBWAPYRIQMUHSZ-YIONKMFJSA-N 1 0 326.400 3.204 10 5 EGBERO C[N@@H+]1CCC[C@@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599085907 460155964 /nfs/dbraw/zinc/15/59/64/460155964.db2.gz HKVVXDXRNJRGIL-GOSISDBHSA-N 1 0 326.400 3.065 10 5 EGBERO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc2sccn21 ZINC000599127005 460169309 /nfs/dbraw/zinc/16/93/09/460169309.db2.gz LQNQADIPZWDLSK-GFCCVEGCSA-N 1 0 335.433 3.123 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599569909 460276057 /nfs/dbraw/zinc/27/60/57/460276057.db2.gz QRPQVPMAVSYTGQ-GOSISDBHSA-N 1 0 327.384 3.500 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC2)CC1 ZINC000599673559 460304928 /nfs/dbraw/zinc/30/49/28/460304928.db2.gz UNYXENGUUHMRNH-CYBMUJFWSA-N 1 0 347.415 3.197 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(CC2)CC1 ZINC000599673752 460305082 /nfs/dbraw/zinc/30/50/82/460305082.db2.gz XXYUDVPCDOXCSR-UHFFFAOYSA-N 1 0 331.416 3.498 10 5 EGBERO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599768877 460329694 /nfs/dbraw/zinc/32/96/94/460329694.db2.gz PTGNDEIRBGLBDZ-OAHLLOKOSA-N 1 0 332.404 3.042 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(Cl)o1 ZINC000604478726 460432355 /nfs/dbraw/zinc/43/23/55/460432355.db2.gz IRAFUKXGDSAOQK-JTQLQIEISA-N 1 0 337.763 3.348 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228332 460450901 /nfs/dbraw/zinc/45/09/01/460450901.db2.gz JYIUXOFLSVAOJS-MRXNPFEDSA-N 1 0 331.416 3.040 10 5 EGBERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059648 460461669 /nfs/dbraw/zinc/46/16/69/460461669.db2.gz BRDVYTIBVKHBSB-HIFRSBDPSA-N 1 0 326.400 3.206 10 5 EGBERO C[NH+]1CCC(n2cc(Nc3ccc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000601225195 460756098 /nfs/dbraw/zinc/75/60/98/460756098.db2.gz DLAGVFNQYOOWKC-UHFFFAOYSA-N 1 0 335.795 3.455 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000601792532 460899554 /nfs/dbraw/zinc/89/95/54/460899554.db2.gz XFIXQXBJZUUFIM-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000601792552 460899928 /nfs/dbraw/zinc/89/99/28/460899928.db2.gz XUZHPDOKDQBNGM-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972715 460967595 /nfs/dbraw/zinc/96/75/95/460967595.db2.gz NLCULUPWMDFSCU-RZXPCSSPSA-N 1 0 326.343 3.354 10 5 EGBERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000735220143 575617591 /nfs/dbraw/zinc/61/75/91/575617591.db2.gz FSHWAKKUVPWAQD-AWEZNQCLSA-N 1 0 332.381 3.088 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccsc3)CC2)cc1 ZINC000122985368 1293430707 /nfs/dbraw/zinc/43/07/07/1293430707.db2.gz MRUDHNYIUBDEGE-UHFFFAOYSA-N 1 0 331.441 3.457 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958705 1296154688 /nfs/dbraw/zinc/15/46/88/1296154688.db2.gz ILXZROYKERKVID-UHFFFAOYSA-N 1 0 333.432 3.144 10 5 EGBERO C[C@@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786067 1296531726 /nfs/dbraw/zinc/53/17/26/1296531726.db2.gz YDMSSABWXGXCBL-JZIBPQBNSA-N 1 0 332.404 3.027 10 5 EGBERO C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051330 1296700915 /nfs/dbraw/zinc/70/09/15/1296700915.db2.gz JDLJIQYJDIIQII-GTNSWQLSSA-N 1 0 336.338 3.431 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084778 1296723851 /nfs/dbraw/zinc/72/38/51/1296723851.db2.gz KRGRMLQVHIHEMQ-NILGIDIQSA-N 1 0 328.409 3.074 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879671746 1300668288 /nfs/dbraw/zinc/66/82/88/1300668288.db2.gz OCKCQXCZDGPJMN-MCIONIFRSA-N 1 0 330.306 3.115 10 5 EGBERO Cc1sc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000893027578 1305667523 /nfs/dbraw/zinc/66/75/23/1305667523.db2.gz WSQLEOINVVBTBT-DGCLKSJQSA-N 1 0 339.461 3.300 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)O2)CO1 ZINC000895819510 1309534695 /nfs/dbraw/zinc/53/46/95/1309534695.db2.gz KKLJHCBQMJQATN-KFNAQCHYSA-N 1 0 340.807 3.064 10 5 EGBERO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929245947 1328547155 /nfs/dbraw/zinc/54/71/55/1328547155.db2.gz BSSIHBJLACXCKW-BTTYYORXSA-N 1 0 337.370 3.008 10 5 EGBERO Cc1cccc2c1C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000858459748 1328767463 /nfs/dbraw/zinc/76/74/63/1328767463.db2.gz JZOFTUQBCMCHNU-TZMCWYRMSA-N 1 0 327.384 3.140 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000858472890 1328771010 /nfs/dbraw/zinc/77/10/10/1328771010.db2.gz KCGPBIFMLMMRRC-BLLLJJGKSA-N 1 0 330.384 3.169 10 5 EGBERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859124109 1328928108 /nfs/dbraw/zinc/92/81/08/1328928108.db2.gz ZEBFIHSNASLVHR-CYBMUJFWSA-N 1 0 329.400 3.208 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000859564449 1329018587 /nfs/dbraw/zinc/01/85/87/1329018587.db2.gz DNPKJPLQQIZOBY-QZTJIDSGSA-N 1 0 327.384 3.154 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287532 1329085500 /nfs/dbraw/zinc/08/55/00/1329085500.db2.gz ZZTCPLICRZJKQR-INIZCTEOSA-N 1 0 347.459 3.151 10 5 EGBERO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[N@@H+]1C1CC1 ZINC000859964929 1329120454 /nfs/dbraw/zinc/12/04/54/1329120454.db2.gz MJFFROZXUGQKAL-OCCSQVGLSA-N 1 0 339.395 3.103 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)cccc1[N+](=O)[O-] ZINC000925858707 1325333816 /nfs/dbraw/zinc/33/38/16/1325333816.db2.gz YEEWRTKRPDNUDD-RISCZKNCSA-N 1 0 331.338 3.238 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](C3CCC3)[C@H]3CCOC3)c2c1 ZINC000926440763 1325555880 /nfs/dbraw/zinc/55/58/80/1325555880.db2.gz SFHPMEZVWGGZBB-HNAYVOBHSA-N 1 0 343.427 3.413 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000926946686 1327789604 /nfs/dbraw/zinc/78/96/04/1327789604.db2.gz DTSKVAAHKNAEIG-WHOHXGKFSA-N 1 0 332.326 3.063 10 5 EGBERO CN(C)[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000926959266 1327797729 /nfs/dbraw/zinc/79/77/29/1327797729.db2.gz QYMIERROPSORBI-OCCSQVGLSA-N 1 0 331.338 3.054 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC3(CCOCC3)O1)CCC2 ZINC000927018047 1327822329 /nfs/dbraw/zinc/82/23/29/1327822329.db2.gz XSJSYIGSQVBVNS-AEFFLSMTSA-N 1 0 346.427 3.290 10 5 EGBERO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)n1 ZINC000927057676 1327833616 /nfs/dbraw/zinc/83/36/16/1327833616.db2.gz ONEQYHILDJSAKH-JMSVASOKSA-N 1 0 342.399 3.453 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928009102 1328168751 /nfs/dbraw/zinc/16/87/51/1328168751.db2.gz KWHZVUPTKRQXGP-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO C/C=C/C[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340568 1329548525 /nfs/dbraw/zinc/54/85/25/1329548525.db2.gz LMRNVCVYBYTREF-XGACYXMMSA-N 1 0 329.404 3.284 10 5 EGBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000865453244 1329699303 /nfs/dbraw/zinc/69/93/03/1329699303.db2.gz CIBVBMAEFJCKOZ-UHFFFAOYSA-N 1 0 349.357 3.022 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000866023581 1329759931 /nfs/dbraw/zinc/75/99/31/1329759931.db2.gz UOTICGSRCYSRNI-UHFFFAOYSA-N 1 0 348.403 3.348 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866532695 1330123030 /nfs/dbraw/zinc/12/30/30/1330123030.db2.gz LVGIUZAUNZHEMS-DOTOQJQBSA-N 1 0 348.443 3.091 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866540263 1330124190 /nfs/dbraw/zinc/12/41/90/1330124190.db2.gz XKPUNFAKYYIGHX-JDFRZJQESA-N 1 0 334.416 3.317 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](CC)[NH+]2CCCC2)cc1C ZINC001184821860 1387544767 /nfs/dbraw/zinc/54/47/67/1387544767.db2.gz YLRPWWSSZQWVMI-CQSZACIVSA-N 1 0 349.431 3.366 10 5 EGBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001185565331 1387751093 /nfs/dbraw/zinc/75/10/93/1387751093.db2.gz NWTMBTOVHKRIBS-CYBMUJFWSA-N 1 0 334.376 3.179 10 5 EGBERO C/C=C(\C)C(=O)NCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001324852984 1387792746 /nfs/dbraw/zinc/79/27/46/1387792746.db2.gz RZHVCDPSNRNVLS-SYZQJQIISA-N 1 0 345.443 3.279 10 5 EGBERO CC(C)C1(C)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001193618036 1368075747 /nfs/dbraw/zinc/07/57/47/1368075747.db2.gz YJXWDXWEVGORPN-KRWDZBQOSA-N 1 0 345.443 3.458 10 5 EGBERO CCOc1cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001194497129 1368274185 /nfs/dbraw/zinc/27/41/85/1368274185.db2.gz FMVJSHFCVVAURW-QAPCUYQASA-N 1 0 338.448 3.372 10 5 EGBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC001198621039 1369075499 /nfs/dbraw/zinc/07/54/99/1369075499.db2.gz HDKPRCJEHLYTOB-WMZOPIPTSA-N 1 0 347.459 3.168 10 5 EGBERO O=[N+]([O-])c1cc(F)c(N2CC3(CN(Cc4ccccc4)C3)C2)c(F)c1 ZINC001187297687 1388090502 /nfs/dbraw/zinc/09/05/02/1388090502.db2.gz RWPHDYQQMLYDJQ-UHFFFAOYSA-N 1 0 345.349 3.195 10 5 EGBERO C[N@@H+]1C[C@@H]2CN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001187765660 1388158087 /nfs/dbraw/zinc/15/80/87/1388158087.db2.gz NANMMYFWVUQDEO-RISCZKNCSA-N 1 0 329.322 3.002 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001124129115 1372678084 /nfs/dbraw/zinc/67/80/84/1372678084.db2.gz XBUHOIZPFKNHJV-LBPRGKRZSA-N 1 0 341.839 3.027 10 5 EGBERO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326784925 1388309174 /nfs/dbraw/zinc/30/91/74/1388309174.db2.gz DLTZBLPMKCHCJW-RZNTYIFUSA-N 1 0 331.416 3.080 10 5 EGBERO CC(C)[NH+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)C ZINC001135925121 1377264782 /nfs/dbraw/zinc/26/47/82/1377264782.db2.gz WOTDVKHEMIHWJQ-UHFFFAOYSA-N 1 0 345.802 3.236 10 5 EGBERO CCC(C)(C)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269419292 1377554109 /nfs/dbraw/zinc/55/41/09/1377554109.db2.gz BLPDMGHAYRCTSO-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CN(C)c1cc[nH+]c(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001137799599 1377617740 /nfs/dbraw/zinc/61/77/40/1377617740.db2.gz DTNPGYAJKFOGCG-UHFFFAOYSA-N 1 0 348.790 3.281 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC001327660285 1388574794 /nfs/dbraw/zinc/57/47/94/1388574794.db2.gz GTSJILMXATYYEV-AWEZNQCLSA-N 1 0 332.379 3.487 10 5 EGBERO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001287941741 1381430973 /nfs/dbraw/zinc/43/09/73/1381430973.db2.gz BTNKVSHTUDTZBU-KRWDZBQOSA-N 1 0 345.443 3.430 10 5 EGBERO Cc1cc(Cl)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001162905338 1382910965 /nfs/dbraw/zinc/91/09/65/1382910965.db2.gz SJHMSVFBWOZIQB-UONOGXRCSA-N 1 0 339.823 3.015 10 5 EGBERO Cc1ccc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001164412884 1383185070 /nfs/dbraw/zinc/18/50/70/1383185070.db2.gz PWQZBKLTTOPFGU-INIZCTEOSA-N 1 0 329.375 3.063 10 5 EGBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001164572245 1383199865 /nfs/dbraw/zinc/19/98/65/1383199865.db2.gz CROGDJFFHYSIGE-UHFFFAOYSA-N 1 0 345.802 3.095 10 5 EGBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC001300086642 1383642143 /nfs/dbraw/zinc/64/21/43/1383642143.db2.gz IVXNVHKYJWJBQZ-TXEJJXNPSA-N 1 0 339.823 3.111 10 5 EGBERO CC(C)(CNc1c2ccccc2ncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC001307108958 1383941950 /nfs/dbraw/zinc/94/19/50/1383941950.db2.gz CQBPSWSUTQBHCE-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307161512 1383948186 /nfs/dbraw/zinc/94/81/86/1383948186.db2.gz WWHOQLABENVLLZ-QGZVFWFLSA-N 1 0 343.402 3.487 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001177016121 1385772908 /nfs/dbraw/zinc/77/29/08/1385772908.db2.gz VNPDDTDRAJJSPK-UHFFFAOYSA-N 1 0 328.368 3.128 10 5 EGBERO CC(C)=CC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001698623344 1406262865 /nfs/dbraw/zinc/26/28/65/1406262865.db2.gz BEIGIZKHOCNWBK-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC001321504539 1386918561 /nfs/dbraw/zinc/91/85/61/1386918561.db2.gz ICWANWGEWPUURF-INIZCTEOSA-N 1 0 348.786 3.465 10 5 EGBERO C[C@@H]1C[C@@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC001330029438 1389288127 /nfs/dbraw/zinc/28/81/27/1389288127.db2.gz KFXOEVCQLKEQMQ-MNOVXSKESA-N 1 0 349.822 3.110 10 5 EGBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC001332097939 1389981517 /nfs/dbraw/zinc/98/15/17/1389981517.db2.gz VQFSPQUWFYFTMA-UHFFFAOYSA-N 1 0 339.461 3.096 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001334946067 1390624902 /nfs/dbraw/zinc/62/49/02/1390624902.db2.gz ZSFDBXVBUMOETQ-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO O=C(C=C1CCC1)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001479867989 1392444807 /nfs/dbraw/zinc/44/48/07/1392444807.db2.gz UWLMLQNFUODYSE-UHFFFAOYSA-N 1 0 343.427 3.176 10 5 EGBERO O=C(CCC1CC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001482215863 1394808799 /nfs/dbraw/zinc/80/87/99/1394808799.db2.gz WANFOOAYMXEAQH-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC(C)=CC(=O)NCC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001484131637 1395270799 /nfs/dbraw/zinc/27/07/99/1395270799.db2.gz YYWLPDAWXCCVMP-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CCC[N@H+](CCNC(=O)c1cc(C)co1)Cc1cccc([N+](=O)[O-])c1 ZINC001691188710 1405126614 /nfs/dbraw/zinc/12/66/14/1405126614.db2.gz FQPOSWUSLPEFTL-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CCC1(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001699327931 1412641184 /nfs/dbraw/zinc/64/11/84/1412641184.db2.gz KLCWJWMBHNAWKD-BQYQJAHWSA-N 1 0 345.443 3.327 10 5 EGBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001699548635 1412918029 /nfs/dbraw/zinc/91/80/29/1412918029.db2.gz CGIZHEDTTGDJRO-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001707449261 1417353111 /nfs/dbraw/zinc/35/31/11/1417353111.db2.gz VOKOZGZAZTZFMB-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC[N@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713489262 1418186784 /nfs/dbraw/zinc/18/67/84/1418186784.db2.gz NTJOBHNJYPPNLN-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715295017 1420002085 /nfs/dbraw/zinc/00/20/85/1420002085.db2.gz JNDDGWZYAOSTKX-BNNQUZSASA-N 1 0 331.416 3.080 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C(F)=C1CCCC1 ZINC001716679696 1420834969 /nfs/dbraw/zinc/83/49/69/1420834969.db2.gz WYXOISZTRIZJRA-UHFFFAOYSA-N 1 0 347.390 3.131 10 5 EGBERO C/C=C(/C)C(=O)N1CCC(CC)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001724881366 1425261991 /nfs/dbraw/zinc/26/19/91/1425261991.db2.gz JMGXGKODIRPMHG-TVPGTPATSA-N 1 0 345.443 3.422 10 5 EGBERO CC[N@H+](CCNC(=O)c1ccc(C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731815887 1428010228 /nfs/dbraw/zinc/01/02/28/1428010228.db2.gz ZXHFGBONSUCVBW-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CC[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001731976001 1428191113 /nfs/dbraw/zinc/19/11/13/1428191113.db2.gz USOKBHRBKBLHFI-WKILWMFISA-N 1 0 347.459 3.359 10 5 EGBERO Cc1noc(C2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000368281300 168337852 /nfs/dbraw/zinc/33/78/52/168337852.db2.gz BECAXTCRHWPJNR-UHFFFAOYSA-N 1 0 330.388 3.148 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000183422066 235064626 /nfs/dbraw/zinc/06/46/26/235064626.db2.gz MLUPXVAZXIFQJU-QGZVFWFLSA-N 1 0 329.400 3.423 10 5 EGBERO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000130726135 205254309 /nfs/dbraw/zinc/25/43/09/205254309.db2.gz RKIYFONRSFVADC-UHFFFAOYSA-N 1 0 343.383 3.047 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160479937 206299579 /nfs/dbraw/zinc/29/95/79/206299579.db2.gz NXJTUMRQCGEOLG-CYBMUJFWSA-N 1 0 339.823 3.098 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000174128821 206988870 /nfs/dbraw/zinc/98/88/70/206988870.db2.gz PRUWQRQZROPCDM-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176690892 207249737 /nfs/dbraw/zinc/24/97/37/207249737.db2.gz FQCYQTSIGAXQPY-UKPHBRMFSA-N 1 0 348.447 3.170 10 5 EGBERO C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341108268 155163248 /nfs/dbraw/zinc/16/32/48/155163248.db2.gz HZMYLOZUOOEAOS-ZNMIVQPWSA-N 1 0 348.447 3.218 10 5 EGBERO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccncc2[N+](=O)[O-])C1 ZINC000340154535 155116173 /nfs/dbraw/zinc/11/61/73/155116173.db2.gz HEPXRPZOKLAWND-OAHLLOKOSA-N 1 0 340.427 3.256 10 5 EGBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125105160 162265262 /nfs/dbraw/zinc/26/52/62/162265262.db2.gz IDHBKJURTIMRBR-JTQLQIEISA-N 1 0 347.337 3.074 10 5 EGBERO CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053285 162388493 /nfs/dbraw/zinc/38/84/93/162388493.db2.gz MIYCCGMQXDCBOV-SWLSCSKDSA-N 1 0 329.404 3.325 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346084231 164333270 /nfs/dbraw/zinc/33/32/70/164333270.db2.gz JYFYSCFLNBSKLD-TXEJJXNPSA-N 1 0 339.823 3.241 10 5 EGBERO CCc1ccc(C(=O)N2CCC(C[NH+](CC)CC)CC2)cc1[N+](=O)[O-] ZINC000349459524 164884334 /nfs/dbraw/zinc/88/43/34/164884334.db2.gz MBGQBTSNOMKKPZ-UHFFFAOYSA-N 1 0 347.459 3.351 10 5 EGBERO CO[C@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000359415325 167150045 /nfs/dbraw/zinc/15/00/45/167150045.db2.gz ICMWIJWYZOOYGG-OALUTQOASA-N 1 0 342.395 3.079 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359556509 167191858 /nfs/dbraw/zinc/19/18/58/167191858.db2.gz MAIUPKUFWPASEB-SCLBCKFNSA-N 1 0 331.416 3.354 10 5 EGBERO COc1cc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000360210994 167272763 /nfs/dbraw/zinc/27/27/63/167272763.db2.gz ATLHYSMMOQYJJQ-UHFFFAOYSA-N 1 0 330.388 3.015 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177515802 265259007 /nfs/dbraw/zinc/25/90/07/265259007.db2.gz MWIDHZPPUCANNN-HUUCEWRRSA-N 1 0 331.416 3.354 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000273396481 267032719 /nfs/dbraw/zinc/03/27/19/267032719.db2.gz LDSUFFYPQABKPU-HNNXBMFYSA-N 1 0 336.457 3.438 10 5 EGBERO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275986183 267460768 /nfs/dbraw/zinc/46/07/68/267460768.db2.gz MLCFSDLGCVLMGV-HAQNSBGRSA-N 1 0 343.221 3.093 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000288776157 276251598 /nfs/dbraw/zinc/25/15/98/276251598.db2.gz BKNMLTUBEFCQIK-OCCSQVGLSA-N 1 0 347.415 3.052 10 5 EGBERO C[C@H]([NH2+]CCOC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000294944599 308274535 /nfs/dbraw/zinc/27/45/35/308274535.db2.gz AEPQNOLHOUMIJY-AWEZNQCLSA-N 1 0 328.368 3.031 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000302191472 308732703 /nfs/dbraw/zinc/73/27/03/308732703.db2.gz VUJCMRDTDOUTAZ-GFCCVEGCSA-N 1 0 325.384 3.419 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413057305 309013768 /nfs/dbraw/zinc/01/37/68/309013768.db2.gz FMCQCSQBLCBCCS-JTQLQIEISA-N 1 0 332.326 3.295 10 5 EGBERO CC[NH+]1CCC(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413168914 309019320 /nfs/dbraw/zinc/01/93/20/309019320.db2.gz LAGRFGNWGPFCRF-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415690768 309141116 /nfs/dbraw/zinc/14/11/16/309141116.db2.gz LOAYENQJAHBUSE-RISCZKNCSA-N 1 0 334.420 3.012 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000415700165 309141339 /nfs/dbraw/zinc/14/13/39/309141339.db2.gz LOETWMRHDHJPQM-SWLSCSKDSA-N 1 0 346.431 3.108 10 5 EGBERO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000418135504 309237058 /nfs/dbraw/zinc/23/70/58/309237058.db2.gz ASSVQEXVOVZSIK-KRWDZBQOSA-N 1 0 327.384 3.342 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000428554483 309555039 /nfs/dbraw/zinc/55/50/39/309555039.db2.gz ZNZPITYULOHSPW-RTBURBONSA-N 1 0 344.386 3.298 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000446885961 309970061 /nfs/dbraw/zinc/97/00/61/309970061.db2.gz CKYUPRHYTQVSEF-UHFFFAOYSA-N 1 0 329.400 3.456 10 5 EGBERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449498754 310067108 /nfs/dbraw/zinc/06/71/08/310067108.db2.gz LBFAKCDZWOJRSX-HNNXBMFYSA-N 1 0 327.384 3.383 10 5 EGBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000449760638 310085251 /nfs/dbraw/zinc/08/52/51/310085251.db2.gz QDWORCOZDOJNPR-UHFFFAOYSA-N 1 0 349.328 3.192 10 5 EGBERO COC[C@@](C)(O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453268178 310268285 /nfs/dbraw/zinc/26/82/85/310268285.db2.gz ZIAOELGDIXJHAU-OALUTQOASA-N 1 0 344.411 3.061 10 5 EGBERO COC[C@@](C)(O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453268177 310268302 /nfs/dbraw/zinc/26/83/02/310268302.db2.gz ZIAOELGDIXJHAU-MOPGFXCFSA-N 1 0 344.411 3.061 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000455410122 310359424 /nfs/dbraw/zinc/35/94/24/310359424.db2.gz HNSVREQYFIDEGF-WBMJQRKESA-N 1 0 346.431 3.060 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000475158436 310807884 /nfs/dbraw/zinc/80/78/84/310807884.db2.gz MMQVBEXLMQFKMF-DLBZAZTESA-N 1 0 345.443 3.288 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000488683851 311074928 /nfs/dbraw/zinc/07/49/28/311074928.db2.gz OHLMTNIAHJQJBP-CYBMUJFWSA-N 1 0 349.431 3.443 10 5 EGBERO CC(C)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538812761 314277859 /nfs/dbraw/zinc/27/78/59/314277859.db2.gz FGXWRVKEJROFOJ-OAHLLOKOSA-N 1 0 328.416 3.473 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000544611021 314706490 /nfs/dbraw/zinc/70/64/90/314706490.db2.gz JVOWJPQPTYNQOV-UHFFFAOYSA-N 1 0 347.459 3.028 10 5 EGBERO Cc1cc(N[C@@H]2CSC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549219505 315082281 /nfs/dbraw/zinc/08/22/81/315082281.db2.gz OPIBLNQSUJFWHJ-CYBMUJFWSA-N 1 0 330.413 3.088 10 5 EGBERO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(C)c1O ZINC000550766446 315134020 /nfs/dbraw/zinc/13/40/20/315134020.db2.gz TUYPBAHOZQBWFZ-UHFFFAOYSA-N 1 0 341.411 3.239 10 5 EGBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000563219650 315980511 /nfs/dbraw/zinc/98/05/11/315980511.db2.gz UGKPCWOFCJJVCH-LRDDRELGSA-N 1 0 333.388 3.137 10 5 EGBERO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000182040757 323522569 /nfs/dbraw/zinc/52/25/69/323522569.db2.gz RFSRPSGJHQBVIB-AWEZNQCLSA-N 1 0 337.383 3.069 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000580623744 325274855 /nfs/dbraw/zinc/27/48/55/325274855.db2.gz GCTHUKPQVYNEKZ-IAGOWNOFSA-N 1 0 331.416 3.412 10 5 EGBERO COc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000180853624 455255753 /nfs/dbraw/zinc/25/57/53/455255753.db2.gz GVBBLAVOKHIAAN-CYBMUJFWSA-N 1 0 346.383 3.342 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245396551 455286519 /nfs/dbraw/zinc/28/65/19/455286519.db2.gz LQSUUDAGMQPGEQ-XJKSGUPXSA-N 1 0 347.415 3.197 10 5 EGBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003244357 452752792 /nfs/dbraw/zinc/75/27/92/452752792.db2.gz OUTAAJRTTHDXBU-NHYWBVRUSA-N 1 0 349.412 3.205 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000600707453 460574807 /nfs/dbraw/zinc/57/48/07/460574807.db2.gz HPZVFFYXCHDDAH-XJKSGUPXSA-N 1 0 335.473 3.340 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000174012610 455350764 /nfs/dbraw/zinc/35/07/64/455350764.db2.gz HCXMBSIGOJIZAQ-CHWSQXEVSA-N 1 0 335.404 3.052 10 5 EGBERO [NH2+]=C(SCc1cc([N+](=O)[O-])cc2c1OCOC2)N1CCCCC1 ZINC000011251348 453314900 /nfs/dbraw/zinc/31/49/00/453314900.db2.gz HRQCEHGJUKOMMU-UHFFFAOYSA-N 1 0 337.401 3.115 10 5 EGBERO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000012741101 453397079 /nfs/dbraw/zinc/39/70/79/453397079.db2.gz KRJBQAWLCVMEBI-AWEZNQCLSA-N 1 0 336.436 3.473 10 5 EGBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000087258076 454073639 /nfs/dbraw/zinc/07/36/39/454073639.db2.gz GYCCRZXMCNRUTI-GOSISDBHSA-N 1 0 345.443 3.004 10 5 EGBERO CCOC(=O)[C@@H]1CCC[C@@H]1[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095457019 454214856 /nfs/dbraw/zinc/21/48/56/454214856.db2.gz QFRVEVKHKCAMSG-SJORKVTESA-N 1 0 332.400 3.291 10 5 EGBERO CC[C@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068734 454271056 /nfs/dbraw/zinc/27/10/56/454271056.db2.gz YOTAHBTUFVPDSV-WBMJQRKESA-N 1 0 347.440 3.402 10 5 EGBERO O=C(Nc1c[nH+]ccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000072281682 454282598 /nfs/dbraw/zinc/28/25/98/454282598.db2.gz XKTLATJUVLLBOB-UHFFFAOYSA-N 1 0 326.356 3.232 10 5 EGBERO Cc1cc(C)n(CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000090474288 454310747 /nfs/dbraw/zinc/31/07/47/454310747.db2.gz LLMJRWDXKYSJMF-UHFFFAOYSA-N 1 0 328.416 3.320 10 5 EGBERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090550560 454320017 /nfs/dbraw/zinc/32/00/17/454320017.db2.gz BFAWUPRBHHLKOR-INIZCTEOSA-N 1 0 345.399 3.139 10 5 EGBERO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCCCC3)c2)c(F)c1 ZINC000092978346 454664604 /nfs/dbraw/zinc/66/46/04/454664604.db2.gz HCTNEDOULFJTFH-UHFFFAOYSA-N 1 0 333.367 3.160 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153626516 454814320 /nfs/dbraw/zinc/81/43/20/454814320.db2.gz XJQCEHYOCDZTDA-YOEHRIQHSA-N 1 0 344.411 3.248 10 5 EGBERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109146876 454822900 /nfs/dbraw/zinc/82/29/00/454822900.db2.gz MBCJOSXXCCUFGD-KSSFIOAISA-N 1 0 339.395 3.359 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000155089668 454962462 /nfs/dbraw/zinc/96/24/62/454962462.db2.gz FGFGVUZVEGNPNW-UHFFFAOYSA-N 1 0 327.384 3.112 10 5 EGBERO C[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCCC1 ZINC000155968625 455067956 /nfs/dbraw/zinc/06/79/56/455067956.db2.gz XGEDKZYWGRTGRA-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000180158903 455141740 /nfs/dbraw/zinc/14/17/40/455141740.db2.gz SAZHFAFTOFTTFD-FUHWJXTLSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180501257 455184141 /nfs/dbraw/zinc/18/41/41/455184141.db2.gz IEEBMAJGEHJLLB-DZGCQCFKSA-N 1 0 343.431 3.284 10 5 EGBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182902365 455187510 /nfs/dbraw/zinc/18/75/10/455187510.db2.gz VOEDNQRETSMVRC-VMEIHUARSA-N 1 0 345.443 3.188 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181525842 455348564 /nfs/dbraw/zinc/34/85/64/455348564.db2.gz QASZLARMMQTTDN-WBVHZDCISA-N 1 0 348.374 3.215 10 5 EGBERO CC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])OCCCO1 ZINC000190649866 455359584 /nfs/dbraw/zinc/35/95/84/455359584.db2.gz SBYQNYWYQSYVBD-HOCLYGCPSA-N 1 0 334.416 3.049 10 5 EGBERO C[C@H](C[S@@](C)=O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000184287567 455368821 /nfs/dbraw/zinc/36/88/21/455368821.db2.gz IOVZOVHTCXOLFG-GJKYVBSNSA-N 1 0 332.425 3.041 10 5 EGBERO COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000246262574 455459574 /nfs/dbraw/zinc/45/95/74/455459574.db2.gz LKGAFWOWEFUCII-RBUKOAKNSA-N 1 0 342.395 3.474 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342199 455492611 /nfs/dbraw/zinc/49/26/11/455492611.db2.gz YYUKVHDOFTVJER-MLGOLLRUSA-N 1 0 325.840 3.410 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247981966 455665319 /nfs/dbraw/zinc/66/53/19/455665319.db2.gz HQLVUCFTARCWEL-ROUUACIJSA-N 1 0 339.395 3.078 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285790970 455917042 /nfs/dbraw/zinc/91/70/42/455917042.db2.gz XUUWFIKHPOLVFY-ZBEGNZNMSA-N 1 0 327.375 3.035 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187806445 455955602 /nfs/dbraw/zinc/95/56/02/455955602.db2.gz ZOZQMTOYSCQSGK-HZPDHXFCSA-N 1 0 345.443 3.417 10 5 EGBERO CCc1cc(N[C@@H](C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301357641 456097845 /nfs/dbraw/zinc/09/78/45/456097845.db2.gz NQUXBUMUCLULLW-RYUDHWBXSA-N 1 0 330.388 3.043 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280985907 456100974 /nfs/dbraw/zinc/10/09/74/456100974.db2.gz LLJAZCOPFUPPRX-KSSFIOAISA-N 1 0 327.384 3.342 10 5 EGBERO C[C@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000301532348 456139528 /nfs/dbraw/zinc/13/95/28/456139528.db2.gz HZXPCYRXBYXKIU-HOTGVXAUSA-N 1 0 347.459 3.311 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000301782392 456213966 /nfs/dbraw/zinc/21/39/66/456213966.db2.gz SXFIGSIZPFWBGD-GFCCVEGCSA-N 1 0 325.384 3.275 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000297532223 456244175 /nfs/dbraw/zinc/24/41/75/456244175.db2.gz IHQMVGOQPZLXKF-GRDNDAEWSA-N 1 0 348.447 3.028 10 5 EGBERO COc1cc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352778022 456298761 /nfs/dbraw/zinc/29/87/61/456298761.db2.gz IUCUMNVJARTELZ-SCLBCKFNSA-N 1 0 336.432 3.270 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340535267 456517123 /nfs/dbraw/zinc/51/71/23/456517123.db2.gz SSYCUOLSIJYHNI-XDNAFOTISA-N 1 0 344.415 3.251 10 5 EGBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000283434072 456780313 /nfs/dbraw/zinc/78/03/13/456780313.db2.gz BTGZWMDDTXCGBH-ZBFHGGJFSA-N 1 0 331.416 3.249 10 5 EGBERO C[NH+]1CCC([C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000292011732 456829817 /nfs/dbraw/zinc/82/98/17/456829817.db2.gz SCYIWNMCBBLRBK-HNNXBMFYSA-N 1 0 340.427 3.311 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(OC)n2)cc1[N+](=O)[O-] ZINC000349203701 456912259 /nfs/dbraw/zinc/91/22/59/456912259.db2.gz UDRGHMSZJDIYDF-CYBMUJFWSA-N 1 0 345.399 3.290 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000359100739 457055089 /nfs/dbraw/zinc/05/50/89/457055089.db2.gz XYNYYUAHVDUGSV-UHFFFAOYSA-N 1 0 346.406 3.314 10 5 EGBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@@H]2C1 ZINC000425287434 457483713 /nfs/dbraw/zinc/48/37/13/457483713.db2.gz RNUBCDFHMQPKLQ-XJKSGUPXSA-N 1 0 333.432 3.303 10 5 EGBERO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342734195 457486071 /nfs/dbraw/zinc/48/60/71/457486071.db2.gz HUFLKDSOWHMMCK-HUUCEWRRSA-N 1 0 349.431 3.060 10 5 EGBERO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342734173 457486363 /nfs/dbraw/zinc/48/63/63/457486363.db2.gz HUFLKDSOWHMMCK-CABCVRRESA-N 1 0 349.431 3.060 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364432967 457602593 /nfs/dbraw/zinc/60/25/93/457602593.db2.gz DUOKAMFFTIQTEP-ORAYPTAESA-N 1 0 337.379 3.252 10 5 EGBERO COCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000426502535 457844005 /nfs/dbraw/zinc/84/40/05/457844005.db2.gz CFTJTYBRMGTZCC-MRXNPFEDSA-N 1 0 346.383 3.092 10 5 EGBERO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000358285940 457910730 /nfs/dbraw/zinc/91/07/30/457910730.db2.gz KADMXZMLHUXABH-BBRMVZONSA-N 1 0 328.368 3.476 10 5 EGBERO O=C(CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444703925 457947876 /nfs/dbraw/zinc/94/78/76/457947876.db2.gz SSHAJKWHOWZGGE-NSHDSACASA-N 1 0 345.321 3.198 10 5 EGBERO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367572377 457964640 /nfs/dbraw/zinc/96/46/40/457964640.db2.gz DPIYWFKHDPQRKJ-YJBOKZPZSA-N 1 0 341.411 3.230 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)C(C)C ZINC000445258838 458033163 /nfs/dbraw/zinc/03/31/63/458033163.db2.gz HGSMUDBAMWINDN-UHFFFAOYSA-N 1 0 327.812 3.017 10 5 EGBERO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000434958543 458070803 /nfs/dbraw/zinc/07/08/03/458070803.db2.gz NQHWMCSWSHKEQW-HNNXBMFYSA-N 1 0 346.818 3.354 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453197 458145399 /nfs/dbraw/zinc/14/53/99/458145399.db2.gz ARKOQBOKNGMMCK-SJCJKPOMSA-N 1 0 346.383 3.066 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362447540 458183075 /nfs/dbraw/zinc/18/30/75/458183075.db2.gz LIGHGPZDBVGPOQ-PBHICJAKSA-N 1 0 334.416 3.383 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COc3ccccc3O1)CCC2 ZINC000447514516 458303713 /nfs/dbraw/zinc/30/37/13/458303713.db2.gz FUBWUWOJKZYYEJ-RDJZCZTQSA-N 1 0 340.379 3.402 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000373779863 458600817 /nfs/dbraw/zinc/60/08/17/458600817.db2.gz ZOQARHLZGIFMJI-APWZRJJASA-N 1 0 342.395 3.471 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000462814193 458657513 /nfs/dbraw/zinc/65/75/13/458657513.db2.gz CYKOHVSLRWGEEQ-ZDUSSCGKSA-N 1 0 328.416 3.366 10 5 EGBERO COC(=O)c1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000474782786 458900951 /nfs/dbraw/zinc/90/09/51/458900951.db2.gz ZSHDFHRHKCEUCR-AWEZNQCLSA-N 1 0 349.431 3.000 10 5 EGBERO COC(=O)c1cc(N[C@H](C)C(C)(C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000474785935 458901257 /nfs/dbraw/zinc/90/12/57/458901257.db2.gz WOAKNRICLCNVHX-GFCCVEGCSA-N 1 0 337.420 3.078 10 5 EGBERO C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519576414 458966297 /nfs/dbraw/zinc/96/62/97/458966297.db2.gz HUDJKVGAEULSGP-HNNXBMFYSA-N 1 0 345.443 3.033 10 5 EGBERO COc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000467718794 458984937 /nfs/dbraw/zinc/98/49/37/458984937.db2.gz TVHUEYBGDSLWTI-AWEZNQCLSA-N 1 0 347.390 3.327 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509513 459068319 /nfs/dbraw/zinc/06/83/19/459068319.db2.gz JETAPMAIRMJMBD-OIPACUDHSA-N 1 0 335.448 3.133 10 5 EGBERO O=C(CC[NH2+][C@@H]1C[C@@H]1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000567605780 459132065 /nfs/dbraw/zinc/13/20/65/459132065.db2.gz FBQNVXSDYZNWEO-GDBMZVCRSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000594738765 459147992 /nfs/dbraw/zinc/14/79/92/459147992.db2.gz MWURSPSMGNQWSM-NFTRUMFPSA-N 1 0 337.423 3.343 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000595006335 459213298 /nfs/dbraw/zinc/21/32/98/459213298.db2.gz IYYBCSKFEXCDCQ-GXTWGEPZSA-N 1 0 344.367 3.094 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1SC ZINC000595043251 459226982 /nfs/dbraw/zinc/22/69/82/459226982.db2.gz HIWGXGQJGSKIIR-YWSWHFDRSA-N 1 0 340.445 3.163 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)c1ccccn1 ZINC000595049729 459227595 /nfs/dbraw/zinc/22/75/95/459227595.db2.gz NZCXYSWXAQDLKB-ZIAGYGMSSA-N 1 0 342.399 3.100 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595087895 459240684 /nfs/dbraw/zinc/24/06/84/459240684.db2.gz TVHJJWXXMHMVPY-OWQGQXMQSA-N 1 0 328.416 3.390 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000595110213 459248225 /nfs/dbraw/zinc/24/82/25/459248225.db2.gz YSPGRMJIUUGJMC-LZWOXQAQSA-N 1 0 328.416 3.390 10 5 EGBERO CO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000595329876 459277479 /nfs/dbraw/zinc/27/74/79/459277479.db2.gz CXEFGNFEEOEKCR-SFHVURJKSA-N 1 0 334.416 3.253 10 5 EGBERO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482008402 459286405 /nfs/dbraw/zinc/28/64/05/459286405.db2.gz MFRYBHVUSNVVJX-WBVHZDCISA-N 1 0 340.427 3.355 10 5 EGBERO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000595503266 459327401 /nfs/dbraw/zinc/32/74/01/459327401.db2.gz ZKGAOWPNMJNNDN-OAHLLOKOSA-N 1 0 327.384 3.378 10 5 EGBERO [NH3+]CCc1c2cc([N+](=O)[O-])ccc2[nH]c1C(F)(F)Br ZINC000536957183 459363176 /nfs/dbraw/zinc/36/31/76/459363176.db2.gz CMZSNYQESAKNKR-UHFFFAOYSA-N 1 0 334.120 3.022 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](CCC1CC1)CC1CC1 ZINC000595871845 459468639 /nfs/dbraw/zinc/46/86/39/459468639.db2.gz RUKHETMFAFZTIR-CYBMUJFWSA-N 1 0 331.416 3.434 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892024 459470504 /nfs/dbraw/zinc/47/05/04/459470504.db2.gz OXFPLKUNZMDCSE-WBVHZDCISA-N 1 0 345.443 3.322 10 5 EGBERO COc1cncc(/C=C/CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000592085010 459521832 /nfs/dbraw/zinc/52/18/32/459521832.db2.gz AEKGTHVDKAMHBL-GORDUTHDSA-N 1 0 339.395 3.460 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CC=CCC1 ZINC000542245970 459539265 /nfs/dbraw/zinc/53/92/65/459539265.db2.gz XMNOOMOUTSGDLJ-GFCCVEGCSA-N 1 0 337.807 3.475 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596169454 459546028 /nfs/dbraw/zinc/54/60/28/459546028.db2.gz XJKRPWQENMQIBF-ZDUSSCGKSA-N 1 0 336.436 3.075 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(F)CC1 ZINC000592399599 459593340 /nfs/dbraw/zinc/59/33/40/459593340.db2.gz NTSFPSCKERIUDJ-HSBZDZAISA-N 1 0 337.395 3.430 10 5 EGBERO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697063 459625056 /nfs/dbraw/zinc/62/50/56/459625056.db2.gz XBXSURACEQRKPN-AUUYWEPGSA-N 1 0 326.396 3.118 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000543631305 459677818 /nfs/dbraw/zinc/67/78/18/459677818.db2.gz GFBNVEFBXHVDCR-UHFFFAOYSA-N 1 0 328.368 3.306 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055484 459758320 /nfs/dbraw/zinc/75/83/20/459758320.db2.gz WLLFBJZLPWRWMP-UHFFFAOYSA-N 1 0 348.296 3.340 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597213827 459880465 /nfs/dbraw/zinc/88/04/65/459880465.db2.gz IANHHWFHVBKQMB-KBXCAEBGSA-N 1 0 344.455 3.447 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000598466206 459904991 /nfs/dbraw/zinc/90/49/91/459904991.db2.gz NRHAFNZVKUBSHF-UHFFFAOYSA-N 1 0 339.461 3.167 10 5 EGBERO COc1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000609287631 459934235 /nfs/dbraw/zinc/93/42/35/459934235.db2.gz GNTPIUADNJSAPU-UHFFFAOYSA-N 1 0 341.411 3.146 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593716176 459960221 /nfs/dbraw/zinc/96/02/21/459960221.db2.gz QMCPSOANNFLMIG-YWZLYKJASA-N 1 0 340.423 3.430 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594041973 460069624 /nfs/dbraw/zinc/06/96/24/460069624.db2.gz LDKHRADPCRERQU-RHSMWYFYSA-N 1 0 349.431 3.169 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000589349846 460076771 /nfs/dbraw/zinc/07/67/71/460076771.db2.gz TZFGAOIOCNCGIP-QWHCGFSZSA-N 1 0 346.456 3.336 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597858145 460081929 /nfs/dbraw/zinc/08/19/29/460081929.db2.gz KJKYJOQMVQHUKX-LBPRGKRZSA-N 1 0 339.823 3.159 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000589510945 460096953 /nfs/dbraw/zinc/09/69/53/460096953.db2.gz XRWZKRAIYVSZTD-ACJLOTCBSA-N 1 0 332.400 3.394 10 5 EGBERO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1OC1CC1 ZINC000598960900 460104368 /nfs/dbraw/zinc/10/43/68/460104368.db2.gz HESDXIMLUFITSA-UHFFFAOYSA-N 1 0 342.395 3.477 10 5 EGBERO CC[NH+](CC)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599052512 460141181 /nfs/dbraw/zinc/14/11/81/460141181.db2.gz OFLJJWPVGVUIQJ-AWEZNQCLSA-N 1 0 328.416 3.311 10 5 EGBERO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599056079 460143195 /nfs/dbraw/zinc/14/31/95/460143195.db2.gz JELMEOMCMHZNMP-GXFFZTMASA-N 1 0 328.294 3.246 10 5 EGBERO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042718 460152932 /nfs/dbraw/zinc/15/29/32/460152932.db2.gz XCWIDUDZIHNTQF-OAHLLOKOSA-N 1 0 333.432 3.275 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000599078856 460153350 /nfs/dbraw/zinc/15/33/50/460153350.db2.gz GNFPMXSOQWCTAC-GFCCVEGCSA-N 1 0 341.367 3.199 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000599081438 460155504 /nfs/dbraw/zinc/15/55/04/460155504.db2.gz LAQGJDHAUBLQLF-CQSZACIVSA-N 1 0 333.432 3.202 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000599141253 460174106 /nfs/dbraw/zinc/17/41/06/460174106.db2.gz ZVRAAGRBYTZFHM-KRWDZBQOSA-N 1 0 327.384 3.290 10 5 EGBERO CCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000594390093 460203750 /nfs/dbraw/zinc/20/37/50/460203750.db2.gz SDEKFJPXIMFTIS-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599694253 460313618 /nfs/dbraw/zinc/31/36/18/460313618.db2.gz GGPDLEWQIGFQSL-OAHLLOKOSA-N 1 0 332.404 3.042 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000611615606 460413682 /nfs/dbraw/zinc/41/36/82/460413682.db2.gz JXDQKUBKXIISBZ-UHFFFAOYSA-N 1 0 340.427 3.319 10 5 EGBERO CC1([NH+]2CCCC2)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000601216292 460753892 /nfs/dbraw/zinc/75/38/92/460753892.db2.gz OQGOPLRHDXRJEK-UHFFFAOYSA-N 1 0 330.432 3.018 10 5 EGBERO COc1cc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000601215698 460754013 /nfs/dbraw/zinc/75/40/13/460754013.db2.gz BZVGWVFIARSKDI-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000601229747 460758627 /nfs/dbraw/zinc/75/86/27/460758627.db2.gz ZOLXXZBOAZCZDH-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CC1(C)CCC[N@@H+]1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601619977 460848234 /nfs/dbraw/zinc/84/82/34/460848234.db2.gz GRLZCKFQGHYCBQ-UHFFFAOYSA-N 1 0 345.443 3.007 10 5 EGBERO CCc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601737152 460886152 /nfs/dbraw/zinc/88/61/52/460886152.db2.gz FJBDRHAUTHTBKP-UHFFFAOYSA-N 1 0 345.443 3.248 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000191385239 534056050 /nfs/dbraw/zinc/05/60/50/534056050.db2.gz XOVRWVRLHLOMQB-UHFFFAOYSA-N 1 0 348.447 3.454 10 5 EGBERO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035057 1296683703 /nfs/dbraw/zinc/68/37/03/1296683703.db2.gz KIWQLEBQLREOAT-MEDUHNTESA-N 1 0 334.347 3.127 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041685 1296692382 /nfs/dbraw/zinc/69/23/82/1296692382.db2.gz JZQWXKXOXFHDIR-NWDGAFQWSA-N 1 0 348.353 3.198 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872051683 1296702928 /nfs/dbraw/zinc/70/29/28/1296702928.db2.gz KFAFRNXWEODGSK-SGTLLEGYSA-N 1 0 330.359 3.219 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000872073403 1296717498 /nfs/dbraw/zinc/71/74/98/1296717498.db2.gz QLVIDENSEMBNIK-WDEREUQCSA-N 1 0 332.429 3.248 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072030 1296717674 /nfs/dbraw/zinc/71/76/74/1296717674.db2.gz CDQQOUYCVOLREL-SMDDNHRTSA-N 1 0 336.338 3.127 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072028 1296718060 /nfs/dbraw/zinc/71/80/60/1296718060.db2.gz CDQQOUYCVOLREL-FZMZJTMJSA-N 1 0 336.338 3.127 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000872073400 1296718368 /nfs/dbraw/zinc/71/83/68/1296718368.db2.gz QLVIDENSEMBNIK-GHMZBOCLSA-N 1 0 332.429 3.248 10 5 EGBERO CC(C)OC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000872118010 1296744430 /nfs/dbraw/zinc/74/44/30/1296744430.db2.gz YUMOXSKOLKWAJU-CQSZACIVSA-N 1 0 349.431 3.249 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872292662 1296901311 /nfs/dbraw/zinc/90/13/11/1296901311.db2.gz LOEUGICANWXJQP-UHFFFAOYSA-N 1 0 333.432 3.106 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1 ZINC000886232062 1303406101 /nfs/dbraw/zinc/40/61/01/1303406101.db2.gz PBFUNMIPGOEPGX-AWEZNQCLSA-N 1 0 338.766 3.081 10 5 EGBERO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886302763 1303428836 /nfs/dbraw/zinc/42/88/36/1303428836.db2.gz VZOORISLPATIPR-INIZCTEOSA-N 1 0 334.416 3.050 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CC4CC4)CC3)CC2)cn1 ZINC000895531595 1309386093 /nfs/dbraw/zinc/38/60/93/1309386093.db2.gz NTYNQMFUSMJLCV-UHFFFAOYSA-N 1 0 330.432 3.129 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000895801243 1309526860 /nfs/dbraw/zinc/52/68/60/1309526860.db2.gz ZFRFTPRXPGERMO-SFHVURJKSA-N 1 0 348.443 3.093 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896237233 1309761973 /nfs/dbraw/zinc/76/19/73/1309761973.db2.gz LDFSFPRELFYJGQ-JQVXPOPVSA-N 1 0 328.372 3.179 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000930236504 1328817993 /nfs/dbraw/zinc/81/79/93/1328817993.db2.gz XIFJZKORMUPXDC-ZSZQSSIHSA-N 1 0 344.411 3.120 10 5 EGBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000917069162 1319747011 /nfs/dbraw/zinc/74/70/11/1319747011.db2.gz OHMUJZBOMAPQDB-KGXGESDWSA-N 1 0 347.415 3.067 10 5 EGBERO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000859319414 1328967964 /nfs/dbraw/zinc/96/79/64/1328967964.db2.gz OQDABGVGODIWOF-NSHDSACASA-N 1 0 347.337 3.046 10 5 EGBERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556228 1329016061 /nfs/dbraw/zinc/01/60/61/1329016061.db2.gz IMMFOSBXQNLDNC-ACJLOTCBSA-N 1 0 341.411 3.160 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000922612930 1322571089 /nfs/dbraw/zinc/57/10/89/1322571089.db2.gz SGWWHKSKTUFBIH-IDGGIGOKSA-N 1 0 334.416 3.172 10 5 EGBERO CCOc1ccc([C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000925839435 1325323479 /nfs/dbraw/zinc/32/34/79/1325323479.db2.gz BSZZSAYRANZEPY-MORSLUCNSA-N 1 0 333.432 3.176 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1C ZINC000860501132 1329324899 /nfs/dbraw/zinc/32/48/99/1329324899.db2.gz MWDKCVAYDRFDOS-UONOGXRCSA-N 1 0 341.411 3.303 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927012478 1327820718 /nfs/dbraw/zinc/82/07/18/1327820718.db2.gz HUNGFDBCUHXWQT-NVXWUHKLSA-N 1 0 348.443 3.234 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCC3(CCC3)O2)n1 ZINC000927130998 1327883459 /nfs/dbraw/zinc/88/34/59/1327883459.db2.gz TZJOTPCWKAEUJR-OWCLPIDISA-N 1 0 348.447 3.356 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482996 1329490375 /nfs/dbraw/zinc/49/03/75/1329490375.db2.gz NFGNTQDAMAPOEA-LJQANCHMSA-N 1 0 326.396 3.387 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000863583017 1329564455 /nfs/dbraw/zinc/56/44/55/1329564455.db2.gz ZXNDXNNWKDFBPZ-NRSFXHEJSA-N 1 0 344.798 3.210 10 5 EGBERO Cc1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000865647794 1329724841 /nfs/dbraw/zinc/72/48/41/1329724841.db2.gz KAFOGYLLEMNMAK-UHFFFAOYSA-N 1 0 347.459 3.420 10 5 EGBERO COc1cc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])cc1F ZINC000866055550 1330060330 /nfs/dbraw/zinc/06/03/30/1330060330.db2.gz YDTGGHYFDDRCTB-UHFFFAOYSA-N 1 0 337.395 3.055 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC[C@@H]21 ZINC000866207746 1330078754 /nfs/dbraw/zinc/07/87/54/1330078754.db2.gz JOMNWQWQJPQFRH-ZFWWWQNUSA-N 1 0 333.432 3.303 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1C(F)F ZINC000866566450 1330127731 /nfs/dbraw/zinc/12/77/31/1330127731.db2.gz IAMBDJXUXMBXCF-LLVKDONJSA-N 1 0 338.358 3.377 10 5 EGBERO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000867989214 1330237454 /nfs/dbraw/zinc/23/74/54/1330237454.db2.gz FBNGNSRDCPHQKH-GOSISDBHSA-N 1 0 339.395 3.353 10 5 EGBERO Cc1cc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)ccc1[N+](=O)[O-] ZINC000867992110 1330238292 /nfs/dbraw/zinc/23/82/92/1330238292.db2.gz WISBUDMEAOWZJI-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000868159713 1330256685 /nfs/dbraw/zinc/25/66/85/1330256685.db2.gz UGZMHCDZCXJWDD-SNVBAGLBSA-N 1 0 340.811 3.148 10 5 EGBERO C[NH+](C)[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])c1ccco1 ZINC001184515628 1387481158 /nfs/dbraw/zinc/48/11/58/1387481158.db2.gz ALHXYVKTQAQNLK-OAHLLOKOSA-N 1 0 326.356 3.451 10 5 EGBERO CCN(CC)C(=O)OC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC001194115480 1368185684 /nfs/dbraw/zinc/18/56/84/1368185684.db2.gz BWCPDAMQTGDJGV-MRXNPFEDSA-N 1 0 349.431 3.428 10 5 EGBERO CC[N@H+]1[C@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC001195668875 1368468214 /nfs/dbraw/zinc/46/82/14/1368468214.db2.gz BWIPJNOIBZNOSF-OKILXGFUSA-N 1 0 344.415 3.164 10 5 EGBERO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC001196594051 1368644934 /nfs/dbraw/zinc/64/49/34/1368644934.db2.gz HHEQFRJNDQGSIG-GOSISDBHSA-N 1 0 328.416 3.197 10 5 EGBERO C[C@@](CO)([NH2+]CCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001196907331 1368712035 /nfs/dbraw/zinc/71/20/35/1368712035.db2.gz LHBBXKJDZNNSSG-KRWDZBQOSA-N 1 0 334.803 3.288 10 5 EGBERO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001132619079 1375486663 /nfs/dbraw/zinc/48/66/63/1375486663.db2.gz LOHIGLCKNFZAHF-QGZVFWFLSA-N 1 0 345.443 3.430 10 5 EGBERO CC[N@H+](CCNC(=O)c1ccc(C)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266372010 1377297400 /nfs/dbraw/zinc/29/74/00/1377297400.db2.gz NYWNRKWUKHDRKL-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001327568487 1388561207 /nfs/dbraw/zinc/56/12/07/1388561207.db2.gz BUEKPIIOTIJKBB-AVWWHXKWSA-N 1 0 347.415 3.066 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC001164380711 1383182862 /nfs/dbraw/zinc/18/28/62/1383182862.db2.gz ZOXYEYYCSJCZPE-GAFUQQFSSA-N 1 0 329.322 3.366 10 5 EGBERO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001167765544 1383736151 /nfs/dbraw/zinc/73/61/51/1383736151.db2.gz FRWMVKGSQAOAEB-IAGOWNOFSA-N 1 0 336.432 3.499 10 5 EGBERO C[N@@H+]1C[C@@]23CN(Cc4ccc([N+](=O)[O-])cc4F)C[C@]2(C1)CCCC3 ZINC001308170784 1384105178 /nfs/dbraw/zinc/10/51/78/1384105178.db2.gz NKKFIOKOERVHFE-HDICACEKSA-N 1 0 333.407 3.042 10 5 EGBERO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC001170117292 1384238753 /nfs/dbraw/zinc/23/87/53/1384238753.db2.gz JYHWGAHHANYCQM-RBUKOAKNSA-N 1 0 328.412 3.485 10 5 EGBERO CC[N@H+](CCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317473888 1385169624 /nfs/dbraw/zinc/16/96/24/1385169624.db2.gz CDXDBELUKQDMQW-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CCC[N@H+](CCNC(=O)c1ccoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317540216 1385276884 /nfs/dbraw/zinc/27/68/84/1385276884.db2.gz JLXBPRDMAPMQNX-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001176515451 1385612614 /nfs/dbraw/zinc/61/26/14/1385612614.db2.gz IRUAZBOBNSXBPC-OAHLLOKOSA-N 1 0 335.404 3.036 10 5 EGBERO COc1cc(CN2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])cc1F ZINC001177007650 1385771270 /nfs/dbraw/zinc/77/12/70/1385771270.db2.gz BYLHHFHNTXRWFV-KRWDZBQOSA-N 1 0 338.379 3.278 10 5 EGBERO CCCCC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001318617256 1385798582 /nfs/dbraw/zinc/79/85/82/1385798582.db2.gz PLZSKALZPPEEFP-UHFFFAOYSA-N 1 0 339.461 3.365 10 5 EGBERO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400825 1386104328 /nfs/dbraw/zinc/10/43/28/1386104328.db2.gz UYLRGHFJYUUFKK-IFXJQAMLSA-N 1 0 344.411 3.200 10 5 EGBERO O=C(CC1CC1)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001698688659 1406334666 /nfs/dbraw/zinc/33/46/66/1406334666.db2.gz RRGPJVRVUVGDJM-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO Cc1c(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001339444317 1390031311 /nfs/dbraw/zinc/03/13/11/1390031311.db2.gz VAEJEJRPELXVKA-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1C ZINC001332242832 1390062571 /nfs/dbraw/zinc/06/25/71/1390062571.db2.gz WEKQRDJKQHLYMS-MRXNPFEDSA-N 1 0 345.443 3.348 10 5 EGBERO Cc1cc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001347890127 1391141854 /nfs/dbraw/zinc/14/18/54/1391141854.db2.gz MNZVJELKXOYVAE-OFQRWUPVSA-N 1 0 346.431 3.097 10 5 EGBERO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001347890122 1391141934 /nfs/dbraw/zinc/14/19/34/1391141934.db2.gz MNZVJELKXOYVAE-DZKIICNBSA-N 1 0 346.431 3.097 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccsc1 ZINC001484731486 1395493355 /nfs/dbraw/zinc/49/33/55/1395493355.db2.gz BDSOSUWHJKIBMM-UHFFFAOYSA-N 1 0 347.440 3.250 10 5 EGBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC1 ZINC001486361473 1396192666 /nfs/dbraw/zinc/19/26/66/1396192666.db2.gz XXUNDRLWMXGSES-UHFFFAOYSA-N 1 0 333.432 3.064 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccoc1 ZINC001495129519 1396520371 /nfs/dbraw/zinc/52/03/71/1396520371.db2.gz BPGYCRWQWPMRMO-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO CC(C)CC1(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001731931053 1428173835 /nfs/dbraw/zinc/17/38/35/1428173835.db2.gz AJCHUISSWDPBDW-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCC(=O)NCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC001701065860 1414723238 /nfs/dbraw/zinc/72/32/38/1414723238.db2.gz ZJOQFWWGEFUHGH-UHFFFAOYSA-N 1 0 345.374 3.050 10 5 EGBERO O=C(CCC1CC1)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715091213 1419831730 /nfs/dbraw/zinc/83/17/30/1419831730.db2.gz PNNRRMLJFFTEBV-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001715778150 1420340577 /nfs/dbraw/zinc/34/05/77/1420340577.db2.gz FKFBZBIQIOQUOB-UHFFFAOYSA-N 1 0 345.443 3.376 10 5 EGBERO CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001716327249 1420605827 /nfs/dbraw/zinc/60/58/27/1420605827.db2.gz WIOQAJUGBWPXIV-ARJAWSKDSA-N 1 0 345.443 3.183 10 5 EGBERO CC1(NC(=O)CC2CCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723996951 1424620505 /nfs/dbraw/zinc/62/05/05/1424620505.db2.gz CWVURODVSSSVRW-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO C/C(=C\C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001724842317 1425191893 /nfs/dbraw/zinc/19/18/93/1425191893.db2.gz BBDJKEKQKYWAFY-FYWRMAATSA-N 1 0 345.443 3.231 10 5 EGBERO Cc1ccoc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001724844028 1425194477 /nfs/dbraw/zinc/19/44/77/1425194477.db2.gz HZGYHSLOBIUGNQ-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001725139837 1425617323 /nfs/dbraw/zinc/61/73/23/1425617323.db2.gz FFQJPCKAISXIHC-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1(F)CCCC1 ZINC001733719670 1429940232 /nfs/dbraw/zinc/94/02/32/1429940232.db2.gz WYWNEQQHBKFAAM-UHFFFAOYSA-N 1 0 349.406 3.006 10 5 EGBERO C[C@@]1(C[N+](C)(C)C)COC(c2ccccc2)(c2ccccc2)CO1 ZINC000199486835 717158955 /nfs/dbraw/zinc/15/89/55/717158955.db2.gz ZEKOHXPWXZDUAC-HXUWFJFHSA-N 1 0 326.460 3.442 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245979667 243178361 /nfs/dbraw/zinc/17/83/61/243178361.db2.gz GTXUGHGGJUOIKE-SWLSCSKDSA-N 1 0 334.420 3.097 10 5 EGBERO COc1ccc([C@@H](O)C[NH2+][C@H](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077311799 203379447 /nfs/dbraw/zinc/37/94/47/203379447.db2.gz DVUFPRMEKXKECP-KUHUBIRLSA-N 1 0 344.411 3.248 10 5 in-vitro EGBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCSCC1 ZINC000089985023 203608170 /nfs/dbraw/zinc/60/81/70/203608170.db2.gz XVYQLDVQNZRRNX-LLVKDONJSA-N 1 0 334.401 3.145 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCO2)ccc1Br ZINC000042816298 204147561 /nfs/dbraw/zinc/14/75/61/204147561.db2.gz ADVUCHDWXJLHMC-NSHDSACASA-N 1 0 329.194 3.016 10 5 EGBERO Cc1noc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000105469512 204147212 /nfs/dbraw/zinc/14/72/12/204147212.db2.gz PDDVYDUEJYNDLK-UHFFFAOYSA-N 1 0 344.396 3.347 10 5 EGBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000045654596 204332287 /nfs/dbraw/zinc/33/22/87/204332287.db2.gz WIWAFRASYVFPNW-LLVKDONJSA-N 1 0 328.210 3.252 10 5 EGBERO Cc1sc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000132447835 205325364 /nfs/dbraw/zinc/32/53/64/205325364.db2.gz LFDYMURJKOHELJ-UHFFFAOYSA-N 1 0 339.461 3.159 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000160456270 206299511 /nfs/dbraw/zinc/29/95/11/206299511.db2.gz BRTVGIZUDQOSQC-CYBMUJFWSA-N 1 0 339.823 3.098 10 5 EGBERO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000266145849 248129868 /nfs/dbraw/zinc/12/98/68/248129868.db2.gz IRFCXLVMUNOJSQ-INIZCTEOSA-N 1 0 338.791 3.455 10 5 EGBERO CC[NH+](CC)CCSCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000083092900 284655492 /nfs/dbraw/zinc/65/54/92/284655492.db2.gz BJJZLYUCPNHYTR-UHFFFAOYSA-N 1 0 326.418 3.036 10 5 EGBERO Cn1cccc1[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175130013 207095622 /nfs/dbraw/zinc/09/56/22/207095622.db2.gz DAOZJTUFQTWCJI-QGZVFWFLSA-N 1 0 342.399 3.099 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000175895889 207171120 /nfs/dbraw/zinc/17/11/20/207171120.db2.gz GWDNUYXZSFHKHA-BXUZGUMPSA-N 1 0 339.823 3.051 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176989944 207280297 /nfs/dbraw/zinc/28/02/97/207280297.db2.gz FCTREVUUHBKUNO-CQSZACIVSA-N 1 0 347.440 3.366 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(C(F)(F)F)CC2)n1 ZINC000353947797 285168543 /nfs/dbraw/zinc/16/85/43/285168543.db2.gz PFSWCBPGWIMORR-WDEREUQCSA-N 1 0 332.326 3.207 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000270632846 141060718 /nfs/dbraw/zinc/06/07/18/141060718.db2.gz HXMFWQXPZAQBLL-QZTJIDSGSA-N 1 0 347.365 3.408 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000175148554 144058952 /nfs/dbraw/zinc/05/89/52/144058952.db2.gz ZIDBOVLZKXTARM-UHFFFAOYSA-N 1 0 330.388 3.096 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187816525 144165217 /nfs/dbraw/zinc/16/52/17/144165217.db2.gz MLTVBBMABHNNFF-OAHLLOKOSA-N 1 0 333.432 3.275 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351770533 144304594 /nfs/dbraw/zinc/30/45/94/144304594.db2.gz HHNCVIKTQCACFA-RYUDHWBXSA-N 1 0 338.383 3.118 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+](C(C)C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000119573819 152214811 /nfs/dbraw/zinc/21/48/11/152214811.db2.gz MHACTUIAELBNKD-UHFFFAOYSA-N 1 0 349.431 3.121 10 5 EGBERO CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000119878601 152234382 /nfs/dbraw/zinc/23/43/82/152234382.db2.gz XUNKXXPGDAUUGR-CYBMUJFWSA-N 1 0 335.385 3.159 10 5 EGBERO Cc1cc(N2CCC[C@H](CC[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235838868 153450264 /nfs/dbraw/zinc/45/02/64/153450264.db2.gz LUSDCRCAMQFDOX-LLVKDONJSA-N 1 0 342.237 3.231 10 5 EGBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000303586074 154048323 /nfs/dbraw/zinc/04/83/23/154048323.db2.gz QNEUGBYZPMQVSW-IEBWSBKVSA-N 1 0 346.427 3.157 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000326603665 154184019 /nfs/dbraw/zinc/18/40/19/154184019.db2.gz MMFBYKGNZPONLS-QGZVFWFLSA-N 1 0 327.384 3.113 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000336875970 154225893 /nfs/dbraw/zinc/22/58/93/154225893.db2.gz OHAAPCKIEKYWBK-HOTGVXAUSA-N 1 0 328.368 3.476 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@]2(O)CCSC2)c2ccccc2)c1 ZINC000305857272 163083333 /nfs/dbraw/zinc/08/33/33/163083333.db2.gz WXGDJNGDFQTRFV-QZTJIDSGSA-N 1 0 344.436 3.142 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344084180 164099291 /nfs/dbraw/zinc/09/92/91/164099291.db2.gz GDEHTAYDTVZCPT-OAHLLOKOSA-N 1 0 331.416 3.354 10 5 EGBERO CN1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000352093578 165232401 /nfs/dbraw/zinc/23/24/01/165232401.db2.gz RJOXSCJKBAGEEI-RTBURBONSA-N 1 0 341.411 3.009 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355739905 166293376 /nfs/dbraw/zinc/29/33/76/166293376.db2.gz JPZAZTKBINZAOT-HZSPNIEDSA-N 1 0 349.431 3.298 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359554690 167190959 /nfs/dbraw/zinc/19/09/59/167190959.db2.gz JJQWPRJXOFATNB-FZKQIMNGSA-N 1 0 331.416 3.354 10 5 EGBERO CC[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175782702 265137862 /nfs/dbraw/zinc/13/78/62/265137862.db2.gz QNTLBVCMLDJTJI-WMLDXEAASA-N 1 0 348.447 3.077 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000177564800 265263258 /nfs/dbraw/zinc/26/32/58/265263258.db2.gz XCDLTWWTHNHJHS-ZIAGYGMSSA-N 1 0 328.372 3.267 10 5 EGBERO C[NH2+]C[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234394264 266207783 /nfs/dbraw/zinc/20/77/83/266207783.db2.gz YTCMGZIBHXYBQL-NSHDSACASA-N 1 0 342.237 3.102 10 5 EGBERO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000271681718 266705664 /nfs/dbraw/zinc/70/56/64/266705664.db2.gz CPHLMZOFJAQCIG-LBPRGKRZSA-N 1 0 331.328 3.233 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000273404416 267034278 /nfs/dbraw/zinc/03/42/78/267034278.db2.gz JLLODBUQSOCKEH-QJBGNIAUSA-N 1 0 343.427 3.130 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278412150 268007662 /nfs/dbraw/zinc/00/76/62/268007662.db2.gz QDZSMNNBFHKUPY-TZMCWYRMSA-N 1 0 332.322 3.038 10 5 EGBERO COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000185686387 275215984 /nfs/dbraw/zinc/21/59/84/275215984.db2.gz BKTBBJDWDNTAEA-LIRRHRJNSA-N 1 0 343.427 3.384 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000278616659 275259379 /nfs/dbraw/zinc/25/93/79/275259379.db2.gz FSRBCCDWXIIHMJ-MNOVXSKESA-N 1 0 345.321 3.196 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000282428196 275633099 /nfs/dbraw/zinc/63/30/99/275633099.db2.gz MDUSDDOTIGYDFO-XJKSGUPXSA-N 1 0 328.416 3.317 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000058130485 280358492 /nfs/dbraw/zinc/35/84/92/280358492.db2.gz IDCHFBIMNVRVMF-BLLLJJGKSA-N 1 0 339.823 3.161 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368099885 280374922 /nfs/dbraw/zinc/37/49/22/280374922.db2.gz GLLZTABQGDMERI-CWRNSKLLSA-N 1 0 340.427 3.176 10 5 EGBERO Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235171162 280552052 /nfs/dbraw/zinc/55/20/52/280552052.db2.gz WRSYOVNEDQUJHI-GHMZBOCLSA-N 1 0 342.237 3.229 10 5 EGBERO Cc1sc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298411599 308612169 /nfs/dbraw/zinc/61/21/69/308612169.db2.gz WNMDNVXQFLGQGY-LLVKDONJSA-N 1 0 339.442 3.059 10 5 EGBERO C[C@H]1C[NH+](Cc2cccc(Nc3ccc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000301341193 308697058 /nfs/dbraw/zinc/69/70/58/308697058.db2.gz DZXCKRUCFCXDPV-KBPBESRZSA-N 1 0 342.399 3.343 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216036 309390848 /nfs/dbraw/zinc/39/08/48/309390848.db2.gz RHDYDNAYQLORGJ-KXBFYZLASA-N 1 0 325.412 3.273 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC2CC(O)C2)c2ccccc2)c1 ZINC000432421750 309660676 /nfs/dbraw/zinc/66/06/76/309660676.db2.gz QNTKYFGTMWPVFP-DNOPENIRSA-N 1 0 326.396 3.435 10 5 EGBERO COc1ccccc1C=CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835958 309969065 /nfs/dbraw/zinc/96/90/65/309969065.db2.gz REEDNOOULSHDNV-XQRVVYSFSA-N 1 0 338.367 3.283 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(C)(F)F ZINC000449349336 310055949 /nfs/dbraw/zinc/05/59/49/310055949.db2.gz FKKHXWDGLUSZCO-NSHDSACASA-N 1 0 329.347 3.337 10 5 EGBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449420034 310060567 /nfs/dbraw/zinc/06/05/67/310060567.db2.gz ISRBWTGQSVDURR-PBHICJAKSA-N 1 0 330.384 3.448 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449674595 310079835 /nfs/dbraw/zinc/07/98/35/310079835.db2.gz VQWVGKJFXRBBCI-IUODEOHRSA-N 1 0 346.349 3.463 10 5 EGBERO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000484646594 310967777 /nfs/dbraw/zinc/96/77/77/310967777.db2.gz XXNWUBKSLAYJRR-IRXDYDNUSA-N 1 0 344.415 3.080 10 5 EGBERO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488410768 311064136 /nfs/dbraw/zinc/06/41/36/311064136.db2.gz LYQFUKIPEJTBJW-HZPDHXFCSA-N 1 0 336.432 3.235 10 5 EGBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000508582198 312097210 /nfs/dbraw/zinc/09/72/10/312097210.db2.gz MBIYXKQQJARWLP-LBPRGKRZSA-N 1 0 346.408 3.318 10 5 EGBERO C[C@@H]1C[C@H](CCNc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641471 312165138 /nfs/dbraw/zinc/16/51/38/312165138.db2.gz BQZITDJMGZMJMP-WBVHZDCISA-N 1 0 340.427 3.124 10 5 EGBERO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)[NH+](C)C)cc1 ZINC000511966513 312172968 /nfs/dbraw/zinc/17/29/68/312172968.db2.gz ZSWCPPOUJPQNAY-GOSISDBHSA-N 1 0 341.411 3.244 10 5 EGBERO C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000514701525 312239454 /nfs/dbraw/zinc/23/94/54/312239454.db2.gz ZQSDGZAFNRUJSZ-MAUKXSAKSA-N 1 0 345.443 3.175 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000530439749 313535460 /nfs/dbraw/zinc/53/54/60/313535460.db2.gz XFPVYLPCLKAZAS-BMGDILEWSA-N 1 0 334.416 3.159 10 5 EGBERO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539376938 314309380 /nfs/dbraw/zinc/30/93/80/314309380.db2.gz GEPNYHWZXBQBQR-ZDUSSCGKSA-N 1 0 344.367 3.111 10 5 EGBERO C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000539382797 314310172 /nfs/dbraw/zinc/31/01/72/314310172.db2.gz SSZRBLAZJMASLY-CYBMUJFWSA-N 1 0 344.367 3.443 10 5 EGBERO O=C(CC[NH2+][C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548763675 315044819 /nfs/dbraw/zinc/04/48/19/315044819.db2.gz VRPMVVBBXQHSFC-GOEBONIOSA-N 1 0 325.368 3.069 10 5 EGBERO Cc1c(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000550682018 315132340 /nfs/dbraw/zinc/13/23/40/315132340.db2.gz GXDHYYOHKHAQLQ-IEBWSBKVSA-N 1 0 325.412 3.438 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000552168558 315203399 /nfs/dbraw/zinc/20/33/99/315203399.db2.gz IVKXOAZNTXULCO-UHFFFAOYSA-N 1 0 345.443 3.311 10 5 EGBERO COC(=O)c1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000564317577 316135628 /nfs/dbraw/zinc/13/56/28/316135628.db2.gz FHWKQTARXBGEOT-CQSZACIVSA-N 1 0 342.395 3.492 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271363079 455611484 /nfs/dbraw/zinc/61/14/84/455611484.db2.gz AFCAGCRIMJRZKB-ZDUSSCGKSA-N 1 0 326.780 3.024 10 5 EGBERO COC(=O)c1cc(F)ccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000171618002 323242548 /nfs/dbraw/zinc/24/25/48/323242548.db2.gz ROMOLZBKYYASRT-UHFFFAOYSA-N 1 0 332.331 3.153 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](CC3CC3)CC1)CCCC2 ZINC000581307040 325350459 /nfs/dbraw/zinc/35/04/59/325350459.db2.gz BQJJOWCDRVFJOY-UHFFFAOYSA-N 1 0 330.432 3.155 10 5 EGBERO CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583574559 325535429 /nfs/dbraw/zinc/53/54/29/325535429.db2.gz CRERKGOEASAYES-QFBILLFUSA-N 1 0 339.439 3.345 10 5 EGBERO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000237938710 455235821 /nfs/dbraw/zinc/23/58/21/455235821.db2.gz ZAOCTFXJYYMDQZ-UHFFFAOYSA-N 1 0 349.390 3.095 10 5 EGBERO CCOC(=O)CCCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003026190 452739958 /nfs/dbraw/zinc/73/99/58/452739958.db2.gz XPDSXOUHOGKOPO-UHFFFAOYSA-N 1 0 328.796 3.461 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC(C1CCC1)C1CCC1 ZINC000600742720 460586921 /nfs/dbraw/zinc/58/69/21/460586921.db2.gz AJLLBAOMIIUGNA-MRXNPFEDSA-N 1 0 348.443 3.141 10 5 EGBERO COC(=O)c1cc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)cc([N+](=O)[O-])c1 ZINC000600787595 460604575 /nfs/dbraw/zinc/60/45/75/460604575.db2.gz BLSXEEAAUNKLAE-AWEZNQCLSA-N 1 0 340.379 3.200 10 5 EGBERO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000030272989 453834608 /nfs/dbraw/zinc/83/46/08/453834608.db2.gz ODGOVXVSXYYTLM-CQSZACIVSA-N 1 0 333.432 3.235 10 5 EGBERO COc1cccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000066796574 453874310 /nfs/dbraw/zinc/87/43/10/453874310.db2.gz QDWFRQUDPSDWDT-QGZVFWFLSA-N 1 0 342.399 3.247 10 5 EGBERO CC[NH+](CC)CCSc1ncc(Br)cc1[N+](=O)[O-] ZINC000088734452 454117942 /nfs/dbraw/zinc/11/79/42/454117942.db2.gz GXUPCNSXOJFCHF-UHFFFAOYSA-N 1 0 334.239 3.186 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732277 454185860 /nfs/dbraw/zinc/18/58/60/454185860.db2.gz GHJVAHVTPUVNCG-HOCLYGCPSA-N 1 0 341.415 3.013 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000130286723 454188572 /nfs/dbraw/zinc/18/85/72/454188572.db2.gz SSCJVGFDAUEPOQ-UHFFFAOYSA-N 1 0 339.823 3.098 10 5 EGBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCSCC1 ZINC000089985022 454254468 /nfs/dbraw/zinc/25/44/68/454254468.db2.gz XVYQLDVQNZRRNX-NSHDSACASA-N 1 0 334.401 3.145 10 5 EGBERO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000047141255 454333678 /nfs/dbraw/zinc/33/36/78/454333678.db2.gz YBSMVTOGNJTNOZ-UHFFFAOYSA-N 1 0 343.383 3.071 10 5 EGBERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090687983 454336549 /nfs/dbraw/zinc/33/65/49/454336549.db2.gz FQCYQTSIGAXQPY-UNEWFSDZSA-N 1 0 348.447 3.170 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000123821758 454678998 /nfs/dbraw/zinc/67/89/98/454678998.db2.gz VGMFKWDJSKIFSQ-INIZCTEOSA-N 1 0 343.383 3.063 10 5 EGBERO CC(C)c1ccc(C[NH+]2CCC(OCCCO)CC2)cc1[N+](=O)[O-] ZINC000093694575 454729928 /nfs/dbraw/zinc/72/99/28/454729928.db2.gz YPSFTJWXUFMYSW-UHFFFAOYSA-N 1 0 336.432 3.082 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000162129711 454752941 /nfs/dbraw/zinc/75/29/41/454752941.db2.gz XEAGYVXRKCVNCF-TVQRCGJNSA-N 1 0 329.194 3.014 10 5 EGBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124745361 454766396 /nfs/dbraw/zinc/76/63/96/454766396.db2.gz GGLBTSXJKXJWNW-ZFWWWQNUSA-N 1 0 347.459 3.447 10 5 EGBERO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000150747315 454886247 /nfs/dbraw/zinc/88/62/47/454886247.db2.gz PVFAFGZFFMUFAG-ZDUSSCGKSA-N 1 0 335.404 3.197 10 5 EGBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000156198181 455092121 /nfs/dbraw/zinc/09/21/21/455092121.db2.gz JBHFRJNXRUUTKF-CQSZACIVSA-N 1 0 330.384 3.242 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000157635149 455215612 /nfs/dbraw/zinc/21/56/12/455215612.db2.gz GAMUDSRWUCVJSF-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO COc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000190395173 455307953 /nfs/dbraw/zinc/30/79/53/455307953.db2.gz WLZBHXYTYVGIQI-UHFFFAOYSA-N 1 0 330.384 3.258 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245499509 455314684 /nfs/dbraw/zinc/31/46/84/455314684.db2.gz YGCPEVGVONVHHX-WBVHZDCISA-N 1 0 333.432 3.051 10 5 EGBERO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183834098 455331062 /nfs/dbraw/zinc/33/10/62/455331062.db2.gz OIJGPCWPJZKTQW-QGZVFWFLSA-N 1 0 341.411 3.046 10 5 EGBERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181534059 455351335 /nfs/dbraw/zinc/35/13/35/455351335.db2.gz FTAROQAPEXZQLC-HNNXBMFYSA-N 1 0 343.383 3.283 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181550600 455352775 /nfs/dbraw/zinc/35/27/75/455352775.db2.gz LZAOPHOAQKGEGQ-MSOLQXFVSA-N 1 0 344.411 3.384 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181545300 455353144 /nfs/dbraw/zinc/35/31/44/455353144.db2.gz CYYLKJXUENQBIV-HNNXBMFYSA-N 1 0 333.413 3.013 10 5 EGBERO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184185355 455360555 /nfs/dbraw/zinc/36/05/55/455360555.db2.gz ZLWDQSWQTNHTRF-NSHDSACASA-N 1 0 334.401 3.039 10 5 EGBERO CO[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000190912277 455403832 /nfs/dbraw/zinc/40/38/32/455403832.db2.gz GNYXVQNKDPZDCL-DOMZBBRYSA-N 1 0 333.413 3.375 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@H]2c2nccs2)c1 ZINC000246214954 455450627 /nfs/dbraw/zinc/45/06/27/455450627.db2.gz CQVRWCDABKWRFL-LSDHHAIUSA-N 1 0 333.413 3.312 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246466899 455495467 /nfs/dbraw/zinc/49/54/67/455495467.db2.gz PUDKIDKWGBRLKG-TZMCWYRMSA-N 1 0 334.420 3.062 10 5 EGBERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192635948 455658843 /nfs/dbraw/zinc/65/88/43/455658843.db2.gz APIZOBSDKMGCIW-SFHVURJKSA-N 1 0 328.416 3.155 10 5 EGBERO CN1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284433810 455684872 /nfs/dbraw/zinc/68/48/72/455684872.db2.gz YTRVGUBCPCVPGH-VQIMIIECSA-N 1 0 341.411 3.009 10 5 EGBERO C[NH+](C)C(C)(C)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277853984 455686550 /nfs/dbraw/zinc/68/65/50/455686550.db2.gz SWTBVSVGEBRVQT-UHFFFAOYSA-N 1 0 337.423 3.164 10 5 EGBERO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000271817550 455771908 /nfs/dbraw/zinc/77/19/08/455771908.db2.gz ZKBNFEDZONPOPH-GFCCVEGCSA-N 1 0 331.328 3.233 10 5 EGBERO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C[NH+](C)C ZINC000293933580 455800897 /nfs/dbraw/zinc/80/08/97/455800897.db2.gz UGBRYIPOGDNKNC-ZDUSSCGKSA-N 1 0 337.423 3.021 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195356156 455949598 /nfs/dbraw/zinc/94/95/98/455949598.db2.gz FJQTUWTYFZCDQX-ZDUSSCGKSA-N 1 0 333.413 3.310 10 5 EGBERO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000301298621 456084091 /nfs/dbraw/zinc/08/40/91/456084091.db2.gz QDLFOVSGLUJAKN-UHFFFAOYSA-N 1 0 348.334 3.316 10 5 EGBERO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000301446671 456117243 /nfs/dbraw/zinc/11/72/43/456117243.db2.gz RIHOCNPLDRXEJR-ZBFHGGJFSA-N 1 0 341.415 3.016 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967900 456260215 /nfs/dbraw/zinc/26/02/15/456260215.db2.gz XCQHBWXENIPALS-AAEUAGOBSA-N 1 0 341.358 3.259 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000302090463 456285404 /nfs/dbraw/zinc/28/54/04/456285404.db2.gz LYZDQVKWUMVMJM-UHFFFAOYSA-N 1 0 343.383 3.229 10 5 EGBERO COc1cc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000302137867 456296562 /nfs/dbraw/zinc/29/65/62/456296562.db2.gz IISLRLQDWBEROZ-GFCCVEGCSA-N 1 0 325.384 3.419 10 5 EGBERO C[C@@H](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCCCC1 ZINC000601142256 460729703 /nfs/dbraw/zinc/72/97/03/460729703.db2.gz PCCXAJSQAFLDNB-JTQLQIEISA-N 1 0 349.357 3.024 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)o2)c1 ZINC000349296735 456935673 /nfs/dbraw/zinc/93/56/73/456935673.db2.gz LWIPGGFSUBJBBS-CQSZACIVSA-N 1 0 344.289 3.258 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000342282093 457210429 /nfs/dbraw/zinc/21/04/29/457210429.db2.gz NROMNMHKTCLSFM-VXGBXAGGSA-N 1 0 334.372 3.376 10 5 EGBERO CNC(=O)C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000360770416 457344982 /nfs/dbraw/zinc/34/49/82/457344982.db2.gz DMUDMFISENSVJX-GJBHZFNWSA-N 1 0 339.395 3.075 10 5 EGBERO CNC(=O)C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000360770415 457345363 /nfs/dbraw/zinc/34/53/63/457345363.db2.gz DMUDMFISENSVJX-CGICMKJESA-N 1 0 339.395 3.075 10 5 EGBERO CC(C)Cn1ccnc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000357274841 457415744 /nfs/dbraw/zinc/41/57/44/457415744.db2.gz CGVQEFWRLLFREC-UHFFFAOYSA-N 1 0 344.415 3.041 10 5 EGBERO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000357352701 457467597 /nfs/dbraw/zinc/46/75/97/457467597.db2.gz JRLJFTAGPDNOBH-UHFFFAOYSA-N 1 0 339.461 3.169 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000374752252 457700812 /nfs/dbraw/zinc/70/08/12/457700812.db2.gz PKSYCQXKEQQCIV-ZVZYQTTQSA-N 1 0 348.443 3.122 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000433070826 457751195 /nfs/dbraw/zinc/75/11/95/457751195.db2.gz WFLZOAJPVIEGTG-KVULBXGLSA-N 1 0 331.416 3.400 10 5 EGBERO COCCN1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166792 457766851 /nfs/dbraw/zinc/76/68/51/457766851.db2.gz GZLNXOLGULZNAD-QAPCUYQASA-N 1 0 347.459 3.018 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000427486461 457993612 /nfs/dbraw/zinc/99/36/12/457993612.db2.gz JFGCCUMRQKDYPB-LLVKDONJSA-N 1 0 327.812 3.015 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCCC(C)(C)C1 ZINC000438333098 458564840 /nfs/dbraw/zinc/56/48/40/458564840.db2.gz GKOMUTWIQUTFHU-GOSISDBHSA-N 1 0 336.432 3.414 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000462763919 458651229 /nfs/dbraw/zinc/65/12/29/458651229.db2.gz MUUUZEYNVZFRTR-DOTOQJQBSA-N 1 0 347.459 3.154 10 5 EGBERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000471151570 458680416 /nfs/dbraw/zinc/68/04/16/458680416.db2.gz NELIFDTXKGYQON-KSSFIOAISA-N 1 0 336.432 3.141 10 5 EGBERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000518383014 458862604 /nfs/dbraw/zinc/86/26/04/458862604.db2.gz FKDBAXNTHYFJFW-MFKMUULPSA-N 1 0 345.237 3.244 10 5 EGBERO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000475153438 458925640 /nfs/dbraw/zinc/92/56/40/458925640.db2.gz BCSNWXSXKUEODO-IAGOWNOFSA-N 1 0 345.443 3.288 10 5 EGBERO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441658722 458969035 /nfs/dbraw/zinc/96/90/35/458969035.db2.gz WROHEGPONZYAEU-RDJZCZTQSA-N 1 0 336.432 3.235 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000476906762 459021866 /nfs/dbraw/zinc/02/18/66/459021866.db2.gz CHSUTRAVNHCBBD-UHFFFAOYSA-N 1 0 349.406 3.142 10 5 EGBERO Cc1cccc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000476926751 459021916 /nfs/dbraw/zinc/02/19/16/459021916.db2.gz QQLBJNYPFKCBNZ-UHFFFAOYSA-N 1 0 345.443 3.311 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594510016 459067620 /nfs/dbraw/zinc/06/76/20/459067620.db2.gz MVJYYYHNHWHACR-NYTXWWLZSA-N 1 0 335.448 3.052 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000590658894 459174464 /nfs/dbraw/zinc/17/44/64/459174464.db2.gz MDFDZTVFQFRLHG-XIEZEKGWSA-N 1 0 342.395 3.025 10 5 EGBERO Cn1ncc(C2CCC2)c1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594983353 459205386 /nfs/dbraw/zinc/20/53/86/459205386.db2.gz KLRYTPOJNXLIFH-WEVVVXLNSA-N 1 0 326.400 3.399 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CCC(O)CC3)o2)cc1 ZINC000594991165 459206441 /nfs/dbraw/zinc/20/64/41/459206441.db2.gz FPECKRHAVNZUIK-UHFFFAOYSA-N 1 0 330.384 3.496 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000594999544 459210549 /nfs/dbraw/zinc/21/05/49/459210549.db2.gz UVTKEXXSBMDHBB-LJQANCHMSA-N 1 0 325.412 3.267 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CF)CCOCC1 ZINC000595041654 459225527 /nfs/dbraw/zinc/22/55/27/459225527.db2.gz NPJFFVOELPIIPY-GFCCVEGCSA-N 1 0 326.368 3.020 10 5 EGBERO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595049727 459227951 /nfs/dbraw/zinc/22/79/51/459227951.db2.gz NZCXYSWXAQDLKB-KGLIPLIRSA-N 1 0 342.399 3.100 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595062689 459233780 /nfs/dbraw/zinc/23/37/80/459233780.db2.gz OBXUACNNSVPSEK-DLTWYDFYSA-N 1 0 336.432 3.120 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000595081659 459239898 /nfs/dbraw/zinc/23/98/98/459239898.db2.gz UERGQHVQMPAHLE-XHDPSFHLSA-N 1 0 341.358 3.337 10 5 EGBERO Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595091919 459242111 /nfs/dbraw/zinc/24/21/11/459242111.db2.gz UNUMFCQNTCBQLH-MAUKXSAKSA-N 1 0 340.427 3.237 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226672 459258401 /nfs/dbraw/zinc/25/84/01/459258401.db2.gz YELIXTDREXZRFE-WBVHZDCISA-N 1 0 345.443 3.206 10 5 EGBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCO[C@H]3CC3(F)F)C2)cc1 ZINC000595519772 459331903 /nfs/dbraw/zinc/33/19/03/459331903.db2.gz CHIQVCOPRFWZIE-ZFWWWQNUSA-N 1 0 326.343 3.198 10 5 EGBERO CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595692812 459399290 /nfs/dbraw/zinc/39/92/90/459399290.db2.gz QPLJECFSILEUBE-ZBFHGGJFSA-N 1 0 348.447 3.218 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC(F)CC1 ZINC000595818051 459451191 /nfs/dbraw/zinc/45/11/91/459451191.db2.gz CSYXSNBMNDGIMX-VBRUCIBASA-N 1 0 349.406 3.207 10 5 EGBERO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595820779 459452301 /nfs/dbraw/zinc/45/23/01/459452301.db2.gz WGVFIHGDIMHZCI-FEPKRQSRSA-N 1 0 337.395 3.428 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595819020 459452474 /nfs/dbraw/zinc/45/24/74/459452474.db2.gz KXGMSFMRKUOFDM-MRFVTOPCSA-N 1 0 337.395 3.428 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908191 459483306 /nfs/dbraw/zinc/48/33/06/459483306.db2.gz ZNANHVGQGPTPSO-WBVHZDCISA-N 1 0 335.448 3.007 10 5 EGBERO COc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596118750 459528311 /nfs/dbraw/zinc/52/83/11/459528311.db2.gz DMZBAKMSBAQNKJ-LLVKDONJSA-N 1 0 325.796 3.153 10 5 EGBERO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167369 459545949 /nfs/dbraw/zinc/54/59/49/459545949.db2.gz CGNCXGBUYWNJLC-YPMHNXCESA-N 1 0 339.823 3.177 10 5 EGBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000596282628 459582606 /nfs/dbraw/zinc/58/26/06/459582606.db2.gz YTULDOFJQIVVCL-IINYFYTJSA-N 1 0 329.322 3.144 10 5 EGBERO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392241 459588981 /nfs/dbraw/zinc/58/89/81/459588981.db2.gz KBZMGYGNNZMZNO-IAQYHMDHSA-N 1 0 338.358 3.299 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CCC(F)CC1 ZINC000592398997 459592019 /nfs/dbraw/zinc/59/20/19/459592019.db2.gz LHUQJXBOWFLUAL-HSBZDZAISA-N 1 0 337.395 3.430 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592425644 459598611 /nfs/dbraw/zinc/59/86/11/459598611.db2.gz GTGWJCLVLVXPAN-OAHLLOKOSA-N 1 0 332.404 3.008 10 5 EGBERO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc2n(n1)CCC2 ZINC000584338483 459713818 /nfs/dbraw/zinc/71/38/18/459713818.db2.gz YHGCCKDPTORJPY-LBPRGKRZSA-N 1 0 339.399 3.112 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000584744328 459793829 /nfs/dbraw/zinc/79/38/29/459793829.db2.gz WKEIIBFXMOMJTN-QGZVFWFLSA-N 1 0 339.399 3.093 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC000593183616 459799436 /nfs/dbraw/zinc/79/94/36/459799436.db2.gz DNCFECCUNDGQAW-BLLLJJGKSA-N 1 0 327.384 3.022 10 5 EGBERO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602472765 459956253 /nfs/dbraw/zinc/95/62/53/459956253.db2.gz BPZDFZLTLXXSHQ-LBPRGKRZSA-N 1 0 346.305 3.141 10 5 EGBERO CC1(C2CC2)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000589520676 460099202 /nfs/dbraw/zinc/09/92/02/460099202.db2.gz PSIRSSBCWBPKQL-UHFFFAOYSA-N 1 0 332.400 3.378 10 5 EGBERO CCOc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(F)cc1OC ZINC000598961269 460104439 /nfs/dbraw/zinc/10/44/39/460104439.db2.gz KDFSUFLUEVCRRP-UHFFFAOYSA-N 1 0 348.374 3.474 10 5 EGBERO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598986909 460117795 /nfs/dbraw/zinc/11/77/95/460117795.db2.gz HFIKZLDCDIRALE-YVEFUNNKSA-N 1 0 345.424 3.375 10 5 EGBERO C[NH+]1CCC([C@@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000599058584 460146357 /nfs/dbraw/zinc/14/63/57/460146357.db2.gz JSEYIKUYMNHLIX-MRXNPFEDSA-N 1 0 340.427 3.311 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073596 460151689 /nfs/dbraw/zinc/15/16/89/460151689.db2.gz DVSKSTALKDYUNR-YVEFUNNKSA-N 1 0 325.368 3.072 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)nc1-c1ccccc1 ZINC000599092123 460158996 /nfs/dbraw/zinc/15/89/96/460158996.db2.gz GOTPKFDXWNUPFX-UHFFFAOYSA-N 1 0 344.390 3.138 10 5 EGBERO CC[C@@H](NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610530787 460177644 /nfs/dbraw/zinc/17/76/44/460177644.db2.gz FNXRFNMVLYVPGI-DOTOQJQBSA-N 1 0 348.447 3.218 10 5 EGBERO COc1cc(CN2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000614923814 460246240 /nfs/dbraw/zinc/24/62/40/460246240.db2.gz FRURPJAJBGQSKY-CQSZACIVSA-N 1 0 348.321 3.147 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673550 460305690 /nfs/dbraw/zinc/30/56/90/460305690.db2.gz TYASAOPBHUENOJ-UHFFFAOYSA-N 1 0 347.415 3.198 10 5 EGBERO C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689240 460311953 /nfs/dbraw/zinc/31/19/53/460311953.db2.gz HWJBWUKZARIMGU-VNHAASDWSA-N 1 0 334.416 3.013 10 5 EGBERO C/C=C\C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691025 460312481 /nfs/dbraw/zinc/31/24/81/460312481.db2.gz QEOAIBPUZDWRQS-ABCZVMIZSA-N 1 0 331.416 3.236 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601218501 460754744 /nfs/dbraw/zinc/75/47/44/460754744.db2.gz WNIATQDLLMCGJB-UHFFFAOYSA-N 1 0 338.839 3.488 10 5 EGBERO CN(C)c1cc[nH+]c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601428865 460809656 /nfs/dbraw/zinc/80/96/56/460809656.db2.gz GWJLSFBNJVGWCX-UHFFFAOYSA-N 1 0 340.383 3.116 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000613178525 460853908 /nfs/dbraw/zinc/85/39/08/460853908.db2.gz MQLKAPJOFFRSSH-INIZCTEOSA-N 1 0 327.384 3.063 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000601744015 460888149 /nfs/dbraw/zinc/88/81/49/460888149.db2.gz ISBFRWCDZUEOKI-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000174464546 533891196 /nfs/dbraw/zinc/89/11/96/533891196.db2.gz PSFRLSGSXDZFKO-GHMZBOCLSA-N 1 0 340.811 3.195 10 5 EGBERO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187770075 528059328 /nfs/dbraw/zinc/05/93/28/528059328.db2.gz CYSRXJVFCKSRTI-ZFWWWQNUSA-N 1 0 333.432 3.273 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000246825692 536168631 /nfs/dbraw/zinc/16/86/31/536168631.db2.gz AJAGKROLLGKJDY-KBPBESRZSA-N 1 0 349.456 3.016 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000727094599 574647979 /nfs/dbraw/zinc/64/79/79/574647979.db2.gz FWDANGXMLDRXNU-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO CC[C@@H](C[NH+](C)C)OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000870546725 1295935563 /nfs/dbraw/zinc/93/55/63/1295935563.db2.gz COJBXUSOVDDHIP-JTQLQIEISA-N 1 0 334.294 3.111 10 5 EGBERO COc1cccc(C(=O)O[C@@H](C)C[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000870784717 1296079301 /nfs/dbraw/zinc/07/93/01/1296079301.db2.gz JZEOOYSAPOOVAN-QWHCGFSZSA-N 1 0 336.388 3.023 10 5 EGBERO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035058 1296683829 /nfs/dbraw/zinc/68/38/29/1296683829.db2.gz KIWQLEBQLREOAT-ZBEGNZNMSA-N 1 0 334.347 3.127 10 5 EGBERO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872051681 1296702771 /nfs/dbraw/zinc/70/27/71/1296702771.db2.gz KFAFRNXWEODGSK-KPZWWZAWSA-N 1 0 330.359 3.219 10 5 EGBERO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000872234316 1296835578 /nfs/dbraw/zinc/83/55/78/1296835578.db2.gz OHRUOIPGDIGVLG-CYBMUJFWSA-N 1 0 348.399 3.015 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000872247756 1296848165 /nfs/dbraw/zinc/84/81/65/1296848165.db2.gz NCCGRHNFXOZXDJ-GFCCVEGCSA-N 1 0 346.330 3.498 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886238622 1303408905 /nfs/dbraw/zinc/40/89/05/1303408905.db2.gz DSMUBSMQNVGIBI-OAHLLOKOSA-N 1 0 338.766 3.081 10 5 EGBERO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000886600824 1303518648 /nfs/dbraw/zinc/51/86/48/1303518648.db2.gz CBDRDXITYSPHGY-CMPLNLGQSA-N 1 0 346.305 3.045 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000886716104 1303577783 /nfs/dbraw/zinc/57/77/83/1303577783.db2.gz NZRRQXDVOTYBHW-CJNGLKHVSA-N 1 0 349.431 3.107 10 5 EGBERO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3c4ccccc4CC[C@H]3F)C2)c1 ZINC000895693119 1309469737 /nfs/dbraw/zinc/46/97/37/1309469737.db2.gz YMTYMPQGJUWJRE-DNDXXGFKSA-N 1 0 330.363 3.110 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896237236 1309762274 /nfs/dbraw/zinc/76/22/74/1309762274.db2.gz LDFSFPRELFYJGQ-LDCOFTPGSA-N 1 0 328.372 3.179 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1nc(CN(C)C)cs1 ZINC000922489357 1322541055 /nfs/dbraw/zinc/54/10/55/1322541055.db2.gz GQYWDMXKYHUJGP-NTUHNPAUSA-N 1 0 346.456 3.306 10 5 EGBERO Cc1c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000922533470 1322551039 /nfs/dbraw/zinc/55/10/39/1322551039.db2.gz BEAHPAJDWAWGOH-UAPYVXQJSA-N 1 0 326.396 3.086 10 5 EGBERO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000922873979 1322638347 /nfs/dbraw/zinc/63/83/47/1322638347.db2.gz YUMDUFYCVCUIKT-KGLIPLIRSA-N 1 0 330.388 3.275 10 5 EGBERO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000925640486 1325243373 /nfs/dbraw/zinc/24/33/73/1325243373.db2.gz IDBDNQXJJRCIFA-QFBILLFUSA-N 1 0 342.443 3.180 10 5 EGBERO C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926961201 1327798760 /nfs/dbraw/zinc/79/87/60/1327798760.db2.gz XGEGNRVXYJUORE-CABZTGNLSA-N 1 0 337.317 3.267 10 5 EGBERO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC000927032772 1327825560 /nfs/dbraw/zinc/82/55/60/1327825560.db2.gz PJWRLQMCJCSYDE-HIFRSBDPSA-N 1 0 335.473 3.437 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)cc1 ZINC000927160027 1327899905 /nfs/dbraw/zinc/89/99/05/1327899905.db2.gz KNMKQVJDWIFPQG-GOSISDBHSA-N 1 0 345.443 3.255 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861360381 1329412704 /nfs/dbraw/zinc/41/27/04/1329412704.db2.gz SJERABOWCIQVJW-QINSGFPZSA-N 1 0 344.411 3.417 10 5 EGBERO C[C@@H](C(=O)OCC12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000861361428 1329412713 /nfs/dbraw/zinc/41/27/13/1329412713.db2.gz XOUVOAXHTLBSHT-CQSZACIVSA-N 1 0 332.400 3.118 10 5 EGBERO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861490323 1329421712 /nfs/dbraw/zinc/42/17/12/1329421712.db2.gz WODQIIZBTDZBRI-HNNXBMFYSA-N 1 0 341.411 3.304 10 5 EGBERO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)cc1Cl ZINC000863649942 1329570524 /nfs/dbraw/zinc/57/05/24/1329570524.db2.gz LBNYHSAXWCRRBM-UHFFFAOYSA-N 1 0 333.775 3.342 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208659 1330078749 /nfs/dbraw/zinc/07/87/49/1330078749.db2.gz WBWZYHCBCXAPHS-PWSUYJOCSA-N 1 0 329.322 3.144 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000866512250 1330120126 /nfs/dbraw/zinc/12/01/26/1330120126.db2.gz IKRVODOMPLLRSX-YEWDVWPNSA-N 1 0 334.416 3.459 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000866512247 1330120182 /nfs/dbraw/zinc/12/01/82/1330120182.db2.gz IKRVODOMPLLRSX-WPKBUWHJSA-N 1 0 334.416 3.459 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC23CCOCC3)n1 ZINC000866532247 1330122586 /nfs/dbraw/zinc/12/25/86/1330122586.db2.gz VOPQLXGQVKHGPZ-ARFHVFGLSA-N 1 0 348.447 3.071 10 5 EGBERO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000868091959 1330248129 /nfs/dbraw/zinc/24/81/29/1330248129.db2.gz SYYBSKZXQJLJLF-NSHDSACASA-N 1 0 340.811 3.148 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868163941 1330257614 /nfs/dbraw/zinc/25/76/14/1330257614.db2.gz PGROVQALICADDP-UHFFFAOYSA-N 1 0 342.399 3.334 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC=CCC1 ZINC001323614283 1387407076 /nfs/dbraw/zinc/40/70/76/1387407076.db2.gz TXCDGWQKZQCQBQ-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO C[NH+](C)[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC001184515997 1387481629 /nfs/dbraw/zinc/48/16/29/1387481629.db2.gz JRYRYARUJCYUIT-HNNXBMFYSA-N 1 0 326.356 3.451 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC001184740802 1387525101 /nfs/dbraw/zinc/52/51/01/1387525101.db2.gz WEXXTHROJRCSCY-HNNXBMFYSA-N 1 0 337.468 3.432 10 5 EGBERO CC(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001191056821 1367413142 /nfs/dbraw/zinc/41/31/42/1367413142.db2.gz HRMBDBPTTDNOMG-OAHLLOKOSA-N 1 0 345.443 3.242 10 5 EGBERO COc1ccc(C[C@H]2CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001191497343 1367514076 /nfs/dbraw/zinc/51/40/76/1367514076.db2.gz TYUXSTLXHNUYQZ-MRXNPFEDSA-N 1 0 342.395 3.429 10 5 EGBERO Cc1ccc(C[NH2+]C2(C(=O)NCC(C)C)CCCC2)cc1[N+](=O)[O-] ZINC001191831070 1367606998 /nfs/dbraw/zinc/60/69/98/1367606998.db2.gz AZEUIIAWMRBTLV-UHFFFAOYSA-N 1 0 333.432 3.078 10 5 EGBERO O=C(C[N@@H+]1CC[C@@H](C2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195148155 1368388132 /nfs/dbraw/zinc/38/81/32/1368388132.db2.gz RUQQBMNRLUOCIQ-GFCCVEGCSA-N 1 0 337.807 3.309 10 5 EGBERO Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001186413394 1387937846 /nfs/dbraw/zinc/93/78/46/1387937846.db2.gz HMQVEPWGHCDXGG-UHFFFAOYSA-N 1 0 329.375 3.363 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001197647597 1368862772 /nfs/dbraw/zinc/86/27/72/1368862772.db2.gz SWQPFWGOBQFTNM-SNVBAGLBSA-N 1 0 335.310 3.162 10 5 EGBERO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001186681268 1387997763 /nfs/dbraw/zinc/99/77/63/1387997763.db2.gz PECGTUXSEWBBSG-UHFFFAOYSA-N 1 0 329.347 3.483 10 5 EGBERO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC001186905448 1388026820 /nfs/dbraw/zinc/02/68/20/1388026820.db2.gz GEIWPPAECVAVSC-ARFHVFGLSA-N 1 0 340.427 3.478 10 5 EGBERO CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001325715820 1388033658 /nfs/dbraw/zinc/03/36/58/1388033658.db2.gz IKCYHRIIFRGWFL-CALCHBBNSA-N 1 0 345.443 3.065 10 5 EGBERO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC001130585689 1373565630 /nfs/dbraw/zinc/56/56/30/1373565630.db2.gz LDTPWGQYUIEQDH-MJBXVCDLSA-N 1 0 347.459 3.445 10 5 EGBERO C[N@H+](CCCNC(=O)C(F)=C1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001265824855 1377168199 /nfs/dbraw/zinc/16/81/99/1377168199.db2.gz IGILMMZUGBQKIX-UHFFFAOYSA-N 1 0 349.406 3.331 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001136732736 1377418646 /nfs/dbraw/zinc/41/86/46/1377418646.db2.gz DXOKLIVYIJIJAT-NJAFHUGGSA-N 1 0 345.443 3.079 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001162258360 1382708844 /nfs/dbraw/zinc/70/88/44/1382708844.db2.gz JYTOTQNBTDXZQM-TZMCWYRMSA-N 1 0 349.431 3.222 10 5 EGBERO C[C@@H](CCNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001163031734 1382951910 /nfs/dbraw/zinc/95/19/10/1382951910.db2.gz SDTUABAARWPTBQ-AWEZNQCLSA-N 1 0 328.416 3.241 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)c1 ZINC001167007076 1383515534 /nfs/dbraw/zinc/51/55/34/1383515534.db2.gz UNZPYTKFXVLJKS-UHFFFAOYSA-N 1 0 337.423 3.406 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1ccccc1)CC(C)C ZINC001307431816 1383989593 /nfs/dbraw/zinc/98/95/93/1383989593.db2.gz QLPIGLPLBBUWAY-UHFFFAOYSA-N 1 0 330.432 3.300 10 5 EGBERO CCOc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001308080021 1384087995 /nfs/dbraw/zinc/08/79/95/1384087995.db2.gz SIRLQBJVVDDUMU-HNNXBMFYSA-N 1 0 347.459 3.442 10 5 EGBERO CCC(CC)[NH2+]CCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC001312313468 1384339054 /nfs/dbraw/zinc/33/90/54/1384339054.db2.gz ULUTUGPISIZCEM-MRXNPFEDSA-N 1 0 336.436 3.123 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171017541 1384430545 /nfs/dbraw/zinc/43/05/45/1384430545.db2.gz FEXOQJAZYSWKKM-IAGOWNOFSA-N 1 0 328.416 3.368 10 5 EGBERO O=C(CCC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317070271 1384839484 /nfs/dbraw/zinc/83/94/84/1384839484.db2.gz DRXWNQGFRSABEM-QAQDUYKDSA-N 1 0 345.443 3.302 10 5 EGBERO CCOc1cc(C[NH+]2CCC(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC001176295049 1385543485 /nfs/dbraw/zinc/54/34/85/1385543485.db2.gz MELNDNQTHIMGBU-UHFFFAOYSA-N 1 0 342.399 3.163 10 5 EGBERO CC(C)=CC(=O)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001318865272 1385864552 /nfs/dbraw/zinc/86/45/52/1385864552.db2.gz PNZKNVGGUWURSK-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CCC[NH+](CCC)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001182609718 1387195828 /nfs/dbraw/zinc/19/58/28/1387195828.db2.gz YHBUVUAWTZWXNW-UHFFFAOYSA-N 1 0 341.839 3.490 10 5 EGBERO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001698705231 1406346952 /nfs/dbraw/zinc/34/69/52/1406346952.db2.gz MIYAWRPVDRJKQZ-WKILWMFISA-N 1 0 333.432 3.158 10 5 EGBERO CCc1[nH]c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC001331532925 1389786366 /nfs/dbraw/zinc/78/63/66/1389786366.db2.gz KDNAUCRQAFFAKG-UHFFFAOYSA-N 1 0 345.399 3.297 10 5 EGBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001350741902 1391520763 /nfs/dbraw/zinc/52/07/63/1391520763.db2.gz ZLMVZBRNFNJKLK-UHFFFAOYSA-N 1 0 333.432 3.035 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001353499193 1392024777 /nfs/dbraw/zinc/02/47/77/1392024777.db2.gz VZNNBXWAUNOUCA-LLVKDONJSA-N 1 0 327.812 3.098 10 5 EGBERO CC(C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001700627325 1414297941 /nfs/dbraw/zinc/29/79/41/1414297941.db2.gz UKQVEHDQTQMFNC-WKILWMFISA-N 1 0 333.432 3.015 10 5 EGBERO CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001707062274 1417177803 /nfs/dbraw/zinc/17/78/03/1417177803.db2.gz OFIZGCIJEAOAED-RJIHKOKOSA-N 1 0 345.443 3.182 10 5 EGBERO C[N@H+](CCCNC(=O)C1C(C)(C)C1(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001707369608 1417297605 /nfs/dbraw/zinc/29/76/05/1417297605.db2.gz WXUYZPAIQUBGRD-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO CCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC001733257600 1429408660 /nfs/dbraw/zinc/40/86/60/1429408660.db2.gz MREQJYNHOCHILI-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCC(C)(C)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723521131 1424450252 /nfs/dbraw/zinc/45/02/52/1424450252.db2.gz QRTOWUQRDUXLEF-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CCCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733564881 1429765591 /nfs/dbraw/zinc/76/55/91/1429765591.db2.gz NOVVNPNGGVKNKZ-JCNLHEQBSA-N 1 0 347.459 3.407 10 5 EGBERO CCC(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001724852938 1425218508 /nfs/dbraw/zinc/21/85/08/1425218508.db2.gz AVXGIHIGZRFEEJ-UHFFFAOYSA-N 1 0 335.448 3.311 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCC1 ZINC001734016493 1437806742 /nfs/dbraw/zinc/80/67/42/1437806742.db2.gz XKHGJTROVVOAAY-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000063214472 214750803 /nfs/dbraw/zinc/75/08/03/214750803.db2.gz TTWINFHLFYZCEN-MNOVXSKESA-N 1 0 328.210 3.429 10 5 EGBERO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000369712868 168467901 /nfs/dbraw/zinc/46/79/01/168467901.db2.gz QJQOLYVQXXKEDZ-UAGQMJEPSA-N 1 0 345.443 3.427 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCO2)c(Br)c1 ZINC000038096967 202102158 /nfs/dbraw/zinc/10/21/58/202102158.db2.gz UVSXLNSBMTXAHA-LBPRGKRZSA-N 1 0 329.194 3.016 10 5 EGBERO CC(C)C[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000024990510 202125091 /nfs/dbraw/zinc/12/50/91/202125091.db2.gz BMQZLUWBELIYIB-AWEZNQCLSA-N 1 0 334.420 3.227 10 5 EGBERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157582710 206144272 /nfs/dbraw/zinc/14/42/72/206144272.db2.gz IQCLMOMSIULNQP-PXAZEXFGSA-N 1 0 346.431 3.239 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)cc1 ZINC000377345791 169012853 /nfs/dbraw/zinc/01/28/53/169012853.db2.gz MTYJPWMFVFLFRL-QZTJIDSGSA-N 1 0 347.365 3.408 10 5 EGBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000174593631 207034723 /nfs/dbraw/zinc/03/47/23/207034723.db2.gz DQBBGNOWZLGOPH-UHFFFAOYSA-N 1 0 348.790 3.104 10 5 EGBERO Cn1cccc1[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175129997 207095279 /nfs/dbraw/zinc/09/52/79/207095279.db2.gz DAOZJTUFQTWCJI-KRWDZBQOSA-N 1 0 342.399 3.099 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372994641 533404839 /nfs/dbraw/zinc/40/48/39/533404839.db2.gz BWOKZRLNIQRJCI-SDNWHVSQSA-N 1 0 343.427 3.131 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338044895 141080265 /nfs/dbraw/zinc/08/02/65/141080265.db2.gz PWUURTVELDUMLX-UXLLHSPISA-N 1 0 345.443 3.381 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000338044896 141080560 /nfs/dbraw/zinc/08/05/60/141080560.db2.gz PWUURTVELDUMLX-ZOBUZTSGSA-N 1 0 345.443 3.381 10 5 EGBERO C[N@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCCC1 ZINC000342809897 141149679 /nfs/dbraw/zinc/14/96/79/141149679.db2.gz MNUTXFRBQUAVNX-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351770537 144304289 /nfs/dbraw/zinc/30/42/89/144304289.db2.gz HHNCVIKTQCACFA-VXGBXAGGSA-N 1 0 338.383 3.118 10 5 EGBERO O=[N+]([O-])c1cc(F)c(CN2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000351855539 144317069 /nfs/dbraw/zinc/31/70/69/144317069.db2.gz QGCTYDLAKVSJBA-UHFFFAOYSA-N 1 0 339.386 3.181 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185523026 152987171 /nfs/dbraw/zinc/98/71/71/152987171.db2.gz FZSALGHELMAXLT-AWEZNQCLSA-N 1 0 334.420 3.289 10 5 EGBERO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192711266 153256323 /nfs/dbraw/zinc/25/63/23/153256323.db2.gz NVHLNPSTPXJICV-QGZVFWFLSA-N 1 0 341.415 3.095 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([N+](=O)[O-])c1 ZINC000194509983 153339215 /nfs/dbraw/zinc/33/92/15/153339215.db2.gz GXQCJAYPEMHDKM-JFIYKMOQSA-N 1 0 339.351 3.179 10 5 EGBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000324863954 154177258 /nfs/dbraw/zinc/17/72/58/154177258.db2.gz HTAYCPKQYBDNDN-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO C[C@H]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000337321482 154282642 /nfs/dbraw/zinc/28/26/42/154282642.db2.gz QEGSNPZUESOWMS-KBXCAEBGSA-N 1 0 331.416 3.436 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128894626 162338879 /nfs/dbraw/zinc/33/88/79/162338879.db2.gz PMRGVPVKJNRZOB-HOTGVXAUSA-N 1 0 330.388 3.073 10 5 EGBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338282229 163205403 /nfs/dbraw/zinc/20/54/03/163205403.db2.gz LMDRCIKNQSUZCS-GFCCVEGCSA-N 1 0 347.337 3.136 10 5 EGBERO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342734182 163953211 /nfs/dbraw/zinc/95/32/11/163953211.db2.gz HUFLKDSOWHMMCK-GJZGRUSLSA-N 1 0 349.431 3.060 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000344429929 164177417 /nfs/dbraw/zinc/17/74/17/164177417.db2.gz BYZVUTIZFMAEST-ZDUSSCGKSA-N 1 0 332.429 3.375 10 5 EGBERO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350111989 165006108 /nfs/dbraw/zinc/00/61/08/165006108.db2.gz CNLYAXMVUZLLES-QGZVFWFLSA-N 1 0 334.395 3.130 10 5 EGBERO CS[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000358803612 166975217 /nfs/dbraw/zinc/97/52/17/166975217.db2.gz FRTQURGURVUFIT-RRQGHBQHSA-N 1 0 335.473 3.167 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000367257054 168199102 /nfs/dbraw/zinc/19/91/02/168199102.db2.gz DJATZAYFQRWEKW-ZNXRZULTSA-N 1 0 340.427 3.281 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000355691491 275037665 /nfs/dbraw/zinc/03/76/65/275037665.db2.gz HCESEDISUKNEDR-HXUWFJFHSA-N 1 0 337.423 3.227 10 5 EGBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000045654487 275134364 /nfs/dbraw/zinc/13/43/64/275134364.db2.gz JFJXLRQDYLYRQG-JTQLQIEISA-N 1 0 328.210 3.252 10 5 EGBERO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341849585 279845687 /nfs/dbraw/zinc/84/56/87/279845687.db2.gz QLOKNYJQHOKXFD-WMLDXEAASA-N 1 0 348.447 3.075 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294423332 308219784 /nfs/dbraw/zinc/21/97/84/308219784.db2.gz WYFCCLPWTKXTAD-SNVBAGLBSA-N 1 0 347.337 3.074 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CC ZINC000295833234 308364809 /nfs/dbraw/zinc/36/48/09/308364809.db2.gz ABEXWJOLCQLTFA-ZDUSSCGKSA-N 1 0 334.445 3.472 10 5 EGBERO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414779065 309100405 /nfs/dbraw/zinc/10/04/05/309100405.db2.gz ZLDVKOYQVWXIHJ-BONVTDFDSA-N 1 0 335.791 3.430 10 5 EGBERO O=[N+]([O-])c1ccc(CO)cc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000302023308 308725620 /nfs/dbraw/zinc/72/56/20/308725620.db2.gz GQDDGBMBNLYDTD-UHFFFAOYSA-N 1 0 333.432 3.296 10 5 EGBERO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929099 309109845 /nfs/dbraw/zinc/10/98/45/309109845.db2.gz NOLJJKLZOYNYKW-MLGOLLRUSA-N 1 0 331.441 3.411 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415699417 309141413 /nfs/dbraw/zinc/14/14/13/309141413.db2.gz IPYCILIEMUJBLS-OKILXGFUSA-N 1 0 346.431 3.251 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415761277 309143377 /nfs/dbraw/zinc/14/33/77/309143377.db2.gz LFLTWZQVEIUTJS-LBPRGKRZSA-N 1 0 342.399 3.499 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422708942 309364087 /nfs/dbraw/zinc/36/40/87/309364087.db2.gz CLQSOUWOIKEOJY-BRWVUGGUSA-N 1 0 333.432 3.004 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COc3ccccc3O1)CCC2 ZINC000447514517 309980424 /nfs/dbraw/zinc/98/04/24/309980424.db2.gz FUBWUWOJKZYYEJ-WBVHZDCISA-N 1 0 340.379 3.402 10 5 EGBERO COc1cc(C[N@@H+]2CCC=C(c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000451022516 310155939 /nfs/dbraw/zinc/15/59/39/310155939.db2.gz BKBFZLBLFCTQHS-UHFFFAOYSA-N 1 0 325.368 3.288 10 5 EGBERO COc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000467718795 310677166 /nfs/dbraw/zinc/67/71/66/310677166.db2.gz TVHUEYBGDSLWTI-CQSZACIVSA-N 1 0 347.390 3.327 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000485951236 310985130 /nfs/dbraw/zinc/98/51/30/310985130.db2.gz HWIKAOVXZWZPRJ-HNNXBMFYSA-N 1 0 335.448 3.226 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000488061398 311049553 /nfs/dbraw/zinc/04/95/53/311049553.db2.gz ZELYGFJOGUIAIX-AWEZNQCLSA-N 1 0 326.400 3.208 10 5 EGBERO CN(CC[C@H]1CCCC[N@@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488072772 311050126 /nfs/dbraw/zinc/05/01/26/311050126.db2.gz VRQSJXVHLQXBCU-CQSZACIVSA-N 1 0 328.416 3.454 10 5 EGBERO COc1cc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000492850309 311298945 /nfs/dbraw/zinc/29/89/45/311298945.db2.gz GEDXZYTVQVQAME-ACJLOTCBSA-N 1 0 342.395 3.427 10 5 EGBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000518383015 312414828 /nfs/dbraw/zinc/41/48/28/312414828.db2.gz FKDBAXNTHYFJFW-ZWNOBZJWSA-N 1 0 345.237 3.244 10 5 EGBERO CC(C)(C)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000530461799 313540402 /nfs/dbraw/zinc/54/04/02/313540402.db2.gz OPBWWJQDPVOBRW-OAHLLOKOSA-N 1 0 336.432 3.093 10 5 EGBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000535720013 314062866 /nfs/dbraw/zinc/06/28/66/314062866.db2.gz OVZNLXBZWKLKIG-XJKSGUPXSA-N 1 0 326.400 3.064 10 5 EGBERO C[C@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000539378340 314310089 /nfs/dbraw/zinc/31/00/89/314310089.db2.gz ZQTCTBIQFIJFBF-HNNXBMFYSA-N 1 0 330.384 3.341 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000549614066 315099092 /nfs/dbraw/zinc/09/90/92/315099092.db2.gz MGCLPASKNDZSEJ-DAYGRLMNSA-N 1 0 348.443 3.122 10 5 EGBERO CC(C)n1cncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564829681 316213585 /nfs/dbraw/zinc/21/35/85/316213585.db2.gz OERIRVWTBHFKEX-UHFFFAOYSA-N 1 0 327.388 3.186 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000580944701 325312378 /nfs/dbraw/zinc/31/23/78/325312378.db2.gz DFANXPACKXPBMI-UHFFFAOYSA-N 1 0 342.399 3.075 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000581677150 325382280 /nfs/dbraw/zinc/38/22/80/325382280.db2.gz RYBFSIFSAKPFCQ-DLBZAZTESA-N 1 0 339.395 3.049 10 5 EGBERO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCCC1 ZINC000237836182 455224281 /nfs/dbraw/zinc/22/42/81/455224281.db2.gz UUUXGVSQJJGBJE-UHFFFAOYSA-N 1 0 325.796 3.030 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189802135 455241705 /nfs/dbraw/zinc/24/17/05/455241705.db2.gz LDQUKSWJPRPNHJ-DZGCQCFKSA-N 1 0 331.416 3.027 10 5 EGBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003244363 452752808 /nfs/dbraw/zinc/75/28/08/452752808.db2.gz OUTAAJRTTHDXBU-IAQYHMDHSA-N 1 0 349.412 3.205 10 5 EGBERO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000600711437 460575446 /nfs/dbraw/zinc/57/54/46/460575446.db2.gz UEFGVPBVSZLFHQ-OTWHNJEPSA-N 1 0 325.412 3.414 10 5 EGBERO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000025820403 453787032 /nfs/dbraw/zinc/78/70/32/453787032.db2.gz UQWFEHXVFCYSDA-UHFFFAOYSA-N 1 0 327.384 3.444 10 5 EGBERO O=[N+]([O-])c1cc(CN2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000054173152 453915014 /nfs/dbraw/zinc/91/50/14/453915014.db2.gz KKDNXJWMUIGEPH-UHFFFAOYSA-N 1 0 331.441 3.017 10 5 EGBERO COc1ccc([C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000068838148 454058762 /nfs/dbraw/zinc/05/87/62/454058762.db2.gz MRDXNLFSCNIQHC-QGZVFWFLSA-N 1 0 333.363 3.457 10 5 EGBERO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000068904436 454064175 /nfs/dbraw/zinc/06/41/75/454064175.db2.gz CITHNNJAUQNDJC-UHFFFAOYSA-N 1 0 339.823 3.243 10 5 EGBERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000119670439 454211969 /nfs/dbraw/zinc/21/19/69/454211969.db2.gz STXYHAWSEFWUPQ-LBPRGKRZSA-N 1 0 327.384 3.107 10 5 EGBERO Cc1sc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000078241935 454215042 /nfs/dbraw/zinc/21/50/42/454215042.db2.gz UIVAAMXXRVDSHF-UHFFFAOYSA-N 1 0 339.461 3.349 10 5 EGBERO Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC000090529701 454317316 /nfs/dbraw/zinc/31/73/16/454317316.db2.gz BLCITVORFGQOFI-YVEFUNNKSA-N 1 0 328.416 3.168 10 5 EGBERO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551282 454320008 /nfs/dbraw/zinc/32/00/08/454320008.db2.gz RHEBNGXLOYIRBV-CJNGLKHVSA-N 1 0 345.399 3.131 10 5 EGBERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090559185 454321155 /nfs/dbraw/zinc/32/11/55/454321155.db2.gz KOGUGDFUFONUBO-BBRMVZONSA-N 1 0 336.436 3.075 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000072665331 454325005 /nfs/dbraw/zinc/32/50/05/454325005.db2.gz QKFGKMDIJLAJIH-INIZCTEOSA-N 1 0 349.394 3.224 10 5 EGBERO CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090603154 454326518 /nfs/dbraw/zinc/32/65/18/454326518.db2.gz NJNKMSVRIKXMHE-INMHGKMJSA-N 1 0 348.447 3.218 10 5 EGBERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000092696191 454612548 /nfs/dbraw/zinc/61/25/48/454612548.db2.gz FPOMNHYLXBUEIL-UHFFFAOYSA-N 1 0 341.415 3.128 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1O ZINC000092788902 454633807 /nfs/dbraw/zinc/63/38/07/454633807.db2.gz YNRSMYCHAKIHLB-LLVKDONJSA-N 1 0 349.412 3.145 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137261116 454774088 /nfs/dbraw/zinc/77/40/88/454774088.db2.gz DMXOJFOHZMYMOY-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO C[NH+](C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2Cl)ccc1F ZINC000265549678 455341111 /nfs/dbraw/zinc/34/11/11/455341111.db2.gz YICBSIAHGCKMLT-UHFFFAOYSA-N 1 0 338.770 3.456 10 5 EGBERO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000266708470 455439918 /nfs/dbraw/zinc/43/99/18/455439918.db2.gz HBDHENDUOJCEJB-CVEARBPZSA-N 1 0 333.432 3.051 10 5 EGBERO CCn1cc(C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cn1 ZINC000160469903 455463480 /nfs/dbraw/zinc/46/34/80/455463480.db2.gz RUGJZCRPESTFGB-UHFFFAOYSA-N 1 0 344.415 3.199 10 5 EGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277830025 455678933 /nfs/dbraw/zinc/67/89/33/455678933.db2.gz RLUWNUZESAQHBC-SUNKGSAMSA-N 1 0 332.322 3.291 10 5 EGBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248082550 455679472 /nfs/dbraw/zinc/67/94/72/455679472.db2.gz SAZHFAFTOFTTFD-AEFFLSMTSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000270651307 456005621 /nfs/dbraw/zinc/00/56/21/456005621.db2.gz MOJGTDRLNBBJPR-FUHWJXTLSA-N 1 0 339.395 3.078 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216162200 456027550 /nfs/dbraw/zinc/02/75/50/456027550.db2.gz GNIMWMJQZXQFBB-CQSZACIVSA-N 1 0 327.384 3.444 10 5 EGBERO O=[N+]([O-])c1ccc2nc(N3CCC(C[NH+]4CCCC4)CC3)ccc2c1 ZINC000301363289 456099508 /nfs/dbraw/zinc/09/95/08/456099508.db2.gz MSGFUZULZHWNGH-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000340153641 456285513 /nfs/dbraw/zinc/28/55/13/456285513.db2.gz TWRGAOCUXTVGML-HNNXBMFYSA-N 1 0 340.427 3.398 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309367 456345422 /nfs/dbraw/zinc/34/54/22/456345422.db2.gz ZELMMOOYQIXXDR-FAELENHSSA-N 1 0 336.407 3.495 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000340285873 456362230 /nfs/dbraw/zinc/36/22/30/456362230.db2.gz MFSIWVIHIFFWDT-SJLPKXTDSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@](CO)([NH2+]Cc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601148419 460730646 /nfs/dbraw/zinc/73/06/46/460730646.db2.gz BMDBLNMHJTXXEB-LJQANCHMSA-N 1 0 326.396 3.470 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@H]1n1cccn1 ZINC000340537218 456517811 /nfs/dbraw/zinc/51/78/11/456517811.db2.gz LIBPIZXKMRRRNM-AETAKHFUSA-N 1 0 344.415 3.169 10 5 EGBERO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000348225034 456546900 /nfs/dbraw/zinc/54/69/00/456546900.db2.gz LRHPCDHJBARGBO-NVXWUHKLSA-N 1 0 340.427 3.479 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291718786 456731964 /nfs/dbraw/zinc/73/19/64/456731964.db2.gz IYQYXKGPSQLWGO-QGZVFWFLSA-N 1 0 337.395 3.363 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000343627605 456754253 /nfs/dbraw/zinc/75/42/53/456754253.db2.gz MGQQXCARQIEYKD-LJQANCHMSA-N 1 0 338.411 3.092 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000349964225 457124801 /nfs/dbraw/zinc/12/48/01/457124801.db2.gz DVZARPBELVVFTJ-SFHVURJKSA-N 1 0 339.395 3.141 10 5 EGBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339677326 457207673 /nfs/dbraw/zinc/20/76/73/457207673.db2.gz HFPULTGZEDVIMQ-LBPRGKRZSA-N 1 0 347.337 3.136 10 5 EGBERO COc1cc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000352524578 457438122 /nfs/dbraw/zinc/43/81/22/457438122.db2.gz CHJFBMJPVOYMOX-ZDUSSCGKSA-N 1 0 330.384 3.372 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012514 457494668 /nfs/dbraw/zinc/49/46/68/457494668.db2.gz DNAXGAIZADQECV-RHSMWYFYSA-N 1 0 326.400 3.312 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000401189490 457523828 /nfs/dbraw/zinc/52/38/28/457523828.db2.gz QAERMQNYGLQPMJ-AWEZNQCLSA-N 1 0 330.363 3.063 10 5 EGBERO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC(C)(C)C1 ZINC000412040460 458059432 /nfs/dbraw/zinc/05/94/32/458059432.db2.gz REMAZEIEFMTQKD-UHFFFAOYSA-N 1 0 347.415 3.403 10 5 EGBERO C[C@@H]1CC(C)(C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000412049871 458068195 /nfs/dbraw/zinc/06/81/95/458068195.db2.gz XDEYRZJJJIFTIU-GFCCVEGCSA-N 1 0 333.388 3.013 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428749937 458205313 /nfs/dbraw/zinc/20/53/13/458205313.db2.gz OPVSSZCRTIKFLM-CABCVRRESA-N 1 0 326.343 3.471 10 5 EGBERO CCc1cnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447529210 458305554 /nfs/dbraw/zinc/30/55/54/458305554.db2.gz KWCRQNUHYHMNIQ-UONOGXRCSA-N 1 0 349.460 3.126 10 5 EGBERO C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000372911415 458347057 /nfs/dbraw/zinc/34/70/57/458347057.db2.gz LWQSWJRMAZYPFU-CYBMUJFWSA-N 1 0 340.383 3.185 10 5 EGBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000377160694 458479226 /nfs/dbraw/zinc/47/92/26/458479226.db2.gz BVJYFQAHSOOXOI-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO COc1cc(C[NH2+][C@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000424181916 458578554 /nfs/dbraw/zinc/57/85/54/458578554.db2.gz FBOMWZRRYXPGFA-ZDUSSCGKSA-N 1 0 346.305 3.187 10 5 EGBERO CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474217063 458869736 /nfs/dbraw/zinc/86/97/36/458869736.db2.gz WOWOZULBNCXNQP-HXUWFJFHSA-N 1 0 339.439 3.344 10 5 EGBERO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509725 459068432 /nfs/dbraw/zinc/06/84/32/459068432.db2.gz LPZGYYARSTXKBG-ZTENYAIWSA-N 1 0 347.459 3.060 10 5 EGBERO COc1c(C)cccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594513043 459070832 /nfs/dbraw/zinc/07/08/32/459070832.db2.gz ZQDNWKKSZBPAEN-JKSUJKDBSA-N 1 0 344.415 3.382 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC(C[NH+]4CCCCC4)CC3)nc2c1 ZINC000590687721 459182955 /nfs/dbraw/zinc/18/29/55/459182955.db2.gz BWPWSAZHDJIENZ-UHFFFAOYSA-N 1 0 343.431 3.173 10 5 EGBERO Cn1ncc(C2CCC2)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594983351 459204495 /nfs/dbraw/zinc/20/44/95/459204495.db2.gz KLRYTPOJNXLIFH-UITAMQMPSA-N 1 0 326.400 3.399 10 5 EGBERO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000594982930 459205637 /nfs/dbraw/zinc/20/56/37/459205637.db2.gz CVDORMYGNAMWEA-ZWNOBZJWSA-N 1 0 330.331 3.243 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000595006339 459212406 /nfs/dbraw/zinc/21/24/06/459212406.db2.gz IYYBCSKFEXCDCQ-TZMCWYRMSA-N 1 0 344.367 3.094 10 5 EGBERO CC[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595062921 459233354 /nfs/dbraw/zinc/23/33/54/459233354.db2.gz BDJRLURWQYHSBD-IRXDYDNUSA-N 1 0 339.395 3.223 10 5 EGBERO Cc1cncc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595091912 459242378 /nfs/dbraw/zinc/24/23/78/459242378.db2.gz UHPTYJMBIZBHBO-GOSISDBHSA-N 1 0 326.400 3.293 10 5 EGBERO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595097034 459244850 /nfs/dbraw/zinc/24/48/50/459244850.db2.gz GLFQBZYWHIQEQT-MRXNPFEDSA-N 1 0 326.400 3.373 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595101278 459245870 /nfs/dbraw/zinc/24/58/70/459245870.db2.gz ZJJDIFPHPRNJFH-CQSZACIVSA-N 1 0 333.432 3.380 10 5 EGBERO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482008401 459285366 /nfs/dbraw/zinc/28/53/66/459285366.db2.gz MFRYBHVUSNVVJX-RDJZCZTQSA-N 1 0 340.427 3.355 10 5 EGBERO C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000582539417 459381982 /nfs/dbraw/zinc/38/19/82/459381982.db2.gz SZGVMTJLYXWKQQ-QLFBSQMISA-N 1 0 333.432 3.077 10 5 EGBERO C[C@H]1CC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569276846 459424839 /nfs/dbraw/zinc/42/48/39/459424839.db2.gz HUVIXYHDYVPNQI-QPUJVOFHSA-N 1 0 346.168 3.088 10 5 EGBERO CC(=O)c1ccc(OCc2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000596072149 459508711 /nfs/dbraw/zinc/50/87/11/459508711.db2.gz XOCDUAFBFGCVRQ-UHFFFAOYSA-N 1 0 326.352 3.022 10 5 EGBERO COc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091623 459517664 /nfs/dbraw/zinc/51/76/64/459517664.db2.gz AULVOMMBUWQCAA-NSHDSACASA-N 1 0 327.812 3.399 10 5 EGBERO CC[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000592133591 459532716 /nfs/dbraw/zinc/53/27/16/459532716.db2.gz YHTDJJOELGOPLJ-BRWVUGGUSA-N 1 0 336.432 3.125 10 5 EGBERO CC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596143224 459535666 /nfs/dbraw/zinc/53/56/66/459535666.db2.gz QTMFGPKBTFUUHQ-NSHDSACASA-N 1 0 327.812 3.035 10 5 EGBERO COc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000596243038 459573299 /nfs/dbraw/zinc/57/32/99/459573299.db2.gz FBTHJSZENFPRTG-MRXNPFEDSA-N 1 0 339.823 3.179 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314446 459593451 /nfs/dbraw/zinc/59/34/51/459593451.db2.gz DZPZYAUHPXZCNA-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000593189671 459802092 /nfs/dbraw/zinc/80/20/92/459802092.db2.gz XQNDRVXBGGOQLS-WOPDTQHZSA-N 1 0 339.823 3.110 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnn4c3CCC4)C2)cc1 ZINC000597137348 459850362 /nfs/dbraw/zinc/85/03/62/459850362.db2.gz FWFHKUYCJPSNGM-OAHLLOKOSA-N 1 0 326.400 3.117 10 5 EGBERO C[C@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)C1O ZINC000597203948 459876939 /nfs/dbraw/zinc/87/69/39/459876939.db2.gz AVBURLHQDKGCCL-STQMWFEESA-N 1 0 330.384 3.304 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593463120 459896865 /nfs/dbraw/zinc/89/68/65/459896865.db2.gz MNQUBHMKFVFRPB-OAHLLOKOSA-N 1 0 326.400 3.208 10 5 EGBERO CC1(C)Cc2n[nH]cc2CN(CC=Cc2ccccc2[N+](=O)[O-])C1 ZINC000597258985 459898611 /nfs/dbraw/zinc/89/86/11/459898611.db2.gz VGDDLLXJIPLALZ-ALCCZGGFSA-N 1 0 326.400 3.416 10 5 EGBERO COc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1O ZINC000588933602 460007782 /nfs/dbraw/zinc/00/77/82/460007782.db2.gz AWFCXHIABMTJEH-UHFFFAOYSA-N 1 0 341.367 3.123 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593882350 460008996 /nfs/dbraw/zinc/00/89/96/460008996.db2.gz IPCDNFJKOAJQLD-UHFFFAOYSA-N 1 0 339.823 3.115 10 5 EGBERO O=[N+]([O-])c1cc(NCCCC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000589108180 460030957 /nfs/dbraw/zinc/03/09/57/460030957.db2.gz PNXDLWQFXOAUDM-UHFFFAOYSA-N 1 0 347.337 3.138 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000589241877 460059979 /nfs/dbraw/zinc/05/99/79/460059979.db2.gz FBTKQDNPADSYKZ-ZDUSSCGKSA-N 1 0 343.383 3.283 10 5 EGBERO COc1cncc(/C=C/CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000576395720 460133005 /nfs/dbraw/zinc/13/30/05/460133005.db2.gz NICBFOGWOYANRV-DUXPYHPUSA-N 1 0 339.395 3.460 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000599056769 460143319 /nfs/dbraw/zinc/14/33/19/460143319.db2.gz NNLGUMUHLKZCQR-FZKQIMNGSA-N 1 0 328.368 3.476 10 5 EGBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553478 460273665 /nfs/dbraw/zinc/27/36/65/460273665.db2.gz WPFPBYGJQWCPTA-MCIONIFRSA-N 1 0 349.456 3.200 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599604055 460285835 /nfs/dbraw/zinc/28/58/35/460285835.db2.gz JZGJVEVNADUPHV-HNNXBMFYSA-N 1 0 346.431 3.298 10 5 EGBERO Cc1cccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)c1 ZINC000599631634 460292937 /nfs/dbraw/zinc/29/29/37/460292937.db2.gz YUWGVGNLBTWMEW-SFHVURJKSA-N 1 0 329.400 3.052 10 5 EGBERO NC(=O)c1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611395794 460355099 /nfs/dbraw/zinc/35/50/99/460355099.db2.gz UMGISAKIFUTBFY-KRWDZBQOSA-N 1 0 339.395 3.325 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000611712921 460436253 /nfs/dbraw/zinc/43/62/53/460436253.db2.gz STBUTAOKNHBKRS-ROUUACIJSA-N 1 0 349.394 3.395 10 5 EGBERO O=C(CC[NH+]1CC(Cc2cccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000601966295 460965633 /nfs/dbraw/zinc/96/56/33/460965633.db2.gz YTTLNGZFNRSQJZ-UHFFFAOYSA-N 1 0 345.424 3.159 10 5 EGBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187917001 533770240 /nfs/dbraw/zinc/77/02/40/533770240.db2.gz REEIZEKJCPSAGZ-UGSOOPFHSA-N 1 0 345.399 3.233 10 5 EGBERO Cc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000190289764 533961851 /nfs/dbraw/zinc/96/18/51/533961851.db2.gz XHGFJOMBZXQZLY-HOTGVXAUSA-N 1 0 332.425 3.173 10 5 EGBERO CC[NH+](CC)CC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351854266 535496881 /nfs/dbraw/zinc/49/68/81/535496881.db2.gz NUHBLRPYCPMVQH-UHFFFAOYSA-N 1 0 341.402 3.427 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000741747697 576716439 /nfs/dbraw/zinc/71/64/39/576716439.db2.gz YKPYZZBLYDNFCB-CQSZACIVSA-N 1 0 347.390 3.327 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000741750516 576716803 /nfs/dbraw/zinc/71/68/03/576716803.db2.gz WCUNFIDMXGWSST-FROQITRMSA-N 1 0 349.431 3.169 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000871362362 1296371649 /nfs/dbraw/zinc/37/16/49/1296371649.db2.gz UCXQECAITJCOFY-OGFXQLCQSA-N 1 0 345.443 3.077 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H]1CCOC1=O ZINC000872110653 1296736212 /nfs/dbraw/zinc/73/62/12/1296736212.db2.gz LSQHADCZFREKBF-VXGBXAGGSA-N 1 0 338.429 3.311 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H]1CCOC1=O ZINC000872110652 1296736249 /nfs/dbraw/zinc/73/62/49/1296736249.db2.gz LSQHADCZFREKBF-RYUDHWBXSA-N 1 0 338.429 3.311 10 5 EGBERO CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000872113667 1296739528 /nfs/dbraw/zinc/73/95/28/1296739528.db2.gz QLJRXSVCKJMYFT-MLGOLLRUSA-N 1 0 332.400 3.250 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872282039 1296893471 /nfs/dbraw/zinc/89/34/71/1296893471.db2.gz ZSVQCRJNWYVGIT-QZTJIDSGSA-N 1 0 334.416 3.052 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@]34CCC[C@H]3OCC4)co2)cc1 ZINC000872315072 1296911111 /nfs/dbraw/zinc/91/11/11/1296911111.db2.gz LIKYPYLUSBQDTP-WBVHZDCISA-N 1 0 329.356 3.051 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668451 1300665833 /nfs/dbraw/zinc/66/58/33/1300665833.db2.gz RODKCLPVMKKJBS-VXGBXAGGSA-N 1 0 330.306 3.460 10 5 EGBERO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000880182960 1300970214 /nfs/dbraw/zinc/97/02/14/1300970214.db2.gz GYUXRWIHEHLGIB-ZBFHGGJFSA-N 1 0 338.791 3.166 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000881829013 1301732143 /nfs/dbraw/zinc/73/21/43/1301732143.db2.gz DWYHFBOZIRDDCG-UHFFFAOYSA-N 1 0 333.432 3.354 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)Cc2ccccc2F)c1 ZINC000886232063 1303406309 /nfs/dbraw/zinc/40/63/09/1303406309.db2.gz PBFUNMIPGOEPGX-CQSZACIVSA-N 1 0 338.766 3.081 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2F)c(Cl)c1 ZINC000886234669 1303407258 /nfs/dbraw/zinc/40/72/58/1303407258.db2.gz SKBMZHQIECARQM-CQSZACIVSA-N 1 0 338.766 3.081 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)O2)CO1 ZINC000886333441 1303437542 /nfs/dbraw/zinc/43/75/42/1303437542.db2.gz ILDRILNNMQQNDL-DIOULYMOSA-N 1 0 340.807 3.064 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827145 1304599012 /nfs/dbraw/zinc/59/90/12/1304599012.db2.gz CGBPYNRVHWFGMB-YPKPFQOOSA-N 1 0 343.427 3.131 10 5 EGBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000893023714 1305663816 /nfs/dbraw/zinc/66/38/16/1305663816.db2.gz HFSSJQKNCMOBSZ-OLZOCXBDSA-N 1 0 337.395 3.069 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)O2)CO1 ZINC000895819507 1309534446 /nfs/dbraw/zinc/53/44/46/1309534446.db2.gz KKLJHCBQMJQATN-AXAPSJFSSA-N 1 0 340.807 3.064 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000899563840 1317092249 /nfs/dbraw/zinc/09/22/49/1317092249.db2.gz NRVOLQYFGBAZIW-UHFFFAOYSA-N 1 0 337.445 3.055 10 5 EGBERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000930234595 1328818138 /nfs/dbraw/zinc/81/81/38/1328818138.db2.gz DKHAKOMYQJRTPY-KWQFWETISA-N 1 0 342.264 3.194 10 5 EGBERO Cn1nc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000859323832 1328967928 /nfs/dbraw/zinc/96/79/28/1328967928.db2.gz DOVMLPLVKQJMIU-ZDUSSCGKSA-N 1 0 334.807 3.361 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922754921 1322610914 /nfs/dbraw/zinc/61/09/14/1322610914.db2.gz PDKKWOXHZKODNP-HMVFGEFZSA-N 1 0 345.365 3.470 10 5 EGBERO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000922873980 1322638231 /nfs/dbraw/zinc/63/82/31/1322638231.db2.gz YUMDUFYCVCUIKT-UONOGXRCSA-N 1 0 330.388 3.275 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000923006402 1322673184 /nfs/dbraw/zinc/67/31/84/1322673184.db2.gz HCTCOZKWOPHGFQ-MSEWRSJXSA-N 1 0 340.423 3.394 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000924373674 1323000598 /nfs/dbraw/zinc/00/05/98/1323000598.db2.gz OEKHKCHVYHEWMN-UHFFFAOYSA-N 1 0 349.406 3.133 10 5 EGBERO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnn1CC1CCC1 ZINC000925153206 1325067788 /nfs/dbraw/zinc/06/77/88/1325067788.db2.gz KPLKUWCUKBAEQK-AWEZNQCLSA-N 1 0 328.416 3.485 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927012480 1327819962 /nfs/dbraw/zinc/81/99/62/1327819962.db2.gz HUNGFDBCUHXWQT-WBVHZDCISA-N 1 0 348.443 3.234 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927286711 1327957766 /nfs/dbraw/zinc/95/77/66/1327957766.db2.gz RJGWBBDMMKQKCF-UHFFFAOYSA-N 1 0 346.431 3.432 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)o1 ZINC000865691648 1329729724 /nfs/dbraw/zinc/72/97/24/1329729724.db2.gz CXQYZMCIHQZRCU-HJSWUDGYSA-N 1 0 340.379 3.368 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000865786210 1329738322 /nfs/dbraw/zinc/73/83/22/1329738322.db2.gz FSKODAGBORQXHZ-CQSZACIVSA-N 1 0 327.384 3.410 10 5 EGBERO CCC1([NH+](C)C)CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000866059709 1330061151 /nfs/dbraw/zinc/06/11/51/1330061151.db2.gz SBDXAAUPWFDOOM-UHFFFAOYSA-N 1 0 325.384 3.053 10 5 EGBERO C[NH+](C)C1(C)CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000866148513 1330070989 /nfs/dbraw/zinc/07/09/89/1330070989.db2.gz FXJHJUAGAILNGD-UHFFFAOYSA-N 1 0 329.404 3.213 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC[C@H]21 ZINC000866207743 1330078739 /nfs/dbraw/zinc/07/87/39/1330078739.db2.gz JOMNWQWQJPQFRH-DZGCQCFKSA-N 1 0 333.432 3.303 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866209728 1330079099 /nfs/dbraw/zinc/07/90/99/1330079099.db2.gz VLPHAIOLZQKIFE-MFKMUULPSA-N 1 0 329.322 3.144 10 5 EGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866273511 1330089237 /nfs/dbraw/zinc/08/92/37/1330089237.db2.gz NZHZSCUCYJATFD-VXGBXAGGSA-N 1 0 348.422 3.236 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000866383072 1330104465 /nfs/dbraw/zinc/10/44/65/1330104465.db2.gz DSCOHXXYEKCBOR-XIKOKIGWSA-N 1 0 336.407 3.460 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCSC1 ZINC000866401939 1330107179 /nfs/dbraw/zinc/10/71/79/1330107179.db2.gz GPMDTRKFGNINDX-STQMWFEESA-N 1 0 337.445 3.045 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CCCS3)CC2)cc1 ZINC000866479842 1330117428 /nfs/dbraw/zinc/11/74/28/1330117428.db2.gz ZVGWKEJRZBHVPT-KRWDZBQOSA-N 1 0 335.473 3.439 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000866706113 1330143432 /nfs/dbraw/zinc/14/34/32/1330143432.db2.gz MCSCLNBSTLCIKT-INIZCTEOSA-N 1 0 325.840 3.445 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000867989887 1330237327 /nfs/dbraw/zinc/23/73/27/1330237327.db2.gz QPMAKYCNODSVMU-INIZCTEOSA-N 1 0 341.367 3.042 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000868655768 1330306734 /nfs/dbraw/zinc/30/67/34/1330306734.db2.gz UQUXJHMYYCLCOK-AWEZNQCLSA-N 1 0 348.447 3.172 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001323325643 1387339431 /nfs/dbraw/zinc/33/94/31/1387339431.db2.gz YDCZLAUKGCSKOY-GJZGRUSLSA-N 1 0 347.394 3.116 10 5 EGBERO CC(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001191056820 1367413240 /nfs/dbraw/zinc/41/32/40/1367413240.db2.gz HRMBDBPTTDNOMG-HNNXBMFYSA-N 1 0 345.443 3.242 10 5 EGBERO Cc1nc([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001197710044 1368877100 /nfs/dbraw/zinc/87/71/00/1368877100.db2.gz CTWUQRHYUBMHMS-OAHLLOKOSA-N 1 0 330.388 3.151 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001187686066 1388142347 /nfs/dbraw/zinc/14/23/47/1388142347.db2.gz IQBVNOQMQVXFMF-KRWDZBQOSA-N 1 0 334.379 3.294 10 5 EGBERO C[NH+](C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC001135268274 1377012263 /nfs/dbraw/zinc/01/22/63/1377012263.db2.gz HNQIJOBBMBWOCT-UHFFFAOYSA-N 1 0 339.823 3.243 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001268465933 1377509466 /nfs/dbraw/zinc/50/94/66/1377509466.db2.gz BPPIQJUZEYBHCU-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1)c1cccc([N+](=O)[O-])c1 ZINC001137927972 1377646454 /nfs/dbraw/zinc/64/64/54/1377646454.db2.gz ZFXJDHFZXGGUNR-ZDRJDWQYSA-N 1 0 345.443 3.283 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001144035582 1378673542 /nfs/dbraw/zinc/67/35/42/1378673542.db2.gz OKYCBNHSXSTHGQ-HNNXBMFYSA-N 1 0 333.432 3.014 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001144035583 1378673546 /nfs/dbraw/zinc/67/35/46/1378673546.db2.gz OKYCBNHSXSTHGQ-OAHLLOKOSA-N 1 0 333.432 3.014 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC001327660286 1388574771 /nfs/dbraw/zinc/57/47/71/1388574771.db2.gz GTSJILMXATYYEV-CQSZACIVSA-N 1 0 332.379 3.487 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001289678722 1382007855 /nfs/dbraw/zinc/00/78/55/1382007855.db2.gz IWDYQELLAFVWQE-MRXNPFEDSA-N 1 0 347.459 3.012 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001294471650 1382462351 /nfs/dbraw/zinc/46/23/51/1382462351.db2.gz BZGVCBFYNXQHRH-CJNGLKHVSA-N 1 0 333.432 3.067 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001162163088 1382645019 /nfs/dbraw/zinc/64/50/19/1382645019.db2.gz VIBCDNGUVNGRNF-AWEZNQCLSA-N 1 0 349.431 3.448 10 5 EGBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@H+](C)C1CCCCC1 ZINC001162273132 1382718849 /nfs/dbraw/zinc/71/88/49/1382718849.db2.gz MVCMHFPSYLWROK-UHFFFAOYSA-N 1 0 349.357 3.024 10 5 EGBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001298190598 1383380288 /nfs/dbraw/zinc/38/02/88/1383380288.db2.gz AATRLKGAVMMAAJ-SUMWQHHRSA-N 1 0 346.431 3.371 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC001167005878 1383515469 /nfs/dbraw/zinc/51/54/69/1383515469.db2.gz QEOZDKUKWDVUGE-UHFFFAOYSA-N 1 0 329.375 3.099 10 5 EGBERO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCC[NH+]1CCCCC1 ZINC001306931688 1383922832 /nfs/dbraw/zinc/92/28/32/1383922832.db2.gz YZPOLUGITJEYIM-UHFFFAOYSA-N 1 0 334.807 3.116 10 5 EGBERO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001307971671 1384066471 /nfs/dbraw/zinc/06/64/71/1384066471.db2.gz CVPDYLXFHHOBIX-GOSISDBHSA-N 1 0 328.416 3.197 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001308159927 1384102780 /nfs/dbraw/zinc/10/27/80/1384102780.db2.gz LTWQHSNMAQISAH-ROUUACIJSA-N 1 0 334.416 3.397 10 5 EGBERO COC(=O)[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@H]1CCCC2 ZINC001171607850 1384578716 /nfs/dbraw/zinc/57/87/16/1384578716.db2.gz KHTVCHPTPPWCQJ-CRAIPNDOSA-N 1 0 332.400 3.068 10 5 EGBERO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080692 1386497845 /nfs/dbraw/zinc/49/78/45/1386497845.db2.gz KKPIVQNWZKEJOM-LIRRHRJNSA-N 1 0 344.411 3.200 10 5 EGBERO Cc1coc(C)c1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001322493180 1387195186 /nfs/dbraw/zinc/19/51/86/1387195186.db2.gz MJYZGGIEFHLHIC-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO C[C@H]1CC[C@H](C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001322797470 1387239578 /nfs/dbraw/zinc/23/95/78/1387239578.db2.gz WWROIWJAVNFSLW-JCNLHEQBSA-N 1 0 347.459 3.359 10 5 EGBERO CC(=O)c1cc(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001336804143 1389172486 /nfs/dbraw/zinc/17/24/86/1389172486.db2.gz CADXIZHIGRJPHB-KDURUIRLSA-N 1 0 343.427 3.110 10 5 EGBERO CC[N@H+](CCCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479853283 1392433429 /nfs/dbraw/zinc/43/34/29/1392433429.db2.gz IHCUDYLNMKIXKQ-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC1(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC=CC1 ZINC001481184536 1393144322 /nfs/dbraw/zinc/14/43/22/1393144322.db2.gz JVQFDGWWPSKYBK-UHFFFAOYSA-N 1 0 343.427 3.032 10 5 EGBERO CC[N@H+](CCNC(=O)/C=C/C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691011879 1404926671 /nfs/dbraw/zinc/92/66/71/1404926671.db2.gz KXUJFHJQNILQFW-ZHACJKMWSA-N 1 0 333.432 3.135 10 5 EGBERO CC(C)(C)/C=C\C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001700144427 1413567350 /nfs/dbraw/zinc/56/73/50/1413567350.db2.gz KCZWQUINKPKYRD-XFXZXTDPSA-N 1 0 345.443 3.326 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/C(C)(C)C ZINC001732766550 1428957958 /nfs/dbraw/zinc/95/79/58/1428957958.db2.gz FHTFOIJVFVNRMQ-ZHACJKMWSA-N 1 0 333.432 3.135 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1(C)CCCC1 ZINC001715513772 1420198513 /nfs/dbraw/zinc/19/85/13/1420198513.db2.gz ACYWLYWMTXZKIU-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCCCCC1 ZINC001716286827 1420594491 /nfs/dbraw/zinc/59/44/91/1420594491.db2.gz FHPFKXDOXXVHMN-WAYWQWQTSA-N 1 0 343.427 3.247 10 5 EGBERO C/C(=C\C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CC1 ZINC001724784615 1425150713 /nfs/dbraw/zinc/15/07/13/1425150713.db2.gz XBKDRGNYQVXVOU-GXDHUFHOSA-N 1 0 343.427 3.080 10 5 EGBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC1CC(C)(C)C1 ZINC001731947136 1428179083 /nfs/dbraw/zinc/17/90/83/1428179083.db2.gz VGOONDCGMBRJHQ-UHFFFAOYSA-N 1 0 339.461 3.031 10 5 EGBERO CC(C)=C(C)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001733720730 1429941725 /nfs/dbraw/zinc/94/17/25/1429941725.db2.gz MXUMXCKLIJKVQK-UHFFFAOYSA-N 1 0 345.443 3.470 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000368315428 168341572 /nfs/dbraw/zinc/34/15/72/168341572.db2.gz JQRNRYDEQRGBGB-CCEZHUSRSA-N 1 0 343.427 3.085 10 5 EGBERO Cn1nc2c(c1C[NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000361001000 282809414 /nfs/dbraw/zinc/80/94/14/282809414.db2.gz DHBQGRDWBQJOEA-KRWDZBQOSA-N 1 0 340.427 3.374 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000183422042 235063837 /nfs/dbraw/zinc/06/38/37/235063837.db2.gz MLUPXVAZXIFQJU-KRWDZBQOSA-N 1 0 329.400 3.423 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803202 204161387 /nfs/dbraw/zinc/16/13/87/204161387.db2.gz OZMHSMRKUCHEEV-WMLDXEAASA-N 1 0 341.415 3.047 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120035896 204702740 /nfs/dbraw/zinc/70/27/40/204702740.db2.gz NFYNJXZSEYDHNC-LSDHHAIUSA-N 1 0 346.431 3.302 10 5 EGBERO COCC[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180557405 285182388 /nfs/dbraw/zinc/18/23/88/285182388.db2.gz IGKMXODQWQLZJU-MOPGFXCFSA-N 1 0 344.411 3.061 10 5 EGBERO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000366597001 141517547 /nfs/dbraw/zinc/51/75/47/141517547.db2.gz UAFUMCIIGOTQMO-YXJHDRRASA-N 1 0 334.416 3.234 10 5 EGBERO Cc1c(C[N@@H+]2CCCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000183799629 144079802 /nfs/dbraw/zinc/07/98/02/144079802.db2.gz BWNFETYNLZDMNG-UHFFFAOYSA-N 1 0 326.400 3.011 10 5 EGBERO CO[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000344791950 144225390 /nfs/dbraw/zinc/22/53/90/144225390.db2.gz JYQVLLPEDWENBQ-NSHDSACASA-N 1 0 326.702 3.305 10 5 EGBERO O=[N+]([O-])c1ccc(CN2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000193835080 153309477 /nfs/dbraw/zinc/30/94/77/153309477.db2.gz RUQBVQKXIFUUEK-HNNXBMFYSA-N 1 0 342.355 3.189 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195340536 153396625 /nfs/dbraw/zinc/39/66/25/153396625.db2.gz SWPNRWQLHVISHB-CYBMUJFWSA-N 1 0 333.413 3.310 10 5 EGBERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455396 154360666 /nfs/dbraw/zinc/36/06/66/154360666.db2.gz HKJGKQAZEDLUCO-GHMZBOCLSA-N 1 0 345.321 3.196 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000126107648 162293915 /nfs/dbraw/zinc/29/39/15/162293915.db2.gz GNFVFTPUMRXWHV-ZDUSSCGKSA-N 1 0 330.384 3.372 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000345552682 164212826 /nfs/dbraw/zinc/21/28/26/164212826.db2.gz VQAVMSSCAGZXGZ-CYBMUJFWSA-N 1 0 347.396 3.294 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000359084993 167062332 /nfs/dbraw/zinc/06/23/32/167062332.db2.gz SGYKYRPXUFWJBZ-INIZCTEOSA-N 1 0 328.416 3.191 10 5 EGBERO CCOc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1[N+](=O)[O-] ZINC000365205989 168035104 /nfs/dbraw/zinc/03/51/04/168035104.db2.gz WPVWGTMGHMZYST-UHFFFAOYSA-N 1 0 330.388 3.096 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283354670 275715237 /nfs/dbraw/zinc/71/52/37/275715237.db2.gz MRTVYBRUBMPKBG-BPQIPLTHSA-N 1 0 348.443 3.203 10 5 EGBERO C[N@@H+]1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000289459007 276342374 /nfs/dbraw/zinc/34/23/74/276342374.db2.gz VSHVIACDZVNEIH-ROUUACIJSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289681518 276377241 /nfs/dbraw/zinc/37/72/41/276377241.db2.gz NXZDIKQORXBADV-CQSZACIVSA-N 1 0 332.322 3.183 10 5 EGBERO C[N@@H+]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000375548989 277048360 /nfs/dbraw/zinc/04/83/60/277048360.db2.gz OGUUSVFYHRIWMT-UHFFFAOYSA-N 1 0 334.420 3.062 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c(F)c1 ZINC000414563426 309089623 /nfs/dbraw/zinc/08/96/23/309089623.db2.gz BSGQVCIKPNUMIQ-AWEZNQCLSA-N 1 0 333.338 3.242 10 5 EGBERO CC(C)c1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000296813493 308469622 /nfs/dbraw/zinc/46/96/22/308469622.db2.gz CUBYAEJNBOFEDL-UHFFFAOYSA-N 1 0 345.443 3.465 10 5 EGBERO C[NH+](C)CCN(Cc1ccsc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000413449442 309032623 /nfs/dbraw/zinc/03/26/23/309032623.db2.gz JGGSXJVROAAPKM-UHFFFAOYSA-N 1 0 345.428 3.101 10 5 EGBERO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000415701788 309141386 /nfs/dbraw/zinc/14/13/86/309141386.db2.gz OTUKVEKWOVQUBE-LBPRGKRZSA-N 1 0 348.447 3.483 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433079665 309678127 /nfs/dbraw/zinc/67/81/27/309678127.db2.gz XQDKWNUJXBYFLA-ZUEPYMLJSA-N 1 0 347.415 3.100 10 5 EGBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449422001 310060556 /nfs/dbraw/zinc/06/05/56/310060556.db2.gz MHSGEYAKJBEUSZ-YOEHRIQHSA-N 1 0 330.384 3.448 10 5 EGBERO COc1cc(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000449447865 310062848 /nfs/dbraw/zinc/06/28/48/310062848.db2.gz CHYMJBLBDNYPKF-JUIVLLAYSA-N 1 0 344.411 3.256 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000449543879 310070371 /nfs/dbraw/zinc/07/03/71/310070371.db2.gz UXIFAEAFRLFTBV-AEFFLSMTSA-N 1 0 327.384 3.308 10 5 EGBERO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000452095862 310211896 /nfs/dbraw/zinc/21/18/96/310211896.db2.gz WNWZFYIRTGVSTB-AWEZNQCLSA-N 1 0 339.395 3.143 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCC2CCOCC2)n1 ZINC000453227572 310265372 /nfs/dbraw/zinc/26/53/72/310265372.db2.gz FVZMTYFAMSBXGC-CVEARBPZSA-N 1 0 336.436 3.071 10 5 EGBERO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000457700979 310468039 /nfs/dbraw/zinc/46/80/39/310468039.db2.gz HKOVHLNDIXERDG-CYBMUJFWSA-N 1 0 331.416 3.037 10 5 EGBERO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488410769 311063990 /nfs/dbraw/zinc/06/39/90/311063990.db2.gz LYQFUKIPEJTBJW-JKSUJKDBSA-N 1 0 336.432 3.235 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000491999876 311207229 /nfs/dbraw/zinc/20/72/29/311207229.db2.gz NIPAWTJSGMVYRE-OAHLLOKOSA-N 1 0 329.375 3.411 10 5 EGBERO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000539340870 314307224 /nfs/dbraw/zinc/30/72/24/314307224.db2.gz LFJPBTZAJNSUBE-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H]1n1cccn1 ZINC000559925424 315650525 /nfs/dbraw/zinc/65/05/25/315650525.db2.gz YFWATCODSRBHGU-VIBAHUMZSA-N 1 0 344.415 3.169 10 5 EGBERO Cc1cc(N[C@H](CC[NH3+])C(F)F)c(Br)cc1[N+](=O)[O-] ZINC000383267441 324255687 /nfs/dbraw/zinc/25/56/87/324255687.db2.gz HBZQCYZJKNOUKP-MRVPVSSYSA-N 1 0 338.152 3.060 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc4c3OCO4)c2c1 ZINC000579033910 325053277 /nfs/dbraw/zinc/05/32/77/325053277.db2.gz QTPDLEXVDPRQNA-UHFFFAOYSA-N 1 0 339.351 3.137 10 5 EGBERO Cc1cnn(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180801304 455248511 /nfs/dbraw/zinc/24/85/11/455248511.db2.gz BLLCQLFBPGSDMD-IBGZPJMESA-N 1 0 336.395 3.479 10 5 EGBERO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000612194017 460563854 /nfs/dbraw/zinc/56/38/54/460563854.db2.gz GRCQQRNPQKGWLW-MRXNPFEDSA-N 1 0 342.395 3.259 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031825512 453856120 /nfs/dbraw/zinc/85/61/20/453856120.db2.gz GSAPAJRUQZIWPG-LLVKDONJSA-N 1 0 335.429 3.270 10 5 EGBERO CCn1cc([C@H]2CN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000190785699 455382580 /nfs/dbraw/zinc/38/25/80/455382580.db2.gz CUDLIWBPJYOIFG-KBXCAEBGSA-N 1 0 344.415 3.254 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884632 455394246 /nfs/dbraw/zinc/39/42/46/455394246.db2.gz JBYBGKVHQQZZLY-APWZRJJASA-N 1 0 346.427 3.157 10 5 EGBERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000077419265 454104438 /nfs/dbraw/zinc/10/44/38/454104438.db2.gz XPEBWDIAQUOQFS-GJZGRUSLSA-N 1 0 343.427 3.469 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCCc3ccccc31)OCO2 ZINC000058138674 454165079 /nfs/dbraw/zinc/16/50/79/454165079.db2.gz LSPRGPYXTDEOET-HNNXBMFYSA-N 1 0 326.352 3.491 10 5 EGBERO Cc1c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000089640776 454172213 /nfs/dbraw/zinc/17/22/13/454172213.db2.gz MFDQCTYJPGQOQB-ZDUSSCGKSA-N 1 0 347.440 3.435 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000078333003 454233778 /nfs/dbraw/zinc/23/37/78/454233778.db2.gz XLVNDQNDLGWRHR-CJNGLKHVSA-N 1 0 328.416 3.310 10 5 EGBERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511732 454314122 /nfs/dbraw/zinc/31/41/22/454314122.db2.gz NNMSMVMAFSYQGG-LBPRGKRZSA-N 1 0 335.791 3.103 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870845 454576893 /nfs/dbraw/zinc/57/68/93/454576893.db2.gz KHXSOCWBKHYKOI-INIZCTEOSA-N 1 0 328.416 3.499 10 5 EGBERO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000092675872 454607899 /nfs/dbraw/zinc/60/78/99/454607899.db2.gz KRMDFEYDSLKVMH-MRXNPFEDSA-N 1 0 326.400 3.057 10 5 EGBERO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286652 454723998 /nfs/dbraw/zinc/72/39/98/454723998.db2.gz MZBSOHTYFLRTAT-ZFWWWQNUSA-N 1 0 332.404 3.420 10 5 EGBERO Cc1sc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124485733 454739681 /nfs/dbraw/zinc/73/96/81/454739681.db2.gz DESZKVCMUQCOIO-CYBMUJFWSA-N 1 0 339.461 3.063 10 5 EGBERO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000153597501 454811134 /nfs/dbraw/zinc/81/11/34/454811134.db2.gz ZHXAUFTUAOVOTP-UHFFFAOYSA-N 1 0 347.806 3.115 10 5 EGBERO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170625612 454944702 /nfs/dbraw/zinc/94/47/02/454944702.db2.gz QZLOCVMEZRESGY-OAHLLOKOSA-N 1 0 341.415 3.255 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)C1CC1 ZINC000178560812 454962254 /nfs/dbraw/zinc/96/22/54/454962254.db2.gz VSXYMUREPJKDKD-SFHVURJKSA-N 1 0 344.386 3.337 10 5 EGBERO Cc1c(CN(C)Cc2cn(C)nc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000155218165 454975449 /nfs/dbraw/zinc/97/54/49/454975449.db2.gz OBXOFFLFFIOMDN-UHFFFAOYSA-N 1 0 342.321 3.288 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128588906 455070291 /nfs/dbraw/zinc/07/02/91/455070291.db2.gz MWVYXGQUQITGLU-MRXNPFEDSA-N 1 0 343.431 3.222 10 5 EGBERO Cc1c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000171641889 455082063 /nfs/dbraw/zinc/08/20/63/455082063.db2.gz GBPOHENYYJFVHS-OAHLLOKOSA-N 1 0 326.400 3.232 10 5 EGBERO Cc1ccc(C[C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000156890606 455155569 /nfs/dbraw/zinc/15/55/69/455155569.db2.gz KKWIYJOBGZFMFF-OAHLLOKOSA-N 1 0 341.411 3.405 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181536977 455351133 /nfs/dbraw/zinc/35/11/33/455351133.db2.gz SDRMWWMAAHVPDQ-LSDHHAIUSA-N 1 0 345.443 3.286 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1F ZINC000182003319 455414091 /nfs/dbraw/zinc/41/40/91/455414091.db2.gz VPNSXEGIJFPJGM-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246480730 455497416 /nfs/dbraw/zinc/49/74/16/455497416.db2.gz XRSGRPATFAYQGX-IHRRRGAJSA-N 1 0 347.415 3.052 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277729253 455648105 /nfs/dbraw/zinc/64/81/05/455648105.db2.gz GWHUAEBUJFTIOK-CQSZACIVSA-N 1 0 349.434 3.308 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285790958 455917206 /nfs/dbraw/zinc/91/72/06/455917206.db2.gz XUUWFIKHPOLVFY-BDJLRTHQSA-N 1 0 327.375 3.035 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301669404 456180360 /nfs/dbraw/zinc/18/03/60/456180360.db2.gz DRGUMHVBPYTUCR-SNVBAGLBSA-N 1 0 343.225 3.039 10 5 EGBERO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc(N2CCCC2)n1 ZINC000289940514 456189505 /nfs/dbraw/zinc/18/95/05/456189505.db2.gz WTKATZQMYZFREK-UHFFFAOYSA-N 1 0 340.427 3.497 10 5 EGBERO Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302037372 456273198 /nfs/dbraw/zinc/27/31/98/456273198.db2.gz VEMUZXOXHFFXNE-AWEZNQCLSA-N 1 0 326.400 3.126 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000601135074 460724874 /nfs/dbraw/zinc/72/48/74/460724874.db2.gz RHEXDDXTFSNNLE-UHFFFAOYSA-N 1 0 336.411 3.221 10 5 EGBERO Cc1sc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275915103 456350100 /nfs/dbraw/zinc/35/01/00/456350100.db2.gz WAEYIZJNXOAXFH-UHFFFAOYSA-N 1 0 333.413 3.321 10 5 EGBERO Cc1cc(N2CCC[C@H](c3ncc4n3CCCC4)C2)ncc1[N+](=O)[O-] ZINC000281917808 456360593 /nfs/dbraw/zinc/36/05/93/456360593.db2.gz NVQYUIZEWWXCBQ-AWEZNQCLSA-N 1 0 341.415 3.215 10 5 EGBERO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)O1 ZINC000601150440 460733195 /nfs/dbraw/zinc/73/31/95/460733195.db2.gz ZZKJDXHFOCXNKF-UEKVPHQBSA-N 1 0 333.413 3.374 10 5 EGBERO Cc1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000353083617 456478944 /nfs/dbraw/zinc/47/89/44/456478944.db2.gz FZEDWHFBRWENPR-UHFFFAOYSA-N 1 0 327.340 3.484 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cn[nH]c3)s2)cc1 ZINC000353215483 456565392 /nfs/dbraw/zinc/56/53/92/456565392.db2.gz DZGJLFGTMJVCNE-UHFFFAOYSA-N 1 0 328.397 3.379 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000291805253 456762714 /nfs/dbraw/zinc/76/27/14/456762714.db2.gz DZSLEOUZOLQEPY-HNNXBMFYSA-N 1 0 340.427 3.455 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1-c1ccccc1 ZINC000338956445 456876084 /nfs/dbraw/zinc/87/60/84/456876084.db2.gz SUULVORVCLLHLV-UHFFFAOYSA-N 1 0 336.395 3.455 10 5 EGBERO C[C@@H](CCC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342574611 457373377 /nfs/dbraw/zinc/37/33/77/457373377.db2.gz IWBGUHCHCPUKQM-ZDUSSCGKSA-N 1 0 342.461 3.173 10 5 EGBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000425280169 457481276 /nfs/dbraw/zinc/48/12/76/457481276.db2.gz HGLOAEUBGGBDCL-IINYFYTJSA-N 1 0 329.322 3.144 10 5 EGBERO CC[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000361044652 457538137 /nfs/dbraw/zinc/53/81/37/457538137.db2.gz VATMUZPYNXVVCI-INIZCTEOSA-N 1 0 326.400 3.091 10 5 EGBERO CC(C)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000425450156 457558714 /nfs/dbraw/zinc/55/87/14/457558714.db2.gz UTBKJNCRJSRTIU-CYBMUJFWSA-N 1 0 343.221 3.357 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cnc(C3CC3)nc1)CCC2 ZINC000447589358 458317184 /nfs/dbraw/zinc/31/71/84/458317184.db2.gz XPZYOPPSSSIBEE-SFHVURJKSA-N 1 0 338.411 3.472 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000373779870 458601258 /nfs/dbraw/zinc/60/12/58/458601258.db2.gz ZOQARHLZGIFMJI-VQIMIIECSA-N 1 0 342.395 3.471 10 5 EGBERO CC[NH+](CC)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])nc1 ZINC000432054815 458667998 /nfs/dbraw/zinc/66/79/98/458667998.db2.gz WWLIUKQDTWZAJG-UHFFFAOYSA-N 1 0 334.445 3.400 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000475158438 458926745 /nfs/dbraw/zinc/92/67/45/458926745.db2.gz MMQVBEXLMQFKMF-IRXDYDNUSA-N 1 0 345.443 3.288 10 5 EGBERO Cc1ccnc([C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000519619624 458974673 /nfs/dbraw/zinc/97/46/73/458974673.db2.gz ZXLSBHWTAHLLKY-HNNXBMFYSA-N 1 0 327.384 3.167 10 5 EGBERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC000566967701 459029647 /nfs/dbraw/zinc/02/96/47/459029647.db2.gz FHWTVXRLAKPSIF-OOIBXKBGSA-N 1 0 343.427 3.412 10 5 EGBERO CN1C[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053201 459073422 /nfs/dbraw/zinc/07/34/22/459073422.db2.gz YGMMLOQUHDYHJU-CXAGYDPISA-N 1 0 343.452 3.459 10 5 EGBERO COc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590662496 459175208 /nfs/dbraw/zinc/17/52/08/459175208.db2.gz WYVZRVDNBOLESU-UHFFFAOYSA-N 1 0 330.331 3.243 10 5 EGBERO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594959285 459193561 /nfs/dbraw/zinc/19/35/61/459193561.db2.gz BECHHHABMWPHCR-ZDUSSCGKSA-N 1 0 343.374 3.159 10 5 EGBERO CCCn1nccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594959726 459193677 /nfs/dbraw/zinc/19/36/77/459193677.db2.gz XIZVDVZAMLQQKR-UHFFFAOYSA-N 1 0 327.388 3.015 10 5 EGBERO COC[C@@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595024677 459218943 /nfs/dbraw/zinc/21/89/43/459218943.db2.gz CIEYQARNAWECLT-RHSMWYFYSA-N 1 0 336.432 3.386 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595059644 459230990 /nfs/dbraw/zinc/23/09/90/459230990.db2.gz FXIRXJFZDAVZFY-XBVQOTNRSA-N 1 0 336.432 3.120 10 5 EGBERO CO[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595060693 459231516 /nfs/dbraw/zinc/23/15/16/459231516.db2.gz OBRNOAJCQRIAAS-FHLIZLRMSA-N 1 0 334.416 3.003 10 5 EGBERO CO[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595060691 459232257 /nfs/dbraw/zinc/23/22/57/459232257.db2.gz OBRNOAJCQRIAAS-BMGDILEWSA-N 1 0 334.416 3.003 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595068375 459234148 /nfs/dbraw/zinc/23/41/48/459234148.db2.gz LNRMVWRNVKKEJF-HZMBPMFUSA-N 1 0 330.331 3.068 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000533433337 459235070 /nfs/dbraw/zinc/23/50/70/459235070.db2.gz UBRWCVORTIKNCV-UHFFFAOYSA-N 1 0 331.416 3.498 10 5 EGBERO COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595069166 459235439 /nfs/dbraw/zinc/23/54/39/459235439.db2.gz NLRZWGZWDBZNBE-ROUUACIJSA-N 1 0 334.416 3.003 10 5 EGBERO CC1(C)[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1(F)F ZINC000595091855 459242175 /nfs/dbraw/zinc/24/21/75/459242175.db2.gz KARUPQWQMDIOGT-SRVKXCTJSA-N 1 0 328.363 3.156 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595089805 459242338 /nfs/dbraw/zinc/24/23/38/459242338.db2.gz MBDFRSMMBVKTNB-KCXAZCMYSA-N 1 0 336.457 3.359 10 5 EGBERO CCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224310 459258291 /nfs/dbraw/zinc/25/82/91/459258291.db2.gz CNSGPFHHRRMWFI-IAGOWNOFSA-N 1 0 345.443 3.152 10 5 EGBERO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595423160 459296156 /nfs/dbraw/zinc/29/61/56/459296156.db2.gz ZRHZEXUHKZJMAR-QMCVQRASSA-N 1 0 331.416 3.083 10 5 EGBERO CC[C@H]([NH2+]CCc1nc(C(C)=O)c(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000595422375 459296225 /nfs/dbraw/zinc/29/62/25/459296225.db2.gz WWDLPMZMVQTKNF-HNNXBMFYSA-N 1 0 330.388 3.112 10 5 EGBERO COc1cccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000484307476 459410827 /nfs/dbraw/zinc/41/08/27/459410827.db2.gz ZBPLSPURVACZNF-QGZVFWFLSA-N 1 0 341.411 3.152 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595820685 459452000 /nfs/dbraw/zinc/45/20/00/459452000.db2.gz UVRVRWKLPNITHM-HSBZDZAISA-N 1 0 337.395 3.348 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595820686 459452138 /nfs/dbraw/zinc/45/21/38/459452138.db2.gz UVRVRWKLPNITHM-IYXRBSQSSA-N 1 0 337.395 3.348 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595828177 459455929 /nfs/dbraw/zinc/45/59/29/459455929.db2.gz VCYDOYABTWDZEV-PWSUYJOCSA-N 1 0 330.306 3.082 10 5 EGBERO COc1cc(NCCC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596103988 459522417 /nfs/dbraw/zinc/52/24/17/459522417.db2.gz IHGBQVJGNZOWLR-UHFFFAOYSA-N 1 0 327.812 3.401 10 5 EGBERO Cc1ccccc1C1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592139359 459534457 /nfs/dbraw/zinc/53/44/57/459534457.db2.gz AUXMKRNIWJNETQ-UHFFFAOYSA-N 1 0 339.395 3.145 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(Nc3c(Cl)cncc3[N+](=O)[O-])cccc21 ZINC000596215272 459562680 /nfs/dbraw/zinc/56/26/80/459562680.db2.gz TZPDVWJGMRFZMD-CYBMUJFWSA-N 1 0 348.790 3.194 10 5 EGBERO CCOC(=O)c1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307620 459591406 /nfs/dbraw/zinc/59/14/06/459591406.db2.gz NMKBVPLMLCLQEF-CYBMUJFWSA-N 1 0 335.404 3.056 10 5 EGBERO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697065 459625469 /nfs/dbraw/zinc/62/54/69/459625469.db2.gz XBXSURACEQRKPN-KUHUBIRLSA-N 1 0 326.396 3.118 10 5 EGBERO CC[C@H](NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451758 459641668 /nfs/dbraw/zinc/64/16/68/459641668.db2.gz ARMFQOINDCSRCB-SJORKVTESA-N 1 0 348.447 3.172 10 5 EGBERO CCc1nccn1[C@H](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000592799253 459692906 /nfs/dbraw/zinc/69/29/06/459692906.db2.gz ZWFSPZCZWWHBCY-CQSZACIVSA-N 1 0 344.415 3.006 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]4(C3)CCC[NH2+]C4)o2)cc1 ZINC000573684162 459717480 /nfs/dbraw/zinc/71/74/80/459717480.db2.gz SAJKWILSICKVBS-LJQANCHMSA-N 1 0 341.411 3.430 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000596836206 459774355 /nfs/dbraw/zinc/77/43/55/459774355.db2.gz FKXAXDURLXFYNS-UHFFFAOYSA-N 1 0 336.436 3.454 10 5 EGBERO CCN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596899680 459790560 /nfs/dbraw/zinc/79/05/60/459790560.db2.gz QIFALECZKQHWQQ-AWEZNQCLSA-N 1 0 348.447 3.450 10 5 EGBERO C[C@@]12COC[C@]1(C)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597195743 459871224 /nfs/dbraw/zinc/87/12/24/459871224.db2.gz OBPJAIBRLFDDMG-IYBDPMFKSA-N 1 0 342.342 3.055 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000545920008 459872031 /nfs/dbraw/zinc/87/20/31/459872031.db2.gz AYIGOUHQNIFVIW-BZUAXINKSA-N 1 0 334.416 3.159 10 5 EGBERO CC(C)c1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597248310 459894390 /nfs/dbraw/zinc/89/43/90/459894390.db2.gz PYICHGUFEMXGQA-KRWDZBQOSA-N 1 0 349.475 3.261 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598466556 459904731 /nfs/dbraw/zinc/90/47/31/459904731.db2.gz PKNRAXPRXAPGDM-UHFFFAOYSA-N 1 0 327.812 3.098 10 5 EGBERO Cc1cc(N[C@@H](C2CC2)C2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593492202 459905943 /nfs/dbraw/zinc/90/59/43/459905943.db2.gz RYUFJNOWUKOEAG-IBGZPJMESA-N 1 0 341.411 3.490 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593716944 459960483 /nfs/dbraw/zinc/96/04/83/459960483.db2.gz VQBCVIUFXHBUCC-IFXJQAMLSA-N 1 0 326.396 3.122 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594040447 460069348 /nfs/dbraw/zinc/06/93/48/460069348.db2.gz FZTYFXRNIYBXJF-RDJZCZTQSA-N 1 0 349.431 3.169 10 5 EGBERO CCSCC[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501610 460095447 /nfs/dbraw/zinc/09/54/47/460095447.db2.gz RSQKYTCHPMYJDZ-GFCCVEGCSA-N 1 0 340.445 3.345 10 5 EGBERO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)COc2ccccc2O1 ZINC000598985372 460117761 /nfs/dbraw/zinc/11/77/61/460117761.db2.gz PIQXSWBQHOYXID-QGZVFWFLSA-N 1 0 332.331 3.054 10 5 EGBERO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075072 460152738 /nfs/dbraw/zinc/15/27/38/460152738.db2.gz SDSPXOZAEAGZHI-SJCJKPOMSA-N 1 0 325.368 3.072 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599073107 460152857 /nfs/dbraw/zinc/15/28/57/460152857.db2.gz DUVBJVLFWUVXDZ-BBRMVZONSA-N 1 0 333.432 3.271 10 5 EGBERO O=C(C[NH2+][C@@H](c1ccccn1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599573022 460277514 /nfs/dbraw/zinc/27/75/14/460277514.db2.gz DPLPNVMMJJMIOU-GOSISDBHSA-N 1 0 340.383 3.059 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599697036 460314545 /nfs/dbraw/zinc/31/45/45/460314545.db2.gz SXJBANQJQCIILH-OAHLLOKOSA-N 1 0 332.404 3.042 10 5 EGBERO Cc1ccc(OCC[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603842090 460347074 /nfs/dbraw/zinc/34/70/74/460347074.db2.gz GHIQMFQJBUHDMJ-UHFFFAOYSA-N 1 0 330.384 3.293 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000611712917 460436377 /nfs/dbraw/zinc/43/63/77/460436377.db2.gz STBUTAOKNHBKRS-MSOLQXFVSA-N 1 0 349.394 3.395 10 5 EGBERO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600469447 460500662 /nfs/dbraw/zinc/50/06/62/460500662.db2.gz BFLUKWVTKIOYRE-KRWDZBQOSA-N 1 0 345.443 3.006 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000601217196 460754645 /nfs/dbraw/zinc/75/46/45/460754645.db2.gz CYCKXQLLPNMTJI-UHFFFAOYSA-N 1 0 333.432 3.448 10 5 EGBERO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC[N@@H+]1C ZINC000601617139 460847922 /nfs/dbraw/zinc/84/79/22/460847922.db2.gz HLNKJOSRUKDAPA-XJKSGUPXSA-N 1 0 334.420 3.084 10 5 EGBERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000735221504 575618395 /nfs/dbraw/zinc/61/83/95/575618395.db2.gz PQNIVYYZKJIVJY-HNNXBMFYSA-N 1 0 344.342 3.165 10 5 EGBERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000744429726 576827996 /nfs/dbraw/zinc/82/79/96/576827996.db2.gz ZZCIOFBFYFNTDK-GHMZBOCLSA-N 1 0 325.796 3.307 10 5 EGBERO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1(C)C ZINC000871159084 1296248350 /nfs/dbraw/zinc/24/83/50/1296248350.db2.gz MSLKRWMUHXIZQH-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029419 1296677683 /nfs/dbraw/zinc/67/76/83/1296677683.db2.gz WYUVRZQEXPOWAQ-DZGCQCFKSA-N 1 0 332.375 3.236 10 5 EGBERO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031593 1296680118 /nfs/dbraw/zinc/68/01/18/1296680118.db2.gz LECNHGKANCFTPC-LLVKDONJSA-N 1 0 341.383 3.299 10 5 EGBERO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051329 1296700783 /nfs/dbraw/zinc/70/07/83/1296700783.db2.gz JDLJIQYJDIIQII-DIFFPNOSSA-N 1 0 336.338 3.431 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cncc(C)n1 ZINC000872088813 1296726954 /nfs/dbraw/zinc/72/69/54/1296726954.db2.gz RGFYUEWBFNISEN-LBPRGKRZSA-N 1 0 332.429 3.308 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c1 ZINC000872236972 1296836563 /nfs/dbraw/zinc/83/65/63/1296836563.db2.gz XZVVDFRPFWKQLR-OALUTQOASA-N 1 0 347.459 3.015 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886236361 1303408308 /nfs/dbraw/zinc/40/83/08/1303408308.db2.gz FQMUMLIMJFHEHB-MRXNPFEDSA-N 1 0 332.375 3.044 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000886238621 1303408701 /nfs/dbraw/zinc/40/87/01/1303408701.db2.gz DSMUBSMQNVGIBI-HNNXBMFYSA-N 1 0 338.766 3.081 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC000886331076 1303436010 /nfs/dbraw/zinc/43/60/10/1303436010.db2.gz ANLQIGMSKXZPEG-WPGHFRTFSA-N 1 0 340.807 3.064 10 5 EGBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000893028247 1305668409 /nfs/dbraw/zinc/66/84/09/1305668409.db2.gz ZQSCBFNBTQUXBH-JSGCOSHPSA-N 1 0 337.395 3.069 10 5 EGBERO COc1ccc(C2CC2)cc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895536289 1309389108 /nfs/dbraw/zinc/38/91/08/1309389108.db2.gz JBSUSVOXNAOQQB-UHFFFAOYSA-N 1 0 342.399 3.171 10 5 EGBERO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3c4ccccc4CC[C@H]3F)C2)c1 ZINC000895693122 1309469100 /nfs/dbraw/zinc/46/91/00/1309469100.db2.gz YMTYMPQGJUWJRE-YCUKKYJWSA-N 1 0 330.363 3.110 10 5 EGBERO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000858012328 1328658503 /nfs/dbraw/zinc/65/85/03/1328658503.db2.gz ZSJSDFHGXDXDML-MRXNPFEDSA-N 1 0 327.384 3.260 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930353053 1328840254 /nfs/dbraw/zinc/84/02/54/1328840254.db2.gz FMGAWARORHBYOC-KBPBESRZSA-N 1 0 332.322 3.179 10 5 EGBERO COC(=O)/C=C/c1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000917069168 1319746865 /nfs/dbraw/zinc/74/68/65/1319746865.db2.gz OHMUJZBOMAPQDB-RCQQVGEISA-N 1 0 347.415 3.067 10 5 EGBERO CC(C)(C)OC(=O)NCC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000924956752 1323226659 /nfs/dbraw/zinc/22/66/59/1323226659.db2.gz YIYAXQLDIGUIKE-UHFFFAOYSA-N 1 0 349.431 3.030 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000926964765 1327801343 /nfs/dbraw/zinc/80/13/43/1327801343.db2.gz SVQTZHHNFZTSPT-BXUZGUMPSA-N 1 0 333.354 3.436 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927029306 1327825954 /nfs/dbraw/zinc/82/59/54/1327825954.db2.gz CQEMTKSMYULGQV-DYEKYZERSA-N 1 0 337.445 3.186 10 5 EGBERO C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927151475 1327893791 /nfs/dbraw/zinc/89/37/91/1327893791.db2.gz FEEQFOYMKWEAPX-UCLAIMLFSA-N 1 0 326.396 3.338 10 5 EGBERO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000863862823 1329586391 /nfs/dbraw/zinc/58/63/91/1329586391.db2.gz MVTKHWKEQWZJIG-OAHLLOKOSA-N 1 0 341.411 3.351 10 5 EGBERO CC(=O)c1ccc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000866054100 1330060229 /nfs/dbraw/zinc/06/02/29/1330060229.db2.gz XCOOTFFQGRTCQO-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000866055323 1330060391 /nfs/dbraw/zinc/06/03/91/1330060391.db2.gz SMSPYABPXZZRSH-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000866169060 1330073040 /nfs/dbraw/zinc/07/30/40/1330073040.db2.gz NMJMLJJEDPFPLK-UHFFFAOYSA-N 1 0 348.447 3.427 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000866390174 1330105786 /nfs/dbraw/zinc/10/57/86/1330105786.db2.gz SBFMUPSMNUMMAX-VOZBZGINSA-N 1 0 330.359 3.433 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000866512248 1330120159 /nfs/dbraw/zinc/12/01/59/1330120159.db2.gz IKRVODOMPLLRSX-WRSAYESZSA-N 1 0 334.416 3.459 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866534309 1330123170 /nfs/dbraw/zinc/12/31/70/1330123170.db2.gz RBAWDYQNDNPYTO-GOEBONIOSA-N 1 0 334.416 3.140 10 5 EGBERO C[C@@]([NH3+])(C(=O)N[C@H](C1CCC1)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867980944 1330235998 /nfs/dbraw/zinc/23/59/98/1330235998.db2.gz CQQAGIDPSLQKQR-HKUYNNGSSA-N 1 0 345.443 3.244 10 5 EGBERO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CCCC3)C2)cccc1C(F)(F)F ZINC001185231241 1387657130 /nfs/dbraw/zinc/65/71/30/1387657130.db2.gz VGEYFLCVWNICTH-NSHDSACASA-N 1 0 329.322 3.288 10 5 EGBERO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC001190605875 1367306339 /nfs/dbraw/zinc/30/63/39/1367306339.db2.gz QAALSJHRJAZSFK-UHFFFAOYSA-N 1 0 338.358 3.290 10 5 EGBERO C[C@@H]1CCC[C@H]([N@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190682911 1367327419 /nfs/dbraw/zinc/32/74/19/1367327419.db2.gz PXDYWABPXUXTQB-FMKPAKJESA-N 1 0 334.416 3.319 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001196851915 1368698864 /nfs/dbraw/zinc/69/88/64/1368698864.db2.gz WHTGETHMVQTPST-GDIGMMSISA-N 1 0 342.395 3.088 10 5 EGBERO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001198429890 1369030442 /nfs/dbraw/zinc/03/04/42/1369030442.db2.gz OLWJNIDZJRVEGW-LBPRGKRZSA-N 1 0 325.796 3.451 10 5 EGBERO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001198821538 1369121830 /nfs/dbraw/zinc/12/18/30/1369121830.db2.gz SQEFZPMJWKRLMD-LZQZEXGQSA-N 1 0 329.444 3.464 10 5 EGBERO CCC(CC)[NH2+]CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001186889183 1388023031 /nfs/dbraw/zinc/02/30/31/1388023031.db2.gz VJDJPQXGFZZCOM-UHFFFAOYSA-N 1 0 336.823 3.408 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC001326014071 1388101149 /nfs/dbraw/zinc/10/11/49/1388101149.db2.gz QJNUHWXJXHRMRE-SZMVWBNQSA-N 1 0 348.443 3.127 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC001326466397 1388201220 /nfs/dbraw/zinc/20/12/20/1388201220.db2.gz YBVNBYOKBJBFMA-ZIAGYGMSSA-N 1 0 328.372 3.465 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC001269485108 1377556670 /nfs/dbraw/zinc/55/66/70/1377556670.db2.gz ZOBLQOGTBLHKSZ-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001152943478 1379997211 /nfs/dbraw/zinc/99/72/11/1379997211.db2.gz ORUBMNOCEICLCF-UHFFFAOYSA-N 1 0 328.372 3.161 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001162475985 1382768465 /nfs/dbraw/zinc/76/84/65/1382768465.db2.gz JLUVYQUXUBAGDZ-CQSZACIVSA-N 1 0 349.431 3.366 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)cc1C ZINC001163426862 1383049526 /nfs/dbraw/zinc/04/95/26/1383049526.db2.gz GOTIJKOMGRGWKX-ZDUSSCGKSA-N 1 0 337.420 3.221 10 5 EGBERO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001163682063 1383104670 /nfs/dbraw/zinc/10/46/70/1383104670.db2.gz YRBKQQYJYQUKPA-QGZVFWFLSA-N 1 0 325.412 3.348 10 5 EGBERO C[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])(c2ccccc2)CC1 ZINC001163826758 1383126209 /nfs/dbraw/zinc/12/62/09/1383126209.db2.gz YKZKSVSSXCWJOK-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO CC[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC001301121892 1383697428 /nfs/dbraw/zinc/69/74/28/1383697428.db2.gz MAQBNPXRQYYVCE-INIZCTEOSA-N 1 0 333.432 3.385 10 5 EGBERO CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167898451 1383767258 /nfs/dbraw/zinc/76/72/58/1383767258.db2.gz ODMBTLYCPQARCH-MRXNPFEDSA-N 1 0 345.443 3.385 10 5 EGBERO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCCC2)c(C(F)(F)F)c1 ZINC001306928005 1383922036 /nfs/dbraw/zinc/92/20/36/1383922036.db2.gz NRZCSOFLTWHPCN-UHFFFAOYSA-N 1 0 332.326 3.297 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001307224644 1383960081 /nfs/dbraw/zinc/96/00/81/1383960081.db2.gz LHXRHYUITMRMLW-UHFFFAOYSA-N 1 0 347.415 3.200 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC001307236934 1383962824 /nfs/dbraw/zinc/96/28/24/1383962824.db2.gz RKXSYILRZFXEBI-CQSZACIVSA-N 1 0 349.793 3.408 10 5 EGBERO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778536 1384030414 /nfs/dbraw/zinc/03/04/14/1384030414.db2.gz GBJMMNYQIHBTKZ-LXZKKBNFSA-N 1 0 334.416 3.362 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001307950889 1384061966 /nfs/dbraw/zinc/06/19/66/1384061966.db2.gz AADFCKUAALLFFC-IRXDYDNUSA-N 1 0 348.443 3.379 10 5 EGBERO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307947472 1384062482 /nfs/dbraw/zinc/06/24/82/1384062482.db2.gz RJRZEDIJUAWASC-VGPLMAKISA-N 1 0 337.807 3.450 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC001307962703 1384065006 /nfs/dbraw/zinc/06/50/06/1384065006.db2.gz NNACWVKJQOZOQJ-SNVBAGLBSA-N 1 0 325.796 3.165 10 5 EGBERO CCc1ccccc1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999574 1384071644 /nfs/dbraw/zinc/07/16/44/1384071644.db2.gz KKRMMTKBZMDDRJ-LJQANCHMSA-N 1 0 328.412 3.197 10 5 EGBERO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171267295 1384481964 /nfs/dbraw/zinc/48/19/64/1384481964.db2.gz OCKLEUMKOUXWOS-GOEBONIOSA-N 1 0 348.443 3.437 10 5 EGBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCCC1 ZINC001317545674 1385293081 /nfs/dbraw/zinc/29/30/81/1385293081.db2.gz VDZWZPPLOVVKPM-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO C/C=C(\C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001318625161 1385801321 /nfs/dbraw/zinc/80/13/21/1385801321.db2.gz YILHSNSEIATYPQ-LZWSPWQCSA-N 1 0 331.416 3.080 10 5 EGBERO CC(C)c1ccc(C(=O)N2CC[C@@H](CC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001177531809 1385987637 /nfs/dbraw/zinc/98/76/37/1385987637.db2.gz GPYRXWVBVLRHHJ-CQSZACIVSA-N 1 0 333.432 3.132 10 5 EGBERO CC[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)(C)C1 ZINC001178861362 1386332270 /nfs/dbraw/zinc/33/22/70/1386332270.db2.gz WGTJVWMCDJKYMB-AWEZNQCLSA-N 1 0 339.823 3.017 10 5 EGBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CC1 ZINC001322658565 1387220528 /nfs/dbraw/zinc/22/05/28/1387220528.db2.gz YLFFCEXZOLZYSK-UHFFFAOYSA-N 1 0 339.461 3.031 10 5 EGBERO COc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC001329174500 1389005192 /nfs/dbraw/zinc/00/51/92/1389005192.db2.gz FITFIZFKFMCVRI-QGZVFWFLSA-N 1 0 341.411 3.152 10 5 EGBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC=CC1 ZINC001332693308 1390155524 /nfs/dbraw/zinc/15/55/24/1390155524.db2.gz OGFMXOFLXZOGRQ-UHFFFAOYSA-N 1 0 345.443 3.230 10 5 EGBERO Cc1cc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001354026238 1392116640 /nfs/dbraw/zinc/11/66/40/1392116640.db2.gz ANCOSZNPDJSKHT-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO CC(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479772909 1392379677 /nfs/dbraw/zinc/37/96/77/1392379677.db2.gz AXJWPYLJDHGQLA-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CC[N@H+](CCCNC(=O)C1(C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001479850685 1392431218 /nfs/dbraw/zinc/43/12/18/1392431218.db2.gz GBTYBBDGOOSGBI-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC1(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCC1 ZINC001691219539 1405159768 /nfs/dbraw/zinc/15/97/68/1405159768.db2.gz JGTNRNHTEBWTOR-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CCCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713168081 1417741353 /nfs/dbraw/zinc/74/13/53/1417741353.db2.gz VPQBZGAULLHZDE-SHTZXODSSA-N 1 0 333.432 3.158 10 5 EGBERO CC(C)c1ccoc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001713626106 1418398502 /nfs/dbraw/zinc/39/85/02/1418398502.db2.gz WUKWTNXTAQJTBQ-UHFFFAOYSA-N 1 0 345.399 3.173 10 5 EGBERO CC(C)(C)C(=O)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001714331368 1419111473 /nfs/dbraw/zinc/11/14/73/1419111473.db2.gz XULYVWGKLRWKIX-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCC[N@H+](CCNC(=O)c1occc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001714647375 1419423249 /nfs/dbraw/zinc/42/32/49/1419423249.db2.gz PNGAAWFHFXHNIX-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CC(C)c1occc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001714803921 1419517350 /nfs/dbraw/zinc/51/73/50/1419517350.db2.gz MPXMXQUUYFMUKL-UHFFFAOYSA-N 1 0 345.399 3.173 10 5 EGBERO CCC(=O)N1CCC(CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001715440942 1420126027 /nfs/dbraw/zinc/12/60/27/1420126027.db2.gz DPTJMRJWCLKVST-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CCC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)CCC1 ZINC001717156087 1421145889 /nfs/dbraw/zinc/14/58/89/1421145889.db2.gz MWCRHEHGLABFIM-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCCCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001717626668 1421535868 /nfs/dbraw/zinc/53/58/68/1421535868.db2.gz DKNKQKIBEGXFEH-UHFFFAOYSA-N 1 0 345.443 3.209 10 5 EGBERO C/C=C(\C)C(=O)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001717947597 1421713608 /nfs/dbraw/zinc/71/36/08/1421713608.db2.gz LOFWIQXWFUNLSN-GIDUJCDVSA-N 1 0 333.432 3.230 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CCCCCC1 ZINC001731906849 1428167412 /nfs/dbraw/zinc/16/74/12/1428167412.db2.gz BLROXGCLYSAUAN-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO Cc1cccc(C)c1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001731955621 1428182375 /nfs/dbraw/zinc/18/23/75/1428182375.db2.gz IENRVZFXEXPPNM-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000359974150 201121083 /nfs/dbraw/zinc/12/10/83/201121083.db2.gz NHVLVIHNQQKMLZ-SFHVURJKSA-N 1 0 330.359 3.136 10 5 EGBERO Cc1c(NC(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000373571111 242047946 /nfs/dbraw/zinc/04/79/46/242047946.db2.gz BWCVWAZTIKMMAL-UHFFFAOYSA-N 1 0 332.404 3.042 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000072064169 203160574 /nfs/dbraw/zinc/16/05/74/203160574.db2.gz VIWJWUMVEAVAQN-SFHVURJKSA-N 1 0 347.459 3.390 10 5 EGBERO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000092754723 218165399 /nfs/dbraw/zinc/16/53/99/218165399.db2.gz MSPMYZKQFDHHQU-HNNXBMFYSA-N 1 0 347.459 3.276 10 5 EGBERO CC(C)c1csc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174875158 207067216 /nfs/dbraw/zinc/06/72/16/207067216.db2.gz QXZBXUMCVSIQTI-ZDUSSCGKSA-N 1 0 349.460 3.251 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000172170729 533226707 /nfs/dbraw/zinc/22/67/07/533226707.db2.gz FYUSWXLAFMWYHJ-NEPJUHHUSA-N 1 0 335.404 3.099 10 5 EGBERO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])cc1F ZINC000187764254 144164532 /nfs/dbraw/zinc/16/45/32/144164532.db2.gz IBMQOBYQFXVZCF-GJZGRUSLSA-N 1 0 348.378 3.213 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000116293190 152055282 /nfs/dbraw/zinc/05/52/82/152055282.db2.gz WOPODPANTNVEBB-OAHLLOKOSA-N 1 0 329.356 3.354 10 5 EGBERO CC(C)c1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000365435896 157125261 /nfs/dbraw/zinc/12/52/61/157125261.db2.gz JMLCOEJMCOLABG-UHFFFAOYSA-N 1 0 345.443 3.465 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342226482 163819867 /nfs/dbraw/zinc/81/98/67/163819867.db2.gz QOVNFZMVOVTPMA-QWRGUYRKSA-N 1 0 335.433 3.274 10 5 EGBERO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355784956 166308639 /nfs/dbraw/zinc/30/86/39/166308639.db2.gz KCJRPGROGVUOFP-QGZVFWFLSA-N 1 0 344.411 3.293 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000359080572 167061421 /nfs/dbraw/zinc/06/14/21/167061421.db2.gz GDNFIFPFJMFKNW-OAHLLOKOSA-N 1 0 332.379 3.461 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556504 167191804 /nfs/dbraw/zinc/19/18/04/167191804.db2.gz MAIUPKUFWPASEB-ACJLOTCBSA-N 1 0 331.416 3.354 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000366843197 168147165 /nfs/dbraw/zinc/14/71/65/168147165.db2.gz BLBYWVNDYVVDBG-WMZOPIPTSA-N 1 0 329.375 3.269 10 5 EGBERO C[NH+](C)CCc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000278466022 268020013 /nfs/dbraw/zinc/02/00/13/268020013.db2.gz NCDPXSJWUBRQFA-UHFFFAOYSA-N 1 0 339.399 3.187 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000181355581 275206367 /nfs/dbraw/zinc/20/63/67/275206367.db2.gz FOPKLAFTAHKLCQ-CZUORRHYSA-N 1 0 348.374 3.133 10 5 EGBERO Cc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000184802926 275213478 /nfs/dbraw/zinc/21/34/78/275213478.db2.gz MWUDIECHTQYZEG-UHFFFAOYSA-N 1 0 326.400 3.011 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCC1 ZINC000278980575 275293060 /nfs/dbraw/zinc/29/30/60/275293060.db2.gz CVIVVYPWIICOSK-UHFFFAOYSA-N 1 0 339.823 3.162 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000251775650 278028729 /nfs/dbraw/zinc/02/87/29/278028729.db2.gz LDQUKSWJPRPNHJ-HIFRSBDPSA-N 1 0 331.416 3.027 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1[N+](=O)[O-] ZINC000152896646 307761315 /nfs/dbraw/zinc/76/13/15/307761315.db2.gz SCVINEPPZVUSJQ-CYBMUJFWSA-N 1 0 344.415 3.305 10 5 EGBERO C[N@@H+]1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293608100 308146046 /nfs/dbraw/zinc/14/60/46/308146046.db2.gz PJISWVOEZGLFFG-OAHLLOKOSA-N 1 0 343.349 3.141 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295023751 308282747 /nfs/dbraw/zinc/28/27/47/308282747.db2.gz QXRWTMGWJSYNBP-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO Cc1cc(NCC(=O)NC2CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146269 308730897 /nfs/dbraw/zinc/73/08/97/308730897.db2.gz GQZNBBUIZVWERQ-UHFFFAOYSA-N 1 0 342.399 3.312 10 5 EGBERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415689082 309141195 /nfs/dbraw/zinc/14/11/95/309141195.db2.gz CMDODCKXVQXGHU-OLZOCXBDSA-N 1 0 348.447 3.483 10 5 EGBERO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415702778 309141352 /nfs/dbraw/zinc/14/13/52/309141352.db2.gz PUKSXZKFHHDMLW-BXUZGUMPSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000415701787 309141387 /nfs/dbraw/zinc/14/13/87/309141387.db2.gz OTUKVEKWOVQUBE-GFCCVEGCSA-N 1 0 348.447 3.483 10 5 EGBERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415703645 309141531 /nfs/dbraw/zinc/14/15/31/309141531.db2.gz RBAIVOHRGLODDU-NEPJUHHUSA-N 1 0 334.420 3.093 10 5 EGBERO C[NH2+]Cc1ccccc1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000415896206 309146582 /nfs/dbraw/zinc/14/65/82/309146582.db2.gz CXQQAMUOXLANQN-UHFFFAOYSA-N 1 0 342.399 3.021 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1cccnc1)CCCC2 ZINC000417350340 309202548 /nfs/dbraw/zinc/20/25/48/309202548.db2.gz PKNNMMVQWDGKAC-APWZRJJASA-N 1 0 341.411 3.123 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419009 310060447 /nfs/dbraw/zinc/06/04/47/310060447.db2.gz GKSCSXZOLAEASY-MOPGFXCFSA-N 1 0 344.386 3.203 10 5 EGBERO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451357323 310174021 /nfs/dbraw/zinc/17/40/21/310174021.db2.gz YPXVPFPWLRFQER-BFYDXBDKSA-N 1 0 334.416 3.119 10 5 EGBERO COc1ccc(NC(=O)C[N@H+](C(C)C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000452099531 310212080 /nfs/dbraw/zinc/21/20/80/310212080.db2.gz CHYVNXRRXDNUNM-UHFFFAOYSA-N 1 0 349.431 3.441 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000468622013 310691283 /nfs/dbraw/zinc/69/12/83/310691283.db2.gz NRQHHVBNTMWRHR-NTUHNPAUSA-N 1 0 330.359 3.419 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000487718753 311035201 /nfs/dbraw/zinc/03/52/01/311035201.db2.gz FPWCMGUGUHEQAR-CABCVRRESA-N 1 0 348.447 3.138 10 5 EGBERO C[NH+](C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1cccs1 ZINC000487897330 311041655 /nfs/dbraw/zinc/04/16/55/311041655.db2.gz QCAWPKLOITYTBO-CQSZACIVSA-N 1 0 342.424 3.341 10 5 EGBERO C[NH+](C)CC1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488092174 311050891 /nfs/dbraw/zinc/05/08/91/311050891.db2.gz ULNPXYBXFZWNJH-UHFFFAOYSA-N 1 0 328.416 3.097 10 5 EGBERO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488765155 311079155 /nfs/dbraw/zinc/07/91/55/311079155.db2.gz HJXOXRWNLXVYQY-CQSZACIVSA-N 1 0 340.427 3.454 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000489976027 311127948 /nfs/dbraw/zinc/12/79/48/311127948.db2.gz FREKCHJZUIGODQ-INIZCTEOSA-N 1 0 327.384 3.290 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000489976028 311127963 /nfs/dbraw/zinc/12/79/63/311127963.db2.gz FREKCHJZUIGODQ-MRXNPFEDSA-N 1 0 327.384 3.290 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2cnccn2)c2ccccc2)c1 ZINC000494748417 311509166 /nfs/dbraw/zinc/50/91/66/311509166.db2.gz VJHOQRGNDPIWDP-LJQANCHMSA-N 1 0 334.379 3.307 10 5 EGBERO CSc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000548763689 315044893 /nfs/dbraw/zinc/04/48/93/315044893.db2.gz XFUAXEPRLLCTMF-UHFFFAOYSA-N 1 0 345.424 3.435 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000560556126 315707411 /nfs/dbraw/zinc/70/74/11/315707411.db2.gz IFJYZLFPMBDPPA-UHFFFAOYSA-N 1 0 340.423 3.429 10 5 EGBERO COc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000564097990 316113498 /nfs/dbraw/zinc/11/34/98/316113498.db2.gz LPAAGCCOKAFQFJ-IRXDYDNUSA-N 1 0 344.415 3.116 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000192485140 323817316 /nfs/dbraw/zinc/81/73/16/323817316.db2.gz BGKWZGKAACZZMO-LLVKDONJSA-N 1 0 343.408 3.359 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000183299452 455273900 /nfs/dbraw/zinc/27/39/00/455273900.db2.gz OPMPRHNMXXSBBW-UHFFFAOYSA-N 1 0 332.429 3.072 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CC[NH2+]C23CCC3)o1 ZINC000600678592 460566203 /nfs/dbraw/zinc/56/62/03/460566203.db2.gz LVBBEGSERCNDTP-KRWDZBQOSA-N 1 0 327.384 3.229 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC(C1CCC1)C1CCC1 ZINC000600742719 460586720 /nfs/dbraw/zinc/58/67/20/460586720.db2.gz AJLLBAOMIIUGNA-INIZCTEOSA-N 1 0 348.443 3.141 10 5 EGBERO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000181732192 455376891 /nfs/dbraw/zinc/37/68/91/455376891.db2.gz PWMSNHWVHLJZIQ-CYBMUJFWSA-N 1 0 344.367 3.096 10 5 EGBERO Cc1sc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000032766153 453889840 /nfs/dbraw/zinc/88/98/40/453889840.db2.gz WVBXDQWKFOKPSX-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000067249186 453914154 /nfs/dbraw/zinc/91/41/54/453914154.db2.gz DURLRNXCFNPYJL-UHFFFAOYSA-N 1 0 349.390 3.095 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000089640664 454172001 /nfs/dbraw/zinc/17/20/01/454172001.db2.gz OHWWIQLSYNFWEP-CYBMUJFWSA-N 1 0 347.440 3.435 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000130264288 454186032 /nfs/dbraw/zinc/18/60/32/454186032.db2.gz QPAOXYYUEFDLDM-XOYOTBSWSA-N 1 0 332.444 3.447 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000095946713 454235471 /nfs/dbraw/zinc/23/54/71/454235471.db2.gz KFZNNOWFDPYXDU-SJKOYZFVSA-N 1 0 325.368 3.199 10 5 EGBERO Cc1cc(C[C@@H](C)[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC000090529682 454317761 /nfs/dbraw/zinc/31/77/61/454317761.db2.gz BLCITVORFGQOFI-PXAZEXFGSA-N 1 0 328.416 3.168 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000072665332 454325283 /nfs/dbraw/zinc/32/52/83/454325283.db2.gz QKFGKMDIJLAJIH-MRXNPFEDSA-N 1 0 349.394 3.224 10 5 EGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000105895837 454664669 /nfs/dbraw/zinc/66/46/69/454664669.db2.gz XYWXMIFWYHNNJZ-KRWDZBQOSA-N 1 0 328.416 3.325 10 5 EGBERO Cc1sc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124485509 454739189 /nfs/dbraw/zinc/73/91/89/454739189.db2.gz DESZKVCMUQCOIO-ZDUSSCGKSA-N 1 0 339.461 3.063 10 5 EGBERO COc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000154910713 454941926 /nfs/dbraw/zinc/94/19/26/454941926.db2.gz KJNRDZBQRBGKCI-GFCCVEGCSA-N 1 0 337.395 3.196 10 5 EGBERO C[NH+](C)CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC000116231036 455048756 /nfs/dbraw/zinc/04/87/56/455048756.db2.gz NHHDREAMSZTUFI-INIZCTEOSA-N 1 0 346.431 3.172 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000152184106 455083550 /nfs/dbraw/zinc/08/35/50/455083550.db2.gz ZDOBKXSAVNZXCM-HNNXBMFYSA-N 1 0 333.775 3.297 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181534078 455350955 /nfs/dbraw/zinc/35/09/55/455350955.db2.gz FTAROQAPEXZQLC-OAHLLOKOSA-N 1 0 343.383 3.283 10 5 EGBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246226567 455453793 /nfs/dbraw/zinc/45/37/93/455453793.db2.gz MAGZRZZHVPQJOI-IINYFYTJSA-N 1 0 340.811 3.098 10 5 EGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277830028 455679188 /nfs/dbraw/zinc/67/91/88/455679188.db2.gz RLUWNUZESAQHBC-UHIISALHSA-N 1 0 332.322 3.291 10 5 EGBERO Cc1nc(C[C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)no1 ZINC000255037058 455859270 /nfs/dbraw/zinc/85/92/70/455859270.db2.gz YUDOMBKSNHAVFB-GTBONMDNSA-N 1 0 342.399 3.254 10 5 EGBERO Cc1c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000188102333 455997037 /nfs/dbraw/zinc/99/70/37/455997037.db2.gz GUTUTIUWONLBPG-HOTGVXAUSA-N 1 0 332.425 3.173 10 5 EGBERO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601104569 460711952 /nfs/dbraw/zinc/71/19/52/460711952.db2.gz ARXJIKOATZJNMU-UHFFFAOYSA-N 1 0 349.357 3.024 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000301592404 456155694 /nfs/dbraw/zinc/15/56/94/456155694.db2.gz DMSQXMNIFPJWNJ-LBPRGKRZSA-N 1 0 325.384 3.132 10 5 EGBERO COc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000301648862 456173073 /nfs/dbraw/zinc/17/30/73/456173073.db2.gz QYMJRASPIBKKAK-LBPRGKRZSA-N 1 0 325.384 3.132 10 5 EGBERO COc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000301648861 456173284 /nfs/dbraw/zinc/17/32/84/456173284.db2.gz QYMJRASPIBKKAK-GFCCVEGCSA-N 1 0 325.384 3.132 10 5 EGBERO COc1cc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352778023 456298479 /nfs/dbraw/zinc/29/84/79/456298479.db2.gz IUCUMNVJARTELZ-UGSOOPFHSA-N 1 0 336.432 3.270 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000275769455 456307976 /nfs/dbraw/zinc/30/79/76/456307976.db2.gz GSRRJKBVDKGRQZ-STQMWFEESA-N 1 0 339.823 3.159 10 5 EGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCSc1ccccc1F)CC2 ZINC000353053123 456464233 /nfs/dbraw/zinc/46/42/33/456464233.db2.gz ZQKAXBTXOICXPI-UHFFFAOYSA-N 1 0 333.388 3.279 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000276509412 456501822 /nfs/dbraw/zinc/50/18/22/456501822.db2.gz AWOYLFYCZQOKOE-UHFFFAOYSA-N 1 0 339.823 3.161 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000348514044 456725652 /nfs/dbraw/zinc/72/56/52/456725652.db2.gz ZHTPPQDQCCUBTC-SCLBCKFNSA-N 1 0 336.432 3.270 10 5 EGBERO C[NH+](C)CCOc1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000341719984 456913860 /nfs/dbraw/zinc/91/38/60/456913860.db2.gz FECNOQJYHZMHRK-UHFFFAOYSA-N 1 0 333.363 3.286 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330408442 457040675 /nfs/dbraw/zinc/04/06/75/457040675.db2.gz HPYPEIXJDOLRIH-OKILXGFUSA-N 1 0 333.432 3.001 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000360918605 457432836 /nfs/dbraw/zinc/43/28/36/457432836.db2.gz KJIQIDZUKSDDSD-GUYCJALGSA-N 1 0 327.384 3.123 10 5 EGBERO Cc1nccn1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352568017 457471947 /nfs/dbraw/zinc/47/19/47/457471947.db2.gz SMLRETILNPZWPM-IBGZPJMESA-N 1 0 336.395 3.479 10 5 EGBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000352688544 457533041 /nfs/dbraw/zinc/53/30/41/457533041.db2.gz DKZDSKQYFLQKIT-UHFFFAOYSA-N 1 0 347.337 3.138 10 5 EGBERO CC(C)(C)N1CC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000425474314 457569664 /nfs/dbraw/zinc/56/96/64/457569664.db2.gz INQXUBFFIARCSO-RDJZCZTQSA-N 1 0 345.443 3.174 10 5 EGBERO CC(C)(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000425474312 457570060 /nfs/dbraw/zinc/57/00/60/457570060.db2.gz INQXUBFFIARCSO-NVXWUHKLSA-N 1 0 345.443 3.174 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](CO)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000425980073 457751701 /nfs/dbraw/zinc/75/17/01/457751701.db2.gz MPICDXNKLNQGCI-QWHCGFSZSA-N 1 0 346.383 3.066 10 5 EGBERO C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000445224152 458028494 /nfs/dbraw/zinc/02/84/94/458028494.db2.gz WZCKMORFPRZUMY-AWEZNQCLSA-N 1 0 348.447 3.077 10 5 EGBERO CCC[N@H+](CC)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000434831676 458055558 /nfs/dbraw/zinc/05/55/58/458055558.db2.gz YELDUUDWNZWLNM-UHFFFAOYSA-N 1 0 348.428 3.389 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412043436 458062585 /nfs/dbraw/zinc/06/25/85/458062585.db2.gz NUVFKRQDNLFODS-VXGBXAGGSA-N 1 0 335.404 3.051 10 5 EGBERO COc1ccc(OCC[NH2+][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000445770978 458087219 /nfs/dbraw/zinc/08/72/19/458087219.db2.gz AWQYBLYPEZPMGQ-GOSISDBHSA-N 1 0 343.383 3.118 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428749944 458206063 /nfs/dbraw/zinc/20/60/63/458206063.db2.gz OPVSSZCRTIKFLM-LSDHHAIUSA-N 1 0 326.343 3.471 10 5 EGBERO COc1cc(C[NH+]2CCC(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000429539394 458341770 /nfs/dbraw/zinc/34/17/70/458341770.db2.gz VIZUGJXGERSDPF-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470184455 458623585 /nfs/dbraw/zinc/62/35/85/458623585.db2.gz VSOJEOAPADIEFA-XOVFHRFOSA-N 1 0 345.443 3.331 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462867367 458663713 /nfs/dbraw/zinc/66/37/13/458663713.db2.gz IAUOLFSZQWTJTH-UVTDQMKNSA-N 1 0 340.427 3.400 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000439163827 458665936 /nfs/dbraw/zinc/66/59/36/458665936.db2.gz HJPHOFOQECUNSE-WCQYABFASA-N 1 0 339.823 3.111 10 5 EGBERO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000439413768 458698975 /nfs/dbraw/zinc/69/89/75/458698975.db2.gz UQRNWERRIQGOCI-CQSZACIVSA-N 1 0 333.432 3.322 10 5 EGBERO CC(C)(C)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000530461793 458773473 /nfs/dbraw/zinc/77/34/73/458773473.db2.gz MEFXQWJEAZIQKM-MRXNPFEDSA-N 1 0 336.432 3.093 10 5 EGBERO Cc1cnc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432914746 458812900 /nfs/dbraw/zinc/81/29/00/458812900.db2.gz BVCQSRUDEKHTTA-CQSZACIVSA-N 1 0 328.372 3.427 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)C3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000556818058 459015499 /nfs/dbraw/zinc/01/54/99/459015499.db2.gz HHPUSFZIKAODCT-UHFFFAOYSA-N 1 0 346.383 3.474 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000590032906 459070720 /nfs/dbraw/zinc/07/07/20/459070720.db2.gz MXNUVSYOTMIGJE-UHFFFAOYSA-N 1 0 347.459 3.111 10 5 EGBERO CN1C[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053204 459073198 /nfs/dbraw/zinc/07/31/98/459073198.db2.gz YGMMLOQUHDYHJU-SUMWQHHRSA-N 1 0 343.452 3.459 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC3(CCCC3)O2)n1 ZINC000594521835 459078426 /nfs/dbraw/zinc/07/84/26/459078426.db2.gz UUCPRRCRGIDPLX-OWCLPIDISA-N 1 0 348.447 3.356 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)OCCO2 ZINC000590194631 459098949 /nfs/dbraw/zinc/09/89/49/459098949.db2.gz ZWCUUERMXLCAKO-HOCLYGCPSA-N 1 0 340.379 3.259 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H](O)C34CCC4)o2)cc1 ZINC000594985842 459204813 /nfs/dbraw/zinc/20/48/13/459204813.db2.gz ASXYFZVNHOXUSB-SJORKVTESA-N 1 0 328.368 3.248 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)c1ccccn1 ZINC000595048774 459227979 /nfs/dbraw/zinc/22/79/79/459227979.db2.gz NDNWBNILEJDPPL-KBPBESRZSA-N 1 0 342.399 3.100 10 5 EGBERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000595072340 459236941 /nfs/dbraw/zinc/23/69/41/459236941.db2.gz RVLRWKKHFDKKDI-VDERGJSUSA-N 1 0 341.415 3.193 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cccc1[N+](=O)[O-] ZINC000595072260 459237476 /nfs/dbraw/zinc/23/74/76/459237476.db2.gz QZDDZFVUWATYHB-CZUORRHYSA-N 1 0 339.395 3.142 10 5 EGBERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000595072342 459237786 /nfs/dbraw/zinc/23/77/86/459237786.db2.gz RVLRWKKHFDKKDI-XOUADPBQSA-N 1 0 341.415 3.193 10 5 EGBERO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595384959 459288244 /nfs/dbraw/zinc/28/82/44/459288244.db2.gz TWWYKYWYFAYHOB-GOSISDBHSA-N 1 0 343.402 3.440 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000582147543 459315015 /nfs/dbraw/zinc/31/50/15/459315015.db2.gz UUWMEYVSRAYZJD-UHFFFAOYSA-N 1 0 341.411 3.316 10 5 EGBERO CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591306196 459350892 /nfs/dbraw/zinc/35/08/92/459350892.db2.gz KIQDFBDHSCHSAI-DOMZBBRYSA-N 1 0 348.447 3.483 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1COc2ccccc2O1 ZINC000569000671 459379995 /nfs/dbraw/zinc/37/99/95/459379995.db2.gz MLOZMTJXAITNSS-WFASDCNBSA-N 1 0 326.352 3.012 10 5 EGBERO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000561266513 459436894 /nfs/dbraw/zinc/43/68/94/459436894.db2.gz YUHHVDFEENQUGK-GOSISDBHSA-N 1 0 340.427 3.481 10 5 EGBERO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485409968 459453784 /nfs/dbraw/zinc/45/37/84/459453784.db2.gz SCWCSWPRKCGQSJ-OAHLLOKOSA-N 1 0 344.390 3.326 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838292 459459144 /nfs/dbraw/zinc/45/91/44/459459144.db2.gz UUEGVTKDCAJIMZ-OAHLLOKOSA-N 1 0 331.416 3.436 10 5 EGBERO O=[N+]([O-])c1ccccc1CN(Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000595894228 459478701 /nfs/dbraw/zinc/47/87/01/459478701.db2.gz VWVURDTUHDDMQA-UHFFFAOYSA-N 1 0 337.423 3.405 10 5 EGBERO CCCN(C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591976296 459501823 /nfs/dbraw/zinc/50/18/23/459501823.db2.gz QFXRWSHBRLLPKN-IAGOWNOFSA-N 1 0 348.447 3.172 10 5 EGBERO COC(=O)c1c(Cl)c(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596054264 459502722 /nfs/dbraw/zinc/50/27/22/459502722.db2.gz BQNYNEVOSZDTHY-UHFFFAOYSA-N 1 0 343.811 3.035 10 5 EGBERO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000596061885 459505543 /nfs/dbraw/zinc/50/55/43/459505543.db2.gz LVOTZAJCAJNMGS-UHFFFAOYSA-N 1 0 346.818 3.273 10 5 EGBERO CC[N@@H+]1CCC[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596093704 459517219 /nfs/dbraw/zinc/51/72/19/459517219.db2.gz DXJRYUNYJAKAHR-NSHDSACASA-N 1 0 327.812 3.401 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592179225 459543779 /nfs/dbraw/zinc/54/37/79/459543779.db2.gz AJTGIVYXXNRSRE-QGZVFWFLSA-N 1 0 334.416 3.046 10 5 EGBERO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596231518 459568065 /nfs/dbraw/zinc/56/80/65/459568065.db2.gz KGXWVFDCCYODFH-RYUDHWBXSA-N 1 0 339.823 3.320 10 5 EGBERO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392304 459588583 /nfs/dbraw/zinc/58/85/83/459588583.db2.gz KBZMGYGNNZMZNO-XHDPSFHLSA-N 1 0 338.358 3.299 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592394163 459589943 /nfs/dbraw/zinc/58/99/43/459589943.db2.gz FXVITENUZAZWNL-JFOHDYCDSA-N 1 0 338.473 3.415 10 5 EGBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000596458606 459643764 /nfs/dbraw/zinc/64/37/64/459643764.db2.gz UHGVFIGRNAXRQX-GFCCVEGCSA-N 1 0 340.811 3.196 10 5 EGBERO Cc1cc(N2CCC[C@](O)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596464734 459645399 /nfs/dbraw/zinc/64/53/99/459645399.db2.gz XHWLBLCGWJKKMV-GOSISDBHSA-N 1 0 327.384 3.193 10 5 EGBERO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000596647804 459713865 /nfs/dbraw/zinc/71/38/65/459713865.db2.gz CFWYVHVXSCYWPJ-NIKGAXFTSA-N 1 0 325.412 3.391 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000597233095 459886892 /nfs/dbraw/zinc/88/68/92/459886892.db2.gz WZOJUHURINFHBB-XBNGYDHASA-N 1 0 345.443 3.235 10 5 EGBERO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000593717110 459962634 /nfs/dbraw/zinc/96/26/34/459962634.db2.gz XVYDQXXVCBRFTM-LIRRHRJNSA-N 1 0 326.396 3.122 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000589510947 460096763 /nfs/dbraw/zinc/09/67/63/460096763.db2.gz XRWZKRAIYVSZTD-FZKQIMNGSA-N 1 0 332.400 3.394 10 5 EGBERO CO[C@H]1C[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000599017349 460126662 /nfs/dbraw/zinc/12/66/62/460126662.db2.gz PBICGCBBXUNVGN-WGRBQBNCSA-N 1 0 333.413 3.233 10 5 EGBERO CCC[N@H+](C)C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599054131 460142621 /nfs/dbraw/zinc/14/26/21/460142621.db2.gz WRCNRGXIODWSRR-CQSZACIVSA-N 1 0 328.416 3.311 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000599060524 460146328 /nfs/dbraw/zinc/14/63/28/460146328.db2.gz XRXZPMFWLJBMHZ-DYVFJYSZSA-N 1 0 342.395 3.396 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000599141254 460173692 /nfs/dbraw/zinc/17/36/92/460173692.db2.gz ZVRAAGRBYTZFHM-QGZVFWFLSA-N 1 0 327.384 3.290 10 5 EGBERO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599628638 460292406 /nfs/dbraw/zinc/29/24/06/460292406.db2.gz CHESZMWLUOVWCP-HNNXBMFYSA-N 1 0 332.379 3.199 10 5 EGBERO CCC1([NH+](C)C)CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000601229184 460757589 /nfs/dbraw/zinc/75/75/89/460757589.db2.gz HZSMTHFKTDBIED-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO C[NH+](C)C1CCC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601639336 460854023 /nfs/dbraw/zinc/85/40/23/460854023.db2.gz IBJNXFQOZQPFLI-UHFFFAOYSA-N 1 0 345.443 3.006 10 5 EGBERO COC(=O)/C=C\c1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000741750520 576716794 /nfs/dbraw/zinc/71/67/94/576716794.db2.gz WCUNFIDMXGWSST-KJJQSCHISA-N 1 0 349.431 3.169 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000870574589 1295951541 /nfs/dbraw/zinc/95/15/41/1295951541.db2.gz LHRISZWLISYLRK-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000870700103 1296028056 /nfs/dbraw/zinc/02/80/56/1296028056.db2.gz DLSJYECXYAWRPE-UHFFFAOYSA-N 1 0 332.400 3.129 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023776 1296666078 /nfs/dbraw/zinc/66/60/78/1296666078.db2.gz KLXVVSDYGOUBMM-NHYWBVRUSA-N 1 0 334.347 3.127 10 5 EGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037863 1296689247 /nfs/dbraw/zinc/68/92/47/1296689247.db2.gz GCEPQBOIZHYYTC-CMPLNLGQSA-N 1 0 334.395 3.366 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC000872091545 1296728917 /nfs/dbraw/zinc/72/89/17/1296728917.db2.gz JHASIMQAFYBDHQ-ABAIWWIYSA-N 1 0 349.456 3.121 10 5 EGBERO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000585113814 1298029419 /nfs/dbraw/zinc/02/94/19/1298029419.db2.gz RTSISVZQFLLMAY-SNVBAGLBSA-N 1 0 346.214 3.116 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000881819361 1301731339 /nfs/dbraw/zinc/73/13/39/1301731339.db2.gz PIXLNERQKCNXBQ-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883270481 1302347159 /nfs/dbraw/zinc/34/71/59/1302347159.db2.gz PCKQDKMDLDPVHN-UBWHZCOUSA-N 1 0 330.384 3.032 10 5 EGBERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)O2)CO1 ZINC000886331320 1303436382 /nfs/dbraw/zinc/43/63/82/1303436382.db2.gz DTNNSROKYDSBQM-WPGHFRTFSA-N 1 0 340.807 3.064 10 5 EGBERO CC(=O)c1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000895889997 1309581670 /nfs/dbraw/zinc/58/16/70/1309581670.db2.gz AKLRHAQZAPDJSS-KRWDZBQOSA-N 1 0 342.399 3.297 10 5 EGBERO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000929211653 1328537545 /nfs/dbraw/zinc/53/75/45/1328537545.db2.gz KGGRYRBLENOATB-UHFFFAOYSA-N 1 0 342.827 3.300 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000899560214 1317090721 /nfs/dbraw/zinc/09/07/21/1317090721.db2.gz ITDGIFSOLVDCFT-UHFFFAOYSA-N 1 0 345.443 3.004 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858472320 1328771098 /nfs/dbraw/zinc/77/10/98/1328771098.db2.gz XPYATOGYOXAFSV-RHSMWYFYSA-N 1 0 330.384 3.214 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000913280584 1318994250 /nfs/dbraw/zinc/99/42/50/1318994250.db2.gz FMESXABHKKNLDY-OALUTQOASA-N 1 0 345.443 3.132 10 5 EGBERO COC(=O)/C=C\c1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000915212136 1319444590 /nfs/dbraw/zinc/44/45/90/1319444590.db2.gz ZMONKMDURZFOOK-IUCKJTJTSA-N 1 0 347.415 3.067 10 5 EGBERO Cc1ccc(CN[C@H](CC[NH+](C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000922629122 1322575062 /nfs/dbraw/zinc/57/50/62/1322575062.db2.gz HVSXQGMXGFHRIS-QGZVFWFLSA-N 1 0 328.416 3.081 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000922732107 1322605024 /nfs/dbraw/zinc/60/50/24/1322605024.db2.gz LLXZDHNACPKILB-OIBJUYFYSA-N 1 0 340.248 3.484 10 5 EGBERO COc1ccc(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000859644755 1329044114 /nfs/dbraw/zinc/04/41/14/1329044114.db2.gz QVMPRXBHVAMSJG-INIZCTEOSA-N 1 0 348.374 3.301 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859927620 1329111160 /nfs/dbraw/zinc/11/11/60/1329111160.db2.gz MXJIEMMZVWFVAM-FFGOWVMKSA-N 1 0 338.407 3.364 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccns1 ZINC000860054328 1329135750 /nfs/dbraw/zinc/13/57/50/1329135750.db2.gz JSLZFPCMYRKNMR-NSHDSACASA-N 1 0 334.401 3.039 10 5 EGBERO CC1(C)C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000925778323 1325297352 /nfs/dbraw/zinc/29/73/52/1325297352.db2.gz SNUSZNNLLSGXSO-ABAIWWIYSA-N 1 0 339.386 3.152 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927016321 1327821979 /nfs/dbraw/zinc/82/19/79/1327821979.db2.gz KADBOLWMOUSVMZ-CHWSQXEVSA-N 1 0 338.379 3.113 10 5 EGBERO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C[C@@H]2O1 ZINC000927056549 1327831919 /nfs/dbraw/zinc/83/19/19/1327831919.db2.gz KJSLDDFMGXIGPI-YYQUZTFQSA-N 1 0 332.400 3.244 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000927156933 1327897015 /nfs/dbraw/zinc/89/70/15/1327897015.db2.gz RIONASYHABZVDP-ZTNFWEORSA-N 1 0 338.407 3.264 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000928011851 1328170826 /nfs/dbraw/zinc/17/08/26/1328170826.db2.gz JQGARHYADBUNFS-UHFFFAOYSA-N 1 0 349.406 3.261 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862154277 1329462601 /nfs/dbraw/zinc/46/26/01/1329462601.db2.gz ISKDASOGVIWZFG-AWEZNQCLSA-N 1 0 341.411 3.351 10 5 EGBERO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@@H+]1CCCC2(CC2)CC1 ZINC000863331339 1329547113 /nfs/dbraw/zinc/54/71/13/1329547113.db2.gz JLLIGUAFSRKBIT-QGZVFWFLSA-N 1 0 343.427 3.134 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865778799 1329737691 /nfs/dbraw/zinc/73/76/91/1329737691.db2.gz OGKNQVXZNWHHEX-HNNXBMFYSA-N 1 0 334.416 3.290 10 5 EGBERO Cc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000866141709 1330069979 /nfs/dbraw/zinc/06/99/79/1330069979.db2.gz XZXVIQCACQDDJX-UHFFFAOYSA-N 1 0 342.399 3.287 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCSC1 ZINC000866401935 1330107138 /nfs/dbraw/zinc/10/71/38/1330107138.db2.gz GPMDTRKFGNINDX-OLZOCXBDSA-N 1 0 337.445 3.045 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000866513768 1330120263 /nfs/dbraw/zinc/12/02/63/1330120263.db2.gz ZDMMMUAMMUNSJJ-MRAWALMUSA-N 1 0 336.407 3.460 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867991483 1330237768 /nfs/dbraw/zinc/23/77/68/1330237768.db2.gz PZBFTTCNOGNLNS-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](CC)[NH+]2CCCC2)cc1C ZINC001184821856 1387544853 /nfs/dbraw/zinc/54/48/53/1387544853.db2.gz YLRPWWSSZQWVMI-AWEZNQCLSA-N 1 0 349.431 3.366 10 5 EGBERO C/C=C(/C)C(=O)NCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001324852986 1387792804 /nfs/dbraw/zinc/79/28/04/1387792804.db2.gz RZHVCDPSNRNVLS-TVPGTPATSA-N 1 0 345.443 3.279 10 5 EGBERO CC(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001191059099 1367413084 /nfs/dbraw/zinc/41/30/84/1367413084.db2.gz SVDWCINZFLBBEX-OAHLLOKOSA-N 1 0 345.443 3.242 10 5 EGBERO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001191101225 1367423579 /nfs/dbraw/zinc/42/35/79/1367423579.db2.gz VGAMAMQJRLGNJT-HUUCEWRRSA-N 1 0 338.452 3.015 10 5 EGBERO COC(C)(C)CN(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC001192243808 1367727920 /nfs/dbraw/zinc/72/79/20/1367727920.db2.gz NWTJFESMXZJHKX-UHFFFAOYSA-N 1 0 331.210 3.214 10 5 EGBERO C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001192673473 1367847623 /nfs/dbraw/zinc/84/76/23/1367847623.db2.gz OBKKLJZADVBYFT-GFCCVEGCSA-N 1 0 338.367 3.137 10 5 EGBERO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001198429889 1369030823 /nfs/dbraw/zinc/03/08/23/1369030823.db2.gz OLWJNIDZJRVEGW-GFCCVEGCSA-N 1 0 325.796 3.451 10 5 EGBERO Cc1cc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001119572914 1371367740 /nfs/dbraw/zinc/36/77/40/1371367740.db2.gz QSFXZEMWOKEIOC-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001187686067 1388142290 /nfs/dbraw/zinc/14/22/90/1388142290.db2.gz IQBVNOQMQVXFMF-QGZVFWFLSA-N 1 0 334.379 3.294 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001148264583 1379141476 /nfs/dbraw/zinc/14/14/76/1379141476.db2.gz OUTNRIFYXDVYRO-HNNXBMFYSA-N 1 0 347.459 3.448 10 5 EGBERO CC(C)(NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001294471189 1382462357 /nfs/dbraw/zinc/46/23/57/1382462357.db2.gz BISHBKRCLDMRCP-UHFFFAOYSA-N 1 0 345.443 3.211 10 5 EGBERO Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001162905336 1382910979 /nfs/dbraw/zinc/91/09/79/1382910979.db2.gz SJHMSVFBWOZIQB-KBPBESRZSA-N 1 0 339.823 3.015 10 5 EGBERO C[C@H](CCNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001163031735 1382951692 /nfs/dbraw/zinc/95/16/92/1382951692.db2.gz SDTUABAARWPTBQ-CQSZACIVSA-N 1 0 328.416 3.241 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001164350736 1383179722 /nfs/dbraw/zinc/17/97/22/1383179722.db2.gz KJTYHUAJPOTFTJ-NSHDSACASA-N 1 0 340.221 3.111 10 5 EGBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167475291 1383644595 /nfs/dbraw/zinc/64/45/95/1383644595.db2.gz ZFYYQTRSTRNVNI-IAGOWNOFSA-N 1 0 336.432 3.499 10 5 EGBERO CCc1ccc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779523 1383738378 /nfs/dbraw/zinc/73/83/78/1383738378.db2.gz UAYFANXCPGKICD-QGZVFWFLSA-N 1 0 340.427 3.281 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001168336574 1383876781 /nfs/dbraw/zinc/87/67/81/1383876781.db2.gz AOPAMFXBOSYHOD-HUUCEWRRSA-N 1 0 345.443 3.123 10 5 EGBERO C[C@H](Nc1c2cc(F)ccc2ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC001306971053 1383928048 /nfs/dbraw/zinc/92/80/48/1383928048.db2.gz ABCRVSBGAUVKCA-NSHDSACASA-N 1 0 334.395 3.092 10 5 EGBERO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307670344 1384010856 /nfs/dbraw/zinc/01/08/56/1384010856.db2.gz RAHOISPNNNOVNE-HIFRSBDPSA-N 1 0 335.423 3.477 10 5 EGBERO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C(C)C ZINC001307669797 1384011057 /nfs/dbraw/zinc/01/10/57/1384011057.db2.gz ZLSURKMBJPLDSP-CYBMUJFWSA-N 1 0 331.210 3.118 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC001176028242 1385464943 /nfs/dbraw/zinc/46/49/43/1385464943.db2.gz LBPRNHWDACASJI-SNVBAGLBSA-N 1 0 335.310 3.162 10 5 EGBERO CCN(C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CC[N@H+](C)C1 ZINC001345466849 1390861389 /nfs/dbraw/zinc/86/13/89/1390861389.db2.gz UOMGPWCCEDNPGP-CYBMUJFWSA-N 1 0 342.399 3.306 10 5 EGBERO CC1(C)CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001347598549 1391097822 /nfs/dbraw/zinc/09/78/22/1391097822.db2.gz WTDFAJFDVOMUMZ-CVEARBPZSA-N 1 0 345.443 3.077 10 5 EGBERO CC1(C)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001351005073 1391579569 /nfs/dbraw/zinc/57/95/69/1391579569.db2.gz JKFWKDOVJHQVQR-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO CC(C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1)=C1CCCC1 ZINC001481219141 1393150513 /nfs/dbraw/zinc/15/05/13/1393150513.db2.gz PLJOQSAGZIJBBT-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC1(NC(=O)CCC2CC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001483964003 1395165723 /nfs/dbraw/zinc/16/57/23/1395165723.db2.gz OHTJRTLXVNMJHM-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CCC(=CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)CC ZINC001690332086 1404480705 /nfs/dbraw/zinc/48/07/05/1404480705.db2.gz PRVQDLKVITXYKW-IYBDPMFKSA-N 1 0 331.416 3.078 10 5 EGBERO CCC[N@H+](CCNC(=O)C1(C)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691187888 1405125885 /nfs/dbraw/zinc/12/58/85/1405125885.db2.gz ZBMRLRMXAFTYFQ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715295018 1420002303 /nfs/dbraw/zinc/00/23/03/1420002303.db2.gz JNDDGWZYAOSTKX-LZWSPWQCSA-N 1 0 331.416 3.080 10 5 EGBERO CC(C)C(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716683899 1420837950 /nfs/dbraw/zinc/83/79/50/1420837950.db2.gz UVMAZYCAXOXYAA-UHFFFAOYSA-N 1 0 333.432 3.015 10 5 EGBERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000174464577 231214928 /nfs/dbraw/zinc/21/49/28/231214928.db2.gz PSFRLSGSXDZFKO-QWRGUYRKSA-N 1 0 340.811 3.195 10 5 EGBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccc(F)cc1 ZINC000055022798 201133344 /nfs/dbraw/zinc/13/33/44/201133344.db2.gz XDWQVYVNNVCZMN-UHFFFAOYSA-N 1 0 345.374 3.237 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246052838 243186964 /nfs/dbraw/zinc/18/69/64/243186964.db2.gz QGDLOKDGTJVWBO-ZFWWWQNUSA-N 1 0 334.420 3.097 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000122426174 204867331 /nfs/dbraw/zinc/86/73/31/204867331.db2.gz FRMINEZHGVXYSO-ABAIWWIYSA-N 1 0 339.823 3.051 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000127381456 205098444 /nfs/dbraw/zinc/09/84/44/205098444.db2.gz ORWYWWWWOBOTSW-BXUZGUMPSA-N 1 0 339.823 3.051 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000130559958 205244357 /nfs/dbraw/zinc/24/43/57/205244357.db2.gz JWJVHKGKCYRHER-IRXDYDNUSA-N 1 0 330.384 3.378 10 5 EGBERO Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000265298814 247382782 /nfs/dbraw/zinc/38/27/82/247382782.db2.gz MBUUOFNDIJLPNJ-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000378302108 169098112 /nfs/dbraw/zinc/09/81/12/169098112.db2.gz UCILRXWHBXSHHR-ZWKOTPCHSA-N 1 0 347.365 3.408 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000175005418 207083278 /nfs/dbraw/zinc/08/32/78/207083278.db2.gz MAMFJYYIYRUZCN-CHWSQXEVSA-N 1 0 349.456 3.016 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192712467 533022826 /nfs/dbraw/zinc/02/28/26/533022826.db2.gz KUOLTEKUNUKXDF-ZWKOTPCHSA-N 1 0 342.395 3.304 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000337825398 141062383 /nfs/dbraw/zinc/06/23/83/141062383.db2.gz XBFXJWMYTJLJHI-WMLDXEAASA-N 1 0 348.447 3.077 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000338046040 141080734 /nfs/dbraw/zinc/08/07/34/141080734.db2.gz JGBBYAMZYMCDFH-FZKQIMNGSA-N 1 0 333.432 3.144 10 5 EGBERO CN(CCc1cccc([N+](=O)[O-])c1)Cc1noc(-c2ccccc2)n1 ZINC000338363734 141108161 /nfs/dbraw/zinc/10/81/61/141108161.db2.gz WQSLKHNTLQHTGF-UHFFFAOYSA-N 1 0 338.367 3.319 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175289021 144061523 /nfs/dbraw/zinc/06/15/23/144061523.db2.gz JEHGFBWBGOQGOW-AEFFLSMTSA-N 1 0 347.459 3.441 10 5 EGBERO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCc2cccnc21 ZINC000126939424 162318436 /nfs/dbraw/zinc/31/84/36/162318436.db2.gz IHGTVQOFEWKOHB-INIZCTEOSA-N 1 0 343.431 3.222 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344031716 164086938 /nfs/dbraw/zinc/08/69/38/164086938.db2.gz CVCWZTRQBUQUHX-KGLIPLIRSA-N 1 0 347.415 3.219 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344084178 164099481 /nfs/dbraw/zinc/09/94/81/164099481.db2.gz GDEHTAYDTVZCPT-HNNXBMFYSA-N 1 0 331.416 3.354 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(F)c1 ZINC000350313181 165028380 /nfs/dbraw/zinc/02/83/80/165028380.db2.gz YGFKJUAWOQEXCF-CYBMUJFWSA-N 1 0 340.420 3.268 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000352094367 165232355 /nfs/dbraw/zinc/23/23/55/165232355.db2.gz ZNEWZOCXXRFYSH-ROUUACIJSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359538906 167184639 /nfs/dbraw/zinc/18/46/39/167184639.db2.gz BDOLCLLMRBRHNB-HBUWYVDXSA-N 1 0 331.416 3.434 10 5 EGBERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000359555630 167192071 /nfs/dbraw/zinc/19/20/71/167192071.db2.gz KVGZKWNVLNFZLB-BBRMVZONSA-N 1 0 345.399 3.355 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366674203 168129035 /nfs/dbraw/zinc/12/90/35/168129035.db2.gz ZBUXDYNGKKCPGT-WBVHZDCISA-N 1 0 345.443 3.174 10 5 EGBERO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000158126053 275035470 /nfs/dbraw/zinc/03/54/70/275035470.db2.gz YZSCFARSNVFQMY-AWEZNQCLSA-N 1 0 343.349 3.284 10 5 EGBERO CS[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275040162 275250999 /nfs/dbraw/zinc/25/09/99/275250999.db2.gz GTNJTVUPFDAVRU-KBRIMQKVSA-N 1 0 335.473 3.167 10 5 EGBERO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286868051 276051859 /nfs/dbraw/zinc/05/18/59/276051859.db2.gz HQFAVWQKOOKVDP-GFCCVEGCSA-N 1 0 347.419 3.166 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000287458022 276121579 /nfs/dbraw/zinc/12/15/79/276121579.db2.gz RXHJJNXUGDAARQ-LBPRGKRZSA-N 1 0 347.444 3.054 10 5 EGBERO CC[NH2+]CC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000130024324 276264495 /nfs/dbraw/zinc/26/44/95/276264495.db2.gz CPYPVCXQDUKYNS-UHFFFAOYSA-N 1 0 342.237 3.183 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000289438160 276339185 /nfs/dbraw/zinc/33/91/85/276339185.db2.gz AIYZGOMWWWEJBR-MOPGFXCFSA-N 1 0 326.396 3.159 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000289760183 276389561 /nfs/dbraw/zinc/38/95/61/276389561.db2.gz KLQPAQYAEMOOBN-MRXNPFEDSA-N 1 0 346.431 3.249 10 5 EGBERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185417837 279305802 /nfs/dbraw/zinc/30/58/02/279305802.db2.gz UROGJGAMENHTQS-GFCCVEGCSA-N 1 0 339.823 3.243 10 5 EGBERO CN(C)C(=O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000414484564 309083628 /nfs/dbraw/zinc/08/36/28/309083628.db2.gz JWUBHMGMCWIOON-UHFFFAOYSA-N 1 0 345.424 3.034 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295621260 308344281 /nfs/dbraw/zinc/34/42/81/308344281.db2.gz DZBZXJHWUJNJAB-UHFFFAOYSA-N 1 0 334.416 3.121 10 5 EGBERO CCn1ccnc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295836770 308365379 /nfs/dbraw/zinc/36/53/79/308365379.db2.gz AFZPKYOZEVHSKA-HOCLYGCPSA-N 1 0 328.416 3.312 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](O)CC34CCC4)co2)cc1 ZINC000420988915 309306272 /nfs/dbraw/zinc/30/62/72/309306272.db2.gz BETPSVPVRXXFNH-INIZCTEOSA-N 1 0 343.383 3.129 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000421486237 309326767 /nfs/dbraw/zinc/32/67/67/309326767.db2.gz WZHLOVFMIXJUSD-HOCLYGCPSA-N 1 0 333.432 3.014 10 5 EGBERO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365228 309397145 /nfs/dbraw/zinc/39/71/45/309397145.db2.gz DAEVKQXCYHJCAF-ZMYBRWDISA-N 1 0 325.412 3.272 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](NCCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000423545003 309405784 /nfs/dbraw/zinc/40/57/84/309405784.db2.gz DIESEALUCFUIBM-LJQANCHMSA-N 1 0 325.412 3.416 10 5 EGBERO C[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942522 309495217 /nfs/dbraw/zinc/49/52/17/309495217.db2.gz FTVATWJGNWTZJW-HNAYVOBHSA-N 1 0 327.428 3.472 10 5 EGBERO Cc1cc([N+](=O)[O-])cnc1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000432924628 309673319 /nfs/dbraw/zinc/67/33/19/309673319.db2.gz MXDGQRWKXVKZND-OAHLLOKOSA-N 1 0 328.372 3.427 10 5 EGBERO CCC[NH+]1CCC(CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450290429 310113509 /nfs/dbraw/zinc/11/35/09/310113509.db2.gz CVYCVWBCXTVABL-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450419159 310121474 /nfs/dbraw/zinc/12/14/74/310121474.db2.gz NLAXKBAJSJZZKZ-LSDHHAIUSA-N 1 0 326.400 3.089 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)n1 ZINC000450887252 310147811 /nfs/dbraw/zinc/14/78/11/310147811.db2.gz XSZAEJUYWAZXEO-UHFFFAOYSA-N 1 0 342.399 3.170 10 5 EGBERO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000451109719 310161164 /nfs/dbraw/zinc/16/11/64/310161164.db2.gz YRCLSCRKZHDLIY-STQMWFEESA-N 1 0 345.374 3.262 10 5 EGBERO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000451630812 310190131 /nfs/dbraw/zinc/19/01/31/310190131.db2.gz UKHJUMMAISAFIO-CVEARBPZSA-N 1 0 346.427 3.385 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000468748402 310693123 /nfs/dbraw/zinc/69/31/23/310693123.db2.gz QMJCIOKCSCAUSE-BXBOZWQASA-N 1 0 326.396 3.364 10 5 EGBERO CCN(CCC[NH+]1CCCC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487727435 311035623 /nfs/dbraw/zinc/03/56/23/311035623.db2.gz JGMXAHYRVODTOX-UHFFFAOYSA-N 1 0 328.416 3.455 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000491999875 311207249 /nfs/dbraw/zinc/20/72/49/311207249.db2.gz NIPAWTJSGMVYRE-HNNXBMFYSA-N 1 0 329.375 3.411 10 5 EGBERO CC[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000493131288 311331981 /nfs/dbraw/zinc/33/19/81/311331981.db2.gz JRHGXXHNRHYMJN-KRWDZBQOSA-N 1 0 348.447 3.029 10 5 EGBERO C[NH2+]C(C)(C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000533174200 313878864 /nfs/dbraw/zinc/87/88/64/313878864.db2.gz PTHODARUIDANND-UHFFFAOYSA-N 1 0 327.384 3.236 10 5 EGBERO CC(C)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538812760 314278234 /nfs/dbraw/zinc/27/82/34/314278234.db2.gz FGXWRVKEJROFOJ-HNNXBMFYSA-N 1 0 328.416 3.473 10 5 EGBERO C[C@H](Cc1ccccc1F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554527526 315328091 /nfs/dbraw/zinc/32/80/91/315328091.db2.gz BUOQDDDWKCNOPR-CYBMUJFWSA-N 1 0 345.374 3.283 10 5 EGBERO COc1cc(C[NH2+]CC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000563411720 316017305 /nfs/dbraw/zinc/01/73/05/316017305.db2.gz OTYLYMFEHMRETJ-UHFFFAOYSA-N 1 0 336.310 3.290 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@](C)(CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000570131488 317010854 /nfs/dbraw/zinc/01/08/54/317010854.db2.gz NXUWPEBXODVEHC-GOSISDBHSA-N 1 0 348.399 3.360 10 5 EGBERO C[C@H](c1nc(-c2ccn3c[nH+]cc3c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000570557591 317072655 /nfs/dbraw/zinc/07/26/55/317072655.db2.gz QLYUCPYTDZZLLC-NSHDSACASA-N 1 0 335.323 3.444 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000183308829 455275491 /nfs/dbraw/zinc/27/54/91/455275491.db2.gz QLUURERDRVVGLJ-GOSISDBHSA-N 1 0 334.416 3.063 10 5 EGBERO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245392595 455284579 /nfs/dbraw/zinc/28/45/79/455284579.db2.gz UJTAUMFQYNODGL-CABCVRRESA-N 1 0 333.432 3.140 10 5 EGBERO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245396869 455286235 /nfs/dbraw/zinc/28/62/35/455286235.db2.gz MYWXLZRLDVHHSV-CZUORRHYSA-N 1 0 347.415 3.197 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000600707448 460574885 /nfs/dbraw/zinc/57/48/85/460574885.db2.gz HPZVFFYXCHDDAH-BBRMVZONSA-N 1 0 335.473 3.340 10 5 EGBERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000600771000 460595964 /nfs/dbraw/zinc/59/59/64/460595964.db2.gz FOYJXXFCTJMRQX-KDURUIRLSA-N 1 0 341.411 3.286 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000058157581 454165467 /nfs/dbraw/zinc/16/54/67/454165467.db2.gz LHBQGRCCMWCGSK-NSHDSACASA-N 1 0 347.346 3.032 10 5 EGBERO CCc1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090550561 454319900 /nfs/dbraw/zinc/31/99/00/454319900.db2.gz BFAWUPRBHHLKOR-MRXNPFEDSA-N 1 0 345.399 3.139 10 5 EGBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000121940211 454496716 /nfs/dbraw/zinc/49/67/16/454496716.db2.gz JYONWYPRMMQWSQ-KRWDZBQOSA-N 1 0 343.431 3.024 10 5 EGBERO Cc1c(C[NH+]2CCC(Cc3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000105876570 454662345 /nfs/dbraw/zinc/66/23/45/454662345.db2.gz FVSZPFZYVBGLLW-UHFFFAOYSA-N 1 0 328.416 3.091 10 5 EGBERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000106207143 454685012 /nfs/dbraw/zinc/68/50/12/454685012.db2.gz COUVITVJUYDCGC-QGZVFWFLSA-N 1 0 344.415 3.161 10 5 EGBERO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccsc1 ZINC000124120774 454700235 /nfs/dbraw/zinc/70/02/35/454700235.db2.gz KUIIHINCBPTNMR-CQSZACIVSA-N 1 0 326.805 3.307 10 5 EGBERO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286620 454724051 /nfs/dbraw/zinc/72/40/51/454724051.db2.gz MZBSOHTYFLRTAT-HIFRSBDPSA-N 1 0 332.404 3.420 10 5 EGBERO CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000106866966 454725180 /nfs/dbraw/zinc/72/51/80/454725180.db2.gz TXAQVNROGQHPMI-OAHLLOKOSA-N 1 0 349.431 3.123 10 5 EGBERO C[C@H](C(=O)Nc1cccc(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153033646 454754029 /nfs/dbraw/zinc/75/40/29/454754029.db2.gz KQYMXZZOHVORTB-GFCCVEGCSA-N 1 0 343.358 3.119 10 5 EGBERO CCc1ccc(NC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153125154 454762785 /nfs/dbraw/zinc/76/27/85/454762785.db2.gz HXHGCBJZADCFMO-UHFFFAOYSA-N 1 0 339.395 3.154 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000162518353 454781342 /nfs/dbraw/zinc/78/13/42/454781342.db2.gz KEXDHSSFWXLCGU-LSDHHAIUSA-N 1 0 349.431 3.346 10 5 EGBERO COc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000153504419 454801187 /nfs/dbraw/zinc/80/11/87/454801187.db2.gz UQTPYNJSTXRDRW-UHFFFAOYSA-N 1 0 334.416 3.242 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000184940398 455475464 /nfs/dbraw/zinc/47/54/64/455475464.db2.gz NZZWBUMMROZFHH-UZUQRXQVSA-N 1 0 332.425 3.113 10 5 EGBERO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266862085 455464739 /nfs/dbraw/zinc/46/47/39/455464739.db2.gz LFUAJOJRSDWURR-AWEZNQCLSA-N 1 0 327.384 3.299 10 5 EGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122549 455135080 /nfs/dbraw/zinc/13/50/80/455135080.db2.gz AIICQQSRKUISSK-BBOMDTFKSA-N 1 0 326.400 3.278 10 5 EGBERO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC12CCCCC2 ZINC000612578793 460667605 /nfs/dbraw/zinc/66/76/05/460667605.db2.gz IYGUWTKXLJDBFD-UHFFFAOYSA-N 1 0 345.443 3.270 10 5 EGBERO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000159911610 455414393 /nfs/dbraw/zinc/41/43/93/455414393.db2.gz JNCYVIJRMUEXFS-UHFFFAOYSA-N 1 0 335.429 3.383 10 5 EGBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185350931 455546501 /nfs/dbraw/zinc/54/65/01/455546501.db2.gz DLRIAHWIZACKHA-INIZCTEOSA-N 1 0 333.388 3.089 10 5 EGBERO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000247921115 455654487 /nfs/dbraw/zinc/65/44/87/455654487.db2.gz BWKCMRNQBBQJRX-ROUUACIJSA-N 1 0 339.395 3.078 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000248634321 455723916 /nfs/dbraw/zinc/72/39/16/455723916.db2.gz JRIUCJMDLPPVGQ-XOKHGSTOSA-N 1 0 334.416 3.220 10 5 EGBERO CCC[N@H+](CC)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278031118 455738687 /nfs/dbraw/zinc/73/86/87/455738687.db2.gz RAXXWBNWGKDFGJ-UHFFFAOYSA-N 1 0 327.812 3.018 10 5 EGBERO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)F ZINC000296391374 455926114 /nfs/dbraw/zinc/92/61/14/455926114.db2.gz KCFGSNOYYMWMCH-IHRRRGAJSA-N 1 0 328.359 3.311 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)F ZINC000296391350 455926558 /nfs/dbraw/zinc/92/65/58/455926558.db2.gz KCFGSNOYYMWMCH-BFHYXJOUSA-N 1 0 328.359 3.311 10 5 EGBERO CC[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272665749 456031564 /nfs/dbraw/zinc/03/15/64/456031564.db2.gz OADFNRKESWZLLK-INIZCTEOSA-N 1 0 348.447 3.077 10 5 EGBERO C[C@H]1C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000302028735 456271602 /nfs/dbraw/zinc/27/16/02/456271602.db2.gz JCGACFZYHDAAGJ-WMLDXEAASA-N 1 0 341.411 3.162 10 5 EGBERO O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000302039286 456273727 /nfs/dbraw/zinc/27/37/27/456273727.db2.gz NBKVOWAJGOTVQF-KRWDZBQOSA-N 1 0 341.411 3.164 10 5 EGBERO COc1cc(CN2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352780083 456299699 /nfs/dbraw/zinc/29/96/99/456299699.db2.gz ROTIQSKPQQQMBO-QGZVFWFLSA-N 1 0 342.395 3.047 10 5 EGBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275876814 456339055 /nfs/dbraw/zinc/33/90/55/456339055.db2.gz WCVKDPSIQZCGQK-OAHLLOKOSA-N 1 0 349.434 3.260 10 5 EGBERO C[C@H](CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000352849327 456362310 /nfs/dbraw/zinc/36/23/10/456362310.db2.gz OMISPJPDBLHKLS-OSDILXSKSA-N 1 0 346.452 3.431 10 5 EGBERO Cc1cccc2[nH]c(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)cc21 ZINC000601148605 460730459 /nfs/dbraw/zinc/73/04/59/460730459.db2.gz FFIZGVLTNYJKHY-IBGZPJMESA-N 1 0 339.395 3.382 10 5 EGBERO CC(C)Oc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601148628 460730759 /nfs/dbraw/zinc/73/07/59/460730759.db2.gz FWYXBQKBFADYLE-IBGZPJMESA-N 1 0 344.411 3.379 10 5 EGBERO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000353105674 456492626 /nfs/dbraw/zinc/49/26/26/456492626.db2.gz BOEJJJHLLUZRBP-ONGXEEELSA-N 1 0 348.321 3.433 10 5 EGBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000310279218 456581508 /nfs/dbraw/zinc/58/15/08/456581508.db2.gz VRPUSMITKVTBDC-RBSFLKMASA-N 1 0 344.440 3.374 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000326716494 456697519 /nfs/dbraw/zinc/69/75/19/456697519.db2.gz PRZIOZUDFJIFLD-BRWVUGGUSA-N 1 0 334.416 3.119 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])s3)cccc21 ZINC000345520777 456980871 /nfs/dbraw/zinc/98/08/71/456980871.db2.gz KFDSDRWRVWABIF-LBPRGKRZSA-N 1 0 347.396 3.294 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000330389249 457038160 /nfs/dbraw/zinc/03/81/60/457038160.db2.gz DVTBZRZNDOQKFY-ZDUSSCGKSA-N 1 0 333.432 3.144 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000359096908 457053380 /nfs/dbraw/zinc/05/33/80/457053380.db2.gz LEGCGGVHCPIJLU-RDJZCZTQSA-N 1 0 326.400 3.464 10 5 EGBERO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722881 457478922 /nfs/dbraw/zinc/47/89/22/457478922.db2.gz DQWIVUFIZQYWDJ-CABCVRRESA-N 1 0 349.431 3.060 10 5 EGBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000426373700 457813312 /nfs/dbraw/zinc/81/33/12/457813312.db2.gz UFQAJTZPLYEANF-LCYFTJDESA-N 1 0 325.368 3.157 10 5 EGBERO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000358308786 457924098 /nfs/dbraw/zinc/92/40/98/457924098.db2.gz ZMBKTHDCBYCYQK-CJNGLKHVSA-N 1 0 328.368 3.476 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000436280375 458282864 /nfs/dbraw/zinc/28/28/64/458282864.db2.gz CVGMILDDLVZHJW-IXDOHACOSA-N 1 0 346.427 3.237 10 5 EGBERO Cc1ccc(C)c(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000429287790 458309178 /nfs/dbraw/zinc/30/91/78/458309178.db2.gz ATMYSAYYWVGMNA-KRWDZBQOSA-N 1 0 344.411 3.083 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437853896 458502814 /nfs/dbraw/zinc/50/28/14/458502814.db2.gz PJVPOYQBXUUFPY-KRWDZBQOSA-N 1 0 345.443 3.430 10 5 EGBERO O=[N+]([O-])c1cc2ccccc2nc1Nc1ccc(N2CCCC2)nc1 ZINC000473506280 458831206 /nfs/dbraw/zinc/83/12/06/458831206.db2.gz HCZOSQJLCAOCOW-UHFFFAOYSA-N 1 0 335.367 3.304 10 5 EGBERO COC(=O)c1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000474773614 458900096 /nfs/dbraw/zinc/90/00/96/458900096.db2.gz JTIVKFICOYDCMO-AWEZNQCLSA-N 1 0 349.431 3.080 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000475153435 458925139 /nfs/dbraw/zinc/92/51/39/458925139.db2.gz BCSNWXSXKUEODO-DLBZAZTESA-N 1 0 345.443 3.288 10 5 EGBERO Cc1ccnc([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000566429615 458930467 /nfs/dbraw/zinc/93/04/67/458930467.db2.gz XRFYZDYJNQQHIU-OAHLLOKOSA-N 1 0 327.384 3.167 10 5 EGBERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000441636309 458966146 /nfs/dbraw/zinc/96/61/46/458966146.db2.gz RPLKGYPTDQHUPQ-MRXNPFEDSA-N 1 0 333.432 3.458 10 5 EGBERO COc1c(C)cccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594513041 459070890 /nfs/dbraw/zinc/07/08/90/459070890.db2.gz ZQDNWKKSZBPAEN-HOTGVXAUSA-N 1 0 344.415 3.382 10 5 EGBERO C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589109 459098927 /nfs/dbraw/zinc/09/89/27/459098927.db2.gz HWYMNHGRYISIMG-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO CCOC(=O)CC(C)(C)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558100545 459131295 /nfs/dbraw/zinc/13/12/95/459131295.db2.gz MJEIKQGXGSQPFO-UHFFFAOYSA-N 1 0 334.416 3.322 10 5 EGBERO Cc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000594738107 459146543 /nfs/dbraw/zinc/14/65/43/459146543.db2.gz HHUFBNZWLOXBJI-QZTJIDSGSA-N 1 0 325.412 3.139 10 5 EGBERO COc1ccc(CNCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000521813806 459178057 /nfs/dbraw/zinc/17/80/57/459178057.db2.gz ADTMHWANIQTWIM-HUUCEWRRSA-N 1 0 349.475 3.450 10 5 EGBERO Cn1cc(C[NH2+]C[C@]2(C)CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988042 459206182 /nfs/dbraw/zinc/20/61/82/459206182.db2.gz YCXHLJNUEAULSM-HNNXBMFYSA-N 1 0 336.342 3.130 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CF)CCOCC1 ZINC000595041655 459226068 /nfs/dbraw/zinc/22/60/68/459226068.db2.gz NPJFFVOELPIIPY-LBPRGKRZSA-N 1 0 326.368 3.020 10 5 EGBERO CC(C)(C)N1CC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054021 459229244 /nfs/dbraw/zinc/22/92/44/459229244.db2.gz MSIGBOACUPAOJH-DLBZAZTESA-N 1 0 331.460 3.378 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595058346 459230195 /nfs/dbraw/zinc/23/01/95/459230195.db2.gz ACFXTBBLYVYESP-KKBFJZEXSA-N 1 0 336.432 3.120 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000595076774 459238564 /nfs/dbraw/zinc/23/85/64/459238564.db2.gz JOPQJQQTCZJSPA-XJIUQZFPSA-N 1 0 331.416 3.338 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595087896 459240932 /nfs/dbraw/zinc/24/09/32/459240932.db2.gz TVHJJWXXMHMVPY-QANKJYHBSA-N 1 0 328.416 3.390 10 5 EGBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CC3(O)CCSCC3)C2)cc1 ZINC000595524732 459334323 /nfs/dbraw/zinc/33/43/23/459334323.db2.gz OHEZWGCUFQMGCZ-HNNXBMFYSA-N 1 0 336.457 3.032 10 5 EGBERO O=[N+]([O-])c1ccccc1CN(Cc1cncs1)[C@H]1CC[C@H](O)CC1 ZINC000595564258 459348286 /nfs/dbraw/zinc/34/82/86/459348286.db2.gz WWFLBEMVJVQSNH-SHTZXODSSA-N 1 0 347.440 3.357 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591306216 459350934 /nfs/dbraw/zinc/35/09/34/459350934.db2.gz OYLMEUXOPPQIJS-GFCCVEGCSA-N 1 0 334.420 3.156 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC1CC1)CC1CC1 ZINC000595871488 459468512 /nfs/dbraw/zinc/46/85/12/459468512.db2.gz PJYVSFBDEBGXAL-UHFFFAOYSA-N 1 0 331.416 3.354 10 5 EGBERO Cc1nccnc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569646926 459484897 /nfs/dbraw/zinc/48/48/97/459484897.db2.gz GDYUFFLMHOVWLF-NSHDSACASA-N 1 0 325.372 3.068 10 5 EGBERO C[NH+]1CCC([C@@H]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)CC1 ZINC000591924437 459487866 /nfs/dbraw/zinc/48/78/66/459487866.db2.gz NKIUFZNKDVKAOR-MRXNPFEDSA-N 1 0 344.459 3.037 10 5 EGBERO Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000525964808 459522059 /nfs/dbraw/zinc/52/20/59/459522059.db2.gz DGYFTTGNYWSEBQ-UHFFFAOYSA-N 1 0 334.420 3.289 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000596252579 459576122 /nfs/dbraw/zinc/57/61/22/459576122.db2.gz NLRSMEFGEJLPKQ-UHFFFAOYSA-N 1 0 340.427 3.365 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)NCc1cccs1 ZINC000592374530 459583669 /nfs/dbraw/zinc/58/36/69/459583669.db2.gz KQPIBDIDXWEADV-INIZCTEOSA-N 1 0 347.440 3.149 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255800 459629084 /nfs/dbraw/zinc/62/90/84/459629084.db2.gz ZLOOTIDIBCOAHD-CVEARBPZSA-N 1 0 336.432 3.222 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596913411 459794570 /nfs/dbraw/zinc/79/45/70/459794570.db2.gz XKIKMJRDEJDHTH-CQSZACIVSA-N 1 0 334.420 3.152 10 5 EGBERO CC[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000593370873 459869174 /nfs/dbraw/zinc/86/91/74/459869174.db2.gz OIUNKQFJFRGXKN-KRWDZBQOSA-N 1 0 348.447 3.173 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)cs2)c1 ZINC000597231239 459885282 /nfs/dbraw/zinc/88/52/82/459885282.db2.gz OXPPGRBZSDROSC-KBPBESRZSA-N 1 0 345.424 3.187 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000608907467 459893981 /nfs/dbraw/zinc/89/39/81/459893981.db2.gz JFMDQISCJTZRKP-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1(CO)CCC1 ZINC000593692155 459952892 /nfs/dbraw/zinc/95/28/92/459952892.db2.gz OXHHSZGXCWWEIH-NVXWUHKLSA-N 1 0 332.444 3.448 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc4ccccn34)c2c1 ZINC000588933648 460006948 /nfs/dbraw/zinc/00/69/48/460006948.db2.gz PRGOOMCEIAGKRG-UHFFFAOYSA-N 1 0 335.367 3.056 10 5 EGBERO CCn1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000588959778 460012081 /nfs/dbraw/zinc/01/20/81/460012081.db2.gz OVYSBPOWJYLSCJ-LBPRGKRZSA-N 1 0 327.388 3.186 10 5 EGBERO CC[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588965345 460012709 /nfs/dbraw/zinc/01/27/09/460012709.db2.gz OCAZQKXOYNCJHN-GOSISDBHSA-N 1 0 337.383 3.416 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000594019376 460058570 /nfs/dbraw/zinc/05/85/70/460058570.db2.gz IDLNIFPWGYZOCC-CZUORRHYSA-N 1 0 348.374 3.215 10 5 EGBERO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCCO1 ZINC000594040581 460069067 /nfs/dbraw/zinc/06/90/67/460069067.db2.gz HCADAKPZTLAKSE-CABCVRRESA-N 1 0 346.387 3.082 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594041971 460069119 /nfs/dbraw/zinc/06/91/19/460069119.db2.gz LDKHRADPCRERQU-PBHICJAKSA-N 1 0 349.431 3.169 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000589373495 460081358 /nfs/dbraw/zinc/08/13/58/460081358.db2.gz UHSNZPDRTDHNQM-UHFFFAOYSA-N 1 0 348.447 3.399 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000598889071 460085447 /nfs/dbraw/zinc/08/54/47/460085447.db2.gz SGBMJVJBDQGKIE-UHFFFAOYSA-N 1 0 339.461 3.167 10 5 EGBERO C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000598971821 460109705 /nfs/dbraw/zinc/10/97/05/460109705.db2.gz GGTUJUWEFGYIOA-AWEZNQCLSA-N 1 0 325.840 3.253 10 5 EGBERO CCC[N@H+](C)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599054129 460141754 /nfs/dbraw/zinc/14/17/54/460141754.db2.gz WRCNRGXIODWSRR-AWEZNQCLSA-N 1 0 328.416 3.311 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000599058230 460144493 /nfs/dbraw/zinc/14/44/93/460144493.db2.gz TTZVELPVRSBHRC-AHEZYBDSSA-N 1 0 340.427 3.444 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599073109 460151779 /nfs/dbraw/zinc/15/17/79/460151779.db2.gz DUVBJVLFWUVXDZ-CZUORRHYSA-N 1 0 333.432 3.271 10 5 EGBERO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000599087716 460157214 /nfs/dbraw/zinc/15/72/14/460157214.db2.gz FNEUSRKYGLHMMS-QGZVFWFLSA-N 1 0 345.443 3.210 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599621558 460289418 /nfs/dbraw/zinc/28/94/18/460289418.db2.gz FJRMFESWLLKSIE-MRXNPFEDSA-N 1 0 347.459 3.151 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599675619 460305214 /nfs/dbraw/zinc/30/52/14/460305214.db2.gz STGKNSIIIADLAE-UGSOOPFHSA-N 1 0 347.415 3.197 10 5 EGBERO Cc1sc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229948 460451409 /nfs/dbraw/zinc/45/14/09/460451409.db2.gz YQVUZCBXVODDRB-CYBMUJFWSA-N 1 0 337.445 3.102 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600314797 460471041 /nfs/dbraw/zinc/47/10/41/460471041.db2.gz PPJHOPBXLJBIMC-LBPRGKRZSA-N 1 0 339.823 3.018 10 5 EGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600471283 460500640 /nfs/dbraw/zinc/50/06/40/460500640.db2.gz KGCQPPJDXYUWLZ-OAHLLOKOSA-N 1 0 343.383 3.088 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000601217504 460754656 /nfs/dbraw/zinc/75/46/56/460754656.db2.gz IPZDOYWAJFUEJA-UHFFFAOYSA-N 1 0 338.839 3.488 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000601229190 460757740 /nfs/dbraw/zinc/75/77/40/460757740.db2.gz IERXPYSMZKASQZ-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000601229709 460758923 /nfs/dbraw/zinc/75/89/23/460758923.db2.gz YIMFNEQUFDYKJN-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000601743986 460888607 /nfs/dbraw/zinc/88/86/07/460888607.db2.gz HITCZIAHBDGNAS-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO Cc1scc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000601967443 460965698 /nfs/dbraw/zinc/96/56/98/460965698.db2.gz IWYYGBLIPVNUFR-UHFFFAOYSA-N 1 0 333.413 3.392 10 5 EGBERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000601975992 460967269 /nfs/dbraw/zinc/96/72/69/460967269.db2.gz OVOAHYOIEUYJBR-LBPRGKRZSA-N 1 0 347.440 3.318 10 5 EGBERO CC[S@](=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000733900140 575407556 /nfs/dbraw/zinc/40/75/56/575407556.db2.gz IYMANHLTZXBNQS-QFIPXVFZSA-N 1 0 338.454 3.182 10 5 EGBERO O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128851049 1293606592 /nfs/dbraw/zinc/60/65/92/1293606592.db2.gz HBMZGGRUILDVMX-STQMWFEESA-N 1 0 335.379 3.185 10 5 EGBERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872041709 1296693198 /nfs/dbraw/zinc/69/31/98/1296693198.db2.gz KIFFANMMJFYSNL-RMCADIOUSA-N 1 0 342.436 3.464 10 5 EGBERO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049236 1296700143 /nfs/dbraw/zinc/70/01/43/1296700143.db2.gz RBIZQJLJFYPPLZ-STQMWFEESA-N 1 0 338.379 3.113 10 5 EGBERO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075388 1296720083 /nfs/dbraw/zinc/72/00/83/1296720083.db2.gz AMIJZWIOVPVTCQ-HUBLWGQQSA-N 1 0 348.378 3.038 10 5 EGBERO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000872084167 1296723327 /nfs/dbraw/zinc/72/33/27/1296723327.db2.gz PVVPSTKRNQWRNG-QWRGUYRKSA-N 1 0 326.368 3.362 10 5 EGBERO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088220 1296727445 /nfs/dbraw/zinc/72/74/45/1296727445.db2.gz LZYIESMEPIYNNV-SNVBAGLBSA-N 1 0 332.322 3.325 10 5 EGBERO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129814 1296755026 /nfs/dbraw/zinc/75/50/26/1296755026.db2.gz WDTKQAOENMNFFT-HUUCEWRRSA-N 1 0 333.432 3.427 10 5 EGBERO Cc1nccnc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872132563 1296756837 /nfs/dbraw/zinc/75/68/37/1296756837.db2.gz GIKIFMJOJHACEW-AWEZNQCLSA-N 1 0 341.415 3.013 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151473 1296769010 /nfs/dbraw/zinc/76/90/10/1296769010.db2.gz KYFLGDHFSJFVCO-COPLHBTASA-N 1 0 331.338 3.033 10 5 EGBERO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000311239696 1297106556 /nfs/dbraw/zinc/10/65/56/1297106556.db2.gz YKPBFLUDHNPTGW-RYQLBKOJSA-N 1 0 338.411 3.312 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000312424988 1297116289 /nfs/dbraw/zinc/11/62/89/1297116289.db2.gz URVQYKWVEWWOHQ-LBPRGKRZSA-N 1 0 347.184 3.263 10 5 EGBERO O=[N+]([O-])c1cnc(NCC2C[NH+](Cc3ccccc3)C2)c(Cl)c1 ZINC000716220835 1298293510 /nfs/dbraw/zinc/29/35/10/1298293510.db2.gz LROJWONTUGXKGS-UHFFFAOYSA-N 1 0 332.791 3.187 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c(Cl)c1 ZINC000886239525 1303409802 /nfs/dbraw/zinc/40/98/02/1303409802.db2.gz YXSBZGPZPDQOGP-HNNXBMFYSA-N 1 0 338.766 3.081 10 5 EGBERO Cc1cc(Cl)c(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000913389829 1319022575 /nfs/dbraw/zinc/02/25/75/1319022575.db2.gz FRPWGGQXHIEMQV-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO C/C(=C\C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922171796 1322471666 /nfs/dbraw/zinc/47/16/66/1322471666.db2.gz MSFIADXGXGKNQR-CCEZHUSRSA-N 1 0 343.427 3.085 10 5 EGBERO CO[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCSC1 ZINC000922570928 1322559854 /nfs/dbraw/zinc/55/98/54/1322559854.db2.gz ANQXBLUPGGOEEG-KRWDZBQOSA-N 1 0 348.424 3.467 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000924385471 1323003782 /nfs/dbraw/zinc/00/37/82/1323003782.db2.gz GGPATGXNUIWSHG-TWGQIWQCSA-N 1 0 343.427 3.085 10 5 EGBERO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[N@@H+]1C1CC1 ZINC000859964927 1329120084 /nfs/dbraw/zinc/12/00/84/1329120084.db2.gz MJFFROZXUGQKAL-GXTWGEPZSA-N 1 0 339.395 3.103 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000931494472 1329130290 /nfs/dbraw/zinc/13/02/90/1329130290.db2.gz KAKIVOUJAAWURA-UHFFFAOYSA-N 1 0 336.436 3.209 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000931618392 1329154640 /nfs/dbraw/zinc/15/46/40/1329154640.db2.gz XIFJZKORMUPXDC-ALKREAHSSA-N 1 0 344.411 3.120 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N)ccn1 ZINC000925772240 1325293366 /nfs/dbraw/zinc/29/33/66/1325293366.db2.gz RBQFNHUSLXYCQR-ZDUSSCGKSA-N 1 0 332.429 3.233 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)cc1[N+](=O)[O-] ZINC000925854990 1325332050 /nfs/dbraw/zinc/33/20/50/1325332050.db2.gz FXDZFKAYBQRWJX-FZMZJTMJSA-N 1 0 331.338 3.238 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926922864 1327778813 /nfs/dbraw/zinc/77/88/13/1327778813.db2.gz MMCWWCYGBNNTGL-GHMZBOCLSA-N 1 0 349.328 3.411 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000927058691 1327834066 /nfs/dbraw/zinc/83/40/66/1327834066.db2.gz SWPYDNVERLBEKS-ZFZWDLNGSA-N 1 0 334.416 3.188 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000927063253 1327836674 /nfs/dbraw/zinc/83/66/74/1327836674.db2.gz ATBOHLFPOKYOEB-PMPSAXMXSA-N 1 0 341.415 3.337 10 5 EGBERO O=C(OCC12CCC[NH+](CCC1)C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000861356888 1329411879 /nfs/dbraw/zinc/41/18/79/1329411879.db2.gz DEJCAYAJYMWLJP-UHFFFAOYSA-N 1 0 343.383 3.109 10 5 EGBERO C[C@H](C(=O)OCC12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000861361427 1329412745 /nfs/dbraw/zinc/41/27/45/1329412745.db2.gz XOUVOAXHTLBSHT-AWEZNQCLSA-N 1 0 332.400 3.118 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCCC4(CC4)CC3)n2)c1 ZINC000863331745 1329547053 /nfs/dbraw/zinc/54/70/53/1329547053.db2.gz UPKDLCPIJLIQMH-UHFFFAOYSA-N 1 0 327.388 3.077 10 5 EGBERO CC(=O)NCC1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000865475250 1329702734 /nfs/dbraw/zinc/70/27/34/1329702734.db2.gz VKOFAGIOTYPJSE-UHFFFAOYSA-N 1 0 347.459 3.202 10 5 EGBERO Cc1ccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000865787150 1329738408 /nfs/dbraw/zinc/73/84/08/1329738408.db2.gz JKVPPDTUVVKQJN-UHFFFAOYSA-N 1 0 349.431 3.250 10 5 EGBERO CC(=O)c1cc(N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000866055086 1330060306 /nfs/dbraw/zinc/06/03/06/1330060306.db2.gz OVQOZVPVUDREJR-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000866390172 1330105621 /nfs/dbraw/zinc/10/56/21/1330105621.db2.gz SBFMUPSMNUMMAX-ONUMYQOESA-N 1 0 330.359 3.433 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1C(F)F ZINC000866567124 1330127636 /nfs/dbraw/zinc/12/76/36/1330127636.db2.gz JJZVTIZMFORFDI-VIFPVBQESA-N 1 0 342.321 3.126 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001195639711 1368463334 /nfs/dbraw/zinc/46/33/34/1368463334.db2.gz WPAUGEMHTSTPDR-IRXDYDNUSA-N 1 0 348.443 3.379 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001196253406 1368576627 /nfs/dbraw/zinc/57/66/27/1368576627.db2.gz DJMHGJGGVFXVFU-HNNXBMFYSA-N 1 0 332.400 3.394 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001197231319 1368768108 /nfs/dbraw/zinc/76/81/08/1368768108.db2.gz VYUVYAZRTXMZAC-NHYWBVRUSA-N 1 0 327.340 3.120 10 5 EGBERO CCc1ccc2c(c1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001198852474 1369129730 /nfs/dbraw/zinc/12/97/30/1369129730.db2.gz REUATKICOBAGLU-IBGZPJMESA-N 1 0 326.396 3.249 10 5 EGBERO Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)n1 ZINC001116394185 1370902038 /nfs/dbraw/zinc/90/20/38/1370902038.db2.gz NANQYNQVXIYLPP-UHFFFAOYSA-N 1 0 339.273 3.300 10 5 EGBERO CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC(C)(C)[NH2+]1 ZINC001124104125 1372673269 /nfs/dbraw/zinc/67/32/69/1372673269.db2.gz DYAXKRNPTJFNQX-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001136400964 1377389324 /nfs/dbraw/zinc/38/93/24/1377389324.db2.gz FYVWHXCYUVANEV-FUHWJXTLSA-N 1 0 345.443 3.349 10 5 EGBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001136937691 1377442906 /nfs/dbraw/zinc/44/29/06/1377442906.db2.gz UCOBVPRBPUDATM-UHFFFAOYSA-N 1 0 349.406 3.133 10 5 EGBERO CC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1cccc([N+](=O)[O-])c1 ZINC001137927971 1377646613 /nfs/dbraw/zinc/64/66/13/1377646613.db2.gz ZFXJDHFZXGGUNR-KBEGMRNHSA-N 1 0 345.443 3.283 10 5 EGBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001141503360 1378335363 /nfs/dbraw/zinc/33/53/63/1378335363.db2.gz PVLXBHTYWXWIRK-AWEZNQCLSA-N 1 0 333.432 3.067 10 5 EGBERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001142560171 1378459814 /nfs/dbraw/zinc/45/98/14/1378459814.db2.gz YFEJFRMTJWAJQP-GFCCVEGCSA-N 1 0 339.823 3.098 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001327568485 1388561179 /nfs/dbraw/zinc/56/11/79/1388561179.db2.gz BUEKPIIOTIJKBB-ASVHUPRUSA-N 1 0 347.415 3.066 10 5 EGBERO CCCC(=O)NC1(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001284821534 1380245530 /nfs/dbraw/zinc/24/55/30/1380245530.db2.gz IQCYWKDWAHEDII-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC001162356115 1382739834 /nfs/dbraw/zinc/73/98/34/1382739834.db2.gz QWKBFWVBNNFXIQ-CQSZACIVSA-N 1 0 342.443 3.487 10 5 EGBERO Cc1cc(N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001163663114 1383097952 /nfs/dbraw/zinc/09/79/52/1383097952.db2.gz TYMUSJCNBQPLFE-MRXNPFEDSA-N 1 0 343.402 3.405 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001163990314 1383143736 /nfs/dbraw/zinc/14/37/36/1383143736.db2.gz UPRFXADDUWXBIY-AWEZNQCLSA-N 1 0 331.803 3.269 10 5 EGBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001164352198 1383180069 /nfs/dbraw/zinc/18/00/69/1383180069.db2.gz ZOGNOKUWCJHLLC-UONOGXRCSA-N 1 0 338.839 3.342 10 5 EGBERO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001306965814 1383927139 /nfs/dbraw/zinc/92/71/39/1383927139.db2.gz ZPQBILVNZZVHDM-CQSZACIVSA-N 1 0 335.404 3.058 10 5 EGBERO Cc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC001307155964 1383946650 /nfs/dbraw/zinc/94/66/50/1383946650.db2.gz BMKXTPAUEDUNJN-UHFFFAOYSA-N 1 0 328.416 3.257 10 5 EGBERO Cc1cc(NCC2(c3ccccc3)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001307177519 1383950893 /nfs/dbraw/zinc/95/08/93/1383950893.db2.gz IDFYTRNDEGGUCJ-UHFFFAOYSA-N 1 0 340.427 3.374 10 5 EGBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H](C)C1 ZINC001307842817 1384041667 /nfs/dbraw/zinc/04/16/67/1384041667.db2.gz RTGVJBFDUJHHCY-ILXRZTDVSA-N 1 0 345.443 3.288 10 5 EGBERO Cc1csc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001308057871 1384082032 /nfs/dbraw/zinc/08/20/32/1384082032.db2.gz SQBOPVCYMIAKOV-LBPRGKRZSA-N 1 0 348.384 3.257 10 5 EGBERO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC001170290217 1384282948 /nfs/dbraw/zinc/28/29/48/1384282948.db2.gz HMDSBEBYTAFWLC-HZPDHXFCSA-N 1 0 338.452 3.159 10 5 EGBERO Cc1ccc(CC2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)cc1C ZINC001170827820 1384393505 /nfs/dbraw/zinc/39/35/05/1384393505.db2.gz XWWLPVNFEBWBDH-UHFFFAOYSA-N 1 0 342.443 3.400 10 5 EGBERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001316620988 1384486630 /nfs/dbraw/zinc/48/66/30/1384486630.db2.gz KMAJGTYFJKXRSV-IYBDPMFKSA-N 1 0 345.443 3.160 10 5 EGBERO CC[N@H+](CCNC(=O)CC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317474001 1385169856 /nfs/dbraw/zinc/16/98/56/1385169856.db2.gz DJRKOEHLYFDGGN-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC(C)c1ccc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001177531807 1385987781 /nfs/dbraw/zinc/98/77/81/1385987781.db2.gz GPYRXWVBVLRHHJ-AWEZNQCLSA-N 1 0 333.432 3.132 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccco1 ZINC001319332963 1386064727 /nfs/dbraw/zinc/06/47/27/1386064727.db2.gz ZHOROYYYVYGEKW-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC2(CC2(F)F)C1 ZINC001329583224 1389167026 /nfs/dbraw/zinc/16/70/26/1389167026.db2.gz CHTVXMRRJVNJSC-CKQAKLJMSA-N 1 0 339.342 3.089 10 5 EGBERO CC1(CC(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC001698799353 1406472695 /nfs/dbraw/zinc/47/26/95/1406472695.db2.gz UHKLTFATYLYHQA-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001479366991 1392226045 /nfs/dbraw/zinc/22/60/45/1392226045.db2.gz ALEGKGJKVUGDIK-NNUKFRKNSA-N 1 0 349.456 3.141 10 5 EGBERO CC(C)=CC(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001479862527 1392440534 /nfs/dbraw/zinc/44/05/34/1392440534.db2.gz DEHYMANNCANDJH-UHFFFAOYSA-N 1 0 331.416 3.032 10 5 EGBERO CCC(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001491067646 1394417574 /nfs/dbraw/zinc/41/75/74/1394417574.db2.gz QBTVOHHZTJVAGQ-IYBDPMFKSA-N 1 0 333.432 3.158 10 5 EGBERO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001482212455 1394805869 /nfs/dbraw/zinc/80/58/69/1394805869.db2.gz YFWNXOMYRDXKPT-UUASQNMZSA-N 1 0 345.443 3.470 10 5 EGBERO Cc1coc(C)c1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001698987335 1406771834 /nfs/dbraw/zinc/77/18/34/1406771834.db2.gz NMNRPPCPUFXNKU-UHFFFAOYSA-N 1 0 345.399 3.009 10 5 EGBERO CCC[N@H+](CCNC(=O)c1cocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691188846 1405126924 /nfs/dbraw/zinc/12/69/24/1405126924.db2.gz IWUVZBAABRYQNY-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCCCC1 ZINC001691458939 1405282177 /nfs/dbraw/zinc/28/21/77/1405282177.db2.gz MEEBWVIDYIZKFF-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC(C)CC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001732221750 1428470635 /nfs/dbraw/zinc/47/06/35/1428470635.db2.gz TZRORZSOGOBFOW-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CCC(CC)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001700126913 1413541945 /nfs/dbraw/zinc/54/19/45/1413541945.db2.gz JFBQIOGIMDVHNB-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CCc1occc1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001707370046 1417298025 /nfs/dbraw/zinc/29/80/25/1417298025.db2.gz AJSQOOZTFGXDJK-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO CC1(CC(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)CC1 ZINC001714497899 1419222765 /nfs/dbraw/zinc/22/27/65/1419222765.db2.gz WFBNYOPOWXHHAO-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001716211095 1420567356 /nfs/dbraw/zinc/56/73/56/1420567356.db2.gz HIIODAFXFUJXPX-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCCC1 ZINC001717203788 1421173205 /nfs/dbraw/zinc/17/32/05/1421173205.db2.gz FIWCUMBRXUCKMN-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CCCCC(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001717697897 1421571023 /nfs/dbraw/zinc/57/10/23/1421571023.db2.gz IDPYVQBNHROMRS-UHFFFAOYSA-N 1 0 339.461 3.269 10 5 EGBERO CC(C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)=C1CCCC1 ZINC001723508044 1424444478 /nfs/dbraw/zinc/44/44/78/1424444478.db2.gz JXPJMEJCUJLDAV-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO C/C(=C\C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001724842485 1425191431 /nfs/dbraw/zinc/19/14/31/1425191431.db2.gz CKLCJCMXDDIHEF-FYWRMAATSA-N 1 0 345.443 3.231 10 5 EGBERO CCCC[N@+]1(C)CC[C@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1 ZINC000503922212 717182780 /nfs/dbraw/zinc/18/27/80/717182780.db2.gz JZDSVQZNQHDBEN-FBRLZHCOSA-N 1 0 344.475 3.165 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368099886 168310500 /nfs/dbraw/zinc/31/05/00/168310500.db2.gz GLLZTABQGDMERI-IMJJTQAJSA-N 1 0 340.427 3.176 10 5 EGBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000266422442 248293175 /nfs/dbraw/zinc/29/31/75/248293175.db2.gz ATZWUFFHVKGKIF-LBPRGKRZSA-N 1 0 331.328 3.233 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)cc1 ZINC000377345790 169013167 /nfs/dbraw/zinc/01/31/67/169013167.db2.gz MTYJPWMFVFLFRL-MSOLQXFVSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1sc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153923454 224176593 /nfs/dbraw/zinc/17/65/93/224176593.db2.gz FZXYLALGSJTKTJ-JSGCOSHPSA-N 1 0 349.456 3.054 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000172603424 144023444 /nfs/dbraw/zinc/02/34/44/144023444.db2.gz INLQPMSPOOGADF-QWRGUYRKSA-N 1 0 349.412 3.343 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000344875810 144235450 /nfs/dbraw/zinc/23/54/50/144235450.db2.gz XDCYOTVTMHQGHZ-ZROIWOOFSA-N 1 0 338.411 3.498 10 5 EGBERO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341346167 155245633 /nfs/dbraw/zinc/24/56/33/155245633.db2.gz HQXITQQKZPRCIB-OAHLLOKOSA-N 1 0 340.427 3.305 10 5 EGBERO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195338725 153396713 /nfs/dbraw/zinc/39/67/13/153396713.db2.gz YFWTVCNXSNWXIE-UHFFFAOYSA-N 1 0 343.431 3.328 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000310812353 154143975 /nfs/dbraw/zinc/14/39/75/154143975.db2.gz VWHPROKRXYPEAV-CQSZACIVSA-N 1 0 337.383 3.158 10 5 EGBERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000337286595 154260509 /nfs/dbraw/zinc/26/05/09/154260509.db2.gz KQWJFZICXKGNBL-GOSISDBHSA-N 1 0 344.415 3.324 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344075482 164097067 /nfs/dbraw/zinc/09/70/67/164097067.db2.gz UVZYQDRRMDUUMH-CQSZACIVSA-N 1 0 347.415 3.220 10 5 EGBERO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000344433705 164177942 /nfs/dbraw/zinc/17/79/42/164177942.db2.gz JVJFRUWPHGUUSJ-UHFFFAOYSA-N 1 0 332.429 3.375 10 5 EGBERO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000360685302 167387596 /nfs/dbraw/zinc/38/75/96/167387596.db2.gz KHVBMLZJZQHODQ-QGZVFWFLSA-N 1 0 338.404 3.061 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNC1CC([NH+]2CCCCC2)C1 ZINC000366265390 168100047 /nfs/dbraw/zinc/10/00/47/168100047.db2.gz GPQOPMJRVNIELP-UHFFFAOYSA-N 1 0 333.432 3.100 10 5 EGBERO CC[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000175186593 265099302 /nfs/dbraw/zinc/09/93/02/265099302.db2.gz NFSQOUMSIAHRJM-WMLDXEAASA-N 1 0 348.447 3.220 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000156824815 275035461 /nfs/dbraw/zinc/03/54/61/275035461.db2.gz AXXZVUGDXINGKE-AWEZNQCLSA-N 1 0 330.306 3.226 10 5 EGBERO Cn1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189735215 275220389 /nfs/dbraw/zinc/22/03/89/275220389.db2.gz USKCTMMGZZJEPX-INIZCTEOSA-N 1 0 344.415 3.043 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000288776160 276251671 /nfs/dbraw/zinc/25/16/71/276251671.db2.gz BKNMLTUBEFCQIK-TZMCWYRMSA-N 1 0 347.415 3.052 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000289394466 276332599 /nfs/dbraw/zinc/33/25/99/276332599.db2.gz MYLXACIKVHVDMO-SJLPKXTDSA-N 1 0 329.375 3.269 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367389689 277172331 /nfs/dbraw/zinc/17/23/31/277172331.db2.gz WOMYRJNSAFZLKP-WMZOPIPTSA-N 1 0 329.375 3.269 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176223009 281009114 /nfs/dbraw/zinc/00/91/14/281009114.db2.gz WLAJHHLGSFSUAM-OAHLLOKOSA-N 1 0 346.431 3.304 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295742203 308355609 /nfs/dbraw/zinc/35/56/09/308355609.db2.gz WRFZKGIQXGJZFS-KBPBESRZSA-N 1 0 333.432 3.269 10 5 EGBERO COc1cc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000295854420 308367520 /nfs/dbraw/zinc/36/75/20/308367520.db2.gz BLWJPSVRRIDICB-UHFFFAOYSA-N 1 0 335.404 3.041 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000296378350 308421357 /nfs/dbraw/zinc/42/13/57/308421357.db2.gz JLRZOVBOYYJDFJ-NURSFMCSSA-N 1 0 332.347 3.049 10 5 EGBERO COc1ccccc1[C@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000302857911 308748254 /nfs/dbraw/zinc/74/82/54/308748254.db2.gz MXKDDCAEWHKROE-INIZCTEOSA-N 1 0 333.363 3.457 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415702176 309141380 /nfs/dbraw/zinc/14/13/80/309141380.db2.gz PDUFSYWPGUXJDN-SFHVURJKSA-N 1 0 346.431 3.110 10 5 EGBERO C[NH2+]Cc1ccccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000415894862 309146638 /nfs/dbraw/zinc/14/66/38/309146638.db2.gz ABCQNSFNNMSPDI-UHFFFAOYSA-N 1 0 342.399 3.021 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(CN3CCC4(CC[NH2+]4)CC3)cs2)c1 ZINC000422562249 309361680 /nfs/dbraw/zinc/36/16/80/309361680.db2.gz PQZQPRPNPWKVDW-UHFFFAOYSA-N 1 0 344.440 3.046 10 5 EGBERO COc1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449435706 310061969 /nfs/dbraw/zinc/06/19/69/310061969.db2.gz ALCJRROKPSNBSG-UHFFFAOYSA-N 1 0 341.289 3.307 10 5 EGBERO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000449778761 310086642 /nfs/dbraw/zinc/08/66/42/310086642.db2.gz CEJWZRRGAGFUAH-GFCCVEGCSA-N 1 0 348.374 3.472 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(C)CCCC1 ZINC000489841627 311122399 /nfs/dbraw/zinc/12/23/99/311122399.db2.gz IBZGBXSUDBVRGV-UHFFFAOYSA-N 1 0 335.404 3.197 10 5 EGBERO COc1cc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000492850310 311298903 /nfs/dbraw/zinc/29/89/03/311298903.db2.gz GEDXZYTVQVQAME-FZKQIMNGSA-N 1 0 342.395 3.427 10 5 EGBERO O=C(CC[NH2+][C@@H]1C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548763674 315044770 /nfs/dbraw/zinc/04/47/70/315044770.db2.gz VRPMVVBBXQHSFC-GDBMZVCRSA-N 1 0 325.368 3.069 10 5 EGBERO Cc1ccc(CC[C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000566116803 316420365 /nfs/dbraw/zinc/42/03/65/316420365.db2.gz KYIFIWFTYOJHPD-ZDUSSCGKSA-N 1 0 345.399 3.436 10 5 EGBERO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566118256 316420720 /nfs/dbraw/zinc/42/07/20/316420720.db2.gz YYNMWEICQIEINE-ORAYPTAESA-N 1 0 339.395 3.447 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000578304656 324949244 /nfs/dbraw/zinc/94/92/44/324949244.db2.gz AGKWTHIKMFECCA-UHFFFAOYSA-N 1 0 334.420 3.013 10 5 EGBERO Cc1sc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000032709603 453884870 /nfs/dbraw/zinc/88/48/70/453884870.db2.gz MPMBJXRAMILTNU-UHFFFAOYSA-N 1 0 339.461 3.349 10 5 EGBERO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032793598 453891593 /nfs/dbraw/zinc/89/15/93/453891593.db2.gz CRUVNULQEJXSEV-QWHCGFSZSA-N 1 0 343.383 3.281 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000095946715 454235386 /nfs/dbraw/zinc/23/53/86/454235386.db2.gz KFZNNOWFDPYXDU-PXAZEXFGSA-N 1 0 325.368 3.199 10 5 EGBERO CC[C@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090548883 454318765 /nfs/dbraw/zinc/31/87/65/454318765.db2.gz JEODCKDXIRVWBV-YOEHRIQHSA-N 1 0 348.447 3.077 10 5 EGBERO CC[C@H](NC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688031 454336672 /nfs/dbraw/zinc/33/66/72/454336672.db2.gz VWIKOSQJPLYJLG-IRXDYDNUSA-N 1 0 348.447 3.172 10 5 EGBERO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000092675867 454607933 /nfs/dbraw/zinc/60/79/33/454607933.db2.gz KRMDFEYDSLKVMH-INIZCTEOSA-N 1 0 326.400 3.057 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897580 454667556 /nfs/dbraw/zinc/66/75/56/454667556.db2.gz MZHNLBYSWZTTFP-OAHLLOKOSA-N 1 0 344.415 3.199 10 5 EGBERO Cc1sc(C(=O)N2CCN(C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000176238845 454715483 /nfs/dbraw/zinc/71/54/83/454715483.db2.gz ZJCFCUVMMKDCTE-UHFFFAOYSA-N 1 0 337.445 3.055 10 5 EGBERO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000161925028 454737410 /nfs/dbraw/zinc/73/74/10/454737410.db2.gz CEMPRYVVFQZFBH-DOMZBBRYSA-N 1 0 349.406 3.196 10 5 EGBERO CCc1oc(C(=O)OC)cc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153068231 454757185 /nfs/dbraw/zinc/75/71/85/454757185.db2.gz OAFKYPRWNBNPNY-UHFFFAOYSA-N 1 0 344.367 3.095 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177409259 454861833 /nfs/dbraw/zinc/86/18/33/454861833.db2.gz LNXRGFBXQXLNAI-UHFFFAOYSA-N 1 0 331.416 3.040 10 5 EGBERO CNc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168942924 454928706 /nfs/dbraw/zinc/92/87/06/454928706.db2.gz BTBKNRXFNYZHKT-XYPHTWIQSA-N 1 0 331.416 3.074 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000155105104 454964164 /nfs/dbraw/zinc/96/41/64/454964164.db2.gz YXRGMUSNKKICLP-LBPRGKRZSA-N 1 0 331.347 3.332 10 5 EGBERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180146515 455140085 /nfs/dbraw/zinc/14/00/85/455140085.db2.gz SQNVVKFZMJQBFL-SJLPKXTDSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cc1[N+](=O)[O-] ZINC000180636925 455215407 /nfs/dbraw/zinc/21/54/07/455215407.db2.gz ABQTZXVLJULUDI-DZGCQCFKSA-N 1 0 343.431 3.284 10 5 EGBERO CC(C)N(Cc1nnc(C2CCC2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000181140069 455293484 /nfs/dbraw/zinc/29/34/84/455293484.db2.gz NEXWJFAVMHZCHZ-UHFFFAOYSA-N 1 0 343.431 3.401 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N1CCCC[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000181536096 455351345 /nfs/dbraw/zinc/35/13/45/455351345.db2.gz KBJQMTZRPCATQJ-WBVHZDCISA-N 1 0 333.432 3.427 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000184618237 455414547 /nfs/dbraw/zinc/41/45/47/455414547.db2.gz KGOCXYPRZUHKLL-LBPRGKRZSA-N 1 0 335.404 3.100 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000184664301 455423724 /nfs/dbraw/zinc/42/37/24/455423724.db2.gz CCNNROHMTXSVIV-SNVBAGLBSA-N 1 0 325.796 3.355 10 5 EGBERO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277638737 455621501 /nfs/dbraw/zinc/62/15/01/455621501.db2.gz CJYXIOMJQUDCII-AWEZNQCLSA-N 1 0 349.434 3.260 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000192839584 455703646 /nfs/dbraw/zinc/70/36/46/455703646.db2.gz IDKBSOOPRDCJNI-CQSZACIVSA-N 1 0 333.432 3.201 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000248643363 455724575 /nfs/dbraw/zinc/72/45/75/455724575.db2.gz NFYNJXZSEYDHNC-GJZGRUSLSA-N 1 0 346.431 3.302 10 5 EGBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000284727224 455731856 /nfs/dbraw/zinc/73/18/56/455731856.db2.gz KCZDYEFYVCSSFT-ZDUSSCGKSA-N 1 0 339.823 3.129 10 5 EGBERO COc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000221948774 456044480 /nfs/dbraw/zinc/04/44/80/456044480.db2.gz PZBRCUUCGLBWSR-CXAGYDPISA-N 1 0 330.384 3.330 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000601101123 460709314 /nfs/dbraw/zinc/70/93/14/460709314.db2.gz MRJSXVQVWMWPMF-UHFFFAOYSA-N 1 0 330.363 3.337 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826129 456226132 /nfs/dbraw/zinc/22/61/32/456226132.db2.gz DZCKQXASVWQSQD-OLZOCXBDSA-N 1 0 343.412 3.161 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301826128 456226225 /nfs/dbraw/zinc/22/62/25/456226225.db2.gz DZCKQXASVWQSQD-CHWSQXEVSA-N 1 0 343.412 3.161 10 5 EGBERO COc1ccc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000237183691 456242818 /nfs/dbraw/zinc/24/28/18/456242818.db2.gz SWBHUNAKHGEEMZ-FZKQIMNGSA-N 1 0 336.432 3.270 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301927819 456253159 /nfs/dbraw/zinc/25/31/59/456253159.db2.gz KNMHYMJBVDBMKK-NEPJUHHUSA-N 1 0 325.384 3.275 10 5 EGBERO CCOc1cccc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302220321 456320500 /nfs/dbraw/zinc/32/05/00/456320500.db2.gz MANAHAAVBSKAMV-UHFFFAOYSA-N 1 0 333.432 3.306 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C(F)F)s2)cc1 ZINC000601147621 460730377 /nfs/dbraw/zinc/73/03/77/460730377.db2.gz UUCDRBNPFXHEAL-CYBMUJFWSA-N 1 0 342.367 3.429 10 5 EGBERO CC(C)Oc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149525 460732420 /nfs/dbraw/zinc/73/24/20/460732420.db2.gz NPHCSQIKUIHYBB-IBGZPJMESA-N 1 0 344.411 3.379 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000353105673 456491924 /nfs/dbraw/zinc/49/19/24/456491924.db2.gz BOEJJJHLLUZRBP-MWLCHTKSSA-N 1 0 348.321 3.433 10 5 EGBERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000276619128 456533016 /nfs/dbraw/zinc/53/30/16/456533016.db2.gz QPSUJOKYOWLZSF-CYBMUJFWSA-N 1 0 339.823 3.113 10 5 EGBERO CCOc1cc(C[NH2+][C@H](COC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276892421 456612735 /nfs/dbraw/zinc/61/27/35/456612735.db2.gz KIKZRBCKUOPVCW-MRXNPFEDSA-N 1 0 330.384 3.471 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)co2)cc1 ZINC000340691994 456629658 /nfs/dbraw/zinc/62/96/58/456629658.db2.gz PHIDOZFMDBQPKR-WMLDXEAASA-N 1 0 343.383 3.251 10 5 EGBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291993679 456822484 /nfs/dbraw/zinc/82/24/84/456822484.db2.gz QTOJCIFJLVFALL-ZIAGYGMSSA-N 1 0 326.400 3.206 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)o2)cc1 ZINC000349274471 456927562 /nfs/dbraw/zinc/92/75/62/456927562.db2.gz FPIUTZNNEWRITO-CQSZACIVSA-N 1 0 344.289 3.258 10 5 EGBERO Cn1cc([C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000342296300 457219815 /nfs/dbraw/zinc/21/98/15/457219815.db2.gz AQUWSVGATSKEDC-MRXNPFEDSA-N 1 0 332.404 3.084 10 5 EGBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000363171372 457245139 /nfs/dbraw/zinc/24/51/39/457245139.db2.gz WVMDNZLLYSXNOB-OAHLLOKOSA-N 1 0 326.400 3.091 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000356990420 457261929 /nfs/dbraw/zinc/26/19/29/457261929.db2.gz UXXVDKPFKMUHLF-UHFFFAOYSA-N 1 0 331.416 3.003 10 5 EGBERO CC[NH+]1CCC(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000342381762 457268948 /nfs/dbraw/zinc/26/89/48/457268948.db2.gz PTGPTHFKOQALRM-UHFFFAOYSA-N 1 0 335.433 3.133 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000354533855 457274300 /nfs/dbraw/zinc/27/43/00/457274300.db2.gz LKXDKLULHRFXND-GDBMZVCRSA-N 1 0 333.432 3.345 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373930874 457406197 /nfs/dbraw/zinc/40/61/97/457406197.db2.gz URCUQKBHUBIYPI-UHFFFAOYSA-N 1 0 346.431 3.350 10 5 EGBERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCC2 ZINC000352526297 457440410 /nfs/dbraw/zinc/44/04/10/457440410.db2.gz MEHVHYOJNGLVBX-SJORKVTESA-N 1 0 334.416 3.383 10 5 EGBERO C[N@@H+]1C[C@@H]2CCCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@H]2C1 ZINC000425284994 457482189 /nfs/dbraw/zinc/48/21/89/457482189.db2.gz OEEJQHSUWGGAKY-XJKSGUPXSA-N 1 0 344.440 3.249 10 5 EGBERO CC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000361044653 457538281 /nfs/dbraw/zinc/53/82/81/457538281.db2.gz VATMUZPYNXVVCI-MRXNPFEDSA-N 1 0 326.400 3.091 10 5 EGBERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357742473 457675011 /nfs/dbraw/zinc/67/50/11/457675011.db2.gz DFVPPAUZTJBKBG-UHFFFAOYSA-N 1 0 343.427 3.140 10 5 EGBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357886591 457724372 /nfs/dbraw/zinc/72/43/72/457724372.db2.gz XWKKOPDQQGLURC-UHFFFAOYSA-N 1 0 343.383 3.088 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000411292207 457850942 /nfs/dbraw/zinc/85/09/42/457850942.db2.gz DPMJFEJWUUOONY-STQMWFEESA-N 1 0 335.404 3.052 10 5 EGBERO COC(=O)c1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)cc(C)c1[N+](=O)[O-] ZINC000433805264 457889402 /nfs/dbraw/zinc/88/94/02/457889402.db2.gz MCNNXZLNAQNNMF-OAHLLOKOSA-N 1 0 347.415 3.119 10 5 EGBERO Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444713042 457952246 /nfs/dbraw/zinc/95/22/46/457952246.db2.gz XZZCNWACLKYKOM-GOSISDBHSA-N 1 0 344.411 3.083 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCOC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000432366986 458724957 /nfs/dbraw/zinc/72/49/57/458724957.db2.gz DXWJRZXOUYLRCS-WBMJQRKESA-N 1 0 346.383 3.378 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CC4CCC3CC4)n2)c1 ZINC000433005747 458824867 /nfs/dbraw/zinc/82/48/67/458824867.db2.gz CWAXDRMDUWRSOS-KOHJWAIASA-N 1 0 328.372 3.313 10 5 EGBERO CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474217061 458870186 /nfs/dbraw/zinc/87/01/86/458870186.db2.gz WOWOZULBNCXNQP-FQEVSTJZSA-N 1 0 339.439 3.344 10 5 EGBERO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441658721 458969001 /nfs/dbraw/zinc/96/90/01/458969001.db2.gz WROHEGPONZYAEU-NVXWUHKLSA-N 1 0 336.432 3.235 10 5 EGBERO CN(c1ccccc1)c1ccc(C[N@H+](C)CCCO)cc1[N+](=O)[O-] ZINC000442966386 459066828 /nfs/dbraw/zinc/06/68/28/459066828.db2.gz MPOLTSQVBZEQRH-UHFFFAOYSA-N 1 0 329.400 3.177 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000590594675 459155971 /nfs/dbraw/zinc/15/59/71/459155971.db2.gz JPZXBHCFHZPYNG-CJNGLKHVSA-N 1 0 341.411 3.330 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)o1 ZINC000594987902 459206259 /nfs/dbraw/zinc/20/62/59/459206259.db2.gz MOCHTFQXLSWVLI-IRXDYDNUSA-N 1 0 328.368 3.248 10 5 EGBERO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992240 459208649 /nfs/dbraw/zinc/20/86/49/459208649.db2.gz QZSHSWRRKBRTOH-RTBURBONSA-N 1 0 344.411 3.451 10 5 EGBERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054022 459229098 /nfs/dbraw/zinc/22/90/98/459229098.db2.gz MSIGBOACUPAOJH-IAGOWNOFSA-N 1 0 331.460 3.378 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@H]1CC1(F)F ZINC000595068335 459235134 /nfs/dbraw/zinc/23/51/34/459235134.db2.gz KEQAMVAUHOEAFO-FZMZJTMJSA-N 1 0 346.399 3.479 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCO[C@H]1CC1(F)F)CCCC2 ZINC000595069047 459236210 /nfs/dbraw/zinc/23/62/10/459236210.db2.gz NISKLEUCNBUZDF-CABCVRRESA-N 1 0 326.343 3.376 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000595078766 459239325 /nfs/dbraw/zinc/23/93/25/459239325.db2.gz ARMMDFIBSFNNNP-WBAXXEDZSA-N 1 0 340.427 3.317 10 5 EGBERO COc1ccnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000595079017 459239484 /nfs/dbraw/zinc/23/94/84/459239484.db2.gz CBKMADHFJLCVAG-LBPRGKRZSA-N 1 0 333.363 3.248 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000595503233 459327720 /nfs/dbraw/zinc/32/77/20/459327720.db2.gz YVRLBQLPGNVRJB-HNNXBMFYSA-N 1 0 327.384 3.248 10 5 EGBERO CCC(C)(C)[C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595641234 459380184 /nfs/dbraw/zinc/38/01/84/459380184.db2.gz FZQADRKHZIZSDG-LBPRGKRZSA-N 1 0 335.404 3.307 10 5 EGBERO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595643339 459381265 /nfs/dbraw/zinc/38/12/65/459381265.db2.gz XUABWGRRVSBAMH-GFCCVEGCSA-N 1 0 337.420 3.346 10 5 EGBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591583127 459407082 /nfs/dbraw/zinc/40/70/82/459407082.db2.gz BIPDJDUNWNPFIN-NHYWBVRUSA-N 1 0 349.456 3.191 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000595732734 459418069 /nfs/dbraw/zinc/41/80/69/459418069.db2.gz HXVFLBCGDAWTKV-BRWVUGGUSA-N 1 0 332.400 3.149 10 5 EGBERO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000484646592 459424158 /nfs/dbraw/zinc/42/41/58/459424158.db2.gz XXNWUBKSLAYJRR-IAGOWNOFSA-N 1 0 344.415 3.080 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908189 459482120 /nfs/dbraw/zinc/48/21/20/459482120.db2.gz ZNANHVGQGPTPSO-NVXWUHKLSA-N 1 0 335.448 3.007 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccccc1 ZINC000485983767 459483225 /nfs/dbraw/zinc/48/32/25/459483225.db2.gz YCMBVLAHGRGEIZ-QUCCMNQESA-N 1 0 348.406 3.422 10 5 EGBERO COc1ccc(OCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000541772280 459489499 /nfs/dbraw/zinc/48/94/99/459489499.db2.gz YUVJMQIJUJIGMG-UHFFFAOYSA-N 1 0 330.384 3.423 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000561883423 459489732 /nfs/dbraw/zinc/48/97/32/459489732.db2.gz WHFBIXIOIUUQOQ-HNNXBMFYSA-N 1 0 333.363 3.457 10 5 EGBERO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596054967 459503844 /nfs/dbraw/zinc/50/38/44/459503844.db2.gz BSGRTJTZFSXZPO-UHFFFAOYSA-N 1 0 343.811 3.179 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592132522 459531834 /nfs/dbraw/zinc/53/18/34/459531834.db2.gz IBPCOKPNEFDGFX-BZSNNMDCSA-N 1 0 348.443 3.269 10 5 EGBERO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167365 459545487 /nfs/dbraw/zinc/54/54/87/459545487.db2.gz CGNCXGBUYWNJLC-AAEUAGOBSA-N 1 0 339.823 3.177 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592399389 459593532 /nfs/dbraw/zinc/59/35/32/459593532.db2.gz YZCMELMZOHXBEO-XPKDYRNWSA-N 1 0 349.431 3.248 10 5 EGBERO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446540 459601287 /nfs/dbraw/zinc/60/12/87/459601287.db2.gz FQTRSNQEJKQIFX-CRAIPNDOSA-N 1 0 346.427 3.011 10 5 EGBERO CC(C)c1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592525670 459625942 /nfs/dbraw/zinc/62/59/42/459625942.db2.gz DDZGYVDHQCNXOQ-UHFFFAOYSA-N 1 0 347.459 3.015 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(C3)CCC[NH2+]C4)o2)cc1 ZINC000573684161 459717153 /nfs/dbraw/zinc/71/71/53/459717153.db2.gz SAJKWILSICKVBS-IBGZPJMESA-N 1 0 341.411 3.430 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593053888 459756593 /nfs/dbraw/zinc/75/65/93/459756593.db2.gz CGUPLWGGICMSSM-UHFFFAOYSA-N 1 0 348.296 3.470 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC(C[NH+]2CCCC2)CC1 ZINC000593454401 459893599 /nfs/dbraw/zinc/89/35/99/459893599.db2.gz GPFMRCLHAIDBES-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[N@@H+]1CCC[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000593464538 459897452 /nfs/dbraw/zinc/89/74/52/459897452.db2.gz KZQDHSCFUJVWBV-SUMWQHHRSA-N 1 0 326.400 3.064 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593675222 459946066 /nfs/dbraw/zinc/94/60/66/459946066.db2.gz MXPYAMFFEZUZBE-DHDCSXOGSA-N 1 0 341.415 3.002 10 5 EGBERO C[NH2+]Cc1ccccc1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000593915440 460015461 /nfs/dbraw/zinc/01/54/61/460015461.db2.gz YKZNUYDGHJOEFY-UHFFFAOYSA-N 1 0 341.411 3.169 10 5 EGBERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccncc1 ZINC000618571587 460067668 /nfs/dbraw/zinc/06/76/68/460067668.db2.gz PSXVGEVZFGTUED-KBMXLJTQSA-N 1 0 329.404 3.063 10 5 EGBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000598913886 460092284 /nfs/dbraw/zinc/09/22/84/460092284.db2.gz RLKPKDSZVDXNKE-CYBMUJFWSA-N 1 0 338.795 3.044 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000599091229 460157676 /nfs/dbraw/zinc/15/76/76/460157676.db2.gz IHSSWWYGUQMARY-KGLIPLIRSA-N 1 0 331.416 3.482 10 5 EGBERO CO[C@@]1(C(F)(F)F)CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000615141419 460283303 /nfs/dbraw/zinc/28/33/03/460283303.db2.gz XHIRMCNXFPPQEC-AWEZNQCLSA-N 1 0 332.322 3.447 10 5 EGBERO CCOc1ccc(NC(=O)C[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673006 460305698 /nfs/dbraw/zinc/30/56/98/460305698.db2.gz LHRHRZIIDBMVLJ-UHFFFAOYSA-N 1 0 347.415 3.198 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228331 460451144 /nfs/dbraw/zinc/45/11/44/460451144.db2.gz JYIUXOFLSVAOJS-INIZCTEOSA-N 1 0 331.416 3.040 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000601217166 460754824 /nfs/dbraw/zinc/75/48/24/460754824.db2.gz BWAVDJQQPSSIKU-UHFFFAOYSA-N 1 0 349.460 3.149 10 5 EGBERO Cc1cc(Nc2cnn(C3CC[NH+](C)CC3)c2)c(F)cc1[N+](=O)[O-] ZINC000601226559 460756218 /nfs/dbraw/zinc/75/62/18/460756218.db2.gz NJASOCBHJHUAHK-UHFFFAOYSA-N 1 0 333.367 3.249 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601792550 460899438 /nfs/dbraw/zinc/89/94/38/460899438.db2.gz XTIWDRMOLDGLBW-UHFFFAOYSA-N 1 0 347.459 3.205 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)C[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000128058399 536896319 /nfs/dbraw/zinc/89/63/19/536896319.db2.gz WNRBDURNZOWNEC-CQSZACIVSA-N 1 0 346.383 3.474 10 5 EGBERO Cc1c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000735221699 575618349 /nfs/dbraw/zinc/61/83/49/575618349.db2.gz VGVBMRKAIXOBLA-INIZCTEOSA-N 1 0 340.379 3.335 10 5 EGBERO O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128850832 1293606161 /nfs/dbraw/zinc/60/61/61/1293606161.db2.gz HBMZGGRUILDVMX-CHWSQXEVSA-N 1 0 335.379 3.185 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000870994777 1296171499 /nfs/dbraw/zinc/17/14/99/1296171499.db2.gz VETXASYKVNHOEH-INIZCTEOSA-N 1 0 339.823 3.085 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000871357919 1296367564 /nfs/dbraw/zinc/36/75/64/1296367564.db2.gz VQZODCDTOISGGQ-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000872045791 1296697109 /nfs/dbraw/zinc/69/71/09/1296697109.db2.gz RNKCANRKRAWTFC-UNXYVOJBSA-N 1 0 337.445 3.011 10 5 EGBERO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072027 1296718324 /nfs/dbraw/zinc/71/83/24/1296718324.db2.gz CDQQOUYCVOLREL-BXUZGUMPSA-N 1 0 336.338 3.127 10 5 EGBERO C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083316 1296724418 /nfs/dbraw/zinc/72/44/18/1296724418.db2.gz KYMVSVCMGDDIJT-FZMZJTMJSA-N 1 0 345.374 3.161 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089379 1296728322 /nfs/dbraw/zinc/72/83/22/1296728322.db2.gz XWPBPLMJAPMLCX-RYUDHWBXSA-N 1 0 337.395 3.032 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOC(F)(F)C(F)(F)F ZINC000872110455 1296737001 /nfs/dbraw/zinc/73/70/01/1296737001.db2.gz ITDLUSXYHAUZMO-JTQLQIEISA-N 1 0 340.248 3.343 10 5 EGBERO C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000872110498 1296737060 /nfs/dbraw/zinc/73/70/60/1296737060.db2.gz JPKWRLYYSKXMAH-QMMMGPOBSA-N 1 0 328.237 3.417 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000401175048 1297738297 /nfs/dbraw/zinc/73/82/97/1297738297.db2.gz ZIFJVEQJHWGYLI-HNNXBMFYSA-N 1 0 330.363 3.205 10 5 EGBERO O=[N+]([O-])c1cccc(Br)c1OC[C@@H]1CCCC[NH2+]C1 ZINC000697089906 1298164120 /nfs/dbraw/zinc/16/41/20/1298164120.db2.gz YZYIEOTVNQRVMO-SNVBAGLBSA-N 1 0 329.194 3.126 10 5 EGBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000893026460 1305666301 /nfs/dbraw/zinc/66/63/01/1305666301.db2.gz NJSPDYYSFIAXNX-QWHCGFSZSA-N 1 0 337.395 3.069 10 5 EGBERO CCSc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000895526579 1309384566 /nfs/dbraw/zinc/38/45/66/1309384566.db2.gz OOTHKUHNEMFHEC-UHFFFAOYSA-N 1 0 332.429 3.397 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000895611025 1309427659 /nfs/dbraw/zinc/42/76/59/1309427659.db2.gz OLLDFDLGTVQCDE-GMSGAONNSA-N 1 0 335.148 3.491 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000858473913 1328772268 /nfs/dbraw/zinc/77/22/68/1328772268.db2.gz TUKHYPWPXPXKMN-COXVUDFISA-N 1 0 344.411 3.157 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000858505909 1328783477 /nfs/dbraw/zinc/78/34/77/1328783477.db2.gz QPFULHGLYJLYLV-IUODEOHRSA-N 1 0 348.399 3.296 10 5 EGBERO C[NH+](C)Cc1cccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000930137941 1328795630 /nfs/dbraw/zinc/79/56/30/1328795630.db2.gz MKKMCYFWMNARAU-UHFFFAOYSA-N 1 0 345.374 3.367 10 5 EGBERO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000913387528 1319022682 /nfs/dbraw/zinc/02/26/82/1319022682.db2.gz UGGCMMMYPNRMSM-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858966688 1328901660 /nfs/dbraw/zinc/90/16/60/1328901660.db2.gz PXHRGXLWNTYXIN-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO C[N@H+](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788234 1328970910 /nfs/dbraw/zinc/97/09/10/1328970910.db2.gz QWSALJIXDRPOKY-MSOLQXFVSA-N 1 0 345.443 3.079 10 5 EGBERO CCC[NH+]1CCC(Nc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000931376012 1329106623 /nfs/dbraw/zinc/10/66/23/1329106623.db2.gz WMTHLFOUULUARE-ALCCZGGFSA-N 1 0 347.415 3.067 10 5 EGBERO CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931660280 1329159854 /nfs/dbraw/zinc/15/98/54/1329159854.db2.gz DTUIDHVWGPOYIK-LBPRGKRZSA-N 1 0 341.839 3.027 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000926962655 1327800700 /nfs/dbraw/zinc/80/07/00/1327800700.db2.gz KZCLPKZEAXNFJY-FZMZJTMJSA-N 1 0 333.354 3.436 10 5 EGBERO CC(C)(C(=O)OCC12CCC[NH+](CCC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000861359064 1329412404 /nfs/dbraw/zinc/41/24/04/1329412404.db2.gz TXKFKNHAJSBFIU-UHFFFAOYSA-N 1 0 346.427 3.292 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)o2)cc1 ZINC000865691805 1329729699 /nfs/dbraw/zinc/72/96/99/1329729699.db2.gz GMJVEXSHHZVIHL-PQYPPTLTSA-N 1 0 340.379 3.368 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865779256 1329737681 /nfs/dbraw/zinc/73/76/81/1329737681.db2.gz FVPZTMDESXIESQ-IDGGIGOKSA-N 1 0 346.427 3.173 10 5 EGBERO CCOc1cc(N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000866055320 1330060442 /nfs/dbraw/zinc/06/04/42/1330060442.db2.gz SKCAJEXAEFAPDV-UHFFFAOYSA-N 1 0 333.432 3.306 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208658 1330078504 /nfs/dbraw/zinc/07/85/04/1330078504.db2.gz WBWZYHCBCXAPHS-JQWIXIFHSA-N 1 0 329.322 3.144 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@@H]21 ZINC000866206423 1330078654 /nfs/dbraw/zinc/07/86/54/1330078654.db2.gz LAUCVFNHPAQHDI-GWCFXTLKSA-N 1 0 329.322 3.144 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000866389191 1330105173 /nfs/dbraw/zinc/10/51/73/1330105173.db2.gz DSHFMGQWNWQZOC-VQISRLSMSA-N 1 0 344.333 3.069 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCCS1 ZINC000866477687 1330117117 /nfs/dbraw/zinc/11/71/17/1330117117.db2.gz ALPQIXFVEJHDLI-IUODEOHRSA-N 1 0 337.445 3.187 10 5 EGBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC(=O)OC(C)(C)C ZINC001192251874 1367729450 /nfs/dbraw/zinc/72/94/50/1367729450.db2.gz FORNMXZZEAOYLG-UHFFFAOYSA-N 1 0 338.404 3.027 10 5 EGBERO CC(C)(C)C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001195213857 1368402282 /nfs/dbraw/zinc/40/22/82/1368402282.db2.gz KJIMVWOETAKVNJ-CQSZACIVSA-N 1 0 345.443 3.242 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001195639710 1368463571 /nfs/dbraw/zinc/46/35/71/1368463571.db2.gz WPAUGEMHTSTPDR-IAGOWNOFSA-N 1 0 348.443 3.379 10 5 EGBERO Cc1cccc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001119573133 1371367487 /nfs/dbraw/zinc/36/74/87/1371367487.db2.gz VKYZLETWHHTBKU-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001187921406 1388189899 /nfs/dbraw/zinc/18/98/99/1388189899.db2.gz UPKFEFVDPSIGEE-GFCCVEGCSA-N 1 0 334.395 3.236 10 5 EGBERO Cc1cc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])s1 ZINC001187931658 1388192513 /nfs/dbraw/zinc/19/25/13/1388192513.db2.gz LZMBMWAHDKZUEA-CQSZACIVSA-N 1 0 335.404 3.125 10 5 EGBERO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001127842407 1373189331 /nfs/dbraw/zinc/18/93/31/1373189331.db2.gz FEONRCMZFRAOHU-ZWKOTPCHSA-N 1 0 347.459 3.279 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001137115053 1377481053 /nfs/dbraw/zinc/48/10/53/1377481053.db2.gz XMPMVMSMPWXRHD-GOSISDBHSA-N 1 0 347.459 3.154 10 5 EGBERO CC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)c1cccc([N+](=O)[O-])c1 ZINC001137927970 1377645863 /nfs/dbraw/zinc/64/58/63/1377645863.db2.gz ZFXJDHFZXGGUNR-IIVZCXTMSA-N 1 0 345.443 3.283 10 5 EGBERO CCC(=CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1)CC ZINC001276961554 1378198086 /nfs/dbraw/zinc/19/80/86/1378198086.db2.gz CQJAVMYXWKPUIN-JCNLHEQBSA-N 1 0 345.443 3.326 10 5 EGBERO C[C@@H]1C[C@@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC001162799513 1382875711 /nfs/dbraw/zinc/87/57/11/1382875711.db2.gz AUJHOFVVKXIMFD-ZYHUDNBSSA-N 1 0 346.818 3.255 10 5 EGBERO Cc1nc(NCC[NH+]2CCC3(CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001163146071 1382977391 /nfs/dbraw/zinc/97/73/91/1382977391.db2.gz YKKINEQIAYSGTE-UHFFFAOYSA-N 1 0 333.436 3.151 10 5 EGBERO CCOc1cc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001164382894 1383183555 /nfs/dbraw/zinc/18/35/55/1383183555.db2.gz DZRYMLLUDSGUES-KDURUIRLSA-N 1 0 345.443 3.306 10 5 EGBERO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397394 1383622402 /nfs/dbraw/zinc/62/24/02/1383622402.db2.gz NKXIYGHEVLPABC-NVXWUHKLSA-N 1 0 343.427 3.281 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001301038720 1383691696 /nfs/dbraw/zinc/69/16/96/1383691696.db2.gz NMHOVVSXZHAAGZ-OAHLLOKOSA-N 1 0 345.443 3.348 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001301038719 1383692015 /nfs/dbraw/zinc/69/20/15/1383692015.db2.gz NMHOVVSXZHAAGZ-HNNXBMFYSA-N 1 0 345.443 3.348 10 5 EGBERO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CCCCC1 ZINC001306928722 1383921866 /nfs/dbraw/zinc/92/18/66/1383921866.db2.gz VHVZDIHDTZPJSS-OAHLLOKOSA-N 1 0 336.392 3.425 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001306984433 1383929837 /nfs/dbraw/zinc/92/98/37/1383929837.db2.gz YXZZZOJBFUQSAF-KBPBESRZSA-N 1 0 349.431 3.365 10 5 EGBERO O=[N+]([O-])CC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC001169461964 1384150342 /nfs/dbraw/zinc/15/03/42/1384150342.db2.gz MSBQDWJYFKEZJF-UHFFFAOYSA-N 1 0 332.322 3.073 10 5 EGBERO CC(C)(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316612465 1384482416 /nfs/dbraw/zinc/48/24/16/1384482416.db2.gz AUUXHHZZESWPSJ-BJHJDKERSA-N 1 0 339.461 3.077 10 5 EGBERO COc1cc(C[N@@H+]2CCCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC001176649782 1385646922 /nfs/dbraw/zinc/64/69/22/1385646922.db2.gz LVUIRKQRGAGPAT-HNNXBMFYSA-N 1 0 340.420 3.460 10 5 EGBERO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001176995890 1385768308 /nfs/dbraw/zinc/76/83/08/1385768308.db2.gz OZGMAKOSCMVKSJ-INIZCTEOSA-N 1 0 349.431 3.060 10 5 EGBERO C[N@@H+]1C[C@@]23CN(Cc4cc(F)ccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001177009007 1385772229 /nfs/dbraw/zinc/77/22/29/1385772229.db2.gz VHVQSEBQOPNVML-HDICACEKSA-N 1 0 333.407 3.042 10 5 EGBERO CC/C=C(/C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001318943831 1385890839 /nfs/dbraw/zinc/89/08/39/1385890839.db2.gz UCLSGJFRBKIQRV-OFPPURPOSA-N 1 0 345.443 3.468 10 5 EGBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CC(C)(C)C1 ZINC001322492094 1387195076 /nfs/dbraw/zinc/19/50/76/1387195076.db2.gz HNWSCCABSQGPQW-UHFFFAOYSA-N 1 0 339.461 3.031 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC2(CC2(F)F)C1 ZINC001329583225 1389166894 /nfs/dbraw/zinc/16/68/94/1389166894.db2.gz CHTVXMRRJVNJSC-VLRKGOCCSA-N 1 0 339.342 3.089 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001350490385 1391470660 /nfs/dbraw/zinc/47/06/60/1391470660.db2.gz IEMHMLZJVZQECE-JTQLQIEISA-N 1 0 349.822 3.476 10 5 EGBERO CCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479314879 1392211904 /nfs/dbraw/zinc/21/19/04/1392211904.db2.gz PCSKDESEBUZSEA-BJHJDKERSA-N 1 0 339.461 3.077 10 5 EGBERO CC(C)=C(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479390080 1392231586 /nfs/dbraw/zinc/23/15/86/1392231586.db2.gz OEHLYDNNCUNFNQ-QAQDUYKDSA-N 1 0 345.443 3.326 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001480239549 1392631228 /nfs/dbraw/zinc/63/12/28/1392631228.db2.gz VVXZAIFSLLUAHS-GASCZTMLSA-N 1 0 333.432 3.158 10 5 EGBERO CC(C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001480853106 1392983465 /nfs/dbraw/zinc/98/34/65/1392983465.db2.gz CYCBVCQYUNWJDS-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001484751768 1395504091 /nfs/dbraw/zinc/50/40/91/1395504091.db2.gz DISLMWDSQFVSDC-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CC(C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)=C1CCC1 ZINC001691093196 1405029257 /nfs/dbraw/zinc/02/92/57/1405029257.db2.gz KBQPGOALUDYODV-WOVMCDHWSA-N 1 0 343.427 3.080 10 5 EGBERO CCCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001691520889 1405319429 /nfs/dbraw/zinc/31/94/29/1405319429.db2.gz ZCJISQKXFCQUMS-WKILWMFISA-N 1 0 345.443 3.160 10 5 EGBERO CC(C)=CC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001700509253 1414157234 /nfs/dbraw/zinc/15/72/34/1414157234.db2.gz HCEBQIAHRIAMIH-UHFFFAOYSA-N 1 0 345.443 3.470 10 5 EGBERO CCc1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001713475291 1418155420 /nfs/dbraw/zinc/15/54/20/1418155420.db2.gz RNRGNKDPDLVRLR-UHFFFAOYSA-N 1 0 341.411 3.019 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C1CC=CC1 ZINC001714489514 1419212932 /nfs/dbraw/zinc/21/29/32/1419212932.db2.gz CQFGDFWQBUXJTF-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(C)C ZINC001716219108 1420570026 /nfs/dbraw/zinc/57/00/26/1420570026.db2.gz FMXFFKFPYVKBRK-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CC1(CCC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001717650532 1421550872 /nfs/dbraw/zinc/55/08/72/1421550872.db2.gz WGHRHVHJFAJKNB-WKILWMFISA-N 1 0 345.443 3.160 10 5 EGBERO CC/C(C)=C\C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001724783511 1425149168 /nfs/dbraw/zinc/14/91/68/1425149168.db2.gz MVANYHGIKNIECI-GHXNOFRVSA-N 1 0 337.445 3.141 10 5 EGBERO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001725357849 1426007847 /nfs/dbraw/zinc/00/78/47/1426007847.db2.gz TXSMESRIPHJKFB-WKILWMFISA-N 1 0 347.459 3.261 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CC2(CC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001731317764 1427258830 /nfs/dbraw/zinc/25/88/30/1427258830.db2.gz SDDIOEGXUDWBIJ-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)=C1CCC1 ZINC001731875945 1428139853 /nfs/dbraw/zinc/13/98/53/1428139853.db2.gz WSPWANJJSDVNAY-UHFFFAOYSA-N 1 0 343.427 3.176 10 5 EGBERO C[C@H](NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341108264 299155128 /nfs/dbraw/zinc/15/51/28/299155128.db2.gz HZMYLOZUOOEAOS-KKUMJFAQSA-N 1 0 348.447 3.218 10 5 EGBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccc1F ZINC000040586361 213355837 /nfs/dbraw/zinc/35/58/37/213355837.db2.gz MHKODHKAIZLRHY-UHFFFAOYSA-N 1 0 326.291 3.406 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130508522 223158275 /nfs/dbraw/zinc/15/82/75/223158275.db2.gz BPMYVKODPNIAOD-GUYCJALGSA-N 1 0 330.384 3.296 10 5 EGBERO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245388717 243107172 /nfs/dbraw/zinc/10/71/72/243107172.db2.gz FCIKIPVAWXQHSQ-CABCVRRESA-N 1 0 333.432 3.284 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c(C)nn(C)c1C ZINC000344873591 533408241 /nfs/dbraw/zinc/40/82/41/533408241.db2.gz MSGXVZWLRZMJOG-JLHYYAGUSA-N 1 0 328.416 3.181 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246775894 141033519 /nfs/dbraw/zinc/03/35/19/141033519.db2.gz WUALEQXKKOTVLT-GOEBONIOSA-N 1 0 346.383 3.155 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875998 143930947 /nfs/dbraw/zinc/93/09/47/143930947.db2.gz QYNWFLAZNACXQZ-CQSZACIVSA-N 1 0 328.416 3.344 10 5 EGBERO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000173759541 144048465 /nfs/dbraw/zinc/04/84/65/144048465.db2.gz RFDMNAMPTVUTBB-CQSZACIVSA-N 1 0 332.356 3.412 10 5 EGBERO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190979854 153169477 /nfs/dbraw/zinc/16/94/77/153169477.db2.gz PVBCIGRXAQEWAX-INIZCTEOSA-N 1 0 334.416 3.052 10 5 EGBERO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190979875 153170121 /nfs/dbraw/zinc/17/01/21/153170121.db2.gz PVBCIGRXAQEWAX-MRXNPFEDSA-N 1 0 334.416 3.052 10 5 EGBERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000192812948 153261402 /nfs/dbraw/zinc/26/14/02/153261402.db2.gz YTDQAQGOCOJXTH-DOTOQJQBSA-N 1 0 341.415 3.095 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344033831 164087234 /nfs/dbraw/zinc/08/72/34/164087234.db2.gz FWEWYJQFRQZFRC-ZIAGYGMSSA-N 1 0 347.415 3.219 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000350313977 165029266 /nfs/dbraw/zinc/02/92/66/165029266.db2.gz HADORPNKBBWGPE-UHFFFAOYSA-N 1 0 340.383 3.146 10 5 EGBERO CC1(C2CC2)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000352177118 165270161 /nfs/dbraw/zinc/27/01/61/165270161.db2.gz YKHAIXKTUARTRX-UHFFFAOYSA-N 1 0 331.416 3.436 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000352858623 165536995 /nfs/dbraw/zinc/53/69/95/165536995.db2.gz OBYMCBGBTGKYIN-LJQANCHMSA-N 1 0 348.443 3.379 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359554691 167190353 /nfs/dbraw/zinc/19/03/53/167190353.db2.gz JJQWPRJXOFATNB-SCLBCKFNSA-N 1 0 331.416 3.354 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366785338 168140889 /nfs/dbraw/zinc/14/08/89/168140889.db2.gz WKZCQOXLDZOOML-UHFFFAOYSA-N 1 0 346.431 3.350 10 5 EGBERO Cc1sc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172419149 227688906 /nfs/dbraw/zinc/68/89/06/227688906.db2.gz KOFQRQNLGWSEJV-UHFFFAOYSA-N 1 0 337.445 3.055 10 5 EGBERO CC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177791935 265278872 /nfs/dbraw/zinc/27/88/72/265278872.db2.gz LSXNATWWTCCBQD-QGZVFWFLSA-N 1 0 333.432 3.283 10 5 EGBERO COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CC[N+]1(C)C ZINC000002007968 274102486 /nfs/dbraw/zinc/10/24/86/274102486.db2.gz ZDVDVLRYVOZWMP-AWEZNQCLSA-O 1 0 342.415 3.012 10 5 biogenic EGBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000408448884 274316353 /nfs/dbraw/zinc/31/63/53/274316353.db2.gz BSWZXCIIPADCFR-VNHYZAJKSA-N 1 0 343.431 3.313 10 5 EGBERO CC(=O)NC1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279096252 275303468 /nfs/dbraw/zinc/30/34/68/275303468.db2.gz NXEUSAGDWNOITH-WTNGLUPJSA-N 1 0 345.443 3.354 10 5 EGBERO CC(C)c1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000179222528 276056222 /nfs/dbraw/zinc/05/62/22/276056222.db2.gz QLTFEOAKLXALLC-CQSZACIVSA-N 1 0 329.400 3.231 10 5 EGBERO CS[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+]1CCCC1 ZINC000362009197 277524263 /nfs/dbraw/zinc/52/42/63/277524263.db2.gz AGSMCDGHFNHDQT-FHLIZLRMSA-N 1 0 349.500 3.476 10 5 EGBERO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C[NH3+])C1 ZINC000261700005 278362423 /nfs/dbraw/zinc/36/24/23/278362423.db2.gz FKWTZDGIHOFLMW-GXFFZTMASA-N 1 0 333.413 3.009 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000245553595 307952643 /nfs/dbraw/zinc/95/26/43/307952643.db2.gz QPAOXYYUEFDLDM-RANZSIQMSA-N 1 0 332.444 3.447 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000295146997 308296904 /nfs/dbraw/zinc/29/69/04/308296904.db2.gz QROIQIDQHRUYCZ-UHFFFAOYSA-N 1 0 349.387 3.020 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295742213 308355564 /nfs/dbraw/zinc/35/55/64/308355564.db2.gz WRFZKGIQXGJZFS-UONOGXRCSA-N 1 0 333.432 3.269 10 5 EGBERO Cc1sc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298411603 308612041 /nfs/dbraw/zinc/61/20/41/308612041.db2.gz WNMDNVXQFLGQGY-NSHDSACASA-N 1 0 339.442 3.059 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000330408437 308795078 /nfs/dbraw/zinc/79/50/78/308795078.db2.gz HPYPEIXJDOLRIH-KBPBESRZSA-N 1 0 333.432 3.001 10 5 EGBERO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415018355 309114574 /nfs/dbraw/zinc/11/45/74/309114574.db2.gz QUXSRMQINNQIRX-VXGBXAGGSA-N 1 0 333.363 3.352 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415691108 309141148 /nfs/dbraw/zinc/14/11/48/309141148.db2.gz FNTACMBFTXTACN-NEPJUHHUSA-N 1 0 334.420 3.284 10 5 EGBERO C[NH+](C)C1(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417356703 309202888 /nfs/dbraw/zinc/20/28/88/309202888.db2.gz PWGJDODJLPIVRX-GOSISDBHSA-N 1 0 325.412 3.368 10 5 EGBERO Cc1c([C@H](C)[NH2+]CCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000423184410 309389588 /nfs/dbraw/zinc/38/95/88/309389588.db2.gz HXGLAGCYUDWDLI-HNNXBMFYSA-N 1 0 328.416 3.129 10 5 EGBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000432985307 309674721 /nfs/dbraw/zinc/67/47/21/309674721.db2.gz MTCKFEJBLAKAHP-PIMMBPRGSA-N 1 0 345.399 3.061 10 5 EGBERO Cc1c(NC(=O)CC[NH2+][C@@H]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000433007046 309675227 /nfs/dbraw/zinc/67/52/27/309675227.db2.gz TWYCMTMHCRQMCO-ZBCRRDGASA-N 1 0 331.416 3.400 10 5 EGBERO CC[NH+](CC)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434840315 309720984 /nfs/dbraw/zinc/72/09/84/309720984.db2.gz JDUBAKCCCBRJCO-UHFFFAOYSA-N 1 0 346.431 3.290 10 5 EGBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425653 310061082 /nfs/dbraw/zinc/06/10/82/310061082.db2.gz QEPXDBMHTYVQAT-CJNGLKHVSA-N 1 0 330.384 3.448 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@](O)(C(F)F)C3)o2)c1 ZINC000449466976 310064381 /nfs/dbraw/zinc/06/43/81/310064381.db2.gz IECZJCAAXJOLKK-MRXNPFEDSA-N 1 0 338.310 3.057 10 5 EGBERO CC[C@H](C)[NH2+][C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000450527952 310128329 /nfs/dbraw/zinc/12/83/29/310128329.db2.gz IXQDKMNYKWLBQW-NHYWBVRUSA-N 1 0 343.387 3.027 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000451007285 310155288 /nfs/dbraw/zinc/15/52/88/310155288.db2.gz UHIHHLFYJOGLBF-MRXNPFEDSA-N 1 0 327.384 3.378 10 5 EGBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272914 310169275 /nfs/dbraw/zinc/16/92/75/310169275.db2.gz VKGSWQMMNJQWSV-QMTHXVAHSA-N 1 0 332.322 3.206 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000451544721 310184476 /nfs/dbraw/zinc/18/44/76/310184476.db2.gz FMXYCUJQXHCBCA-TZMCWYRMSA-N 1 0 332.322 3.088 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CF)CCOCC1)C1CC1 ZINC000453301678 310269912 /nfs/dbraw/zinc/26/99/12/310269912.db2.gz AHDYZYFAUXSHEJ-MRXNPFEDSA-N 1 0 336.407 3.272 10 5 EGBERO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000460353736 310582478 /nfs/dbraw/zinc/58/24/78/310582478.db2.gz QJKFSAKICWNBEI-IAGOWNOFSA-N 1 0 333.432 3.362 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000511627142 312164970 /nfs/dbraw/zinc/16/49/70/312164970.db2.gz IRDXMDQVBLZGFR-ZIAGYGMSSA-N 1 0 347.459 3.390 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000530439750 313535758 /nfs/dbraw/zinc/53/57/58/313535758.db2.gz XFPVYLPCLKAZAS-FHLIZLRMSA-N 1 0 334.416 3.159 10 5 EGBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000559758659 315644452 /nfs/dbraw/zinc/64/44/52/315644452.db2.gz KRNRKBFBPKEYBG-LBPRGKRZSA-N 1 0 345.365 3.347 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000565549228 316338904 /nfs/dbraw/zinc/33/89/04/316338904.db2.gz PEYJFHYVGZQUJD-XJKSGUPXSA-N 1 0 328.343 3.315 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000576087092 324543196 /nfs/dbraw/zinc/54/31/96/324543196.db2.gz WHABZZFZUSTEFX-KDOFPFPSSA-N 1 0 341.411 3.431 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000580623743 325274790 /nfs/dbraw/zinc/27/47/90/325274790.db2.gz GCTHUKPQVYNEKZ-DLBZAZTESA-N 1 0 331.416 3.412 10 5 EGBERO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccccc2[N+](=O)[O-])N1O ZINC000004189903 452798049 /nfs/dbraw/zinc/79/80/49/452798049.db2.gz MHNVPICVDIYWQS-MRXNPFEDSA-N 1 0 327.340 3.076 10 5 EGBERO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000012741099 453397212 /nfs/dbraw/zinc/39/72/12/453397212.db2.gz KRJBQAWLCVMEBI-CQSZACIVSA-N 1 0 336.436 3.473 10 5 EGBERO C[C@H]1C[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)C[NH2+]1 ZINC000600791781 460607095 /nfs/dbraw/zinc/60/70/95/460607095.db2.gz HKJRWSQKXXGTEE-GUYCJALGSA-N 1 0 326.396 3.262 10 5 EGBERO COC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181700333 455373912 /nfs/dbraw/zinc/37/39/12/455373912.db2.gz LDCCDMRFYOMOIF-GOSISDBHSA-N 1 0 330.384 3.341 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000066562201 453851933 /nfs/dbraw/zinc/85/19/33/453851933.db2.gz AQLNKIGJJIIBSA-HNNXBMFYSA-N 1 0 345.443 3.380 10 5 EGBERO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000067442531 453931512 /nfs/dbraw/zinc/93/15/12/453931512.db2.gz MHLZAXNHRIDCDD-UHFFFAOYSA-N 1 0 337.383 3.017 10 5 EGBERO Cc1sc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055758390 454012660 /nfs/dbraw/zinc/01/26/60/454012660.db2.gz YRKLDQVGSMEKAH-SDDRHHMPSA-N 1 0 339.461 3.061 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000089732410 454185635 /nfs/dbraw/zinc/18/56/35/454185635.db2.gz ZGYLEIPBOJHYOR-HUUCEWRRSA-N 1 0 341.415 3.013 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000073757923 454478584 /nfs/dbraw/zinc/47/85/84/454478584.db2.gz IIQIOIXHADVUIJ-CQSZACIVSA-N 1 0 348.447 3.077 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153456122 454795458 /nfs/dbraw/zinc/79/54/58/454795458.db2.gz XAKHIAQRZRHWBJ-UHFFFAOYSA-N 1 0 334.416 3.242 10 5 EGBERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109146872 454822574 /nfs/dbraw/zinc/82/25/74/454822574.db2.gz MBCJOSXXCCUFGD-KBXCAEBGSA-N 1 0 339.395 3.359 10 5 EGBERO C[C@@H](O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000114770952 454977151 /nfs/dbraw/zinc/97/71/51/454977151.db2.gz HGYBJCPJIAIOKS-CQSZACIVSA-N 1 0 329.400 3.223 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000151982499 455057502 /nfs/dbraw/zinc/05/75/02/455057502.db2.gz KJCRMPQIOFFYNA-GOSISDBHSA-N 1 0 341.411 3.456 10 5 EGBERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180154662 455140824 /nfs/dbraw/zinc/14/08/24/455140824.db2.gz PJEUIEBXSRCTIV-FUHWJXTLSA-N 1 0 339.395 3.078 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174133635 455362650 /nfs/dbraw/zinc/36/26/50/455362650.db2.gz ZBHBWCGPNUSFLR-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO COc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1F ZINC000182003335 455414022 /nfs/dbraw/zinc/41/40/22/455414022.db2.gz VPNSXEGIJFPJGM-GFCCVEGCSA-N 1 0 334.347 3.472 10 5 EGBERO CC[C@@H](NC(=O)NCC[N@@H+](C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000246998146 455542399 /nfs/dbraw/zinc/54/23/99/455542399.db2.gz KOGUGDFUFONUBO-XJKSGUPXSA-N 1 0 336.436 3.075 10 5 EGBERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000246998115 455542630 /nfs/dbraw/zinc/54/26/30/455542630.db2.gz KOGUGDFUFONUBO-CZUORRHYSA-N 1 0 336.436 3.075 10 5 EGBERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182762015 455582613 /nfs/dbraw/zinc/58/26/13/455582613.db2.gz STSNXGKFZLRQTA-AWEZNQCLSA-N 1 0 343.431 3.455 10 5 EGBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccs1 ZINC000247459199 455603786 /nfs/dbraw/zinc/60/37/86/455603786.db2.gz QVUWVDSCSFCWIW-NHYWBVRUSA-N 1 0 349.412 3.062 10 5 EGBERO CN(C)c1ncccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192666614 455664366 /nfs/dbraw/zinc/66/43/66/455664366.db2.gz STFAGFPCQVBMGM-KRWDZBQOSA-N 1 0 326.400 3.223 10 5 EGBERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248062680 455678210 /nfs/dbraw/zinc/67/82/10/455678210.db2.gz PJEUIEBXSRCTIV-WMZOPIPTSA-N 1 0 339.395 3.078 10 5 EGBERO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000292643751 455720656 /nfs/dbraw/zinc/72/06/56/455720656.db2.gz KPHDCEGUHYGZBO-LBPRGKRZSA-N 1 0 341.839 3.407 10 5 EGBERO COc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271740744 455741133 /nfs/dbraw/zinc/74/11/33/455741133.db2.gz WIRXOEFTBDRBSO-CYBMUJFWSA-N 1 0 343.383 3.283 10 5 EGBERO CCn1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cn1 ZINC000195501311 455970680 /nfs/dbraw/zinc/97/06/80/455970680.db2.gz ZOUBUEWUJZXVGN-UHFFFAOYSA-N 1 0 328.416 3.499 10 5 EGBERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000195518237 455977535 /nfs/dbraw/zinc/97/75/35/455977535.db2.gz WIZOHHATCCSNMU-AWEZNQCLSA-N 1 0 330.388 3.049 10 5 EGBERO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000296582270 455979861 /nfs/dbraw/zinc/97/98/61/455979861.db2.gz UKHHRZXFSJCCQI-AAEUAGOBSA-N 1 0 345.424 3.253 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(CCO)CC2)c2ccccc2)c1 ZINC000188068269 455991324 /nfs/dbraw/zinc/99/13/24/455991324.db2.gz RJVXMOGEAUAZAS-GOSISDBHSA-N 1 0 326.396 3.436 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280802889 456055858 /nfs/dbraw/zinc/05/58/58/456055858.db2.gz SMDNTIIREOIRHS-MFKMUULPSA-N 1 0 326.780 3.070 10 5 EGBERO CCc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301357639 456097866 /nfs/dbraw/zinc/09/78/66/456097866.db2.gz NQUXBUMUCLULLW-NEPJUHHUSA-N 1 0 330.388 3.043 10 5 EGBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCC[NH2+]C1CCCCC1 ZINC000601103463 460710318 /nfs/dbraw/zinc/71/03/18/460710318.db2.gz XMHSZDFSTLHNRC-UHFFFAOYSA-N 1 0 349.357 3.071 10 5 EGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469225 456122992 /nfs/dbraw/zinc/12/29/92/456122992.db2.gz HUULCAKWGIUZHH-YDHLFZDLSA-N 1 0 335.835 3.477 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115852 460715988 /nfs/dbraw/zinc/71/59/88/460715988.db2.gz DHSHFLYSOGDFIA-ZIAGYGMSSA-N 1 0 336.411 3.220 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000301592403 456156338 /nfs/dbraw/zinc/15/63/38/456156338.db2.gz DMSQXMNIFPJWNJ-GFCCVEGCSA-N 1 0 325.384 3.132 10 5 EGBERO Cc1cc(NCCN2CCc3c(Cl)cccc3C2)ncc1[N+](=O)[O-] ZINC000302685629 456374857 /nfs/dbraw/zinc/37/48/57/456374857.db2.gz TVHMXZDJLCZAJQ-UHFFFAOYSA-N 1 0 346.818 3.422 10 5 EGBERO CC(C)[C@](C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353092707 456485220 /nfs/dbraw/zinc/48/52/20/456485220.db2.gz JLQWQVIJXKRVDA-INIZCTEOSA-N 1 0 335.429 3.215 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CC=Cc1ccccc1[N+](=O)[O-] ZINC000348818350 456870355 /nfs/dbraw/zinc/87/03/55/456870355.db2.gz XXXUIVSTFIDDKT-VOKGJARPSA-N 1 0 325.368 3.376 10 5 EGBERO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CN1C(C)=O ZINC000349974451 457129142 /nfs/dbraw/zinc/12/91/42/457129142.db2.gz MSJRPUYBSUFYKT-DLBZAZTESA-N 1 0 333.432 3.125 10 5 EGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000342265873 457200123 /nfs/dbraw/zinc/20/01/23/457200123.db2.gz BIPWHSUQNWHIJD-GFCCVEGCSA-N 1 0 331.347 3.413 10 5 EGBERO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000347333691 457359254 /nfs/dbraw/zinc/35/92/54/457359254.db2.gz CJKJARPKGHKIGA-SJCJKPOMSA-N 1 0 340.383 3.058 10 5 EGBERO O=C(CC[NH2+][C@H](c1cccnc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000347350366 457368415 /nfs/dbraw/zinc/36/84/15/457368415.db2.gz AAQRTPWRFGADSA-SFHVURJKSA-N 1 0 340.383 3.059 10 5 EGBERO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000425413971 457542612 /nfs/dbraw/zinc/54/26/12/457542612.db2.gz CHMWNVDMNWZFJM-UHFFFAOYSA-N 1 0 343.221 3.216 10 5 EGBERO Cc1noc(C2(C)CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000374750545 457700294 /nfs/dbraw/zinc/70/02/94/457700294.db2.gz MUEDVAUNQBRLEM-GFCCVEGCSA-N 1 0 330.388 3.401 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000374783952 457705945 /nfs/dbraw/zinc/70/59/45/457705945.db2.gz XDTWVCNAYWZBSE-MQVJKMGUSA-N 1 0 326.400 3.239 10 5 EGBERO Cc1ccncc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361420578 457726373 /nfs/dbraw/zinc/72/63/73/457726373.db2.gz BRBVWZISCPQEOF-UHFFFAOYSA-N 1 0 342.399 3.067 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000411292201 457851389 /nfs/dbraw/zinc/85/13/89/457851389.db2.gz DPMJFEJWUUOONY-CHWSQXEVSA-N 1 0 335.404 3.052 10 5 EGBERO Cc1c([C@H](C)[NH2+]CCc2cnc(C3CC3)nc2)cccc1[N+](=O)[O-] ZINC000358217597 457867278 /nfs/dbraw/zinc/86/72/78/457867278.db2.gz HFOWFTVMFPOFAP-ZDUSSCGKSA-N 1 0 326.400 3.464 10 5 EGBERO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444713044 457952455 /nfs/dbraw/zinc/95/24/55/457952455.db2.gz XZZCNWACLKYKOM-SFHVURJKSA-N 1 0 344.411 3.083 10 5 EGBERO CC[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493399 458068838 /nfs/dbraw/zinc/06/88/38/458068838.db2.gz GSCICTIWNKUSCG-YOEHRIQHSA-N 1 0 348.447 3.077 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)nc2c1 ZINC000435026945 458078964 /nfs/dbraw/zinc/07/89/64/458078964.db2.gz ODNOTFTYLABXMC-QGZVFWFLSA-N 1 0 331.372 3.129 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000446486534 458191643 /nfs/dbraw/zinc/19/16/43/458191643.db2.gz VQXYPFWAXGXPBF-ZIAGYGMSSA-N 1 0 334.420 3.288 10 5 EGBERO COc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000459736058 458463815 /nfs/dbraw/zinc/46/38/15/458463815.db2.gz GQDHKPUXEFMIEG-UHFFFAOYSA-N 1 0 349.456 3.229 10 5 EGBERO COc1cc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000459826655 458485912 /nfs/dbraw/zinc/48/59/12/458485912.db2.gz MNXFBTOYXXVAPP-LBPRGKRZSA-N 1 0 338.404 3.013 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000460356734 458513001 /nfs/dbraw/zinc/51/30/01/458513001.db2.gz PBAVUFDVADJTAZ-LSDHHAIUSA-N 1 0 349.431 3.346 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)o2)c1 ZINC000377791016 458528642 /nfs/dbraw/zinc/52/86/42/458528642.db2.gz YFQJMJZMKVKRSM-ZDUSSCGKSA-N 1 0 338.367 3.225 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470959455 458670021 /nfs/dbraw/zinc/67/00/21/458670021.db2.gz NUZBYDAOMXGZAG-CMPLNLGQSA-N 1 0 348.321 3.255 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474030003 458855917 /nfs/dbraw/zinc/85/59/17/458855917.db2.gz GUZVSDGXTSACOA-OWCLPIDISA-N 1 0 334.416 3.288 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566923099 459022075 /nfs/dbraw/zinc/02/20/75/459022075.db2.gz CJWSHDQUHRSZNT-GDBMZVCRSA-N 1 0 325.368 3.350 10 5 EGBERO COC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594969623 459199404 /nfs/dbraw/zinc/19/94/04/459199404.db2.gz YGXHLFAQSCWLME-UHFFFAOYSA-N 1 0 330.331 3.101 10 5 EGBERO COc1cc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000594972742 459201612 /nfs/dbraw/zinc/20/16/12/459201612.db2.gz IYKZRRDLKVSGNZ-CTYIDZIISA-N 1 0 344.367 3.009 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C[C@H](O)C34CCC4)cs2)c1 ZINC000594985869 459204733 /nfs/dbraw/zinc/20/47/33/459204733.db2.gz BKBXOABPAHJRJI-GJZGRUSLSA-N 1 0 345.424 3.111 10 5 EGBERO C[C@H]1CCCCN1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628672 459210167 /nfs/dbraw/zinc/21/01/67/459210167.db2.gz YTCFZGQGBMUVNA-MAUKXSAKSA-N 1 0 331.460 3.380 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@H]1CC1(F)F ZINC000595068336 459235159 /nfs/dbraw/zinc/23/51/59/459235159.db2.gz KEQAMVAUHOEAFO-RISCZKNCSA-N 1 0 346.399 3.479 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000595069071 459235944 /nfs/dbraw/zinc/23/59/44/459235944.db2.gz NSFAMRQGYRJFLL-BJJXKVORSA-N 1 0 340.370 3.320 10 5 EGBERO Cc1cncc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595091920 459242424 /nfs/dbraw/zinc/24/24/24/459242424.db2.gz UNUMFCQNTCBQLH-QAPCUYQASA-N 1 0 340.427 3.237 10 5 EGBERO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000595606982 459363861 /nfs/dbraw/zinc/36/38/61/459363861.db2.gz YZWXYVATIGOESB-MRXNPFEDSA-N 1 0 331.416 3.286 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595661924 459387314 /nfs/dbraw/zinc/38/73/14/459387314.db2.gz CVWGJKXMSZTNGE-JKSUJKDBSA-N 1 0 348.447 3.218 10 5 EGBERO COc1cc(C[N@H+](C)CCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485815115 459471033 /nfs/dbraw/zinc/47/10/33/459471033.db2.gz MEEMYWMLXWPOFS-UHFFFAOYSA-N 1 0 334.347 3.253 10 5 EGBERO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccccc1 ZINC000485987747 459483162 /nfs/dbraw/zinc/48/31/62/459483162.db2.gz GRJAPWTVQNRJIP-CXAGYDPISA-N 1 0 330.363 3.173 10 5 EGBERO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596090795 459516078 /nfs/dbraw/zinc/51/60/78/459516078.db2.gz VVRNMEJUBPJQSD-SNVBAGLBSA-N 1 0 343.811 3.177 10 5 EGBERO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596090771 459516539 /nfs/dbraw/zinc/51/65/39/459516539.db2.gz VVRNMEJUBPJQSD-JTQLQIEISA-N 1 0 343.811 3.177 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC[C@H]3CCOC3)CC2)cc1 ZINC000592070132 459519620 /nfs/dbraw/zinc/51/96/20/459519620.db2.gz IOBGBJIGRGINJX-HNNXBMFYSA-N 1 0 334.416 3.255 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CC=CCC1 ZINC000542245971 459539236 /nfs/dbraw/zinc/53/92/36/459539236.db2.gz XMNOOMOUTSGDLJ-LBPRGKRZSA-N 1 0 337.807 3.475 10 5 EGBERO COc1cc(N2CCC3(C2)CC[NH+](C)CC3)c(Cl)cc1[N+](=O)[O-] ZINC000596237722 459571080 /nfs/dbraw/zinc/57/10/80/459571080.db2.gz HUIITWWFOBDVHY-UHFFFAOYSA-N 1 0 339.823 3.179 10 5 EGBERO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592372792 459583467 /nfs/dbraw/zinc/58/34/67/459583467.db2.gz OZISBLSDRWCAQX-LLVKDONJSA-N 1 0 338.358 3.376 10 5 EGBERO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446643 459601445 /nfs/dbraw/zinc/60/14/45/459601445.db2.gz KYYXLKHYBYEPIV-WMZOPIPTSA-N 1 0 346.427 3.011 10 5 EGBERO COCCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573107031 459627432 /nfs/dbraw/zinc/62/74/32/459627432.db2.gz QBUQGTKRFKJACJ-SFHVURJKSA-N 1 0 342.395 3.397 10 5 EGBERO C[C@@]12COC[C@H]1C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000597211065 459879523 /nfs/dbraw/zinc/87/95/23/459879523.db2.gz KVSRAXJSQVQFRI-CXAGYDPISA-N 1 0 345.424 3.187 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000608971991 459897302 /nfs/dbraw/zinc/89/73/02/459897302.db2.gz WVHBOJJDIWFFMV-MRXNPFEDSA-N 1 0 346.818 3.314 10 5 EGBERO CCc1cccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000593685867 459950143 /nfs/dbraw/zinc/95/01/43/459950143.db2.gz BHMWNZPADXENMP-UHFFFAOYSA-N 1 0 328.368 3.218 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3(CO)CCC3)cs2)c1 ZINC000593693519 459954150 /nfs/dbraw/zinc/95/41/50/459954150.db2.gz NUPVBNNEIYAALV-UHFFFAOYSA-N 1 0 347.440 3.361 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000588489507 459955325 /nfs/dbraw/zinc/95/53/25/459955325.db2.gz YVSYZDRHGJELSQ-QGNVGDHZSA-N 1 0 346.427 3.172 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000593717103 459962432 /nfs/dbraw/zinc/96/24/32/459962432.db2.gz XVYDQXXVCBRFTM-AUUYWEPGSA-N 1 0 326.396 3.122 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000598989502 460119245 /nfs/dbraw/zinc/11/92/45/460119245.db2.gz JHYWVJGLVRRWRE-JHAQOBCDSA-N 1 0 340.305 3.198 10 5 EGBERO CO[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000576438775 460140386 /nfs/dbraw/zinc/14/03/86/460140386.db2.gz UDFLZSFOBKWHNE-SJORKVTESA-N 1 0 329.400 3.166 10 5 EGBERO C[N@@H+]1CCC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000599055556 460142446 /nfs/dbraw/zinc/14/24/46/460142446.db2.gz HUDMQHQSVFNKIU-ZBFHGGJFSA-N 1 0 326.400 3.064 10 5 EGBERO CCN(CCC[NH+]1CCCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599078568 460153369 /nfs/dbraw/zinc/15/33/69/460153369.db2.gz ILVMIUNYXJEMQP-UHFFFAOYSA-N 1 0 328.416 3.455 10 5 EGBERO CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599085410 460156652 /nfs/dbraw/zinc/15/66/52/460156652.db2.gz ZXWCQBOLLNJQPP-MRXNPFEDSA-N 1 0 333.432 3.284 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084849 460156783 /nfs/dbraw/zinc/15/67/83/460156783.db2.gz SGNYOMYLLRJEDB-LORHWOILSA-N 1 0 340.427 3.444 10 5 EGBERO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc2sccn21 ZINC000599127006 460169446 /nfs/dbraw/zinc/16/94/46/460169446.db2.gz LQNQADIPZWDLSK-LBPRGKRZSA-N 1 0 335.433 3.123 10 5 EGBERO CC[C@H](NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610530789 460178141 /nfs/dbraw/zinc/17/81/41/460178141.db2.gz FNXRFNMVLYVPGI-RDJZCZTQSA-N 1 0 348.447 3.218 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600470709 460500206 /nfs/dbraw/zinc/50/02/06/460500206.db2.gz HZADEXZESFXHOO-INIZCTEOSA-N 1 0 345.443 3.267 10 5 EGBERO CCC1([NH+](C)C)CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000601229201 460758803 /nfs/dbraw/zinc/75/88/03/460758803.db2.gz IQZCEHXQLNXKFF-UHFFFAOYSA-N 1 0 325.384 3.053 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(F)F ZINC000601299897 460780950 /nfs/dbraw/zinc/78/09/50/460780950.db2.gz VKOHPAWSKHFWMZ-JQWIXIFHSA-N 1 0 334.388 3.071 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601321886 460789501 /nfs/dbraw/zinc/78/95/01/460789501.db2.gz XZKRPOGHUWBQIW-GXTWGEPZSA-N 1 0 330.388 3.376 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601664155 460862407 /nfs/dbraw/zinc/86/24/07/460862407.db2.gz JKGRVHQDHAHDCM-MRXNPFEDSA-N 1 0 345.443 3.006 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644511 534094843 /nfs/dbraw/zinc/09/48/43/534094843.db2.gz NKFCCPNZEXKUDU-LSDHHAIUSA-N 1 0 326.400 3.485 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)C1CC1 ZINC000178560817 534887680 /nfs/dbraw/zinc/88/76/80/534887680.db2.gz VSXYMUREPJKDKD-GOSISDBHSA-N 1 0 344.386 3.337 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000184198143 527814008 /nfs/dbraw/zinc/81/40/08/527814008.db2.gz KBTDBYQXAWUZAQ-IUAQFKCUSA-N 1 0 345.443 3.187 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181526216 529153987 /nfs/dbraw/zinc/15/39/87/529153987.db2.gz UXTOAFQDDWVROA-QGZVFWFLSA-N 1 0 327.384 3.299 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000181525861 529174950 /nfs/dbraw/zinc/17/49/50/529174950.db2.gz QASZLARMMQTTDN-NVXWUHKLSA-N 1 0 348.374 3.215 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000185433024 535772051 /nfs/dbraw/zinc/77/20/51/535772051.db2.gz HTXDODCGKRNIFU-FUHWJXTLSA-N 1 0 347.459 3.106 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730732453 575014979 /nfs/dbraw/zinc/01/49/79/575014979.db2.gz ZWSADQWNSBHGLU-CHWSQXEVSA-N 1 0 336.461 3.144 10 5 EGBERO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)NC(=O)OC(C)(C)C ZINC000192683994 1295788648 /nfs/dbraw/zinc/78/86/48/1295788648.db2.gz XBWBSYGDIKYJFP-JTQLQIEISA-N 1 0 343.811 3.251 10 5 EGBERO CCOC(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872021268 1296662426 /nfs/dbraw/zinc/66/24/26/1296662426.db2.gz PTQSSPROYKIITJ-LLVKDONJSA-N 1 0 339.367 3.005 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023775 1296665805 /nfs/dbraw/zinc/66/58/05/1296665805.db2.gz KLXVVSDYGOUBMM-IAQYHMDHSA-N 1 0 334.347 3.127 10 5 EGBERO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872064280 1296710128 /nfs/dbraw/zinc/71/01/28/1296710128.db2.gz FETCTODEDUTKOW-HIFRSBDPSA-N 1 0 332.375 3.297 10 5 EGBERO COCC[C@@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074250 1296719422 /nfs/dbraw/zinc/71/94/22/1296719422.db2.gz ZRIAJPHFWKWGID-NEPJUHHUSA-N 1 0 328.434 3.019 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083315 1296723811 /nfs/dbraw/zinc/72/38/11/1296723811.db2.gz KYMVSVCMGDDIJT-BXUZGUMPSA-N 1 0 345.374 3.161 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000872259090 1296858150 /nfs/dbraw/zinc/85/81/50/1296858150.db2.gz LEMMLJMYUJTOMW-MRXNPFEDSA-N 1 0 349.387 3.427 10 5 EGBERO O=[N+]([O-])c1sc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1Br ZINC000872264430 1296866952 /nfs/dbraw/zinc/86/69/52/1296866952.db2.gz SRBXDQUBEABFFL-PWSUYJOCSA-N 1 0 347.234 3.220 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886617556 1303525723 /nfs/dbraw/zinc/52/57/23/1303525723.db2.gz RTBZVSIRDUEZFV-CFVMTHIKSA-N 1 0 344.333 3.293 10 5 EGBERO C/C(=C/C(=O)N(C)CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000890882141 1304904545 /nfs/dbraw/zinc/90/45/45/1304904545.db2.gz HGUHBOLHSWICHG-KAMYIIQDSA-N 1 0 333.432 3.044 10 5 EGBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000893026459 1305666785 /nfs/dbraw/zinc/66/67/85/1305666785.db2.gz NJSPDYYSFIAXNX-OLZOCXBDSA-N 1 0 337.395 3.069 10 5 EGBERO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000858038447 1328667818 /nfs/dbraw/zinc/66/78/18/1328667818.db2.gz MFTKSJKDXJDZNJ-MRXNPFEDSA-N 1 0 327.384 3.260 10 5 EGBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559567 1328795707 /nfs/dbraw/zinc/79/57/07/1328795707.db2.gz NCMKJKVTXHIDGJ-GJZGRUSLSA-N 1 0 339.395 3.105 10 5 EGBERO COC(=O)/C=C\c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000917060008 1319745874 /nfs/dbraw/zinc/74/58/74/1319745874.db2.gz PBFSMIRUBRPCCQ-CLFYSBASSA-N 1 0 347.415 3.067 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000931674540 1329162008 /nfs/dbraw/zinc/16/20/08/1329162008.db2.gz AJKLDHVLTXSXBZ-UHFFFAOYSA-N 1 0 342.399 3.024 10 5 EGBERO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnn1CC1CCC1 ZINC000925643113 1325245114 /nfs/dbraw/zinc/24/51/14/1325245114.db2.gz VVQVYRHAGHPKJG-CQSZACIVSA-N 1 0 328.416 3.485 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(C)n(C)n1 ZINC000926912744 1327773194 /nfs/dbraw/zinc/77/31/94/1327773194.db2.gz YJZFJUARWJOLSN-AWEZNQCLSA-N 1 0 348.472 3.340 10 5 EGBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861772834 1329440899 /nfs/dbraw/zinc/44/08/99/1329440899.db2.gz BQDRLIXSXCMYKX-CYBMUJFWSA-N 1 0 329.400 3.207 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000862466507 1329488716 /nfs/dbraw/zinc/48/87/16/1329488716.db2.gz ZNERCWMJHXZBDO-ZDUSSCGKSA-N 1 0 342.351 3.206 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCCC4(CC4)CC3)n2)cc1 ZINC000863332001 1329547204 /nfs/dbraw/zinc/54/72/04/1329547204.db2.gz YMPXUFYBJVVHFI-UHFFFAOYSA-N 1 0 327.388 3.077 10 5 EGBERO CC(=O)NCC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000865490297 1329704765 /nfs/dbraw/zinc/70/47/65/1329704765.db2.gz RNGQXLKXBCUIDA-UHFFFAOYSA-N 1 0 339.823 3.033 10 5 EGBERO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC000865965705 1329755320 /nfs/dbraw/zinc/75/53/20/1329755320.db2.gz PCODUGXEJZPLLF-CQSZACIVSA-N 1 0 337.395 3.045 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000866023820 1329759895 /nfs/dbraw/zinc/75/98/95/1329759895.db2.gz WACDMWOQCKWITH-UHFFFAOYSA-N 1 0 348.403 3.348 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000866205969 1330078346 /nfs/dbraw/zinc/07/83/46/1330078346.db2.gz PEBGBMYRYMFNAX-ZWNOBZJWSA-N 1 0 329.322 3.144 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@H]21 ZINC000866207710 1330078526 /nfs/dbraw/zinc/07/85/26/1330078526.db2.gz JBQUVMZBTNMRPT-XJKSGUPXSA-N 1 0 344.440 3.249 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000866350423 1330100564 /nfs/dbraw/zinc/10/05/64/1330100564.db2.gz BDPWWDUAIINWLT-NVPAJSRCSA-N 1 0 335.423 3.271 10 5 EGBERO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866478132 1330117170 /nfs/dbraw/zinc/11/71/70/1330117170.db2.gz DXFRZHUXUNEAHJ-LBPRGKRZSA-N 1 0 327.384 3.101 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cccc1[N+](=O)[O-] ZINC000866534237 1330123282 /nfs/dbraw/zinc/12/32/82/1330123282.db2.gz PZHANPAOTWHZSJ-CABCVRRESA-N 1 0 334.416 3.140 10 5 EGBERO Cn1cc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2cccnc21 ZINC000866574109 1330128756 /nfs/dbraw/zinc/12/87/56/1330128756.db2.gz RHNDOMHQUMTQIT-KRWDZBQOSA-N 1 0 336.395 3.301 10 5 EGBERO COc1cc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)ccc1[N+](=O)[O-] ZINC000867989943 1330237599 /nfs/dbraw/zinc/23/75/99/1330237599.db2.gz GLQPUGDNHLTYLQ-MRXNPFEDSA-N 1 0 341.367 3.042 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001323325645 1387339133 /nfs/dbraw/zinc/33/91/33/1387339133.db2.gz YDCZLAUKGCSKOY-HUUCEWRRSA-N 1 0 347.394 3.116 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001190691664 1367328295 /nfs/dbraw/zinc/32/82/95/1367328295.db2.gz OOLCVKUWEFYJHW-UHFFFAOYSA-N 1 0 346.406 3.194 10 5 EGBERO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC001191101226 1367423807 /nfs/dbraw/zinc/42/38/07/1367423807.db2.gz VGAMAMQJRLGNJT-LSDHHAIUSA-N 1 0 338.452 3.015 10 5 EGBERO CCO[C@@H]1C[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821520 1367602203 /nfs/dbraw/zinc/60/22/03/1367602203.db2.gz NZRGHQOQUGGVCL-LSDHHAIUSA-N 1 0 338.452 3.015 10 5 EGBERO Cc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001197928911 1368926392 /nfs/dbraw/zinc/92/63/92/1368926392.db2.gz AFMOUBSGHXGAGL-HNNXBMFYSA-N 1 0 326.400 3.009 10 5 EGBERO CC[NH+](CC)C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001118863382 1371243017 /nfs/dbraw/zinc/24/30/17/1371243017.db2.gz PBCUGJJVAUSPBC-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001187687287 1388142702 /nfs/dbraw/zinc/14/27/02/1388142702.db2.gz XCUZSIVLBHCJGM-QGZVFWFLSA-N 1 0 334.379 3.294 10 5 EGBERO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001131096154 1373643613 /nfs/dbraw/zinc/64/36/13/1373643613.db2.gz QLHDREOPHHRAOO-AWEZNQCLSA-N 1 0 347.459 3.495 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001294471648 1382462323 /nfs/dbraw/zinc/46/23/23/1382462323.db2.gz BZGVCBFYNXQHRH-BBRMVZONSA-N 1 0 333.432 3.067 10 5 EGBERO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397396 1383622783 /nfs/dbraw/zinc/62/27/83/1383622783.db2.gz NKXIYGHEVLPABC-WBVHZDCISA-N 1 0 343.427 3.281 10 5 EGBERO CCO[C@H]1C[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167475293 1383644923 /nfs/dbraw/zinc/64/49/23/1383644923.db2.gz ZFYYQTRSTRNVNI-SJORKVTESA-N 1 0 336.432 3.499 10 5 EGBERO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547602 1384000671 /nfs/dbraw/zinc/00/06/71/1384000671.db2.gz DYTFCQPKGDLGHO-PBHICJAKSA-N 1 0 345.443 3.385 10 5 EGBERO C/C=C/C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001307973852 1384065753 /nfs/dbraw/zinc/06/57/53/1384065753.db2.gz JNFBSZWYPILHOU-FAAWYNLUSA-N 1 0 343.427 3.162 10 5 EGBERO Cc1cc([C@@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001308110395 1384094480 /nfs/dbraw/zinc/09/44/80/1384094480.db2.gz YJIIAEXWRUPOMZ-HNNXBMFYSA-N 1 0 330.388 3.232 10 5 EGBERO CN(C(=O)CC1(C)CC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001316932800 1384703859 /nfs/dbraw/zinc/70/38/59/1384703859.db2.gz HBZMSPAELNAVBX-UHFFFAOYSA-N 1 0 345.443 3.208 10 5 EGBERO O=C(C[N@@H+]1CC=CC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001176995535 1385768107 /nfs/dbraw/zinc/76/81/07/1385768107.db2.gz MISZGFPGALAATJ-UHFFFAOYSA-N 1 0 341.411 3.059 10 5 EGBERO C[N@@H+]1C[C@@]23CN(Cc4c(F)cccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001177009136 1385772166 /nfs/dbraw/zinc/77/21/66/1385772166.db2.gz YOGLTOLTZHZWHP-HDICACEKSA-N 1 0 333.407 3.042 10 5 EGBERO CC(C)=CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001319331766 1386064220 /nfs/dbraw/zinc/06/42/20/1386064220.db2.gz ORMHEAHCQULISL-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001329571322 1389160222 /nfs/dbraw/zinc/16/02/22/1389160222.db2.gz JXQFRZQUECVXNA-PEBLQZBPSA-N 1 0 340.374 3.298 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1 ZINC001334157996 1390491183 /nfs/dbraw/zinc/49/11/83/1390491183.db2.gz ZJNCBNLFBOKIDA-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO C[C@H](C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001349768714 1391364959 /nfs/dbraw/zinc/36/49/59/1391364959.db2.gz ZWKFKNWJKMOGNA-ZDUSSCGKSA-N 1 0 333.432 3.077 10 5 EGBERO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H](CCF)C3)c2)cc1 ZINC001350480450 1391469278 /nfs/dbraw/zinc/46/92/78/1391469278.db2.gz RVUJSECEOQVZHS-CQSZACIVSA-N 1 0 332.379 3.487 10 5 EGBERO C=Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001481282502 1393157748 /nfs/dbraw/zinc/15/77/48/1393157748.db2.gz REDRKPWOSWHRQD-UHFFFAOYSA-N 1 0 339.395 3.100 10 5 EGBERO CC[N@H+](CCCNC(=O)c1occc1C)Cc1ccccc1[N+](=O)[O-] ZINC001689918690 1404208173 /nfs/dbraw/zinc/20/81/73/1404208173.db2.gz MLGFAQRECKMJBO-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001732390291 1428560019 /nfs/dbraw/zinc/56/00/19/1428560019.db2.gz UDNXWZHBHAGCND-BNNQUZSASA-N 1 0 331.416 3.080 10 5 EGBERO Cc1ccccc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001699490437 1412886416 /nfs/dbraw/zinc/88/64/16/1412886416.db2.gz JNUCTUTUGHKHBM-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO C=C/C(C)=C\CC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001732589722 1428809962 /nfs/dbraw/zinc/80/99/62/1428809962.db2.gz PFWRACRBHXAWBI-UUASQNMZSA-N 1 0 331.416 3.007 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCCC1 ZINC001713570389 1418379507 /nfs/dbraw/zinc/37/95/07/1418379507.db2.gz DHBHQFOQHLWOHR-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC=CCC1 ZINC001715537187 1420232799 /nfs/dbraw/zinc/23/27/99/1420232799.db2.gz PWFUOVJDAUYAEV-UHFFFAOYSA-N 1 0 345.443 3.231 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccc(C)c1 ZINC001715718216 1420309933 /nfs/dbraw/zinc/30/99/33/1420309933.db2.gz RGADUVSLYVHWCQ-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC(C)=C(C)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716690589 1420842695 /nfs/dbraw/zinc/84/26/95/1420842695.db2.gz JGOOQGNJJKNRNO-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO CC/C=C(\C)C(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001723995194 1424619707 /nfs/dbraw/zinc/61/97/07/1424619707.db2.gz WCNFFOPVVYWZCC-VIZOYTHASA-N 1 0 345.443 3.422 10 5 EGBERO CC/C(C)=C/C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001724783512 1425149186 /nfs/dbraw/zinc/14/91/86/1425149186.db2.gz MVANYHGIKNIECI-KPKJPENVSA-N 1 0 337.445 3.141 10 5 EGBERO COc1ccc(Oc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])cc1 ZINC000040586497 213355006 /nfs/dbraw/zinc/35/50/06/213355006.db2.gz YWHQGTLQCSNHIP-UHFFFAOYSA-N 1 0 339.311 3.324 10 5 EGBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186552461 296194137 /nfs/dbraw/zinc/19/41/37/296194137.db2.gz JVWUBGSIGBTNNS-LBPRGKRZSA-N 1 0 345.424 3.166 10 5 EGBERO Cc1cc([C@](C)(O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000266145851 248129434 /nfs/dbraw/zinc/12/94/34/248129434.db2.gz IRFCXLVMUNOJSQ-MRXNPFEDSA-N 1 0 338.791 3.455 10 5 EGBERO Cc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000092812573 218169566 /nfs/dbraw/zinc/16/95/66/218169566.db2.gz AVQHJAXVDVBLRY-INIZCTEOSA-N 1 0 326.400 3.232 10 5 EGBERO CCC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268861475 252309735 /nfs/dbraw/zinc/30/97/35/252309735.db2.gz ROQIWDSCQOGCFV-HTWSVDAQSA-N 1 0 333.432 3.473 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000172169032 144017137 /nfs/dbraw/zinc/01/71/37/144017137.db2.gz GNKCNCVTMPWHAG-NWDGAFQWSA-N 1 0 335.404 3.099 10 5 EGBERO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341279670 155227649 /nfs/dbraw/zinc/22/76/49/155227649.db2.gz YFIFHVZFZXWFCU-OAHLLOKOSA-N 1 0 326.400 3.187 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)C1CCOCC1 ZINC000119645228 152219825 /nfs/dbraw/zinc/21/98/25/152219825.db2.gz CYYBSINKRUSFGR-UHFFFAOYSA-N 1 0 349.431 3.121 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189949792 153106838 /nfs/dbraw/zinc/10/68/38/153106838.db2.gz ANSILPQHNDCNQI-UHFFFAOYSA-N 1 0 332.429 3.436 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341051168 155130048 /nfs/dbraw/zinc/13/00/48/155130048.db2.gz ZPYRCAIDTNLJMA-STQMWFEESA-N 1 0 345.399 3.334 10 5 EGBERO CO[C@H](CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000345484753 156125834 /nfs/dbraw/zinc/12/58/34/156125834.db2.gz MRENQXCANACPGS-SMDDNHRTSA-N 1 0 334.338 3.473 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000125727265 162285804 /nfs/dbraw/zinc/28/58/04/162285804.db2.gz PUDKIDKWGBRLKG-JSGCOSHPSA-N 1 0 334.420 3.062 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccco1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000343818430 164042033 /nfs/dbraw/zinc/04/20/33/164042033.db2.gz VWILDNYECDLGRK-UHFFFAOYSA-N 1 0 343.387 3.022 10 5 EGBERO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352400877 165381390 /nfs/dbraw/zinc/38/13/90/165381390.db2.gz VRSAVCKQPXPYQE-MRXNPFEDSA-N 1 0 333.432 3.054 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355220485 166138209 /nfs/dbraw/zinc/13/82/09/166138209.db2.gz LIMPEXOTIKILLO-GJZGRUSLSA-N 1 0 334.416 3.242 10 5 EGBERO CC(C)(C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000357839710 166787871 /nfs/dbraw/zinc/78/78/71/166787871.db2.gz YUHAAWUATZJFRI-UHFFFAOYSA-N 1 0 345.443 3.006 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000359096905 167065783 /nfs/dbraw/zinc/06/57/83/167065783.db2.gz LEGCGGVHCPIJLU-DOTOQJQBSA-N 1 0 326.400 3.464 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000365143684 168028248 /nfs/dbraw/zinc/02/82/48/168028248.db2.gz WLGCGKKEPCBAJW-MRXNPFEDSA-N 1 0 328.416 3.328 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278412146 268006844 /nfs/dbraw/zinc/00/68/44/268006844.db2.gz QDZSMNNBFHKUPY-JSGCOSHPSA-N 1 0 332.322 3.038 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cccc1[N+](=O)[O-] ZINC000283470341 275726215 /nfs/dbraw/zinc/72/62/15/275726215.db2.gz WDSBMDWPHALBRX-MPGHIAIKSA-N 1 0 348.443 3.122 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000367542588 278035745 /nfs/dbraw/zinc/03/57/45/278035745.db2.gz QLDLBLFGZKCZNT-RDJZCZTQSA-N 1 0 345.443 3.209 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000359088662 280399265 /nfs/dbraw/zinc/39/92/65/280399265.db2.gz AEBXDNUCKXFTKG-GDBMZVCRSA-N 1 0 330.432 3.060 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248832775 302039746 /nfs/dbraw/zinc/03/97/46/302039746.db2.gz MSEFHJACZFAZOS-YJBOKZPZSA-N 1 0 339.395 3.078 10 5 EGBERO CC(C)COC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000054321836 307337517 /nfs/dbraw/zinc/33/75/17/307337517.db2.gz SGGFLCDJWOZKEO-UHFFFAOYSA-N 1 0 349.431 3.060 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248451341 308003610 /nfs/dbraw/zinc/00/36/10/308003610.db2.gz JBYBGKVHQQZZLY-VQIMIIECSA-N 1 0 346.427 3.157 10 5 EGBERO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000255144653 308042181 /nfs/dbraw/zinc/04/21/81/308042181.db2.gz LRIXPKVNFYTEIE-CNRGFGOASA-N 1 0 347.459 3.041 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](CO)C3)o2)c1 ZINC000414585475 309090852 /nfs/dbraw/zinc/09/08/52/309090852.db2.gz UBOZXYSMYCZDKL-HIFRSBDPSA-N 1 0 330.384 3.496 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](O)C(F)F ZINC000295086410 308289517 /nfs/dbraw/zinc/28/95/17/308289517.db2.gz RBZWIPNDRILBOJ-DOMZBBRYSA-N 1 0 340.326 3.349 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](O)C(F)F ZINC000295097397 308291127 /nfs/dbraw/zinc/29/11/27/308291127.db2.gz SFTDRHSXKLMMGE-ZFWWWQNUSA-N 1 0 340.326 3.349 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)[C@H](O)C(F)F ZINC000296308796 308414200 /nfs/dbraw/zinc/41/42/00/308414200.db2.gz GFJYIDUQDKJYGN-SUNKGSAMSA-N 1 0 348.415 3.460 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000299613785 308681553 /nfs/dbraw/zinc/68/15/53/308681553.db2.gz IYFSEVVADPITON-KRWDZBQOSA-N 1 0 345.374 3.075 10 5 EGBERO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415702792 309141423 /nfs/dbraw/zinc/14/14/23/309141423.db2.gz PVALHVHOPCHQLZ-ZDUSSCGKSA-N 1 0 334.420 3.108 10 5 EGBERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420254361 309278162 /nfs/dbraw/zinc/27/81/62/309278162.db2.gz DBMBGUZOHBBAMP-ZYHUDNBSSA-N 1 0 329.322 3.110 10 5 EGBERO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421848852 309343276 /nfs/dbraw/zinc/34/32/76/309343276.db2.gz BBBQTXKCZANJAU-YEWWUXTCSA-N 1 0 345.443 3.244 10 5 EGBERO C[C@@H]1C[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385185 309398259 /nfs/dbraw/zinc/39/82/59/309398259.db2.gz QNTOQNLGGINZDW-DKSSEZFCSA-N 1 0 325.412 3.414 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433079664 309678086 /nfs/dbraw/zinc/67/80/86/309678086.db2.gz XQDKWNUJXBYFLA-SEEARECTSA-N 1 0 347.415 3.100 10 5 EGBERO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538891 309981311 /nfs/dbraw/zinc/98/13/11/309981311.db2.gz DSXCSECXMMXUIA-ZOBUZTSGSA-N 1 0 338.452 3.052 10 5 EGBERO COC1CCC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447588471 309983356 /nfs/dbraw/zinc/98/33/56/309983356.db2.gz VAJCKANEYHDWNC-CKUJCDMFSA-N 1 0 336.436 3.070 10 5 EGBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449513533 310068317 /nfs/dbraw/zinc/06/83/17/310068317.db2.gz SPFKXPAUJSZRSS-OCCSQVGLSA-N 1 0 326.780 3.070 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449665800 310079014 /nfs/dbraw/zinc/07/90/14/310079014.db2.gz DCTSXJGNGOYAAC-BWVWPTMKSA-N 1 0 344.333 3.243 10 5 EGBERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000450361524 310117871 /nfs/dbraw/zinc/11/78/71/310117871.db2.gz FQSVPJXWKZYXMK-KRWDZBQOSA-N 1 0 340.427 3.338 10 5 EGBERO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451357324 310173907 /nfs/dbraw/zinc/17/39/07/310173907.db2.gz YPXVPFPWLRFQER-INMHGKMJSA-N 1 0 334.416 3.119 10 5 EGBERO CC(C)(C)[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488068312 311049877 /nfs/dbraw/zinc/04/98/77/311049877.db2.gz LUAVFCVKYFVFGI-UHFFFAOYSA-N 1 0 328.416 3.240 10 5 EGBERO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515704362 312294782 /nfs/dbraw/zinc/29/47/82/312294782.db2.gz WHQXIWAQOOXQBB-GFCCVEGCSA-N 1 0 347.415 3.329 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000527288898 312850757 /nfs/dbraw/zinc/85/07/57/312850757.db2.gz JARQCKSYDBJRPV-DHDCSXOGSA-N 1 0 338.407 3.118 10 5 EGBERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000553363895 315260266 /nfs/dbraw/zinc/26/02/66/315260266.db2.gz VVEYBNFGEFYSME-XJKSGUPXSA-N 1 0 326.400 3.206 10 5 EGBERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566118257 316420660 /nfs/dbraw/zinc/42/06/60/316420660.db2.gz YYNMWEICQIEINE-YJYMSZOUSA-N 1 0 339.395 3.447 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1NC1CC([NH+]3CCCCC3)C1)CCCC2 ZINC000568860335 316833150 /nfs/dbraw/zinc/83/31/50/316833150.db2.gz KRJPWOWSUWEWRO-UHFFFAOYSA-N 1 0 330.432 3.297 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350645604 324110876 /nfs/dbraw/zinc/11/08/76/324110876.db2.gz RRVJPFXFDAEMBX-AWEZNQCLSA-N 1 0 346.387 3.124 10 5 EGBERO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382463823 324250460 /nfs/dbraw/zinc/25/04/60/324250460.db2.gz YSRNMUPQEOIUGF-NXEZZACHSA-N 1 0 328.210 3.348 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000008248308 453181473 /nfs/dbraw/zinc/18/14/73/453181473.db2.gz JSFQOLCXAYQCFX-NSHDSACASA-N 1 0 349.337 3.471 10 5 EGBERO O=[N+]([O-])c1cnccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000066811278 453875643 /nfs/dbraw/zinc/87/56/43/453875643.db2.gz RGYIYFZCVPFPRJ-UHFFFAOYSA-N 1 0 332.429 3.375 10 5 EGBERO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1Cc2ccccc2C1 ZINC000069418298 454103162 /nfs/dbraw/zinc/10/31/62/454103162.db2.gz HHGFEQJBXBRAQZ-UHFFFAOYSA-N 1 0 340.379 3.061 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]C2CCN(CC(F)F)CC2)ccc1Cl ZINC000071792579 454218203 /nfs/dbraw/zinc/21/82/03/454218203.db2.gz INYOXFKPZUKIMH-UHFFFAOYSA-N 1 0 333.766 3.067 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068879 454271325 /nfs/dbraw/zinc/27/13/25/454271325.db2.gz LVRWMMLONOONQL-GWCFXTLKSA-N 1 0 334.401 3.119 10 5 EGBERO CC[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090518076 454315220 /nfs/dbraw/zinc/31/52/20/454315220.db2.gz QDFMUBLPRXRSHC-KRWDZBQOSA-N 1 0 348.447 3.221 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000072802356 454342881 /nfs/dbraw/zinc/34/28/81/454342881.db2.gz IHJKCEHZDXDTHT-CZUORRHYSA-N 1 0 328.368 3.428 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000097288916 454431601 /nfs/dbraw/zinc/43/16/01/454431601.db2.gz XKLGQXPEZFHQRI-IVZVJUQRSA-N 1 0 334.322 3.209 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000091686372 454457957 /nfs/dbraw/zinc/45/79/57/454457957.db2.gz SZXQLHZABSQBPY-MQVJKMGUSA-N 1 0 345.443 3.265 10 5 EGBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000080574581 454601406 /nfs/dbraw/zinc/60/14/06/454601406.db2.gz ZXRJNSRMXQHKHZ-UHFFFAOYSA-N 1 0 347.337 3.138 10 5 EGBERO Cc1c(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123587964 454655583 /nfs/dbraw/zinc/65/55/83/454655583.db2.gz SDIATDYJUZHUFX-CVEARBPZSA-N 1 0 336.457 3.390 10 5 EGBERO CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000105851450 454659060 /nfs/dbraw/zinc/65/90/60/454659060.db2.gz TYVZYZPEGONRBD-CQSZACIVSA-N 1 0 342.399 3.139 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c2ccncc21 ZINC000052357553 454669820 /nfs/dbraw/zinc/66/98/20/454669820.db2.gz JWYXKVDDWATBHR-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286635 454724185 /nfs/dbraw/zinc/72/41/85/454724185.db2.gz MZBSOHTYFLRTAT-UKRRQHHQSA-N 1 0 332.404 3.420 10 5 EGBERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176682778 454771753 /nfs/dbraw/zinc/77/17/53/454771753.db2.gz VWIKOSQJPLYJLG-DLBZAZTESA-N 1 0 348.447 3.172 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176724620 454775548 /nfs/dbraw/zinc/77/55/48/454775548.db2.gz OAKDVZVVIQJQRR-HOCLYGCPSA-N 1 0 348.447 3.090 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000177191014 454834609 /nfs/dbraw/zinc/83/46/09/454834609.db2.gz LPLZHTCRCKHAFK-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO CN(C)c1ncccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154722758 454923891 /nfs/dbraw/zinc/92/38/91/454923891.db2.gz CKVNLQQWZAADHI-KRWDZBQOSA-N 1 0 340.427 3.167 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000185091454 455500286 /nfs/dbraw/zinc/50/02/86/455500286.db2.gz MSXCXHOXXWINCY-ZDUSSCGKSA-N 1 0 348.428 3.429 10 5 EGBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2cccnc2)cc1 ZINC000181275890 455311477 /nfs/dbraw/zinc/31/14/77/455311477.db2.gz IUKCQRVJQWUDNW-CQSZACIVSA-N 1 0 337.383 3.204 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181536187 455351259 /nfs/dbraw/zinc/35/12/59/455351259.db2.gz UKUNUTRRUVEUJL-KRWDZBQOSA-N 1 0 333.432 3.332 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185523045 455571971 /nfs/dbraw/zinc/57/19/71/455571971.db2.gz FZSALGHELMAXLT-CQSZACIVSA-N 1 0 334.420 3.289 10 5 EGBERO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+](C)C1CC1 ZINC000277794530 455668495 /nfs/dbraw/zinc/66/84/95/455668495.db2.gz VRHMRHYAFBMQNG-CYBMUJFWSA-N 1 0 349.434 3.306 10 5 EGBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277830019 455678899 /nfs/dbraw/zinc/67/88/99/455678899.db2.gz RLUWNUZESAQHBC-GYSYKLTISA-N 1 0 332.322 3.291 10 5 EGBERO C[C@@H]1COCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000277900517 455702756 /nfs/dbraw/zinc/70/27/56/455702756.db2.gz OYSZXBFHWDLIRW-IAQYHMDHSA-N 1 0 333.413 3.233 10 5 EGBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285015993 455777318 /nfs/dbraw/zinc/77/73/18/455777318.db2.gz ZKCZUNUUKBFKAE-AWEZNQCLSA-N 1 0 339.823 3.129 10 5 EGBERO Cc1sc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187267310 455888995 /nfs/dbraw/zinc/88/89/95/455888995.db2.gz HYKKSTHXWVDDCX-BZNIZROVSA-N 1 0 347.440 3.386 10 5 EGBERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000195518236 455976800 /nfs/dbraw/zinc/97/68/00/455976800.db2.gz WIZOHHATCCSNMU-CQSZACIVSA-N 1 0 330.388 3.049 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000301484627 456127327 /nfs/dbraw/zinc/12/73/27/456127327.db2.gz VOCPAVMXXWDKCQ-ZDUSSCGKSA-N 1 0 337.395 3.197 10 5 EGBERO CCOc1cc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301550714 456144927 /nfs/dbraw/zinc/14/49/27/456144927.db2.gz VILPRKQHVBUKLH-UHFFFAOYSA-N 1 0 333.432 3.306 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000273188693 456206795 /nfs/dbraw/zinc/20/67/95/456206795.db2.gz CFDRDWPOKMHZKV-FYWRMAATSA-N 1 0 345.443 3.329 10 5 EGBERO Cc1cc(NCc2nnc3ccccn32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302198267 456314463 /nfs/dbraw/zinc/31/44/63/456314463.db2.gz UCUKSEYCSNPJRV-UHFFFAOYSA-N 1 0 334.339 3.106 10 5 EGBERO CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000601149833 460732201 /nfs/dbraw/zinc/73/22/01/460732201.db2.gz QIBJJNOOCWRMMI-IBGZPJMESA-N 1 0 344.411 3.299 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000298715610 456523759 /nfs/dbraw/zinc/52/37/59/456523759.db2.gz BUZSRURGDKJMKC-OAHLLOKOSA-N 1 0 345.443 3.380 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000326716496 456697857 /nfs/dbraw/zinc/69/78/57/456697857.db2.gz PRZIOZUDFJIFLD-ZACQAIPSSA-N 1 0 334.416 3.119 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000326716493 456698531 /nfs/dbraw/zinc/69/85/31/456698531.db2.gz PRZIOZUDFJIFLD-BBWFWOEESA-N 1 0 334.416 3.119 10 5 EGBERO CC1(C)C[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617214 456806329 /nfs/dbraw/zinc/80/63/29/456806329.db2.gz CNLWPPQZFFVMEB-APPDUMDISA-N 1 0 326.400 3.187 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291957742 456810619 /nfs/dbraw/zinc/81/06/19/456810619.db2.gz UXCMWLGMPAOXJO-HNAYVOBHSA-N 1 0 326.396 3.292 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000359088664 457052034 /nfs/dbraw/zinc/05/20/34/457052034.db2.gz AEBXDNUCKXFTKG-GOEBONIOSA-N 1 0 330.432 3.060 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000354553749 457287088 /nfs/dbraw/zinc/28/70/88/457287088.db2.gz PDTIYUSFVILXAH-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO CC(C)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000425450157 457559079 /nfs/dbraw/zinc/55/90/79/457559079.db2.gz UTBKJNCRJSRTIU-ZDUSSCGKSA-N 1 0 343.221 3.357 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)C1CC1 ZINC000433067908 457749366 /nfs/dbraw/zinc/74/93/66/457749366.db2.gz MVYQCFDBSFSCBK-QGZVFWFLSA-N 1 0 344.455 3.448 10 5 EGBERO CC[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493393 458069219 /nfs/dbraw/zinc/06/92/19/458069219.db2.gz GSCICTIWNKUSCG-PBHICJAKSA-N 1 0 348.447 3.077 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000430199691 458419855 /nfs/dbraw/zinc/41/98/55/458419855.db2.gz DKDRBACJPDWPJH-SCLBCKFNSA-N 1 0 342.395 3.427 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437853898 458502752 /nfs/dbraw/zinc/50/27/52/458502752.db2.gz PJVPOYQBXUUFPY-QGZVFWFLSA-N 1 0 345.443 3.430 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423983100 458530534 /nfs/dbraw/zinc/53/05/34/458530534.db2.gz VHQPKYJENHRDPB-RDJZCZTQSA-N 1 0 345.443 3.322 10 5 EGBERO Cc1c([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)cccc1[N+](=O)[O-] ZINC000462811492 458657659 /nfs/dbraw/zinc/65/76/59/458657659.db2.gz WYXSMNURHJNPLL-ZDUSSCGKSA-N 1 0 328.416 3.366 10 5 EGBERO CCc1cccc(F)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474280636 458874442 /nfs/dbraw/zinc/87/44/42/458874442.db2.gz OCOXOKSSZRZMFI-AWEZNQCLSA-N 1 0 344.390 3.378 10 5 EGBERO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509723 459067846 /nfs/dbraw/zinc/06/78/46/459067846.db2.gz LPZGYYARSTXKBG-CUYVQJCZSA-N 1 0 347.459 3.060 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594510015 459068240 /nfs/dbraw/zinc/06/82/40/459068240.db2.gz MVJYYYHNHWHACR-HGTKMLMNSA-N 1 0 335.448 3.052 10 5 EGBERO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589407 459101307 /nfs/dbraw/zinc/10/13/07/459101307.db2.gz JLUNNMGTSCGWRQ-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000590577398 459152402 /nfs/dbraw/zinc/15/24/02/459152402.db2.gz BNGSBIJFDDXQSF-UHFFFAOYSA-N 1 0 346.836 3.469 10 5 EGBERO COc1ccc(CNCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000521813804 459178598 /nfs/dbraw/zinc/17/85/98/459178598.db2.gz ADTMHWANIQTWIM-GASCZTMLSA-N 1 0 349.475 3.450 10 5 EGBERO COc1ccc(C[NH2+]CCc2cn(C)c3ccccc23)cc1[N+](=O)[O-] ZINC000594982992 459204520 /nfs/dbraw/zinc/20/45/20/459204520.db2.gz DOBDMXIBWNVQEL-UHFFFAOYSA-N 1 0 339.395 3.427 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@H](O)C34CCC4)o2)c1 ZINC000594988235 459207636 /nfs/dbraw/zinc/20/76/36/459207636.db2.gz NZXIVYNMNNXTKH-SJORKVTESA-N 1 0 328.368 3.248 10 5 EGBERO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595061764 459231488 /nfs/dbraw/zinc/23/14/88/459231488.db2.gz MRUNVMZTJMVYOH-LAVFITLUSA-N 1 0 336.432 3.202 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595063347 459233171 /nfs/dbraw/zinc/23/31/71/459233171.db2.gz QMDPJYMSFMFVHX-FXECBMLZSA-N 1 0 348.443 3.128 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000595074175 459236900 /nfs/dbraw/zinc/23/69/00/459236900.db2.gz UTIAHRCJRUGPKV-CZUORRHYSA-N 1 0 339.395 3.142 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cccc1[N+](=O)[O-] ZINC000595072263 459237121 /nfs/dbraw/zinc/23/71/21/459237121.db2.gz QZDDZFVUWATYHB-XJKSGUPXSA-N 1 0 339.395 3.142 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000595074908 459238781 /nfs/dbraw/zinc/23/87/81/459238781.db2.gz WRGJGNRYZAWFPF-UPJWGTAASA-N 1 0 347.444 3.353 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595089807 459241446 /nfs/dbraw/zinc/24/14/46/459241446.db2.gz MBDFRSMMBVKTNB-WQVCFCJDSA-N 1 0 336.457 3.359 10 5 EGBERO CC[NH+](CC)CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000568387411 459280303 /nfs/dbraw/zinc/28/03/03/459280303.db2.gz BZUYKSVOWFUSMC-UHFFFAOYSA-N 1 0 346.475 3.427 10 5 EGBERO COc1ccc(OCC[N@@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595755155 459427087 /nfs/dbraw/zinc/42/70/87/459427087.db2.gz HHIPVBVXUALVOT-CYBMUJFWSA-N 1 0 326.368 3.054 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592394164 459590107 /nfs/dbraw/zinc/59/01/07/459590107.db2.gz FXVITENUZAZWNL-WNOSKKOXSA-N 1 0 338.473 3.415 10 5 EGBERO Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596314725 459593644 /nfs/dbraw/zinc/59/36/44/459593644.db2.gz NPWKZRLFPABBRB-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO CC[C@@H](NC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451755 459640955 /nfs/dbraw/zinc/64/09/55/459640955.db2.gz ARMFQOINDCSRCB-DLBZAZTESA-N 1 0 348.447 3.172 10 5 EGBERO CC[C@H](NC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451757 459641500 /nfs/dbraw/zinc/64/15/00/459641500.db2.gz ARMFQOINDCSRCB-IRXDYDNUSA-N 1 0 348.447 3.172 10 5 EGBERO Cc1cc(N2CCO[C@@](C)(C(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596572437 459681957 /nfs/dbraw/zinc/68/19/57/459681957.db2.gz OSKNJGRVWKQQTL-MRXNPFEDSA-N 1 0 337.326 3.312 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593055685 459758328 /nfs/dbraw/zinc/75/83/28/459758328.db2.gz ZBINXTRFRPVIQN-UHFFFAOYSA-N 1 0 348.296 3.340 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000585793125 459848840 /nfs/dbraw/zinc/84/88/40/459848840.db2.gz CCRFVZRHCWOWGB-UYWPIULCSA-N 1 0 340.383 3.358 10 5 EGBERO C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)C1O ZINC000597204391 459876719 /nfs/dbraw/zinc/87/67/19/459876719.db2.gz IPPXCZQBBIYAOH-CHWSQXEVSA-N 1 0 330.384 3.304 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)cs2)c1 ZINC000597231241 459885318 /nfs/dbraw/zinc/88/53/18/459885318.db2.gz OXPPGRBZSDROSC-KGLIPLIRSA-N 1 0 345.424 3.187 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598466187 459904496 /nfs/dbraw/zinc/90/44/96/459904496.db2.gz NFEUBDXRHMQQPK-UHFFFAOYSA-N 1 0 327.812 3.098 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593716170 459960500 /nfs/dbraw/zinc/96/05/00/459960500.db2.gz QMCPSOANNFLMIG-FOIQADDNSA-N 1 0 340.423 3.430 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593716945 459961014 /nfs/dbraw/zinc/96/10/14/459961014.db2.gz VQBCVIUFXHBUCC-KUHUBIRLSA-N 1 0 326.396 3.122 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000593724872 459965352 /nfs/dbraw/zinc/96/53/52/459965352.db2.gz AAEJFFHGZHVGJD-SUMWQHHRSA-N 1 0 341.411 3.330 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594040450 460069174 /nfs/dbraw/zinc/06/91/74/460069174.db2.gz FZTYFXRNIYBXJF-WBVHZDCISA-N 1 0 349.431 3.169 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000589373405 460081265 /nfs/dbraw/zinc/08/12/65/460081265.db2.gz AOCRKUXFAYJWCM-UHFFFAOYSA-N 1 0 348.447 3.401 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000599073433 460152141 /nfs/dbraw/zinc/15/21/41/460152141.db2.gz CYHJJPHTXOXFKL-ACJLOTCBSA-N 1 0 339.395 3.381 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599085466 460156451 /nfs/dbraw/zinc/15/64/51/460156451.db2.gz ROFKWNPAAGPAOM-RUENVJTFSA-N 1 0 330.428 3.463 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000599090601 460157537 /nfs/dbraw/zinc/15/75/37/460157537.db2.gz AFRZXLBUGFTOQH-XHSDSOJGSA-N 1 0 346.387 3.247 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2CCc2ccccc2)cc1 ZINC000610678029 460213319 /nfs/dbraw/zinc/21/33/19/460213319.db2.gz JMKHTROEPDURDG-UHFFFAOYSA-N 1 0 336.395 3.324 10 5 EGBERO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599347848 460233816 /nfs/dbraw/zinc/23/38/16/460233816.db2.gz BXGHRNPLUJIMJH-LLVKDONJSA-N 1 0 347.337 3.046 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000599672509 460305014 /nfs/dbraw/zinc/30/50/14/460305014.db2.gz IELZKFNCPUJOGI-AWEZNQCLSA-N 1 0 331.416 3.496 10 5 EGBERO CCOC(=O)CCC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611275030 460325734 /nfs/dbraw/zinc/32/57/34/460325734.db2.gz PRFUUKSVFQDHTD-UHFFFAOYSA-N 1 0 334.416 3.459 10 5 EGBERO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181746436 533861401 /nfs/dbraw/zinc/86/14/01/533861401.db2.gz WGGZTDZZDNCITH-ZDUSSCGKSA-N 1 0 344.367 3.096 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181559262 529154564 /nfs/dbraw/zinc/15/45/64/529154564.db2.gz NYDMCISNVKNZSP-QGZVFWFLSA-N 1 0 345.374 3.091 10 5 EGBERO COC(=O)/C=C\c1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000741750513 576716753 /nfs/dbraw/zinc/71/67/53/576716753.db2.gz WCUNFIDMXGWSST-CHOZFAJLSA-N 1 0 349.431 3.169 10 5 EGBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000870549671 1295936858 /nfs/dbraw/zinc/93/68/58/1295936858.db2.gz FKYNPOUSKNIJOF-SNVBAGLBSA-N 1 0 334.294 3.111 10 5 EGBERO Cc1sc(C(=O)NCCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000870959556 1296155980 /nfs/dbraw/zinc/15/59/80/1296155980.db2.gz MHTBKTLNIFZSJT-UHFFFAOYSA-N 1 0 339.461 3.205 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000870995001 1296171698 /nfs/dbraw/zinc/17/16/98/1296171698.db2.gz AHYUZQBVUARAEU-MRXNPFEDSA-N 1 0 339.823 3.085 10 5 EGBERO COCC[C@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074256 1296719569 /nfs/dbraw/zinc/71/95/69/1296719569.db2.gz ZRIAJPHFWKWGID-VXGBXAGGSA-N 1 0 328.434 3.019 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083318 1296723567 /nfs/dbraw/zinc/72/35/67/1296723567.db2.gz KYMVSVCMGDDIJT-SMDDNHRTSA-N 1 0 345.374 3.161 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089768 1296728443 /nfs/dbraw/zinc/72/84/43/1296728443.db2.gz DXVHAGYJDKWJMA-GDKCJGSASA-N 1 0 347.346 3.015 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncc(Cl)s2)n1 ZINC000872114885 1296741446 /nfs/dbraw/zinc/74/14/46/1296741446.db2.gz DDNRMRKSXWXMGB-VHSXEESVSA-N 1 0 341.824 3.175 10 5 EGBERO CC(=O)c1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000310598712 1297096785 /nfs/dbraw/zinc/09/67/85/1297096785.db2.gz OJTRDANIUWGTKQ-KRWDZBQOSA-N 1 0 340.379 3.451 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c(Cl)c1 ZINC000886234668 1303407401 /nfs/dbraw/zinc/40/74/01/1303407401.db2.gz SKBMZHQIECARQM-AWEZNQCLSA-N 1 0 338.766 3.081 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@]4(O)C3)o2)c(Cl)c1 ZINC000895651332 1309448314 /nfs/dbraw/zinc/44/83/14/1309448314.db2.gz ZZLDZCWTIVXZSM-QFYYESIMSA-N 1 0 334.759 3.075 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898463276 1310744881 /nfs/dbraw/zinc/74/48/81/1310744881.db2.gz XJSJXCKDDWKGAV-ZDUSSCGKSA-N 1 0 342.399 3.346 10 5 EGBERO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858165910 1328701843 /nfs/dbraw/zinc/70/18/43/1328701843.db2.gz RQYNCUNXDRJPDF-UHFFFAOYSA-N 1 0 341.411 3.351 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000858505282 1328782787 /nfs/dbraw/zinc/78/27/87/1328782787.db2.gz HWWNSBAIJKZXAV-DLBZAZTESA-N 1 0 344.411 3.157 10 5 EGBERO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000930207874 1328812225 /nfs/dbraw/zinc/81/22/25/1328812225.db2.gz HBXCYCXXMWSYOU-LDYMZIIASA-N 1 0 342.264 3.194 10 5 EGBERO Cc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000916836844 1319712688 /nfs/dbraw/zinc/71/26/88/1319712688.db2.gz QZFZHHYZGZIWEF-UHFFFAOYSA-N 1 0 340.427 3.052 10 5 EGBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859409388 1328983498 /nfs/dbraw/zinc/98/34/98/1328983498.db2.gz QFAFRKJMWKTGLE-CQSZACIVSA-N 1 0 341.411 3.162 10 5 EGBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC000859560480 1329017962 /nfs/dbraw/zinc/01/79/62/1329017962.db2.gz HKKSXCWAXTZUOK-HIFRSBDPSA-N 1 0 341.411 3.303 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000922612932 1322571013 /nfs/dbraw/zinc/57/10/13/1322571013.db2.gz SGWWHKSKTUFBIH-YHTSIIMFSA-N 1 0 334.416 3.172 10 5 EGBERO Cc1cc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nn1C ZINC000922689530 1322591551 /nfs/dbraw/zinc/59/15/51/1322591551.db2.gz JZDQFLLLMSPMRB-UHFFFAOYSA-N 1 0 340.383 3.229 10 5 EGBERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1CC1CCC1 ZINC000924953362 1323227668 /nfs/dbraw/zinc/22/76/68/1323227668.db2.gz BKKWSTVFPRIPAB-CQSZACIVSA-N 1 0 328.416 3.485 10 5 EGBERO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054965 1329136829 /nfs/dbraw/zinc/13/68/29/1329136829.db2.gz PRHYVMDGPMMZHR-LLVKDONJSA-N 1 0 334.401 3.039 10 5 EGBERO CCc1ccc([C@@H](N[C@@H]2C[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925783345 1325299950 /nfs/dbraw/zinc/29/99/50/1325299950.db2.gz JUZUBUMCXQWFCT-NJAPINKUSA-N 1 0 329.400 3.037 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000927066485 1327837400 /nfs/dbraw/zinc/83/74/00/1327837400.db2.gz LPIOTXROBZLPJH-XAYKYTGQSA-N 1 0 334.416 3.459 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC1CCOCC1 ZINC000927074832 1327843840 /nfs/dbraw/zinc/84/38/40/1327843840.db2.gz DFQOMGDYQUWKRG-GFCCVEGCSA-N 1 0 340.445 3.163 10 5 EGBERO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861510424 1329423236 /nfs/dbraw/zinc/42/32/36/1329423236.db2.gz QYYYJOJZTBVUDV-UHFFFAOYSA-N 1 0 341.411 3.306 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(CNc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000863487787 1329557833 /nfs/dbraw/zinc/55/78/33/1329557833.db2.gz YKDGAHUPAXDDHR-UHFFFAOYSA-N 1 0 333.775 3.342 10 5 EGBERO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863570708 1329563718 /nfs/dbraw/zinc/56/37/18/1329563718.db2.gz YYHIKRZGWPXLFO-SQNIBIBYSA-N 1 0 326.396 3.410 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000863567494 1329563893 /nfs/dbraw/zinc/56/38/93/1329563893.db2.gz DNOQROFZNWICBS-BSDSXHPESA-N 1 0 344.798 3.210 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000863584378 1329564772 /nfs/dbraw/zinc/56/47/72/1329564772.db2.gz ACQNFQFCCZFYRS-GFCCVEGCSA-N 1 0 346.330 3.498 10 5 EGBERO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])nc2)(c2ccccc2)CC1 ZINC000866016881 1329759273 /nfs/dbraw/zinc/75/92/73/1329759273.db2.gz XRJCLVNRMPVBDI-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866315270 1330095387 /nfs/dbraw/zinc/09/53/87/1330095387.db2.gz RSXISICVNHRNLP-GFCCVEGCSA-N 1 0 348.422 3.238 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1c2ccccc2CN1C ZINC000866564128 1330127337 /nfs/dbraw/zinc/12/73/37/1330127337.db2.gz RPNRSYRSLGTUGR-UGSOOPFHSA-N 1 0 341.411 3.441 10 5 EGBERO Cc1c(CC(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000867988643 1330236910 /nfs/dbraw/zinc/23/69/10/1330236910.db2.gz QQSMHISEMCIGOA-GOSISDBHSA-N 1 0 339.395 3.271 10 5 EGBERO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000867989215 1330237294 /nfs/dbraw/zinc/23/72/94/1330237294.db2.gz FBNGNSRDCPHQKH-SFHVURJKSA-N 1 0 339.395 3.353 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)c1 ZINC000867989974 1330237580 /nfs/dbraw/zinc/23/75/80/1330237580.db2.gz HGHHXUSLAVOCFD-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO Cc1ccc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000867991964 1330238224 /nfs/dbraw/zinc/23/82/24/1330238224.db2.gz VABLBUQPZVWKKS-INIZCTEOSA-N 1 0 325.368 3.342 10 5 EGBERO Cn1cc([N+](=O)[O-])c(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC001184564318 1387492824 /nfs/dbraw/zinc/49/28/24/1387492824.db2.gz XTKVRARTAQPGTL-AWEZNQCLSA-N 1 0 349.822 3.231 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001190373692 1367245130 /nfs/dbraw/zinc/24/51/30/1367245130.db2.gz DMPQJRQOGYUVRN-UHFFFAOYSA-N 1 0 346.406 3.194 10 5 EGBERO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001191101222 1367424058 /nfs/dbraw/zinc/42/40/58/1367424058.db2.gz VGAMAMQJRLGNJT-CABCVRRESA-N 1 0 338.452 3.015 10 5 EGBERO CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001195213856 1368402541 /nfs/dbraw/zinc/40/25/41/1368402541.db2.gz KJIMVWOETAKVNJ-AWEZNQCLSA-N 1 0 345.443 3.242 10 5 EGBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001195307717 1368418028 /nfs/dbraw/zinc/41/80/28/1368418028.db2.gz VUQRFRQAIYUMFW-ZFWWWQNUSA-N 1 0 331.416 3.434 10 5 EGBERO Cc1cc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc([N+](=O)[O-])c1 ZINC001123360927 1372442615 /nfs/dbraw/zinc/44/26/15/1372442615.db2.gz SLTDPMMXJIWNOU-UHFFFAOYSA-N 1 0 346.431 3.243 10 5 EGBERO CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001326488886 1388212786 /nfs/dbraw/zinc/21/27/86/1388212786.db2.gz BPVJHVXVSRXQSR-KOMQPUFPSA-N 1 0 333.432 3.160 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC001149051022 1379316653 /nfs/dbraw/zinc/31/66/53/1379316653.db2.gz JTNXWVJYHVGEOY-RDJZCZTQSA-N 1 0 347.459 3.404 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001158546126 1381292753 /nfs/dbraw/zinc/29/27/53/1381292753.db2.gz NJMYXNNKPDQFQF-UHFFFAOYSA-N 1 0 335.448 3.180 10 5 EGBERO CCC[N@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001163437102 1383051451 /nfs/dbraw/zinc/05/14/51/1383051451.db2.gz KKVAHZOJVRXBHV-ZDUSSCGKSA-N 1 0 337.420 3.222 10 5 EGBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001164352197 1383180041 /nfs/dbraw/zinc/18/00/41/1383180041.db2.gz ZOGNOKUWCJHLLC-KGLIPLIRSA-N 1 0 338.839 3.342 10 5 EGBERO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001167765542 1383736106 /nfs/dbraw/zinc/73/61/06/1383736106.db2.gz FRWMVKGSQAOAEB-DLBZAZTESA-N 1 0 336.432 3.499 10 5 EGBERO CC(C)Cc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001307133543 1383942824 /nfs/dbraw/zinc/94/28/24/1383942824.db2.gz JPRWMTYUMWXFGZ-GOSISDBHSA-N 1 0 342.443 3.325 10 5 EGBERO COc1ccc(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC001329069035 1388952269 /nfs/dbraw/zinc/95/22/69/1388952269.db2.gz XDJDBKFVGMFTQT-GXDHUFHOSA-N 1 0 327.384 3.234 10 5 EGBERO COc1cc(CN2CCCC[C@]23CCCOC3)c([N+](=O)[O-])cc1F ZINC001177007651 1385771022 /nfs/dbraw/zinc/77/10/22/1385771022.db2.gz BYLHHFHNTXRWFV-QGZVFWFLSA-N 1 0 338.379 3.278 10 5 EGBERO CC[NH+](CC)CC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001338210026 1389586255 /nfs/dbraw/zinc/58/62/55/1389586255.db2.gz XLQWDXCYHGHJCF-LBPRGKRZSA-N 1 0 334.420 3.012 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)cc1[N+](=O)[O-] ZINC001331971043 1389929327 /nfs/dbraw/zinc/92/93/27/1389929327.db2.gz JBUQRAUQWFLKEC-SRCQZFHVSA-N 1 0 329.404 3.014 10 5 EGBERO CC[N@H+](CCNC(=O)c1cscc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691014107 1404929888 /nfs/dbraw/zinc/92/98/88/1404929888.db2.gz IZUGWBZTGNOUFC-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC(C)=C(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691733898 1405456778 /nfs/dbraw/zinc/45/67/78/1405456778.db2.gz ANGVIFQQCXBKAC-WOVMCDHWSA-N 1 0 345.443 3.326 10 5 EGBERO CC(C)C(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699982936 1413429442 /nfs/dbraw/zinc/42/94/42/1413429442.db2.gz ORWVJXQCRYNTBA-JCNLHEQBSA-N 1 0 347.459 3.263 10 5 EGBERO CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001714293521 1419071984 /nfs/dbraw/zinc/07/19/84/1419071984.db2.gz XUQCQZKQGHCRNW-WKILWMFISA-N 1 0 333.432 3.302 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CCCC1 ZINC001715508494 1420192172 /nfs/dbraw/zinc/19/21/72/1420192172.db2.gz FLTFMCRWFWRVAP-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001716325472 1420605247 /nfs/dbraw/zinc/60/52/47/1420605247.db2.gz AOMMBHHIVIEMDG-AATRIKPKSA-N 1 0 345.443 3.183 10 5 EGBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001717646769 1421548513 /nfs/dbraw/zinc/54/85/13/1421548513.db2.gz JECFWLDEWJPTKJ-UKEBNKRASA-N 1 0 343.427 3.102 10 5 EGBERO C/C=C(\C)C(=O)NCC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001724284250 1424773821 /nfs/dbraw/zinc/77/38/21/1424773821.db2.gz LHNLKPAVAJFVHT-SYZQJQIISA-N 1 0 345.443 3.279 10 5 EGBERO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101910750 219171607 /nfs/dbraw/zinc/17/16/07/219171607.db2.gz UJTAUMFQYNODGL-LSDHHAIUSA-N 1 0 333.432 3.140 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000072064170 216001026 /nfs/dbraw/zinc/00/10/26/216001026.db2.gz VIWJWUMVEAVAQN-GOSISDBHSA-N 1 0 347.459 3.390 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1ccccc1)CCC2 ZINC000192933828 239946015 /nfs/dbraw/zinc/94/60/15/239946015.db2.gz URPQDAKOIVQYQH-APWZRJJASA-N 1 0 326.396 3.338 10 5 EGBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000408448882 169178413 /nfs/dbraw/zinc/17/84/13/169178413.db2.gz BSWZXCIIPADCFR-NFAWXSAZSA-N 1 0 343.431 3.313 10 5 EGBERO CC(C)C[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012559205 211410900 /nfs/dbraw/zinc/41/09/00/211410900.db2.gz ASWYFGVXWWJFQU-AWEZNQCLSA-N 1 0 331.420 3.165 10 5 EGBERO Cc1sc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153923370 224176667 /nfs/dbraw/zinc/17/66/67/224176667.db2.gz FZXYLALGSJTKTJ-GXTWGEPZSA-N 1 0 349.456 3.054 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000123456746 140891507 /nfs/dbraw/zinc/89/15/07/140891507.db2.gz GIWPNAPKQRCTGZ-CQSZACIVSA-N 1 0 343.374 3.112 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341069660 155139184 /nfs/dbraw/zinc/13/91/84/155139184.db2.gz OPIZKPXPOXOYMR-VXGBXAGGSA-N 1 0 339.823 3.241 10 5 EGBERO O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000193835062 153308919 /nfs/dbraw/zinc/30/89/19/153308919.db2.gz RUQBVQKXIFUUEK-OAHLLOKOSA-N 1 0 342.355 3.189 10 5 EGBERO Cn1cc(C[NH2+]CCc2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237921976 153542331 /nfs/dbraw/zinc/54/23/31/153542331.db2.gz IECABYIRBTXTBR-UHFFFAOYSA-N 1 0 342.424 3.389 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000326603664 154183989 /nfs/dbraw/zinc/18/39/89/154183989.db2.gz MMFBYKGNZPONLS-KRWDZBQOSA-N 1 0 327.384 3.113 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341063798 155131488 /nfs/dbraw/zinc/13/14/88/155131488.db2.gz FGMZQLBSYZXCOQ-STQMWFEESA-N 1 0 344.415 3.069 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000135832975 162525472 /nfs/dbraw/zinc/52/54/72/162525472.db2.gz OJOBHIBCPPBNAC-GFCCVEGCSA-N 1 0 339.461 3.167 10 5 EGBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338282230 163205819 /nfs/dbraw/zinc/20/58/19/163205819.db2.gz LMDRCIKNQSUZCS-LBPRGKRZSA-N 1 0 347.337 3.136 10 5 EGBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@H]1C ZINC000338873845 163369834 /nfs/dbraw/zinc/36/98/34/163369834.db2.gz WHTKOAPLDCYYQO-OLZOCXBDSA-N 1 0 344.415 3.069 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000344206719 164126504 /nfs/dbraw/zinc/12/65/04/164126504.db2.gz FOLSOBHCVIWORO-CYBMUJFWSA-N 1 0 330.384 3.420 10 5 EGBERO COc1ccccc1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352298585 165330024 /nfs/dbraw/zinc/33/00/24/165330024.db2.gz ZAOVLVRMJWNSHU-NSHDSACASA-N 1 0 326.356 3.331 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359538903 167184020 /nfs/dbraw/zinc/18/40/20/167184020.db2.gz BDOLCLLMRBRHNB-GLJUWKHASA-N 1 0 331.416 3.434 10 5 EGBERO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000359850185 167248633 /nfs/dbraw/zinc/24/86/33/167248633.db2.gz JTLLGGBQKHZKAE-KRWDZBQOSA-N 1 0 326.400 3.312 10 5 EGBERO Cc1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000366755178 168136270 /nfs/dbraw/zinc/13/62/70/168136270.db2.gz FWCJAGSRYDDVOE-UHFFFAOYSA-N 1 0 332.404 3.042 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870638 222175460 /nfs/dbraw/zinc/17/54/60/222175460.db2.gz KHXSOCWBKHYKOI-MRXNPFEDSA-N 1 0 328.416 3.499 10 5 EGBERO C[NH2+]CC1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000234354659 266207795 /nfs/dbraw/zinc/20/77/95/266207795.db2.gz VDNUFXAWHAOTNO-UHFFFAOYSA-N 1 0 342.237 3.102 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000273373925 267028861 /nfs/dbraw/zinc/02/88/61/267028861.db2.gz GGMJQIPHRNFZTF-NPMABZOXSA-N 1 0 332.425 3.491 10 5 EGBERO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000047447822 275141675 /nfs/dbraw/zinc/14/16/75/275141675.db2.gz PREBTVGLNARRGA-UHFFFAOYSA-N 1 0 342.399 3.392 10 5 EGBERO CN1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284433805 275800315 /nfs/dbraw/zinc/80/03/15/275800315.db2.gz YTRVGUBCPCVPGH-QFBILLFUSA-N 1 0 341.411 3.009 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286636944 276026113 /nfs/dbraw/zinc/02/61/13/276026113.db2.gz SUTHWJBYISJRCY-QKCSRTOESA-N 1 0 332.322 3.149 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000367542587 278035758 /nfs/dbraw/zinc/03/57/58/278035758.db2.gz QLDLBLFGZKCZNT-DOTOQJQBSA-N 1 0 345.443 3.209 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067210049 280658453 /nfs/dbraw/zinc/65/84/53/280658453.db2.gz YQYQTKAWCIUCHH-INIZCTEOSA-N 1 0 339.395 3.036 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000362759853 290221120 /nfs/dbraw/zinc/22/11/20/290221120.db2.gz RGQAJKWOVTVZPX-ROUUACIJSA-N 1 0 329.375 3.269 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248451338 308003720 /nfs/dbraw/zinc/00/37/20/308003720.db2.gz JBYBGKVHQQZZLY-QFBILLFUSA-N 1 0 346.427 3.157 10 5 EGBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000331135531 308802343 /nfs/dbraw/zinc/80/23/43/308802343.db2.gz COFZHKMDHHGNKM-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH3+])CCCCCC1 ZINC000415300091 309130410 /nfs/dbraw/zinc/13/04/10/309130410.db2.gz RJYAPYUUWMJDFG-UHFFFAOYSA-N 1 0 334.420 3.385 10 5 EGBERO CC(=O)NC1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417348211 309202636 /nfs/dbraw/zinc/20/26/36/309202636.db2.gz YLKIWVOQYALACV-LADRWXRNSA-N 1 0 345.443 3.399 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000421486238 309326816 /nfs/dbraw/zinc/32/68/16/309326816.db2.gz WZHLOVFMIXJUSD-ZBFHGGJFSA-N 1 0 333.432 3.014 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422708943 309363979 /nfs/dbraw/zinc/36/39/79/309363979.db2.gz CLQSOUWOIKEOJY-GVDBMIGSSA-N 1 0 333.432 3.004 10 5 EGBERO CC[C@H]([NH2+]CCCNCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423192508 309389954 /nfs/dbraw/zinc/38/99/54/309389954.db2.gz VOBOCINREWCIFW-SFHVURJKSA-N 1 0 328.416 3.210 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216033 309390813 /nfs/dbraw/zinc/39/08/13/309390813.db2.gz RHDYDNAYQLORGJ-HNAYVOBHSA-N 1 0 325.412 3.273 10 5 EGBERO C[S@@](=O)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442810393 309888231 /nfs/dbraw/zinc/88/82/31/309888231.db2.gz NFWQZJOTSLFBRD-MZNJEOGPSA-N 1 0 344.436 3.185 10 5 EGBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425654 310060982 /nfs/dbraw/zinc/06/09/82/310060982.db2.gz QEPXDBMHTYVQAT-CZUORRHYSA-N 1 0 330.384 3.448 10 5 EGBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429884 310061245 /nfs/dbraw/zinc/06/12/45/310061245.db2.gz VIEPXGVAWRRBMV-BBRMVZONSA-N 1 0 347.440 3.311 10 5 EGBERO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000456692758 310418216 /nfs/dbraw/zinc/41/82/16/310418216.db2.gz MHZZCMKLNMXYIS-UHFFFAOYSA-N 1 0 337.420 3.160 10 5 EGBERO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459778899 310574970 /nfs/dbraw/zinc/57/49/70/310574970.db2.gz TVZIFSKZNNWXEG-UHFFFAOYSA-N 1 0 337.807 3.499 10 5 EGBERO C[NH+](C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccsc1 ZINC000487912749 311042539 /nfs/dbraw/zinc/04/25/39/311042539.db2.gz HAQAMNWMMYSFKL-OAHLLOKOSA-N 1 0 342.424 3.341 10 5 EGBERO Cc1c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000521695613 312556400 /nfs/dbraw/zinc/55/64/00/312556400.db2.gz AGSUJSVCIKMORS-OAHLLOKOSA-N 1 0 346.431 3.385 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000540706746 314398086 /nfs/dbraw/zinc/39/80/86/314398086.db2.gz GYDURWPDDIUGNQ-UKRRQHHQSA-N 1 0 328.368 3.394 10 5 EGBERO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000551748874 315166467 /nfs/dbraw/zinc/16/64/67/315166467.db2.gz FIFYMAHIGAAFMA-DOMZBBRYSA-N 1 0 348.424 3.166 10 5 EGBERO CCC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000558589524 315581015 /nfs/dbraw/zinc/58/10/15/315581015.db2.gz JSXBMAQJIPFTEY-UHFFFAOYSA-N 1 0 349.431 3.224 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1SC ZINC000569084570 316863108 /nfs/dbraw/zinc/86/31/08/316863108.db2.gz RKGBJLYTKRUJRI-BRWVUGGUSA-N 1 0 349.456 3.117 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1Br ZINC000230315409 456136175 /nfs/dbraw/zinc/13/61/75/456136175.db2.gz CHCRUDBZIAZZNP-JSGCOSHPSA-N 1 0 341.205 3.014 10 5 EGBERO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000233962270 456146468 /nfs/dbraw/zinc/14/64/68/456146468.db2.gz GTPPZMJLZMFQPW-PWSUYJOCSA-N 1 0 342.237 3.229 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000235212079 456150641 /nfs/dbraw/zinc/15/06/41/456150641.db2.gz AGFJDQFFAPFXRI-SNVBAGLBSA-N 1 0 343.221 3.262 10 5 EGBERO CNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183834075 323632892 /nfs/dbraw/zinc/63/28/92/323632892.db2.gz OIJGPCWPJZKTQW-KRWDZBQOSA-N 1 0 341.411 3.046 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000388473673 324275953 /nfs/dbraw/zinc/27/59/53/324275953.db2.gz MPMQXEBIHIHUJH-ZYHUDNBSSA-N 1 0 343.221 3.262 10 5 EGBERO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000425441137 457553585 /nfs/dbraw/zinc/55/35/85/457553585.db2.gz HTTOVMSQHPXASC-JOCQHMNTSA-N 1 0 343.221 3.093 10 5 EGBERO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173340121 455269121 /nfs/dbraw/zinc/26/91/21/455269121.db2.gz UKZGUDBGTHPOKO-CRAIPNDOSA-N 1 0 327.428 3.418 10 5 EGBERO Cc1c(NC(=O)NC2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000158260309 455284655 /nfs/dbraw/zinc/28/46/55/455284655.db2.gz DWJNKQWYIMNPFG-UHFFFAOYSA-N 1 0 334.420 3.145 10 5 EGBERO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000600774324 460598300 /nfs/dbraw/zinc/59/83/00/460598300.db2.gz JNYZBNGWCWEZCJ-JKSUJKDBSA-N 1 0 345.399 3.094 10 5 EGBERO CC[C@@H]1Cc2c(cccc2-c2cc([N+](=O)[O-])ccc2CCO)C[NH2+]1 ZINC000600793430 460607671 /nfs/dbraw/zinc/60/76/71/460607671.db2.gz OOMPUFZQFHGYPR-OAHLLOKOSA-N 1 0 326.396 3.221 10 5 EGBERO Cc1ccc(OCC[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000058563422 454214807 /nfs/dbraw/zinc/21/48/07/454214807.db2.gz RBSPIIFNUUPFBJ-UHFFFAOYSA-N 1 0 330.384 3.293 10 5 EGBERO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000071817008 454223959 /nfs/dbraw/zinc/22/39/59/454223959.db2.gz NICLKWABWSPROR-HNNXBMFYSA-N 1 0 345.424 3.082 10 5 EGBERO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1=O ZINC000119892861 454233708 /nfs/dbraw/zinc/23/37/08/454233708.db2.gz AREKSWGYZNUXJZ-LBPRGKRZSA-N 1 0 345.424 3.034 10 5 EGBERO COc1ccc(OC)c([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000120601837 454324601 /nfs/dbraw/zinc/32/46/01/454324601.db2.gz QQDZCKJYCQLPES-CYBMUJFWSA-N 1 0 346.383 3.342 10 5 EGBERO COc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051500605 454627765 /nfs/dbraw/zinc/62/77/65/454627765.db2.gz SZSAYQLGJRKZBH-UHFFFAOYSA-N 1 0 330.384 3.423 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212465 454686836 /nfs/dbraw/zinc/68/68/36/454686836.db2.gz GKVXOCYQXVNHRQ-INIZCTEOSA-N 1 0 344.415 3.070 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000135832937 454704409 /nfs/dbraw/zinc/70/44/09/454704409.db2.gz OJOBHIBCPPBNAC-LBPRGKRZSA-N 1 0 339.461 3.167 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000127537984 454975320 /nfs/dbraw/zinc/97/53/20/454975320.db2.gz PRLLYDBFNNXZGF-UHFFFAOYSA-N 1 0 346.431 3.304 10 5 EGBERO CC(C)[NH+]1CCC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600964799 460659676 /nfs/dbraw/zinc/65/96/76/460659676.db2.gz RZNGLXQAPDPKBJ-UHFFFAOYSA-N 1 0 345.443 3.006 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172055159 455114164 /nfs/dbraw/zinc/11/41/64/455114164.db2.gz GNHUWKSQDQGBTA-BXUZGUMPSA-N 1 0 345.424 3.118 10 5 EGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122526 455135499 /nfs/dbraw/zinc/13/54/99/455135499.db2.gz AIICQQSRKUISSK-PFWMLDTASA-N 1 0 326.400 3.278 10 5 EGBERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180154647 455140659 /nfs/dbraw/zinc/14/06/59/455140659.db2.gz PJEUIEBXSRCTIV-SJLPKXTDSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180171212 455144289 /nfs/dbraw/zinc/14/42/89/455144289.db2.gz HQLVUCFTARCWEL-ZWKOTPCHSA-N 1 0 339.395 3.078 10 5 EGBERO CCCNC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180187651 455146136 /nfs/dbraw/zinc/14/61/36/455146136.db2.gz KHZHWYSWCCXTEC-IBGZPJMESA-N 1 0 341.411 3.190 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cccc1[N+](=O)[O-] ZINC000180513147 455186760 /nfs/dbraw/zinc/18/67/60/455186760.db2.gz ZODBMVRNBOBTMW-KBPBESRZSA-N 1 0 343.431 3.284 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000181546108 455352879 /nfs/dbraw/zinc/35/28/79/455352879.db2.gz DFRJDMWYSSGAKP-MRXNPFEDSA-N 1 0 331.347 3.413 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247200829 455572521 /nfs/dbraw/zinc/57/25/21/455572521.db2.gz OZMHSMRKUCHEEV-PBHICJAKSA-N 1 0 341.415 3.047 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000182763283 455582593 /nfs/dbraw/zinc/58/25/93/455582593.db2.gz TYKIBAWYZJNVQD-HIFRSBDPSA-N 1 0 334.420 3.097 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277729250 455647664 /nfs/dbraw/zinc/64/76/64/455647664.db2.gz GWHUAEBUJFTIOK-AWEZNQCLSA-N 1 0 349.434 3.308 10 5 EGBERO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@H+](C)C1CC1 ZINC000277794539 455668625 /nfs/dbraw/zinc/66/86/25/455668625.db2.gz VRHMRHYAFBMQNG-ZDUSSCGKSA-N 1 0 349.434 3.306 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(Cn2cccn2)CC1 ZINC000255589592 455870393 /nfs/dbraw/zinc/87/03/93/455870393.db2.gz VGAIORBUXUXWAF-UTCJRWHESA-N 1 0 326.400 3.217 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296396605 455927417 /nfs/dbraw/zinc/92/74/17/455927417.db2.gz KFUZTTGYACHYCX-AWEZNQCLSA-N 1 0 348.447 3.077 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285907946 455940363 /nfs/dbraw/zinc/94/03/63/455940363.db2.gz SFYHNLKTDIITHL-OYEVUCPFSA-N 1 0 343.427 3.083 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000301273408 456078275 /nfs/dbraw/zinc/07/82/75/456078275.db2.gz YCOHJFYKHHHGET-LBPRGKRZSA-N 1 0 329.322 3.288 10 5 EGBERO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000301446670 456117828 /nfs/dbraw/zinc/11/78/28/456117828.db2.gz RIHOCNPLDRXEJR-GDBMZVCRSA-N 1 0 341.415 3.016 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000601112993 460715564 /nfs/dbraw/zinc/71/55/64/460715564.db2.gz AJWXEHZAYOBFMJ-CQSZACIVSA-N 1 0 336.411 3.221 10 5 EGBERO CCOc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000301810337 456220223 /nfs/dbraw/zinc/22/02/23/456220223.db2.gz ZCTNXYHTDXBMQW-AWEZNQCLSA-N 1 0 333.432 3.447 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000301954673 456258256 /nfs/dbraw/zinc/25/82/56/456258256.db2.gz KQBXUVOGXZQECX-AAEUAGOBSA-N 1 0 343.374 3.363 10 5 EGBERO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601132647 460724680 /nfs/dbraw/zinc/72/46/80/460724680.db2.gz LUFRYGQQXOADDM-GFCCVEGCSA-N 1 0 345.378 3.161 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000302123503 456292655 /nfs/dbraw/zinc/29/26/55/456292655.db2.gz YXIKZEPOSZVGEN-UHFFFAOYSA-N 1 0 335.404 3.056 10 5 EGBERO COc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352778450 456297961 /nfs/dbraw/zinc/29/79/61/456297961.db2.gz KYJSAXIEGNWLMK-SFHVURJKSA-N 1 0 341.411 3.092 10 5 EGBERO COc1cc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352778018 456298183 /nfs/dbraw/zinc/29/81/83/456298183.db2.gz IUCUMNVJARTELZ-ACJLOTCBSA-N 1 0 336.432 3.270 10 5 EGBERO C[C@H](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCCCC1 ZINC000601142257 460729196 /nfs/dbraw/zinc/72/91/96/460729196.db2.gz PCCXAJSQAFLDNB-SNVBAGLBSA-N 1 0 349.357 3.024 10 5 EGBERO CC1(C)C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000352843574 456358167 /nfs/dbraw/zinc/35/81/67/456358167.db2.gz ZVZDRERFRPEXGG-LLVKDONJSA-N 1 0 346.168 3.088 10 5 EGBERO CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000601149834 460732117 /nfs/dbraw/zinc/73/21/17/460732117.db2.gz QIBJJNOOCWRMMI-LJQANCHMSA-N 1 0 344.411 3.299 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348181146 456520139 /nfs/dbraw/zinc/52/01/39/456520139.db2.gz OVQXCHJXUHVGSN-KRWDZBQOSA-N 1 0 333.432 3.051 10 5 EGBERO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000311177901 456586905 /nfs/dbraw/zinc/58/69/05/456586905.db2.gz XAYVEGKQISCULM-CYBMUJFWSA-N 1 0 339.399 3.404 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(CC(F)(F)F)c1 ZINC000348666072 456806315 /nfs/dbraw/zinc/80/63/15/456806315.db2.gz BECDABBXBYJKSB-UHFFFAOYSA-N 1 0 342.321 3.028 10 5 EGBERO COC[C@H]1CC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000354057533 457035775 /nfs/dbraw/zinc/03/57/75/457035775.db2.gz WHBNVUZIEKBTKJ-GFCCVEGCSA-N 1 0 332.356 3.084 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186433 457143792 /nfs/dbraw/zinc/14/37/92/457143792.db2.gz TWTLOKDBJWBCJY-HOCLYGCPSA-N 1 0 336.432 3.222 10 5 EGBERO Cn1cc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C)cn1 ZINC000342339315 457244605 /nfs/dbraw/zinc/24/46/05/457244605.db2.gz OKRYRQXFAJWPBY-MRXNPFEDSA-N 1 0 332.404 3.084 10 5 EGBERO O=[N+]([O-])c1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cs1 ZINC000425353735 457513946 /nfs/dbraw/zinc/51/39/46/457513946.db2.gz QKIMXTMRAJOZGX-DLBZAZTESA-N 1 0 343.452 3.363 10 5 EGBERO CC[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358169203 457831047 /nfs/dbraw/zinc/83/10/47/457831047.db2.gz CUMTZVFYWRAOBF-HXOBKFHXSA-N 1 0 332.425 3.443 10 5 EGBERO COc1cc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000366828455 457902989 /nfs/dbraw/zinc/90/29/89/457902989.db2.gz CTGLAYSXZPMBSV-UHFFFAOYSA-N 1 0 337.395 3.055 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361894371 457938742 /nfs/dbraw/zinc/93/87/42/457938742.db2.gz OOJJAFGROJVZMA-IJEWVQPXSA-N 1 0 334.416 3.288 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368201412 458018098 /nfs/dbraw/zinc/01/80/98/458018098.db2.gz NIBWRLWSHAKHRF-PFONDFGASA-N 1 0 343.427 3.085 10 5 EGBERO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412032652 458054557 /nfs/dbraw/zinc/05/45/57/458054557.db2.gz HHJBHJPOZASWJA-UHFFFAOYSA-N 1 0 349.431 3.443 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412043427 458061542 /nfs/dbraw/zinc/06/15/42/458061542.db2.gz NUVFKRQDNLFODS-NWDGAFQWSA-N 1 0 335.404 3.051 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412045184 458064657 /nfs/dbraw/zinc/06/46/57/458064657.db2.gz PKPBTGJWYKCESG-LBPRGKRZSA-N 1 0 335.404 3.052 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000446486533 458191564 /nfs/dbraw/zinc/19/15/64/458191564.db2.gz VQXYPFWAXGXPBF-OKILXGFUSA-N 1 0 334.420 3.288 10 5 EGBERO C[C@H](CSc1nc2cc3ccccc3cc2c(=O)n1C)[NH+](C)C ZINC000412989284 458289372 /nfs/dbraw/zinc/28/93/72/458289372.db2.gz MZHJAPZYAUAPLS-GFCCVEGCSA-N 1 0 327.453 3.129 10 5 EGBERO CCc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447529212 458305861 /nfs/dbraw/zinc/30/58/61/458305861.db2.gz KWCRQNUHYHMNIQ-ZIAGYGMSSA-N 1 0 349.460 3.126 10 5 EGBERO CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535657 458307131 /nfs/dbraw/zinc/30/71/31/458307131.db2.gz HOZWBVJZBAZDCD-IRXDYDNUSA-N 1 0 349.479 3.129 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000373203420 458428769 /nfs/dbraw/zinc/42/87/69/458428769.db2.gz ONAPBQAQYMZBLH-VQIMIIECSA-N 1 0 342.395 3.341 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000468634551 458529894 /nfs/dbraw/zinc/52/98/94/458529894.db2.gz FUITWEWLNOHFQT-DZXKJOIRSA-N 1 0 340.379 3.428 10 5 EGBERO CC[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000431863072 458636296 /nfs/dbraw/zinc/63/62/96/458636296.db2.gz CLXSBLRKWYUMMS-DOTOQJQBSA-N 1 0 333.432 3.427 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470959456 458670651 /nfs/dbraw/zinc/67/06/51/458670651.db2.gz NUZBYDAOMXGZAG-JQWIXIFHSA-N 1 0 348.321 3.255 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)nc2c1 ZINC000548180478 458851717 /nfs/dbraw/zinc/85/17/17/458851717.db2.gz SJKYQLWHEQYJCM-HNNXBMFYSA-N 1 0 344.415 3.395 10 5 EGBERO CC(C)C[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000518800501 458894386 /nfs/dbraw/zinc/89/43/86/458894386.db2.gz ZUWJPZGETQXPAT-CYBMUJFWSA-N 1 0 334.338 3.452 10 5 EGBERO COC(=O)c1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000474785936 458901406 /nfs/dbraw/zinc/90/14/06/458901406.db2.gz WOAKNRICLCNVHX-LBPRGKRZSA-N 1 0 337.420 3.078 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512054 459071027 /nfs/dbraw/zinc/07/10/27/459071027.db2.gz SUMNBZVNHILRKT-WCVJEAGWSA-N 1 0 335.448 3.052 10 5 EGBERO CC(C)n1ccnc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594952927 459190435 /nfs/dbraw/zinc/19/04/35/459190435.db2.gz FHZHDDNKJOUZIA-UHFFFAOYSA-N 1 0 327.388 3.186 10 5 EGBERO COC[C@H](CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000595061115 459232324 /nfs/dbraw/zinc/23/23/24/459232324.db2.gz PEEDLNINADMXNG-OALUTQOASA-N 1 0 344.411 3.325 10 5 EGBERO CC1(C)C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000595070819 459236028 /nfs/dbraw/zinc/23/60/28/459236028.db2.gz YXZYRLXWNPUQKH-ZIAGYGMSSA-N 1 0 326.343 3.331 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCO[C@H]1CC1(F)F)CCCC2 ZINC000595069048 459236418 /nfs/dbraw/zinc/23/64/18/459236418.db2.gz NISKLEUCNBUZDF-GJZGRUSLSA-N 1 0 326.343 3.376 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595095407 459243232 /nfs/dbraw/zinc/24/32/32/459243232.db2.gz MOWZKLGKKYUJPJ-NSHDSACASA-N 1 0 344.358 3.194 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595233841 459260132 /nfs/dbraw/zinc/26/01/32/459260132.db2.gz VROVTJMWOLYSAC-HNNXBMFYSA-N 1 0 346.431 3.147 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549596 459343260 /nfs/dbraw/zinc/34/32/60/459343260.db2.gz UHSUIMXKXRVECR-UKRRQHHQSA-N 1 0 348.447 3.136 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000595606936 459364288 /nfs/dbraw/zinc/36/42/88/459364288.db2.gz XYXQWNSBINLMDA-QAPCUYQASA-N 1 0 348.443 3.427 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000540870382 459394606 /nfs/dbraw/zinc/39/46/06/459394606.db2.gz BXZBAUITRWCORE-UHFFFAOYSA-N 1 0 330.775 3.457 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595732788 459418151 /nfs/dbraw/zinc/41/81/51/459418151.db2.gz KFIXVEANDRDNOY-ZMSDIMECSA-N 1 0 332.400 3.149 10 5 EGBERO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595817631 459451576 /nfs/dbraw/zinc/45/15/76/459451576.db2.gz AENIEMGXDWFSMA-FEPKRQSRSA-N 1 0 337.395 3.428 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccccc1 ZINC000485987754 459483262 /nfs/dbraw/zinc/48/32/62/459483262.db2.gz GRJAPWTVQNRJIP-SUMWQHHRSA-N 1 0 330.363 3.173 10 5 EGBERO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596082915 459513665 /nfs/dbraw/zinc/51/36/65/459513665.db2.gz PXHYGGVBMUMEFW-WDEREUQCSA-N 1 0 325.796 3.296 10 5 EGBERO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210135 459535041 /nfs/dbraw/zinc/53/50/41/459535041.db2.gz NWZJQQJOJDAGED-JKSUJKDBSA-N 1 0 344.411 3.336 10 5 EGBERO COc1ccccc1C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000592142839 459536453 /nfs/dbraw/zinc/53/64/53/459536453.db2.gz IBHCTYFYTMBPAK-UHFFFAOYSA-N 1 0 328.368 3.261 10 5 EGBERO CCC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397541 459592618 /nfs/dbraw/zinc/59/26/18/459592618.db2.gz NIJCNKNIVNDHPQ-WMZOPIPTSA-N 1 0 336.432 3.203 10 5 EGBERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592569959 459632121 /nfs/dbraw/zinc/63/21/21/459632121.db2.gz IHWVJSGWHODTNW-OAHLLOKOSA-N 1 0 345.424 3.214 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1C[NH2+]C ZINC000593317458 459839803 /nfs/dbraw/zinc/83/98/03/459839803.db2.gz KPRXNFKLCZCLGM-UHFFFAOYSA-N 1 0 329.400 3.003 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)o2)cc1 ZINC000597232784 459886208 /nfs/dbraw/zinc/88/62/08/459886208.db2.gz WKTCYQJTAZLFJT-CABCVRRESA-N 1 0 328.368 3.323 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598466181 459904603 /nfs/dbraw/zinc/90/46/03/459904603.db2.gz NDKJPMYTBNKNHL-UHFFFAOYSA-N 1 0 348.447 3.019 10 5 EGBERO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000598915419 460091698 /nfs/dbraw/zinc/09/16/98/460091698.db2.gz LSDVMBSCLXVYPL-UHFFFAOYSA-N 1 0 340.811 3.421 10 5 EGBERO COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598993633 460120219 /nfs/dbraw/zinc/12/02/19/460120219.db2.gz YYUAOBFQDNLKGM-INIZCTEOSA-N 1 0 333.432 3.100 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000599025188 460130997 /nfs/dbraw/zinc/13/09/97/460130997.db2.gz LUOIJVCJTWWRDJ-OAHLLOKOSA-N 1 0 326.400 3.208 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073593 460152753 /nfs/dbraw/zinc/15/27/53/460152753.db2.gz DVSKSTALKDYUNR-PXAZEXFGSA-N 1 0 325.368 3.072 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599085465 460156706 /nfs/dbraw/zinc/15/67/06/460156706.db2.gz ROFKWNPAAGPAOM-PCODUJHASA-N 1 0 330.428 3.463 10 5 EGBERO CC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156400 460181075 /nfs/dbraw/zinc/18/10/75/460181075.db2.gz BNZCBJXRAGQLCD-RHSMWYFYSA-N 1 0 348.447 3.077 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCCC(F)(F)C1)OCCO2 ZINC000610860119 460250069 /nfs/dbraw/zinc/25/00/69/460250069.db2.gz VIOCMLBUPWCAMC-LLVKDONJSA-N 1 0 328.315 3.034 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553667 460273884 /nfs/dbraw/zinc/27/38/84/460273884.db2.gz YHWQFDUMLXNEKH-KGLIPLIRSA-N 1 0 349.456 3.202 10 5 EGBERO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599621368 460289211 /nfs/dbraw/zinc/28/92/11/460289211.db2.gz KRLMSQMKHKJXDZ-HNNXBMFYSA-N 1 0 332.379 3.199 10 5 EGBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599625836 460291668 /nfs/dbraw/zinc/29/16/68/460291668.db2.gz PVIFIQFESCIOEH-JBBSTSQOSA-N 1 0 331.372 3.151 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(CC2)CC1 ZINC000599672437 460304849 /nfs/dbraw/zinc/30/48/49/460304849.db2.gz DTXKHWWWFXEEHJ-UHFFFAOYSA-N 1 0 347.415 3.198 10 5 EGBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601215797 460754019 /nfs/dbraw/zinc/75/40/19/460754019.db2.gz BIANGOPAPPAEMW-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601559586 460832564 /nfs/dbraw/zinc/83/25/64/460832564.db2.gz UYCJUCJNKQPPQA-GOEBONIOSA-N 1 0 345.443 3.106 10 5 EGBERO Cc1sc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000601737088 460886111 /nfs/dbraw/zinc/88/61/11/460886111.db2.gz CRDKKDPAOLKICF-UHFFFAOYSA-N 1 0 337.445 3.055 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601739884 460886190 /nfs/dbraw/zinc/88/61/90/460886190.db2.gz RNOVTEBNQCZIBO-UHFFFAOYSA-N 1 0 345.443 3.302 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000154143998 528594185 /nfs/dbraw/zinc/59/41/85/528594185.db2.gz HUOJWFGWKMGFHU-PBHICJAKSA-N 1 0 344.411 3.420 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000185432986 535771993 /nfs/dbraw/zinc/77/19/93/535771993.db2.gz HTXDODCGKRNIFU-WMZOPIPTSA-N 1 0 347.459 3.106 10 5 EGBERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000221046217 547243536 /nfs/dbraw/zinc/24/35/36/547243536.db2.gz VQQKOYROYDCCOZ-UHFFFAOYSA-N 1 0 329.422 3.049 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000741747694 576716475 /nfs/dbraw/zinc/71/64/75/576716475.db2.gz YKPYZZBLYDNFCB-AWEZNQCLSA-N 1 0 347.390 3.327 10 5 EGBERO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000744450047 576828800 /nfs/dbraw/zinc/82/88/00/576828800.db2.gz JQYDCKDMOIUEBK-UHFFFAOYSA-N 1 0 328.796 3.460 10 5 EGBERO CC[C@@H](C[NH+](C)C)OC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000870552347 1295936585 /nfs/dbraw/zinc/93/65/85/1295936585.db2.gz UVQZRKGJJUYHDR-ZDUSSCGKSA-N 1 0 349.412 3.215 10 5 EGBERO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872064282 1296710644 /nfs/dbraw/zinc/71/06/44/1296710644.db2.gz FETCTODEDUTKOW-UKRRQHHQSA-N 1 0 332.375 3.297 10 5 EGBERO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068760 1296715029 /nfs/dbraw/zinc/71/50/29/1296715029.db2.gz IGLXGSSXTKEZOY-DZGCQCFKSA-N 1 0 332.375 3.378 10 5 EGBERO CC(C)OC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000872116567 1296742332 /nfs/dbraw/zinc/74/23/32/1296742332.db2.gz SLUVEVGZWQOTGR-GJZGRUSLSA-N 1 0 336.436 3.212 10 5 EGBERO CC1(C)CC[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000872293161 1296901397 /nfs/dbraw/zinc/90/13/97/1296901397.db2.gz IXDUAIUZSXEIDD-UHFFFAOYSA-N 1 0 333.413 3.024 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1 ZINC000886764226 1303588930 /nfs/dbraw/zinc/58/89/30/1303588930.db2.gz NVJSVEVQISHMKM-YEWFCNIMSA-N 1 0 348.443 3.232 10 5 EGBERO C[C@H](C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000893015808 1305659104 /nfs/dbraw/zinc/65/91/04/1305659104.db2.gz UCRHBYBMFLWQBC-YQQAZPJKSA-N 1 0 347.459 3.420 10 5 EGBERO Cc1noc2ncc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc12 ZINC000894851267 1309100200 /nfs/dbraw/zinc/10/02/00/1309100200.db2.gz OPYHQPXAGBLXOQ-UHFFFAOYSA-N 1 0 326.356 3.464 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000857677716 1328582289 /nfs/dbraw/zinc/58/22/89/1328582289.db2.gz TVYLJJPQLKCWFX-UHFFFAOYSA-N 1 0 327.812 3.098 10 5 EGBERO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858173781 1328703841 /nfs/dbraw/zinc/70/38/41/1328703841.db2.gz JATBYZSNBCTQDW-UHFFFAOYSA-N 1 0 329.400 3.066 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000913393143 1319025112 /nfs/dbraw/zinc/02/51/12/1319025112.db2.gz KAGCRZQAAAREHM-UHFFFAOYSA-N 1 0 333.432 3.275 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000931618398 1329154599 /nfs/dbraw/zinc/15/45/99/1329154599.db2.gz XIFJZKORMUPXDC-SIXWZSSISA-N 1 0 344.411 3.120 10 5 EGBERO Cc1cc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1C ZINC000926912536 1327773036 /nfs/dbraw/zinc/77/30/36/1327773036.db2.gz ZMKQLZWLYVUWIF-GOSISDBHSA-N 1 0 328.416 3.237 10 5 EGBERO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)n1 ZINC000927057678 1327834150 /nfs/dbraw/zinc/83/41/50/1327834150.db2.gz ONEQYHILDJSAKH-LALPHHSUSA-N 1 0 342.399 3.453 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC000863586434 1329564852 /nfs/dbraw/zinc/56/48/52/1329564852.db2.gz ZWPDEJMNWCKIOZ-ZDUSSCGKSA-N 1 0 332.322 3.341 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nn(C)cc1C(F)F ZINC000865809233 1329740955 /nfs/dbraw/zinc/74/09/55/1329740955.db2.gz ZMZBCUMFOKGNHW-IZZDOVSWSA-N 1 0 336.342 3.459 10 5 EGBERO CC(=O)c1ccc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000866021862 1329759724 /nfs/dbraw/zinc/75/97/24/1329759724.db2.gz HSXWUCCJPCXYSX-UHFFFAOYSA-N 1 0 331.416 3.252 10 5 EGBERO Cc1noc(C)c1CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866279648 1330089878 /nfs/dbraw/zinc/08/98/78/1330089878.db2.gz ATGOEDUTVXMIEV-LLVKDONJSA-N 1 0 335.379 3.492 10 5 EGBERO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001185694007 1387780865 /nfs/dbraw/zinc/78/08/65/1387780865.db2.gz VLZSEZWWLDRCAK-UHFFFAOYSA-N 1 0 335.354 3.441 10 5 EGBERO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001196595741 1368645810 /nfs/dbraw/zinc/64/58/10/1368645810.db2.gz WLEHDHVOTWBTLQ-GOSISDBHSA-N 1 0 328.416 3.197 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001197203819 1368764069 /nfs/dbraw/zinc/76/40/69/1368764069.db2.gz UTTWROXBCXXUIZ-CQSZACIVSA-N 1 0 331.416 3.096 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001117627049 1371056796 /nfs/dbraw/zinc/05/67/96/1371056796.db2.gz WJZFMVRHQAJZLK-AEFFLSMTSA-N 1 0 347.365 3.408 10 5 EGBERO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001127549265 1373138166 /nfs/dbraw/zinc/13/81/66/1373138166.db2.gz OCQGYNYWQOSOLS-ZDUSSCGKSA-N 1 0 345.321 3.425 10 5 EGBERO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001127842405 1373189367 /nfs/dbraw/zinc/18/93/67/1373189367.db2.gz FEONRCMZFRAOHU-QZTJIDSGSA-N 1 0 347.459 3.279 10 5 EGBERO Cc1c(CC(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001131232493 1373666181 /nfs/dbraw/zinc/66/61/81/1373666181.db2.gz OGTSQMIQKHEWPA-WMLDXEAASA-N 1 0 347.459 3.167 10 5 EGBERO Cc1c(CC(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC001131232491 1373666184 /nfs/dbraw/zinc/66/61/84/1373666184.db2.gz OGTSQMIQKHEWPA-PBHICJAKSA-N 1 0 347.459 3.167 10 5 EGBERO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001132619078 1375486980 /nfs/dbraw/zinc/48/69/80/1375486980.db2.gz LOHIGLCKNFZAHF-KRWDZBQOSA-N 1 0 345.443 3.430 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001134763804 1376707555 /nfs/dbraw/zinc/70/75/55/1376707555.db2.gz AMLQWERLDNADBA-CQSZACIVSA-N 1 0 333.432 3.106 10 5 EGBERO CCC(C)(C)C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001327252811 1388466012 /nfs/dbraw/zinc/46/60/12/1388466012.db2.gz VQGTWGMKSPBOIA-UHFFFAOYSA-N 1 0 335.448 3.311 10 5 EGBERO C[NH+](C)CCCC(C)(C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001141196832 1378265833 /nfs/dbraw/zinc/26/58/33/1378265833.db2.gz NKHSMWWOHZKJKR-UHFFFAOYSA-N 1 0 341.839 3.027 10 5 EGBERO CCC(CC)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280468752 1378349182 /nfs/dbraw/zinc/34/91/82/1378349182.db2.gz CWWQSDAYLLYKQH-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CC[C@@H](NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001151125365 1379663821 /nfs/dbraw/zinc/66/38/21/1379663821.db2.gz NQKXSWDTKFPOFQ-ZMSDIMECSA-N 1 0 333.432 3.283 10 5 EGBERO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC001161694465 1382482578 /nfs/dbraw/zinc/48/25/78/1382482578.db2.gz PUXHMTPXZLRHNZ-UHFFFAOYSA-N 1 0 347.346 3.056 10 5 EGBERO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@]2(C)C1 ZINC001164261471 1383172462 /nfs/dbraw/zinc/17/24/62/1383172462.db2.gz SDWQABOGGOGLJO-YGRLFVJLSA-N 1 0 329.322 3.002 10 5 EGBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001306932874 1383922500 /nfs/dbraw/zinc/92/25/00/1383922500.db2.gz PSGNFOMWHUJUPS-KGLIPLIRSA-N 1 0 346.818 3.257 10 5 EGBERO CC[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC001168741047 1383987017 /nfs/dbraw/zinc/98/70/17/1383987017.db2.gz FNTWBYWFSWEWTL-MRXNPFEDSA-N 1 0 344.367 3.443 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H]1CCC[C@@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634009 1384005636 /nfs/dbraw/zinc/00/56/36/1384005636.db2.gz UHXLLLTUWAJMTE-KSZLIROESA-N 1 0 334.416 3.364 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC001168838707 1384027770 /nfs/dbraw/zinc/02/77/70/1384027770.db2.gz QCAVBRFWQZVZRX-HUUCEWRRSA-N 1 0 335.448 3.297 10 5 EGBERO C[C@@](CO)([NH2+]Cc1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 ZINC001307999933 1384071152 /nfs/dbraw/zinc/07/11/52/1384071152.db2.gz PECYQFDNPWJIJS-IBGZPJMESA-N 1 0 337.379 3.140 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC001308010351 1384074011 /nfs/dbraw/zinc/07/40/11/1384074011.db2.gz MCMHFWPVTVZQPV-GOSISDBHSA-N 1 0 346.358 3.266 10 5 EGBERO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308148243 1384101130 /nfs/dbraw/zinc/10/11/30/1384101130.db2.gz ABPRKEPXKNGNRM-INIZCTEOSA-N 1 0 327.384 3.293 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171017540 1384430711 /nfs/dbraw/zinc/43/07/11/1384430711.db2.gz FEXOQJAZYSWKKM-DLBZAZTESA-N 1 0 328.416 3.368 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317125698 1384883539 /nfs/dbraw/zinc/88/35/39/1384883539.db2.gz ALWSBLWWYLJIGJ-GASCZTMLSA-N 1 0 333.432 3.158 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001175668947 1385368705 /nfs/dbraw/zinc/36/87/05/1385368705.db2.gz IZAGILJDPWLRSK-LJQANCHMSA-N 1 0 336.395 3.365 10 5 EGBERO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001176995892 1385767991 /nfs/dbraw/zinc/76/79/91/1385767991.db2.gz OZGMAKOSCMVKSJ-MRXNPFEDSA-N 1 0 349.431 3.060 10 5 EGBERO CC/C=C(\C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001318943832 1385891085 /nfs/dbraw/zinc/89/10/85/1385891085.db2.gz UCLSGJFRBKIQRV-QRJGQYNBSA-N 1 0 345.443 3.468 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001349880855 1391380594 /nfs/dbraw/zinc/38/05/94/1391380594.db2.gz XJPZOSGZAUVOAF-AWEZNQCLSA-N 1 0 335.448 3.370 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(OC)nc2)cc1[N+](=O)[O-] ZINC001351354746 1391630662 /nfs/dbraw/zinc/63/06/62/1391630662.db2.gz ZOUSTDZHOLTSRY-CYBMUJFWSA-N 1 0 345.399 3.290 10 5 EGBERO CCC(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001488811684 1391727634 /nfs/dbraw/zinc/72/76/34/1391727634.db2.gz HMGNWXFIOGOSKQ-KOMQPUFPSA-N 1 0 333.432 3.015 10 5 EGBERO C[C@H](C(=O)N1CCC2(CC1)CC[NH+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC001352034597 1391748693 /nfs/dbraw/zinc/74/86/93/1391748693.db2.gz HQFYLHFFNRXGKV-HNNXBMFYSA-N 1 0 345.443 3.033 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC001490311489 1393174154 /nfs/dbraw/zinc/17/41/54/1393174154.db2.gz CLBFAYQUJZGSRD-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CC1(CC(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC001482225670 1394819719 /nfs/dbraw/zinc/81/97/19/1394819719.db2.gz ZPCMGALFSKJJPE-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO C[N@H+](CCNC(=O)CC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690922646 1404834029 /nfs/dbraw/zinc/83/40/29/1404834029.db2.gz UBQWRHWKZBYTOQ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO C/C=C(\C)C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001700510387 1414159040 /nfs/dbraw/zinc/15/90/40/1414159040.db2.gz CLUSVGVKUQTKIF-CRKCGEKBSA-N 1 0 345.443 3.470 10 5 EGBERO Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001733094559 1429240557 /nfs/dbraw/zinc/24/05/57/1429240557.db2.gz SSZVZYNIIQVZSE-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001714001731 1418781835 /nfs/dbraw/zinc/78/18/35/1418781835.db2.gz CGVKMQNTRKWCCJ-IYBDPMFKSA-N 1 0 331.416 3.078 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCCC1 ZINC001715770899 1420336425 /nfs/dbraw/zinc/33/64/25/1420336425.db2.gz TUGNSOOJDOPWGN-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001717147911 1421139963 /nfs/dbraw/zinc/13/99/63/1421139963.db2.gz KGOJUBILEUFQLK-LFYBBSHMSA-N 1 0 337.445 3.141 10 5 EGBERO CC/C=C(/C)C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001717204913 1421175546 /nfs/dbraw/zinc/17/55/46/1421175546.db2.gz REZCOXUZEBCKTJ-NVNXTCNLSA-N 1 0 333.432 3.231 10 5 EGBERO C[N@H+](CCc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000055022516 214265379 /nfs/dbraw/zinc/26/53/79/214265379.db2.gz YZCDHJFFNYVNAG-UHFFFAOYSA-N 1 0 346.358 3.275 10 5 EGBERO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103095649 219255445 /nfs/dbraw/zinc/25/54/45/219255445.db2.gz SGRVHKOPODFJTL-INIZCTEOSA-N 1 0 345.443 3.323 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000035273821 213017416 /nfs/dbraw/zinc/01/74/16/213017416.db2.gz YOHSJGJURKNXTF-RNCFNFMXSA-N 1 0 329.194 3.014 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000265996434 248009532 /nfs/dbraw/zinc/00/95/32/248009532.db2.gz NXBULZJRJZEWCL-SWLSCSKDSA-N 1 0 345.399 3.143 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1[N+](=O)[O-] ZINC000377246728 169001868 /nfs/dbraw/zinc/00/18/68/169001868.db2.gz WDIZLAOITYVZCA-HNNXBMFYSA-N 1 0 344.415 3.028 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)n1 ZINC000408457054 169178204 /nfs/dbraw/zinc/17/82/04/169178204.db2.gz NGOBZTKGBHGCNX-LBPRGKRZSA-N 1 0 328.363 3.254 10 5 EGBERO Cc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000092812572 218170956 /nfs/dbraw/zinc/17/09/56/218170956.db2.gz AVQHJAXVDVBLRY-MRXNPFEDSA-N 1 0 326.400 3.232 10 5 EGBERO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645065 218239181 /nfs/dbraw/zinc/23/91/81/218239181.db2.gz KIJXKTNRIOVRMC-YPMHNXCESA-N 1 0 343.374 3.111 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000194507634 285115021 /nfs/dbraw/zinc/11/50/21/285115021.db2.gz ARUGROYUZHQIHV-CYBMUJFWSA-N 1 0 335.360 3.084 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000344875809 533408672 /nfs/dbraw/zinc/40/86/72/533408672.db2.gz XDCYOTVTMHQGHZ-NTEUORMPSA-N 1 0 338.411 3.498 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000338046042 141080510 /nfs/dbraw/zinc/08/05/10/141080510.db2.gz JGBBYAMZYMCDFH-SCLBCKFNSA-N 1 0 333.432 3.144 10 5 EGBERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185440004 144112337 /nfs/dbraw/zinc/11/23/37/144112337.db2.gz CFEZFCPIHYNFAS-LBPRGKRZSA-N 1 0 339.823 3.243 10 5 EGBERO Cn1ccnc1CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121762466 152369965 /nfs/dbraw/zinc/36/99/65/152369965.db2.gz GJANTIXQCJAUMZ-GQCTYLIASA-N 1 0 340.427 3.296 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309368 154276575 /nfs/dbraw/zinc/27/65/75/154276575.db2.gz ZELMMOOYQIXXDR-GQGSAGHOSA-N 1 0 336.407 3.495 10 5 EGBERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455401 154361633 /nfs/dbraw/zinc/36/16/33/154361633.db2.gz HKJGKQAZEDLUCO-MNOVXSKESA-N 1 0 345.321 3.196 10 5 EGBERO CO[C@@H](CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000345484752 156126237 /nfs/dbraw/zinc/12/62/37/156126237.db2.gz MRENQXCANACPGS-RISCZKNCSA-N 1 0 334.338 3.473 10 5 EGBERO CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053709 162388347 /nfs/dbraw/zinc/38/83/47/162388347.db2.gz MIYCCGMQXDCBOV-IUODEOHRSA-N 1 0 329.404 3.325 10 5 EGBERO C[C@H](CCC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342574609 163913950 /nfs/dbraw/zinc/91/39/50/163913950.db2.gz IWBGUHCHCPUKQM-CYBMUJFWSA-N 1 0 342.461 3.173 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccn2Cc2ccccc2)cc1 ZINC000344221986 164130245 /nfs/dbraw/zinc/13/02/45/164130245.db2.gz ODPPSCBUMYFTMW-UHFFFAOYSA-N 1 0 336.395 3.172 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCSC[C@H]3CCO)o2)c1 ZINC000355085740 166102181 /nfs/dbraw/zinc/10/21/81/166102181.db2.gz YKFLDFSKVOKZBH-OAHLLOKOSA-N 1 0 348.424 3.155 10 5 EGBERO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355784955 166309017 /nfs/dbraw/zinc/30/90/17/166309017.db2.gz KCJRPGROGVUOFP-KRWDZBQOSA-N 1 0 344.411 3.293 10 5 EGBERO C[C@H]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359559853 167193299 /nfs/dbraw/zinc/19/32/99/167193299.db2.gz POVVJDMFVOOMNG-KBXCAEBGSA-N 1 0 331.416 3.436 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000360222685 167275433 /nfs/dbraw/zinc/27/54/33/167275433.db2.gz UYDHEJINEDKKPE-FNODVLLQSA-N 1 0 348.424 3.192 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366812324 168143784 /nfs/dbraw/zinc/14/37/84/168143784.db2.gz UGGJYOJOEXLADJ-RVKKMQEKSA-N 1 0 334.416 3.062 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000273373928 267029233 /nfs/dbraw/zinc/02/92/33/267029233.db2.gz GGMJQIPHRNFZTF-ZLOXQWCVSA-N 1 0 332.425 3.491 10 5 EGBERO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555309 274313701 /nfs/dbraw/zinc/31/37/01/274313701.db2.gz KENKIBNXMYOIQT-DKSSEZFCSA-N 1 0 343.427 3.212 10 5 EGBERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092588640 275154791 /nfs/dbraw/zinc/15/47/91/275154791.db2.gz SXIJCULYYVOJFX-CYBMUJFWSA-N 1 0 343.383 3.085 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000278616644 275259373 /nfs/dbraw/zinc/25/93/73/275259373.db2.gz FSRBCCDWXIIHMJ-GHMZBOCLSA-N 1 0 345.321 3.196 10 5 EGBERO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279705752 275351564 /nfs/dbraw/zinc/35/15/64/275351564.db2.gz JZABWVVSQBTTQM-DZGCQCFKSA-N 1 0 349.431 3.330 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC4)C3)n2)c1 ZINC000288563788 276228431 /nfs/dbraw/zinc/22/84/31/276228431.db2.gz AGXFBPRSDITLQT-CQSZACIVSA-N 1 0 328.372 3.267 10 5 EGBERO CC(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261751120 278036107 /nfs/dbraw/zinc/03/61/07/278036107.db2.gz QCHXWIWRCBISBY-LJQANCHMSA-N 1 0 340.427 3.260 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000163172010 280662768 /nfs/dbraw/zinc/66/27/68/280662768.db2.gz HGAIMMHWBCBBNE-KRWDZBQOSA-N 1 0 342.399 3.328 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000302084874 308728636 /nfs/dbraw/zinc/72/86/36/308728636.db2.gz KIKHIOZHBIVGAK-UHFFFAOYSA-N 1 0 335.404 3.103 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000449614127 310075447 /nfs/dbraw/zinc/07/54/47/310075447.db2.gz FPOXHLGPVNDZFB-RDTXWAMCSA-N 1 0 343.383 3.008 10 5 EGBERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415689088 309141186 /nfs/dbraw/zinc/14/11/86/309141186.db2.gz CMDODCKXVQXGHU-STQMWFEESA-N 1 0 348.447 3.483 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415700993 309141368 /nfs/dbraw/zinc/14/13/68/309141368.db2.gz NRLZTQDODPBCPJ-RYUDHWBXSA-N 1 0 334.420 3.141 10 5 EGBERO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415699463 309141404 /nfs/dbraw/zinc/14/14/04/309141404.db2.gz IVXKXHAZYJEBPL-ZDUSSCGKSA-N 1 0 334.420 3.108 10 5 EGBERO COc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+]2)cc1 ZINC000422948234 309377624 /nfs/dbraw/zinc/37/76/24/309377624.db2.gz QYDAFIZRTHYFFK-PKOBYXMFSA-N 1 0 341.411 3.186 10 5 EGBERO Cc1cc([N+](=O)[O-])cnc1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000432924626 309673202 /nfs/dbraw/zinc/67/32/02/309673202.db2.gz MXDGQRWKXVKZND-HNNXBMFYSA-N 1 0 328.372 3.427 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3ccccc3C2)n1 ZINC000447510491 309980273 /nfs/dbraw/zinc/98/02/73/309980273.db2.gz PHJJYPMUKZIDKU-OKZBNKHCSA-N 1 0 340.427 3.422 10 5 EGBERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450419156 310121385 /nfs/dbraw/zinc/12/13/85/310121385.db2.gz NLAXKBAJSJZZKZ-HUUCEWRRSA-N 1 0 326.400 3.089 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451883889 310201561 /nfs/dbraw/zinc/20/15/61/310201561.db2.gz FRXXTLSQQFRLQK-WDMOLILDSA-N 1 0 332.322 3.209 10 5 EGBERO CC[C@H](NC(=O)N[C@@H](C)c1nccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476222 310362552 /nfs/dbraw/zinc/36/25/52/310362552.db2.gz SPGHKFVNIMADSZ-WFASDCNBSA-N 1 0 345.403 3.323 10 5 EGBERO CC(C)C[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487921675 311043040 /nfs/dbraw/zinc/04/30/40/311043040.db2.gz SIUHABJGXNJQAI-UHFFFAOYSA-N 1 0 328.416 3.097 10 5 EGBERO Cc1cc(C)n2c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cnc2n1 ZINC000492433782 311250460 /nfs/dbraw/zinc/25/04/60/311250460.db2.gz BPHVINWXTOQHOC-UHFFFAOYSA-N 1 0 339.399 3.279 10 5 EGBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536536927 314120998 /nfs/dbraw/zinc/12/09/98/314120998.db2.gz JAARRBXYQSURKW-KGLIPLIRSA-N 1 0 326.400 3.206 10 5 EGBERO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000554755716 315347210 /nfs/dbraw/zinc/34/72/10/315347210.db2.gz GHTRWIYBZRGTDZ-KRWDZBQOSA-N 1 0 328.416 3.355 10 5 EGBERO COc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000564097988 316113704 /nfs/dbraw/zinc/11/37/04/316113704.db2.gz LPAAGCCOKAFQFJ-IAGOWNOFSA-N 1 0 344.415 3.116 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000570390043 317047794 /nfs/dbraw/zinc/04/77/94/317047794.db2.gz GAGDHEANRLCAPA-HNNXBMFYSA-N 1 0 326.824 3.322 10 5 EGBERO COC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000573284061 317463259 /nfs/dbraw/zinc/46/32/59/317463259.db2.gz KPNGLKXRYJLWGA-SFHVURJKSA-N 1 0 331.416 3.413 10 5 EGBERO Cc1cc(N2CCC(CC[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000235825292 456153670 /nfs/dbraw/zinc/15/36/70/456153670.db2.gz SDFRBHMEZUZPHH-UHFFFAOYSA-N 1 0 342.237 3.231 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185110774 323688908 /nfs/dbraw/zinc/68/89/08/323688908.db2.gz TZBXRJLEHCWNDY-LLVKDONJSA-N 1 0 334.401 3.121 10 5 EGBERO CO[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCC2 ZINC000576438774 324614225 /nfs/dbraw/zinc/61/42/25/324614225.db2.gz UDFLZSFOBKWHNE-IRXDYDNUSA-N 1 0 329.400 3.166 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189598681 455222330 /nfs/dbraw/zinc/22/23/30/455222330.db2.gz GCVCODXIAQBCAU-ZFWWWQNUSA-N 1 0 346.349 3.476 10 5 EGBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264574652 455239821 /nfs/dbraw/zinc/23/98/21/455239821.db2.gz IJGJFPIDCZADJD-MRXNPFEDSA-N 1 0 332.404 3.077 10 5 EGBERO Cc1cnn(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000180801324 455248180 /nfs/dbraw/zinc/24/81/80/455248180.db2.gz BLLCQLFBPGSDMD-LJQANCHMSA-N 1 0 336.395 3.479 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000174012600 455350682 /nfs/dbraw/zinc/35/06/82/455350682.db2.gz HCXMBSIGOJIZAQ-STQMWFEESA-N 1 0 335.404 3.052 10 5 EGBERO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000190599678 455351172 /nfs/dbraw/zinc/35/11/72/455351172.db2.gz HKIQLBZNOSHUJE-UHFFFAOYSA-N 1 0 342.399 3.392 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181550155 455353603 /nfs/dbraw/zinc/35/36/03/455353603.db2.gz JZKDKQDBWBNFDT-QGZVFWFLSA-N 1 0 339.395 3.225 10 5 EGBERO COC(=O)c1ccc(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)c([N+](=O)[O-])c1 ZINC000600783176 460602297 /nfs/dbraw/zinc/60/22/97/460602297.db2.gz DPOZXIUNHNGXJM-AWEZNQCLSA-N 1 0 340.379 3.200 10 5 EGBERO COC(=O)c1ccc(-c2cc(C)c3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000600787355 460604428 /nfs/dbraw/zinc/60/44/28/460604428.db2.gz ZVCOZZAQJAEUAI-UHFFFAOYSA-N 1 0 326.352 3.003 10 5 EGBERO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCCC1 ZINC000029501023 453829208 /nfs/dbraw/zinc/82/92/08/453829208.db2.gz ZPTNBJQHFOJHLZ-UHFFFAOYSA-N 1 0 329.404 3.465 10 5 EGBERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032793594 453891485 /nfs/dbraw/zinc/89/14/85/453891485.db2.gz CRUVNULQEJXSEV-STQMWFEESA-N 1 0 343.383 3.281 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)[NH+]2CCCC2)c(Cl)c1 ZINC000040153822 453948395 /nfs/dbraw/zinc/94/83/95/453948395.db2.gz HSXKUBOXIJTMDV-BLLLJJGKSA-N 1 0 339.823 3.161 10 5 EGBERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184642797 455418929 /nfs/dbraw/zinc/41/89/29/455418929.db2.gz IADWOZXTVVVMIG-LBPRGKRZSA-N 1 0 335.404 3.100 10 5 EGBERO CC(C)COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538621 454318653 /nfs/dbraw/zinc/31/86/53/454318653.db2.gz SIEMYDBSIXREQY-AWEZNQCLSA-N 1 0 332.404 3.177 10 5 EGBERO CC(C)COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538617 454318891 /nfs/dbraw/zinc/31/88/91/454318891.db2.gz SIEMYDBSIXREQY-CQSZACIVSA-N 1 0 332.404 3.177 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000120839506 454354388 /nfs/dbraw/zinc/35/43/88/454354388.db2.gz CRSXDXBOQJHGQA-HUUCEWRRSA-N 1 0 346.431 3.302 10 5 EGBERO Cc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000065201855 454537932 /nfs/dbraw/zinc/53/79/32/454537932.db2.gz PFMOVOIOOSMPDY-INIZCTEOSA-N 1 0 343.431 3.103 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000092656906 454602663 /nfs/dbraw/zinc/60/26/63/454602663.db2.gz KQBXUVOGXZQECX-YPMHNXCESA-N 1 0 343.374 3.363 10 5 EGBERO C[NH+](C)CCOc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000052408003 454671186 /nfs/dbraw/zinc/67/11/86/454671186.db2.gz FBDLSUIEBASQKT-UHFFFAOYSA-N 1 0 333.363 3.286 10 5 EGBERO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137016021 454764964 /nfs/dbraw/zinc/76/49/64/454764964.db2.gz HHDTTZJHYVIXJN-HOCLYGCPSA-N 1 0 347.440 3.273 10 5 EGBERO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000170593937 454936954 /nfs/dbraw/zinc/93/69/54/454936954.db2.gz BVGPOGKYVBGHSS-JTQLQIEISA-N 1 0 341.795 3.130 10 5 EGBERO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000185066464 455494806 /nfs/dbraw/zinc/49/48/06/455494806.db2.gz KBPCRMQJLFXBGW-GFCCVEGCSA-N 1 0 337.401 3.180 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000156020962 455073359 /nfs/dbraw/zinc/07/33/59/455073359.db2.gz PADARYAXXCDVTK-CZUORRHYSA-N 1 0 334.420 3.097 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000172170733 455131527 /nfs/dbraw/zinc/13/15/27/455131527.db2.gz FYUSWXLAFMWYHJ-NWDGAFQWSA-N 1 0 335.404 3.099 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000184786719 455448183 /nfs/dbraw/zinc/44/81/83/455448183.db2.gz WXPWEFXOESAZJU-GOEBONIOSA-N 1 0 335.448 3.010 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@H]2c2nccs2)c1 ZINC000246214944 455450381 /nfs/dbraw/zinc/45/03/81/455450381.db2.gz CQVRWCDABKWRFL-GJZGRUSLSA-N 1 0 333.413 3.312 10 5 EGBERO O=c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000246258045 455459345 /nfs/dbraw/zinc/45/93/45/455459345.db2.gz FYLUBCOSQZMSPF-KRWDZBQOSA-N 1 0 334.419 3.226 10 5 EGBERO COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])cc1F ZINC000268220439 455622038 /nfs/dbraw/zinc/62/20/38/455622038.db2.gz SHOONGPGNUOYTG-OLZOCXBDSA-N 1 0 337.395 3.194 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192675486 455667158 /nfs/dbraw/zinc/66/71/58/455667158.db2.gz UYSPMLYQEBVRCM-GHMZBOCLSA-N 1 0 349.412 3.343 10 5 EGBERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248811041 455732966 /nfs/dbraw/zinc/73/29/66/455732966.db2.gz HSHFGVXPNYYUJP-XEGUGMAKSA-N 1 0 338.791 3.022 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000252452641 455804875 /nfs/dbraw/zinc/80/48/75/455804875.db2.gz SOXGNLHFNDNHTA-WMLDXEAASA-N 1 0 341.415 3.465 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186631588 455808157 /nfs/dbraw/zinc/80/81/57/455808157.db2.gz XRMXZJSJLNVWQN-CHWSQXEVSA-N 1 0 349.456 3.016 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195356163 455949276 /nfs/dbraw/zinc/94/92/76/455949276.db2.gz FJQTUWTYFZCDQX-CYBMUJFWSA-N 1 0 333.413 3.310 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000301451512 456118840 /nfs/dbraw/zinc/11/88/40/456118840.db2.gz XLVNDQNDLGWRHR-XJKSGUPXSA-N 1 0 328.416 3.310 10 5 EGBERO C[C@@H]1C[NH+](CCC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000301532349 456140009 /nfs/dbraw/zinc/14/00/09/456140009.db2.gz HZXPCYRXBYXKIU-HZPDHXFCSA-N 1 0 347.459 3.311 10 5 EGBERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115849 460715456 /nfs/dbraw/zinc/71/54/56/460715456.db2.gz DHSHFLYSOGDFIA-KBPBESRZSA-N 1 0 336.411 3.220 10 5 EGBERO Cn1nc2c(c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CCCC2 ZINC000601114313 460715785 /nfs/dbraw/zinc/71/57/85/460715785.db2.gz XGEPQWQKMIAIKX-UHFFFAOYSA-N 1 0 348.834 3.193 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826131 456225838 /nfs/dbraw/zinc/22/58/38/456225838.db2.gz DZCKQXASVWQSQD-STQMWFEESA-N 1 0 343.412 3.161 10 5 EGBERO Cc1ccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301837299 456229130 /nfs/dbraw/zinc/22/91/30/456229130.db2.gz YAVQAYFADBJDIU-IYBDPMFKSA-N 1 0 347.459 3.229 10 5 EGBERO C[NH+]1CCC(CNc2sccc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000302043212 456274794 /nfs/dbraw/zinc/27/47/94/456274794.db2.gz XAFFWASQGAONOE-UHFFFAOYSA-N 1 0 338.477 3.019 10 5 EGBERO O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000302078467 456282310 /nfs/dbraw/zinc/28/23/10/456282310.db2.gz ZGWYXMCMRQANPT-OAHLLOKOSA-N 1 0 333.432 3.296 10 5 EGBERO COc1cc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000352776271 456296317 /nfs/dbraw/zinc/29/63/17/456296317.db2.gz BFNMQZDONHVMQH-OAHLLOKOSA-N 1 0 344.411 3.377 10 5 EGBERO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000340217426 456320728 /nfs/dbraw/zinc/32/07/28/456320728.db2.gz GGDYYLDRGBJDRM-LBPRGKRZSA-N 1 0 345.365 3.347 10 5 EGBERO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310891799 456585651 /nfs/dbraw/zinc/58/56/51/456585651.db2.gz ZENARDGNMOQOHN-GVDBMIGSSA-N 1 0 338.411 3.312 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000299613787 456744093 /nfs/dbraw/zinc/74/40/93/456744093.db2.gz IYFSEVVADPITON-QGZVFWFLSA-N 1 0 345.374 3.075 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000299641490 456752073 /nfs/dbraw/zinc/75/20/73/456752073.db2.gz NFJNIEBJQPVCAV-CQSZACIVSA-N 1 0 333.432 3.145 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cccc1[N+](=O)[O-] ZINC000283470346 456786714 /nfs/dbraw/zinc/78/67/14/456786714.db2.gz WDSBMDWPHALBRX-RLFYNMQTSA-N 1 0 348.443 3.122 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000359087203 457050793 /nfs/dbraw/zinc/05/07/93/457050793.db2.gz XEVCABLMVZDVKQ-UHFFFAOYSA-N 1 0 341.415 3.078 10 5 EGBERO Cc1nccn1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352568018 457471680 /nfs/dbraw/zinc/47/16/80/457471680.db2.gz SMLRETILNPZWPM-LJQANCHMSA-N 1 0 336.395 3.479 10 5 EGBERO C[N@@H+]1C[C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425284207 457481803 /nfs/dbraw/zinc/48/18/03/457481803.db2.gz MZHPZFWGEIWYNM-IINYFYTJSA-N 1 0 329.322 3.144 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]C(C)(C)[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000342823264 457542953 /nfs/dbraw/zinc/54/29/53/457542953.db2.gz VZDZKUHLAGGMAC-LLVKDONJSA-N 1 0 334.372 3.112 10 5 EGBERO CC(C)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000347603488 457543655 /nfs/dbraw/zinc/54/36/55/457543655.db2.gz CWRPKXMJECFNOW-AWEZNQCLSA-N 1 0 335.429 3.195 10 5 EGBERO Cc1c([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000370619673 457683170 /nfs/dbraw/zinc/68/31/70/457683170.db2.gz DOGMZIBWQMXTQS-AWEZNQCLSA-N 1 0 326.396 3.084 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000361891626 457935570 /nfs/dbraw/zinc/93/55/70/457935570.db2.gz XRXIAEAFSVLUSO-HRCADAONSA-N 1 0 334.416 3.288 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412054849 458071323 /nfs/dbraw/zinc/07/13/23/458071323.db2.gz NBGUDZYSFQUMSI-DFEHZGFQSA-N 1 0 345.443 3.077 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059403 458075077 /nfs/dbraw/zinc/07/50/77/458075077.db2.gz XEKFGQGUWMHNNU-ZBFHGGJFSA-N 1 0 331.416 3.133 10 5 EGBERO Cn1cc(C[NH2+][C@@H]2CC23CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428548831 458168546 /nfs/dbraw/zinc/16/85/46/458168546.db2.gz ONEANMASTLGEFV-MRXNPFEDSA-N 1 0 326.400 3.418 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000430199692 458419258 /nfs/dbraw/zinc/41/92/58/458419258.db2.gz DKDRBACJPDWPJH-UGSOOPFHSA-N 1 0 342.395 3.427 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000430246829 458427880 /nfs/dbraw/zinc/42/78/80/458427880.db2.gz XESLRRGSDQZHPB-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)n1 ZINC000373245288 458441680 /nfs/dbraw/zinc/44/16/80/458441680.db2.gz MNXPFNZGGZILKA-UHFFFAOYSA-N 1 0 337.383 3.177 10 5 EGBERO Cc1c(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000464590076 458762294 /nfs/dbraw/zinc/76/22/94/458762294.db2.gz DTVJTNSXHJSQCR-HNNXBMFYSA-N 1 0 334.416 3.457 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000441432318 458941302 /nfs/dbraw/zinc/94/13/02/458941302.db2.gz DOFQMHOHHURJGD-INIZCTEOSA-N 1 0 334.416 3.397 10 5 EGBERO Cc1c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000476948450 459023416 /nfs/dbraw/zinc/02/34/16/459023416.db2.gz VGGYWGHWOXUGPB-UHFFFAOYSA-N 1 0 345.443 3.311 10 5 EGBERO COC(=O)c1cc(N2CCC[N@@H+](C(C)(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000532137768 459035559 /nfs/dbraw/zinc/03/55/59/459035559.db2.gz LQAOXPDVUOHFLK-UHFFFAOYSA-N 1 0 349.431 3.000 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000442997615 459072577 /nfs/dbraw/zinc/07/25/77/459072577.db2.gz ZHVDXCMWRGBOOI-SFHVURJKSA-N 1 0 345.443 3.317 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000594739242 459147757 /nfs/dbraw/zinc/14/77/57/459147757.db2.gz PYQJXZGOLOZTSG-RTBURBONSA-N 1 0 343.402 3.278 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000590568192 459151777 /nfs/dbraw/zinc/15/17/77/459151777.db2.gz ZKIZCLSTVRTFGW-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)c(Cl)c1 ZINC000595000398 459209632 /nfs/dbraw/zinc/20/96/32/459209632.db2.gz KNCAOSKLOZYRGG-UHFFFAOYSA-N 1 0 334.750 3.278 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595059730 459230229 /nfs/dbraw/zinc/23/02/29/459230229.db2.gz HTSSLEYYFXNMNU-ZDUSSCGKSA-N 1 0 327.384 3.082 10 5 EGBERO CC[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595099519 459244633 /nfs/dbraw/zinc/24/46/33/459244633.db2.gz NFPHCPLPZYRWIZ-MRXNPFEDSA-N 1 0 333.432 3.461 10 5 EGBERO CC(C)(NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000595253078 459262945 /nfs/dbraw/zinc/26/29/45/459262945.db2.gz LZHGQMUGQNYRKX-KRWDZBQOSA-N 1 0 339.395 3.181 10 5 EGBERO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595643244 459381059 /nfs/dbraw/zinc/38/10/59/459381059.db2.gz WHQRDPVYUYVJBX-LBPRGKRZSA-N 1 0 337.420 3.346 10 5 EGBERO CC[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595661921 459387996 /nfs/dbraw/zinc/38/79/96/459387996.db2.gz CVWGJKXMSZTNGE-CVEARBPZSA-N 1 0 348.447 3.218 10 5 EGBERO COc1cc(CN2CCO[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000540908249 459401519 /nfs/dbraw/zinc/40/15/19/459401519.db2.gz UMOOIVMCAZSNDI-LJQANCHMSA-N 1 0 342.395 3.351 10 5 EGBERO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000561379360 459448715 /nfs/dbraw/zinc/44/87/15/459448715.db2.gz GXNZPGQUPWQICN-QGZVFWFLSA-N 1 0 331.416 3.413 10 5 EGBERO COc1cc(C[NH2+]CC(C)(C)CC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000596064306 459506923 /nfs/dbraw/zinc/50/69/23/459506923.db2.gz WBGGGBNIRYBERN-UHFFFAOYSA-N 1 0 336.310 3.377 10 5 EGBERO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167366 459545963 /nfs/dbraw/zinc/54/59/63/459545963.db2.gz CGNCXGBUYWNJLC-DGCLKSJQSA-N 1 0 339.823 3.177 10 5 EGBERO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596231517 459568402 /nfs/dbraw/zinc/56/84/02/459568402.db2.gz KGXWVFDCCYODFH-NWDGAFQWSA-N 1 0 339.823 3.320 10 5 EGBERO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H](C)[NH3+] ZINC000592339857 459576930 /nfs/dbraw/zinc/57/69/30/459576930.db2.gz IJXZYIFZZBJDAZ-WDEREUQCSA-N 1 0 337.445 3.095 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314978 459593721 /nfs/dbraw/zinc/59/37/21/459593721.db2.gz VQSJAKKQPQXORX-UHFFFAOYSA-N 1 0 337.395 3.037 10 5 EGBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC000593084247 459769038 /nfs/dbraw/zinc/76/90/38/459769038.db2.gz QDRFJFROYYEMOP-OAHLLOKOSA-N 1 0 332.379 3.028 10 5 EGBERO CC[C@@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000593370874 459869148 /nfs/dbraw/zinc/86/91/48/459869148.db2.gz OIUNKQFJFRGXKN-QGZVFWFLSA-N 1 0 348.447 3.173 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)o1 ZINC000597231268 459885573 /nfs/dbraw/zinc/88/55/73/459885573.db2.gz PCMUBIDWQZLXLT-KBPBESRZSA-N 1 0 328.368 3.323 10 5 EGBERO COc1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000602600248 460017287 /nfs/dbraw/zinc/01/72/87/460017287.db2.gz HFJBPFQFCAAASM-UHFFFAOYSA-N 1 0 327.793 3.046 10 5 EGBERO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC1CC1 ZINC000598964502 460106362 /nfs/dbraw/zinc/10/63/62/460106362.db2.gz WYNJKYJPINUJEQ-UHFFFAOYSA-N 1 0 342.395 3.477 10 5 EGBERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000598993367 460120429 /nfs/dbraw/zinc/12/04/29/460120429.db2.gz KZWMADBWHOWBKN-HNNXBMFYSA-N 1 0 347.440 3.029 10 5 EGBERO C/C=C\C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000599006366 460124787 /nfs/dbraw/zinc/12/47/87/460124787.db2.gz WCHORWFPLAUZDD-ARJAWSKDSA-N 1 0 334.294 3.210 10 5 EGBERO CCO[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000599302701 460222246 /nfs/dbraw/zinc/22/22/46/460222246.db2.gz JENRLCCSLSMZTJ-GOSISDBHSA-N 1 0 334.416 3.253 10 5 EGBERO CN1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518738 460385923 /nfs/dbraw/zinc/38/59/23/460385923.db2.gz MVQPNVQESIBWNH-IEBWSBKVSA-N 1 0 325.412 3.368 10 5 EGBERO CC[NH+](CC)CCCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601164395 460737614 /nfs/dbraw/zinc/73/76/14/460737614.db2.gz CIACSTBIYFJTCJ-UHFFFAOYSA-N 1 0 347.459 3.255 10 5 EGBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000601975990 460967362 /nfs/dbraw/zinc/96/73/62/460967362.db2.gz OVOAHYOIEUYJBR-GFCCVEGCSA-N 1 0 347.440 3.318 10 5 EGBERO C[NH+](C)Cc1cc(CNc2nc3sccn3c2[N+](=O)[O-])ccc1F ZINC000265236634 535990939 /nfs/dbraw/zinc/99/09/39/535990939.db2.gz RZQMDLNPFIIBKR-UHFFFAOYSA-N 1 0 349.391 3.117 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000267017278 538554540 /nfs/dbraw/zinc/55/45/40/538554540.db2.gz PHCGBVWJUFTABN-UHFFFAOYSA-N 1 0 330.388 3.096 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727095138 574647949 /nfs/dbraw/zinc/64/79/49/574647949.db2.gz YRDMZFYDJOFIQC-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc2C1 ZINC000733991943 575423996 /nfs/dbraw/zinc/42/39/96/575423996.db2.gz JLLWFKQFMYVUBL-KRWDZBQOSA-N 1 0 336.395 3.391 10 5 EGBERO CC1CCC([NH+]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000734489339 575500139 /nfs/dbraw/zinc/50/01/39/575500139.db2.gz YSICKYPLJHCWJR-UHFFFAOYSA-N 1 0 335.423 3.430 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000742411325 576781202 /nfs/dbraw/zinc/78/12/02/576781202.db2.gz PBGUOGKCHIMZAP-RISCZKNCSA-N 1 0 334.445 3.371 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000742411324 576781288 /nfs/dbraw/zinc/78/12/88/576781288.db2.gz PBGUOGKCHIMZAP-FZMZJTMJSA-N 1 0 334.445 3.371 10 5 EGBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000870549670 1295936209 /nfs/dbraw/zinc/93/62/09/1295936209.db2.gz FKYNPOUSKNIJOF-JTQLQIEISA-N 1 0 334.294 3.111 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000870573697 1295949945 /nfs/dbraw/zinc/94/99/45/1295949945.db2.gz OFPDYVNJONNOAT-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872023774 1296666744 /nfs/dbraw/zinc/66/67/44/1296666744.db2.gz KLXVVSDYGOUBMM-ABAIWWIYSA-N 1 0 334.347 3.127 10 5 EGBERO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031594 1296678594 /nfs/dbraw/zinc/67/85/94/1296678594.db2.gz LECNHGKANCFTPC-NSHDSACASA-N 1 0 341.383 3.299 10 5 EGBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037865 1296690440 /nfs/dbraw/zinc/69/04/40/1296690440.db2.gz GCEPQBOIZHYYTC-PWSUYJOCSA-N 1 0 334.395 3.366 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062954 1296708837 /nfs/dbraw/zinc/70/88/37/1296708837.db2.gz RHKPJYKTIRDYLM-ZFWWWQNUSA-N 1 0 332.375 3.378 10 5 EGBERO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872064173 1296710143 /nfs/dbraw/zinc/71/01/43/1296710143.db2.gz CVEOTOCHLAAOPU-HIFRSBDPSA-N 1 0 332.375 3.297 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3c4cccc(Cl)c4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000894373196 1306364419 /nfs/dbraw/zinc/36/44/19/1306364419.db2.gz QIBCTYSSSKJVMN-NEPJUHHUSA-N 1 0 346.818 3.184 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)nc2c1 ZINC000894573556 1308959754 /nfs/dbraw/zinc/95/97/54/1308959754.db2.gz CRAYNRXOBYUGPK-CYBMUJFWSA-N 1 0 344.415 3.443 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1Cl ZINC000895512238 1309380463 /nfs/dbraw/zinc/38/04/63/1309380463.db2.gz JVGRTWMHCXFABG-KDYLLFBJSA-N 1 0 332.787 3.388 10 5 EGBERO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858175808 1328703724 /nfs/dbraw/zinc/70/37/24/1328703724.db2.gz WOLCWKWTCXBIRK-UHFFFAOYSA-N 1 0 341.411 3.162 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000858579380 1328798613 /nfs/dbraw/zinc/79/86/13/1328798613.db2.gz UNYQVDGTFBVCMO-WDEREUQCSA-N 1 0 334.401 3.119 10 5 EGBERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384655 1319019627 /nfs/dbraw/zinc/01/96/27/1319019627.db2.gz AINSBTPSWPOEGX-VIFPVBQESA-N 1 0 345.802 3.170 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393045 1319024365 /nfs/dbraw/zinc/02/43/65/1319024365.db2.gz JLCLUDZUPPMYNW-MRXNPFEDSA-N 1 0 347.459 3.106 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000930208933 1328812077 /nfs/dbraw/zinc/81/20/77/1328812077.db2.gz XWPGTACNMHOJSH-GDIGMMSISA-N 1 0 344.411 3.120 10 5 EGBERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922697732 1322594577 /nfs/dbraw/zinc/59/45/77/1322594577.db2.gz UOOLYNKJBQZVCO-GXTWGEPZSA-N 1 0 332.322 3.493 10 5 EGBERO COc1ccc(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000924840143 1323183521 /nfs/dbraw/zinc/18/35/21/1323183521.db2.gz AWEAGSYLQDHXHK-GFCCVEGCSA-N 1 0 330.388 3.376 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859900595 1329108689 /nfs/dbraw/zinc/10/86/89/1329108689.db2.gz CYQJTXYKVGJNJY-CABCVRRESA-N 1 0 341.411 3.351 10 5 EGBERO CCOc1ccc([C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000925839433 1325322769 /nfs/dbraw/zinc/32/27/69/1325322769.db2.gz BSZZSAYRANZEPY-FSPWUOQZSA-N 1 0 333.432 3.176 10 5 EGBERO C[NH+](C)CC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860344163 1329307484 /nfs/dbraw/zinc/30/74/84/1329307484.db2.gz YEKFOMIZMZPSCJ-UHFFFAOYSA-N 1 0 339.823 3.098 10 5 EGBERO C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926961205 1327799149 /nfs/dbraw/zinc/79/91/49/1327799149.db2.gz XGEGNRVXYJUORE-SKDRFNHKSA-N 1 0 337.317 3.267 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927014534 1327821442 /nfs/dbraw/zinc/82/14/42/1327821442.db2.gz OGVBPBKPABLAMA-GDBMZVCRSA-N 1 0 334.416 3.282 10 5 EGBERO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)(c2ccccc2)CC1 ZINC000866014928 1329759268 /nfs/dbraw/zinc/75/92/68/1329759268.db2.gz AUBDSTMITRHHDZ-UHFFFAOYSA-N 1 0 332.429 3.127 10 5 EGBERO CCC(=O)c1ccc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000866055510 1330060328 /nfs/dbraw/zinc/06/03/28/1330060328.db2.gz YFVARGJAAFGFTN-UHFFFAOYSA-N 1 0 345.443 3.500 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866367245 1330102800 /nfs/dbraw/zinc/10/28/00/1330102800.db2.gz XDGXQBVSAUAQHB-RDJZCZTQSA-N 1 0 345.443 3.006 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCCS1 ZINC000866478805 1330117144 /nfs/dbraw/zinc/11/71/44/1330117144.db2.gz LHTDVQFFTIRVDS-IUODEOHRSA-N 1 0 337.445 3.187 10 5 EGBERO Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000866668140 1330139580 /nfs/dbraw/zinc/13/95/80/1330139580.db2.gz LEWBKOKTMDSUII-JSGCOSHPSA-N 1 0 331.338 3.005 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001324557372 1387673567 /nfs/dbraw/zinc/67/35/67/1387673567.db2.gz ZGFUAAWHUZGYAC-ZBFHGGJFSA-N 1 0 335.404 3.330 10 5 EGBERO CC(C)C1CCC([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC001185612143 1387760651 /nfs/dbraw/zinc/76/06/51/1387760651.db2.gz WOTHNOHKGMWRSR-UHFFFAOYSA-N 1 0 332.448 3.327 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001192451835 1367785579 /nfs/dbraw/zinc/78/55/79/1367785579.db2.gz CYROJUOLVRNLHH-HZPDHXFCSA-N 1 0 348.374 3.215 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001186381635 1387931538 /nfs/dbraw/zinc/93/15/38/1387931538.db2.gz WLHKWEVUIFTGEG-NSHDSACASA-N 1 0 349.822 3.478 10 5 EGBERO COc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001197506355 1368829254 /nfs/dbraw/zinc/82/92/54/1368829254.db2.gz GSIKSIFMCQQERB-LLVKDONJSA-N 1 0 331.328 3.362 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001325750559 1388040103 /nfs/dbraw/zinc/04/01/03/1388040103.db2.gz VKXINNJRKPZNRH-STQMWFEESA-N 1 0 330.388 3.459 10 5 EGBERO Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001187663508 1388139516 /nfs/dbraw/zinc/13/95/16/1388139516.db2.gz XBJYZMJNTJODSF-CYBMUJFWSA-N 1 0 330.363 3.152 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C1CCCC1 ZINC001270708000 1377612361 /nfs/dbraw/zinc/61/23/61/1377612361.db2.gz VISRAXWXPGVCMC-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(CC2(F)F)C1 ZINC001327604917 1388566392 /nfs/dbraw/zinc/56/63/92/1388566392.db2.gz CYXCKXWUPBWJPE-VLRKGOCCSA-N 1 0 339.342 3.089 10 5 EGBERO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c(F)c1 ZINC001161700313 1382484451 /nfs/dbraw/zinc/48/44/51/1382484451.db2.gz WNXFWKKRESIAGM-UHFFFAOYSA-N 1 0 335.310 3.187 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001162258358 1382709470 /nfs/dbraw/zinc/70/94/70/1382709470.db2.gz JYTOTQNBTDXZQM-JSGCOSHPSA-N 1 0 349.431 3.222 10 5 EGBERO CC[C@H]1CCCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001162475983 1382768679 /nfs/dbraw/zinc/76/86/79/1382768679.db2.gz JLUVYQUXUBAGDZ-AWEZNQCLSA-N 1 0 349.431 3.366 10 5 EGBERO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC001162980446 1382935962 /nfs/dbraw/zinc/93/59/62/1382935962.db2.gz XFQZYIJRTWYHTA-UHFFFAOYSA-N 1 0 332.379 3.451 10 5 EGBERO CN(C[C@H]1CCC[N@@H+]1C)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001163544546 1383074829 /nfs/dbraw/zinc/07/48/29/1383074829.db2.gz BJAUXHJBANRBRA-GFCCVEGCSA-N 1 0 334.807 3.327 10 5 EGBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001163941867 1383138243 /nfs/dbraw/zinc/13/82/43/1383138243.db2.gz BSHPFRZSLAGVSD-HNNXBMFYSA-N 1 0 335.452 3.329 10 5 EGBERO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2F)CC1 ZINC001163974180 1383141936 /nfs/dbraw/zinc/14/19/36/1383141936.db2.gz GTBNOGDSBLXLAZ-UHFFFAOYSA-N 1 0 345.378 3.014 10 5 EGBERO C[NH+](C)C1(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001298142268 1383378873 /nfs/dbraw/zinc/37/88/73/1383378873.db2.gz POPPKKULBBXVOV-INIZCTEOSA-N 1 0 345.443 3.175 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001168494760 1383923223 /nfs/dbraw/zinc/92/32/23/1383923223.db2.gz BFJLNZDFNVCEIK-MRXNPFEDSA-N 1 0 345.374 3.382 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001168741052 1383986628 /nfs/dbraw/zinc/98/66/28/1383986628.db2.gz GKARRMOKHHDGPF-GUDVDZBRSA-N 1 0 344.411 3.120 10 5 EGBERO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001307545789 1383999580 /nfs/dbraw/zinc/99/95/80/1383999580.db2.gz YJEASHMRIAMPKZ-IRXDYDNUSA-N 1 0 336.432 3.499 10 5 EGBERO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC001307971467 1384066222 /nfs/dbraw/zinc/06/62/22/1384066222.db2.gz ABQKRBBVGQONLA-GOSISDBHSA-N 1 0 328.416 3.197 10 5 EGBERO C[C@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC001307994392 1384069704 /nfs/dbraw/zinc/06/97/04/1384069704.db2.gz ZEGNHJAPVNJINZ-CYBMUJFWSA-N 1 0 333.432 3.342 10 5 EGBERO C/C=C(/C)C(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001319018861 1385927687 /nfs/dbraw/zinc/92/76/87/1385927687.db2.gz CHRXUFZLVGXBQJ-CQPUUCJISA-N 1 0 345.443 3.279 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)o2)c1 ZINC001319948558 1386411818 /nfs/dbraw/zinc/41/18/18/1386411818.db2.gz OQTVIASGNOULLU-RTHVDDQRSA-N 1 0 342.395 3.448 10 5 EGBERO CC(C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001480223936 1392626980 /nfs/dbraw/zinc/62/69/80/1392626980.db2.gz NOJUZKNLBHUYJU-OKILXGFUSA-N 1 0 339.461 3.219 10 5 EGBERO CCC[N@H+](CCNC(=O)C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001481128753 1393127571 /nfs/dbraw/zinc/12/75/71/1393127571.db2.gz RTYHYJDLAMPQKQ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001484392443 1395363949 /nfs/dbraw/zinc/36/39/49/1395363949.db2.gz QYQCFHQWCLSEJX-WKILWMFISA-N 1 0 347.459 3.407 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)C1=CCCC1 ZINC001495907518 1396570247 /nfs/dbraw/zinc/57/02/47/1396570247.db2.gz FVCAMDJVVZTXLJ-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO C[N@H+](CCCNC(=O)/C=C/C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001689793488 1404138378 /nfs/dbraw/zinc/13/83/78/1404138378.db2.gz MKORESAWHQNPKC-ZHACJKMWSA-N 1 0 333.432 3.135 10 5 EGBERO C/C=C(\C)C(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001732294675 1428517435 /nfs/dbraw/zinc/51/74/35/1428517435.db2.gz HOJMPPSFCJUCBB-CRKCGEKBSA-N 1 0 345.443 3.279 10 5 EGBERO CC/C=C(\C)C(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001700688519 1414340996 /nfs/dbraw/zinc/34/09/96/1414340996.db2.gz XGFZFLRMUMMPHW-VIZOYTHASA-N 1 0 345.443 3.374 10 5 EGBERO CC(C)CCC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001701041073 1414698847 /nfs/dbraw/zinc/69/88/47/1414698847.db2.gz JBBIYZOIVRTYQU-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001707062254 1417178046 /nfs/dbraw/zinc/17/80/46/1417178046.db2.gz OFIZGCIJEAOAED-KGFFTVKESA-N 1 0 345.443 3.182 10 5 EGBERO O=C(CCC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001713979790 1418760589 /nfs/dbraw/zinc/76/05/89/1418760589.db2.gz DRXWNQGFRSABEM-CALCHBBNSA-N 1 0 345.443 3.302 10 5 EGBERO CC[N@H+](CCNC(=O)CC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714574939 1419310200 /nfs/dbraw/zinc/31/02/00/1419310200.db2.gz CZQZVZMEVKEDCR-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCCC1 ZINC001733239636 1429382311 /nfs/dbraw/zinc/38/23/11/1429382311.db2.gz VTFMWIUHRUMPRM-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO Cc1ccsc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715752697 1420325907 /nfs/dbraw/zinc/32/59/07/1420325907.db2.gz YYCUYZFTMUGQSE-UHFFFAOYSA-N 1 0 347.440 3.169 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCCCCC1 ZINC001716286826 1420594579 /nfs/dbraw/zinc/59/45/79/1420594579.db2.gz FHPFKXDOXXVHMN-AATRIKPKSA-N 1 0 343.427 3.247 10 5 EGBERO CC(C)(C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001723544797 1424458337 /nfs/dbraw/zinc/45/83/37/1424458337.db2.gz PZTHKEIRBUNLCF-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO CC(C)(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001725348827 1426002195 /nfs/dbraw/zinc/00/21/95/1426002195.db2.gz HQYSZFROBLYONH-SHTZXODSSA-N 1 0 333.432 3.015 10 5 EGBERO CN(C(=O)CC(C)(C)C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001731344104 1427281771 /nfs/dbraw/zinc/28/17/71/1427281771.db2.gz LFEDFAPBUNSZJF-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO CC(C)c1occc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001731988498 1428198625 /nfs/dbraw/zinc/19/86/25/1428198625.db2.gz ASZULNLGZYAOIE-UHFFFAOYSA-N 1 0 345.399 3.173 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCC1 ZINC001734021258 1437810220 /nfs/dbraw/zinc/81/02/20/1437810220.db2.gz CNCMBPCJQOOPPZ-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335402 232139295 /nfs/dbraw/zinc/13/92/95/232139295.db2.gz WDRDASZXTWWBQG-QGZVFWFLSA-N 1 0 344.415 3.033 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nnc(C4CC4)[nH]3)CC2)cc1 ZINC000069010808 215353020 /nfs/dbraw/zinc/35/30/20/215353020.db2.gz KDGSFLQHTJDWCU-UHFFFAOYSA-N 1 0 341.415 3.012 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000183357901 235025165 /nfs/dbraw/zinc/02/51/65/235025165.db2.gz MKMRONPLKWYFFX-UHFFFAOYSA-N 1 0 345.443 3.128 10 5 EGBERO CCC[C@H](O)C[NH2+][C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000036160137 213074717 /nfs/dbraw/zinc/07/47/17/213074717.db2.gz RTOSXIYEIGYXPT-LSDHHAIUSA-N 1 0 348.403 3.093 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CC=Cc1ccccc1[N+](=O)[O-] ZINC000264098269 246062743 /nfs/dbraw/zinc/06/27/43/246062743.db2.gz XXXUIVSTFIDDKT-DRDHIDPGSA-N 1 0 325.368 3.376 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n1 ZINC000408171322 169162882 /nfs/dbraw/zinc/16/28/82/169162882.db2.gz HWLDTYRQKULUDV-OAGGEKHMSA-N 1 0 332.448 3.448 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1c(C)nn(C)c1C ZINC000347934431 141220241 /nfs/dbraw/zinc/22/02/41/141220241.db2.gz YIGQVLGHUPYEBJ-CQSZACIVSA-N 1 0 332.404 3.195 10 5 EGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000174809501 144052555 /nfs/dbraw/zinc/05/25/55/144052555.db2.gz HJFLHXDEIXUUDY-SECBINFHSA-N 1 0 329.187 3.449 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] ZINC000178192799 144066518 /nfs/dbraw/zinc/06/65/18/144066518.db2.gz GWMBTKYFOGRFSQ-GJZGRUSLSA-N 1 0 341.415 3.013 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341268868 155219796 /nfs/dbraw/zinc/21/97/96/155219796.db2.gz MNBVAIDXXNKLOL-HWKANZROSA-N 1 0 335.310 3.394 10 5 EGBERO Cc1ccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341459334 155304910 /nfs/dbraw/zinc/30/49/10/155304910.db2.gz IOQXLSIQGZFACR-KBPBESRZSA-N 1 0 334.420 3.288 10 5 EGBERO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000115635909 152026348 /nfs/dbraw/zinc/02/63/48/152026348.db2.gz YCYLNPUOZDCQLT-UHFFFAOYSA-N 1 0 346.362 3.117 10 5 EGBERO CCC[NH+](CCC)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000076225052 161720300 /nfs/dbraw/zinc/72/03/00/161720300.db2.gz CCDWCIWDXNHXCV-UHFFFAOYSA-N 1 0 346.431 3.318 10 5 EGBERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000113196662 162203756 /nfs/dbraw/zinc/20/37/56/162203756.db2.gz AOLIVSBCWMGPJT-ZDUSSCGKSA-N 1 0 344.415 3.070 10 5 EGBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@@H+]1CCCC[C@@H]1C ZINC000338873849 163369592 /nfs/dbraw/zinc/36/95/92/163369592.db2.gz WHTKOAPLDCYYQO-STQMWFEESA-N 1 0 344.415 3.069 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000339076727 163455332 /nfs/dbraw/zinc/45/53/32/163455332.db2.gz CCQHFSUUFFKGCY-MSOLQXFVSA-N 1 0 332.375 3.378 10 5 EGBERO COc1ccc(CN(CCC[NH3+])c2ccccc2F)cc1[N+](=O)[O-] ZINC000346372673 164376241 /nfs/dbraw/zinc/37/62/41/164376241.db2.gz VXOYXNROLLOLNQ-UHFFFAOYSA-N 1 0 333.363 3.098 10 5 EGBERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739880 166293348 /nfs/dbraw/zinc/29/33/48/166293348.db2.gz JMFDURFWGAKDOT-HZSPNIEDSA-N 1 0 347.415 3.259 10 5 EGBERO CC1(C)CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000189733791 275220337 /nfs/dbraw/zinc/22/03/37/275220337.db2.gz ZUDFWGITYCWXOG-GFCCVEGCSA-N 1 0 330.331 3.243 10 5 EGBERO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000287458019 276121581 /nfs/dbraw/zinc/12/15/81/276121581.db2.gz RXHJJNXUGDAARQ-GFCCVEGCSA-N 1 0 347.444 3.054 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000289394463 276332477 /nfs/dbraw/zinc/33/24/77/276332477.db2.gz MYLXACIKVHVDMO-FUHWJXTLSA-N 1 0 329.375 3.269 10 5 EGBERO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187770054 278021885 /nfs/dbraw/zinc/02/18/85/278021885.db2.gz CYSRXJVFCKSRTI-HIFRSBDPSA-N 1 0 333.432 3.273 10 5 EGBERO CC1CC[NH+]([C@H](CNc2ccncc2[N+](=O)[O-])c2cccs2)CC1 ZINC000340155352 278550679 /nfs/dbraw/zinc/55/06/79/278550679.db2.gz RKEAGFRTOXFCQF-MRXNPFEDSA-N 1 0 346.456 3.358 10 5 EGBERO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000178674531 280195854 /nfs/dbraw/zinc/19/58/54/280195854.db2.gz LVRWMMLONOONQL-ZWNOBZJWSA-N 1 0 334.401 3.119 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000182684289 281019606 /nfs/dbraw/zinc/01/96/06/281019606.db2.gz ITZRNNQMBVHQPB-HZPDHXFCSA-N 1 0 347.459 3.149 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000129025302 307608818 /nfs/dbraw/zinc/60/88/18/307608818.db2.gz RBCJTLZLEFSYLC-KDOFPFPSSA-N 1 0 339.395 3.359 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)o2)cc1 ZINC000414591578 309091064 /nfs/dbraw/zinc/09/10/64/309091064.db2.gz YVMLCCGMTHWXKM-UKRRQHHQSA-N 1 0 330.384 3.496 10 5 EGBERO Cc1cc(N2CCO[C@@H](C3CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413479682 309033814 /nfs/dbraw/zinc/03/38/14/309033814.db2.gz QOXLMYXATVCARZ-GOSISDBHSA-N 1 0 327.384 3.457 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415700994 309141411 /nfs/dbraw/zinc/14/14/11/309141411.db2.gz NRLZTQDODPBCPJ-VXGBXAGGSA-N 1 0 334.420 3.141 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1cccnc1)CCCC2 ZINC000417350342 309202556 /nfs/dbraw/zinc/20/25/56/309202556.db2.gz PKNNMMVQWDGKAC-QFBILLFUSA-N 1 0 341.411 3.123 10 5 EGBERO CC[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000421371342 309321203 /nfs/dbraw/zinc/32/12/03/309321203.db2.gz CLKMLHGKMBWFMG-YPMHNXCESA-N 1 0 330.331 3.243 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@]34CCOC4)o2)c([N+](=O)[O-])c1 ZINC000421401703 309323050 /nfs/dbraw/zinc/32/30/50/309323050.db2.gz USHJSEPOBOGXIF-GOSISDBHSA-N 1 0 344.367 3.228 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422708946 309364032 /nfs/dbraw/zinc/36/40/32/309364032.db2.gz CLQSOUWOIKEOJY-YESZJQIVSA-N 1 0 333.432 3.004 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000423216031 309390878 /nfs/dbraw/zinc/39/08/78/309390878.db2.gz RHDYDNAYQLORGJ-DNVCBOLYSA-N 1 0 325.412 3.273 10 5 EGBERO CCc1ccc([C@H](N[C@@H]2CC[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389710 309398133 /nfs/dbraw/zinc/39/81/33/309398133.db2.gz JNSWHOVDVYKCDU-OMWUSAIZSA-N 1 0 343.427 3.427 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC(C)(F)F ZINC000449348594 310055882 /nfs/dbraw/zinc/05/58/82/310055882.db2.gz CTEVHWWUERJONF-NSHDSACASA-N 1 0 329.347 3.337 10 5 EGBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425655 310061159 /nfs/dbraw/zinc/06/11/59/310061159.db2.gz QEPXDBMHTYVQAT-XJKSGUPXSA-N 1 0 330.384 3.448 10 5 EGBERO CC[C@H](C)[NH2+][C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000450527953 310128353 /nfs/dbraw/zinc/12/83/53/310128353.db2.gz IXQDKMNYKWLBQW-XHDPSFHLSA-N 1 0 343.387 3.027 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376937 310175066 /nfs/dbraw/zinc/17/50/66/310175066.db2.gz WNHLRYMMMLMJAE-FSIPBHDLSA-N 1 0 341.411 3.066 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451895448 310202383 /nfs/dbraw/zinc/20/23/83/310202383.db2.gz DWVANBMDMJPLHN-SFHVURJKSA-N 1 0 334.416 3.385 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](O)C2CCC2)c2ccccc2)c1 ZINC000453376354 310273702 /nfs/dbraw/zinc/27/37/02/310273702.db2.gz IEDKXURNDASMMR-MOPGFXCFSA-N 1 0 326.396 3.435 10 5 EGBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000456173427 310391937 /nfs/dbraw/zinc/39/19/37/310391937.db2.gz GGESDGOROXFEQN-UHFFFAOYSA-N 1 0 334.420 3.086 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000462814192 310606211 /nfs/dbraw/zinc/60/62/11/310606211.db2.gz CYKOHVSLRWGEEQ-CYBMUJFWSA-N 1 0 328.416 3.366 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)c1ccccc1 ZINC000468748405 310692985 /nfs/dbraw/zinc/69/29/85/310692985.db2.gz QMJCIOKCSCAUSE-SPQRHKFCSA-N 1 0 326.396 3.364 10 5 EGBERO CCC[NH+]1CCC(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514243 310776031 /nfs/dbraw/zinc/77/60/31/310776031.db2.gz SSCUDHIAAXERMI-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO COC(=O)c1cc(NCC[NH+](C(C)C)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000474779894 310799179 /nfs/dbraw/zinc/79/91/79/310799179.db2.gz LIJGUWIMVUARQH-UHFFFAOYSA-N 1 0 337.420 3.221 10 5 EGBERO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537075206 314159754 /nfs/dbraw/zinc/15/97/54/314159754.db2.gz KKBVCUBTVTVLQQ-STQMWFEESA-N 1 0 345.374 3.262 10 5 EGBERO Cc1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000547450052 314903153 /nfs/dbraw/zinc/90/31/53/314903153.db2.gz ANMJRLHIAMVQMA-INIZCTEOSA-N 1 0 346.431 3.385 10 5 EGBERO COc1cc(C)nc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000564125180 316115919 /nfs/dbraw/zinc/11/59/19/316115919.db2.gz WHLHHSSVEBRASO-UHFFFAOYSA-N 1 0 340.383 3.120 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1SC ZINC000569084571 316863228 /nfs/dbraw/zinc/86/32/28/316863228.db2.gz RKGBJLYTKRUJRI-GVDBMIGSSA-N 1 0 349.456 3.117 10 5 EGBERO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569276847 316890810 /nfs/dbraw/zinc/89/08/10/316890810.db2.gz HUVIXYHDYVPNQI-UFBFGSQYSA-N 1 0 346.168 3.088 10 5 EGBERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnn2)cc1 ZINC000182040778 323522293 /nfs/dbraw/zinc/52/22/93/323522293.db2.gz RFSRPSGJHQBVIB-CQSZACIVSA-N 1 0 337.383 3.069 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185110759 323688622 /nfs/dbraw/zinc/68/86/22/323688622.db2.gz TZBXRJLEHCWNDY-NSHDSACASA-N 1 0 334.401 3.121 10 5 EGBERO O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351115103 324173052 /nfs/dbraw/zinc/17/30/52/324173052.db2.gz XYKLQCHGDAXROT-UHFFFAOYSA-N 1 0 325.259 3.099 10 5 EGBERO CCC[NH+]1CCC(CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000578058064 324910430 /nfs/dbraw/zinc/91/04/30/324910430.db2.gz JRFUHRCYTDLOOF-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO CCO[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000580623745 325274953 /nfs/dbraw/zinc/27/49/53/325274953.db2.gz GCTHUKPQVYNEKZ-IRXDYDNUSA-N 1 0 331.416 3.412 10 5 EGBERO [NH3+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCCC1 ZINC000237838607 455224422 /nfs/dbraw/zinc/22/44/22/455224422.db2.gz SLWWRJJIYWNABG-UHFFFAOYSA-N 1 0 325.796 3.030 10 5 EGBERO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311043 455275335 /nfs/dbraw/zinc/27/53/35/455275335.db2.gz BLGCCFAEFUJXME-NVXWUHKLSA-N 1 0 347.459 3.420 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[NH2+]C34CCC4)o2)cc1 ZINC000600678301 460566721 /nfs/dbraw/zinc/56/67/21/460566721.db2.gz IEONJNQXESICJP-KRWDZBQOSA-N 1 0 327.384 3.229 10 5 EGBERO Cc1ccccc1C[N@@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808646 453875619 /nfs/dbraw/zinc/87/56/19/453875619.db2.gz KGMVHQLBTUBASE-UHFFFAOYSA-N 1 0 326.400 3.011 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccc(F)cc1 ZINC000055022495 453956659 /nfs/dbraw/zinc/95/66/59/453956659.db2.gz RVGOSUJRXROISM-ZDUSSCGKSA-N 1 0 345.374 3.235 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084250647 453980054 /nfs/dbraw/zinc/98/00/54/453980054.db2.gz UJDAEZYKFHLPJF-UHFFFAOYSA-N 1 0 347.440 3.169 10 5 EGBERO COc1ccc(NC(=O)CC[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184642816 455419144 /nfs/dbraw/zinc/41/91/44/455419144.db2.gz IADWOZXTVVVMIG-GFCCVEGCSA-N 1 0 335.404 3.100 10 5 EGBERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130246413 454184909 /nfs/dbraw/zinc/18/49/09/454184909.db2.gz ZJJFJIHLZJGIPU-ZDUSSCGKSA-N 1 0 346.431 3.316 10 5 EGBERO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000132112520 454314905 /nfs/dbraw/zinc/31/49/05/454314905.db2.gz SCMFVRQCUFXPEV-LBPRGKRZSA-N 1 0 332.356 3.084 10 5 EGBERO Cc1cc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC000090529689 454317506 /nfs/dbraw/zinc/31/75/06/454317506.db2.gz BLCITVORFGQOFI-SJCJKPOMSA-N 1 0 328.416 3.168 10 5 EGBERO Cc1sc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063758347 454446395 /nfs/dbraw/zinc/44/63/95/454446395.db2.gz POBXKOOKXLEZDA-GFCCVEGCSA-N 1 0 339.461 3.207 10 5 EGBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000121940350 454496732 /nfs/dbraw/zinc/49/67/32/454496732.db2.gz JYONWYPRMMQWSQ-QGZVFWFLSA-N 1 0 343.431 3.024 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000104694998 454596596 /nfs/dbraw/zinc/59/65/96/454596596.db2.gz VLDXHQCBQIQDNB-KRWDZBQOSA-N 1 0 344.415 3.453 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000092657746 454602605 /nfs/dbraw/zinc/60/26/05/454602605.db2.gz RZHMZLNJUHPVQB-CYBMUJFWSA-N 1 0 337.395 3.055 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897583 454667216 /nfs/dbraw/zinc/66/72/16/454667216.db2.gz MZHNLBYSWZTTFP-HNNXBMFYSA-N 1 0 344.415 3.199 10 5 EGBERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213200 454685528 /nfs/dbraw/zinc/68/55/28/454685528.db2.gz MDMWXDRIKNKVLH-INIZCTEOSA-N 1 0 328.416 3.499 10 5 EGBERO Cc1sc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107531066 454761843 /nfs/dbraw/zinc/76/18/43/454761843.db2.gz KGFXIUARAHTHTE-ZDUSSCGKSA-N 1 0 337.445 3.055 10 5 EGBERO Cc1c(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000153796371 454834913 /nfs/dbraw/zinc/83/49/13/454834913.db2.gz JBXWBFNBSYKWBF-HNNXBMFYSA-N 1 0 347.459 3.276 10 5 EGBERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000177744007 454898906 /nfs/dbraw/zinc/89/89/06/454898906.db2.gz DHBSBLZQDRBIJS-SFHVURJKSA-N 1 0 342.443 3.099 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000246328474 455471966 /nfs/dbraw/zinc/47/19/66/455471966.db2.gz CSGFWKGHASQCFI-CPUCHLNUSA-N 1 0 348.447 3.028 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000277835491 455681011 /nfs/dbraw/zinc/68/10/11/455681011.db2.gz IMZWAVQVUHDWHI-UHFFFAOYSA-N 1 0 339.823 3.018 10 5 EGBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000292643747 455720365 /nfs/dbraw/zinc/72/03/65/455720365.db2.gz KPHDCEGUHYGZBO-GFCCVEGCSA-N 1 0 341.839 3.407 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000271681714 455720826 /nfs/dbraw/zinc/72/08/26/455720826.db2.gz CPHLMZOFJAQCIG-GFCCVEGCSA-N 1 0 331.328 3.233 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195356060 455949393 /nfs/dbraw/zinc/94/93/93/455949393.db2.gz LTPPFHGUSPGMNL-CYBMUJFWSA-N 1 0 333.413 3.310 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000601106426 460713776 /nfs/dbraw/zinc/71/37/76/460713776.db2.gz WSUPZKWHIQRBOM-UHFFFAOYSA-N 1 0 348.353 3.345 10 5 EGBERO CCOc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301511236 456134423 /nfs/dbraw/zinc/13/44/23/456134423.db2.gz IOQAPNHKAJSFTF-INIZCTEOSA-N 1 0 333.432 3.448 10 5 EGBERO CC[N@@H+]1CCc2c(cccc2Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301681967 456184532 /nfs/dbraw/zinc/18/45/32/456184532.db2.gz GDLNMYPYBSOLPC-UHFFFAOYSA-N 1 0 343.412 3.426 10 5 EGBERO Cc1ccc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301832521 456226837 /nfs/dbraw/zinc/22/68/37/456226837.db2.gz UGTWLWYMCKKZPQ-UHFFFAOYSA-N 1 0 346.475 3.265 10 5 EGBERO COc1ccc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000237153790 456238773 /nfs/dbraw/zinc/23/87/73/456238773.db2.gz SWBHUNAKHGEEMZ-ACJLOTCBSA-N 1 0 336.432 3.270 10 5 EGBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275404379 456274130 /nfs/dbraw/zinc/27/41/30/456274130.db2.gz BNCOXJJIAOJYQO-AWEZNQCLSA-N 1 0 349.434 3.165 10 5 EGBERO Cc1cc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)on1 ZINC000353063466 456469335 /nfs/dbraw/zinc/46/93/35/456469335.db2.gz MOZSANCAADEXOM-UHFFFAOYSA-N 1 0 327.340 3.484 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)co2)cc1 ZINC000340691992 456629370 /nfs/dbraw/zinc/62/93/70/456629370.db2.gz PHIDOZFMDBQPKR-RHSMWYFYSA-N 1 0 343.383 3.251 10 5 EGBERO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353568686 456766918 /nfs/dbraw/zinc/76/69/18/456766918.db2.gz FBEQGDSZGDNDIB-MRXNPFEDSA-N 1 0 343.402 3.440 10 5 EGBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291993675 456822446 /nfs/dbraw/zinc/82/24/46/456822446.db2.gz QTOJCIFJLVFALL-KGLIPLIRSA-N 1 0 326.400 3.206 10 5 EGBERO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301221461 456824772 /nfs/dbraw/zinc/82/47/72/456824772.db2.gz CADYUKLWVYKPQE-INIZCTEOSA-N 1 0 341.415 3.112 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353751461 456889974 /nfs/dbraw/zinc/88/99/74/456889974.db2.gz PRIAFRDXAXGRFL-GOSISDBHSA-N 1 0 334.416 3.386 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000345876327 457003461 /nfs/dbraw/zinc/00/34/61/457003461.db2.gz AXDZLSDKVUQSRT-UHFFFAOYSA-N 1 0 333.432 3.321 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000359100765 457055114 /nfs/dbraw/zinc/05/51/14/457055114.db2.gz YBYVFUCGRMBGTQ-UHFFFAOYSA-N 1 0 328.416 3.175 10 5 EGBERO Cc1nc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000354422138 457211764 /nfs/dbraw/zinc/21/17/64/457211764.db2.gz KPJGOMMALGEVCS-INIZCTEOSA-N 1 0 326.400 3.009 10 5 EGBERO COc1cc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000352524240 457437984 /nfs/dbraw/zinc/43/79/84/457437984.db2.gz ATAIKKGCIHHQHS-HLLBOEOZSA-N 1 0 347.459 3.441 10 5 EGBERO COC(=O)c1cc(F)ccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549595 457459039 /nfs/dbraw/zinc/45/90/39/457459039.db2.gz DMYQILQPDHMTOP-UHFFFAOYSA-N 1 0 346.358 3.195 10 5 EGBERO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697971 457462722 /nfs/dbraw/zinc/46/27/22/457462722.db2.gz FAVHLTRPEJIPTH-CABCVRRESA-N 1 0 349.431 3.060 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433068359 457748233 /nfs/dbraw/zinc/74/82/33/457748233.db2.gz OUHXOWJNSSBCKZ-OAHLLOKOSA-N 1 0 332.444 3.448 10 5 EGBERO COCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000426527359 457849107 /nfs/dbraw/zinc/84/91/07/457849107.db2.gz XZGSUXKDGQEEKU-AWEZNQCLSA-N 1 0 346.383 3.092 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)cccc1[N+](=O)[O-] ZINC000358217594 457867357 /nfs/dbraw/zinc/86/73/57/457867357.db2.gz HFOWFTVMFPOFAP-CYBMUJFWSA-N 1 0 326.400 3.464 10 5 EGBERO COc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447603568 458320678 /nfs/dbraw/zinc/32/06/78/458320678.db2.gz WYOMOOFMCURRCK-LSDHHAIUSA-N 1 0 348.378 3.213 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000373203417 458428634 /nfs/dbraw/zinc/42/86/34/458428634.db2.gz ONAPBQAQYMZBLH-APWZRJJASA-N 1 0 342.395 3.341 10 5 EGBERO COc1cc(C[NH2+][C@@H](C)CCCc2cccnc2)ccc1[N+](=O)[O-] ZINC000459644668 458434204 /nfs/dbraw/zinc/43/42/04/458434204.db2.gz XGOLLPRMWKLRHF-AWEZNQCLSA-N 1 0 329.400 3.499 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462816412 458657870 /nfs/dbraw/zinc/65/78/70/458657870.db2.gz KZKFVJIKOQAJSH-CQSZACIVSA-N 1 0 342.443 3.318 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000439163825 458665569 /nfs/dbraw/zinc/66/55/69/458665569.db2.gz HJPHOFOQECUNSE-DGCLKSJQSA-N 1 0 339.823 3.111 10 5 EGBERO CC[C@H](C)[NH+]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000456540372 458706985 /nfs/dbraw/zinc/70/69/85/458706985.db2.gz ZOVLQCBGDFRPQL-LBPRGKRZSA-N 1 0 339.823 3.113 10 5 EGBERO CC(C)(C)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000530361453 458754868 /nfs/dbraw/zinc/75/48/68/458754868.db2.gz OPFYGPWOYYZMJS-UHFFFAOYSA-N 1 0 345.443 3.242 10 5 EGBERO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000467742791 458984248 /nfs/dbraw/zinc/98/42/48/458984248.db2.gz HUQPMGSHSHRZIE-CQSZACIVSA-N 1 0 345.374 3.429 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520402533 459056215 /nfs/dbraw/zinc/05/62/15/459056215.db2.gz YMBMJWUTXJXAEQ-INIZCTEOSA-N 1 0 328.368 3.257 10 5 EGBERO O=[N+]([O-])c1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c(F)c1 ZINC000594738213 459146449 /nfs/dbraw/zinc/14/64/49/459146449.db2.gz BUASNDDSACQXNM-KRWDZBQOSA-N 1 0 331.347 3.007 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)o1 ZINC000594987894 459207535 /nfs/dbraw/zinc/20/75/35/459207535.db2.gz MOCHTFQXLSWVLI-DLBZAZTESA-N 1 0 328.368 3.248 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000595059727 459230304 /nfs/dbraw/zinc/23/03/04/459230304.db2.gz HTSSLEYYFXNMNU-CYBMUJFWSA-N 1 0 327.384 3.082 10 5 EGBERO CCC[C@@H]([NH2+][C@@H](COC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000595075597 459238661 /nfs/dbraw/zinc/23/86/61/459238661.db2.gz ZPGJNGWNCMDNAI-MSOLQXFVSA-N 1 0 336.432 3.467 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC000595090680 459241966 /nfs/dbraw/zinc/24/19/66/459241966.db2.gz CVKKJQVUZKDENJ-XPJGSDBHSA-N 1 0 332.444 3.447 10 5 EGBERO CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591306202 459350114 /nfs/dbraw/zinc/35/01/14/459350114.db2.gz KIQDFBDHSCHSAI-IUODEOHRSA-N 1 0 348.447 3.483 10 5 EGBERO O=[N+]([O-])c1cccc2c1CCN([C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000560729649 459391847 /nfs/dbraw/zinc/39/18/47/459391847.db2.gz KOGFYKKPOQMMKD-SFHVURJKSA-N 1 0 337.423 3.227 10 5 EGBERO CC[NH+](CC)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141950 459535227 /nfs/dbraw/zinc/53/52/27/459535227.db2.gz NGCPZQYMJZMBEU-GFCCVEGCSA-N 1 0 341.839 3.425 10 5 EGBERO CCOc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000592177828 459543776 /nfs/dbraw/zinc/54/37/76/459543776.db2.gz UEIPVTWUJWNQLH-SFHVURJKSA-N 1 0 348.443 3.436 10 5 EGBERO C[N@@H+]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592376348 459584600 /nfs/dbraw/zinc/58/46/00/459584600.db2.gz AVUHRDFACSTZOL-MJGOQNOKSA-N 1 0 325.412 3.030 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592399388 459593756 /nfs/dbraw/zinc/59/37/56/459593756.db2.gz YZCMELMZOHXBEO-DUVNUKRYSA-N 1 0 349.431 3.248 10 5 EGBERO COCC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583835355 459605314 /nfs/dbraw/zinc/60/53/14/459605314.db2.gz AULZLSJGKOEQDK-SUMWQHHRSA-N 1 0 331.416 3.413 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000593043461 459751876 /nfs/dbraw/zinc/75/18/76/459751876.db2.gz YQUYOIRXEVLVPN-UHFFFAOYSA-N 1 0 347.802 3.079 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000593065105 459761949 /nfs/dbraw/zinc/76/19/49/459761949.db2.gz SPDQDTLLQJIVDN-KSSFIOAISA-N 1 0 348.374 3.215 10 5 EGBERO CC[NH+](CC)CCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000584628244 459776358 /nfs/dbraw/zinc/77/63/58/459776358.db2.gz CISZVFFXMYIOQT-UHFFFAOYSA-N 1 0 330.388 3.454 10 5 EGBERO CSc1cccc(C(=O)NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593203047 459807202 /nfs/dbraw/zinc/80/72/02/459807202.db2.gz GRQBURLGVDITDK-UHFFFAOYSA-N 1 0 339.461 3.024 10 5 EGBERO C[C@@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)C1O ZINC000597206771 459876141 /nfs/dbraw/zinc/87/61/41/459876141.db2.gz VQDQQRXUXVFERV-CHWSQXEVSA-N 1 0 330.384 3.304 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597213829 459880593 /nfs/dbraw/zinc/88/05/93/459880593.db2.gz IANHHWFHVBKQMB-KSSFIOAISA-N 1 0 344.455 3.447 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)cs2)c1 ZINC000597231248 459885115 /nfs/dbraw/zinc/88/51/15/459885115.db2.gz OXPPGRBZSDROSC-ZIAGYGMSSA-N 1 0 345.424 3.187 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000589241876 460060543 /nfs/dbraw/zinc/06/05/43/460060543.db2.gz FBTKQDNPADSYKZ-CYBMUJFWSA-N 1 0 343.383 3.283 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000576087094 460067151 /nfs/dbraw/zinc/06/71/51/460067151.db2.gz WHABZZFZUSTEFX-RDTXWAMCSA-N 1 0 341.411 3.431 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594040443 460069089 /nfs/dbraw/zinc/06/90/89/460069089.db2.gz FZTYFXRNIYBXJF-NVXWUHKLSA-N 1 0 349.431 3.169 10 5 EGBERO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945528 460121759 /nfs/dbraw/zinc/12/17/59/460121759.db2.gz HPAIYCHAJNYTAO-CQSZACIVSA-N 1 0 333.432 3.059 10 5 EGBERO Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599060034 460145973 /nfs/dbraw/zinc/14/59/73/460145973.db2.gz LPIRBPJJEPETNS-LBPRGKRZSA-N 1 0 340.305 3.124 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4cnccc4c3)C2)nc1 ZINC000618813123 460187013 /nfs/dbraw/zinc/18/70/13/460187013.db2.gz WTTWMHUENVXECJ-KRWDZBQOSA-N 1 0 349.394 3.224 10 5 EGBERO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621300 460289045 /nfs/dbraw/zinc/28/90/45/460289045.db2.gz IIWCHJFEBOGKKD-INIZCTEOSA-N 1 0 332.379 3.199 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(Nc3ncc(F)cc3[N+](=O)[O-])cccc21 ZINC000601155879 460734755 /nfs/dbraw/zinc/73/47/55/460734755.db2.gz INBMSDGMRMBUAU-ZDUSSCGKSA-N 1 0 332.335 3.258 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601321889 460789300 /nfs/dbraw/zinc/78/93/00/460789300.db2.gz XZKRPOGHUWBQIW-TZMCWYRMSA-N 1 0 330.388 3.376 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601791337 460899612 /nfs/dbraw/zinc/89/96/12/460899612.db2.gz LCZNUHZIQUCOCN-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335391 534781220 /nfs/dbraw/zinc/78/12/20/534781220.db2.gz WDRDASZXTWWBQG-KRWDZBQOSA-N 1 0 344.415 3.033 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000130443215 534887879 /nfs/dbraw/zinc/88/78/79/534887879.db2.gz JXRONKYWEXKHPE-CWRNSKLLSA-N 1 0 341.415 3.022 10 5 EGBERO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357930997 535244077 /nfs/dbraw/zinc/24/40/77/535244077.db2.gz GMRJOECMBSBFLA-KBPBESRZSA-N 1 0 336.436 3.075 10 5 EGBERO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734001286 575420855 /nfs/dbraw/zinc/42/08/55/575420855.db2.gz QAXCNHYLTRGGJY-LLVKDONJSA-N 1 0 325.796 3.451 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000870571107 1295948048 /nfs/dbraw/zinc/94/80/48/1295948048.db2.gz HPTFZFNBGBOAOB-UHFFFAOYSA-N 1 0 339.823 3.195 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000870572792 1295950657 /nfs/dbraw/zinc/95/06/57/1295950657.db2.gz BNFYRNQGLSJWOR-PFONDFGASA-N 1 0 345.443 3.331 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025061 1296668664 /nfs/dbraw/zinc/66/86/64/1296668664.db2.gz HBJOVQUWTZIADD-GHMZBOCLSA-N 1 0 349.328 3.269 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041687 1296692550 /nfs/dbraw/zinc/69/25/50/1296692550.db2.gz JZQWXKXOXFHDIR-VXGBXAGGSA-N 1 0 348.353 3.198 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051585 1296702829 /nfs/dbraw/zinc/70/28/29/1296702829.db2.gz LNOCZHVHWYCUCX-CHWSQXEVSA-N 1 0 330.363 3.058 10 5 EGBERO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872064277 1296710484 /nfs/dbraw/zinc/71/04/84/1296710484.db2.gz FETCTODEDUTKOW-DZGCQCFKSA-N 1 0 332.375 3.297 10 5 EGBERO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065246 1296712463 /nfs/dbraw/zinc/71/24/63/1296712463.db2.gz WIKTXQGYCCVJQO-DZGCQCFKSA-N 1 0 332.375 3.297 10 5 EGBERO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CCOC1 ZINC000872085044 1296725727 /nfs/dbraw/zinc/72/57/27/1296725727.db2.gz MRUSULHCSOSPGD-SLEUVZQESA-N 1 0 340.445 3.019 10 5 EGBERO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000872231997 1296834812 /nfs/dbraw/zinc/83/48/12/1296834812.db2.gz WKDRHNJAWFOBNI-UHFFFAOYSA-N 1 0 329.347 3.194 10 5 EGBERO CC(C)(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000872234317 1296837365 /nfs/dbraw/zinc/83/73/65/1296837365.db2.gz OHRUOIPGDIGVLG-ZDUSSCGKSA-N 1 0 348.399 3.015 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872279971 1296886895 /nfs/dbraw/zinc/88/68/95/1296886895.db2.gz IFPCEOXRJUMTHW-MSOLQXFVSA-N 1 0 334.416 3.052 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878370863 1299953027 /nfs/dbraw/zinc/95/30/27/1299953027.db2.gz NEDAOYPTXLHBOQ-IRXDYDNUSA-N 1 0 334.416 3.364 10 5 EGBERO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879063889 1300347768 /nfs/dbraw/zinc/34/77/68/1300347768.db2.gz WJRXXWZDFKOZEX-SJCJKPOMSA-N 1 0 328.372 3.409 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883270482 1302347932 /nfs/dbraw/zinc/34/79/32/1302347932.db2.gz PCKQDKMDLDPVHN-VRXKTSEUSA-N 1 0 330.384 3.032 10 5 EGBERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])O2 ZINC000886341395 1303442085 /nfs/dbraw/zinc/44/20/85/1303442085.db2.gz UQDBATRGZVTODD-MJTMPMIASA-N 1 0 346.427 3.170 10 5 EGBERO Cc1noc2ncc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc12 ZINC000894679937 1309017963 /nfs/dbraw/zinc/01/79/63/1309017963.db2.gz UWTZAXSGRTWQQF-UHFFFAOYSA-N 1 0 326.356 3.114 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464392 1328768415 /nfs/dbraw/zinc/76/84/15/1328768415.db2.gz LUBCFQUHJISDMT-XJKSGUPXSA-N 1 0 332.448 3.235 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000858506597 1328783681 /nfs/dbraw/zinc/78/36/81/1328783681.db2.gz VCHBBBQCYMUMHZ-CJNGLKHVSA-N 1 0 332.400 3.157 10 5 EGBERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514925 1328786086 /nfs/dbraw/zinc/78/60/86/1328786086.db2.gz XSSVKYCZUMSBGH-ROUUACIJSA-N 1 0 339.395 3.105 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930984269 1329021690 /nfs/dbraw/zinc/02/16/90/1329021690.db2.gz CIUZRKDGXVQBMA-HNNXBMFYSA-N 1 0 341.411 3.120 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922806755 1322622513 /nfs/dbraw/zinc/62/25/13/1322622513.db2.gz LJDDJPQVKPNLNY-VHUCWBOISA-N 1 0 346.427 3.316 10 5 EGBERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859715834 1329062110 /nfs/dbraw/zinc/06/21/10/1329062110.db2.gz QGZJGQZMOBEJFZ-OAHLLOKOSA-N 1 0 341.411 3.304 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000925381665 1325136267 /nfs/dbraw/zinc/13/62/67/1325136267.db2.gz ACMTVRKZTZKXNL-HNNXBMFYSA-N 1 0 333.775 3.299 10 5 EGBERO CCC[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791537 1325302714 /nfs/dbraw/zinc/30/27/14/1325302714.db2.gz ATYXVNTYXIQGBL-AEFFLSMTSA-N 1 0 347.459 3.184 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C ZINC000860501133 1329324959 /nfs/dbraw/zinc/32/49/59/1329324959.db2.gz MWDKCVAYDRFDOS-ZIAGYGMSSA-N 1 0 341.411 3.303 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926913776 1327773225 /nfs/dbraw/zinc/77/32/25/1327773225.db2.gz FRRIZQWYSSFGQH-NURSFMCSSA-N 1 0 347.337 3.328 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000926948207 1327790537 /nfs/dbraw/zinc/79/05/37/1327790537.db2.gz IBUKCMCEDLWOEM-XHDPSFHLSA-N 1 0 343.349 3.352 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000927075598 1327846197 /nfs/dbraw/zinc/84/61/97/1327846197.db2.gz GVONKZABYSSZKX-YJBOKZPZSA-N 1 0 348.443 3.091 10 5 EGBERO Cc1c(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000927282521 1327954296 /nfs/dbraw/zinc/95/42/96/1327954296.db2.gz MZAFVGYDNBXMAH-UHFFFAOYSA-N 1 0 346.431 3.432 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000928011287 1328170814 /nfs/dbraw/zinc/17/08/14/1328170814.db2.gz NSEBUHZHPFOXAZ-UHFFFAOYSA-N 1 0 349.406 3.261 10 5 EGBERO O=[N+]([O-])c1cn(C[N@@H+]2CCCC3(CC3)CC2)nc1-c1ccncc1 ZINC000863331887 1329546989 /nfs/dbraw/zinc/54/69/89/1329546989.db2.gz XOTICTULQHLJER-UHFFFAOYSA-N 1 0 327.388 3.077 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC000866207735 1330078445 /nfs/dbraw/zinc/07/84/45/1330078445.db2.gz JNCVOSGJNDXINM-CVEARBPZSA-N 1 0 338.411 3.187 10 5 EGBERO CO[C@@H](CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000866346133 1330099900 /nfs/dbraw/zinc/09/99/00/1330099900.db2.gz UPRGTNMOYZNRTQ-RNCFNFMXSA-N 1 0 338.301 3.222 10 5 EGBERO CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000866452982 1330114304 /nfs/dbraw/zinc/11/43/04/1330114304.db2.gz DKERVAOYDDJIOE-QZTJIDSGSA-N 1 0 347.459 3.093 10 5 EGBERO CC[C@@H](C[NH+]1CCCC1)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001185345923 1387688951 /nfs/dbraw/zinc/68/89/51/1387688951.db2.gz FROBVNNMPLCORO-NSHDSACASA-N 1 0 349.822 3.478 10 5 EGBERO C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001192673474 1367847613 /nfs/dbraw/zinc/84/76/13/1367847613.db2.gz OBKKLJZADVBYFT-LBPRGKRZSA-N 1 0 338.367 3.137 10 5 EGBERO CC(C)C1(C)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001193618037 1368075673 /nfs/dbraw/zinc/07/56/73/1368075673.db2.gz YJXWDXWEVGORPN-QGZVFWFLSA-N 1 0 345.443 3.458 10 5 EGBERO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC001197202526 1368763628 /nfs/dbraw/zinc/76/36/28/1368763628.db2.gz OACWVJIGXSXYMQ-UHFFFAOYSA-N 1 0 338.367 3.147 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001187932571 1388193821 /nfs/dbraw/zinc/19/38/21/1388193821.db2.gz XFYGVYQYSWSNGI-OAHLLOKOSA-N 1 0 349.793 3.408 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC001326466393 1388201569 /nfs/dbraw/zinc/20/15/69/1388201569.db2.gz YBVNBYOKBJBFMA-KGLIPLIRSA-N 1 0 328.372 3.465 10 5 EGBERO Cc1coc(C(=O)N(C)CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001327249991 1388462814 /nfs/dbraw/zinc/46/28/14/1388462814.db2.gz ACTWOZZQZUAYMF-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO C[N@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1ccc([N+](=O)[O-])cc1 ZINC001266359718 1377294276 /nfs/dbraw/zinc/29/42/76/1377294276.db2.gz CENCCRXUGISVPW-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001137114665 1377481230 /nfs/dbraw/zinc/48/12/30/1377481230.db2.gz OUZLGEUXINHLPT-WMZOPIPTSA-N 1 0 347.459 3.154 10 5 EGBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001141649037 1378357792 /nfs/dbraw/zinc/35/77/92/1378357792.db2.gz CIORNWKUKUUMEE-OAHLLOKOSA-N 1 0 347.459 3.253 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001148264584 1379141252 /nfs/dbraw/zinc/14/12/52/1379141252.db2.gz OUTNRIFYXDVYRO-OAHLLOKOSA-N 1 0 347.459 3.448 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C2CCCC2)[C@H](C)C1 ZINC001154889838 1380373615 /nfs/dbraw/zinc/37/36/15/1380373615.db2.gz SCTSQXAXEVLXQR-CQSZACIVSA-N 1 0 345.443 3.301 10 5 EGBERO Cc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c(N)c1[N+](=O)[O-] ZINC001158232522 1381168617 /nfs/dbraw/zinc/16/86/17/1381168617.db2.gz XYDYQEKXAZKZEZ-OAHLLOKOSA-N 1 0 342.399 3.117 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC001161699750 1382484252 /nfs/dbraw/zinc/48/42/52/1382484252.db2.gz DPZNKRNPRFJYON-UHFFFAOYSA-N 1 0 331.347 3.356 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001162163089 1382644796 /nfs/dbraw/zinc/64/47/96/1382644796.db2.gz VIBCDNGUVNGRNF-CQSZACIVSA-N 1 0 349.431 3.448 10 5 EGBERO CC1CC[NH+]([C@H](CNc2ccncc2[N+](=O)[O-])c2ccccc2)CC1 ZINC001162232511 1382662542 /nfs/dbraw/zinc/66/25/42/1382662542.db2.gz ZHLMDQMWZDBHEE-GOSISDBHSA-N 1 0 340.427 3.297 10 5 EGBERO COc1cc(Nc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])cc1OC ZINC001162430123 1382757443 /nfs/dbraw/zinc/75/74/43/1382757443.db2.gz BDLIXCFXLYULHW-UHFFFAOYSA-N 1 0 345.399 3.460 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC001295872169 1382850717 /nfs/dbraw/zinc/85/07/17/1382850717.db2.gz WNQCETUAKZUAJO-MAUKXSAKSA-N 1 0 345.443 3.206 10 5 EGBERO CN(C[C@@H]1CCC[N@@H+]1C)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001163544548 1383074864 /nfs/dbraw/zinc/07/48/64/1383074864.db2.gz BJAUXHJBANRBRA-LBPRGKRZSA-N 1 0 334.807 3.327 10 5 EGBERO CC[NH+](CC)CCCCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001306996107 1383931394 /nfs/dbraw/zinc/93/13/94/1383931394.db2.gz JWKCAMHNKGGRGX-UHFFFAOYSA-N 1 0 346.431 3.107 10 5 EGBERO C[C@@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1(Cl)Cl ZINC001307416342 1383985946 /nfs/dbraw/zinc/98/59/46/1383985946.db2.gz ZMENJCRCRMFVQG-AWEZNQCLSA-N 1 0 344.242 3.301 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171017543 1384430415 /nfs/dbraw/zinc/43/04/15/1384430415.db2.gz FEXOQJAZYSWKKM-SJORKVTESA-N 1 0 328.416 3.368 10 5 EGBERO O=C(C[N@@H+]1CCCC[C@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171751746 1384625617 /nfs/dbraw/zinc/62/56/17/1384625617.db2.gz OEJXKTHPBMIMQA-KRWDZBQOSA-N 1 0 343.427 3.139 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001175925341 1385438787 /nfs/dbraw/zinc/43/87/87/1385438787.db2.gz JFRKMONIUPFIET-SFHVURJKSA-N 1 0 346.358 3.266 10 5 EGBERO C/C=C(/C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318947070 1385891673 /nfs/dbraw/zinc/89/16/73/1385891673.db2.gz DPYHGRXVDWAEAA-WJCZRZBZSA-N 1 0 331.416 3.078 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001338210025 1389586566 /nfs/dbraw/zinc/58/65/66/1389586566.db2.gz XLQWDXCYHGHJCF-GFCCVEGCSA-N 1 0 334.420 3.012 10 5 EGBERO CC1(C)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)[NH2+]1 ZINC001351005630 1391579565 /nfs/dbraw/zinc/57/95/65/1391579565.db2.gz LUAZZNLPRHMZGC-UHFFFAOYSA-N 1 0 345.399 3.334 10 5 EGBERO CC(C)(C)CC(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001481160087 1393138401 /nfs/dbraw/zinc/13/84/01/1393138401.db2.gz ZKRZCGHIVQGJEY-UHFFFAOYSA-N 1 0 333.432 3.112 10 5 EGBERO CC(C)(C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC001481184323 1393144365 /nfs/dbraw/zinc/14/43/65/1393144365.db2.gz NBYJDEABYBBBPF-UHFFFAOYSA-N 1 0 345.443 3.112 10 5 EGBERO CCC(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691133591 1405069875 /nfs/dbraw/zinc/06/98/75/1405069875.db2.gz OSXIDMHSBGRZMR-SAZUREKKSA-N 1 0 333.432 3.015 10 5 EGBERO C=C/C(C)=C\CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691735016 1405457432 /nfs/dbraw/zinc/45/74/32/1405457432.db2.gz URHGPLVCCDJEEQ-AZZGRDHHSA-N 1 0 349.456 3.163 10 5 EGBERO CCCC(=O)NCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001732314965 1428526608 /nfs/dbraw/zinc/52/66/08/1428526608.db2.gz PZWSRTPFCKAFRH-UHFFFAOYSA-N 1 0 341.411 3.301 10 5 EGBERO CC(C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001733098146 1429241266 /nfs/dbraw/zinc/24/12/66/1429241266.db2.gz IUEMGTHAUMOSRW-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1ccc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001713658372 1418417701 /nfs/dbraw/zinc/41/77/01/1418417701.db2.gz ZUARKGCUMPHFOB-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO CCc1occc1C(=O)N(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001715729006 1420313929 /nfs/dbraw/zinc/31/39/29/1420313929.db2.gz VQWZPWKYNMPLBF-UHFFFAOYSA-N 1 0 345.399 3.002 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC(C)(C)C1 ZINC001716235171 1420575600 /nfs/dbraw/zinc/57/56/00/1420575600.db2.gz CIMWSDDVTSBVFZ-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC/C=C(\C)C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001717204914 1421175414 /nfs/dbraw/zinc/17/54/14/1421175414.db2.gz REZCOXUZEBCKTJ-OVCLIPMQSA-N 1 0 333.432 3.231 10 5 EGBERO C/C=C(\C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001734088717 1437873614 /nfs/dbraw/zinc/87/36/14/1437873614.db2.gz UJUPPUCJXVKXJZ-CRKCGEKBSA-N 1 0 345.443 3.470 10 5 EGBERO Cc1nc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+](C)C(C)C)n1C ZINC000100667897 219104426 /nfs/dbraw/zinc/10/44/26/219104426.db2.gz QXIIKWTVJLKSLU-UHFFFAOYSA-N 1 0 331.420 3.089 10 5 EGBERO CCC[C@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160397 213074476 /nfs/dbraw/zinc/07/44/76/213074476.db2.gz UIJZZNZPDFGOHM-LSDHHAIUSA-N 1 0 348.403 3.093 10 5 EGBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000261885606 283578890 /nfs/dbraw/zinc/57/88/90/283578890.db2.gz NBMZJXUQJJYQAU-ADEWGFFLSA-N 1 0 329.322 3.177 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132834748 223366315 /nfs/dbraw/zinc/36/63/15/223366315.db2.gz KWIONBWQNWCSNA-ROUUACIJSA-N 1 0 333.432 3.083 10 5 EGBERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092097099 218118549 /nfs/dbraw/zinc/11/85/49/218118549.db2.gz AEDPQXWTRXNXQP-HNNXBMFYSA-N 1 0 345.424 3.034 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338044893 141080753 /nfs/dbraw/zinc/08/07/53/141080753.db2.gz PWUURTVELDUMLX-HLLBOEOZSA-N 1 0 345.443 3.381 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CNCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341231264 141141737 /nfs/dbraw/zinc/14/17/37/141141737.db2.gz UZPVGCAHUNMTTG-GJZGRUSLSA-N 1 0 335.448 3.346 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000172603429 144023428 /nfs/dbraw/zinc/02/34/28/144023428.db2.gz INLQPMSPOOGADF-WDEREUQCSA-N 1 0 349.412 3.343 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183826534 144080368 /nfs/dbraw/zinc/08/03/68/144080368.db2.gz MKDJXUKTCGSSEJ-OAHLLOKOSA-N 1 0 326.400 3.263 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000341109708 155164744 /nfs/dbraw/zinc/16/47/44/155164744.db2.gz UYWORGNRWJCPHS-BETUJISGSA-N 1 0 346.431 3.154 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000120246894 152261801 /nfs/dbraw/zinc/26/18/01/152261801.db2.gz RXJGSEQKEGHYAG-UHFFFAOYSA-N 1 0 346.431 3.304 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccnc1 ZINC000341589196 155370219 /nfs/dbraw/zinc/37/02/19/155370219.db2.gz KFUBJBYLNNSSGK-STQMWFEESA-N 1 0 328.372 3.058 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000336875969 154226309 /nfs/dbraw/zinc/22/63/09/154226309.db2.gz OHAAPCKIEKYWBK-CVEARBPZSA-N 1 0 328.368 3.476 10 5 EGBERO COc1cc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000338955872 163405090 /nfs/dbraw/zinc/40/50/90/163405090.db2.gz YTFMNDNKZMVOQL-UHFFFAOYSA-N 1 0 329.400 3.290 10 5 EGBERO COc1ccccc1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352298584 165331264 /nfs/dbraw/zinc/33/12/64/165331264.db2.gz ZAOVLVRMJWNSHU-LLVKDONJSA-N 1 0 326.356 3.331 10 5 EGBERO C[C@@H](CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)OCc1ccccc1 ZINC000355274613 166151174 /nfs/dbraw/zinc/15/11/74/166151174.db2.gz FPWRCWNUAIPIST-HNNXBMFYSA-N 1 0 341.411 3.343 10 5 EGBERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355457904 166206262 /nfs/dbraw/zinc/20/62/62/166206262.db2.gz IVVJERQGSHPYMV-HNNXBMFYSA-N 1 0 347.459 3.010 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359554692 167190138 /nfs/dbraw/zinc/19/01/38/167190138.db2.gz JJQWPRJXOFATNB-UGSOOPFHSA-N 1 0 331.416 3.354 10 5 EGBERO COCC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000361309196 167587323 /nfs/dbraw/zinc/58/73/23/167587323.db2.gz NYBCXYLWGSUGMF-UHFFFAOYSA-N 1 0 334.416 3.255 10 5 EGBERO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@]2(CCOC2)O1 ZINC000366596999 287207430 /nfs/dbraw/zinc/20/74/30/287207430.db2.gz UAFUMCIIGOTQMO-LESCRADOSA-N 1 0 334.416 3.234 10 5 EGBERO COc1c(C)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000365989677 168067984 /nfs/dbraw/zinc/06/79/84/168067984.db2.gz FROJGYQGYZVZQL-UHFFFAOYSA-N 1 0 344.415 3.254 10 5 EGBERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178648177 265333310 /nfs/dbraw/zinc/33/33/10/265333310.db2.gz CLDWNURWSGEZRD-QAPCUYQASA-N 1 0 327.428 3.418 10 5 EGBERO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178648364 265333447 /nfs/dbraw/zinc/33/34/47/265333447.db2.gz CLDWNURWSGEZRD-CRAIPNDOSA-N 1 0 327.428 3.418 10 5 EGBERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635413 266332126 /nfs/dbraw/zinc/33/21/26/266332126.db2.gz HDMIFGWDPWDQCD-ROUUACIJSA-N 1 0 329.400 3.194 10 5 EGBERO O=C(CC[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278757283 275272119 /nfs/dbraw/zinc/27/21/19/275272119.db2.gz MKHXLDFWFSAHMB-LLVKDONJSA-N 1 0 345.321 3.198 10 5 EGBERO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC000282620341 275654315 /nfs/dbraw/zinc/65/43/15/275654315.db2.gz FMNHMBBMNVMENO-JTQLQIEISA-N 1 0 329.422 3.001 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000288776154 276251715 /nfs/dbraw/zinc/25/17/15/276251715.db2.gz BKNMLTUBEFCQIK-JSGCOSHPSA-N 1 0 347.415 3.052 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261916464 278559638 /nfs/dbraw/zinc/55/96/38/278559638.db2.gz UMFPEMCZEHUGMI-HNNXBMFYSA-N 1 0 333.432 3.092 10 5 EGBERO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C[NH3+])C1 ZINC000261700002 279708156 /nfs/dbraw/zinc/70/81/56/279708156.db2.gz FKWTZDGIHOFLMW-GWCFXTLKSA-N 1 0 333.413 3.009 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000295693216 308351232 /nfs/dbraw/zinc/35/12/32/308351232.db2.gz LXIIJJHFZNKLAI-CYBMUJFWSA-N 1 0 348.424 3.158 10 5 EGBERO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352849453 308885964 /nfs/dbraw/zinc/88/59/64/308885964.db2.gz PAKPXCOLHQGZHJ-NMCNPDOESA-N 1 0 346.452 3.431 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000415931462 309149530 /nfs/dbraw/zinc/14/95/30/309149530.db2.gz LZYSUCMIQFQJBS-UHFFFAOYSA-N 1 0 342.399 3.069 10 5 EGBERO COc1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422933996 309376788 /nfs/dbraw/zinc/37/67/88/309376788.db2.gz BXBDBYUKHLMOBY-MOPGFXCFSA-N 1 0 341.411 3.186 10 5 EGBERO Cc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000432922820 309673325 /nfs/dbraw/zinc/67/33/25/309673325.db2.gz BWOZDSHWFKYZIG-CQSZACIVSA-N 1 0 328.372 3.427 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000436289632 309751986 /nfs/dbraw/zinc/75/19/86/309751986.db2.gz YEGMGPBOVTWTOU-BMFZPTHFSA-N 1 0 334.416 3.237 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449543881 310070386 /nfs/dbraw/zinc/07/03/86/310070386.db2.gz UXIFAEAFRLFTBV-SJLPKXTDSA-N 1 0 327.384 3.308 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449665809 310079096 /nfs/dbraw/zinc/07/90/96/310079096.db2.gz DCTSXJGNGOYAAC-SQIFRAFTSA-N 1 0 344.333 3.243 10 5 EGBERO C[NH+](C)C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450250136 310111017 /nfs/dbraw/zinc/11/10/17/310111017.db2.gz HAYVGVRODOWQSM-UHFFFAOYSA-N 1 0 332.429 3.249 10 5 EGBERO CCCc1ncc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)o1 ZINC000450846701 310145560 /nfs/dbraw/zinc/14/55/60/310145560.db2.gz NKNSKCZKZNUKPD-UHFFFAOYSA-N 1 0 326.356 3.426 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)nc2c1 ZINC000451340541 310172845 /nfs/dbraw/zinc/17/28/45/310172845.db2.gz JORMSSRVXLMJLZ-FVQBIDKESA-N 1 0 345.399 3.252 10 5 EGBERO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000452107180 310212687 /nfs/dbraw/zinc/21/26/87/310212687.db2.gz RQRRHKRDLQGPPK-HNNXBMFYSA-N 1 0 336.432 3.234 10 5 EGBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+](C)C ZINC000540515201 314386567 /nfs/dbraw/zinc/38/65/67/314386567.db2.gz AZZBLQSKPDMBGG-UHFFFAOYSA-N 1 0 339.461 3.119 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCC(C[NH+](C)C)CC1 ZINC000553504199 315267412 /nfs/dbraw/zinc/26/74/12/315267412.db2.gz AKUNESXEFUJKFQ-UHFFFAOYSA-N 1 0 349.431 3.222 10 5 EGBERO C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2nccn21 ZINC000556455550 315436878 /nfs/dbraw/zinc/43/68/78/315436878.db2.gz WBBGDQWHAJDLBC-ZBEGNZNMSA-N 1 0 325.372 3.111 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1Br ZINC000230315403 456135833 /nfs/dbraw/zinc/13/58/33/456135833.db2.gz CHCRUDBZIAZZNP-GXTWGEPZSA-N 1 0 341.205 3.014 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH2+]C2CCCCC2)c1 ZINC000581272161 325347871 /nfs/dbraw/zinc/34/78/71/325347871.db2.gz PCZPKFDGTAXXRL-UHFFFAOYSA-N 1 0 335.404 3.106 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189598703 455222338 /nfs/dbraw/zinc/22/23/38/455222338.db2.gz GCVCODXIAQBCAU-DZGCQCFKSA-N 1 0 346.349 3.476 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000157830700 455237328 /nfs/dbraw/zinc/23/73/28/455237328.db2.gz MROSZXJNPMITJM-GFCCVEGCSA-N 1 0 339.823 3.098 10 5 EGBERO Cc1noc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180843064 455254287 /nfs/dbraw/zinc/25/42/87/455254287.db2.gz UILILZHZGVZANO-SFHVURJKSA-N 1 0 338.367 3.208 10 5 EGBERO COC(=O)c1ccc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC000600783781 460603563 /nfs/dbraw/zinc/60/35/63/460603563.db2.gz HKXTWHWETHMLFQ-CQSZACIVSA-N 1 0 340.379 3.200 10 5 EGBERO Cc1ccccc1C[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000066809464 453876126 /nfs/dbraw/zinc/87/61/26/453876126.db2.gz DXQGHKFMOBRZGZ-UHFFFAOYSA-N 1 0 326.400 3.375 10 5 EGBERO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000067249191 453914136 /nfs/dbraw/zinc/91/41/36/453914136.db2.gz DKZFTQFDIJCSAJ-UHFFFAOYSA-N 1 0 349.390 3.095 10 5 EGBERO CC(C)NC(=O)c1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000076776175 454035456 /nfs/dbraw/zinc/03/54/56/454035456.db2.gz BLWXGULTMKDAOY-CQSZACIVSA-N 1 0 348.447 3.019 10 5 EGBERO CCN(CC)C(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069681976 454132321 /nfs/dbraw/zinc/13/23/21/454132321.db2.gz SYJZXHMBMQLFIS-CQSZACIVSA-N 1 0 333.432 3.236 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000130440059 454197941 /nfs/dbraw/zinc/19/79/41/454197941.db2.gz VHLQCJUYXXLHRD-LLVKDONJSA-N 1 0 335.335 3.315 10 5 EGBERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000095456085 454214805 /nfs/dbraw/zinc/21/48/05/454214805.db2.gz FIQHEEIGFDXXNB-JTQLQIEISA-N 1 0 328.800 3.100 10 5 EGBERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000095456084 454215202 /nfs/dbraw/zinc/21/52/02/454215202.db2.gz FIQHEEIGFDXXNB-SNVBAGLBSA-N 1 0 328.800 3.100 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000119950425 454240559 /nfs/dbraw/zinc/24/05/59/454240559.db2.gz XHXJTLZMKIONIP-ZBFHGGJFSA-N 1 0 348.447 3.406 10 5 EGBERO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090070640 454272767 /nfs/dbraw/zinc/27/27/67/454272767.db2.gz BQZRFVARORNDHO-UHFFFAOYSA-N 1 0 326.400 3.187 10 5 EGBERO Cc1sc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000063829299 454452018 /nfs/dbraw/zinc/45/20/18/454452018.db2.gz ZTJBNJCPLSWSCN-UHFFFAOYSA-N 1 0 333.413 3.173 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246204393 455447363 /nfs/dbraw/zinc/44/73/63/455447363.db2.gz MAIWKBHHARITLU-ZFWWWQNUSA-N 1 0 333.432 3.075 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000106213336 454686145 /nfs/dbraw/zinc/68/61/45/454686145.db2.gz GGAWDELKUXZGQI-MRXNPFEDSA-N 1 0 344.415 3.070 10 5 EGBERO O=[N+]([O-])c1cccc(OCCN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000126155299 454874668 /nfs/dbraw/zinc/87/46/68/454874668.db2.gz IDZLEOSIVSHUPJ-MRXNPFEDSA-N 1 0 334.397 3.109 10 5 EGBERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000172841878 455195669 /nfs/dbraw/zinc/19/56/69/455195669.db2.gz XZZRPKDLEBAIBJ-ZDUSSCGKSA-N 1 0 344.415 3.023 10 5 EGBERO CCc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000173497789 455295116 /nfs/dbraw/zinc/29/51/16/455295116.db2.gz SLTQYSLWEKHTGI-SJORKVTESA-N 1 0 345.443 3.245 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000181530986 455349727 /nfs/dbraw/zinc/34/97/27/455349727.db2.gz NRIRXVLKENMADS-RRQGHBQHSA-N 1 0 333.432 3.330 10 5 EGBERO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000283867339 455605432 /nfs/dbraw/zinc/60/54/32/455605432.db2.gz DKYGDAXOZSBOQY-OALUTQOASA-N 1 0 325.412 3.172 10 5 EGBERO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000192789669 455693332 /nfs/dbraw/zinc/69/33/32/455693332.db2.gz TUOJRNPXEZTIEQ-HNNXBMFYSA-N 1 0 332.448 3.269 10 5 EGBERO CCn1cc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)cn1 ZINC000195500243 455968712 /nfs/dbraw/zinc/96/87/12/455968712.db2.gz XJTMKSGFAFVAIN-UHFFFAOYSA-N 1 0 344.415 3.199 10 5 EGBERO Cc1ccccc1C[N@@H+]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103868 460710928 /nfs/dbraw/zinc/71/09/28/460710928.db2.gz KOGOOCRHUYOJAM-UHFFFAOYSA-N 1 0 344.390 3.150 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000347703562 456316061 /nfs/dbraw/zinc/31/60/61/456316061.db2.gz KGCAAMGAPIOCHT-UHFFFAOYSA-N 1 0 345.374 3.329 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000337578641 456396291 /nfs/dbraw/zinc/39/62/91/456396291.db2.gz HOJCBICYIHUUAF-QGZVFWFLSA-N 1 0 348.424 3.239 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000353105671 456491987 /nfs/dbraw/zinc/49/19/87/456491987.db2.gz BOEJJJHLLUZRBP-GXSJLCMTSA-N 1 0 348.321 3.433 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000298715606 456523777 /nfs/dbraw/zinc/52/37/77/456523777.db2.gz BUZSRURGDKJMKC-HNNXBMFYSA-N 1 0 345.443 3.380 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cn[nH]c2)s1 ZINC000353235513 456577524 /nfs/dbraw/zinc/57/75/24/456577524.db2.gz ZEZBEIOSZJUOCV-UHFFFAOYSA-N 1 0 328.397 3.379 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000338186849 456692480 /nfs/dbraw/zinc/69/24/80/456692480.db2.gz TUGNKBDEUNUSIM-RUGDWHBFSA-N 1 0 348.443 3.365 10 5 EGBERO CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000340882137 456737560 /nfs/dbraw/zinc/73/75/60/456737560.db2.gz SFQVXSNLDRPRMA-KRWDZBQOSA-N 1 0 344.415 3.492 10 5 EGBERO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000300486529 456783707 /nfs/dbraw/zinc/78/37/07/456783707.db2.gz GTPPZMJLZMFQPW-CMPLNLGQSA-N 1 0 342.237 3.229 10 5 EGBERO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CC=CCC1 ZINC000344081425 456794879 /nfs/dbraw/zinc/79/48/79/456794879.db2.gz ZYIMFTIPTLDQSY-CQSZACIVSA-N 1 0 345.399 3.181 10 5 EGBERO Cn1cc([C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000342296299 457219722 /nfs/dbraw/zinc/21/97/22/457219722.db2.gz AQUWSVGATSKEDC-INIZCTEOSA-N 1 0 332.404 3.084 10 5 EGBERO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000347332496 457357374 /nfs/dbraw/zinc/35/73/74/457357374.db2.gz BYTVITYVEPENFS-PXAZEXFGSA-N 1 0 340.383 3.058 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360903644 457422825 /nfs/dbraw/zinc/42/28/25/457422825.db2.gz IESKNBBHAGJYIL-INIZCTEOSA-N 1 0 349.479 3.212 10 5 EGBERO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000397745572 457489558 /nfs/dbraw/zinc/48/95/58/457489558.db2.gz YPEDIEQFMRZZKH-KWQFWETISA-N 1 0 331.235 3.198 10 5 EGBERO COc1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000374182281 457511343 /nfs/dbraw/zinc/51/13/43/457511343.db2.gz HTAARPCBWHDEBI-OAHLLOKOSA-N 1 0 330.388 3.064 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374858366 457720972 /nfs/dbraw/zinc/72/09/72/457720972.db2.gz QLYJUPFYHRHKOR-FZKQIMNGSA-N 1 0 330.359 3.388 10 5 EGBERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426765658 457896283 /nfs/dbraw/zinc/89/62/83/457896283.db2.gz QYXZFCOXXLIUPA-RYUDHWBXSA-N 1 0 337.807 3.309 10 5 EGBERO O=C1CO[C@@H]2CC[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]2N1 ZINC000366766338 457898047 /nfs/dbraw/zinc/89/80/47/457898047.db2.gz FMQGLKUXRQAUNV-NHCUHLMSSA-N 1 0 346.430 3.082 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000361891624 457934590 /nfs/dbraw/zinc/93/45/90/457934590.db2.gz XRXIAEAFSVLUSO-ARFHVFGLSA-N 1 0 334.416 3.288 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1(C)CCCC1 ZINC000411686329 457949335 /nfs/dbraw/zinc/94/93/35/457949335.db2.gz KXNLERIMKICUSS-UHFFFAOYSA-N 1 0 335.404 3.197 10 5 EGBERO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000411893503 458004645 /nfs/dbraw/zinc/00/46/45/458004645.db2.gz NOIDPMSEHRPOAL-QAPCUYQASA-N 1 0 328.368 3.005 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000430219688 458423260 /nfs/dbraw/zinc/42/32/60/458423260.db2.gz OYPTYSSPZQRBPK-CYBMUJFWSA-N 1 0 330.384 3.372 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](N[C@H]2C[NH2+]CCC2(F)F)c2ccccc2)c1 ZINC000423480178 458439342 /nfs/dbraw/zinc/43/93/42/458439342.db2.gz NCPVLRVIFJHDPW-IRXDYDNUSA-N 1 0 347.365 3.271 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(C4CCC4)CCC3)n2)cc1 ZINC000459752400 458468124 /nfs/dbraw/zinc/46/81/24/458468124.db2.gz BRXIGQXEWRXQPJ-UHFFFAOYSA-N 1 0 328.372 3.457 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000438957666 458634036 /nfs/dbraw/zinc/63/40/36/458634036.db2.gz KCCLJCOXDCAALS-RYUDHWBXSA-N 1 0 339.823 3.111 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000438957665 458634200 /nfs/dbraw/zinc/63/42/00/458634200.db2.gz KCCLJCOXDCAALS-NWDGAFQWSA-N 1 0 339.823 3.111 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000495261510 458822444 /nfs/dbraw/zinc/82/24/44/458822444.db2.gz YMHYBPQNLCFZNV-RDTXWAMCSA-N 1 0 336.432 3.365 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508143 459068458 /nfs/dbraw/zinc/06/84/58/459068458.db2.gz BEBGGYJHGCCEIB-LVQVYYBASA-N 1 0 335.448 3.052 10 5 EGBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594522069 459078732 /nfs/dbraw/zinc/07/87/32/459078732.db2.gz XSBVBTWOZZZJHJ-COXVUDFISA-N 1 0 349.431 3.249 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000590567934 459151523 /nfs/dbraw/zinc/15/15/23/459151523.db2.gz PODSCVVAXVASEA-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000594920362 459176387 /nfs/dbraw/zinc/17/63/87/459176387.db2.gz FDBJTFXQULLZLA-UHFFFAOYSA-N 1 0 329.404 3.024 10 5 EGBERO COC[C@@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595024678 459220117 /nfs/dbraw/zinc/22/01/17/459220117.db2.gz CIEYQARNAWECLT-WMLDXEAASA-N 1 0 336.432 3.386 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595078331 459238905 /nfs/dbraw/zinc/23/89/05/459238905.db2.gz URHSXXBRDNABMH-WVZRYYJFSA-N 1 0 331.416 3.338 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595076773 459238921 /nfs/dbraw/zinc/23/89/21/459238921.db2.gz JOPQJQQTCZJSPA-WVZRYYJFSA-N 1 0 331.416 3.338 10 5 EGBERO Cc1c(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595229744 459259580 /nfs/dbraw/zinc/25/95/80/459259580.db2.gz DRGUGZMODSXCGA-OAHLLOKOSA-N 1 0 346.431 3.147 10 5 EGBERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000522886814 459269783 /nfs/dbraw/zinc/26/97/83/459269783.db2.gz OHRPXVYASOFJGF-ZDUSSCGKSA-N 1 0 339.461 3.349 10 5 EGBERO COc1ccc(OCC[NH+]2CCC(c3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000595618404 459370508 /nfs/dbraw/zinc/37/05/08/459370508.db2.gz OZOFHNLTSGXGGT-UHFFFAOYSA-N 1 0 346.383 3.455 10 5 EGBERO O=[N+]([O-])c1cccc2c1CCN([C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000560729648 459392416 /nfs/dbraw/zinc/39/24/16/459392416.db2.gz KOGFYKKPOQMMKD-GOSISDBHSA-N 1 0 337.423 3.227 10 5 EGBERO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595705212 459406335 /nfs/dbraw/zinc/40/63/35/459406335.db2.gz DWOFUQWWGHPMIK-VEVIJQCQSA-N 1 0 339.395 3.240 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000595786239 459439643 /nfs/dbraw/zinc/43/96/43/459439643.db2.gz HAQRUAUTVDWFES-RDJZCZTQSA-N 1 0 334.416 3.385 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)C2CCC(F)CC2)c1 ZINC000595822409 459453504 /nfs/dbraw/zinc/45/35/04/459453504.db2.gz SZLSAZZQZTUKOE-BZUNDVKYSA-N 1 0 338.379 3.388 10 5 EGBERO Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596168921 459545433 /nfs/dbraw/zinc/54/54/33/459545433.db2.gz TXMLINGJLIJDNX-CQSZACIVSA-N 1 0 339.461 3.046 10 5 EGBERO C[C@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000596200619 459558757 /nfs/dbraw/zinc/55/87/57/459558757.db2.gz NHLAONWXEDAAEG-GOSISDBHSA-N 1 0 342.399 3.162 10 5 EGBERO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392240 459588373 /nfs/dbraw/zinc/58/83/73/459588373.db2.gz KBZMGYGNNZMZNO-ABAIWWIYSA-N 1 0 338.358 3.299 10 5 EGBERO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392426 459588854 /nfs/dbraw/zinc/58/88/54/459588854.db2.gz UAUHXLOSLFCMFH-QWRGUYRKSA-N 1 0 329.347 3.193 10 5 EGBERO CCOC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307623 459591102 /nfs/dbraw/zinc/59/11/02/459591102.db2.gz NMKBVPLMLCLQEF-ZDUSSCGKSA-N 1 0 335.404 3.056 10 5 EGBERO COCC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583835353 459604887 /nfs/dbraw/zinc/60/48/87/459604887.db2.gz AULZLSJGKOEQDK-DYVFJYSZSA-N 1 0 331.416 3.413 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000593065104 459762439 /nfs/dbraw/zinc/76/24/39/459762439.db2.gz SPDQDTLLQJIVDN-KDOFPFPSSA-N 1 0 348.374 3.215 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593080043 459767106 /nfs/dbraw/zinc/76/71/06/459767106.db2.gz CRMWITNHWSSDQV-OAHLLOKOSA-N 1 0 332.379 3.028 10 5 EGBERO COc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000597220486 459882444 /nfs/dbraw/zinc/88/24/44/459882444.db2.gz KKKJQRSMMRBOEA-CDMJZVDBSA-N 1 0 342.342 3.135 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)cs2)c1 ZINC000597231244 459884765 /nfs/dbraw/zinc/88/47/65/459884765.db2.gz OXPPGRBZSDROSC-UONOGXRCSA-N 1 0 345.424 3.187 10 5 EGBERO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c2ccncc21 ZINC000608909465 459893898 /nfs/dbraw/zinc/89/38/98/459893898.db2.gz RAVNXBMJNDVQCC-UHFFFAOYSA-N 1 0 332.323 3.467 10 5 EGBERO CC1(C)Cc2n[nH]cc2CN(CC=Cc2ccccc2[N+](=O)[O-])C1 ZINC000597258995 459898530 /nfs/dbraw/zinc/89/85/30/459898530.db2.gz VGDDLLXJIPLALZ-FNORWQNLSA-N 1 0 326.400 3.416 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598465600 459903900 /nfs/dbraw/zinc/90/39/00/459903900.db2.gz GNHWYQJNTUBEMX-UHFFFAOYSA-N 1 0 333.388 3.191 10 5 EGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCc1c(F)cccc1F)CC2 ZINC000593971061 460033654 /nfs/dbraw/zinc/03/36/54/460033654.db2.gz SQAQWCJQCFFPIM-UHFFFAOYSA-N 1 0 333.338 3.259 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610064383 460057466 /nfs/dbraw/zinc/05/74/66/460057466.db2.gz GFANKFXHNVYWJB-HUUCEWRRSA-N 1 0 347.459 3.252 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cs2)c1 ZINC000599007654 460125911 /nfs/dbraw/zinc/12/59/11/460125911.db2.gz RXYJQIJUMWMYLT-XJKSGUPXSA-N 1 0 345.424 3.375 10 5 EGBERO CN(CCCNc1ccc2cnccc2c1[N+](=O)[O-])CC(F)(F)F ZINC000599019888 460128439 /nfs/dbraw/zinc/12/84/39/460128439.db2.gz NYGSMOHPMZDASQ-UHFFFAOYSA-N 1 0 342.321 3.439 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073662 460152123 /nfs/dbraw/zinc/15/21/23/460152123.db2.gz GQKYFKKERHTZFJ-QZTJIDSGSA-N 1 0 339.395 3.462 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075061 460152418 /nfs/dbraw/zinc/15/24/18/460152418.db2.gz RVMUCNZWSGYBGO-ACJLOTCBSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599079038 460154074 /nfs/dbraw/zinc/15/40/74/460154074.db2.gz ANRAADUPRRAWHQ-DZGCQCFKSA-N 1 0 326.400 3.206 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000599568613 460276472 /nfs/dbraw/zinc/27/64/72/460276472.db2.gz GRJVZFKPZQWFST-SFHVURJKSA-N 1 0 327.384 3.500 10 5 EGBERO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599621369 460289033 /nfs/dbraw/zinc/28/90/33/460289033.db2.gz KRLMSQMKHKJXDZ-OAHLLOKOSA-N 1 0 332.379 3.199 10 5 EGBERO C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689238 460312505 /nfs/dbraw/zinc/31/25/05/460312505.db2.gz HWJBWUKZARIMGU-JIYQYTEPSA-N 1 0 334.416 3.013 10 5 EGBERO Cc1c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599702244 460316129 /nfs/dbraw/zinc/31/61/29/460316129.db2.gz PKRLHNBIXIDITI-CQSZACIVSA-N 1 0 332.404 3.042 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(F)F ZINC000601299898 460780840 /nfs/dbraw/zinc/78/08/40/460780840.db2.gz VKOHPAWSKHFWMZ-PWSUYJOCSA-N 1 0 334.388 3.071 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601559588 460832177 /nfs/dbraw/zinc/83/21/77/460832177.db2.gz UYCJUCJNKQPPQA-HOCLYGCPSA-N 1 0 345.443 3.106 10 5 EGBERO COc1ccc(CN2CC[C@@H](C[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000601963087 460963603 /nfs/dbraw/zinc/96/36/03/460963603.db2.gz JXRRMPPIYUAVCZ-AWEZNQCLSA-N 1 0 327.384 3.056 10 5 EGBERO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129387758 534030679 /nfs/dbraw/zinc/03/06/79/534030679.db2.gz CIUHOVIOGRUQBH-QAPCUYQASA-N 1 0 344.415 3.143 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191410792 529304365 /nfs/dbraw/zinc/30/43/65/529304365.db2.gz PSYQVRNUVUQCKV-LSDHHAIUSA-N 1 0 346.431 3.302 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000175005439 529304879 /nfs/dbraw/zinc/30/48/79/529304879.db2.gz MAMFJYYIYRUZCN-QWHCGFSZSA-N 1 0 349.456 3.016 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000741747633 576716387 /nfs/dbraw/zinc/71/63/87/576716387.db2.gz WESFDAYEJLOYHG-AWEZNQCLSA-N 1 0 345.374 3.429 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000870270058 1295777551 /nfs/dbraw/zinc/77/75/51/1295777551.db2.gz ZNHQMFRIBIPNIA-UHFFFAOYSA-N 1 0 349.406 3.215 10 5 EGBERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053653 1296703717 /nfs/dbraw/zinc/70/37/17/1296703717.db2.gz WIAVXDVCTRRVTD-MKBNYLNASA-N 1 0 340.420 3.439 10 5 EGBERO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872064174 1296710710 /nfs/dbraw/zinc/71/07/10/1296710710.db2.gz CVEOTOCHLAAOPU-UKRRQHHQSA-N 1 0 332.375 3.297 10 5 EGBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000872073581 1296719503 /nfs/dbraw/zinc/71/95/03/1296719503.db2.gz SAJOPLHTAZHJPK-ZIEJDFEHSA-N 1 0 349.406 3.032 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000872110376 1296736878 /nfs/dbraw/zinc/73/68/78/1296736878.db2.gz YCGDDEJXGDJSJT-JVPBZIDWSA-N 1 0 345.443 3.111 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000872110375 1296737034 /nfs/dbraw/zinc/73/70/34/1296737034.db2.gz YCGDDEJXGDJSJT-CCKFTAQKSA-N 1 0 345.443 3.111 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886617557 1303525218 /nfs/dbraw/zinc/52/52/18/1303525218.db2.gz RTBZVSIRDUEZFV-QEJZJMRPSA-N 1 0 344.333 3.293 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000886678303 1303554651 /nfs/dbraw/zinc/55/46/51/1303554651.db2.gz AYBXREPDNWNVLH-KBXCAEBGSA-N 1 0 346.402 3.248 10 5 EGBERO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccns1 ZINC000858577487 1328797702 /nfs/dbraw/zinc/79/77/02/1328797702.db2.gz QKBGVAVKRXOUJX-GFCCVEGCSA-N 1 0 332.429 3.371 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393563 1319024978 /nfs/dbraw/zinc/02/49/78/1319024978.db2.gz SERSRHPOIJVGDU-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930353054 1328840306 /nfs/dbraw/zinc/84/03/06/1328840306.db2.gz FMGAWARORHBYOC-KGLIPLIRSA-N 1 0 332.322 3.179 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000859564869 1329018888 /nfs/dbraw/zinc/01/88/88/1329018888.db2.gz QICNAADZFWRZEE-ZWKOTPCHSA-N 1 0 327.384 3.154 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000922612931 1322571261 /nfs/dbraw/zinc/57/12/61/1322571261.db2.gz SGWWHKSKTUFBIH-IKFRKZOMSA-N 1 0 334.416 3.172 10 5 EGBERO Cc1c(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922691993 1322592230 /nfs/dbraw/zinc/59/22/30/1322592230.db2.gz OTDKMCSHGYUUFV-OCCSQVGLSA-N 1 0 332.322 3.493 10 5 EGBERO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1CC1CCC1 ZINC000924953357 1323227148 /nfs/dbraw/zinc/22/71/48/1323227148.db2.gz BKKWSTVFPRIPAB-AWEZNQCLSA-N 1 0 328.416 3.485 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859900596 1329108364 /nfs/dbraw/zinc/10/83/64/1329108364.db2.gz CYQJTXYKVGJNJY-GJZGRUSLSA-N 1 0 341.411 3.351 10 5 EGBERO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnn1CC1CCC1 ZINC000925153207 1325067676 /nfs/dbraw/zinc/06/76/76/1325067676.db2.gz KPLKUWCUKBAEQK-CQSZACIVSA-N 1 0 328.416 3.485 10 5 EGBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccnn1CC1CCC1 ZINC000925381950 1325136678 /nfs/dbraw/zinc/13/66/78/1325136678.db2.gz GDMNDVIFGSJQSI-AWEZNQCLSA-N 1 0 344.415 3.321 10 5 EGBERO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861952001 1329452722 /nfs/dbraw/zinc/45/27/22/1329452722.db2.gz AYAVXBHMIZGBAT-CQSZACIVSA-N 1 0 341.411 3.210 10 5 EGBERO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)(c2ccccc2)CC1 ZINC000866016730 1329759262 /nfs/dbraw/zinc/75/92/62/1329759262.db2.gz UGAGZAIHTPAQLE-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866209730 1330078948 /nfs/dbraw/zinc/07/89/48/1330078948.db2.gz VLPHAIOLZQKIFE-ZWNOBZJWSA-N 1 0 329.322 3.144 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000866707788 1330143644 /nfs/dbraw/zinc/14/36/44/1330143644.db2.gz WLIHBPAKGKEXJA-MRXNPFEDSA-N 1 0 325.840 3.445 10 5 EGBERO CC(C)(C)c1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC001323485169 1387375670 /nfs/dbraw/zinc/37/56/70/1387375670.db2.gz DAWHGRZLUMYWGS-UHFFFAOYSA-N 1 0 328.416 3.147 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC001184740803 1387524678 /nfs/dbraw/zinc/52/46/78/1387524678.db2.gz WEXXTHROJRCSCY-OAHLLOKOSA-N 1 0 337.468 3.432 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001196293139 1368585122 /nfs/dbraw/zinc/58/51/22/1368585122.db2.gz HUEPZEGMHQQHBH-GOSISDBHSA-N 1 0 328.368 3.127 10 5 EGBERO CCc1ccc(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001196906712 1368712148 /nfs/dbraw/zinc/71/21/48/1368712148.db2.gz DSZIBCPKPPQDLD-IBGZPJMESA-N 1 0 328.412 3.197 10 5 EGBERO CC1CC[NH+](CC[C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])CC1 ZINC001196944387 1368718727 /nfs/dbraw/zinc/71/87/27/1368718727.db2.gz WCAWKPXUSDVCBY-QGZVFWFLSA-N 1 0 332.448 3.076 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CCC1 ZINC001268466555 1377509800 /nfs/dbraw/zinc/50/98/00/1377509800.db2.gz LBRKTHHQVVTRBC-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001142240149 1378424751 /nfs/dbraw/zinc/42/47/51/1378424751.db2.gz PSAZVVVEYOEOMJ-AWEZNQCLSA-N 1 0 347.459 3.398 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CCC1 ZINC001282312751 1378495870 /nfs/dbraw/zinc/49/58/70/1378495870.db2.gz HGPVUYQPQSPZPS-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001151125363 1379663848 /nfs/dbraw/zinc/66/38/48/1379663848.db2.gz NQKXSWDTKFPOFQ-HLLBOEOZSA-N 1 0 333.432 3.283 10 5 EGBERO CC[N@@H+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001162832956 1382890188 /nfs/dbraw/zinc/89/01/88/1382890188.db2.gz LRVLKIPZKNIDDQ-NSHDSACASA-N 1 0 334.807 3.327 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001163990315 1383143700 /nfs/dbraw/zinc/14/37/00/1383143700.db2.gz UPRFXADDUWXBIY-CQSZACIVSA-N 1 0 331.803 3.269 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001306942552 1383923696 /nfs/dbraw/zinc/92/36/96/1383923696.db2.gz UXIGDPOUNSOTDP-MJBXVCDLSA-N 1 0 349.431 3.160 10 5 EGBERO O=[N+]([O-])c1c(Nc2cnn(-c3cc[nH+]cc3)c2)ccc2cnccc21 ZINC001306957521 1383925844 /nfs/dbraw/zinc/92/58/44/1383925844.db2.gz ZNHIWSPIFYUQDW-UHFFFAOYSA-N 1 0 332.323 3.467 10 5 EGBERO C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001308070112 1384086634 /nfs/dbraw/zinc/08/66/34/1384086634.db2.gz IMUACUWCHMARRC-CQSZACIVSA-N 1 0 333.432 3.332 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C12CCCC2 ZINC001170103743 1384236176 /nfs/dbraw/zinc/23/61/76/1384236176.db2.gz AQRGWQUASJINHN-IAGOWNOFSA-N 1 0 334.416 3.431 10 5 EGBERO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313698 1384339418 /nfs/dbraw/zinc/33/94/18/1384339418.db2.gz WXKZYEWNLCYTFB-XYPHTWIQSA-N 1 0 348.447 3.028 10 5 EGBERO CC[N@H+](CCNC(=O)c1sccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317474172 1385169912 /nfs/dbraw/zinc/16/99/12/1385169912.db2.gz FGGZLXLFSCXULC-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317490927 1385191267 /nfs/dbraw/zinc/19/12/67/1385191267.db2.gz MDZCPYLFDUEQOB-JCNLHEQBSA-N 1 0 347.459 3.359 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)c1 ZINC001176793230 1385701796 /nfs/dbraw/zinc/70/17/96/1385701796.db2.gz QNPWNTKFMLMWSR-UHFFFAOYSA-N 1 0 339.399 3.152 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001330699946 1389502660 /nfs/dbraw/zinc/50/26/60/1389502660.db2.gz HWRSJUVJBKMZNL-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)=C1CCCC1 ZINC001698986031 1406769257 /nfs/dbraw/zinc/76/92/57/1406769257.db2.gz RKLPYCMHJYPBIH-UHFFFAOYSA-N 1 0 349.406 3.283 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(CC)CCC1 ZINC001699198666 1412568800 /nfs/dbraw/zinc/56/88/00/1412568800.db2.gz OSEVKMNTFNKADO-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO CC1(C)CC(CC(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001699663711 1413048917 /nfs/dbraw/zinc/04/89/17/1413048917.db2.gz UOESHTKOJCDNOL-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO CC(C)=CC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001699764760 1413169863 /nfs/dbraw/zinc/16/98/63/1413169863.db2.gz KHFRUGYLMLVSII-UHFFFAOYSA-N 1 0 331.416 3.032 10 5 EGBERO O=C(CC1CC1)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001700509216 1414157224 /nfs/dbraw/zinc/15/72/24/1414157224.db2.gz FMCMJTUXZQKYQI-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC(C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001713201710 1417771791 /nfs/dbraw/zinc/77/17/91/1417771791.db2.gz CWCAFAFHWBPLHV-IYBDPMFKSA-N 1 0 333.432 3.158 10 5 EGBERO C=Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001713468662 1418133893 /nfs/dbraw/zinc/13/38/93/1418133893.db2.gz HUPMBPKMONMXPL-UHFFFAOYSA-N 1 0 339.395 3.100 10 5 EGBERO CC(C)=CC(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001713685845 1418439228 /nfs/dbraw/zinc/43/92/28/1418439228.db2.gz WPEUZPOODOUTHM-UHFFFAOYSA-N 1 0 333.432 3.278 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CCC1 ZINC001723084353 1424298300 /nfs/dbraw/zinc/29/83/00/1424298300.db2.gz BLPAEEBPGFAKPH-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001731450254 1427427638 /nfs/dbraw/zinc/42/76/38/1427427638.db2.gz GUKWPXLCEYBQPC-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CC/C=C(\C)C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001731872730 1428132612 /nfs/dbraw/zinc/13/26/12/1428132612.db2.gz UYXXRUUGFGCMOS-LHHJGKSTSA-N 1 0 331.416 3.032 10 5 EGBERO CC[C@H]([NH2+]CC(=O)Nc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000181551403 529588414 /nfs/dbraw/zinc/58/84/14/529588414.db2.gz UMXBLHDUUKZVNC-KRWDZBQOSA-N 1 0 343.383 3.283 10 5 EGBERO COc1ccc([C@H](O)C[NH2+][C@@H](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077311801 216869748 /nfs/dbraw/zinc/86/97/48/216869748.db2.gz DVUFPRMEKXKECP-IFXJQAMLSA-N 1 0 344.411 3.248 10 5 in-vitro EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)cc1 ZINC000377345793 169013259 /nfs/dbraw/zinc/01/32/59/169013259.db2.gz MTYJPWMFVFLFRL-ROUUACIJSA-N 1 0 347.365 3.408 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1N(C)C ZINC000344823124 533384945 /nfs/dbraw/zinc/38/49/45/533384945.db2.gz LBUXALQCMKPCRT-UVTDQMKNSA-N 1 0 326.400 3.249 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000348176342 141245508 /nfs/dbraw/zinc/24/55/08/141245508.db2.gz UPBMHIDMKNTIPY-UHFFFAOYSA-N 1 0 336.395 3.438 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000172169026 144016128 /nfs/dbraw/zinc/01/61/28/144016128.db2.gz GNKCNCVTMPWHAG-NEPJUHHUSA-N 1 0 335.404 3.099 10 5 EGBERO C[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117336958 152094250 /nfs/dbraw/zinc/09/42/50/152094250.db2.gz GXUJNPYKSFUQJC-ZDUSSCGKSA-N 1 0 333.388 3.015 10 5 EGBERO O=C(C[N@@H+]1CCC2(C1)CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303912629 154058707 /nfs/dbraw/zinc/05/87/07/154058707.db2.gz NCLLZZOVBQFOCE-UHFFFAOYSA-N 1 0 343.427 3.140 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348860332 156264341 /nfs/dbraw/zinc/26/43/41/156264341.db2.gz ALHWYZMKKQCDAQ-SNVBAGLBSA-N 1 0 347.337 3.074 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000372797417 157386352 /nfs/dbraw/zinc/38/63/52/157386352.db2.gz DFPQEZZMMLFAEQ-KRWDZBQOSA-N 1 0 341.411 3.453 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249158616 163059869 /nfs/dbraw/zinc/05/98/69/163059869.db2.gz ZHUYODJNWHLABM-HIFRSBDPSA-N 1 0 334.420 3.062 10 5 EGBERO COC(=O)c1cc(F)ccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338348029 163218631 /nfs/dbraw/zinc/21/86/31/163218631.db2.gz CCUFJSSBRDQLJD-UHFFFAOYSA-N 1 0 346.358 3.195 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000342282087 163834875 /nfs/dbraw/zinc/83/48/75/163834875.db2.gz NROMNMHKTCLSFM-NWDGAFQWSA-N 1 0 334.372 3.376 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344033826 164087414 /nfs/dbraw/zinc/08/74/14/164087414.db2.gz FWEWYJQFRQZFRC-KBPBESRZSA-N 1 0 347.415 3.219 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346084232 164333374 /nfs/dbraw/zinc/33/33/74/164333374.db2.gz JYFYSCFLNBSKLD-VXGBXAGGSA-N 1 0 339.823 3.241 10 5 EGBERO Cc1sc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000351660385 165120975 /nfs/dbraw/zinc/12/09/75/165120975.db2.gz YRKLDQVGSMEKAH-IJLUTSLNSA-N 1 0 339.461 3.061 10 5 EGBERO COc1cc(CN2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000351923444 165152103 /nfs/dbraw/zinc/15/21/03/165152103.db2.gz WDUFWWSCYVOOPP-UHFFFAOYSA-N 1 0 347.459 3.300 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000359084926 167062608 /nfs/dbraw/zinc/06/26/08/167062608.db2.gz RLCVDAUAVDRUKC-HNNXBMFYSA-N 1 0 332.379 3.461 10 5 EGBERO Cc1c(C[NH2+]Cc2cc(-n3ccnc3)cs2)cccc1[N+](=O)[O-] ZINC000359802065 167236258 /nfs/dbraw/zinc/23/62/58/167236258.db2.gz OMSOCQJUYHGJJD-UHFFFAOYSA-N 1 0 328.397 3.440 10 5 EGBERO CC[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175630896 265125725 /nfs/dbraw/zinc/12/57/25/265125725.db2.gz QDFMUBLPRXRSHC-QGZVFWFLSA-N 1 0 348.447 3.221 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000179396264 265374403 /nfs/dbraw/zinc/37/44/03/265374403.db2.gz FUCHVDRRYMPRMN-GFCCVEGCSA-N 1 0 346.431 3.237 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273320027 267019770 /nfs/dbraw/zinc/01/97/70/267019770.db2.gz WJUKVSCXSQIIDG-SZGUKTLCSA-N 1 0 345.443 3.187 10 5 EGBERO Cc1csc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000275160181 267325546 /nfs/dbraw/zinc/32/55/46/267325546.db2.gz IRDDIRGBHLHWFL-CQSZACIVSA-N 1 0 333.413 3.062 10 5 EGBERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000249271928 290392447 /nfs/dbraw/zinc/39/24/47/290392447.db2.gz JOEVZRCQLMILMR-LSDHHAIUSA-N 1 0 332.448 3.268 10 5 EGBERO COc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000351393725 294994096 /nfs/dbraw/zinc/99/40/96/294994096.db2.gz FEJYRNFIRCFNTB-ZDUSSCGKSA-N 1 0 337.395 3.197 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000293698662 308153756 /nfs/dbraw/zinc/15/37/56/308153756.db2.gz RHQSYTPVJVJEJB-KRWDZBQOSA-N 1 0 329.400 3.148 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)C(F)F ZINC000295028600 308283184 /nfs/dbraw/zinc/28/31/84/308283184.db2.gz LKQMYDCEYIBQGZ-DZGCQCFKSA-N 1 0 340.326 3.349 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)C(F)F ZINC000295028602 308283392 /nfs/dbraw/zinc/28/33/92/308283392.db2.gz LKQMYDCEYIBQGZ-HIFRSBDPSA-N 1 0 340.326 3.349 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](O)C(F)F ZINC000295097387 308290739 /nfs/dbraw/zinc/29/07/39/308290739.db2.gz SFTDRHSXKLMMGE-DZGCQCFKSA-N 1 0 340.326 3.349 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415687076 309141098 /nfs/dbraw/zinc/14/10/98/309141098.db2.gz ARBYJRNKGMLZEJ-OCCSQVGLSA-N 1 0 346.431 3.251 10 5 EGBERO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415702784 309141331 /nfs/dbraw/zinc/14/13/31/309141331.db2.gz PUKSXZKFHHDMLW-SMDDNHRTSA-N 1 0 334.420 3.093 10 5 EGBERO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000418142210 309237473 /nfs/dbraw/zinc/23/74/73/309237473.db2.gz MHZDVHDUQYYVHP-MRXNPFEDSA-N 1 0 327.384 3.342 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000421366695 309320751 /nfs/dbraw/zinc/32/07/51/309320751.db2.gz DDFJMXCNBZRULD-STQMWFEESA-N 1 0 346.383 3.209 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000423182805 309389490 /nfs/dbraw/zinc/38/94/90/309389490.db2.gz FNMDIRIGNAQKQO-HNNXBMFYSA-N 1 0 328.416 3.129 10 5 EGBERO COc1cc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000429121881 309571247 /nfs/dbraw/zinc/57/12/47/309571247.db2.gz IIMSGEBBOZTUBK-PIGZYNQJSA-N 1 0 348.424 3.457 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000433065773 309677403 /nfs/dbraw/zinc/67/74/03/309677403.db2.gz DWEDZKOFEQUDTC-SEEARECTSA-N 1 0 347.415 3.100 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOc1ncccc1F)CCC2 ZINC000447583905 309983115 /nfs/dbraw/zinc/98/31/15/309983115.db2.gz DBBFDMRINOVTGT-INIZCTEOSA-N 1 0 331.347 3.175 10 5 EGBERO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000449445037 310062472 /nfs/dbraw/zinc/06/24/72/310062472.db2.gz FSOQZYRFLRWJCE-QMMMGPOBSA-N 1 0 346.168 3.088 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CF)CCOCC2)o1 ZINC000449445723 310062473 /nfs/dbraw/zinc/06/24/73/310062473.db2.gz LMGVJDMXBKVPDQ-UHFFFAOYSA-N 1 0 334.347 3.463 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449533953 310069874 /nfs/dbraw/zinc/06/98/74/310069874.db2.gz GBOUJCVRDNLQQQ-YJBOKZPZSA-N 1 0 343.383 3.008 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC ZINC000453410981 310275708 /nfs/dbraw/zinc/27/57/08/310275708.db2.gz RUCPSTUEIPMPPY-AAEUAGOBSA-N 1 0 347.440 3.499 10 5 EGBERO O=[N+]([O-])c1cccnc1N1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000459506014 310557065 /nfs/dbraw/zinc/55/70/65/310557065.db2.gz JIIJJRBWLHXZJV-RUDMXATFSA-N 1 0 338.411 3.215 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(C3)CCOCC4)o2)cc1 ZINC000459628937 310565067 /nfs/dbraw/zinc/56/50/67/310565067.db2.gz ZENODIZVHFQCCX-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000475160834 310807958 /nfs/dbraw/zinc/80/79/58/310807958.db2.gz ZCSBKBQUNQWYKO-SZMVWBNQSA-N 1 0 336.432 3.139 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](C2CCCC2)CC1 ZINC000487915579 311042816 /nfs/dbraw/zinc/04/28/16/311042816.db2.gz LLVVIXZGVCOVFD-UHFFFAOYSA-N 1 0 326.400 3.208 10 5 EGBERO CCOc1cc(C[NH2+][C@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000492898581 311304287 /nfs/dbraw/zinc/30/42/87/311304287.db2.gz YXGJDRGUSTUAND-CYBMUJFWSA-N 1 0 336.413 3.187 10 5 EGBERO C[N@@H+]1CCC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CC[C@H]21 ZINC000516230665 312315730 /nfs/dbraw/zinc/31/57/30/312315730.db2.gz FKHMYPUSTBCBEE-CZUORRHYSA-N 1 0 326.400 3.064 10 5 EGBERO CCc1cc(N(C)CCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000540495207 314384353 /nfs/dbraw/zinc/38/43/53/314384353.db2.gz RDBSELQGMHTWMB-UHFFFAOYSA-N 1 0 343.431 3.002 10 5 EGBERO CC[N@H+](CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC1CC1 ZINC000552735663 315230635 /nfs/dbraw/zinc/23/06/35/315230635.db2.gz FBDLHWQMMBOCFV-UHFFFAOYSA-N 1 0 332.448 3.328 10 5 EGBERO CCC[N@H+](C)C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000570838378 317115207 /nfs/dbraw/zinc/11/52/07/317115207.db2.gz SAITVCLPTOVGSW-AWEZNQCLSA-N 1 0 332.448 3.037 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280814521 456057951 /nfs/dbraw/zinc/05/79/51/456057951.db2.gz UPEXXWTZTLNMDC-PWSUYJOCSA-N 1 0 326.780 3.070 10 5 EGBERO Cc1cc(NCC[NH+]2CCCC2)c(Br)cc1[N+](=O)[O-] ZINC000235879696 456154560 /nfs/dbraw/zinc/15/45/60/456154560.db2.gz GOXPCWNMAWIPRO-UHFFFAOYSA-N 1 0 328.210 3.173 10 5 EGBERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817269 323506402 /nfs/dbraw/zinc/50/64/02/323506402.db2.gz BOKIFDVNYLISQD-NVXWUHKLSA-N 1 0 344.411 3.302 10 5 EGBERO Cc1noc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180843086 455254615 /nfs/dbraw/zinc/25/46/15/455254615.db2.gz UILILZHZGVZANO-GOSISDBHSA-N 1 0 338.367 3.208 10 5 EGBERO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000612194016 460563980 /nfs/dbraw/zinc/56/39/80/460563980.db2.gz GRCQQRNPQKGWLW-INIZCTEOSA-N 1 0 342.395 3.259 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CC[NH2+]C34CCC4)o2)c1 ZINC000600679475 460566430 /nfs/dbraw/zinc/56/64/30/460566430.db2.gz XGWRPEDOZYLAKK-KRWDZBQOSA-N 1 0 327.384 3.229 10 5 EGBERO C[N+]1(C)CCC[C@H]1COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000001999363 452683682 /nfs/dbraw/zinc/68/36/82/452683682.db2.gz KASKRXOORXMTTP-FPOVZHCZSA-N 1 0 346.491 3.237 10 5 in-man EGBERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000600771451 460596916 /nfs/dbraw/zinc/59/69/16/460596916.db2.gz GARRCOCXQAPGJX-KDURUIRLSA-N 1 0 341.411 3.286 10 5 EGBERO CC[C@H]1Cc2c(cccc2-c2cc([N+](=O)[O-])ccc2CCO)C[NH2+]1 ZINC000600793423 460607694 /nfs/dbraw/zinc/60/76/94/460607694.db2.gz OOMPUFZQFHGYPR-HNNXBMFYSA-N 1 0 326.396 3.221 10 5 EGBERO COC(=O)c1cc(-c2cc(C)cc3c2C[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000600845016 460619489 /nfs/dbraw/zinc/61/94/89/460619489.db2.gz FWSPDADDELULEP-UHFFFAOYSA-N 1 0 326.352 3.003 10 5 EGBERO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000089513355 454158503 /nfs/dbraw/zinc/15/85/03/454158503.db2.gz NPRDEGQGMHXUGV-LBPRGKRZSA-N 1 0 343.383 3.413 10 5 EGBERO COc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000089580655 454163039 /nfs/dbraw/zinc/16/30/39/454163039.db2.gz STPNIHFTICOMQO-LBPRGKRZSA-N 1 0 334.347 3.472 10 5 EGBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000119397144 454192343 /nfs/dbraw/zinc/19/23/43/454192343.db2.gz UCIQRXIZJWAPBF-AWEZNQCLSA-N 1 0 330.384 3.242 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000131475908 454257333 /nfs/dbraw/zinc/25/73/33/454257333.db2.gz OJHCMZUMSKMNKU-CQSZACIVSA-N 1 0 346.431 3.012 10 5 EGBERO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000090068880 454271288 /nfs/dbraw/zinc/27/12/88/454271288.db2.gz LVRWMMLONOONQL-MFKMUULPSA-N 1 0 334.401 3.119 10 5 EGBERO CC[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090073661 454273582 /nfs/dbraw/zinc/27/35/82/454273582.db2.gz NFSQOUMSIAHRJM-PBHICJAKSA-N 1 0 348.447 3.220 10 5 EGBERO CC[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090522954 454315832 /nfs/dbraw/zinc/31/58/32/454315832.db2.gz QNTLBVCMLDJTJI-PBHICJAKSA-N 1 0 348.447 3.077 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)cc1[N+](=O)[O-] ZINC000097032482 454390742 /nfs/dbraw/zinc/39/07/42/454390742.db2.gz QEECMYGGKZDQKJ-HIFRSBDPSA-N 1 0 344.415 3.164 10 5 EGBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000105885411 454663068 /nfs/dbraw/zinc/66/30/68/454663068.db2.gz YDYAZCXMFGMNQL-MRXNPFEDSA-N 1 0 343.431 3.024 10 5 EGBERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213199 454686444 /nfs/dbraw/zinc/68/64/44/454686444.db2.gz MDMWXDRIKNKVLH-MRXNPFEDSA-N 1 0 328.416 3.499 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000125030290 454791694 /nfs/dbraw/zinc/79/16/94/454791694.db2.gz VEQNOABUIKUIEB-UHFFFAOYSA-N 1 0 333.432 3.096 10 5 EGBERO CC[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000151515017 454995858 /nfs/dbraw/zinc/99/58/58/454995858.db2.gz HJNCQWUULDEZDB-KRWDZBQOSA-N 1 0 337.383 3.416 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)o2)cc1 ZINC000179546956 455057138 /nfs/dbraw/zinc/05/71/38/455057138.db2.gz TZYRLWGVSYIRCT-MRXNPFEDSA-N 1 0 327.384 3.135 10 5 EGBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179959839 455106475 /nfs/dbraw/zinc/10/64/75/455106475.db2.gz JIGYPBHBZKIDEQ-PMGBHYCQSA-N 1 0 332.400 3.272 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191356832 455479836 /nfs/dbraw/zinc/47/98/36/455479836.db2.gz OXSCCWVLSPCCTG-CQSZACIVSA-N 1 0 334.420 3.160 10 5 EGBERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000191560499 455496562 /nfs/dbraw/zinc/49/65/62/455496562.db2.gz SPYHXOTVVKABBS-NSHDSACASA-N 1 0 349.412 3.121 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000185586063 455582050 /nfs/dbraw/zinc/58/20/50/455582050.db2.gz VIVLCVIJJIHXAX-OAHLLOKOSA-N 1 0 334.416 3.457 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000248890744 455737367 /nfs/dbraw/zinc/73/73/67/455737367.db2.gz SPMSRFWLEPXQGL-HNAYVOBHSA-N 1 0 344.411 3.165 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000278212850 455788068 /nfs/dbraw/zinc/78/80/68/455788068.db2.gz WIYFPIYZGPOLDX-LBPRGKRZSA-N 1 0 339.823 3.161 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285527529 455863478 /nfs/dbraw/zinc/86/34/78/455863478.db2.gz HCKJENCYOOKLPU-CQSZACIVSA-N 1 0 326.400 3.487 10 5 EGBERO CCC[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301288597 456082033 /nfs/dbraw/zinc/08/20/33/456082033.db2.gz PGYLYXUZMKBAJZ-UHFFFAOYSA-N 1 0 342.237 3.279 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000289862383 456159802 /nfs/dbraw/zinc/15/98/02/456159802.db2.gz RDAYDBLVFMVGBR-OCCSQVGLSA-N 1 0 334.420 3.104 10 5 EGBERO C[C@@H]1CN(C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302853635 456417019 /nfs/dbraw/zinc/41/70/19/456417019.db2.gz JWWYAOIXJYPZGV-TXEJJXNPSA-N 1 0 325.384 3.034 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473704 456525961 /nfs/dbraw/zinc/52/59/61/456525961.db2.gz KWKBHZLWQDGMTB-BQUDOFGOSA-N 1 0 336.407 3.495 10 5 EGBERO O=[N+]([O-])c1cnccc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343629117 456756090 /nfs/dbraw/zinc/75/60/90/456756090.db2.gz KXJZXMKKMWPMLR-LJQANCHMSA-N 1 0 338.411 3.092 10 5 EGBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000292000731 456825396 /nfs/dbraw/zinc/82/53/96/456825396.db2.gz MFTIPBOQPJIXQX-GFCCVEGCSA-N 1 0 341.839 3.407 10 5 EGBERO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347020951 457195846 /nfs/dbraw/zinc/19/58/46/457195846.db2.gz VTPWSHCLAYFDPL-HNNXBMFYSA-N 1 0 345.443 3.201 10 5 EGBERO Cc1sc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000378190950 457383409 /nfs/dbraw/zinc/38/34/09/457383409.db2.gz QVILEZRCIGKGSE-UHFFFAOYSA-N 1 0 331.397 3.016 10 5 EGBERO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000347412726 457412575 /nfs/dbraw/zinc/41/25/75/457412575.db2.gz KQAQYKAFZIURFH-KRWDZBQOSA-N 1 0 342.399 3.247 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360921878 457433739 /nfs/dbraw/zinc/43/37/39/457433739.db2.gz XYOHQFDUJPCTNT-CXAGYDPISA-N 1 0 327.384 3.123 10 5 EGBERO COCC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000426502534 457843934 /nfs/dbraw/zinc/84/39/34/457843934.db2.gz CFTJTYBRMGTZCC-INIZCTEOSA-N 1 0 346.383 3.092 10 5 EGBERO O=C(CC[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444703920 457949333 /nfs/dbraw/zinc/94/93/33/457949333.db2.gz SSHAJKWHOWZGGE-LLVKDONJSA-N 1 0 345.321 3.198 10 5 EGBERO CC[C@H](NC(=O)N1CC[N@H+](CC)C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506330 458073480 /nfs/dbraw/zinc/07/34/80/458073480.db2.gz NPKCVKOAYYDQLF-WBVHZDCISA-N 1 0 348.447 3.172 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)o2)c(Cl)c1 ZINC000428379829 458132012 /nfs/dbraw/zinc/13/20/12/458132012.db2.gz BIXRRCQIRUZKKZ-MRXNPFEDSA-N 1 0 348.786 3.465 10 5 EGBERO CC[NH+](CC)C[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446040610 458132469 /nfs/dbraw/zinc/13/24/69/458132469.db2.gz BMFBMABIRCFHTA-NSHDSACASA-N 1 0 327.812 3.017 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000428554477 458170414 /nfs/dbraw/zinc/17/04/14/458170414.db2.gz ZNZPITYULOHSPW-MOPGFXCFSA-N 1 0 344.386 3.298 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](NCCC[NH2+]C2CC2)c2ccccc2)c1 ZINC000423545002 458455763 /nfs/dbraw/zinc/45/57/63/458455763.db2.gz DIESEALUCFUIBM-IBGZPJMESA-N 1 0 325.412 3.416 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441439234 458942833 /nfs/dbraw/zinc/94/28/33/458942833.db2.gz SSLMDLOOOZNZGX-GOSISDBHSA-N 1 0 334.416 3.397 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000566490271 458948378 /nfs/dbraw/zinc/94/83/78/458948378.db2.gz FRTAUGNURJQYOE-KRWDZBQOSA-N 1 0 327.384 3.353 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000566490272 458948397 /nfs/dbraw/zinc/94/83/97/458948397.db2.gz FRTAUGNURJQYOE-QGZVFWFLSA-N 1 0 327.384 3.353 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000476924309 459022004 /nfs/dbraw/zinc/02/20/04/459022004.db2.gz PAQLIBDLPYAAFP-UHFFFAOYSA-N 1 0 345.443 3.311 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000594506846 459066838 /nfs/dbraw/zinc/06/68/38/459066838.db2.gz FNLUJZMMIOXCBR-ICSRJNTNSA-N 1 0 338.407 3.048 10 5 EGBERO O=C(CC[NH2+]C[C@H]1CCC2(CCCC2)O1)Nc1ccccc1[N+](=O)[O-] ZINC000594574579 459095265 /nfs/dbraw/zinc/09/52/65/459095265.db2.gz FMGBKZYDIKDQQP-CQSZACIVSA-N 1 0 347.415 3.005 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000594592583 459102540 /nfs/dbraw/zinc/10/25/40/459102540.db2.gz SHECVPQIZLBZEU-JGZJWPJOSA-N 1 0 328.210 3.109 10 5 EGBERO Cc1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000594738183 459146727 /nfs/dbraw/zinc/14/67/27/459146727.db2.gz BKPBILXDDLVEJP-GOSISDBHSA-N 1 0 327.384 3.176 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000594738764 459147565 /nfs/dbraw/zinc/14/75/65/459147565.db2.gz MWURSPSMGNQWSM-CTDFLUCESA-N 1 0 337.423 3.343 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000594739138 459147907 /nfs/dbraw/zinc/14/79/07/459147907.db2.gz LLXDRKNFVHHWFR-JUGMSXHOSA-N 1 0 339.395 3.381 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000521681054 459171979 /nfs/dbraw/zinc/17/19/79/459171979.db2.gz LZQQADIRKGESMO-OAHLLOKOSA-N 1 0 333.363 3.457 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C34CCC4)o2)cc1 ZINC000594985839 459204827 /nfs/dbraw/zinc/20/48/27/459204827.db2.gz ASXYFZVNHOXUSB-DLBZAZTESA-N 1 0 328.368 3.248 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000595041995 459226095 /nfs/dbraw/zinc/22/60/95/459226095.db2.gz SAGLIFRSXSPXAP-GFCCVEGCSA-N 1 0 348.403 3.393 10 5 EGBERO CC(C)(C)N1CC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054023 459229459 /nfs/dbraw/zinc/22/94/59/459229459.db2.gz MSIGBOACUPAOJH-IRXDYDNUSA-N 1 0 331.460 3.378 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC000595074862 459238496 /nfs/dbraw/zinc/23/84/96/459238496.db2.gz WKXGMGSVEWKNCK-GUYCJALGSA-N 1 0 339.395 3.142 10 5 EGBERO COc1ccnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1F ZINC000595079016 459239314 /nfs/dbraw/zinc/23/93/14/459239314.db2.gz CBKMADHFJLCVAG-GFCCVEGCSA-N 1 0 333.363 3.248 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000595087898 459240959 /nfs/dbraw/zinc/24/09/59/459240959.db2.gz TVHJJWXXMHMVPY-XCRHUMRWSA-N 1 0 328.416 3.390 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000595094023 459243196 /nfs/dbraw/zinc/24/31/96/459243196.db2.gz SAEUGJNDZFTSFC-LBPRGKRZSA-N 1 0 328.359 3.494 10 5 EGBERO COc1ccc([C@H](C)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000595423155 459295440 /nfs/dbraw/zinc/29/54/40/459295440.db2.gz JPGGBGKNENSQJO-CYBMUJFWSA-N 1 0 327.384 3.160 10 5 EGBERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000595770883 459433429 /nfs/dbraw/zinc/43/34/29/459433429.db2.gz OHCRRTXSWHFPHB-CJNGLKHVSA-N 1 0 348.834 3.483 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595817759 459450882 /nfs/dbraw/zinc/45/08/82/459450882.db2.gz CEFXCQOCZZAHEP-HSBZDZAISA-N 1 0 337.395 3.348 10 5 EGBERO CN(C(=O)C[N@@H+]1CCC[C@@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595837720 459459877 /nfs/dbraw/zinc/45/98/77/459459877.db2.gz SCFIVKHMJKZQDO-OAHLLOKOSA-N 1 0 331.416 3.070 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595874660 459470299 /nfs/dbraw/zinc/47/02/99/459470299.db2.gz YJRXYZBHXSGGMP-UHFFFAOYSA-N 1 0 346.431 3.460 10 5 EGBERO COCC1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000595908607 459483116 /nfs/dbraw/zinc/48/31/16/459483116.db2.gz IUYLLJXDPSHOPY-UHFFFAOYSA-N 1 0 346.387 3.084 10 5 EGBERO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592178418 459543421 /nfs/dbraw/zinc/54/34/21/459543421.db2.gz LCUSKACWRURBGQ-KRWDZBQOSA-N 1 0 334.416 3.046 10 5 EGBERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592569957 459632068 /nfs/dbraw/zinc/63/20/68/459632068.db2.gz IHWVJSGWHODTNW-HNNXBMFYSA-N 1 0 345.424 3.214 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596439716 459636673 /nfs/dbraw/zinc/63/66/73/459636673.db2.gz GHEIPTZALMNECS-NSHDSACASA-N 1 0 340.811 3.243 10 5 EGBERO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000544115699 459729629 /nfs/dbraw/zinc/72/96/29/459729629.db2.gz VTAAQUAOTPNLIW-CQSZACIVSA-N 1 0 347.415 3.220 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593189670 459802137 /nfs/dbraw/zinc/80/21/37/459802137.db2.gz XQNDRVXBGGOQLS-UTUOFQBUSA-N 1 0 339.823 3.110 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000588489506 459954891 /nfs/dbraw/zinc/95/48/91/459954891.db2.gz YVSYZDRHGJELSQ-DIWYCERUSA-N 1 0 346.427 3.172 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000593715150 459960708 /nfs/dbraw/zinc/96/07/08/459960708.db2.gz HVAXVOCYMHQASV-FOIQADDNSA-N 1 0 340.423 3.430 10 5 EGBERO O=[N+]([O-])c1ncccc1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000609513040 459972546 /nfs/dbraw/zinc/97/25/46/459972546.db2.gz JBUJWTMLAUVCEJ-GFCCVEGCSA-N 1 0 348.353 3.345 10 5 EGBERO Cn1cc(C[NH+]2CC(CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598677788 459989760 /nfs/dbraw/zinc/98/97/60/459989760.db2.gz JSJFWUAFMBCIQK-UHFFFAOYSA-N 1 0 326.400 3.227 10 5 EGBERO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCCO1 ZINC000594040583 460069664 /nfs/dbraw/zinc/06/96/64/460069664.db2.gz HCADAKPZTLAKSE-GJZGRUSLSA-N 1 0 346.387 3.082 10 5 EGBERO Cn1ccnc1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272688 460101565 /nfs/dbraw/zinc/10/15/65/460101565.db2.gz DEIFWCJNOPXRGR-GOSISDBHSA-N 1 0 336.395 3.402 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000599060527 460145841 /nfs/dbraw/zinc/14/58/41/460145841.db2.gz XRXZPMFWLJBMHZ-GUYCJALGSA-N 1 0 342.395 3.396 10 5 EGBERO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000610433312 460151225 /nfs/dbraw/zinc/15/12/25/460151225.db2.gz AHJCYJGZHDCUFN-INIZCTEOSA-N 1 0 331.441 3.363 10 5 EGBERO CCC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599092078 460159069 /nfs/dbraw/zinc/15/90/69/460159069.db2.gz FBHIXQYUNULPOS-IRXDYDNUSA-N 1 0 331.416 3.179 10 5 EGBERO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccncc1 ZINC000610517714 460172886 /nfs/dbraw/zinc/17/28/86/460172886.db2.gz JKTJIEWKXXNPNB-NSHDSACASA-N 1 0 337.326 3.485 10 5 EGBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599626496 460291067 /nfs/dbraw/zinc/29/10/67/460291067.db2.gz XAKDJYVFHGLTMM-LFNDISMMSA-N 1 0 343.221 3.259 10 5 EGBERO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600471993 460500742 /nfs/dbraw/zinc/50/07/42/460500742.db2.gz WLDASBRKBBOJBT-HNNXBMFYSA-N 1 0 345.443 3.006 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601238853 460761584 /nfs/dbraw/zinc/76/15/84/460761584.db2.gz YMQWGEHQXRTTIU-UHFFFAOYSA-N 1 0 338.383 3.072 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601461356 460815215 /nfs/dbraw/zinc/81/52/15/460815215.db2.gz BNZBRQRLBLXHLU-UHFFFAOYSA-N 1 0 349.406 3.142 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000186279770 527948322 /nfs/dbraw/zinc/94/83/22/527948322.db2.gz GSECBIWNQDLWFP-RRQGHBQHSA-N 1 0 334.416 3.220 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181533939 529154717 /nfs/dbraw/zinc/15/47/17/529154717.db2.gz GRIYAQRHGBMOSK-QGZVFWFLSA-N 1 0 343.383 3.283 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247060476 535586755 /nfs/dbraw/zinc/58/67/55/535586755.db2.gz OAKDVZVVIQJQRR-ZBFHGGJFSA-N 1 0 348.447 3.090 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1F ZINC000187764275 536808639 /nfs/dbraw/zinc/80/86/39/536808639.db2.gz IBMQOBYQFXVZCF-HUUCEWRRSA-N 1 0 348.378 3.213 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000132174276 1293711729 /nfs/dbraw/zinc/71/17/29/1293711729.db2.gz YTSGUSINGCGNLN-KRWDZBQOSA-N 1 0 332.787 3.172 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC4(C3)CCCCC4)n2)c1 ZINC000172937999 1294450391 /nfs/dbraw/zinc/45/03/91/1294450391.db2.gz JCNGFXVLWGLGPW-UHFFFAOYSA-N 1 0 341.415 3.467 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCCCC2)c1 ZINC000872236971 1296837707 /nfs/dbraw/zinc/83/77/07/1296837707.db2.gz XZVVDFRPFWKQLR-MOPGFXCFSA-N 1 0 347.459 3.015 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878370864 1299952852 /nfs/dbraw/zinc/95/28/52/1299952852.db2.gz NEDAOYPTXLHBOQ-SJORKVTESA-N 1 0 334.416 3.364 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000886716105 1303577135 /nfs/dbraw/zinc/57/71/35/1303577135.db2.gz NZRRQXDVOTYBHW-CZUORRHYSA-N 1 0 349.431 3.107 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000895611030 1309428054 /nfs/dbraw/zinc/42/80/54/1309428054.db2.gz OLLDFDLGTVQCDE-XVKPBYJWSA-N 1 0 335.148 3.491 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895721636 1309489843 /nfs/dbraw/zinc/48/98/43/1309489843.db2.gz DURXVQFTWCYQDO-INIZCTEOSA-N 1 0 348.443 3.082 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000858128373 1328689680 /nfs/dbraw/zinc/68/96/80/1328689680.db2.gz LJIURUBJULDBTH-GFCCVEGCSA-N 1 0 346.330 3.498 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000858506599 1328783810 /nfs/dbraw/zinc/78/38/10/1328783810.db2.gz VCHBBBQCYMUMHZ-CZUORRHYSA-N 1 0 332.400 3.157 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000930208935 1328812082 /nfs/dbraw/zinc/81/20/82/1328812082.db2.gz XWPGTACNMHOJSH-KYNGSXCRSA-N 1 0 344.411 3.120 10 5 EGBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917075650 1319750227 /nfs/dbraw/zinc/75/02/27/1319750227.db2.gz PVBVMTWYODKWND-BETUJISGSA-N 1 0 347.419 3.301 10 5 EGBERO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)nn1 ZINC000930638381 1328921556 /nfs/dbraw/zinc/92/15/56/1328921556.db2.gz NPXFYGNWCNLKNT-INIZCTEOSA-N 1 0 326.400 3.381 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922461259 1322533137 /nfs/dbraw/zinc/53/31/37/1322533137.db2.gz KQVXKCZHTHMLHF-JSGCOSHPSA-N 1 0 348.321 3.193 10 5 EGBERO CC(C)[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926440963 1325556144 /nfs/dbraw/zinc/55/61/44/1325556144.db2.gz VKGQIIPXSWNUHC-SJLPKXTDSA-N 1 0 331.416 3.269 10 5 EGBERO Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nn1C ZINC000926916684 1327775017 /nfs/dbraw/zinc/77/50/17/1327775017.db2.gz YVJVCXXDURNICC-QAPCUYQASA-N 1 0 342.443 3.180 10 5 EGBERO CN(C)[C@@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000926959265 1327797794 /nfs/dbraw/zinc/79/77/94/1327797794.db2.gz QYMIERROPSORBI-JSGCOSHPSA-N 1 0 331.338 3.054 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000927063250 1327836277 /nfs/dbraw/zinc/83/62/77/1327836277.db2.gz ATBOHLFPOKYOEB-HRCADAONSA-N 1 0 341.415 3.337 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000927156932 1327897785 /nfs/dbraw/zinc/89/77/85/1327897785.db2.gz RIONASYHABZVDP-ZAAXVRCTSA-N 1 0 338.407 3.264 10 5 EGBERO Cc1ccc(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000927286457 1327956477 /nfs/dbraw/zinc/95/64/77/1327956477.db2.gz OQYYQRGMTLHQML-UHFFFAOYSA-N 1 0 346.431 3.432 10 5 EGBERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000861920903 1329450679 /nfs/dbraw/zinc/45/06/79/1329450679.db2.gz TXQJJBWDLONJGV-AWEZNQCLSA-N 1 0 341.411 3.304 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862162805 1329463332 /nfs/dbraw/zinc/46/33/32/1329463332.db2.gz NIMRADBHDNULOW-AWEZNQCLSA-N 1 0 341.411 3.351 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CC1 ZINC000866054986 1330060382 /nfs/dbraw/zinc/06/03/82/1330060382.db2.gz NMEGKMVVRRXFOW-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000866054672 1330060436 /nfs/dbraw/zinc/06/04/36/1330060436.db2.gz GQRHMCSZIUXQLD-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CCOCC3)CCC2 ZINC000866532389 1330122720 /nfs/dbraw/zinc/12/27/20/1330122720.db2.gz LTWXRIMFQKFQKH-SJLPKXTDSA-N 1 0 346.427 3.148 10 5 EGBERO CC1(C)CCC(C)(C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001196274272 1368581829 /nfs/dbraw/zinc/58/18/29/1368581829.db2.gz DVLGXSGJPZIFME-UHFFFAOYSA-N 1 0 345.443 3.385 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=CC12CCCCC2 ZINC001198801651 1369117627 /nfs/dbraw/zinc/11/76/27/1369117627.db2.gz VHTKSLTXJHKUIC-UHFFFAOYSA-N 1 0 329.400 3.416 10 5 EGBERO CC1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC(C)(C)[NH2+]1 ZINC001124023194 1372658910 /nfs/dbraw/zinc/65/89/10/1372658910.db2.gz JWOMTGJZIPCUEQ-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO CC[NH+](CC)CCCCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001137167628 1377489470 /nfs/dbraw/zinc/48/94/70/1377489470.db2.gz PARGEKQLARSITQ-UHFFFAOYSA-N 1 0 341.839 3.029 10 5 EGBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CC[NH+](CC(C)C)CC1)CC2 ZINC001137830303 1377624260 /nfs/dbraw/zinc/62/42/60/1377624260.db2.gz XCXCHLSSZRYJMX-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO CCC[NH+](CCC)CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001292846722 1382219907 /nfs/dbraw/zinc/21/99/07/1382219907.db2.gz LUHOJDJIEKQTCW-UHFFFAOYSA-N 1 0 341.839 3.490 10 5 EGBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001294219754 1382428195 /nfs/dbraw/zinc/42/81/95/1382428195.db2.gz NYZVDTDZJGKFJH-SJLPKXTDSA-N 1 0 345.443 3.051 10 5 EGBERO CCC[N@@H+]1CCC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001294224109 1382429883 /nfs/dbraw/zinc/42/98/83/1382429883.db2.gz RTMIZOZLNPWYNV-KRWDZBQOSA-N 1 0 347.459 3.156 10 5 EGBERO CC(C)C1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC001162686727 1382833220 /nfs/dbraw/zinc/83/32/20/1382833220.db2.gz YJNDFAUEFKFLTI-UHFFFAOYSA-N 1 0 332.448 3.327 10 5 EGBERO CCCCCC[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001163351430 1383028299 /nfs/dbraw/zinc/02/82/99/1383028299.db2.gz ZKNNIUHPDWIJQF-UHFFFAOYSA-N 1 0 343.374 3.001 10 5 EGBERO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001163682062 1383104783 /nfs/dbraw/zinc/10/47/83/1383104783.db2.gz YRBKQQYJYQUKPA-KRWDZBQOSA-N 1 0 325.412 3.348 10 5 EGBERO CC[N@@H+]1CCC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001164243632 1383170475 /nfs/dbraw/zinc/17/04/75/1383170475.db2.gz YFODUGSTLOEOFW-JTQLQIEISA-N 1 0 335.795 3.088 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001164294179 1383175370 /nfs/dbraw/zinc/17/53/70/1383175370.db2.gz JBOLJGLMRXHOBU-JTQLQIEISA-N 1 0 335.795 3.088 10 5 EGBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001304166105 1383836543 /nfs/dbraw/zinc/83/65/43/1383836543.db2.gz QPLMCFPNOYFTRL-LLVKDONJSA-N 1 0 342.380 3.362 10 5 EGBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001306932876 1383922279 /nfs/dbraw/zinc/92/22/79/1383922279.db2.gz PSGNFOMWHUJUPS-ZIAGYGMSSA-N 1 0 346.818 3.257 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001306942546 1383923653 /nfs/dbraw/zinc/92/36/53/1383923653.db2.gz UXIGDPOUNSOTDP-HZSPNIEDSA-N 1 0 349.431 3.160 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](C3CCCCC3)CC1)CCCC2 ZINC001307075569 1383937061 /nfs/dbraw/zinc/93/70/61/1383937061.db2.gz VTCBVVHMLWQQHD-UHFFFAOYSA-N 1 0 344.459 3.323 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(C[NH+](C)C)CCCC1 ZINC001307091525 1383939120 /nfs/dbraw/zinc/93/91/20/1383939120.db2.gz WBWJIGFUROFQPT-UHFFFAOYSA-N 1 0 349.431 3.224 10 5 EGBERO CCCC[N@H+](C)C[C@@H](C)Nc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001307132968 1383943125 /nfs/dbraw/zinc/94/31/25/1383943125.db2.gz OQMAIXJNMNMFTJ-CYBMUJFWSA-N 1 0 346.431 3.106 10 5 EGBERO Nc1cc(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)cc[nH+]1 ZINC001307218873 1383959320 /nfs/dbraw/zinc/95/93/20/1383959320.db2.gz GMASVUFTXNRTPL-UHFFFAOYSA-N 1 0 344.400 3.012 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001168741053 1383987076 /nfs/dbraw/zinc/98/70/76/1383987076.db2.gz GKARRMOKHHDGPF-IPMKNSEASA-N 1 0 344.411 3.120 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1 ZINC001308119462 1384097424 /nfs/dbraw/zinc/09/74/24/1384097424.db2.gz UFUMJUQBXSXIOV-DNQNPRGNSA-N 1 0 344.411 3.249 10 5 EGBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC001308150791 1384101234 /nfs/dbraw/zinc/10/12/34/1384101234.db2.gz JMMANLYZFDZOER-SJLPKXTDSA-N 1 0 335.423 3.429 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC001171811166 1384646019 /nfs/dbraw/zinc/64/60/19/1384646019.db2.gz VRTCHBMUYBOLQW-BRWVUGGUSA-N 1 0 346.427 3.457 10 5 EGBERO CC[N@H+](CCNC(=O)c1cccc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001317476643 1385172338 /nfs/dbraw/zinc/17/23/38/1385172338.db2.gz XCEGCYZQRMSVHK-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC001175193388 1385216482 /nfs/dbraw/zinc/21/64/82/1385216482.db2.gz CIQNFAWGJYSIKO-OALUTQOASA-N 1 0 342.395 3.172 10 5 EGBERO CC(C)=CC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001318611771 1385794041 /nfs/dbraw/zinc/79/40/41/1385794041.db2.gz BGFOCZKCBPGWGM-UHFFFAOYSA-N 1 0 337.445 3.141 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCCCCC1 ZINC001321041444 1386791809 /nfs/dbraw/zinc/79/18/09/1386791809.db2.gz LPQGTJDFXVUWHV-WAYWQWQTSA-N 1 0 343.427 3.247 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1-c1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001322360715 1387170099 /nfs/dbraw/zinc/17/00/99/1387170099.db2.gz UTUJAZFTABEURE-UHFFFAOYSA-N 1 0 330.388 3.228 10 5 EGBERO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@H](CCF)C3)c2)c1 ZINC001333723050 1390384045 /nfs/dbraw/zinc/38/40/45/1390384045.db2.gz SKGATGNBCDZQOI-AWEZNQCLSA-N 1 0 332.379 3.487 10 5 EGBERO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@H](CCF)C3)c2)c1 ZINC001333723051 1390384196 /nfs/dbraw/zinc/38/41/96/1390384196.db2.gz SKGATGNBCDZQOI-CQSZACIVSA-N 1 0 332.379 3.487 10 5 EGBERO Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111871 1390441971 /nfs/dbraw/zinc/44/19/71/1390441971.db2.gz NHWSRTCGQHSBOM-GDBMZVCRSA-N 1 0 330.363 3.295 10 5 EGBERO O=C(C=C1CCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001698796765 1406466524 /nfs/dbraw/zinc/46/65/24/1406466524.db2.gz WSSCJWPKYXFZGL-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO CCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001479314878 1392212185 /nfs/dbraw/zinc/21/21/85/1392212185.db2.gz PCHSDYFCKNDKAU-OTVXOJSOSA-N 1 0 333.432 3.015 10 5 EGBERO CCc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001481272613 1393156055 /nfs/dbraw/zinc/15/60/55/1393156055.db2.gz JEUYEXCLNVSCRR-UHFFFAOYSA-N 1 0 341.411 3.019 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001490918187 1394373555 /nfs/dbraw/zinc/37/35/55/1394373555.db2.gz CUXCTFWQWMRVKQ-WKILWMFISA-N 1 0 331.416 3.078 10 5 EGBERO CC1(C(=O)N2CCC(CC[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001481998603 1394657788 /nfs/dbraw/zinc/65/77/88/1394657788.db2.gz CJWNVNLSJYBPIJ-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C=C(C)C)CC1 ZINC001484807531 1395542839 /nfs/dbraw/zinc/54/28/39/1395542839.db2.gz XCLWRGQGGKNVPM-UHFFFAOYSA-N 1 0 345.443 3.422 10 5 EGBERO CCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC001699667488 1413054849 /nfs/dbraw/zinc/05/48/49/1413054849.db2.gz PTTYNDVPDIPDDL-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCCCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001699764659 1413169788 /nfs/dbraw/zinc/16/97/88/1413169788.db2.gz GXLAUZJQNSRXEF-UHFFFAOYSA-N 1 0 333.432 3.256 10 5 EGBERO CC(C)=C(C)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001700136452 1413553769 /nfs/dbraw/zinc/55/37/69/1413553769.db2.gz VDGASXKTQOLLKY-UHFFFAOYSA-N 1 0 345.443 3.470 10 5 EGBERO CC(C)(C)/C=C/C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001700144426 1413567480 /nfs/dbraw/zinc/56/74/80/1413567480.db2.gz KCZWQUINKPKYRD-FMIVXFBMSA-N 1 0 345.443 3.326 10 5 EGBERO CN(C(=O)CC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001713050521 1417602019 /nfs/dbraw/zinc/60/20/19/1417602019.db2.gz VFVPGYLRNKJEMF-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO Cc1cccc(C)c1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713468857 1418134477 /nfs/dbraw/zinc/13/44/77/1418134477.db2.gz PAIKSARGHJQMRV-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO CC(C)(C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001713561220 1418362012 /nfs/dbraw/zinc/36/20/12/1418362012.db2.gz ISUXJYKGPIATAQ-UHFFFAOYSA-N 1 0 345.443 3.112 10 5 EGBERO CC/C=C(\C)C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001733354967 1429535593 /nfs/dbraw/zinc/53/55/93/1429535593.db2.gz GOQIJTQIFTWMMF-PJQLUOCWSA-N 1 0 345.443 3.422 10 5 EGBERO CCCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001725363577 1426013842 /nfs/dbraw/zinc/01/38/42/1426013842.db2.gz NPJPNGKCTLTEQA-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1=CCCC1 ZINC001731330734 1427270128 /nfs/dbraw/zinc/27/01/28/1427270128.db2.gz KDCYJJPNDBWIMD-UHFFFAOYSA-N 1 0 343.427 3.176 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CCCCC1 ZINC001733712134 1429929288 /nfs/dbraw/zinc/92/92/88/1429929288.db2.gz PRZQVQOZMDNYNK-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000371546176 168623543 /nfs/dbraw/zinc/62/35/43/168623543.db2.gz LAGCXKUZFKEWMW-LPHOPBHVSA-N 1 0 342.395 3.341 10 5 EGBERO COc1ccccc1Oc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040586496 213355368 /nfs/dbraw/zinc/35/53/68/213355368.db2.gz KXTZIRPNYSESMC-UHFFFAOYSA-N 1 0 339.311 3.324 10 5 EGBERO CC(C)[NH2+]CCCOc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC000037288864 213139199 /nfs/dbraw/zinc/13/91/99/213139199.db2.gz QLPTUMQPXJQRFO-UHFFFAOYSA-N 1 0 335.173 3.263 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000191354678 239059758 /nfs/dbraw/zinc/05/97/58/239059758.db2.gz VPQUIRGWAAWHFF-HNNXBMFYSA-N 1 0 346.431 3.304 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCO2)c(Br)c1 ZINC000038096968 213200628 /nfs/dbraw/zinc/20/06/28/213200628.db2.gz UVSXLNSBMTXAHA-GFCCVEGCSA-N 1 0 329.194 3.016 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132837414 223366612 /nfs/dbraw/zinc/36/66/12/223366612.db2.gz HFQYYCDKLUXYFW-NVXWUHKLSA-N 1 0 333.432 3.083 10 5 EGBERO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183348589 533127585 /nfs/dbraw/zinc/12/75/85/533127585.db2.gz CQJBYFZBVXOCAT-GOSISDBHSA-N 1 0 330.384 3.077 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185603038 144116278 /nfs/dbraw/zinc/11/62/78/144116278.db2.gz KAPUVAABCWXJBK-UKRRQHHQSA-N 1 0 328.368 3.128 10 5 EGBERO C[C@H]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000337321484 154282389 /nfs/dbraw/zinc/28/23/89/154282389.db2.gz QEGSNPZUESOWMS-KSSFIOAISA-N 1 0 331.416 3.436 10 5 EGBERO CC1=CC[N@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000339978805 155058550 /nfs/dbraw/zinc/05/85/50/155058550.db2.gz SWVHWEODNUCPBC-UHFFFAOYSA-N 1 0 330.310 3.073 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000340154564 155116429 /nfs/dbraw/zinc/11/64/29/155116429.db2.gz IGQQGRQYTABJHP-OAHLLOKOSA-N 1 0 340.427 3.398 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806595 162058547 /nfs/dbraw/zinc/05/85/47/162058547.db2.gz QPOWZMGPUQPFBS-CQSZACIVSA-N 1 0 341.415 3.047 10 5 EGBERO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCO1 ZINC000113321119 162208795 /nfs/dbraw/zinc/20/87/95/162208795.db2.gz UEPZMGGVEWOJSQ-XHDPSFHLSA-N 1 0 333.413 3.375 10 5 EGBERO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000150895735 162558405 /nfs/dbraw/zinc/55/84/05/162558405.db2.gz OYCJSOHQBUPFDY-AWEZNQCLSA-N 1 0 337.383 3.069 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC000344109327 164105419 /nfs/dbraw/zinc/10/54/19/164105419.db2.gz KGABXWGBWVXVOE-UHFFFAOYSA-N 1 0 328.397 3.174 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3csc([N+](=O)[O-])c3)cccc21 ZINC000345552683 164213444 /nfs/dbraw/zinc/21/34/44/164213444.db2.gz VQAVMSSCAGZXGZ-ZDUSSCGKSA-N 1 0 347.396 3.294 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000354894478 166058111 /nfs/dbraw/zinc/05/81/11/166058111.db2.gz XXXNWMDSQKIEMP-UHFFFAOYSA-N 1 0 337.445 3.064 10 5 EGBERO C[C@H]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359559855 167193363 /nfs/dbraw/zinc/19/33/63/167193363.db2.gz POVVJDMFVOOMNG-KSSFIOAISA-N 1 0 331.416 3.436 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367389688 168218723 /nfs/dbraw/zinc/21/87/23/168218723.db2.gz WOMYRJNSAFZLKP-SJLPKXTDSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178648166 265332978 /nfs/dbraw/zinc/33/29/78/265332978.db2.gz CLDWNURWSGEZRD-YJBOKZPZSA-N 1 0 327.428 3.418 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273320025 267019586 /nfs/dbraw/zinc/01/95/86/267019586.db2.gz WJUKVSCXSQIIDG-BUYIWHAFSA-N 1 0 345.443 3.187 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000273519993 267051337 /nfs/dbraw/zinc/05/13/37/267051337.db2.gz PTIPQJHNWYRQBP-DUVHGLKDSA-N 1 0 343.427 3.085 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125105363 273641697 /nfs/dbraw/zinc/64/16/97/273641697.db2.gz IDHBKJURTIMRBR-SNVBAGLBSA-N 1 0 347.337 3.074 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000352022766 274093787 /nfs/dbraw/zinc/09/37/87/274093787.db2.gz QWLNDESXXMODQR-LJQANCHMSA-N 1 0 340.379 3.235 10 5 EGBERO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000029966406 275033090 /nfs/dbraw/zinc/03/30/90/275033090.db2.gz WPHSVSYWRSGOFY-UHFFFAOYSA-N 1 0 348.281 3.030 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(C(F)(F)F)CC2)n1 ZINC000353947795 275040512 /nfs/dbraw/zinc/04/05/12/275040512.db2.gz PFSWCBPGWIMORR-MNOVXSKESA-N 1 0 332.326 3.207 10 5 EGBERO O=C(CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278757293 275272157 /nfs/dbraw/zinc/27/21/57/275272157.db2.gz MKHXLDFWFSAHMB-NSHDSACASA-N 1 0 345.321 3.198 10 5 EGBERO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279705757 275351554 /nfs/dbraw/zinc/35/15/54/275351554.db2.gz JZABWVVSQBTTQM-HIFRSBDPSA-N 1 0 349.431 3.330 10 5 EGBERO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC000282620342 275654344 /nfs/dbraw/zinc/65/43/44/275654344.db2.gz FMNHMBBMNVMENO-SNVBAGLBSA-N 1 0 329.422 3.001 10 5 EGBERO CN1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284433795 275800320 /nfs/dbraw/zinc/80/03/20/275800320.db2.gz YTRVGUBCPCVPGH-APWZRJJASA-N 1 0 341.411 3.009 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293047069 308093586 /nfs/dbraw/zinc/09/35/86/308093586.db2.gz SUJPVGKEOGDHEX-UHFFFAOYSA-N 1 0 341.411 3.030 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414559746 309089214 /nfs/dbraw/zinc/08/92/14/309089214.db2.gz QCVPTKRILAZUPK-UHFFFAOYSA-N 1 0 330.428 3.180 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000414581013 309090606 /nfs/dbraw/zinc/09/06/06/309090606.db2.gz KASAYOXPAHALIY-MRXNPFEDSA-N 1 0 329.375 3.411 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414586114 309090906 /nfs/dbraw/zinc/09/09/06/309090906.db2.gz OLKUPCTWOMFHEN-MRXNPFEDSA-N 1 0 329.375 3.411 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000296491716 308433518 /nfs/dbraw/zinc/43/35/18/308433518.db2.gz ORVBACAYWPKVDT-UZMCECQYSA-N 1 0 342.386 3.300 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000301936853 308722291 /nfs/dbraw/zinc/72/22/91/308722291.db2.gz VGQOXOWFNBNHSG-LBPRGKRZSA-N 1 0 325.384 3.276 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415686088 309141058 /nfs/dbraw/zinc/14/10/58/309141058.db2.gz GBJKOJTVVGIREJ-CQSZACIVSA-N 1 0 346.431 3.251 10 5 EGBERO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000415687217 309141067 /nfs/dbraw/zinc/14/10/67/309141067.db2.gz BCKQPMIXLDHLGJ-OAHLLOKOSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415709364 309141647 /nfs/dbraw/zinc/14/16/47/309141647.db2.gz YGKFZZKJAQJSAX-NEPJUHHUSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417147657 309194991 /nfs/dbraw/zinc/19/49/91/309194991.db2.gz ZSHQWFMEKRXCJZ-STQMWFEESA-N 1 0 342.399 3.175 10 5 EGBERO N[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247150 309392193 /nfs/dbraw/zinc/39/21/93/309392193.db2.gz QCZROXMZKULOBP-MSOLQXFVSA-N 1 0 325.412 3.206 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423976437 309423425 /nfs/dbraw/zinc/42/34/25/309423425.db2.gz FYHSPBOPERGXRP-UHFFFAOYSA-N 1 0 346.412 3.079 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423983101 309423833 /nfs/dbraw/zinc/42/38/33/309423833.db2.gz VHQPKYJENHRDPB-WBVHZDCISA-N 1 0 345.443 3.322 10 5 EGBERO CC[NH+](CC)CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000434943737 309722543 /nfs/dbraw/zinc/72/25/43/309722543.db2.gz QZIMVARHLPZPPH-UHFFFAOYSA-N 1 0 326.828 3.201 10 5 EGBERO O=C(CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000450877773 310147316 /nfs/dbraw/zinc/14/73/16/310147316.db2.gz IMACMNVPOIIQBF-UHFFFAOYSA-N 1 0 342.399 3.091 10 5 EGBERO CC[C@H](NC(=O)N[C@H](C)c1nccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476219 310362559 /nfs/dbraw/zinc/36/25/59/310362559.db2.gz SPGHKFVNIMADSZ-DOMZBBRYSA-N 1 0 345.403 3.323 10 5 EGBERO CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000458491266 310506439 /nfs/dbraw/zinc/50/64/39/310506439.db2.gz FRSWFPFYIPFRQT-YOEHRIQHSA-N 1 0 348.447 3.172 10 5 EGBERO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459779699 310574976 /nfs/dbraw/zinc/57/49/76/310574976.db2.gz UOFBPZSWEYUKSJ-UHFFFAOYSA-N 1 0 337.807 3.499 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000488077981 311050239 /nfs/dbraw/zinc/05/02/39/311050239.db2.gz HNQZHRVCTVYKAY-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCOc3ccccc3)CC2)n1 ZINC000488769056 311079354 /nfs/dbraw/zinc/07/93/54/311079354.db2.gz QXWSAZYTZIJMSS-UHFFFAOYSA-N 1 0 344.415 3.287 10 5 EGBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000489083078 311092162 /nfs/dbraw/zinc/09/21/62/311092162.db2.gz YDVCGKBRUISAPR-UHFFFAOYSA-N 1 0 331.338 3.053 10 5 EGBERO C[NH2+]CCc1cc2cc[nH]c(=O)c2c2cc(Br)ccc12 ZINC000028955835 453825583 /nfs/dbraw/zinc/82/55/83/453825583.db2.gz SMMDMUMQIRYROP-UHFFFAOYSA-N 1 0 331.213 3.206 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000539609798 314323811 /nfs/dbraw/zinc/32/38/11/314323811.db2.gz MRGVPYUOHRZTFZ-KGLIPLIRSA-N 1 0 328.368 3.394 10 5 EGBERO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2nccn21 ZINC000556455549 315436561 /nfs/dbraw/zinc/43/65/61/315436561.db2.gz WBBGDQWHAJDLBC-MEDUHNTESA-N 1 0 325.372 3.111 10 5 EGBERO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569276845 316891154 /nfs/dbraw/zinc/89/11/54/316891154.db2.gz HUVIXYHDYVPNQI-PRHODGIISA-N 1 0 346.168 3.088 10 5 EGBERO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000579002373 325049167 /nfs/dbraw/zinc/04/91/67/325049167.db2.gz ZEFDFNVSUJZLKH-OAHLLOKOSA-N 1 0 327.384 3.296 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000183311535 455276969 /nfs/dbraw/zinc/27/69/69/455276969.db2.gz MBDMZMIZUILLTD-HNNXBMFYSA-N 1 0 347.459 3.276 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)o2)c1 ZINC000600679476 460566563 /nfs/dbraw/zinc/56/65/63/460566563.db2.gz XGWRPEDOZYLAKK-QGZVFWFLSA-N 1 0 327.384 3.229 10 5 EGBERO C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600707440 460575435 /nfs/dbraw/zinc/57/54/35/460575435.db2.gz BEEPZFNIJVJBEZ-BJZITVGISA-N 1 0 325.412 3.414 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728615 460581997 /nfs/dbraw/zinc/58/19/97/460581997.db2.gz VTRUURCDWFDXDN-MPKXVKKWSA-N 1 0 331.338 3.115 10 5 EGBERO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000181732173 455376937 /nfs/dbraw/zinc/37/69/37/455376937.db2.gz PWMSNHWVHLJZIQ-ZDUSSCGKSA-N 1 0 344.367 3.096 10 5 EGBERO CC[NH+](CC)CCOc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000066808995 453875658 /nfs/dbraw/zinc/87/56/58/453875658.db2.gz OWKKAJPKXMJRCM-UHFFFAOYSA-N 1 0 344.415 3.323 10 5 EGBERO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000076225346 453981210 /nfs/dbraw/zinc/98/12/10/453981210.db2.gz MEGVJAJFTKEQRX-UHFFFAOYSA-N 1 0 327.450 3.207 10 5 EGBERO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000041887958 453982689 /nfs/dbraw/zinc/98/26/89/453982689.db2.gz UQOTZOZIYHXLTE-UHFFFAOYSA-N 1 0 331.372 3.265 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120404820 454297348 /nfs/dbraw/zinc/29/73/48/454297348.db2.gz GTXUGHGGJUOIKE-DOMZBBRYSA-N 1 0 334.420 3.097 10 5 EGBERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000120438590 454303419 /nfs/dbraw/zinc/30/34/19/454303419.db2.gz SOBYWSUSDNYGCT-ZDUSSCGKSA-N 1 0 327.384 3.447 10 5 EGBERO CC[C@H](NC(=O)N[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090523484 454315894 /nfs/dbraw/zinc/31/58/94/454315894.db2.gz ICPXZKDAVKDKSG-PBHICJAKSA-N 1 0 348.447 3.220 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC000090530807 454317299 /nfs/dbraw/zinc/31/72/99/454317299.db2.gz NAXOAVBKFXZNOB-WCQYABFASA-N 1 0 332.404 3.307 10 5 EGBERO O=[N+]([O-])c1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000047265449 454349347 /nfs/dbraw/zinc/34/93/47/454349347.db2.gz DURIICJMOSPREY-UHFFFAOYSA-N 1 0 331.441 3.364 10 5 EGBERO Cc1sc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000149370431 454875776 /nfs/dbraw/zinc/87/57/76/454875776.db2.gz AESGFFZFPXJVSN-GFCCVEGCSA-N 1 0 339.461 3.349 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000154426493 454895839 /nfs/dbraw/zinc/89/58/39/454895839.db2.gz CPJNYCKUYRKLIY-LJQANCHMSA-N 1 0 348.443 3.299 10 5 EGBERO CCN(CCC[NH+](C)C)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170604973 454940286 /nfs/dbraw/zinc/94/02/86/454940286.db2.gz VUGJPRYZJAVWKH-UHFFFAOYSA-N 1 0 343.431 3.138 10 5 EGBERO CC(C)C(=O)NCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179993235 455112179 /nfs/dbraw/zinc/11/21/79/455112179.db2.gz MDAOBPIPPQSUCK-SFHVURJKSA-N 1 0 341.411 3.046 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cccc1[N+](=O)[O-] ZINC000180513127 455187242 /nfs/dbraw/zinc/18/72/42/455187242.db2.gz ZODBMVRNBOBTMW-KGLIPLIRSA-N 1 0 343.431 3.284 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000157635299 455215199 /nfs/dbraw/zinc/21/51/99/455215199.db2.gz JFPBXHNTJGAPRS-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000183345131 455280180 /nfs/dbraw/zinc/28/01/80/455280180.db2.gz RWUAXAIORHKWHT-LJQANCHMSA-N 1 0 326.396 3.385 10 5 EGBERO CC[C@@H]1[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC[N@@H+]1C ZINC000601011023 460675083 /nfs/dbraw/zinc/67/50/83/460675083.db2.gz MMJSTQXBTUXXHS-DLBZAZTESA-N 1 0 333.432 3.062 10 5 EGBERO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000283797714 455595017 /nfs/dbraw/zinc/59/50/17/455595017.db2.gz ACFVOWQDSNBGDQ-LJQANCHMSA-N 1 0 343.427 3.304 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000248643360 455724617 /nfs/dbraw/zinc/72/46/17/455724617.db2.gz NFYNJXZSEYDHNC-CABCVRRESA-N 1 0 346.431 3.302 10 5 EGBERO C[C@H](CC[NH+](C)C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278184459 455781022 /nfs/dbraw/zinc/78/10/22/455781022.db2.gz OFMZEWBZFMTIGD-CYBMUJFWSA-N 1 0 337.423 3.164 10 5 EGBERO Cc1sc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187267331 455888894 /nfs/dbraw/zinc/88/88/94/455888894.db2.gz HYKKSTHXWVDDCX-MEDUHNTESA-N 1 0 347.440 3.386 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000301272571 456076439 /nfs/dbraw/zinc/07/64/39/456076439.db2.gz YCOHJFYKHHHGET-GFCCVEGCSA-N 1 0 329.322 3.288 10 5 EGBERO CC(C)(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301270947 456076542 /nfs/dbraw/zinc/07/65/42/456076542.db2.gz JYIAWWHCHAFOFS-UHFFFAOYSA-N 1 0 326.828 3.201 10 5 EGBERO CC1CCC([NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000301741248 456204080 /nfs/dbraw/zinc/20/40/80/456204080.db2.gz LBAITIVBXZKHDD-UHFFFAOYSA-N 1 0 338.839 3.344 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000297532226 456244455 /nfs/dbraw/zinc/24/44/55/456244455.db2.gz IHQMVGOQPZLXKF-KEYYUXOJSA-N 1 0 348.447 3.028 10 5 EGBERO O=[N+]([O-])c1cc(Cl)c(NCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000302016239 456269510 /nfs/dbraw/zinc/26/95/10/456269510.db2.gz FSSALAAQEBDJNB-UHFFFAOYSA-N 1 0 348.230 3.426 10 5 EGBERO CC(C)([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000291701641 456724810 /nfs/dbraw/zinc/72/48/10/456724810.db2.gz KEZGXVVAMCYFQG-UHFFFAOYSA-N 1 0 328.368 3.391 10 5 EGBERO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CC=CCC1 ZINC000344081424 456795082 /nfs/dbraw/zinc/79/50/82/456795082.db2.gz ZYIMFTIPTLDQSY-AWEZNQCLSA-N 1 0 345.399 3.181 10 5 EGBERO CO[C@@H](C)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353766702 456897627 /nfs/dbraw/zinc/89/76/27/456897627.db2.gz IBEMUHHRKJUYRE-AWEZNQCLSA-N 1 0 346.431 3.241 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000354393604 457195604 /nfs/dbraw/zinc/19/56/04/457195604.db2.gz LEGUBXBCVWXSEE-OLZOCXBDSA-N 1 0 344.415 3.021 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000342282089 457210325 /nfs/dbraw/zinc/21/03/25/457210325.db2.gz NROMNMHKTCLSFM-RYUDHWBXSA-N 1 0 334.372 3.376 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000356951337 457240390 /nfs/dbraw/zinc/24/03/90/457240390.db2.gz ADXYWUWCJPFZCV-UHFFFAOYSA-N 1 0 331.416 3.003 10 5 EGBERO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000351657109 457308197 /nfs/dbraw/zinc/30/81/97/457308197.db2.gz YSMCLWFGCQRECL-UHFFFAOYSA-N 1 0 338.383 3.120 10 5 EGBERO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347356798 457371457 /nfs/dbraw/zinc/37/14/57/457371457.db2.gz XKGVBPCBMLDGAV-PXAZEXFGSA-N 1 0 340.383 3.058 10 5 EGBERO Cc1ccncc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361422579 457727067 /nfs/dbraw/zinc/72/70/67/457727067.db2.gz NEYKPKMBXKITHG-UHFFFAOYSA-N 1 0 342.399 3.067 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371829336 458090584 /nfs/dbraw/zinc/09/05/84/458090584.db2.gz SPLIKMPGSLSGTH-FDPSAONLSA-N 1 0 343.427 3.085 10 5 EGBERO CC[NH+](CC)CC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436314616 458286992 /nfs/dbraw/zinc/28/69/92/458286992.db2.gz YSJLLTDMWGQPMT-UHFFFAOYSA-N 1 0 332.448 3.121 10 5 EGBERO Cc1c(NC(=O)NCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000502361566 458646051 /nfs/dbraw/zinc/64/60/51/458646051.db2.gz AQEYJDUORZDUNI-UHFFFAOYSA-N 1 0 334.420 3.289 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470959458 458669768 /nfs/dbraw/zinc/66/97/68/458669768.db2.gz NUZBYDAOMXGZAG-ZYHUDNBSSA-N 1 0 348.321 3.255 10 5 EGBERO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000441015751 458877159 /nfs/dbraw/zinc/87/71/59/458877159.db2.gz KZPVABCDEHLFTK-IFXJQAMLSA-N 1 0 326.396 3.461 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000441432320 458941720 /nfs/dbraw/zinc/94/17/20/458941720.db2.gz DOFQMHOHHURJGD-MRXNPFEDSA-N 1 0 334.416 3.397 10 5 EGBERO O=[N+]([O-])c1ccccc1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000468005687 458995683 /nfs/dbraw/zinc/99/56/83/458995683.db2.gz QDDYGTPIBISAHL-UHFFFAOYSA-N 1 0 326.396 3.475 10 5 EGBERO CC[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509511 459067744 /nfs/dbraw/zinc/06/77/44/459067744.db2.gz JETAPMAIRMJMBD-AFIMGQEJSA-N 1 0 335.448 3.133 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000577969229 459124757 /nfs/dbraw/zinc/12/47/57/459124757.db2.gz CNGVURHHNVSNIO-GFCCVEGCSA-N 1 0 339.823 3.017 10 5 EGBERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532967236 459166752 /nfs/dbraw/zinc/16/67/52/459166752.db2.gz OORPMFJGKUOJLE-HNNXBMFYSA-N 1 0 331.416 3.139 10 5 EGBERO COc1cc(C[NH2+]CC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000594976963 459202614 /nfs/dbraw/zinc/20/26/14/459202614.db2.gz IINTZIFUEVWITF-AWEZNQCLSA-N 1 0 330.331 3.137 10 5 EGBERO COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595069164 459236370 /nfs/dbraw/zinc/23/63/70/459236370.db2.gz NLRZWGZWDBZNBE-MSOLQXFVSA-N 1 0 334.416 3.003 10 5 EGBERO CSc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000595479563 459317836 /nfs/dbraw/zinc/31/78/36/459317836.db2.gz FFYFDDWRXZUKQT-UHFFFAOYSA-N 1 0 332.429 3.350 10 5 EGBERO COCC1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000582162259 459318381 /nfs/dbraw/zinc/31/83/81/459318381.db2.gz HOWVOXQBXFPNTC-UHFFFAOYSA-N 1 0 331.416 3.413 10 5 EGBERO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000595581220 459353925 /nfs/dbraw/zinc/35/39/25/459353925.db2.gz KYUQSIMRKRRZNT-LSDHHAIUSA-N 1 0 348.447 3.075 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688427 459396962 /nfs/dbraw/zinc/39/69/62/459396962.db2.gz GHVGZKPPSQUFLK-HDICACEKSA-N 1 0 334.416 3.240 10 5 EGBERO COc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1[N+](=O)[O-] ZINC000596075191 459509494 /nfs/dbraw/zinc/50/94/94/459509494.db2.gz FLPYZJFCLNMWBU-WCQYABFASA-N 1 0 325.796 3.296 10 5 EGBERO CC[N@@H+]1CCC[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596093703 459516932 /nfs/dbraw/zinc/51/69/32/459516932.db2.gz DXJRYUNYJAKAHR-LLVKDONJSA-N 1 0 327.812 3.401 10 5 EGBERO CCC1(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000583344246 459524685 /nfs/dbraw/zinc/52/46/85/459524685.db2.gz DRKHHRBKTJLHIR-UHFFFAOYSA-N 1 0 331.416 3.415 10 5 EGBERO C[C@H]1CC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000592132858 459532852 /nfs/dbraw/zinc/53/28/52/459532852.db2.gz OFEXYPPLVOCVIF-LEUOFYLZSA-N 1 0 348.443 3.268 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CSc3ccccc3O2)c(F)c1 ZINC000592370567 459582109 /nfs/dbraw/zinc/58/21/09/459582109.db2.gz RQZIRCGEMRAQKO-ZDUSSCGKSA-N 1 0 334.372 3.377 10 5 EGBERO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392393 459588871 /nfs/dbraw/zinc/58/88/71/459588871.db2.gz QMEUITKUARRHET-XHDPSFHLSA-N 1 0 338.358 3.299 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479427 459609643 /nfs/dbraw/zinc/60/96/43/459609643.db2.gz YAKHRJFKSFKHED-YJBOKZPZSA-N 1 0 347.459 3.346 10 5 EGBERO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596652337 459715955 /nfs/dbraw/zinc/71/59/55/459715955.db2.gz PRBGXAJPDKPXRM-YESZJQIVSA-N 1 0 341.415 3.134 10 5 EGBERO Cn1ccc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000545519012 459836389 /nfs/dbraw/zinc/83/63/89/459836389.db2.gz NDDYVLSVYUUEOX-LJQANCHMSA-N 1 0 336.395 3.250 10 5 EGBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476727 459901034 /nfs/dbraw/zinc/90/10/34/459901034.db2.gz YBBSZOKFKQFGGU-ZFWWWQNUSA-N 1 0 326.400 3.206 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1(CO)CCC1 ZINC000593692157 459953300 /nfs/dbraw/zinc/95/33/00/459953300.db2.gz OXHHSZGXCWWEIH-WBVHZDCISA-N 1 0 332.444 3.448 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725629 459965645 /nfs/dbraw/zinc/96/56/45/459965645.db2.gz UDGNPULDCKVPFM-BLLLJJGKSA-N 1 0 327.384 3.022 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594041974 460069440 /nfs/dbraw/zinc/06/94/40/460069440.db2.gz LDKHRADPCRERQU-WMLDXEAASA-N 1 0 349.431 3.169 10 5 EGBERO COc1ccc(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1F ZINC000598996535 460122330 /nfs/dbraw/zinc/12/23/30/460122330.db2.gz JTYVFUGQPSSGKD-UHFFFAOYSA-N 1 0 334.347 3.473 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000599025187 460130815 /nfs/dbraw/zinc/13/08/15/460130815.db2.gz LUOIJVCJTWWRDJ-HNNXBMFYSA-N 1 0 326.400 3.208 10 5 EGBERO CC[NH+](CC)C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599052513 460140946 /nfs/dbraw/zinc/14/09/46/460140946.db2.gz OFLJJWPVGVUIQJ-CQSZACIVSA-N 1 0 328.416 3.311 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000599093063 460159706 /nfs/dbraw/zinc/15/97/06/460159706.db2.gz UQHFHKMBVUPXCG-KGLIPLIRSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4cnccc4c3)C2)nc1 ZINC000618813124 460187058 /nfs/dbraw/zinc/18/70/58/460187058.db2.gz WTTWMHUENVXECJ-QGZVFWFLSA-N 1 0 349.394 3.224 10 5 EGBERO C[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000611712923 460436402 /nfs/dbraw/zinc/43/64/02/460436402.db2.gz STBUTAOKNHBKRS-ZWKOTPCHSA-N 1 0 349.394 3.395 10 5 EGBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600230390 460450112 /nfs/dbraw/zinc/45/01/12/460450112.db2.gz SBFDBBRJLGFLPS-GOSISDBHSA-N 1 0 345.443 3.051 10 5 EGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600471255 460501280 /nfs/dbraw/zinc/50/12/80/460501280.db2.gz KGCQPPJDXYUWLZ-HNNXBMFYSA-N 1 0 343.383 3.088 10 5 EGBERO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000601227439 460757990 /nfs/dbraw/zinc/75/79/90/460757990.db2.gz NVTOBJMFUUOVDH-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000646937630 461458626 /nfs/dbraw/zinc/45/86/26/461458626.db2.gz PDMBAZXRQLCXHQ-KXBFYZLASA-N 1 0 331.419 3.164 10 5 EGBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187916973 534264380 /nfs/dbraw/zinc/26/43/80/534264380.db2.gz REEIZEKJCPSAGZ-ACJLOTCBSA-N 1 0 345.399 3.233 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000185519138 527527635 /nfs/dbraw/zinc/52/76/35/527527635.db2.gz ROYYRPQMQOAWJN-NTCAYCPXSA-N 1 0 345.443 3.235 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000186279805 527844505 /nfs/dbraw/zinc/84/45/05/527844505.db2.gz GSECBIWNQDLWFP-IAOVAPTHSA-N 1 0 334.416 3.220 10 5 EGBERO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351930830 536757178 /nfs/dbraw/zinc/75/71/78/536757178.db2.gz JZNJAEBVFXBTMI-INIZCTEOSA-N 1 0 333.432 3.054 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727770982 574689272 /nfs/dbraw/zinc/68/92/72/574689272.db2.gz UNSVREGVLCWWHD-SNVBAGLBSA-N 1 0 328.800 3.100 10 5 EGBERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735221128 575618464 /nfs/dbraw/zinc/61/84/64/575618464.db2.gz IBDWZDYKDGEESG-KRWDZBQOSA-N 1 0 344.342 3.165 10 5 EGBERO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000744429730 576828009 /nfs/dbraw/zinc/82/80/09/576828009.db2.gz ZZCIOFBFYFNTDK-QWRGUYRKSA-N 1 0 325.796 3.307 10 5 EGBERO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872080687 1296722593 /nfs/dbraw/zinc/72/25/93/1296722593.db2.gz YCILHOIXDUSVFH-TZMCWYRMSA-N 1 0 348.374 3.169 10 5 EGBERO CC(C)OC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000872118009 1296744302 /nfs/dbraw/zinc/74/43/02/1296744302.db2.gz YUMOXSKOLKWAJU-AWEZNQCLSA-N 1 0 349.431 3.249 10 5 EGBERO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129812 1296753984 /nfs/dbraw/zinc/75/39/84/1296753984.db2.gz WDTKQAOENMNFFT-CABCVRRESA-N 1 0 333.432 3.427 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000872220136 1296823957 /nfs/dbraw/zinc/82/39/57/1296823957.db2.gz FJGRNGQDFMDPRP-IYOUNJFTSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000872230716 1296833366 /nfs/dbraw/zinc/83/33/66/1296833366.db2.gz HVMLKERAORRAFR-NWANDNLSSA-N 1 0 344.333 3.363 10 5 EGBERO O=[N+]([O-])c1cc(Cl)nc(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC000715645887 1298282975 /nfs/dbraw/zinc/28/29/75/1298282975.db2.gz XOYGDNYHQWOQMF-UHFFFAOYSA-N 1 0 332.791 3.187 10 5 EGBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000893023715 1305663652 /nfs/dbraw/zinc/66/36/52/1305663652.db2.gz HFSSJQKNCMOBSZ-QWHCGFSZSA-N 1 0 337.395 3.069 10 5 EGBERO [NH3+][C@H]1CC[C@H](N(Cc2ccc([N+](=O)[O-])cc2F)c2ccccn2)CC1 ZINC000895110191 1309194896 /nfs/dbraw/zinc/19/48/96/1309194896.db2.gz CMXQVBMJBHMDHX-SHTZXODSSA-N 1 0 344.390 3.405 10 5 EGBERO Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000858459745 1328767472 /nfs/dbraw/zinc/76/74/72/1328767472.db2.gz JZOFTUQBCMCHNU-GXTWGEPZSA-N 1 0 327.384 3.140 10 5 EGBERO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000931746630 1329176645 /nfs/dbraw/zinc/17/66/45/1329176645.db2.gz QDQSHGPXKFPPGQ-PHIMTYICSA-N 1 0 343.246 3.152 10 5 EGBERO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc2ccccc21 ZINC000925565150 1325212589 /nfs/dbraw/zinc/21/25/89/1325212589.db2.gz PJWHKJQNDBTIBU-ZDUSSCGKSA-N 1 0 340.383 3.304 10 5 EGBERO COc1ccnc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000926439488 1325554486 /nfs/dbraw/zinc/55/44/86/1325554486.db2.gz JXYJCHREJLVDLZ-GFCCVEGCSA-N 1 0 340.383 3.373 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000928012248 1328172184 /nfs/dbraw/zinc/17/21/84/1328172184.db2.gz CQCJCUVFKXJMLM-UHFFFAOYSA-N 1 0 345.443 3.051 10 5 EGBERO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000865786800 1329738329 /nfs/dbraw/zinc/73/83/29/1329738329.db2.gz CNKSCSQNBUJRDA-UHFFFAOYSA-N 1 0 340.383 3.495 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865785463 1329738424 /nfs/dbraw/zinc/73/84/24/1329738424.db2.gz UGWAVAOHSPELIO-YOEHRIQHSA-N 1 0 334.416 3.146 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000866539786 1330123724 /nfs/dbraw/zinc/12/37/24/1330123724.db2.gz GOQHIEQRRCHAJU-CQSZACIVSA-N 1 0 341.411 3.456 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866562586 1330126826 /nfs/dbraw/zinc/12/68/26/1330126826.db2.gz FSSPJUSDBWMQHR-KPZWWZAWSA-N 1 0 326.400 3.014 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1c2ccccc2CN1C ZINC000866563724 1330127235 /nfs/dbraw/zinc/12/72/35/1330127235.db2.gz OIWSQBKKFFZUQB-YJYMSZOUSA-N 1 0 343.402 3.441 10 5 EGBERO C[C@H](CCNc1ncc([N+](=O)[O-])cc1F)[N@H+](C)Cc1ccccc1 ZINC001185640102 1387766901 /nfs/dbraw/zinc/76/69/01/1387766901.db2.gz OAQSJMVMMRCTAV-CYBMUJFWSA-N 1 0 332.379 3.451 10 5 EGBERO C[C@@H]1CCC[C@H]([N@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001190682914 1367327192 /nfs/dbraw/zinc/32/71/92/1367327192.db2.gz PXDYWABPXUXTQB-YCPHGPKFSA-N 1 0 334.416 3.319 10 5 EGBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001186905449 1388026716 /nfs/dbraw/zinc/02/67/16/1388026716.db2.gz GEIWPPAECVAVSC-BZUAXINKSA-N 1 0 340.427 3.478 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC001326014070 1388101223 /nfs/dbraw/zinc/10/12/23/1388101223.db2.gz QJNUHWXJXHRMRE-KBAYOESNSA-N 1 0 348.443 3.127 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(/C=C/[C@H]2CCC[NH2+]C2)n1 ZINC001119002821 1371264085 /nfs/dbraw/zinc/26/40/85/1371264085.db2.gz XGHBYEQRMFJYCR-URWSZGRFSA-N 1 0 328.372 3.274 10 5 EGBERO CCc1nc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c[nH]1 ZINC001187739604 1388153737 /nfs/dbraw/zinc/15/37/37/1388153737.db2.gz BKQZJYKHWIXSDN-UHFFFAOYSA-N 1 0 332.751 3.089 10 5 EGBERO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC001141546824 1378342472 /nfs/dbraw/zinc/34/24/72/1378342472.db2.gz JOOCGZABCOOFNT-INIZCTEOSA-N 1 0 333.432 3.144 10 5 EGBERO CC(C)[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001163942045 1383138016 /nfs/dbraw/zinc/13/80/16/1383138016.db2.gz IYTGPKAYMCQQIT-CQSZACIVSA-N 1 0 342.237 3.134 10 5 EGBERO CC(C)[C@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001167648365 1383697924 /nfs/dbraw/zinc/69/79/24/1383697924.db2.gz UECHEDKTEPOLHJ-HXUWFJFHSA-N 1 0 340.423 3.497 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccc(Cl)cc3)C2)nc1 ZINC001167778552 1383738389 /nfs/dbraw/zinc/73/83/89/1383738389.db2.gz GTHXZZIJKIBEIV-OAHLLOKOSA-N 1 0 346.818 3.372 10 5 EGBERO C[NH+](C)CCc1ccc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC001306957660 1383925538 /nfs/dbraw/zinc/92/55/38/1383925538.db2.gz AKTJLWNKJHGEFQ-UHFFFAOYSA-N 1 0 325.372 3.319 10 5 EGBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H](C)C1 ZINC001307842826 1384040809 /nfs/dbraw/zinc/04/08/09/1384040809.db2.gz RTGVJBFDUJHHCY-QLFBSQMISA-N 1 0 345.443 3.288 10 5 EGBERO COc1cc(C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])cc1F ZINC001308118613 1384096584 /nfs/dbraw/zinc/09/65/84/1384096584.db2.gz JTBRELBMGNYJHO-MHMFGPJMSA-N 1 0 332.375 3.387 10 5 EGBERO CCC(CC)C(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001316929572 1384699995 /nfs/dbraw/zinc/69/99/95/1384699995.db2.gz RDIZEBVKFALCDZ-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400827 1386104317 /nfs/dbraw/zinc/10/43/17/1386104317.db2.gz UYLRGHFJYUUFKK-LIRRHRJNSA-N 1 0 344.411 3.200 10 5 EGBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCCCCC1 ZINC001321041443 1386791911 /nfs/dbraw/zinc/79/19/11/1386791911.db2.gz LPQGTJDFXVUWHV-AATRIKPKSA-N 1 0 343.427 3.247 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001180535064 1386828936 /nfs/dbraw/zinc/82/89/36/1386828936.db2.gz VXXRUIFZVZRBQQ-SJLPKXTDSA-N 1 0 345.443 3.238 10 5 EGBERO CC(C)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001482208527 1394802272 /nfs/dbraw/zinc/80/22/72/1394802272.db2.gz GANKXSXKHUUPAF-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CC(=O)N(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001485770693 1396146848 /nfs/dbraw/zinc/14/68/48/1396146848.db2.gz VREFHMUCWIJOPY-UHFFFAOYSA-N 1 0 341.411 3.123 10 5 EGBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCCCC1 ZINC001493472542 1396340503 /nfs/dbraw/zinc/34/05/03/1396340503.db2.gz OLAYTPFVZVQOJJ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(C)c1 ZINC001699168790 1412549386 /nfs/dbraw/zinc/54/93/86/1412549386.db2.gz WFZYVBJVVLKIOL-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001713204749 1417775424 /nfs/dbraw/zinc/77/54/24/1417775424.db2.gz GQTVJJAZXCMCGK-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001733086008 1429237916 /nfs/dbraw/zinc/23/79/16/1429237916.db2.gz NEODTAGIEIYUHX-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CCC1(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC001714670349 1419460321 /nfs/dbraw/zinc/46/03/21/1419460321.db2.gz TVAWKNCHKDHOMQ-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC(C)=CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001715294211 1420001758 /nfs/dbraw/zinc/00/17/58/1420001758.db2.gz KHQMMCQIVYGZLS-UHFFFAOYSA-N 1 0 337.445 3.141 10 5 EGBERO O=C(CC1CCCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001717146554 1421139011 /nfs/dbraw/zinc/13/90/11/1421139011.db2.gz KWDCAORGYIFOMA-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC(C)(C)CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001724780999 1425145873 /nfs/dbraw/zinc/14/58/73/1425145873.db2.gz QHYDNFMDTUZCOS-UHFFFAOYSA-N 1 0 339.461 3.221 10 5 EGBERO CCc1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001731776998 1427895122 /nfs/dbraw/zinc/89/51/22/1427895122.db2.gz PFZVMAWLWFGTFE-UHFFFAOYSA-N 1 0 347.440 3.081 10 5 EGBERO C[C@]1(C[N+](C)(C)C)COC(c2ccccc2)(c2ccccc2)CO1 ZINC000199486820 717158964 /nfs/dbraw/zinc/15/89/64/717158964.db2.gz ZEKOHXPWXZDUAC-FQEVSTJZSA-N 1 0 326.460 3.442 10 5 EGBERO CC[C@H](NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000132287478 529527198 /nfs/dbraw/zinc/52/71/98/529527198.db2.gz HBRVAAFJFMIBPZ-JQFCIGGWSA-N 1 0 348.447 3.074 10 5 EGBERO CC[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000370619516 168519639 /nfs/dbraw/zinc/51/96/39/168519639.db2.gz ASEBQRIJBQOWCH-SFHVURJKSA-N 1 0 326.396 3.165 10 5 EGBERO CCC[C@H](O)C[NH2+][C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000036160144 213073730 /nfs/dbraw/zinc/07/37/30/213073730.db2.gz RTOSXIYEIGYXPT-GJZGRUSLSA-N 1 0 348.403 3.093 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CC=Cc1ccccc1[N+](=O)[O-] ZINC000264098266 246062101 /nfs/dbraw/zinc/06/21/01/246062101.db2.gz XXXUIVSTFIDDKT-CSPWOOARSA-N 1 0 325.368 3.376 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000265996430 248009696 /nfs/dbraw/zinc/00/96/96/248009696.db2.gz NXBULZJRJZEWCL-DOMZBBRYSA-N 1 0 345.399 3.143 10 5 EGBERO CCOC(=O)[C@@H]1CCC[C@H]1[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095457021 218399335 /nfs/dbraw/zinc/39/93/35/218399335.db2.gz QFRVEVKHKCAMSG-IAGOWNOFSA-N 1 0 332.400 3.291 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000174012587 152834712 /nfs/dbraw/zinc/83/47/12/152834712.db2.gz HCXMBSIGOJIZAQ-OLZOCXBDSA-N 1 0 335.404 3.052 10 5 EGBERO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235171167 153448363 /nfs/dbraw/zinc/44/83/63/153448363.db2.gz WRSYOVNEDQUJHI-MNOVXSKESA-N 1 0 342.237 3.229 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000043149624 292293693 /nfs/dbraw/zinc/29/36/93/292293693.db2.gz CIRQJJIFLLZCTP-KRWDZBQOSA-N 1 0 342.399 3.328 10 5 EGBERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000340154563 155115524 /nfs/dbraw/zinc/11/55/24/155115524.db2.gz IGQQGRQYTABJHP-HNNXBMFYSA-N 1 0 340.427 3.398 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248657424 163026645 /nfs/dbraw/zinc/02/66/45/163026645.db2.gz XHXJTLZMKIONIP-GOEBONIOSA-N 1 0 348.447 3.406 10 5 EGBERO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249562105 163064033 /nfs/dbraw/zinc/06/40/33/163064033.db2.gz LXAYCVBWXJCKJT-CHWSQXEVSA-N 1 0 336.388 3.003 10 5 EGBERO C[C@H]1CCCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343880701 164057185 /nfs/dbraw/zinc/05/71/85/164057185.db2.gz GLXOMWOWAJRNEZ-ZDUSSCGKSA-N 1 0 333.388 3.157 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344031719 164087257 /nfs/dbraw/zinc/08/72/57/164087257.db2.gz CVCWZTRQBUQUHX-UONOGXRCSA-N 1 0 347.415 3.219 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346084230 164333758 /nfs/dbraw/zinc/33/37/58/164333758.db2.gz JYFYSCFLNBSKLD-RYUDHWBXSA-N 1 0 339.823 3.241 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000355656708 166274570 /nfs/dbraw/zinc/27/45/70/166274570.db2.gz KKVZANMRZWOMQW-UVTDQMKNSA-N 1 0 330.384 3.394 10 5 EGBERO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311435 167122738 /nfs/dbraw/zinc/12/27/38/167122738.db2.gz UKMBPBLTHGYNKC-ACJLOTCBSA-N 1 0 332.400 3.473 10 5 EGBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359538912 167184270 /nfs/dbraw/zinc/18/42/70/167184270.db2.gz BDOLCLLMRBRHNB-QWQRMKEZSA-N 1 0 331.416 3.434 10 5 EGBERO COc1ccc(NC(=O)CC[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000177523354 265261334 /nfs/dbraw/zinc/26/13/34/265261334.db2.gz BKTAWTRMNPSCNY-KBPBESRZSA-N 1 0 347.415 3.054 10 5 EGBERO Cn1cccc1[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635403 266332140 /nfs/dbraw/zinc/33/21/40/266332140.db2.gz HDMIFGWDPWDQCD-MSOLQXFVSA-N 1 0 329.400 3.194 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000273435959 267038949 /nfs/dbraw/zinc/03/89/49/267038949.db2.gz MDFMDMRIOQKPNA-HNNXBMFYSA-N 1 0 341.415 3.278 10 5 EGBERO C[C@H]([NH3+])CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000063171468 274503162 /nfs/dbraw/zinc/50/31/62/274503162.db2.gz RMJGWKFZJNNYHX-QMMMGPOBSA-N 1 0 339.193 3.055 10 5 EGBERO COc1ccc(CNCc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000278597274 275257708 /nfs/dbraw/zinc/25/77/08/275257708.db2.gz HMEYQIGPODSTLZ-UHFFFAOYSA-N 1 0 347.318 3.369 10 5 EGBERO CC[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000282009714 275595918 /nfs/dbraw/zinc/59/59/18/275595918.db2.gz VVFMBEWSOUGBCM-KRWDZBQOSA-N 1 0 348.447 3.173 10 5 EGBERO COc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000126975459 277825467 /nfs/dbraw/zinc/82/54/67/277825467.db2.gz URADZBVCYNAVPP-ZDUSSCGKSA-N 1 0 337.395 3.197 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000359088667 280399359 /nfs/dbraw/zinc/39/93/59/280399359.db2.gz AEBXDNUCKXFTKG-ZBFHGGJFSA-N 1 0 330.432 3.060 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000292952211 308083611 /nfs/dbraw/zinc/08/36/11/308083611.db2.gz KPZKHJJDVPARGY-UHFFFAOYSA-N 1 0 325.290 3.341 10 5 EGBERO CN(C)C(=O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000414487879 309083830 /nfs/dbraw/zinc/08/38/30/309083830.db2.gz PUNJOLXMJQKXBF-UHFFFAOYSA-N 1 0 345.424 3.034 10 5 EGBERO Cc1cc(Cl)c(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000295394398 308321901 /nfs/dbraw/zinc/32/19/01/308321901.db2.gz YTRPFEBYJHLGOI-UHFFFAOYSA-N 1 0 348.790 3.300 10 5 EGBERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000299666993 308683765 /nfs/dbraw/zinc/68/37/65/308683765.db2.gz RWNGKMQNVUIOCN-UHFFFAOYSA-N 1 0 345.399 3.009 10 5 EGBERO O=[N+]([O-])c1ccccc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397666071 308904569 /nfs/dbraw/zinc/90/45/69/308904569.db2.gz GDGAOXUCPLJDHW-UHFFFAOYSA-N 1 0 341.411 3.034 10 5 EGBERO Cc1sc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC000412563467 308991385 /nfs/dbraw/zinc/99/13/85/308991385.db2.gz ZWTWLJCXGZHABN-UHFFFAOYSA-N 1 0 337.376 3.418 10 5 EGBERO C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415700880 309141373 /nfs/dbraw/zinc/14/13/73/309141373.db2.gz NFXJFCOGDHCUBK-STQMWFEESA-N 1 0 348.447 3.341 10 5 EGBERO C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000417147656 309195069 /nfs/dbraw/zinc/19/50/69/309195069.db2.gz ZSHQWFMEKRXCJZ-QWHCGFSZSA-N 1 0 342.399 3.175 10 5 EGBERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420254360 309278178 /nfs/dbraw/zinc/27/81/78/309278178.db2.gz DBMBGUZOHBBAMP-PWSUYJOCSA-N 1 0 329.322 3.110 10 5 EGBERO Cc1c(Cc2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)cccc1[N+](=O)[O-] ZINC000420488250 309287983 /nfs/dbraw/zinc/28/79/83/309287983.db2.gz PZEFNMIITNWOBP-FZMZJTMJSA-N 1 0 330.388 3.075 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433068357 309677670 /nfs/dbraw/zinc/67/76/70/309677670.db2.gz OUHXOWJNSSBCKZ-HNNXBMFYSA-N 1 0 332.444 3.448 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000438912809 309822236 /nfs/dbraw/zinc/82/22/36/309822236.db2.gz PNIRBFOBXPCWBA-UHFFFAOYSA-N 1 0 347.459 3.026 10 5 EGBERO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538889 309981312 /nfs/dbraw/zinc/98/13/12/309981312.db2.gz DSXCSECXMMXUIA-VYDXJSESSA-N 1 0 338.452 3.052 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC1CCOCC1 ZINC000449354589 310056011 /nfs/dbraw/zinc/05/60/11/310056011.db2.gz PIARLONAAUMFOO-AWEZNQCLSA-N 1 0 349.431 3.108 10 5 EGBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449514424 310068505 /nfs/dbraw/zinc/06/85/05/310068505.db2.gz WFXWFUNEKGXRIX-BMFZPTHFSA-N 1 0 334.416 3.237 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449533949 310069815 /nfs/dbraw/zinc/06/98/15/310069815.db2.gz GBOUJCVRDNLQQQ-CRAIPNDOSA-N 1 0 343.383 3.008 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449533950 310069854 /nfs/dbraw/zinc/06/98/54/310069854.db2.gz GBOUJCVRDNLQQQ-MAUKXSAKSA-N 1 0 343.383 3.008 10 5 EGBERO C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])nc1 ZINC000450382133 310119285 /nfs/dbraw/zinc/11/92/85/310119285.db2.gz WGPTULWDPSCZRY-UHFFFAOYSA-N 1 0 334.807 3.211 10 5 EGBERO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000484646595 310967814 /nfs/dbraw/zinc/96/78/14/310967814.db2.gz XXNWUBKSLAYJRR-SJORKVTESA-N 1 0 344.415 3.080 10 5 EGBERO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489857191 311122633 /nfs/dbraw/zinc/12/26/33/311122633.db2.gz LARJPAFGDCEQFO-UHFFFAOYSA-N 1 0 325.796 3.451 10 5 EGBERO C[C@](O)(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492044199 311211761 /nfs/dbraw/zinc/21/17/61/311211761.db2.gz OQYQKYCTNAAQOE-OALUTQOASA-N 1 0 326.396 3.435 10 5 EGBERO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000492853993 311299184 /nfs/dbraw/zinc/29/91/84/311299184.db2.gz SILQPJIWMYFBFY-UHFFFAOYSA-N 1 0 328.368 3.391 10 5 EGBERO COc1cccc([C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000505635575 312029115 /nfs/dbraw/zinc/02/91/15/312029115.db2.gz KCZIRORPWHJMSG-OAHLLOKOSA-N 1 0 341.411 3.487 10 5 EGBERO CCC[NH+]1CCC(CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000514638704 312235481 /nfs/dbraw/zinc/23/54/81/312235481.db2.gz KOICKQBVQONWAA-UHFFFAOYSA-N 1 0 325.384 3.276 10 5 EGBERO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382463828 324250533 /nfs/dbraw/zinc/25/05/33/324250533.db2.gz YSRNMUPQEOIUGF-VHSXEESVSA-N 1 0 328.210 3.348 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1NCC1CC[NH+](C3CC3)CC1)CCCC2 ZINC000579001867 325048568 /nfs/dbraw/zinc/04/85/68/325048568.db2.gz VYAGDGPILPDUEY-UHFFFAOYSA-N 1 0 330.432 3.155 10 5 EGBERO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccn(C)n1 ZINC000582987116 325485692 /nfs/dbraw/zinc/48/56/92/325485692.db2.gz IKQCJETZMZRRAI-OAHLLOKOSA-N 1 0 327.388 3.093 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000181355561 455322977 /nfs/dbraw/zinc/32/29/77/455322977.db2.gz FOPKLAFTAHKLCQ-BBRMVZONSA-N 1 0 348.374 3.133 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000600707452 460575238 /nfs/dbraw/zinc/57/52/38/460575238.db2.gz HPZVFFYXCHDDAH-CZUORRHYSA-N 1 0 335.473 3.340 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN1CCCc2cccc(C[NH3+])c21 ZINC000600721688 460579452 /nfs/dbraw/zinc/57/94/52/460579452.db2.gz FAJXAPUNQCKSKX-UHFFFAOYSA-N 1 0 327.384 3.015 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[NH2+]C34CCC4)cs2)c1 ZINC000600768414 460596298 /nfs/dbraw/zinc/59/62/98/460596298.db2.gz GKVYZHXTKFJUDN-HNNXBMFYSA-N 1 0 344.440 3.093 10 5 EGBERO COC(=O)c1ccc(-c2cccc(C[C@H]3CC[NH2+]C3)c2)c([N+](=O)[O-])c1 ZINC000600783181 460601785 /nfs/dbraw/zinc/60/17/85/460601785.db2.gz DPOZXIUNHNGXJM-CQSZACIVSA-N 1 0 340.379 3.200 10 5 EGBERO COC(=O)c1cc(-c2cc(C)c3c(c2)CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000600787939 460603894 /nfs/dbraw/zinc/60/38/94/460603894.db2.gz IGUCFMDJXRONFI-UHFFFAOYSA-N 1 0 326.352 3.003 10 5 EGBERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000246082035 455423703 /nfs/dbraw/zinc/42/37/03/455423703.db2.gz DSRRBQKNJYFTJO-XFJVYGCCSA-N 1 0 336.363 3.040 10 5 EGBERO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000071817006 454224119 /nfs/dbraw/zinc/22/41/19/454224119.db2.gz NICLKWABWSPROR-OAHLLOKOSA-N 1 0 345.424 3.082 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000046551268 454262777 /nfs/dbraw/zinc/26/27/77/454262777.db2.gz SPMSRFWLEPXQGL-BEFAXECRSA-N 1 0 344.411 3.165 10 5 EGBERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000090666252 454333839 /nfs/dbraw/zinc/33/38/39/454333839.db2.gz ZWATVRMCYKOMCD-VIFPVBQESA-N 1 0 328.294 3.198 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000048340502 454474806 /nfs/dbraw/zinc/47/48/06/454474806.db2.gz SOXGNLHFNDNHTA-PBHICJAKSA-N 1 0 341.415 3.465 10 5 EGBERO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000051060800 454607898 /nfs/dbraw/zinc/60/78/98/454607898.db2.gz FPGVZMDULHTFTH-HOCLYGCPSA-N 1 0 333.432 3.284 10 5 EGBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000052168622 454658218 /nfs/dbraw/zinc/65/82/18/454658218.db2.gz DECVBYWGSVLQQK-MRXNPFEDSA-N 1 0 347.802 3.281 10 5 EGBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000105885410 454663547 /nfs/dbraw/zinc/66/35/47/454663547.db2.gz YDYAZCXMFGMNQL-INIZCTEOSA-N 1 0 343.431 3.024 10 5 EGBERO CC(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052357534 454669551 /nfs/dbraw/zinc/66/95/51/454669551.db2.gz SXYWIKQMXBZEIA-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000151501856 454994327 /nfs/dbraw/zinc/99/43/27/454994327.db2.gz WOFJGELSOTXXCD-CQSZACIVSA-N 1 0 337.383 3.335 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000129357917 455107909 /nfs/dbraw/zinc/10/79/09/455107909.db2.gz YEGMGPBOVTWTOU-IMJJTQAJSA-N 1 0 334.416 3.237 10 5 EGBERO CC[NH+]1CCC(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000172772765 455186306 /nfs/dbraw/zinc/18/63/06/455186306.db2.gz PASLEHZHKJCGNY-UHFFFAOYSA-N 1 0 346.431 3.013 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000157527919 455204603 /nfs/dbraw/zinc/20/46/03/455204603.db2.gz DIXHPFZOHJMACL-UHFFFAOYSA-N 1 0 339.399 3.152 10 5 EGBERO CCC[C@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180608454 455207053 /nfs/dbraw/zinc/20/70/53/455207053.db2.gz WBYQCOPCZPNAAK-HOCLYGCPSA-N 1 0 343.431 3.195 10 5 EGBERO CCC[NH+]1CCC(N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185429082 455557575 /nfs/dbraw/zinc/55/75/75/455557575.db2.gz NYDCSZKMTBCMPR-CCEZHUSRSA-N 1 0 345.443 3.331 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000185504354 455569630 /nfs/dbraw/zinc/56/96/30/455569630.db2.gz DSDQLCMPKIBWAL-YXJHDRRASA-N 1 0 347.459 3.008 10 5 EGBERO COc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000292364802 455642510 /nfs/dbraw/zinc/64/25/10/455642510.db2.gz ROWZXQAFXOZHQK-LBPRGKRZSA-N 1 0 337.395 3.053 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248621005 455723287 /nfs/dbraw/zinc/72/32/87/455723287.db2.gz COFUIRLITHVMNE-KBPBESRZSA-N 1 0 334.420 3.158 10 5 EGBERO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000278137002 455767469 /nfs/dbraw/zinc/76/74/69/455767469.db2.gz VKRMTIFCIFXFQF-AWEZNQCLSA-N 1 0 349.434 3.117 10 5 EGBERO COc1ccccc1[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000221948825 456044749 /nfs/dbraw/zinc/04/47/49/456044749.db2.gz PZBRCUUCGLBWSR-SUMWQHHRSA-N 1 0 330.384 3.330 10 5 EGBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000225548320 456092183 /nfs/dbraw/zinc/09/21/83/456092183.db2.gz QZFXXYYFKDPESA-HNNXBMFYSA-N 1 0 333.435 3.412 10 5 EGBERO CCOc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000301597416 456157387 /nfs/dbraw/zinc/15/73/87/456157387.db2.gz SSIIHYLVNIJOIY-ZBFHGGJFSA-N 1 0 333.432 3.445 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000302191474 456312324 /nfs/dbraw/zinc/31/23/24/456312324.db2.gz VUJCMRDTDOUTAZ-LBPRGKRZSA-N 1 0 325.384 3.419 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309369 456344861 /nfs/dbraw/zinc/34/48/61/456344861.db2.gz ZELMMOOYQIXXDR-IHHFWDAISA-N 1 0 336.407 3.495 10 5 EGBERO C[C@@](CO)([NH2+]Cc1ccccc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601149190 460732627 /nfs/dbraw/zinc/73/26/27/460732627.db2.gz KOMZAFQOBMICID-IBGZPJMESA-N 1 0 326.396 3.470 10 5 EGBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000340555973 456528227 /nfs/dbraw/zinc/52/82/27/456528227.db2.gz FTXZKAUDGTYLCQ-UHFFFAOYSA-N 1 0 341.477 3.405 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000338186850 456692510 /nfs/dbraw/zinc/69/25/10/456692510.db2.gz TUGNKBDEUNUSIM-VIBAHUMZSA-N 1 0 348.443 3.365 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000299641483 456752168 /nfs/dbraw/zinc/75/21/68/456752168.db2.gz NFJNIEBJQPVCAV-AWEZNQCLSA-N 1 0 333.432 3.145 10 5 EGBERO CCC[N@H+](C)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291892214 456790268 /nfs/dbraw/zinc/79/02/68/456790268.db2.gz JNWLXENMHBVVFY-AWEZNQCLSA-N 1 0 328.416 3.311 10 5 EGBERO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354085193 457051115 /nfs/dbraw/zinc/05/11/15/457051115.db2.gz HBECPOZNNUYXIB-LBPRGKRZSA-N 1 0 340.221 3.030 10 5 EGBERO Cc1ccncc1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000359929922 457154018 /nfs/dbraw/zinc/15/40/18/457154018.db2.gz NTGZGPFIPPOJDA-UHFFFAOYSA-N 1 0 349.394 3.173 10 5 EGBERO Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000354533859 457274610 /nfs/dbraw/zinc/27/46/10/457274610.db2.gz LKXDKLULHRFXND-GOEBONIOSA-N 1 0 333.432 3.345 10 5 EGBERO Cn1nc2c(c1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CCCC2 ZINC000361043826 457538428 /nfs/dbraw/zinc/53/84/28/457538428.db2.gz IJRPIAGFZLJSKX-SOFGYWHQSA-N 1 0 326.400 3.010 10 5 EGBERO CC1(C)[C@@H](O)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361078880 457568491 /nfs/dbraw/zinc/56/84/91/457568491.db2.gz JVEXXEAECFVHQI-AWEZNQCLSA-N 1 0 333.413 3.064 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411303121 457854924 /nfs/dbraw/zinc/85/49/24/457854924.db2.gz UPHMYQMNEVNKFZ-OLZOCXBDSA-N 1 0 335.404 3.052 10 5 EGBERO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000375406507 457918259 /nfs/dbraw/zinc/91/82/59/457918259.db2.gz UKESIOIKKNEZSQ-CQSZACIVSA-N 1 0 328.372 3.153 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458222892 457976493 /nfs/dbraw/zinc/97/64/93/457976493.db2.gz QWOXNBWBNXPUPW-LBPRGKRZSA-N 1 0 339.823 3.018 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412041418 458062139 /nfs/dbraw/zinc/06/21/39/458062139.db2.gz LGXPWZNOSFVJEA-GFCCVEGCSA-N 1 0 335.404 3.052 10 5 EGBERO CC[C@H](NC(=O)N1CC[N@H+](CC)C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506328 458074096 /nfs/dbraw/zinc/07/40/96/458074096.db2.gz NPKCVKOAYYDQLF-RDJZCZTQSA-N 1 0 348.447 3.172 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453195 458145873 /nfs/dbraw/zinc/14/58/73/458145873.db2.gz ARKOQBOKNGMMCK-PXAZEXFGSA-N 1 0 346.383 3.066 10 5 EGBERO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000369712867 458323289 /nfs/dbraw/zinc/32/32/89/458323289.db2.gz QJQOLYVQXXKEDZ-OIISXLGYSA-N 1 0 345.443 3.427 10 5 EGBERO COc1cccc([C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373216802 458433141 /nfs/dbraw/zinc/43/31/41/458433141.db2.gz BUXLZHBMNISWAH-CYBMUJFWSA-N 1 0 330.388 3.198 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+]C2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000459766988 458473202 /nfs/dbraw/zinc/47/32/02/458473202.db2.gz KJVACGLMELTPSI-UHFFFAOYSA-N 1 0 347.415 3.244 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493895482 458595803 /nfs/dbraw/zinc/59/58/03/458595803.db2.gz XLHMJRKXEIUFHC-UHFFFAOYSA-N 1 0 342.395 3.441 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000473516998 458832423 /nfs/dbraw/zinc/83/24/23/458832423.db2.gz FUNLHZGOUPKZPR-BBRMVZONSA-N 1 0 328.416 3.310 10 5 EGBERO C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589104 459099027 /nfs/dbraw/zinc/09/90/27/459099027.db2.gz HWYMNHGRYISIMG-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000594740402 459147860 /nfs/dbraw/zinc/14/78/60/459147860.db2.gz YAXBUCPBBKXHDE-SFHVURJKSA-N 1 0 327.384 3.176 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCO[C@@H]3CC3(F)F)o2)c1 ZINC000594971287 459201580 /nfs/dbraw/zinc/20/15/80/459201580.db2.gz ZIRXAEZKOIUEDC-OAHLLOKOSA-N 1 0 338.310 3.369 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000595074913 459238698 /nfs/dbraw/zinc/23/86/98/459238698.db2.gz WRGJGNRYZAWFPF-YNEHKIRRSA-N 1 0 347.444 3.353 10 5 EGBERO COc1ccnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1F ZINC000595082390 459239722 /nfs/dbraw/zinc/23/97/22/459239722.db2.gz ZKKKEOPIZIYNCD-CQSZACIVSA-N 1 0 345.374 3.248 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595094795 459243121 /nfs/dbraw/zinc/24/31/21/459243121.db2.gz JETORFKUHXHORI-CYBMUJFWSA-N 1 0 326.343 3.112 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470435 459314259 /nfs/dbraw/zinc/31/42/59/459314259.db2.gz NUUWLNVGIRSNGO-YMCQQKJTSA-N 1 0 336.407 3.495 10 5 EGBERO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000595523890 459334613 /nfs/dbraw/zinc/33/46/13/459334613.db2.gz VSRQDDDMOPSTLS-UHFFFAOYSA-N 1 0 349.328 3.192 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000595785759 459439901 /nfs/dbraw/zinc/43/99/01/459439901.db2.gz YSSWQOZIXYEXAK-CHWSQXEVSA-N 1 0 330.306 3.007 10 5 EGBERO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595819017 459452375 /nfs/dbraw/zinc/45/23/75/459452375.db2.gz KXGMSFMRKUOFDM-FEPKRQSRSA-N 1 0 337.395 3.428 10 5 EGBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000595831497 459456174 /nfs/dbraw/zinc/45/61/74/459456174.db2.gz DBXCDLCZWJYRTM-AWEZNQCLSA-N 1 0 332.400 3.473 10 5 EGBERO C[NH+]1CCC([C@H]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C2)CC1 ZINC000591924436 459487571 /nfs/dbraw/zinc/48/75/71/459487571.db2.gz NKIUFZNKDVKAOR-INIZCTEOSA-N 1 0 344.459 3.037 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595937892 459489116 /nfs/dbraw/zinc/48/91/16/459489116.db2.gz YPLDMTHSYWFSHX-MRXNPFEDSA-N 1 0 345.443 3.063 10 5 EGBERO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCSCC3)cc2)cn1 ZINC000569764216 459505270 /nfs/dbraw/zinc/50/52/70/459505270.db2.gz PDFIUQOHRKRLBJ-UHFFFAOYSA-N 1 0 344.440 3.325 10 5 EGBERO COc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1[N+](=O)[O-] ZINC000596075190 459509400 /nfs/dbraw/zinc/50/94/00/459509400.db2.gz FLPYZJFCLNMWBU-DGCLKSJQSA-N 1 0 325.796 3.296 10 5 EGBERO COc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596128115 459529802 /nfs/dbraw/zinc/52/98/02/459529802.db2.gz DRWTYJMIUMHYFR-NSHDSACASA-N 1 0 327.812 3.035 10 5 EGBERO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCOC1)[C@H]1CC[C@H](O)CC1 ZINC000592130323 459530128 /nfs/dbraw/zinc/53/01/28/459530128.db2.gz BVCFTJAXFGHHTF-KBAYOESNSA-N 1 0 348.443 3.127 10 5 EGBERO CN(C(=O)C[N@@H+]1CCCC[C@@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592198281 459546886 /nfs/dbraw/zinc/54/68/86/459546886.db2.gz OFKGTIBMURWRGP-QGZVFWFLSA-N 1 0 331.416 3.212 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000596314774 459593717 /nfs/dbraw/zinc/59/37/17/459593717.db2.gz PYJHYZTVVTWCFL-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO Cc1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596425518 459633552 /nfs/dbraw/zinc/63/35/52/459633552.db2.gz ZMRAGZXPSVEZLG-KRWDZBQOSA-N 1 0 341.411 3.082 10 5 EGBERO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596451815 459642111 /nfs/dbraw/zinc/64/21/11/459642111.db2.gz CFGDWQYCGHQQPL-GDBMZVCRSA-N 1 0 348.447 3.090 10 5 EGBERO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596652334 459715850 /nfs/dbraw/zinc/71/58/50/459715850.db2.gz PRBGXAJPDKPXRM-BBWFWOEESA-N 1 0 341.415 3.134 10 5 EGBERO COCCC1C[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000597184365 459866807 /nfs/dbraw/zinc/86/68/07/459866807.db2.gz SVVHDVJEDXHIKQ-UHFFFAOYSA-N 1 0 346.383 3.332 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593652693 459941246 /nfs/dbraw/zinc/94/12/46/459941246.db2.gz KNOUTFWEKIXCTI-VORVDVFJSA-N 1 0 338.407 3.074 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000593715153 459960389 /nfs/dbraw/zinc/96/03/89/459960389.db2.gz HVAXVOCYMHQASV-YWZLYKJASA-N 1 0 340.423 3.430 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593716173 459961224 /nfs/dbraw/zinc/96/12/24/459961224.db2.gz QMCPSOANNFLMIG-QRWLVFNGSA-N 1 0 340.423 3.430 10 5 EGBERO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593718838 459963105 /nfs/dbraw/zinc/96/31/05/459963105.db2.gz QGPJLJJECRYVMS-UTUOFQBUSA-N 1 0 345.424 3.238 10 5 EGBERO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044546 460070594 /nfs/dbraw/zinc/07/05/94/460070594.db2.gz RPSIGQAEPPSBPH-ZFWWWQNUSA-N 1 0 326.368 3.180 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859829 460081765 /nfs/dbraw/zinc/08/17/65/460081765.db2.gz YTUGXNYERQAYSA-AWEZNQCLSA-N 1 0 333.432 3.123 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597923183 460114160 /nfs/dbraw/zinc/11/41/60/460114160.db2.gz MLKRAJJYSBUNRF-LBPRGKRZSA-N 1 0 339.823 3.159 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599056081 460143350 /nfs/dbraw/zinc/14/33/50/460143350.db2.gz JELMEOMCMHZNMP-ZWNOBZJWSA-N 1 0 328.294 3.246 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073595 460152336 /nfs/dbraw/zinc/15/23/36/460152336.db2.gz DVSKSTALKDYUNR-SJKOYZFVSA-N 1 0 325.368 3.072 10 5 EGBERO Cn1ccnc1[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000599080503 460153840 /nfs/dbraw/zinc/15/38/40/460153840.db2.gz GZLCKYAMNMUWBZ-HIRMHNASSA-N 1 0 340.427 3.444 10 5 EGBERO COc1cc(NC[C@H]2CCCC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599140255 460172430 /nfs/dbraw/zinc/17/24/30/460172430.db2.gz AOWGRHZWGVFCCU-LLVKDONJSA-N 1 0 327.812 3.401 10 5 EGBERO CC[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156399 460181206 /nfs/dbraw/zinc/18/12/06/460181206.db2.gz BNZCBJXRAGQLCD-PBHICJAKSA-N 1 0 348.447 3.077 10 5 EGBERO Cc1nc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610755205 460231509 /nfs/dbraw/zinc/23/15/09/460231509.db2.gz PSJPNOJKGWAIPW-HNNXBMFYSA-N 1 0 340.427 3.399 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553078 460274563 /nfs/dbraw/zinc/27/45/63/460274563.db2.gz LXYILYKOHSLBRP-CABCVRRESA-N 1 0 349.456 3.202 10 5 EGBERO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599694252 460313417 /nfs/dbraw/zinc/31/34/17/460313417.db2.gz GGPDLEWQIGFQSL-HNNXBMFYSA-N 1 0 332.404 3.042 10 5 EGBERO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623339 460417613 /nfs/dbraw/zinc/41/76/13/460417613.db2.gz ZAAQCPSCRFPNCA-FZKQIMNGSA-N 1 0 332.400 3.378 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@H](O)C(F)F)c2ccccc2)c1 ZINC000601299563 460779904 /nfs/dbraw/zinc/77/99/04/460779904.db2.gz RMSVSCRGXACAJZ-CVEARBPZSA-N 1 0 336.338 3.290 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601563123 460833140 /nfs/dbraw/zinc/83/31/40/460833140.db2.gz WIJQRLZOUOPVOX-AWEZNQCLSA-N 1 0 348.447 3.172 10 5 EGBERO CC[NH+]1CCC(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611704857 469305845 /nfs/dbraw/zinc/30/58/45/469305845.db2.gz CRNCLRRLVUVSDX-UHFFFAOYSA-N 1 0 329.404 3.072 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174191178 534341974 /nfs/dbraw/zinc/34/19/74/534341974.db2.gz CPEAKYNWOSAAJZ-AGUYFDCRSA-N 1 0 332.404 3.040 10 5 EGBERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000183318025 534410188 /nfs/dbraw/zinc/41/01/88/534410188.db2.gz CKKOREQTPLCVLN-AWEZNQCLSA-N 1 0 330.388 3.049 10 5 EGBERO CC[S@@](=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000733899968 575407533 /nfs/dbraw/zinc/40/75/33/575407533.db2.gz GUZNYKKCLUMHSP-JOCHJYFZSA-N 1 0 338.454 3.182 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000870993382 1296169767 /nfs/dbraw/zinc/16/97/67/1296169767.db2.gz YJAFXQIYGSJJSL-LJQANCHMSA-N 1 0 347.459 3.096 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025063 1296669978 /nfs/dbraw/zinc/66/99/78/1296669978.db2.gz HBJOVQUWTZIADD-QWRGUYRKSA-N 1 0 349.328 3.269 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036841 1296687642 /nfs/dbraw/zinc/68/76/42/1296687642.db2.gz ZZDFFRCKSSRVKG-YNEHKIRRSA-N 1 0 337.395 3.032 10 5 EGBERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872041710 1296691373 /nfs/dbraw/zinc/69/13/73/1296691373.db2.gz KIFFANMMJFYSNL-UTIWYLSVSA-N 1 0 342.436 3.464 10 5 EGBERO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068764 1296715115 /nfs/dbraw/zinc/71/51/15/1296715115.db2.gz IGLXGSSXTKEZOY-UKRRQHHQSA-N 1 0 332.375 3.378 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075399 1296719894 /nfs/dbraw/zinc/71/98/94/1296719894.db2.gz AMIJZWIOVPVTCQ-YWPYICTPSA-N 1 0 348.378 3.038 10 5 EGBERO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCOC1 ZINC000872073658 1296720198 /nfs/dbraw/zinc/72/01/98/1296720198.db2.gz UGZWRSLILKKCLD-YOEHRIQHSA-N 1 0 331.416 3.413 10 5 EGBERO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077735 1296721457 /nfs/dbraw/zinc/72/14/57/1296721457.db2.gz AIBUAQBMCLWMBE-DGCLKSJQSA-N 1 0 336.338 3.300 10 5 EGBERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089380 1296728250 /nfs/dbraw/zinc/72/82/50/1296728250.db2.gz XWPBPLMJAPMLCX-VXGBXAGGSA-N 1 0 337.395 3.032 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872282042 1296893780 /nfs/dbraw/zinc/89/37/80/1296893780.db2.gz ZSVQCRJNWYVGIT-ZWKOTPCHSA-N 1 0 334.416 3.052 10 5 EGBERO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000585113813 1298029181 /nfs/dbraw/zinc/02/91/81/1298029181.db2.gz RTSISVZQFLLMAY-JTQLQIEISA-N 1 0 346.214 3.116 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878370861 1299952620 /nfs/dbraw/zinc/95/26/20/1299952620.db2.gz NEDAOYPTXLHBOQ-DLBZAZTESA-N 1 0 334.416 3.364 10 5 EGBERO C/C(=C\C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000889827120 1304599190 /nfs/dbraw/zinc/59/91/90/1304599190.db2.gz BDPQPGWHYVYCPS-BUHFOSPRSA-N 1 0 343.427 3.131 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000895582063 1309413055 /nfs/dbraw/zinc/41/30/55/1309413055.db2.gz DXOVZVOJOBZQKQ-NSHDSACASA-N 1 0 349.412 3.058 10 5 EGBERO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000857931594 1328631862 /nfs/dbraw/zinc/63/18/62/1328631862.db2.gz MRAGEILFQPCABX-KRWDZBQOSA-N 1 0 339.395 3.118 10 5 EGBERO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000858012327 1328657832 /nfs/dbraw/zinc/65/78/32/1328657832.db2.gz ZSJSDFHGXDXDML-INIZCTEOSA-N 1 0 327.384 3.260 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212048 1328712866 /nfs/dbraw/zinc/71/28/66/1328712866.db2.gz PHEMMGNRCRXSOH-INIZCTEOSA-N 1 0 332.787 3.479 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858472321 1328771608 /nfs/dbraw/zinc/77/16/08/1328771608.db2.gz XPYATOGYOXAFSV-WMLDXEAASA-N 1 0 330.384 3.214 10 5 EGBERO C[N@H+](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788237 1328971239 /nfs/dbraw/zinc/97/12/39/1328971239.db2.gz QWSALJIXDRPOKY-ROUUACIJSA-N 1 0 345.443 3.079 10 5 EGBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859409387 1328983613 /nfs/dbraw/zinc/98/36/13/1328983613.db2.gz QFAFRKJMWKTGLE-AWEZNQCLSA-N 1 0 341.411 3.162 10 5 EGBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC000859560482 1329017927 /nfs/dbraw/zinc/01/79/27/1329017927.db2.gz HKKSXCWAXTZUOK-ZFWWWQNUSA-N 1 0 341.411 3.303 10 5 EGBERO C/C(=C/C(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922171798 1322471471 /nfs/dbraw/zinc/47/14/71/1322471471.db2.gz MSFIADXGXGKNQR-PFONDFGASA-N 1 0 343.427 3.085 10 5 EGBERO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000931563574 1329144657 /nfs/dbraw/zinc/14/46/57/1329144657.db2.gz OAPDSOOMPLDPNU-KGLIPLIRSA-N 1 0 341.205 3.159 10 5 EGBERO CC1(C)C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2cc([N+](=O)[O-])ccc21 ZINC000926935438 1327784125 /nfs/dbraw/zinc/78/41/25/1327784125.db2.gz LZOHDUALXREAAH-SCGCMHLBSA-N 1 0 328.412 3.498 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1CC1 ZINC000926940781 1327786402 /nfs/dbraw/zinc/78/64/02/1327786402.db2.gz VUZMHLIELAKFPR-MHORFTMASA-N 1 0 328.412 3.097 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927016323 1327821634 /nfs/dbraw/zinc/82/16/34/1327821634.db2.gz KADBOLWMOUSVMZ-OLZOCXBDSA-N 1 0 338.379 3.113 10 5 EGBERO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC000927032773 1327825345 /nfs/dbraw/zinc/82/53/45/1327825345.db2.gz PJWRLQMCJCSYDE-UKRRQHHQSA-N 1 0 335.473 3.437 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCc3ccccc3CC2)cc1 ZINC000863564240 1329563403 /nfs/dbraw/zinc/56/34/03/1329563403.db2.gz UZKNTGJFOBOLFF-HXUWFJFHSA-N 1 0 340.423 3.413 10 5 EGBERO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000865787489 1329738531 /nfs/dbraw/zinc/73/85/31/1329738531.db2.gz OHRBKTZXGODREK-UHFFFAOYSA-N 1 0 345.399 3.315 10 5 EGBERO COCc1cc([N+](=O)[O-])ccc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866055395 1330060402 /nfs/dbraw/zinc/06/04/02/1330060402.db2.gz WHKAQXIYTITQFK-UHFFFAOYSA-N 1 0 333.432 3.053 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000866205966 1330078106 /nfs/dbraw/zinc/07/81/06/1330078106.db2.gz PEBGBMYRYMFNAX-GWCFXTLKSA-N 1 0 329.322 3.144 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208660 1330078448 /nfs/dbraw/zinc/07/84/48/1330078448.db2.gz WBWZYHCBCXAPHS-ZYHUDNBSSA-N 1 0 329.322 3.144 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cnc(C2CC2)nc1 ZINC000866309716 1330094127 /nfs/dbraw/zinc/09/41/27/1330094127.db2.gz JNCAASPQMPPVDQ-GFCCVEGCSA-N 1 0 344.390 3.165 10 5 EGBERO CO[C@@H](CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(F)(F)F ZINC000866346135 1330100073 /nfs/dbraw/zinc/10/00/73/1330100073.db2.gz UPRGTNMOYZNRTQ-ZANVPECISA-N 1 0 338.301 3.222 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000866513767 1330120361 /nfs/dbraw/zinc/12/03/61/1330120361.db2.gz ZDMMMUAMMUNSJJ-HNJNHCNJSA-N 1 0 336.407 3.460 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001323325637 1387338984 /nfs/dbraw/zinc/33/89/84/1387338984.db2.gz YDCZLAUKGCSKOY-CABCVRRESA-N 1 0 347.394 3.116 10 5 EGBERO Cn1cc([N+](=O)[O-])c(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC001184564319 1387492967 /nfs/dbraw/zinc/49/29/67/1387492967.db2.gz XTKVRARTAQPGTL-CQSZACIVSA-N 1 0 349.822 3.231 10 5 EGBERO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001185156941 1387628012 /nfs/dbraw/zinc/62/80/12/1387628012.db2.gz CNSDZNJEXTZOQU-LBPRGKRZSA-N 1 0 336.392 3.425 10 5 EGBERO CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC001194115479 1368185542 /nfs/dbraw/zinc/18/55/42/1368185542.db2.gz BWCPDAMQTGDJGV-INIZCTEOSA-N 1 0 349.431 3.428 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001195305692 1368417238 /nfs/dbraw/zinc/41/72/38/1368417238.db2.gz FIZOBBIKPKHPEH-HNNXBMFYSA-N 1 0 331.416 3.354 10 5 EGBERO CCC1(CC)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001196103979 1368549512 /nfs/dbraw/zinc/54/95/12/1368549512.db2.gz JOUQFLGJNZATEU-UHFFFAOYSA-N 1 0 345.443 3.386 10 5 EGBERO C/C(=C/c1ccccc1)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001203372274 1370102529 /nfs/dbraw/zinc/10/25/29/1370102529.db2.gz GXVTWZLIPBGZOO-ILCZHQDMSA-N 1 0 326.396 3.495 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001187361747 1388099226 /nfs/dbraw/zinc/09/92/26/1388099226.db2.gz PJDUMXNBMHEJFF-OAHLLOKOSA-N 1 0 335.452 3.329 10 5 EGBERO C[C@H](NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC001123601091 1372520914 /nfs/dbraw/zinc/52/09/14/1372520914.db2.gz AINOUJHOGWDWHC-ZDUSSCGKSA-N 1 0 348.447 3.218 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001128653533 1373300633 /nfs/dbraw/zinc/30/06/33/1373300633.db2.gz ZLLCNPAGGYKPOR-HNNXBMFYSA-N 1 0 333.432 3.062 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC001149051021 1379316677 /nfs/dbraw/zinc/31/66/77/1379316677.db2.gz JTNXWVJYHVGEOY-NVXWUHKLSA-N 1 0 347.459 3.404 10 5 EGBERO CC/C=C(/C)C(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001327970934 1388636484 /nfs/dbraw/zinc/63/64/84/1388636484.db2.gz NQCKBCOZFMTQBL-CHHVJCJISA-N 1 0 345.443 3.422 10 5 EGBERO CCC(CC)[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)[NH+]1CCCC1 ZINC001162073481 1382620004 /nfs/dbraw/zinc/62/00/04/1382620004.db2.gz IITFIHBACVKASA-HNNXBMFYSA-N 1 0 337.468 3.432 10 5 EGBERO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC001328802867 1388870243 /nfs/dbraw/zinc/87/02/43/1388870243.db2.gz SKGIRBZCOIEQHZ-HNNXBMFYSA-N 1 0 339.395 3.057 10 5 EGBERO CC(C)Oc1cc(C(=O)Nc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC001304167645 1383837329 /nfs/dbraw/zinc/83/73/29/1383837329.db2.gz XQIYTYZHGFZRHP-UHFFFAOYSA-N 1 0 340.339 3.282 10 5 EGBERO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001307486067 1383997594 /nfs/dbraw/zinc/99/75/94/1383997594.db2.gz DTMLTZUWBVOLKS-JKSUJKDBSA-N 1 0 349.431 3.059 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001307950886 1384062430 /nfs/dbraw/zinc/06/24/30/1384062430.db2.gz AADFCKUAALLFFC-IAGOWNOFSA-N 1 0 348.443 3.379 10 5 EGBERO COC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC001308105931 1384094330 /nfs/dbraw/zinc/09/43/30/1384094330.db2.gz ISXHEOONHROSMP-CYBMUJFWSA-N 1 0 328.796 3.316 10 5 EGBERO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001308155462 1384102130 /nfs/dbraw/zinc/10/21/30/1384102130.db2.gz DNAQMJCSPLVSKD-BASYENTBSA-N 1 0 348.443 3.435 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC001175193387 1385216782 /nfs/dbraw/zinc/21/67/82/1385216782.db2.gz CIQNFAWGJYSIKO-MOPGFXCFSA-N 1 0 342.395 3.172 10 5 EGBERO CCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001320035510 1386466738 /nfs/dbraw/zinc/46/67/38/1386466738.db2.gz SWGRHOZKLBYUTI-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CCCC(=O)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001698687404 1406333387 /nfs/dbraw/zinc/33/33/87/1406333387.db2.gz CVRCOXROEHFEEB-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)cc1[N+](=O)[O-] ZINC001331971044 1389929120 /nfs/dbraw/zinc/92/91/20/1389929120.db2.gz JBUQRAUQWFLKEC-VMGRFDJRSA-N 1 0 329.404 3.014 10 5 EGBERO CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001480396463 1392737646 /nfs/dbraw/zinc/73/76/46/1392737646.db2.gz XUVFNAIUIFFSNU-MNZLEMJZSA-N 1 0 345.443 3.112 10 5 EGBERO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001485679326 1396101810 /nfs/dbraw/zinc/10/18/10/1396101810.db2.gz MMDDWDVPTSKEGK-YJGJHCHVSA-N 1 0 345.443 3.182 10 5 EGBERO CC(C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001689801406 1404143184 /nfs/dbraw/zinc/14/31/84/1404143184.db2.gz KWBWUHKQENKDHK-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CCC(C)(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691146713 1405080481 /nfs/dbraw/zinc/08/04/81/1405080481.db2.gz CGUMLFGLDOFCJZ-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001699500776 1412892594 /nfs/dbraw/zinc/89/25/94/1412892594.db2.gz GOSJRKUSCSWODB-UHFFFAOYSA-N 1 0 347.459 3.215 10 5 EGBERO CC/C=C(/C)C(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001700688517 1414340708 /nfs/dbraw/zinc/34/07/08/1414340708.db2.gz XGFZFLRMUMMPHW-CHHVJCJISA-N 1 0 345.443 3.374 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccoc1C)Cc1ccccc1[N+](=O)[O-] ZINC001713005738 1417560407 /nfs/dbraw/zinc/56/04/07/1417560407.db2.gz FWEJHBUMHBNCGG-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CCC[N@H+](CCNC(=O)c1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC001714649559 1419426821 /nfs/dbraw/zinc/42/68/21/1419426821.db2.gz ZSVRNTPUIKEKHG-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO CCCC(=O)N1CCC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001715159449 1419901221 /nfs/dbraw/zinc/90/12/21/1419901221.db2.gz HSPCUEMNOREAPI-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO CC(C)CC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001731489164 1427463960 /nfs/dbraw/zinc/46/39/60/1427463960.db2.gz DATCNCPRECORBO-IYBDPMFKSA-N 1 0 347.459 3.404 10 5 EGBERO CC[N@H+](CCNC(=O)C1(CC)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731809812 1427989509 /nfs/dbraw/zinc/98/95/09/1427989509.db2.gz VLJZFALTKBXPNA-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181537023 234223543 /nfs/dbraw/zinc/22/35/43/234223543.db2.gz SDRMWWMAAHVPDQ-GJZGRUSLSA-N 1 0 345.443 3.286 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000183389141 235041542 /nfs/dbraw/zinc/04/15/42/235041542.db2.gz BIWJKRFZQVUUIA-LJQANCHMSA-N 1 0 348.443 3.453 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245990679 243179877 /nfs/dbraw/zinc/17/98/77/243179877.db2.gz IITXREHZIAVSSW-BBRMVZONSA-N 1 0 334.420 3.097 10 5 EGBERO CCC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268864673 252313940 /nfs/dbraw/zinc/31/39/40/252313940.db2.gz CJIYEGWPMPEFGT-PUJMQQBBSA-N 1 0 333.432 3.330 10 5 EGBERO C[C@@H](O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 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O=C(NCC[NH+]1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277705570 455640368 /nfs/dbraw/zinc/64/03/68/455640368.db2.gz HZKPKIGTAQRZHX-UHFFFAOYSA-N 1 0 349.434 3.309 10 5 EGBERO CC[NH+](CC)CCCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278100235 455758694 /nfs/dbraw/zinc/75/86/94/455758694.db2.gz ZHKCWILCWZNBPE-UHFFFAOYSA-N 1 0 341.839 3.408 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187268809 455888910 /nfs/dbraw/zinc/88/89/10/455888910.db2.gz OFKGBYQBBLMFCW-KSSFIOAISA-N 1 0 341.411 3.324 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301457409 456120372 /nfs/dbraw/zinc/12/03/72/456120372.db2.gz XIWAYRWGVNDNLI-NWDGAFQWSA-N 1 0 325.384 3.275 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000289862385 456158891 /nfs/dbraw/zinc/15/88/91/456158891.db2.gz RDAYDBLVFMVGBR-TZMCWYRMSA-N 1 0 334.420 3.104 10 5 EGBERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263782326 456221730 /nfs/dbraw/zinc/22/17/30/456221730.db2.gz FUYIWXCLVLYYOV-GFCCVEGCSA-N 1 0 343.412 3.093 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301927822 456253169 /nfs/dbraw/zinc/25/31/69/456253169.db2.gz KNMHYMJBVDBMKK-VXGBXAGGSA-N 1 0 325.384 3.275 10 5 EGBERO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000302748425 456390519 /nfs/dbraw/zinc/39/05/19/456390519.db2.gz GBYFPFYJANNGMF-OAHLLOKOSA-N 1 0 326.400 3.187 10 5 EGBERO CC(C)[C@@](C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353092711 456484999 /nfs/dbraw/zinc/48/49/99/456484999.db2.gz JLQWQVIJXKRVDA-MRXNPFEDSA-N 1 0 335.429 3.215 10 5 EGBERO C[NH+]1CCC(Oc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000343150232 456436612 /nfs/dbraw/zinc/43/66/12/456436612.db2.gz PTCGZYDJJBEUQO-UHFFFAOYSA-N 1 0 342.399 3.075 10 5 EGBERO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000303755612 456484031 /nfs/dbraw/zinc/48/40/31/456484031.db2.gz GKLSKTGSADEZDQ-KRWDZBQOSA-N 1 0 339.439 3.344 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473716 456524977 /nfs/dbraw/zinc/52/49/77/456524977.db2.gz KWKBHZLWQDGMTB-YUFPNPJJSA-N 1 0 336.407 3.495 10 5 EGBERO CC(C)(C)[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000340566573 456534306 /nfs/dbraw/zinc/53/43/06/456534306.db2.gz DBCHSNUUZVOONM-SWLSCSKDSA-N 1 0 328.359 3.102 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000291858378 456780155 /nfs/dbraw/zinc/78/01/55/456780155.db2.gz HTDOQJHNHBPCLM-AWEZNQCLSA-N 1 0 326.400 3.065 10 5 EGBERO O=[N+]([O-])c1cccnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000301063247 456786603 /nfs/dbraw/zinc/78/66/03/456786603.db2.gz CJIJMZAPZIWNSA-MRXNPFEDSA-N 1 0 326.400 3.456 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000339076730 456928849 /nfs/dbraw/zinc/92/88/49/456928849.db2.gz CCQHFSUUFFKGCY-ZWKOTPCHSA-N 1 0 332.375 3.378 10 5 EGBERO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000349531299 456983522 /nfs/dbraw/zinc/98/35/22/456983522.db2.gz ZQDVUKIEKSKELM-UHFFFAOYSA-N 1 0 332.429 3.071 10 5 EGBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000345900875 457005880 /nfs/dbraw/zinc/00/58/80/457005880.db2.gz HKBCIIPYKVKUDB-UHFFFAOYSA-N 1 0 333.432 3.321 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000362760227 457081172 /nfs/dbraw/zinc/08/11/72/457081172.db2.gz ULPLZSOCKNHIDT-QZTJIDSGSA-N 1 0 329.375 3.269 10 5 EGBERO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CN1C(C)=O ZINC000349974458 457128849 /nfs/dbraw/zinc/12/88/49/457128849.db2.gz MSJRPUYBSUFYKT-IRXDYDNUSA-N 1 0 333.432 3.125 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186431 457143685 /nfs/dbraw/zinc/14/36/85/457143685.db2.gz TWTLOKDBJWBCJY-GDBMZVCRSA-N 1 0 336.432 3.222 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000354546827 457281730 /nfs/dbraw/zinc/28/17/30/457281730.db2.gz FYSFKALCJSYISI-UHFFFAOYSA-N 1 0 345.399 3.193 10 5 EGBERO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000342407491 457285838 /nfs/dbraw/zinc/28/58/38/457285838.db2.gz MMDFUIHKPJONDW-LLVKDONJSA-N 1 0 330.340 3.183 10 5 EGBERO Cn1nccc1-c1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352442241 457371225 /nfs/dbraw/zinc/37/12/25/457371225.db2.gz MSQHKNYQONEGTA-UHFFFAOYSA-N 1 0 336.395 3.328 10 5 EGBERO Cc1ccc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000369886336 457445436 /nfs/dbraw/zinc/44/54/36/457445436.db2.gz FSPHVFRVBDHQIJ-LBPRGKRZSA-N 1 0 342.399 3.493 10 5 EGBERO COc1cc(C[N@H+](C)CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000352540727 457451155 /nfs/dbraw/zinc/45/11/55/457451155.db2.gz OOVDRSVCIGZQKC-UHFFFAOYSA-N 1 0 330.384 3.252 10 5 EGBERO CC[N@H+](CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000446048334 458134099 /nfs/dbraw/zinc/13/40/99/458134099.db2.gz TVSMCYDYLVSJPU-UHFFFAOYSA-N 1 0 327.812 3.017 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423983098 458530208 /nfs/dbraw/zinc/53/02/08/458530208.db2.gz VHQPKYJENHRDPB-DOTOQJQBSA-N 1 0 345.443 3.322 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000439163829 458665535 /nfs/dbraw/zinc/66/55/35/458665535.db2.gz HJPHOFOQECUNSE-YPMHNXCESA-N 1 0 339.823 3.111 10 5 EGBERO Cn1cncc1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000530407475 458764088 /nfs/dbraw/zinc/76/40/88/458764088.db2.gz LRBZAUKFIYQMDY-LJQANCHMSA-N 1 0 336.395 3.250 10 5 EGBERO Cc1ccnc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000432926594 458815569 /nfs/dbraw/zinc/81/55/69/458815569.db2.gz YCMCQUUXRNBANO-CQSZACIVSA-N 1 0 328.372 3.427 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000474030002 458855485 /nfs/dbraw/zinc/85/54/85/458855485.db2.gz GUZVSDGXTSACOA-HRCADAONSA-N 1 0 334.416 3.288 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457101458 458866884 /nfs/dbraw/zinc/86/68/84/458866884.db2.gz YDMUMFCKOMSCIU-CYBMUJFWSA-N 1 0 339.823 3.111 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccnn3CC3CC3)c2c1 ZINC000594958125 459192737 /nfs/dbraw/zinc/19/27/37/459192737.db2.gz STJDGQPDXDAONW-UHFFFAOYSA-N 1 0 339.399 3.015 10 5 EGBERO CCO[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594968277 459199573 /nfs/dbraw/zinc/19/95/73/459199573.db2.gz FNBCASYQSGQYSI-NNUKFRKNSA-N 1 0 333.413 3.375 10 5 EGBERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000594978523 459203346 /nfs/dbraw/zinc/20/33/46/459203346.db2.gz DFCRAABKNPFERD-CXAGYDPISA-N 1 0 348.834 3.483 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)o1 ZINC000594987895 459206335 /nfs/dbraw/zinc/20/63/35/459206335.db2.gz MOCHTFQXLSWVLI-IAGOWNOFSA-N 1 0 328.368 3.248 10 5 EGBERO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992239 459208312 /nfs/dbraw/zinc/20/83/12/459208312.db2.gz QZSHSWRRKBRTOH-RBUKOAKNSA-N 1 0 344.411 3.451 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000595058519 459230995 /nfs/dbraw/zinc/23/09/95/459230995.db2.gz CHBKNXIMSNBJQN-CQSZACIVSA-N 1 0 341.411 3.390 10 5 EGBERO COC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595069167 459235855 /nfs/dbraw/zinc/23/58/55/459235855.db2.gz NLRZWGZWDBZNBE-ZWKOTPCHSA-N 1 0 334.416 3.003 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595081658 459239890 /nfs/dbraw/zinc/23/98/90/459239890.db2.gz UERGQHVQMPAHLE-NHYWBVRUSA-N 1 0 341.358 3.337 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595095406 459243352 /nfs/dbraw/zinc/24/33/52/459243352.db2.gz MOWZKLGKKYUJPJ-LLVKDONJSA-N 1 0 344.358 3.194 10 5 EGBERO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482008400 459285545 /nfs/dbraw/zinc/28/55/45/459285545.db2.gz MFRYBHVUSNVVJX-NVXWUHKLSA-N 1 0 340.427 3.355 10 5 EGBERO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000560355608 459329825 /nfs/dbraw/zinc/32/98/25/459329825.db2.gz GACQUVVOUVNXJW-GOSISDBHSA-N 1 0 341.415 3.130 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000484648552 459424420 /nfs/dbraw/zinc/42/44/20/459424420.db2.gz JNMAYZMFMVBONC-ZWKOTPCHSA-N 1 0 341.411 3.073 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)C2CCC(F)CC2)c1 ZINC000595822410 459453669 /nfs/dbraw/zinc/45/36/69/459453669.db2.gz SZLSAZZQZTUKOE-XIKARTHZSA-N 1 0 338.379 3.388 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595825166 459454113 /nfs/dbraw/zinc/45/41/13/459454113.db2.gz CHYSSMYRTXZDBA-QGZVFWFLSA-N 1 0 341.411 3.314 10 5 EGBERO COc1cc(N2CCC(C[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596082842 459513326 /nfs/dbraw/zinc/51/33/26/459513326.db2.gz NTJNBVMYZIVQLK-UHFFFAOYSA-N 1 0 327.812 3.035 10 5 EGBERO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596105377 459523565 /nfs/dbraw/zinc/52/35/65/459523565.db2.gz OXFFMXCKNVQODF-SNVBAGLBSA-N 1 0 343.811 3.177 10 5 EGBERO [NH3+][C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1F ZINC000596108819 459524822 /nfs/dbraw/zinc/52/48/22/459524822.db2.gz YZAHSEJYRXOMMD-HUUCEWRRSA-N 1 0 335.404 3.194 10 5 EGBERO Cc1cccc(C2([NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCC2)c1 ZINC000592145835 459535320 /nfs/dbraw/zinc/53/53/20/459535320.db2.gz DMAHUQAHXFRATP-UHFFFAOYSA-N 1 0 339.395 3.171 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592166636 459540339 /nfs/dbraw/zinc/54/03/39/459540339.db2.gz HAVIPBKFJOHBAX-BNOWGMLFSA-N 1 0 330.837 3.247 10 5 EGBERO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000592392421 459588824 /nfs/dbraw/zinc/58/88/24/459588824.db2.gz SUNZRTXPPBRBEL-QWRGUYRKSA-N 1 0 329.347 3.193 10 5 EGBERO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000592396701 459590778 /nfs/dbraw/zinc/59/07/78/459590778.db2.gz JDVAZHOSYSWBIO-BARDWOONSA-N 1 0 336.436 3.211 10 5 EGBERO CC(C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000592397528 459592484 /nfs/dbraw/zinc/59/24/84/459592484.db2.gz MZLPWXMAAHZPIT-QFBILLFUSA-N 1 0 348.443 3.084 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255801 459629339 /nfs/dbraw/zinc/62/93/39/459629339.db2.gz ZLOOTIDIBCOAHD-HOTGVXAUSA-N 1 0 336.432 3.222 10 5 EGBERO Cn1nc(C(F)(F)F)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597122202 459843539 /nfs/dbraw/zinc/84/35/39/459843539.db2.gz VMWPLWVVLKHRPL-UHFFFAOYSA-N 1 0 342.321 3.022 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000609354371 459949745 /nfs/dbraw/zinc/94/97/45/459949745.db2.gz ZLOKPNBMJDPIER-KBPBESRZSA-N 1 0 328.416 3.240 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593716935 459961050 /nfs/dbraw/zinc/96/10/50/459961050.db2.gz VQBCVIUFXHBUCC-AUUYWEPGSA-N 1 0 326.396 3.122 10 5 EGBERO Cn1cc(C[NH2+]CC[C@H]2CC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598649245 459977594 /nfs/dbraw/zinc/97/75/94/459977594.db2.gz SPDAKNBOPMMJRD-ZDUSSCGKSA-N 1 0 336.342 3.130 10 5 EGBERO Cc1nn(C(C)C)cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588933945 460007416 /nfs/dbraw/zinc/00/74/16/460007416.db2.gz YUZKGHOIIIZLKS-UHFFFAOYSA-N 1 0 341.415 3.494 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610064381 460058013 /nfs/dbraw/zinc/05/80/13/460058013.db2.gz GFANKFXHNVYWJB-GASCZTMLSA-N 1 0 347.459 3.252 10 5 EGBERO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598986906 460117611 /nfs/dbraw/zinc/11/76/11/460117611.db2.gz HFIKZLDCDIRALE-PXAZEXFGSA-N 1 0 345.424 3.375 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000599014554 460126996 /nfs/dbraw/zinc/12/69/96/460126996.db2.gz BVOHRKCBMHZUCB-JNSHFYNHSA-N 1 0 346.383 3.378 10 5 EGBERO O=[N+]([O-])c1c(NC2CC[NH+](CC3CC3)CC2)ccc2cnccc21 ZINC000599025171 460131102 /nfs/dbraw/zinc/13/11/02/460131102.db2.gz ZZCIOSHQRVJXES-UHFFFAOYSA-N 1 0 326.400 3.429 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC([C@@H]2CCOC2)CC1 ZINC000599065257 460149485 /nfs/dbraw/zinc/14/94/85/460149485.db2.gz JQINBXLOEGGHSA-OAHLLOKOSA-N 1 0 327.384 3.396 10 5 EGBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599079040 460153800 /nfs/dbraw/zinc/15/38/00/460153800.db2.gz ANRAADUPRRAWHQ-HIFRSBDPSA-N 1 0 326.400 3.206 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)c1ccncc1 ZINC000610830968 460245467 /nfs/dbraw/zinc/24/54/67/460245467.db2.gz RQQPFQXCACKZRD-UONOGXRCSA-N 1 0 342.399 3.100 10 5 EGBERO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231004 460451695 /nfs/dbraw/zinc/45/16/95/460451695.db2.gz XZSRHVGULRYDLY-KSSFIOAISA-N 1 0 345.443 3.222 10 5 EGBERO COc1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601155157 460735203 /nfs/dbraw/zinc/73/52/03/460735203.db2.gz FKBQJFFBXLSPBG-KRWDZBQOSA-N 1 0 334.416 3.432 10 5 EGBERO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000348056000 535804078 /nfs/dbraw/zinc/80/40/78/535804078.db2.gz XBMXZIWQIQFFKI-CQSZACIVSA-N 1 0 332.404 3.065 10 5 EGBERO COC(=O)/C=C/c1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000729469346 574863549 /nfs/dbraw/zinc/86/35/49/574863549.db2.gz FPNFDTYKHRRRLE-CSKARUKUSA-N 1 0 347.415 3.067 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC4(C3)CCCCC4)n2)cc1 ZINC000172938266 1294450720 /nfs/dbraw/zinc/45/07/20/1294450720.db2.gz FVXHGOKYCQAWKB-UHFFFAOYSA-N 1 0 341.415 3.467 10 5 EGBERO CC[C@H](C[NH+](C)C)OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000870546726 1295935169 /nfs/dbraw/zinc/93/51/69/1295935169.db2.gz COJBXUSOVDDHIP-SNVBAGLBSA-N 1 0 334.294 3.111 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000870989650 1296167564 /nfs/dbraw/zinc/16/75/64/1296167564.db2.gz LYJTYVGXMMCABB-MRXNPFEDSA-N 1 0 339.823 3.085 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000870989649 1296167568 /nfs/dbraw/zinc/16/75/68/1296167568.db2.gz LYJTYVGXMMCABB-INIZCTEOSA-N 1 0 339.823 3.085 10 5 EGBERO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H](O)C(F)F ZINC000872075902 1296721107 /nfs/dbraw/zinc/72/11/07/1296721107.db2.gz VMPBESURXVSDBP-YDEJPDAXSA-N 1 0 334.388 3.372 10 5 EGBERO CC(C)[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000872092974 1296730685 /nfs/dbraw/zinc/73/06/85/1296730685.db2.gz RZYZKBGOBSSQAF-HJIKLVIJSA-N 1 0 338.301 3.332 10 5 EGBERO COCC(C)(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872106172 1296733203 /nfs/dbraw/zinc/73/32/03/1296733203.db2.gz OGQOJOJGFSYWBT-UHFFFAOYSA-N 1 0 335.448 3.216 10 5 EGBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncc(Cl)s2)n1 ZINC000872114888 1296742415 /nfs/dbraw/zinc/74/24/15/1296742415.db2.gz DDNRMRKSXWXMGB-ZJUUUORDSA-N 1 0 341.824 3.175 10 5 EGBERO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129480 1296754986 /nfs/dbraw/zinc/75/49/86/1296754986.db2.gz BFFHAQPCWMNPPK-HNNXBMFYSA-N 1 0 340.427 3.305 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3c4cc(Cl)ccc4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000894371901 1306364688 /nfs/dbraw/zinc/36/46/88/1306364688.db2.gz KLNXTTYIFQCLPS-NEPJUHHUSA-N 1 0 346.818 3.184 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000895611027 1309428133 /nfs/dbraw/zinc/42/81/33/1309428133.db2.gz OLLDFDLGTVQCDE-OIBJUYFYSA-N 1 0 335.148 3.491 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2F)cc1Cl ZINC000895748650 1309503256 /nfs/dbraw/zinc/50/32/56/1309503256.db2.gz IQDBNIVYLGRTOA-CYBMUJFWSA-N 1 0 338.766 3.081 10 5 EGBERO C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445824 1328764145 /nfs/dbraw/zinc/76/41/45/1328764145.db2.gz DFJMTCSMBVLRPO-KPZWWZAWSA-N 1 0 343.383 3.058 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000858505283 1328782174 /nfs/dbraw/zinc/78/21/74/1328782174.db2.gz HWWNSBAIJKZXAV-IAGOWNOFSA-N 1 0 344.411 3.157 10 5 EGBERO CC(C)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000922597353 1322566315 /nfs/dbraw/zinc/56/63/15/1322566315.db2.gz PGWKSYWDNCEHFY-UHFFFAOYSA-N 1 0 348.443 3.130 10 5 EGBERO Cc1c(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cccc1[N+](=O)[O-] ZINC000922672394 1322584707 /nfs/dbraw/zinc/58/47/07/1322584707.db2.gz CFKJJKRRDWXYEL-OCCSQVGLSA-N 1 0 332.322 3.493 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000922713951 1322600615 /nfs/dbraw/zinc/60/06/15/1322600615.db2.gz QKVAFBDPEZWFDX-UHFFFAOYSA-N 1 0 342.321 3.254 10 5 EGBERO COc1ccc(C[NH2+]CCc2cccc3oc(C)nc32)cc1[N+](=O)[O-] ZINC000922770581 1322614291 /nfs/dbraw/zinc/61/42/91/1322614291.db2.gz OBYOICKXOXYPQY-UHFFFAOYSA-N 1 0 341.367 3.385 10 5 EGBERO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000922873978 1322637880 /nfs/dbraw/zinc/63/78/80/1322637880.db2.gz YUMDUFYCVCUIKT-KBPBESRZSA-N 1 0 330.388 3.275 10 5 EGBERO COc1ccc(C[NH2+]CC[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000922963676 1322663822 /nfs/dbraw/zinc/66/38/22/1322663822.db2.gz NCMWPIXAUKLCEL-SFHVURJKSA-N 1 0 342.395 3.397 10 5 EGBERO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113183 1325433674 /nfs/dbraw/zinc/43/36/74/1325433674.db2.gz MYXUGIIHWPESGI-CABCVRRESA-N 1 0 326.824 3.441 10 5 EGBERO CCCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CC[N@H+](C)C1 ZINC000862095895 1329458666 /nfs/dbraw/zinc/45/86/66/1329458666.db2.gz GDTYNSQDCIPPIW-OAHLLOKOSA-N 1 0 341.411 3.304 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1Cl ZINC000862435494 1329486560 /nfs/dbraw/zinc/48/65/60/1329486560.db2.gz BRUCWSSCSBXVKZ-HNNXBMFYSA-N 1 0 332.787 3.479 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866532700 1330122833 /nfs/dbraw/zinc/12/28/33/1330122833.db2.gz LVGIUZAUNZHEMS-RDJZCZTQSA-N 1 0 348.443 3.091 10 5 EGBERO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866532827 1330122963 /nfs/dbraw/zinc/12/29/63/1330122963.db2.gz MRTTUTBCJDBBRN-IAGOWNOFSA-N 1 0 334.416 3.221 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)c1 ZINC000867989975 1330237333 /nfs/dbraw/zinc/23/73/33/1330237333.db2.gz HGHHXUSLAVOCFD-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000869896651 1330585372 /nfs/dbraw/zinc/58/53/72/1330585372.db2.gz GFVDSDHJQUNKIM-AWEZNQCLSA-N 1 0 344.342 3.165 10 5 EGBERO C[NH+](C)[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC001184515998 1387481637 /nfs/dbraw/zinc/48/16/37/1387481637.db2.gz JRYRYARUJCYUIT-OAHLLOKOSA-N 1 0 326.356 3.451 10 5 EGBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001195307715 1368417775 /nfs/dbraw/zinc/41/77/75/1368417775.db2.gz VUQRFRQAIYUMFW-HIFRSBDPSA-N 1 0 331.416 3.434 10 5 EGBERO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC001195622818 1368462009 /nfs/dbraw/zinc/46/20/09/1368462009.db2.gz OCXCMSDORZAGKE-UHFFFAOYSA-N 1 0 328.796 3.412 10 5 EGBERO Cc1nc([C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001197710043 1368877310 /nfs/dbraw/zinc/87/73/10/1368877310.db2.gz CTWUQRHYUBMHMS-HNNXBMFYSA-N 1 0 330.388 3.151 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCCCCNC(=O)CC1 ZINC001207092754 1371291793 /nfs/dbraw/zinc/29/17/93/1371291793.db2.gz HQVGLGKEXLPQRA-SSZFMOIBSA-N 1 0 345.443 3.380 10 5 EGBERO CC(C)(C)c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001129964651 1373440431 /nfs/dbraw/zinc/44/04/31/1373440431.db2.gz SSRAGZMPEPSDQN-UHFFFAOYSA-N 1 0 347.459 3.497 10 5 EGBERO CC(C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])=C1CCC1 ZINC001327199097 1388438725 /nfs/dbraw/zinc/43/87/25/1388438725.db2.gz FRDOXTYGSUXHPT-UHFFFAOYSA-N 1 0 345.443 3.376 10 5 EGBERO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001136620008 1377410067 /nfs/dbraw/zinc/41/00/67/1377410067.db2.gz UNOJJLYLVRQTHS-UHFFFAOYSA-N 1 0 335.448 3.454 10 5 EGBERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141768702 1378373190 /nfs/dbraw/zinc/37/31/90/1378373190.db2.gz DJKIFHTUYUXDTL-JTQLQIEISA-N 1 0 345.802 3.238 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC001149051020 1379316726 /nfs/dbraw/zinc/31/67/26/1379316726.db2.gz JTNXWVJYHVGEOY-DOTOQJQBSA-N 1 0 347.459 3.404 10 5 EGBERO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307161511 1383948414 /nfs/dbraw/zinc/94/84/14/1383948414.db2.gz WWHOQLABENVLLZ-KRWDZBQOSA-N 1 0 343.402 3.487 10 5 EGBERO CC1(C)CC[N@H+](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001307230192 1383962016 /nfs/dbraw/zinc/96/20/16/1383962016.db2.gz QYNSZSGPPMFEJB-UHFFFAOYSA-N 1 0 349.822 3.335 10 5 EGBERO CC[N@H+](C)[C@H]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001307234676 1383962859 /nfs/dbraw/zinc/96/28/59/1383962859.db2.gz HLDBFOVLOBGLBZ-LBPRGKRZSA-N 1 0 334.807 3.327 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001168741054 1383987079 /nfs/dbraw/zinc/98/70/79/1383987079.db2.gz GKARRMOKHHDGPF-OTWHNJEPSA-N 1 0 344.411 3.120 10 5 EGBERO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC001308069368 1384085081 /nfs/dbraw/zinc/08/50/81/1384085081.db2.gz VBUZPSPOJDDVEY-RYUDHWBXSA-N 1 0 331.347 3.412 10 5 EGBERO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001308101603 1384092871 /nfs/dbraw/zinc/09/28/71/1384092871.db2.gz YPIQTLJZKWGXNO-OAHLLOKOSA-N 1 0 325.840 3.410 10 5 EGBERO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC001308148161 1384101431 /nfs/dbraw/zinc/10/14/31/1384101431.db2.gz GTXLVLVIRQBANE-SFHVURJKSA-N 1 0 343.383 3.214 10 5 EGBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001308159926 1384102698 /nfs/dbraw/zinc/10/26/98/1384102698.db2.gz LTWQHSNMAQISAH-QZTJIDSGSA-N 1 0 334.416 3.397 10 5 EGBERO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001170891622 1384406237 /nfs/dbraw/zinc/40/62/37/1384406237.db2.gz DCHYSXRNBJYXDM-UHFFFAOYSA-N 1 0 330.432 3.082 10 5 EGBERO COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)O2 ZINC001176036008 1385468845 /nfs/dbraw/zinc/46/88/45/1385468845.db2.gz HHZTZRAVYCKNCD-SJCJKPOMSA-N 1 0 328.368 3.258 10 5 EGBERO COC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC001176463664 1385596409 /nfs/dbraw/zinc/59/64/09/1385596409.db2.gz NPCKKSFOTZDYTN-CYBMUJFWSA-N 1 0 328.796 3.316 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C1CC=CC1 ZINC001698626056 1406266984 /nfs/dbraw/zinc/26/69/84/1406266984.db2.gz ADARAHQQIAPYLD-UHFFFAOYSA-N 1 0 343.427 3.080 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1 ZINC001329581095 1389166104 /nfs/dbraw/zinc/16/61/04/1389166104.db2.gz CUGRHCIGQGMMJI-UONOGXRCSA-N 1 0 338.429 3.097 10 5 EGBERO C[N@@H+]1CC[C@@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001345263361 1390852299 /nfs/dbraw/zinc/85/22/99/1390852299.db2.gz AOKGLBVDKKDICT-LBPRGKRZSA-N 1 0 340.807 3.066 10 5 EGBERO CC(=O)c1ccc(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC001348455931 1391221873 /nfs/dbraw/zinc/22/18/73/1391221873.db2.gz VMDLZIKQPHGIOX-KDURUIRLSA-N 1 0 343.427 3.110 10 5 EGBERO CCCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001480156219 1392603414 /nfs/dbraw/zinc/60/34/14/1392603414.db2.gz JMESJWHIOSKDDO-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480204789 1392622646 /nfs/dbraw/zinc/62/26/46/1392622646.db2.gz BNKRSAUKONBKFA-GASCZTMLSA-N 1 0 333.432 3.158 10 5 EGBERO CCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691163764 1405099246 /nfs/dbraw/zinc/09/92/46/1405099246.db2.gz FIPVQUHUVIFTHC-SHTZXODSSA-N 1 0 333.432 3.015 10 5 EGBERO CC(C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713201805 1417772727 /nfs/dbraw/zinc/77/27/27/1417772727.db2.gz IFRPGNHNJCDCOG-IYBDPMFKSA-N 1 0 333.432 3.158 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1Cl ZINC001714788383 1419509576 /nfs/dbraw/zinc/50/95/76/1419509576.db2.gz XWNPSRITFOLHOT-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CC(C)=C(C)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001733253038 1429402233 /nfs/dbraw/zinc/40/22/33/1429402233.db2.gz NZOWXJQATQOQRM-UHFFFAOYSA-N 1 0 331.416 3.080 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/C(C)(C)C ZINC001716210192 1420567290 /nfs/dbraw/zinc/56/72/90/1420567290.db2.gz JZSFLFVZAZFSIW-ZHACJKMWSA-N 1 0 333.432 3.135 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1(C)CC1 ZINC001717455702 1421385112 /nfs/dbraw/zinc/38/51/12/1421385112.db2.gz WSLRRLSTNZWSND-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC1(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC=CC1 ZINC001731880857 1428151025 /nfs/dbraw/zinc/15/10/25/1428151025.db2.gz JWEQEMNFOWVQBA-UHFFFAOYSA-N 1 0 343.427 3.032 10 5 EGBERO Fc1ccc(COc2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1 ZINC000063638371 717132644 /nfs/dbraw/zinc/13/26/44/717132644.db2.gz XZZQBKXLUVJYKG-UHFFFAOYSA-N 1 0 327.423 3.051 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181559247 529587895 /nfs/dbraw/zinc/58/78/95/529587895.db2.gz NYDMCISNVKNZSP-KRWDZBQOSA-N 1 0 345.374 3.091 10 5 EGBERO C[N+](C)(C)CCOC(=O)c1ccc2cc(Br)ccc2c1 ZINC000002597033 209871346 /nfs/dbraw/zinc/87/13/46/209871346.db2.gz ACGSRGGAJMBCQX-UHFFFAOYSA-N 1 0 337.237 3.465 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181537003 234223329 /nfs/dbraw/zinc/22/33/29/234223329.db2.gz SDRMWWMAAHVPDQ-HUUCEWRRSA-N 1 0 345.443 3.286 10 5 EGBERO CCn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000183316856 235004036 /nfs/dbraw/zinc/00/40/36/235004036.db2.gz LWEKPGPUBDYEDE-UHFFFAOYSA-N 1 0 328.416 3.499 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190282449 238354805 /nfs/dbraw/zinc/35/48/05/238354805.db2.gz OKSOYIIGMNTPJB-RDJZCZTQSA-N 1 0 332.425 3.173 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377660272 169056053 /nfs/dbraw/zinc/05/60/53/169056053.db2.gz VETCGMISISDDJG-WMZOPIPTSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408171328 169162509 /nfs/dbraw/zinc/16/25/09/169162509.db2.gz HWLDTYRQKULUDV-XHSDSOJGSA-N 1 0 332.448 3.448 10 5 EGBERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000174464566 533590173 /nfs/dbraw/zinc/59/01/73/533590173.db2.gz PSFRLSGSXDZFKO-MNOVXSKESA-N 1 0 340.811 3.195 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cc1 ZINC000191349489 153188576 /nfs/dbraw/zinc/18/85/76/153188576.db2.gz QYWLMRMXFYCPBB-QGZVFWFLSA-N 1 0 348.443 3.379 10 5 EGBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000303586075 154048262 /nfs/dbraw/zinc/04/82/62/154048262.db2.gz QNEUGBYZPMQVSW-MJGOQNOKSA-N 1 0 346.427 3.157 10 5 EGBERO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000336699766 154208965 /nfs/dbraw/zinc/20/89/65/154208965.db2.gz DFZHEUSSURUYSE-ZDUSSCGKSA-N 1 0 332.791 3.330 10 5 EGBERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455406 154360975 /nfs/dbraw/zinc/36/09/75/154360975.db2.gz HKJGKQAZEDLUCO-QWRGUYRKSA-N 1 0 345.321 3.196 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000344075481 164097082 /nfs/dbraw/zinc/09/70/82/164097082.db2.gz UVZYQDRRMDUUMH-AWEZNQCLSA-N 1 0 347.415 3.220 10 5 EGBERO O=[N+]([O-])c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000344444334 164180292 /nfs/dbraw/zinc/18/02/92/164180292.db2.gz XYIRVBDYJKVWEY-UHFFFAOYSA-N 1 0 342.399 3.077 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncccc3O)o2)cc1 ZINC000355275341 166150915 /nfs/dbraw/zinc/15/09/15/166150915.db2.gz DPYMSYFDJDVYPA-UHFFFAOYSA-N 1 0 325.324 3.245 10 5 EGBERO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc1 ZINC000366857774 168148789 /nfs/dbraw/zinc/14/87/89/168148789.db2.gz MFZFVWJJOYNFCH-UHFFFAOYSA-N 1 0 344.337 3.207 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000177564815 265262399 /nfs/dbraw/zinc/26/23/99/265262399.db2.gz XCDLTWWTHNHJHS-KBPBESRZSA-N 1 0 328.372 3.267 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)o2)cc1 ZINC000177579698 265264946 /nfs/dbraw/zinc/26/49/46/265264946.db2.gz MQCCYCRSQCPWIJ-KBPBESRZSA-N 1 0 328.372 3.267 10 5 EGBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000262200157 295394525 /nfs/dbraw/zinc/39/45/25/295394525.db2.gz KJCZDBUAXSPATO-SFHVURJKSA-N 1 0 341.411 3.058 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000162484666 307913347 /nfs/dbraw/zinc/91/33/47/307913347.db2.gz ZSZJMAMFHPOJSK-JYJNAYRXSA-N 1 0 336.432 3.139 10 5 EGBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255213201 308043674 /nfs/dbraw/zinc/04/36/74/308043674.db2.gz JIGYPBHBZKIDEQ-DDJMYBDESA-N 1 0 332.400 3.272 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c(F)c1 ZINC000414563427 309089719 /nfs/dbraw/zinc/08/97/19/309089719.db2.gz BSGQVCIKPNUMIQ-CQSZACIVSA-N 1 0 333.338 3.242 10 5 EGBERO CCn1ccnc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295836768 308365586 /nfs/dbraw/zinc/36/55/86/308365586.db2.gz AFZPKYOZEVHSKA-GOEBONIOSA-N 1 0 328.416 3.312 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3F)cccc21 ZINC000413259407 309024038 /nfs/dbraw/zinc/02/40/38/309024038.db2.gz DILNJCQSQFVGRE-CQSZACIVSA-N 1 0 332.335 3.258 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000415700164 309141365 /nfs/dbraw/zinc/14/13/65/309141365.db2.gz LOETWMRHDHJPQM-IUODEOHRSA-N 1 0 346.431 3.108 10 5 EGBERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415703651 309141483 /nfs/dbraw/zinc/14/14/83/309141483.db2.gz RBAIVOHRGLODDU-VXGBXAGGSA-N 1 0 334.420 3.093 10 5 EGBERO C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417140044 309194701 /nfs/dbraw/zinc/19/47/01/309194701.db2.gz PFJUCVBKMXYMPG-ZDUSSCGKSA-N 1 0 334.420 3.007 10 5 EGBERO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000418142208 309237387 /nfs/dbraw/zinc/23/73/87/309237387.db2.gz MHZDVHDUQYYVHP-INIZCTEOSA-N 1 0 327.384 3.342 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNCc1cccnc1)CCC2 ZINC000423182018 309389288 /nfs/dbraw/zinc/38/92/88/309389288.db2.gz DPLHXSHPGIHVCV-LJQANCHMSA-N 1 0 340.427 3.137 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CCCNCc2cccnc2)cccc1[N+](=O)[O-] ZINC000423184411 309389461 /nfs/dbraw/zinc/38/94/61/309389461.db2.gz HXGLAGCYUDWDLI-OAHLLOKOSA-N 1 0 328.416 3.129 10 5 EGBERO Cc1sc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423981884 309423742 /nfs/dbraw/zinc/42/37/42/309423742.db2.gz ZZSUCGSDBUNONL-ZDUSSCGKSA-N 1 0 333.413 3.175 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CC4CCC3CC4)o2)cc1 ZINC000433000558 309675102 /nfs/dbraw/zinc/67/51/02/309675102.db2.gz PEZBIPRRURMLGM-KOHJWAIASA-N 1 0 328.372 3.313 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433082991 309678267 /nfs/dbraw/zinc/67/82/67/309678267.db2.gz NEYAQMIDKZOWIE-NEQJSVFRSA-N 1 0 347.415 3.099 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOc1ncccc1F)CCC2 ZINC000447583906 309983240 /nfs/dbraw/zinc/98/32/40/309983240.db2.gz DBBFDMRINOVTGT-MRXNPFEDSA-N 1 0 331.347 3.175 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429296 310061215 /nfs/dbraw/zinc/06/12/15/310061215.db2.gz ASWXASQMDLAHAF-LZLYRXPVSA-N 1 0 348.443 3.080 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429295 310061322 /nfs/dbraw/zinc/06/13/22/310061322.db2.gz ASWXASQMDLAHAF-JZXOWHBKSA-N 1 0 348.443 3.080 10 5 EGBERO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000449775949 310086309 /nfs/dbraw/zinc/08/63/09/310086309.db2.gz NQXOYZRQJSADNZ-GFCCVEGCSA-N 1 0 344.358 3.445 10 5 EGBERO CC(C)[NH+]1CCN(c2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC000450415332 310121158 /nfs/dbraw/zinc/12/11/58/310121158.db2.gz AYPZDJJMVOIUAG-UHFFFAOYSA-N 1 0 341.415 3.264 10 5 EGBERO Cc1cc(N2CCC[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450883845 310147686 /nfs/dbraw/zinc/14/76/86/310147686.db2.gz QUHBGKSRMORFBV-SFHVURJKSA-N 1 0 327.384 3.458 10 5 EGBERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000471151569 310734092 /nfs/dbraw/zinc/73/40/92/310734092.db2.gz NELIFDTXKGYQON-KDOFPFPSSA-N 1 0 336.432 3.141 10 5 EGBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000505895024 312038528 /nfs/dbraw/zinc/03/85/28/312038528.db2.gz GTQYMBIKNYEKAR-UHFFFAOYSA-N 1 0 349.406 3.142 10 5 EGBERO O=C(CC[NH2+][C@H]1C[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000521994581 312569531 /nfs/dbraw/zinc/56/95/31/312569531.db2.gz FLVJBOQMURABJE-HOCLYGCPSA-N 1 0 343.358 3.208 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)c1 ZINC000535080810 314025436 /nfs/dbraw/zinc/02/54/36/314025436.db2.gz DHFFNVPWOWSYOX-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000540179308 314367860 /nfs/dbraw/zinc/36/78/60/314367860.db2.gz XYPDYKDPXJOALA-CYBMUJFWSA-N 1 0 347.440 3.435 10 5 EGBERO Cc1c(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000550682020 315132183 /nfs/dbraw/zinc/13/21/83/315132183.db2.gz GXDHYYOHKHAQLQ-PKOBYXMFSA-N 1 0 325.412 3.438 10 5 EGBERO CCOc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000554723241 315345244 /nfs/dbraw/zinc/34/52/44/315345244.db2.gz VLRVADANBVLCCE-UHFFFAOYSA-N 1 0 340.383 3.202 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H]([NH+]3CCCC3)CC1)CCCC2 ZINC000563039599 315947914 /nfs/dbraw/zinc/94/79/14/315947914.db2.gz YKYCZIDTCTZDLM-MRXNPFEDSA-N 1 0 344.459 3.323 10 5 EGBERO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382463826 324250862 /nfs/dbraw/zinc/25/08/62/324250862.db2.gz YSRNMUPQEOIUGF-UWVGGRQHSA-N 1 0 328.210 3.348 10 5 EGBERO CC1=C[C@H](C)C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000579655683 325139215 /nfs/dbraw/zinc/13/92/15/325139215.db2.gz CSUCGSCNYWGAQC-GOEBONIOSA-N 1 0 330.432 3.104 10 5 EGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190450816 455320705 /nfs/dbraw/zinc/32/07/05/455320705.db2.gz GOKRNKYGFJWTMF-HNNXBMFYSA-N 1 0 344.390 3.087 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258341 454347380 /nfs/dbraw/zinc/34/73/80/454347380.db2.gz BPOOMWKFUKWDRR-CYBMUJFWSA-N 1 0 341.415 3.073 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000073757920 454478895 /nfs/dbraw/zinc/47/88/95/454478895.db2.gz IIQIOIXHADVUIJ-AWEZNQCLSA-N 1 0 348.447 3.077 10 5 EGBERO CN(c1ccncc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775086 454633448 /nfs/dbraw/zinc/63/34/48/454633448.db2.gz VWXVPCKTXCRUSA-INIZCTEOSA-N 1 0 326.400 3.091 10 5 EGBERO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](C)O ZINC000093143385 454688437 /nfs/dbraw/zinc/68/84/37/454688437.db2.gz SWTLROWUAJKDIU-LBPRGKRZSA-N 1 0 335.429 3.310 10 5 EGBERO CN(Cc1ccc(N)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000135982559 454712547 /nfs/dbraw/zinc/71/25/47/454712547.db2.gz COGODCQDBPBNTE-UHFFFAOYSA-N 1 0 326.278 3.227 10 5 EGBERO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000161924874 454737165 /nfs/dbraw/zinc/73/71/65/454737165.db2.gz CEMPRYVVFQZFBH-IUODEOHRSA-N 1 0 349.406 3.196 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136762914 454755908 /nfs/dbraw/zinc/75/59/08/454755908.db2.gz KTCOCKUJWZKNTA-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO C[C@H](C(=O)N(C)c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153204149 454770327 /nfs/dbraw/zinc/77/03/27/454770327.db2.gz ZHMIBWIXHMSWNJ-CQSZACIVSA-N 1 0 339.395 3.004 10 5 EGBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000164120310 454874727 /nfs/dbraw/zinc/87/47/27/454874727.db2.gz VFKMCJGDYZTCRR-JSGCOSHPSA-N 1 0 349.456 3.016 10 5 EGBERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166594326 454913318 /nfs/dbraw/zinc/91/33/18/454913318.db2.gz UYPVFJSTCOHEFK-MAUKXSAKSA-N 1 0 343.431 3.038 10 5 EGBERO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170625613 454944523 /nfs/dbraw/zinc/94/45/23/454944523.db2.gz QZLOCVMEZRESGY-HNNXBMFYSA-N 1 0 341.415 3.255 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000127769840 454995403 /nfs/dbraw/zinc/99/54/03/454995403.db2.gz SWVHADSEQZLSPP-ZDUSSCGKSA-N 1 0 334.420 3.208 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000179423972 455046273 /nfs/dbraw/zinc/04/62/73/455046273.db2.gz PAHSCPQENSAKED-UVIMBBFXSA-N 1 0 342.395 3.302 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)cc1[N+](=O)[O-] ZINC000180501280 455184247 /nfs/dbraw/zinc/18/42/47/455184247.db2.gz IEEBMAJGEHJLLB-HIFRSBDPSA-N 1 0 343.431 3.284 10 5 EGBERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157582997 455210132 /nfs/dbraw/zinc/21/01/32/455210132.db2.gz IQCLMOMSIULNQP-SJKOYZFVSA-N 1 0 346.431 3.239 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)cccc1[N+](=O)[O-] ZINC000180639267 455215440 /nfs/dbraw/zinc/21/54/40/455215440.db2.gz NIMAAOMZUOHEOI-KGLIPLIRSA-N 1 0 343.431 3.284 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4cnccc43)C2)nc1 ZINC000183337396 455280311 /nfs/dbraw/zinc/28/03/11/455280311.db2.gz BLYJVKBFWRYICY-INIZCTEOSA-N 1 0 349.394 3.224 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181536881 455351010 /nfs/dbraw/zinc/35/10/10/455351010.db2.gz DETFCWICFQJSQP-PKOBYXMFSA-N 1 0 344.411 3.384 10 5 EGBERO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000159299624 455367939 /nfs/dbraw/zinc/36/79/39/455367939.db2.gz GQUVDUDSLPAAID-UHFFFAOYSA-N 1 0 335.429 3.385 10 5 EGBERO CC[C@H](NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247008392 455542088 /nfs/dbraw/zinc/54/20/88/455542088.db2.gz HBRVAAFJFMIBPZ-XOKHGSTOSA-N 1 0 348.447 3.074 10 5 EGBERO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000192798466 455696042 /nfs/dbraw/zinc/69/60/42/455696042.db2.gz ABMVINUDHMADTP-LLVKDONJSA-N 1 0 349.412 3.344 10 5 EGBERO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C[NH+](C)C ZINC000293933575 455801122 /nfs/dbraw/zinc/80/11/22/455801122.db2.gz UGBRYIPOGDNKNC-CYBMUJFWSA-N 1 0 337.423 3.021 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285527525 455863436 /nfs/dbraw/zinc/86/34/36/455863436.db2.gz HCKJENCYOOKLPU-AWEZNQCLSA-N 1 0 326.400 3.487 10 5 EGBERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000187680324 455937976 /nfs/dbraw/zinc/93/79/76/455937976.db2.gz YHDNYVWZVMRCMJ-KSZLIROESA-N 1 0 326.396 3.433 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+](C)C2CCCCC2)c1 ZINC000301935252 456254952 /nfs/dbraw/zinc/25/49/52/456254952.db2.gz SULLCZXWKIRWSH-UHFFFAOYSA-N 1 0 325.384 3.419 10 5 EGBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275404381 456273976 /nfs/dbraw/zinc/27/39/76/456273976.db2.gz BNCOXJJIAOJYQO-CQSZACIVSA-N 1 0 349.434 3.165 10 5 EGBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000340219425 456322375 /nfs/dbraw/zinc/32/23/75/456322375.db2.gz RZRNKCFDELMFOR-GFCCVEGCSA-N 1 0 345.365 3.347 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309370 456344713 /nfs/dbraw/zinc/34/47/13/456344713.db2.gz ZELMMOOYQIXXDR-RGFKIIKPSA-N 1 0 336.407 3.495 10 5 EGBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000310279216 456582024 /nfs/dbraw/zinc/58/20/24/456582024.db2.gz VRPUSMITKVTBDC-QLFBSQMISA-N 1 0 344.440 3.374 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000359088585 457052170 /nfs/dbraw/zinc/05/21/70/457052170.db2.gz ZUXPURGHAHBLPK-UHFFFAOYSA-N 1 0 341.415 3.330 10 5 EGBERO Cc1cc(C)c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c(=O)[nH]1 ZINC000360935599 457444911 /nfs/dbraw/zinc/44/49/11/457444911.db2.gz IYMDLPWPSOSOPH-UHFFFAOYSA-N 1 0 338.367 3.203 10 5 EGBERO CCOc1ccc(-c2nc(Cc3ccc(C)nc3)no2)cc1[N+](=O)[O-] ZINC000356149706 457487970 /nfs/dbraw/zinc/48/79/70/457487970.db2.gz MMYLLKBLDCKDQH-UHFFFAOYSA-N 1 0 340.339 3.338 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000401189493 457526413 /nfs/dbraw/zinc/52/64/13/457526413.db2.gz QAERMQNYGLQPMJ-CQSZACIVSA-N 1 0 330.363 3.063 10 5 EGBERO C[N@H+](CCc1ccc(F)cc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275970 457676371 /nfs/dbraw/zinc/67/63/71/457676371.db2.gz ZNGGOAVFVHIXRT-UHFFFAOYSA-N 1 0 328.347 3.285 10 5 EGBERO Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(F)c1 ZINC000358090814 457780704 /nfs/dbraw/zinc/78/07/04/457780704.db2.gz UVNIQGVUGMAZPN-OAHLLOKOSA-N 1 0 327.319 3.064 10 5 EGBERO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426765660 457896211 /nfs/dbraw/zinc/89/62/11/457896211.db2.gz QYXZFCOXXLIUPA-VXGBXAGGSA-N 1 0 337.807 3.309 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000358262679 457896264 /nfs/dbraw/zinc/89/62/64/457896264.db2.gz ZCQNDXLRYGQPTJ-CYBMUJFWSA-N 1 0 326.400 3.464 10 5 EGBERO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCCO1 ZINC000444662891 457931088 /nfs/dbraw/zinc/93/10/88/457931088.db2.gz XCICUBMZXXIWDU-AWEZNQCLSA-N 1 0 332.404 3.252 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000361891625 457934618 /nfs/dbraw/zinc/93/46/18/457934618.db2.gz XRXIAEAFSVLUSO-BZUAXINKSA-N 1 0 334.416 3.288 10 5 EGBERO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000458491262 458069478 /nfs/dbraw/zinc/06/94/78/458069478.db2.gz FRSWFPFYIPFRQT-RHSMWYFYSA-N 1 0 348.447 3.172 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000375870680 458104018 /nfs/dbraw/zinc/10/40/18/458104018.db2.gz KLYCLZXBFCUBHY-HNNXBMFYSA-N 1 0 327.384 3.063 10 5 EGBERO COCC[C@H]1CCCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000376374273 458281959 /nfs/dbraw/zinc/28/19/59/458281959.db2.gz CTRLUKDIHONJLE-CYBMUJFWSA-N 1 0 340.395 3.381 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000437335523 458445221 /nfs/dbraw/zinc/44/52/21/458445221.db2.gz DZOZODKHUCDRHR-MIAKERSBSA-N 1 0 332.400 3.320 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000462763922 458652237 /nfs/dbraw/zinc/65/22/37/458652237.db2.gz MUUUZEYNVZFRTR-WBVHZDCISA-N 1 0 347.459 3.154 10 5 EGBERO CCc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000471897039 458748308 /nfs/dbraw/zinc/74/83/08/458748308.db2.gz QMKGWALLVOYGCU-UHFFFAOYSA-N 1 0 333.432 3.152 10 5 EGBERO Cc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ncc1[N+](=O)[O-] ZINC000432922819 458813855 /nfs/dbraw/zinc/81/38/55/458813855.db2.gz BWOZDSHWFKYZIG-AWEZNQCLSA-N 1 0 328.372 3.427 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000495261507 458822722 /nfs/dbraw/zinc/82/27/22/458822722.db2.gz YMHYBPQNLCFZNV-KBXCAEBGSA-N 1 0 336.432 3.365 10 5 EGBERO CCOC(=O)c1cc(NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000467745886 458984707 /nfs/dbraw/zinc/98/47/07/458984707.db2.gz GVYJZUHWWUQTTQ-CYBMUJFWSA-N 1 0 335.404 3.058 10 5 EGBERO C[C@@H]([NH2+]C1COCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000589949712 459056369 /nfs/dbraw/zinc/05/63/69/459056369.db2.gz JMQIGCMNZYZTFY-GFCCVEGCSA-N 1 0 348.424 3.389 10 5 EGBERO C[N@H+](CCCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000442962640 459065957 /nfs/dbraw/zinc/06/59/57/459065957.db2.gz CZFZMZJDABWAHD-UHFFFAOYSA-N 1 0 334.347 3.340 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594522071 459078621 /nfs/dbraw/zinc/07/86/21/459078621.db2.gz XSBVBTWOZZZJHJ-RRQGHBQHSA-N 1 0 349.431 3.249 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590599981 459157755 /nfs/dbraw/zinc/15/77/55/459157755.db2.gz IGPKMPWTEBVXCN-OAHLLOKOSA-N 1 0 327.384 3.248 10 5 EGBERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000594982928 459204961 /nfs/dbraw/zinc/20/49/61/459204961.db2.gz CVDORMYGNAMWEA-MFKMUULPSA-N 1 0 330.331 3.243 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CCC(O)CC3)o2)c1 ZINC000594992647 459209053 /nfs/dbraw/zinc/20/90/53/459209053.db2.gz UWNUCCXJDOHQKI-UHFFFAOYSA-N 1 0 330.384 3.496 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595001535 459211926 /nfs/dbraw/zinc/21/19/26/459211926.db2.gz WIYYWKDSUBYOHK-UHFFFAOYSA-N 1 0 344.358 3.024 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595059642 459230735 /nfs/dbraw/zinc/23/07/35/459230735.db2.gz FXIRXJFZDAVZFY-QMCVQRASSA-N 1 0 336.432 3.120 10 5 EGBERO CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000523302780 459289064 /nfs/dbraw/zinc/28/90/64/459289064.db2.gz ZQSNKIIZGLBBAM-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1SC ZINC000569084572 459392123 /nfs/dbraw/zinc/39/21/23/459392123.db2.gz RKGBJLYTKRUJRI-ZACQAIPSSA-N 1 0 349.456 3.117 10 5 EGBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485394951 459452641 /nfs/dbraw/zinc/45/26/41/459452641.db2.gz YZJQLGWCRMXOGK-OAHLLOKOSA-N 1 0 344.390 3.112 10 5 EGBERO O=c1[nH]ccc(NCc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596067576 459507548 /nfs/dbraw/zinc/50/75/48/459507548.db2.gz PRXNNYZAEHRICO-UHFFFAOYSA-N 1 0 342.399 3.293 10 5 EGBERO CO[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000592132723 459532142 /nfs/dbraw/zinc/53/21/42/459532142.db2.gz NDMNSCVKSPUBLD-ZHALLVOQSA-N 1 0 348.443 3.125 10 5 EGBERO Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596168920 459545690 /nfs/dbraw/zinc/54/56/90/459545690.db2.gz TXMLINGJLIJDNX-AWEZNQCLSA-N 1 0 339.461 3.046 10 5 EGBERO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000592392424 459588452 /nfs/dbraw/zinc/58/84/52/459588452.db2.gz UAUHXLOSLFCMFH-GHMZBOCLSA-N 1 0 329.347 3.193 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315069 459593230 /nfs/dbraw/zinc/59/32/30/459593230.db2.gz WBKLHSXWBHYSJO-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446640 459601312 /nfs/dbraw/zinc/60/13/12/459601312.db2.gz KYYXLKHYBYEPIV-AEFFLSMTSA-N 1 0 346.427 3.011 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc([N+](=O)[O-])cc1 ZINC000593183618 459799665 /nfs/dbraw/zinc/79/96/65/459799665.db2.gz DNCFECCUNDGQAW-MLGOLLRUSA-N 1 0 327.384 3.022 10 5 EGBERO COc1cc(NCC[N@H+](C)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000574493520 459824720 /nfs/dbraw/zinc/82/47/20/459824720.db2.gz SRDGOQHOIVTFBV-UHFFFAOYSA-N 1 0 325.384 3.419 10 5 EGBERO COc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000597220487 459883115 /nfs/dbraw/zinc/88/31/15/459883115.db2.gz KKKJQRSMMRBOEA-CULMDFNYSA-N 1 0 342.342 3.135 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC000594054701 460077295 /nfs/dbraw/zinc/07/72/95/460077295.db2.gz VUANKOZDOMNDCO-INIZCTEOSA-N 1 0 331.416 3.238 10 5 EGBERO Cn1ncc(C(F)(F)F)c1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598989687 460119297 /nfs/dbraw/zinc/11/92/97/460119297.db2.gz QTDHUMPIAUNKMN-GQCTYLIASA-N 1 0 340.305 3.150 10 5 EGBERO CCN(CC)C(=O)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599020251 460128682 /nfs/dbraw/zinc/12/86/82/460128682.db2.gz SLIFSMQUWYOGKY-UHFFFAOYSA-N 1 0 330.388 3.204 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599073108 460151893 /nfs/dbraw/zinc/15/18/93/460151893.db2.gz DUVBJVLFWUVXDZ-CJNGLKHVSA-N 1 0 333.432 3.271 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599080712 460153375 /nfs/dbraw/zinc/15/33/75/460153375.db2.gz IZHSXXULFOUMCG-HNNXBMFYSA-N 1 0 347.459 3.154 10 5 EGBERO Cc1c([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cccc1[N+](=O)[O-] ZINC000599084840 460156171 /nfs/dbraw/zinc/15/61/71/460156171.db2.gz SFLKOHDMAVKRAJ-GFCCVEGCSA-N 1 0 341.367 3.199 10 5 EGBERO CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529762 460177442 /nfs/dbraw/zinc/17/74/42/460177442.db2.gz OGEKMNYHMRQVMX-RHSMWYFYSA-N 1 0 348.447 3.075 10 5 EGBERO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000599166536 460184251 /nfs/dbraw/zinc/18/42/51/460184251.db2.gz XMFWTTDGUOONCI-NSHDSACASA-N 1 0 344.337 3.437 10 5 EGBERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599625186 460290899 /nfs/dbraw/zinc/29/08/99/460290899.db2.gz GXKRVIKEXZIQBN-TVEHIPJCSA-N 1 0 346.387 3.107 10 5 EGBERO Cc1cccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)c1 ZINC000599626321 460291292 /nfs/dbraw/zinc/29/12/92/460291292.db2.gz CUZPDIOMLLVCDK-SFHVURJKSA-N 1 0 341.411 3.489 10 5 EGBERO COc1ccc([C@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1F ZINC000599681744 460309493 /nfs/dbraw/zinc/30/94/93/460309493.db2.gz ZUQYASNFLVBVFN-ZDUSSCGKSA-N 1 0 346.358 3.438 10 5 EGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000599693470 460313258 /nfs/dbraw/zinc/31/32/58/460313258.db2.gz ATVZQBYCBMTLQS-INIZCTEOSA-N 1 0 332.404 3.123 10 5 EGBERO CCC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000611415388 460360097 /nfs/dbraw/zinc/36/00/97/460360097.db2.gz XCNORWIWRINQBM-QGZVFWFLSA-N 1 0 340.427 3.481 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000611517017 460384960 /nfs/dbraw/zinc/38/49/60/460384960.db2.gz BLYMBWHUJJFSJJ-GOEBONIOSA-N 1 0 334.416 3.242 10 5 EGBERO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000616092063 460469294 /nfs/dbraw/zinc/46/92/94/460469294.db2.gz GFYUNTBRWIKFAJ-NSHDSACASA-N 1 0 341.358 3.337 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000601218527 460754692 /nfs/dbraw/zinc/75/46/92/460754692.db2.gz XZNQXGLMDVYEPB-UHFFFAOYSA-N 1 0 338.839 3.488 10 5 EGBERO CC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000601230980 460758446 /nfs/dbraw/zinc/75/84/46/460758446.db2.gz GUECZMLNNJIZPF-UHFFFAOYSA-N 1 0 332.404 3.077 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601745428 460888588 /nfs/dbraw/zinc/88/85/88/460888588.db2.gz VIWCTXYBZYHNOG-UHFFFAOYSA-N 1 0 349.406 3.215 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266225682 535445572 /nfs/dbraw/zinc/44/55/72/535445572.db2.gz MPPZMEOUFPCDBO-UHFFFAOYSA-N 1 0 347.459 3.111 10 5 EGBERO CC[N@@H+]1CCCC[C@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000732050384 575234068 /nfs/dbraw/zinc/23/40/68/575234068.db2.gz OKFGRTALHDENHC-WWRUEGTHSA-N 1 0 347.415 3.067 10 5 EGBERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000743718267 576815242 /nfs/dbraw/zinc/81/52/42/576815242.db2.gz MYVBIFHCGLIOFB-GFCCVEGCSA-N 1 0 339.823 3.195 10 5 EGBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000870995000 1296171604 /nfs/dbraw/zinc/17/16/04/1296171604.db2.gz AHYUZQBVUARAEU-INIZCTEOSA-N 1 0 339.823 3.085 10 5 EGBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871362439 1296372412 /nfs/dbraw/zinc/37/24/12/1296372412.db2.gz WGWKKMMIFKWJEV-UHFFFAOYSA-N 1 0 337.395 3.035 10 5 EGBERO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872022369 1296665306 /nfs/dbraw/zinc/66/53/06/1296665306.db2.gz YEDITTXHYVXOFX-BZNIZROVSA-N 1 0 334.347 3.127 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029187 1296675716 /nfs/dbraw/zinc/67/57/16/1296675716.db2.gz OTNVEOXCCBEZOU-VHSXEESVSA-N 1 0 335.301 3.021 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O ZINC000872049286 1296698398 /nfs/dbraw/zinc/69/83/98/1296698398.db2.gz SDLNIIVAVRPBNF-ZPMVXHMNSA-N 1 0 330.475 3.124 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000872049285 1296698459 /nfs/dbraw/zinc/69/84/59/1296698459.db2.gz SDLNIIVAVRPBNF-NNUHMIRASA-N 1 0 330.475 3.124 10 5 EGBERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129778 1296753955 /nfs/dbraw/zinc/75/39/55/1296753955.db2.gz SGGAVTAUPRIJCN-CYBMUJFWSA-N 1 0 343.383 3.143 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCN2C2CCCCCC2)cc1 ZINC000872235843 1296835726 /nfs/dbraw/zinc/83/57/26/1296835726.db2.gz KXHHCNNMCFJARO-RTBURBONSA-N 1 0 347.459 3.015 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890882331 1304905421 /nfs/dbraw/zinc/90/54/21/1304905421.db2.gz KSFLDYFGBJIIGW-SDNWHVSQSA-N 1 0 333.432 3.044 10 5 EGBERO Cc1cc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000893022973 1305663987 /nfs/dbraw/zinc/66/39/87/1305663987.db2.gz FKMMGAMBRLUSSW-HOCLYGCPSA-N 1 0 333.432 3.238 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000858473915 1328772172 /nfs/dbraw/zinc/77/21/72/1328772172.db2.gz TUKHYPWPXPXKMN-JQFCIGGWSA-N 1 0 344.411 3.157 10 5 EGBERO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000930207872 1328812069 /nfs/dbraw/zinc/81/20/69/1328812069.db2.gz HBXCYCXXMWSYOU-KCJUWKMLSA-N 1 0 342.264 3.194 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000859564448 1329018938 /nfs/dbraw/zinc/01/89/38/1329018938.db2.gz DNPKJPLQQIZOBY-MSOLQXFVSA-N 1 0 327.384 3.154 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930984270 1329021686 /nfs/dbraw/zinc/02/16/86/1329021686.db2.gz CIUZRKDGXVQBMA-OAHLLOKOSA-N 1 0 341.411 3.120 10 5 EGBERO CO[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCSC1 ZINC000922570930 1322559625 /nfs/dbraw/zinc/55/96/25/1322559625.db2.gz ANQXBLUPGGOEEG-QGZVFWFLSA-N 1 0 348.424 3.467 10 5 EGBERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922697734 1322594327 /nfs/dbraw/zinc/59/43/27/1322594327.db2.gz UOOLYNKJBQZVCO-JSGCOSHPSA-N 1 0 332.322 3.493 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922754925 1322611085 /nfs/dbraw/zinc/61/10/85/1322611085.db2.gz PDKKWOXHZKODNP-SAAWKEMMSA-N 1 0 345.365 3.470 10 5 EGBERO COc1ccc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000922962321 1322662766 /nfs/dbraw/zinc/66/27/66/1322662766.db2.gz RBEWWACOUZTDHG-IBGZPJMESA-N 1 0 342.395 3.399 10 5 EGBERO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnn1CC1CCC1 ZINC000925643112 1325245312 /nfs/dbraw/zinc/24/53/12/1325245312.db2.gz VVQVYRHAGHPKJG-AWEZNQCLSA-N 1 0 328.416 3.485 10 5 EGBERO Cc1c(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000926271787 1325498993 /nfs/dbraw/zinc/49/89/93/1325498993.db2.gz SRJUVGKZJHGULO-UHFFFAOYSA-N 1 0 349.431 3.296 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)C3CCOCC3)c2c1 ZINC000926440420 1325555951 /nfs/dbraw/zinc/55/59/51/1325555951.db2.gz PPQGSINASWDUFG-IBGZPJMESA-N 1 0 343.427 3.413 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)c2c1 ZINC000926440724 1325555977 /nfs/dbraw/zinc/55/59/77/1325555977.db2.gz RDWYIXJDMPMARL-BEFAXECRSA-N 1 0 343.427 3.413 10 5 EGBERO Cc1cc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nn1C ZINC000926916685 1327775314 /nfs/dbraw/zinc/77/53/14/1327775314.db2.gz YVJVCXXDURNICC-YJBOKZPZSA-N 1 0 342.443 3.180 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926922866 1327778213 /nfs/dbraw/zinc/77/82/13/1327778213.db2.gz MMCWWCYGBNNTGL-QWRGUYRKSA-N 1 0 349.328 3.411 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000926946683 1327789106 /nfs/dbraw/zinc/78/91/06/1327789106.db2.gz DTSKVAAHKNAEIG-IRCOFANPSA-N 1 0 332.326 3.063 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927070363 1327840759 /nfs/dbraw/zinc/84/07/59/1327840759.db2.gz ZMUBPQRMLCLFID-CDHAZOANSA-N 1 0 336.407 3.460 10 5 EGBERO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862466940 1329488785 /nfs/dbraw/zinc/48/87/85/1329488785.db2.gz JZLARTXIQXKCEA-LLVKDONJSA-N 1 0 345.182 3.253 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000862488172 1329491399 /nfs/dbraw/zinc/49/13/99/1329491399.db2.gz CLMMNXGLOFIHMD-WQMJKPAKSA-N 1 0 330.384 3.240 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863032609 1329525017 /nfs/dbraw/zinc/52/50/17/1329525017.db2.gz QBCZOJCEBRSCSR-FFWXCITRSA-N 1 0 343.427 3.131 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000863567496 1329563899 /nfs/dbraw/zinc/56/38/99/1329563899.db2.gz DNOQROFZNWICBS-ZJPYXAASSA-N 1 0 344.798 3.210 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1 ZINC000863583016 1329564371 /nfs/dbraw/zinc/56/43/71/1329564371.db2.gz ZXNDXNNWKDFBPZ-DZOHQFGASA-N 1 0 344.798 3.210 10 5 EGBERO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c(C(F)F)c1 ZINC000865445387 1329698368 /nfs/dbraw/zinc/69/83/68/1329698368.db2.gz ICKYJCKIXROURR-UHFFFAOYSA-N 1 0 329.347 3.057 10 5 EGBERO C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])s1)Cc1ccccc12 ZINC000866017489 1329759269 /nfs/dbraw/zinc/75/92/69/1329759269.db2.gz VRYUAPQAHSOZQB-UHFFFAOYSA-N 1 0 344.440 3.035 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000866540935 1330124262 /nfs/dbraw/zinc/12/42/62/1330124262.db2.gz UJWQFUSRYOKCGQ-GFCCVEGCSA-N 1 0 341.367 3.085 10 5 EGBERO COc1cccc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000867988625 1330236929 /nfs/dbraw/zinc/23/69/29/1330236929.db2.gz QHESUSPOJSUEIS-INIZCTEOSA-N 1 0 341.367 3.042 10 5 EGBERO Cc1c(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000867991272 1330238012 /nfs/dbraw/zinc/23/80/12/1330238012.db2.gz NCHFKBLKMFJJFV-MRXNPFEDSA-N 1 0 325.368 3.342 10 5 EGBERO CC(C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001184831062 1387545903 /nfs/dbraw/zinc/54/59/03/1387545903.db2.gz PXJOQBWLDLBQGZ-AWEZNQCLSA-N 1 0 340.855 3.234 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC001324557371 1387673444 /nfs/dbraw/zinc/67/34/44/1387673444.db2.gz ZGFUAAWHUZGYAC-HOCLYGCPSA-N 1 0 335.404 3.330 10 5 EGBERO CC(C)(C)C(=O)NCC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001324897291 1387809399 /nfs/dbraw/zinc/80/93/99/1387809399.db2.gz JICSZNCCUFUXDG-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC001192814635 1367880162 /nfs/dbraw/zinc/88/01/62/1367880162.db2.gz UUTXVZZUXMDTQY-CYBMUJFWSA-N 1 0 339.395 3.373 10 5 EGBERO CC[C@@H]1C[C@H]1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001193187821 1367960473 /nfs/dbraw/zinc/96/04/73/1367960473.db2.gz HSTSQFVMORHMJR-KGLIPLIRSA-N 1 0 343.431 3.029 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(/C=C\[C@@H]2CCC[NH2+]C2)n1 ZINC001119002820 1371264207 /nfs/dbraw/zinc/26/42/07/1371264207.db2.gz XGHBYEQRMFJYCR-SZZPACECSA-N 1 0 328.372 3.274 10 5 EGBERO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001127842406 1373189073 /nfs/dbraw/zinc/18/90/73/1373189073.db2.gz FEONRCMZFRAOHU-ROUUACIJSA-N 1 0 347.459 3.279 10 5 EGBERO CC[C@@H](NC(=O)N1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001230506507 1376044105 /nfs/dbraw/zinc/04/41/05/1376044105.db2.gz VSVUOWFDUDNHOU-MRXNPFEDSA-N 1 0 348.447 3.172 10 5 EGBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001137115054 1377481182 /nfs/dbraw/zinc/48/11/82/1377481182.db2.gz XMPMVMSMPWXRHD-SFHVURJKSA-N 1 0 347.459 3.154 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001141546894 1378342609 /nfs/dbraw/zinc/34/26/09/1378342609.db2.gz MGCCICXODFLHKB-HNNXBMFYSA-N 1 0 333.432 3.144 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001280782755 1378373882 /nfs/dbraw/zinc/37/38/82/1378373882.db2.gz YVNFZDTYGUYCSM-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001294219752 1382428474 /nfs/dbraw/zinc/42/84/74/1382428474.db2.gz NYZVDTDZJGKFJH-AEFFLSMTSA-N 1 0 345.443 3.051 10 5 EGBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001294219755 1382428546 /nfs/dbraw/zinc/42/85/46/1382428546.db2.gz NYZVDTDZJGKFJH-WMZOPIPTSA-N 1 0 345.443 3.051 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC001167157620 1383554030 /nfs/dbraw/zinc/55/40/30/1383554030.db2.gz LYSWGGBYSTUJDR-UHFFFAOYSA-N 1 0 328.416 3.402 10 5 EGBERO CCCC[NH+](CCCC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001167526187 1383658651 /nfs/dbraw/zinc/65/86/51/1383658651.db2.gz SBDKHEGIXQYARZ-UHFFFAOYSA-N 1 0 333.432 3.386 10 5 EGBERO C[C@@H](C(=O)Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1F ZINC001304166246 1383836120 /nfs/dbraw/zinc/83/61/20/1383836120.db2.gz SHFJXQWASWVRTP-SNVBAGLBSA-N 1 0 328.303 3.124 10 5 EGBERO COc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001307096188 1383939438 /nfs/dbraw/zinc/93/94/38/1383939438.db2.gz QOJCPHOLCJJMOS-UHFFFAOYSA-N 1 0 343.427 3.480 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001307950892 1384062224 /nfs/dbraw/zinc/06/22/24/1384062224.db2.gz AADFCKUAALLFFC-SJORKVTESA-N 1 0 348.443 3.379 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001308121935 1384096395 /nfs/dbraw/zinc/09/63/95/1384096395.db2.gz RKZFVQKNQDKDAG-MRXNPFEDSA-N 1 0 328.416 3.368 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001171811168 1384645494 /nfs/dbraw/zinc/64/54/94/1384645494.db2.gz VRTCHBMUYBOLQW-ZACQAIPSSA-N 1 0 346.427 3.457 10 5 EGBERO CC/C=C(\C)C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317549453 1385304835 /nfs/dbraw/zinc/30/48/35/1385304835.db2.gz VCMKRQIQESGTMB-LNKIKWGQSA-N 1 0 331.416 3.032 10 5 EGBERO C[C@@H](C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC001175982167 1385451722 /nfs/dbraw/zinc/45/17/22/1385451722.db2.gz BHKGCLQEQIKSOG-ZDUSSCGKSA-N 1 0 333.432 3.098 10 5 EGBERO Cc1cncc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCC1 ZINC001320899419 1386751717 /nfs/dbraw/zinc/75/17/17/1386751717.db2.gz XYFVUCDCQVUVFG-UHFFFAOYSA-N 1 0 340.427 3.318 10 5 EGBERO COc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC001329174499 1389004623 /nfs/dbraw/zinc/00/46/23/1389004623.db2.gz FITFIZFKFMCVRI-KRWDZBQOSA-N 1 0 341.411 3.152 10 5 EGBERO CCC1(C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001329327556 1389063174 /nfs/dbraw/zinc/06/31/74/1389063174.db2.gz AFPHDCZKVPOHMM-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001331472208 1389762771 /nfs/dbraw/zinc/76/27/71/1389762771.db2.gz MFWIPKLIYQTOJM-IBGZPJMESA-N 1 0 342.395 3.087 10 5 EGBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001333300064 1390279043 /nfs/dbraw/zinc/27/90/43/1390279043.db2.gz RXVSDFJFCDHNHC-UHFFFAOYSA-N 1 0 333.432 3.035 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001347662280 1391108096 /nfs/dbraw/zinc/10/80/96/1391108096.db2.gz VDVSOKFQTBTNET-LLVKDONJSA-N 1 0 327.812 3.098 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001348765290 1391263771 /nfs/dbraw/zinc/26/37/71/1391263771.db2.gz DHQHGNUTRDLJHL-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@H]2C1 ZINC001350915941 1391557861 /nfs/dbraw/zinc/55/78/61/1391557861.db2.gz OBBMOIPXVXOBDZ-YSSFQJQWSA-N 1 0 345.446 3.458 10 5 EGBERO Cc1scc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001691330880 1405206342 /nfs/dbraw/zinc/20/63/42/1405206342.db2.gz JOHDLCJSCNHSKS-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO CC(C)CC(C)(C)C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001691546854 1405334275 /nfs/dbraw/zinc/33/42/75/1405334275.db2.gz ZWUBOLAAICMXCE-UHFFFAOYSA-N 1 0 341.477 3.277 10 5 EGBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCCC1 ZINC001699490063 1412886767 /nfs/dbraw/zinc/88/67/67/1412886767.db2.gz CDTWQIPYMPRVKI-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001732766549 1428958129 /nfs/dbraw/zinc/95/81/29/1428958129.db2.gz FHTFOIJVFVNRMQ-KHPPLWFESA-N 1 0 333.432 3.135 10 5 EGBERO CCC[N@H+](CCNC(=O)CC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713545683 1418314472 /nfs/dbraw/zinc/31/44/72/1418314472.db2.gz JRWSADUAOOFSHR-UHFFFAOYSA-N 1 0 335.448 3.359 10 5 EGBERO CCCN(C(=O)C(C)C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001713854441 1418651338 /nfs/dbraw/zinc/65/13/38/1418651338.db2.gz SHKIOONXWGVENV-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO Cc1csc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001716679983 1420834982 /nfs/dbraw/zinc/83/49/82/1420834982.db2.gz ICOSETNWMSPXCT-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO CCCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC001716691040 1420843510 /nfs/dbraw/zinc/84/35/10/1420843510.db2.gz XHBFMSCHBRPKIT-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCCC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001716692024 1420844703 /nfs/dbraw/zinc/84/47/03/1420844703.db2.gz DIEBYXOZSPGCCY-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1)C1CCC1 ZINC001725217186 1425783772 /nfs/dbraw/zinc/78/37/72/1425783772.db2.gz FEKNGTCCIPDXPW-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CC1=C(c2ccco2)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368481105 168362051 /nfs/dbraw/zinc/36/20/51/168362051.db2.gz DSKLJCNBJAJDLG-QGZVFWFLSA-N 1 0 328.368 3.401 10 5 EGBERO CC[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000370619515 168519562 /nfs/dbraw/zinc/51/95/62/168519562.db2.gz ASEBQRIJBQOWCH-GOSISDBHSA-N 1 0 326.396 3.165 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000183646609 235180427 /nfs/dbraw/zinc/18/04/27/235180427.db2.gz MQHXGFGCUWLFOV-UHFFFAOYSA-N 1 0 342.374 3.261 10 5 EGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080716142 217327160 /nfs/dbraw/zinc/32/71/60/217327160.db2.gz QKDRZAOPCAVWJM-YHWZYXNKSA-N 1 0 349.456 3.062 10 5 EGBERO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000093645064 218238667 /nfs/dbraw/zinc/23/86/67/218238667.db2.gz KIJXKTNRIOVRMC-WCQYABFASA-N 1 0 343.374 3.111 10 5 EGBERO CCC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268861476 252309741 /nfs/dbraw/zinc/30/97/41/252309741.db2.gz ROQIWDSCQOGCFV-LEOMRAHMSA-N 1 0 333.432 3.473 10 5 EGBERO Cc1sc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153923201 224176847 /nfs/dbraw/zinc/17/68/47/224176847.db2.gz FZXYLALGSJTKTJ-TZMCWYRMSA-N 1 0 349.456 3.054 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187816550 144165067 /nfs/dbraw/zinc/16/50/67/144165067.db2.gz MLTVBBMABHNNFF-HNNXBMFYSA-N 1 0 333.432 3.275 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](OC)C(F)(F)F ZINC000344875801 144235094 /nfs/dbraw/zinc/23/50/94/144235094.db2.gz XAMBKECHWKMONK-ZDUSSCGKSA-N 1 0 336.310 3.051 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000120167226 152256718 /nfs/dbraw/zinc/25/67/18/152256718.db2.gz URUMJDPJMXVAFN-ZFWWWQNUSA-N 1 0 334.420 3.062 10 5 EGBERO CCc1nnc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190661518 153154360 /nfs/dbraw/zinc/15/43/60/153154360.db2.gz PLCKLRBWNOCLJM-GFCCVEGCSA-N 1 0 329.404 3.216 10 5 EGBERO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CC=CCC1 ZINC000344030557 164086088 /nfs/dbraw/zinc/08/60/88/164086088.db2.gz BVTJKHUIEOEFFJ-ZDUSSCGKSA-N 1 0 328.372 3.433 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@H]3CCOC3)cs2)c1 ZINC000344259161 164140091 /nfs/dbraw/zinc/14/00/91/164140091.db2.gz DBMAMOJOKVBJJC-GFCCVEGCSA-N 1 0 333.413 3.235 10 5 EGBERO CO[C@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000359415324 167150525 /nfs/dbraw/zinc/15/05/25/167150525.db2.gz ICMWIJWYZOOYGG-MOPGFXCFSA-N 1 0 342.395 3.079 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000177579685 265265024 /nfs/dbraw/zinc/26/50/24/265265024.db2.gz MQCCYCRSQCPWIJ-ZIAGYGMSSA-N 1 0 328.372 3.267 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000282428190 275633190 /nfs/dbraw/zinc/63/31/90/275633190.db2.gz MDUSDDOTIGYDFO-CJNGLKHVSA-N 1 0 328.416 3.317 10 5 EGBERO C[NH2+]CCC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834960 277266211 /nfs/dbraw/zinc/26/62/11/277266211.db2.gz IUQUBNOKGOXZRH-UHFFFAOYSA-N 1 0 342.237 3.183 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)cn1 ZINC000414120114 309062233 /nfs/dbraw/zinc/06/22/33/309062233.db2.gz APUDPSCVNUBXPV-ZDUSSCGKSA-N 1 0 334.445 3.031 10 5 EGBERO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295997221 308383037 /nfs/dbraw/zinc/38/30/37/308383037.db2.gz XKZCIHJCUNCVGN-NWDGAFQWSA-N 1 0 339.823 3.111 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000302138147 308730467 /nfs/dbraw/zinc/73/04/67/308730467.db2.gz DSIUNYGJYGCVBX-UHFFFAOYSA-N 1 0 347.415 3.200 10 5 EGBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415690767 309141162 /nfs/dbraw/zinc/14/11/62/309141162.db2.gz LOAYENQJAHBUSE-FZMZJTMJSA-N 1 0 334.420 3.012 10 5 EGBERO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415700143 309141415 /nfs/dbraw/zinc/14/14/15/309141415.db2.gz LJHCYUMMQTWSTN-UHFFFAOYSA-N 1 0 336.436 3.341 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415761276 309143330 /nfs/dbraw/zinc/14/33/30/309143330.db2.gz LFLTWZQVEIUTJS-GFCCVEGCSA-N 1 0 342.399 3.499 10 5 EGBERO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000418140891 309237430 /nfs/dbraw/zinc/23/74/30/309237430.db2.gz KGRXEUFMCQDLID-KRWDZBQOSA-N 1 0 327.384 3.342 10 5 EGBERO CC(C)(NC(=O)NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418285627 309241560 /nfs/dbraw/zinc/24/15/60/309241560.db2.gz PTOXLTRABSZQRQ-UHFFFAOYSA-N 1 0 348.447 3.181 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401663 309286494 /nfs/dbraw/zinc/28/64/94/309286494.db2.gz POKXFTBLLUMLOI-CRAIPNDOSA-N 1 0 347.459 3.346 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421755295 309338649 /nfs/dbraw/zinc/33/86/49/309338649.db2.gz FKIASTLIULHYFK-UHFFFAOYSA-N 1 0 333.432 3.063 10 5 EGBERO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365226 309397090 /nfs/dbraw/zinc/39/70/90/309397090.db2.gz DAEVKQXCYHJCAF-NIKGAXFTSA-N 1 0 325.412 3.272 10 5 EGBERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423365224 309397200 /nfs/dbraw/zinc/39/72/00/309397200.db2.gz DAEVKQXCYHJCAF-MDASCCDHSA-N 1 0 325.412 3.272 10 5 EGBERO CCCc1ncc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000449612022 310075260 /nfs/dbraw/zinc/07/52/60/310075260.db2.gz JJDWJMQZRSXPDS-GFCCVEGCSA-N 1 0 346.387 3.042 10 5 EGBERO Cc1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000449761399 310085280 /nfs/dbraw/zinc/08/52/80/310085280.db2.gz XDFOZJXCPLUSDW-UHFFFAOYSA-N 1 0 345.365 3.362 10 5 EGBERO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+]4CCC3CC4)n2)cc1 ZINC000450476304 310124985 /nfs/dbraw/zinc/12/49/85/310124985.db2.gz OSWSSPSLAOCSSF-UHFFFAOYSA-N 1 0 330.413 3.003 10 5 EGBERO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450859002 310146292 /nfs/dbraw/zinc/14/62/92/310146292.db2.gz LMVBQHLFVCIAPC-KBRIMQKVSA-N 1 0 332.400 3.041 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451152426 310162928 /nfs/dbraw/zinc/16/29/28/310162928.db2.gz CWVQGSDYFUIERE-UHFFFAOYSA-N 1 0 334.416 3.121 10 5 EGBERO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000452076110 310210454 /nfs/dbraw/zinc/21/04/54/310210454.db2.gz COCUBPANNUSUTL-AWEZNQCLSA-N 1 0 339.395 3.143 10 5 EGBERO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1[NH3+] ZINC000457375661 310450421 /nfs/dbraw/zinc/45/04/21/310450421.db2.gz YGWLNCMYMMCNFK-MKBNYLNASA-N 1 0 333.432 3.090 10 5 EGBERO CC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000458491264 310506362 /nfs/dbraw/zinc/50/63/62/310506362.db2.gz FRSWFPFYIPFRQT-WMLDXEAASA-N 1 0 348.447 3.172 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC1CCCCC1 ZINC000468652302 310691554 /nfs/dbraw/zinc/69/15/54/310691554.db2.gz HNWLLMRWWNPWDG-GXDHUFHOSA-N 1 0 331.416 3.037 10 5 EGBERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000475153443 310807746 /nfs/dbraw/zinc/80/77/46/310807746.db2.gz BCSNWXSXKUEODO-IRXDYDNUSA-N 1 0 345.443 3.288 10 5 EGBERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000475160917 310807844 /nfs/dbraw/zinc/80/78/44/310807844.db2.gz ZSZJMAMFHPOJSK-OWCLPIDISA-N 1 0 336.432 3.139 10 5 EGBERO COc1cc(CC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000486495866 310993876 /nfs/dbraw/zinc/99/38/76/310993876.db2.gz HHZZBBNWUWLPSK-UHFFFAOYSA-N 1 0 342.395 3.287 10 5 EGBERO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000492887835 311303336 /nfs/dbraw/zinc/30/33/36/311303336.db2.gz CDDRQVJYVBTWPD-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000511626717 312164907 /nfs/dbraw/zinc/16/49/07/312164907.db2.gz IRDXMDQVBLZGFR-OKILXGFUSA-N 1 0 347.459 3.390 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000539063067 314294126 /nfs/dbraw/zinc/29/41/26/314294126.db2.gz POUNMWXKWPJZAK-WCQYABFASA-N 1 0 341.358 3.479 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cc2c(c[nH+]1)CCC2 ZINC000552138551 315201199 /nfs/dbraw/zinc/20/11/99/315201199.db2.gz WSBAYBKVDLVFKR-GFCCVEGCSA-N 1 0 340.383 3.308 10 5 EGBERO CC(C)c1noc(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000570647842 317087100 /nfs/dbraw/zinc/08/71/00/317087100.db2.gz JOBLQHOXDDFTLP-CQSZACIVSA-N 1 0 330.388 3.311 10 5 EGBERO CCC[N@H+](C)C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000570838379 317115357 /nfs/dbraw/zinc/11/53/57/317115357.db2.gz SAITVCLPTOVGSW-CQSZACIVSA-N 1 0 332.448 3.037 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000581677152 325382474 /nfs/dbraw/zinc/38/24/74/325382474.db2.gz RYBFSIFSAKPFCQ-IRXDYDNUSA-N 1 0 339.395 3.049 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000584030518 325570484 /nfs/dbraw/zinc/57/04/84/325570484.db2.gz MMALBTWSTOOPCW-HNNXBMFYSA-N 1 0 347.459 3.279 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728616 460581677 /nfs/dbraw/zinc/58/16/77/460581677.db2.gz VTRUURCDWFDXDN-OSMZGAPFSA-N 1 0 331.338 3.115 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000008248321 453182608 /nfs/dbraw/zinc/18/26/08/453182608.db2.gz FPPBFSZGTYVJEY-NSHDSACASA-N 1 0 349.337 3.471 10 5 EGBERO CC(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+](C)C ZINC000012942888 453429218 /nfs/dbraw/zinc/42/92/18/453429218.db2.gz USTCZGDSESLMRB-ZDUSSCGKSA-N 1 0 335.429 3.126 10 5 EGBERO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000052685416 453841795 /nfs/dbraw/zinc/84/17/95/453841795.db2.gz BVANFJUSMRTOTM-UHFFFAOYSA-N 1 0 345.443 3.209 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCC[C@H]3O)cs2)c1 ZINC000077465857 454109084 /nfs/dbraw/zinc/10/90/84/454109084.db2.gz LREXFTVFOYYDOY-CZUORRHYSA-N 1 0 347.440 3.359 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cccc1[N+](=O)[O-] ZINC000089732413 454186243 /nfs/dbraw/zinc/18/62/43/454186243.db2.gz ZGYLEIPBOJHYOR-GJZGRUSLSA-N 1 0 341.415 3.013 10 5 EGBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2CCc2ccccc2)c1 ZINC000090010420 454262119 /nfs/dbraw/zinc/26/21/19/454262119.db2.gz OAJFYDFGQNKTJT-KRWDZBQOSA-N 1 0 328.416 3.279 10 5 EGBERO O=[N+]([O-])c1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c(F)c1 ZINC000600885926 460631074 /nfs/dbraw/zinc/63/10/74/460631074.db2.gz ZQOBDMVURQAFAE-XHDPSFHLSA-N 1 0 349.387 3.393 10 5 EGBERO CC[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090560949 454322662 /nfs/dbraw/zinc/32/26/62/454322662.db2.gz KKCAJOIONHIRNI-KRWDZBQOSA-N 1 0 348.447 3.220 10 5 EGBERO CC[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090603153 454325954 /nfs/dbraw/zinc/32/59/54/454325954.db2.gz NJNKMSVRIKXMHE-ZOBUZTSGSA-N 1 0 348.447 3.218 10 5 EGBERO Cc1sc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000064381654 454477514 /nfs/dbraw/zinc/47/75/14/454477514.db2.gz KCBFBVBVSPTGEM-UHFFFAOYSA-N 1 0 339.461 3.157 10 5 EGBERO Cc1csc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137015966 454764798 /nfs/dbraw/zinc/76/47/98/454764798.db2.gz HHDTTZJHYVIXJN-ZBFHGGJFSA-N 1 0 347.440 3.273 10 5 EGBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124744702 454766713 /nfs/dbraw/zinc/76/67/13/454766713.db2.gz GGLBTSXJKXJWNW-UKRRQHHQSA-N 1 0 347.459 3.447 10 5 EGBERO Cc1cccc(NC(=O)[C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153204391 454770372 /nfs/dbraw/zinc/77/03/72/454770372.db2.gz SPBLNNPNLRLOFD-AWEZNQCLSA-N 1 0 339.395 3.289 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000184940360 455475923 /nfs/dbraw/zinc/47/59/23/455475923.db2.gz NZZWBUMMROZFHH-HXOBKFHXSA-N 1 0 332.425 3.113 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000185004409 455485140 /nfs/dbraw/zinc/48/51/40/455485140.db2.gz JRIUCJMDLPPVGQ-RRQGHBQHSA-N 1 0 334.416 3.220 10 5 EGBERO CNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000178951612 454992938 /nfs/dbraw/zinc/99/29/38/454992938.db2.gz DSVPRNJQORMTKS-MRXNPFEDSA-N 1 0 347.440 3.184 10 5 EGBERO CC(C)c1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179467496 455050131 /nfs/dbraw/zinc/05/01/31/455050131.db2.gz UJXHRFVJCGHSQX-OAHLLOKOSA-N 1 0 329.404 3.147 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000129025090 455094859 /nfs/dbraw/zinc/09/48/59/455094859.db2.gz RBCJTLZLEFSYLC-KBXCAEBGSA-N 1 0 339.395 3.359 10 5 EGBERO COc1ccc(OCCN2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000173452546 455285730 /nfs/dbraw/zinc/28/57/30/455285730.db2.gz DVUDUKHPLIOWNO-NSHDSACASA-N 1 0 348.321 3.257 10 5 EGBERO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612582021 460668639 /nfs/dbraw/zinc/66/86/39/460668639.db2.gz LDVCCRAILWRMHB-HNNXBMFYSA-N 1 0 334.416 3.314 10 5 EGBERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817283 455386156 /nfs/dbraw/zinc/38/61/56/455386156.db2.gz BOKIFDVNYLISQD-WBVHZDCISA-N 1 0 344.411 3.302 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182085247 455431410 /nfs/dbraw/zinc/43/14/10/455431410.db2.gz HVRNPKDQDLLRRB-OAHLLOKOSA-N 1 0 341.411 3.154 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247275476 455582090 /nfs/dbraw/zinc/58/20/90/455582090.db2.gz FRMINEZHGVXYSO-NHYWBVRUSA-N 1 0 339.823 3.051 10 5 EGBERO CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192841543 455704484 /nfs/dbraw/zinc/70/44/84/455704484.db2.gz MHDFGOJTUHJDNW-KRWDZBQOSA-N 1 0 333.432 3.283 10 5 EGBERO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000270273140 455917704 /nfs/dbraw/zinc/91/77/04/455917704.db2.gz KVPBTGGMQNUQKQ-INIZCTEOSA-N 1 0 338.766 3.385 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)F ZINC000296391414 455926399 /nfs/dbraw/zinc/92/63/99/455926399.db2.gz KCFGSNOYYMWMCH-MJBXVCDLSA-N 1 0 328.359 3.311 10 5 EGBERO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)F ZINC000296391394 455926621 /nfs/dbraw/zinc/92/66/21/455926621.db2.gz KCFGSNOYYMWMCH-MELADBBJSA-N 1 0 328.359 3.311 10 5 EGBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000225548357 456091896 /nfs/dbraw/zinc/09/18/96/456091896.db2.gz QZFXXYYFKDPESA-OAHLLOKOSA-N 1 0 333.435 3.412 10 5 EGBERO COc1cc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000301613993 456162060 /nfs/dbraw/zinc/16/20/60/456162060.db2.gz HPXXZVURGNYJQP-UHFFFAOYSA-N 1 0 325.384 3.275 10 5 EGBERO COc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000301631709 456168881 /nfs/dbraw/zinc/16/88/81/456168881.db2.gz JHXJWAPIBQTVFQ-LBPRGKRZSA-N 1 0 325.384 3.053 10 5 EGBERO C[N@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCCC1 ZINC000342890517 456296662 /nfs/dbraw/zinc/29/66/62/456296662.db2.gz XEMUQUPKWCBXEA-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO COc1cc(C[NH2+][C@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352785337 456304765 /nfs/dbraw/zinc/30/47/65/456304765.db2.gz XQFNIWSDMSYKOX-MRXNPFEDSA-N 1 0 330.384 3.207 10 5 EGBERO C[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000302377785 456337796 /nfs/dbraw/zinc/33/77/96/456337796.db2.gz GBBPSMWQWPJTFC-SFHVURJKSA-N 1 0 326.400 3.456 10 5 EGBERO C[C@H](CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC000352849325 456361808 /nfs/dbraw/zinc/36/18/08/456361808.db2.gz OMISPJPDBLHKLS-NMCNPDOESA-N 1 0 346.452 3.431 10 5 EGBERO O=C1[C@@H]([N@@H+]2CCC3(C2)CCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303956481 456497268 /nfs/dbraw/zinc/49/72/68/456497268.db2.gz XMRMEMPVIAFUBB-KRWDZBQOSA-N 1 0 343.427 3.356 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H]1n1cccn1 ZINC000340537224 456518879 /nfs/dbraw/zinc/51/88/79/456518879.db2.gz LIBPIZXKMRRRNM-PLYYQAHHSA-N 1 0 344.415 3.169 10 5 EGBERO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000326741599 456699563 /nfs/dbraw/zinc/69/95/63/456699563.db2.gz VANWISBXCQXEFP-UXLLHSPISA-N 1 0 334.416 3.119 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(-c3ccccn3)s2)cc1 ZINC000344219148 456807589 /nfs/dbraw/zinc/80/75/89/456807589.db2.gz NDZLQESPCHFSMB-UHFFFAOYSA-N 1 0 340.408 3.446 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341469153 456866534 /nfs/dbraw/zinc/86/65/34/456866534.db2.gz XEOQFRXKSREIPR-ZIAGYGMSSA-N 1 0 334.420 3.288 10 5 EGBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000362603493 456999285 /nfs/dbraw/zinc/99/92/85/456999285.db2.gz NIUOHRNEBULTTI-UHFFFAOYSA-N 1 0 333.432 3.064 10 5 EGBERO COc1cc(C[N@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000352669739 457515447 /nfs/dbraw/zinc/51/54/47/457515447.db2.gz BESKMASWIQCOCS-UHFFFAOYSA-N 1 0 342.395 3.211 10 5 EGBERO CSc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000364493535 457624142 /nfs/dbraw/zinc/62/41/42/457624142.db2.gz IULDOFQHGYGZHH-YHWZYXNKSA-N 1 0 349.456 3.062 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000425980072 457752111 /nfs/dbraw/zinc/75/21/11/457752111.db2.gz MPICDXNKLNQGCI-OLZOCXBDSA-N 1 0 346.383 3.066 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411303125 457855118 /nfs/dbraw/zinc/85/51/18/457855118.db2.gz UPHMYQMNEVNKFZ-STQMWFEESA-N 1 0 335.404 3.052 10 5 EGBERO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426765659 457896180 /nfs/dbraw/zinc/89/61/80/457896180.db2.gz QYXZFCOXXLIUPA-TXEJJXNPSA-N 1 0 337.807 3.309 10 5 EGBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651715 457927047 /nfs/dbraw/zinc/92/70/47/457927047.db2.gz RSRFNYCAMPMAOL-LBPRGKRZSA-N 1 0 340.383 3.240 10 5 EGBERO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444702447 457949404 /nfs/dbraw/zinc/94/94/04/457949404.db2.gz INWWONKWTYGYAO-KRWDZBQOSA-N 1 0 344.411 3.083 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000371546177 457983470 /nfs/dbraw/zinc/98/34/70/457983470.db2.gz LAGCXKUZFKEWMW-QFBILLFUSA-N 1 0 342.395 3.341 10 5 EGBERO Cc1ccc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000371730879 458050955 /nfs/dbraw/zinc/05/09/55/458050955.db2.gz AOENHNQKXLEQHJ-IBGZPJMESA-N 1 0 341.411 3.211 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059400 458073745 /nfs/dbraw/zinc/07/37/45/458073745.db2.gz XEKFGQGUWMHNNU-GDBMZVCRSA-N 1 0 331.416 3.133 10 5 EGBERO CCOC(=O)c1cc(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000373679051 458571712 /nfs/dbraw/zinc/57/17/12/458571712.db2.gz DEJQOCPGFOFHMV-UHFFFAOYSA-N 1 0 347.415 3.200 10 5 EGBERO CC[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000431863075 458636474 /nfs/dbraw/zinc/63/64/74/458636474.db2.gz CLXSBLRKWYUMMS-RDJZCZTQSA-N 1 0 333.432 3.427 10 5 EGBERO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000456540370 458707613 /nfs/dbraw/zinc/70/76/13/458707613.db2.gz ZOVLQCBGDFRPQL-GFCCVEGCSA-N 1 0 339.823 3.113 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000547278999 458713735 /nfs/dbraw/zinc/71/37/35/458713735.db2.gz FSUSAZCKJSJOTB-HNNXBMFYSA-N 1 0 333.432 3.296 10 5 EGBERO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006506 458875931 /nfs/dbraw/zinc/87/59/31/458875931.db2.gz CAGDEOZQSZQISG-IFXJQAMLSA-N 1 0 342.395 3.298 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000531955542 459006583 /nfs/dbraw/zinc/00/65/83/459006583.db2.gz WSZAZFWMSMSHNY-CABCVRRESA-N 1 0 341.415 3.013 10 5 EGBERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2c2cccnc12 ZINC000567048120 459040023 /nfs/dbraw/zinc/04/00/23/459040023.db2.gz MSCPCLRXPHQTBF-MRXNPFEDSA-N 1 0 341.361 3.115 10 5 EGBERO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589409 459100489 /nfs/dbraw/zinc/10/04/89/459100489.db2.gz JLUNNMGTSCGWRQ-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC(O)(C3CC3)C3CC3)o2)c1 ZINC000594982428 459204919 /nfs/dbraw/zinc/20/49/19/459204919.db2.gz FKJSEWCUIZKKLZ-UHFFFAOYSA-N 1 0 342.395 3.496 10 5 EGBERO C[C@@H]1CCCCN1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480628673 459210085 /nfs/dbraw/zinc/21/00/85/459210085.db2.gz YTCFZGQGBMUVNA-QAPCUYQASA-N 1 0 331.460 3.380 10 5 EGBERO COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595024679 459220165 /nfs/dbraw/zinc/22/01/65/459220165.db2.gz CIEYQARNAWECLT-YOEHRIQHSA-N 1 0 336.432 3.386 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595099341 459244372 /nfs/dbraw/zinc/24/43/72/459244372.db2.gz LLBNQLBCHUNCRF-CYBMUJFWSA-N 1 0 349.431 3.080 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595098881 459244680 /nfs/dbraw/zinc/24/46/80/459244680.db2.gz KDVXWUCFTWGDHV-OAHLLOKOSA-N 1 0 347.459 3.331 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226669 459258108 /nfs/dbraw/zinc/25/81/08/459258108.db2.gz YELIXTDREXZRFE-DOTOQJQBSA-N 1 0 345.443 3.206 10 5 EGBERO Cc1cc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595230258 459259571 /nfs/dbraw/zinc/25/95/71/459259571.db2.gz CTIRKRVMENOMCK-HNNXBMFYSA-N 1 0 346.431 3.147 10 5 EGBERO O=[N+]([O-])c1ccsc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000591197132 459330706 /nfs/dbraw/zinc/33/07/06/459330706.db2.gz QCAJUBFSZOJRIN-UHFFFAOYSA-N 1 0 347.440 3.095 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000591306238 459350857 /nfs/dbraw/zinc/35/08/57/459350857.db2.gz SIVYSYFXCZUZQI-UHFFFAOYSA-N 1 0 334.420 3.237 10 5 EGBERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000595732735 459418857 /nfs/dbraw/zinc/41/88/57/459418857.db2.gz HXVFLBCGDAWTKV-GVDBMIGSSA-N 1 0 332.400 3.149 10 5 EGBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000595831498 459456697 /nfs/dbraw/zinc/45/66/97/459456697.db2.gz DBXCDLCZWJYRTM-CQSZACIVSA-N 1 0 332.400 3.473 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592178362 459543677 /nfs/dbraw/zinc/54/36/77/459543677.db2.gz ZNTYBOGMZFVICX-KRWDZBQOSA-N 1 0 334.416 3.046 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592179224 459543844 /nfs/dbraw/zinc/54/38/44/459543844.db2.gz AJTGIVYXXNRSRE-KRWDZBQOSA-N 1 0 334.416 3.046 10 5 EGBERO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000498027095 459565415 /nfs/dbraw/zinc/56/54/15/459565415.db2.gz RXHBPGJRNQXHTN-INIZCTEOSA-N 1 0 335.448 3.390 10 5 EGBERO C[NH+]1CCC2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000596239160 459571432 /nfs/dbraw/zinc/57/14/32/459571432.db2.gz XWBCTQYEGKOZQW-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596308815 459591937 /nfs/dbraw/zinc/59/19/37/459591937.db2.gz VYLORGYZDFSGRO-SNVBAGLBSA-N 1 0 343.225 3.037 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000596422511 459632620 /nfs/dbraw/zinc/63/26/20/459632620.db2.gz CZWPJGPUXXCFMH-QGZVFWFLSA-N 1 0 341.411 3.082 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596656778 459716818 /nfs/dbraw/zinc/71/68/18/459716818.db2.gz FYANCGXRVNILDP-ZDUSSCGKSA-N 1 0 348.447 3.002 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000544608223 459771929 /nfs/dbraw/zinc/77/19/29/459771929.db2.gz MOTHCQLURNKCGE-UHFFFAOYSA-N 1 0 345.468 3.325 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2(CO)CCC2)o1 ZINC000593693514 459954760 /nfs/dbraw/zinc/95/47/60/459954760.db2.gz NRNQEVFGLAILKQ-UHFFFAOYSA-N 1 0 330.384 3.497 10 5 EGBERO C[NH2+]Cc1ccccc1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000593764221 459979264 /nfs/dbraw/zinc/97/92/64/459979264.db2.gz ZAFWUPHZCHXXTG-UHFFFAOYSA-N 1 0 342.399 3.253 10 5 EGBERO CC[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073661 460151622 /nfs/dbraw/zinc/15/16/22/460151622.db2.gz GQKYFKKERHTZFJ-MSOLQXFVSA-N 1 0 339.395 3.462 10 5 EGBERO Cc1c([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000599081437 460155582 /nfs/dbraw/zinc/15/55/82/460155582.db2.gz LAQGJDHAUBLQLF-AWEZNQCLSA-N 1 0 333.432 3.202 10 5 EGBERO CCC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599092079 460159023 /nfs/dbraw/zinc/15/90/23/460159023.db2.gz FBHIXQYUNULPOS-SJORKVTESA-N 1 0 331.416 3.179 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599604056 460285656 /nfs/dbraw/zinc/28/56/56/460285656.db2.gz JZGJVEVNADUPHV-OAHLLOKOSA-N 1 0 346.431 3.298 10 5 EGBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599625837 460291681 /nfs/dbraw/zinc/29/16/81/460291681.db2.gz PVIFIQFESCIOEH-OVZMXSCWSA-N 1 0 331.372 3.151 10 5 EGBERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673377 460305326 /nfs/dbraw/zinc/30/53/26/460305326.db2.gz QBBCSXPQISSECT-CYBMUJFWSA-N 1 0 347.415 3.197 10 5 EGBERO C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689239 460312616 /nfs/dbraw/zinc/31/26/16/460312616.db2.gz HWJBWUKZARIMGU-REUDQUMMSA-N 1 0 334.416 3.013 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599787218 460333591 /nfs/dbraw/zinc/33/35/91/460333591.db2.gz QJHIFKIGZZTVFH-MRXNPFEDSA-N 1 0 346.431 3.296 10 5 EGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600469384 460499667 /nfs/dbraw/zinc/49/96/67/460499667.db2.gz AKEZZWNCGHNPTQ-ZDUSSCGKSA-N 1 0 349.456 3.063 10 5 EGBERO Cc1cc(N2CCO[C@H](C(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000601232913 460758384 /nfs/dbraw/zinc/75/83/84/460758384.db2.gz VJFVYJAAJKWVSK-HNNXBMFYSA-N 1 0 337.326 3.312 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)c2c1 ZINC000601281543 460776208 /nfs/dbraw/zinc/77/62/08/460776208.db2.gz ZKVOYYSXUOCPPA-WBAXXEDZSA-N 1 0 341.411 3.166 10 5 EGBERO [NH3+]Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000601323678 460788878 /nfs/dbraw/zinc/78/88/78/460788878.db2.gz DGDMKLPZLFSDTP-UHFFFAOYSA-N 1 0 333.775 3.106 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601565991 460834430 /nfs/dbraw/zinc/83/44/30/460834430.db2.gz KTLAMKHGSHFSHV-ZDUSSCGKSA-N 1 0 334.420 3.057 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000181544897 529174851 /nfs/dbraw/zinc/17/48/51/529174851.db2.gz JNSSIQWJJYOYND-IAGOWNOFSA-N 1 0 345.355 3.277 10 5 EGBERO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000348055997 535903303 /nfs/dbraw/zinc/90/33/03/535903303.db2.gz XBMXZIWQIQFFKI-AWEZNQCLSA-N 1 0 332.404 3.065 10 5 EGBERO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351930831 536753513 /nfs/dbraw/zinc/75/35/13/536753513.db2.gz JZNJAEBVFXBTMI-MRXNPFEDSA-N 1 0 333.432 3.054 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730732455 575014930 /nfs/dbraw/zinc/01/49/30/575014930.db2.gz ZWSADQWNSBHGLU-STQMWFEESA-N 1 0 336.461 3.144 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000871358712 1296366905 /nfs/dbraw/zinc/36/69/05/1296366905.db2.gz CYYLPTLKAPQQJT-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041686 1296691655 /nfs/dbraw/zinc/69/16/55/1296691655.db2.gz JZQWXKXOXFHDIR-RYUDHWBXSA-N 1 0 348.353 3.198 10 5 EGBERO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068762 1296714891 /nfs/dbraw/zinc/71/48/91/1296714891.db2.gz IGLXGSSXTKEZOY-HIFRSBDPSA-N 1 0 332.375 3.378 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872082122 1296724206 /nfs/dbraw/zinc/72/42/06/1296724206.db2.gz PSKLOSXNWIMAJG-YJYMSZOUSA-N 1 0 344.386 3.261 10 5 EGBERO COC[C@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872085582 1296725054 /nfs/dbraw/zinc/72/50/54/1296725054.db2.gz PJCKUXMKLAPSHO-YPMHNXCESA-N 1 0 328.434 3.019 10 5 EGBERO O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000872113189 1296739473 /nfs/dbraw/zinc/73/94/73/1296739473.db2.gz NBWFWUYQRXCJMB-WMLDXEAASA-N 1 0 332.400 3.295 10 5 EGBERO CC(C)OC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000872116569 1296741645 /nfs/dbraw/zinc/74/16/45/1296741645.db2.gz SLUVEVGZWQOTGR-LSDHHAIUSA-N 1 0 336.436 3.212 10 5 EGBERO CC(C)CNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000890938548 1304924998 /nfs/dbraw/zinc/92/49/98/1304924998.db2.gz HTEMCZXDWGPNBM-CQSZACIVSA-N 1 0 333.432 3.140 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000895610597 1309428034 /nfs/dbraw/zinc/42/80/34/1309428034.db2.gz DZBPKIHWFOGTIJ-GFCCVEGCSA-N 1 0 329.194 3.016 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCC4(CCC4)CO3)nc2c1 ZINC000895807377 1309529905 /nfs/dbraw/zinc/52/99/05/1309529905.db2.gz SQABOJZAJBRDJO-CYBMUJFWSA-N 1 0 331.372 3.175 10 5 EGBERO Cc1ccc(O[C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858011110 1328656930 /nfs/dbraw/zinc/65/69/30/1328656930.db2.gz KDWOIFWYOQRIQV-XQDHMALISA-N 1 0 339.395 3.465 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@H+](CCOC2CCSCC2)C2CC2)cc1 ZINC000930141164 1328797113 /nfs/dbraw/zinc/79/71/13/1328797113.db2.gz SLDBCWCJSPKTOU-UHFFFAOYSA-N 1 0 336.457 3.471 10 5 EGBERO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C[NH+]1CCCC1 ZINC000858627002 1328813870 /nfs/dbraw/zinc/81/38/70/1328813870.db2.gz ONZUGYVDELPVLZ-CQSZACIVSA-N 1 0 341.411 3.210 10 5 EGBERO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000858781534 1328859503 /nfs/dbraw/zinc/85/95/03/1328859503.db2.gz WSQAKXHYNQFTLV-ZDUSSCGKSA-N 1 0 335.404 3.041 10 5 EGBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000859120142 1328926999 /nfs/dbraw/zinc/92/69/99/1328926999.db2.gz MROBKKOYWMCLPW-HNNXBMFYSA-N 1 0 339.395 3.058 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000859564450 1329018638 /nfs/dbraw/zinc/01/86/38/1329018638.db2.gz DNPKJPLQQIZOBY-ROUUACIJSA-N 1 0 327.384 3.154 10 5 EGBERO COc1ccc(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000924840145 1323184600 /nfs/dbraw/zinc/18/46/00/1323184600.db2.gz AWEAGSYLQDHXHK-LBPRGKRZSA-N 1 0 330.388 3.376 10 5 EGBERO CCC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778974 1325297518 /nfs/dbraw/zinc/29/75/18/1325297518.db2.gz LCVMPCZGQQQYCS-HIFRSBDPSA-N 1 0 327.375 3.270 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@]2(C(F)(F)F)CCCN2)cccc1[N+](=O)[O-] ZINC000925858701 1325334552 /nfs/dbraw/zinc/33/45/52/1325334552.db2.gz YEEWRTKRPDNUDD-FZMZJTMJSA-N 1 0 331.338 3.238 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926964797 1327802098 /nfs/dbraw/zinc/80/20/98/1327802098.db2.gz UCUQEBBAZSNASQ-BXUZGUMPSA-N 1 0 333.354 3.436 10 5 EGBERO C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000927151007 1327894184 /nfs/dbraw/zinc/89/41/84/1327894184.db2.gz ADHIKXYMLGLBSP-BJZITVGISA-N 1 0 326.396 3.338 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927163721 1327901075 /nfs/dbraw/zinc/90/10/75/1327901075.db2.gz NRASLIHGAJRMSE-XJKSGUPXSA-N 1 0 347.415 3.003 10 5 EGBERO O=C(OCC12CCC[NH+](CCC1)C2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000861357774 1329412436 /nfs/dbraw/zinc/41/24/36/1329412436.db2.gz UBGACWJMIHSICG-UHFFFAOYSA-N 1 0 344.367 3.374 10 5 EGBERO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862797306 1329510602 /nfs/dbraw/zinc/51/06/02/1329510602.db2.gz WCCMDFHEBZDMML-AWEZNQCLSA-N 1 0 341.411 3.210 10 5 EGBERO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866168981 1330073033 /nfs/dbraw/zinc/07/30/33/1330073033.db2.gz KNBCJNYFSFVZER-UHFFFAOYSA-N 1 0 348.447 3.427 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@H]21 ZINC000866207709 1330078419 /nfs/dbraw/zinc/07/84/19/1330078419.db2.gz JBQUVMZBTNMRPT-CZUORRHYSA-N 1 0 344.440 3.249 10 5 EGBERO Cc1ccc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000866539876 1330123846 /nfs/dbraw/zinc/12/38/46/1330123846.db2.gz RJPNIKMFVLXCDO-HNNXBMFYSA-N 1 0 341.411 3.434 10 5 EGBERO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000868162703 1330257236 /nfs/dbraw/zinc/25/72/36/1330257236.db2.gz HUXOPOOFTXVFSF-UHFFFAOYSA-N 1 0 342.399 3.334 10 5 EGBERO C[N@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])C1CCCCC1 ZINC001185046589 1387597337 /nfs/dbraw/zinc/59/73/37/1387597337.db2.gz RIBZUSMXXMBDEN-UHFFFAOYSA-N 1 0 328.416 3.241 10 5 EGBERO C[C@@H]1CCC[C@@H]([N@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190682912 1367327335 /nfs/dbraw/zinc/32/73/35/1367327335.db2.gz PXDYWABPXUXTQB-IIAWOOMASA-N 1 0 334.416 3.319 10 5 EGBERO CCOc1ccc(NC(=O)CN2C[C@H](CC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001196176527 1368563340 /nfs/dbraw/zinc/56/33/40/1368563340.db2.gz WGFIUQUPSHKYMD-ZIAGYGMSSA-N 1 0 349.431 3.443 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001119572978 1371367417 /nfs/dbraw/zinc/36/74/17/1371367417.db2.gz SAIHCGQHLDROLF-UHFFFAOYSA-N 1 0 347.459 3.343 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC001326466391 1388201192 /nfs/dbraw/zinc/20/11/92/1388201192.db2.gz YBVNBYOKBJBFMA-KBPBESRZSA-N 1 0 328.372 3.465 10 5 EGBERO Cc1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001127462238 1373129197 /nfs/dbraw/zinc/12/91/97/1373129197.db2.gz OUOVPFJTNQRCPQ-INIZCTEOSA-N 1 0 339.395 3.364 10 5 EGBERO CC[C@H](OC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001127710739 1373165575 /nfs/dbraw/zinc/16/55/75/1373165575.db2.gz QBXIXTRJCMUAPG-KRWDZBQOSA-N 1 0 332.400 3.464 10 5 EGBERO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130585684 1373566312 /nfs/dbraw/zinc/56/63/12/1373566312.db2.gz LDTPWGQYUIEQDH-BFHYXJOUSA-N 1 0 347.459 3.445 10 5 EGBERO C[N@H+](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC001148159129 1379125979 /nfs/dbraw/zinc/12/59/79/1379125979.db2.gz GOIWZWMLMPYRLN-UHFFFAOYSA-N 1 0 333.432 3.242 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001162258357 1382707762 /nfs/dbraw/zinc/70/77/62/1382707762.db2.gz JYTOTQNBTDXZQM-GXTWGEPZSA-N 1 0 349.431 3.222 10 5 EGBERO COC(=O)/C=C\c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC001163449479 1383054398 /nfs/dbraw/zinc/05/43/98/1383054398.db2.gz AYAFVYICSOPLIY-POHAHGRESA-N 1 0 347.415 3.067 10 5 EGBERO CCOc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164176928 1383163166 /nfs/dbraw/zinc/16/31/66/1383163166.db2.gz ICDUHKOOQXHMFB-AWEZNQCLSA-N 1 0 342.399 3.104 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c2ncccc12 ZINC001164191151 1383164719 /nfs/dbraw/zinc/16/47/19/1383164719.db2.gz ZJJRGEJTZLAFPE-INIZCTEOSA-N 1 0 334.379 3.294 10 5 EGBERO Cc1ncsc1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001167004058 1383515135 /nfs/dbraw/zinc/51/51/35/1383515135.db2.gz DJLLTNUYEUOLLK-UHFFFAOYSA-N 1 0 346.456 3.115 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC001167656297 1383700175 /nfs/dbraw/zinc/70/01/75/1383700175.db2.gz IRFQLVFWCAKPNS-SFHVURJKSA-N 1 0 328.416 3.355 10 5 EGBERO CCO[C@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001167665310 1383704651 /nfs/dbraw/zinc/70/46/51/1383704651.db2.gz ZDIDKFFHNLLNBB-IRXDYDNUSA-N 1 0 334.416 3.253 10 5 EGBERO CC[N@H+](CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C(C)C ZINC001306956399 1383925881 /nfs/dbraw/zinc/92/58/81/1383925881.db2.gz DOUVIWUAMBXIIA-UHFFFAOYSA-N 1 0 336.823 3.361 10 5 EGBERO C[NH+](C)[C@@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001307149296 1383946214 /nfs/dbraw/zinc/94/62/14/1383946214.db2.gz FMAZTDOHYUFYKK-LSDHHAIUSA-N 1 0 348.834 3.359 10 5 EGBERO CC(C)CSCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415111 1383985428 /nfs/dbraw/zinc/98/54/28/1383985428.db2.gz MHHDROAGBJHKHK-UHFFFAOYSA-N 1 0 337.489 3.496 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H]1CCC[C@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634015 1384006020 /nfs/dbraw/zinc/00/60/20/1384006020.db2.gz UHXLLLTUWAJMTE-RCCFBDPRSA-N 1 0 334.416 3.364 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC001168838709 1384027692 /nfs/dbraw/zinc/02/76/92/1384027692.db2.gz QCAVBRFWQZVZRX-LSDHHAIUSA-N 1 0 335.448 3.297 10 5 EGBERO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC001169754180 1384182873 /nfs/dbraw/zinc/18/28/73/1384182873.db2.gz ITLMUYPDEORGPG-UHFFFAOYSA-N 1 0 332.231 3.428 10 5 EGBERO CC[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001312432637 1384347740 /nfs/dbraw/zinc/34/77/40/1384347740.db2.gz FTOXRTVCYOVQBU-INIZCTEOSA-N 1 0 348.447 3.077 10 5 EGBERO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080690 1386498161 /nfs/dbraw/zinc/49/81/61/1386498161.db2.gz KKPIVQNWZKEJOM-IFXJQAMLSA-N 1 0 344.411 3.200 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCCCCC1 ZINC001322481243 1387194103 /nfs/dbraw/zinc/19/41/03/1387194103.db2.gz NWUONAKCWGSDBG-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1cc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001344874462 1390820926 /nfs/dbraw/zinc/82/09/26/1390820926.db2.gz CWSSSKUCHDXYNO-UHFFFAOYSA-N 1 0 334.420 3.288 10 5 EGBERO CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001347656176 1391107039 /nfs/dbraw/zinc/10/70/39/1391107039.db2.gz AYFUXFUFENLNLG-STQMWFEESA-N 1 0 339.411 3.074 10 5 EGBERO CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479285070 1392205638 /nfs/dbraw/zinc/20/56/38/1392205638.db2.gz LFKTUFWQXREMDW-QGDQWMDISA-N 1 0 345.443 3.182 10 5 EGBERO CCCN(C(=O)C1CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001490606742 1394280149 /nfs/dbraw/zinc/28/01/49/1394280149.db2.gz HOQDDKGDGSKUKL-UHFFFAOYSA-N 1 0 345.443 3.208 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@H](C)CC1 ZINC001497487058 1396765341 /nfs/dbraw/zinc/76/53/41/1396765341.db2.gz YFUHVIUTUMIUHJ-WKILWMFISA-N 1 0 347.459 3.359 10 5 EGBERO CN(C(=O)CC1(C)CC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001690024908 1404263648 /nfs/dbraw/zinc/26/36/48/1404263648.db2.gz WGSVUVVQCFYWRW-UHFFFAOYSA-N 1 0 345.443 3.208 10 5 EGBERO C[N@H+](CCNC(=O)C1(C)CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690973668 1404882665 /nfs/dbraw/zinc/88/26/65/1404882665.db2.gz PHDGOJAKGIKAAG-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CC[N@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691034248 1404942929 /nfs/dbraw/zinc/94/29/29/1404942929.db2.gz JRLULTMDQYUCLG-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CC(C)(C)/C=C\C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691694278 1405428490 /nfs/dbraw/zinc/42/84/90/1405428490.db2.gz JVGTYEREBWOPHF-CMKSSICZSA-N 1 0 345.443 3.182 10 5 EGBERO CC[N@H+](CCNC(=O)c1c(C)coc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001731801104 1427963541 /nfs/dbraw/zinc/96/35/41/1427963541.db2.gz JLDRCBLQHYLDDD-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001700188323 1413613073 /nfs/dbraw/zinc/61/30/73/1413613073.db2.gz VFWHYQMEKDKIBB-UHFFFAOYSA-N 1 0 347.440 3.250 10 5 EGBERO CC(C)=C(C)CC(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001732888777 1429029403 /nfs/dbraw/zinc/02/94/03/1429029403.db2.gz XGHNFWIKWXSPKU-PLNGDYQASA-N 1 0 331.416 3.103 10 5 EGBERO CCC1(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001712965874 1417520520 /nfs/dbraw/zinc/52/05/20/1417520520.db2.gz LFAWLEICEDUVCN-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO C/C=C(/C)C(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001716793967 1420926947 /nfs/dbraw/zinc/92/69/47/1420926947.db2.gz DDKVPKUVKDRKHP-CPSFFCFKSA-N 1 0 331.416 3.032 10 5 EGBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)CC2CC2)CC1 ZINC001724878562 1425259730 /nfs/dbraw/zinc/25/97/30/1425259730.db2.gz CAXBQFXNPMNBEU-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268574207 252035654 /nfs/dbraw/zinc/03/56/54/252035654.db2.gz POQJAWHYDIADFK-HNNXBMFYSA-N 1 0 345.424 3.003 10 5 EGBERO C[C@@H]1CO[C@@H](c2ccccc2)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153935639 224178617 /nfs/dbraw/zinc/17/86/17/224178617.db2.gz DOJAURZXCOCOKH-MDASCCDHSA-N 1 0 342.395 3.090 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119263803 221279859 /nfs/dbraw/zinc/27/98/59/221279859.db2.gz LYHOQCMBBVALDS-QGZVFWFLSA-N 1 0 344.415 3.166 10 5 EGBERO COc1cc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925211 141218586 /nfs/dbraw/zinc/21/85/86/141218586.db2.gz GSLDTBJJIAQUNC-ZBFHGGJFSA-N 1 0 347.459 3.346 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1ccccc1 ZINC000344795359 144226155 /nfs/dbraw/zinc/22/61/55/144226155.db2.gz RGXNWKZLCVIQNQ-QINSGFPZSA-N 1 0 339.395 3.018 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000120346180 152269262 /nfs/dbraw/zinc/26/92/62/152269262.db2.gz SOJZVPHPFYMJGN-UHFFFAOYSA-N 1 0 332.331 3.141 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000191333792 153188253 /nfs/dbraw/zinc/18/82/53/153188253.db2.gz ZHUYODJNWHLABM-ZFWWWQNUSA-N 1 0 334.420 3.062 10 5 EGBERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000305890157 154136434 /nfs/dbraw/zinc/13/64/34/154136434.db2.gz KOMAMNSMSPNABB-UHFFFAOYSA-N 1 0 347.802 3.239 10 5 EGBERO CC1CC[NH+](Cc2ccccc2CNc2ccncc2[N+](=O)[O-])CC1 ZINC000340154073 155116557 /nfs/dbraw/zinc/11/65/57/155116557.db2.gz ZQHAEIXZEGQRIR-UHFFFAOYSA-N 1 0 340.427 3.256 10 5 EGBERO Cn1nccc1-c1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000352633401 156390533 /nfs/dbraw/zinc/39/05/33/156390533.db2.gz NRXBAIWEFLMCEX-UHFFFAOYSA-N 1 0 336.395 3.328 10 5 EGBERO CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)cc1 ZINC000338834521 163359112 /nfs/dbraw/zinc/35/91/12/163359112.db2.gz SHDGFUALUARAFE-OAHLLOKOSA-N 1 0 332.429 3.427 10 5 EGBERO COc1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352400876 165382264 /nfs/dbraw/zinc/38/22/64/165382264.db2.gz VRSAVCKQPXPYQE-INIZCTEOSA-N 1 0 333.432 3.054 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359553028 167190899 /nfs/dbraw/zinc/19/08/99/167190899.db2.gz GXMWHPZWIQVOIK-FZKQIMNGSA-N 1 0 331.416 3.354 10 5 EGBERO Cc1c(CNCc2nccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000359806116 167237677 /nfs/dbraw/zinc/23/76/77/167237677.db2.gz SSYJNXOSBXOBHJ-UHFFFAOYSA-N 1 0 336.395 3.438 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000252059579 287229149 /nfs/dbraw/zinc/22/91/49/287229149.db2.gz ZOZQMTOYSCQSGK-CVEARBPZSA-N 1 0 345.443 3.417 10 5 EGBERO Cc1cccc(NC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C2)[nH+]1 ZINC000171365293 227042139 /nfs/dbraw/zinc/04/21/39/227042139.db2.gz FOXRYCJTGHUEKJ-ZDUSSCGKSA-N 1 0 330.363 3.376 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000174185618 265029372 /nfs/dbraw/zinc/02/93/72/265029372.db2.gz VFZCRNBWKCNDJN-UHFFFAOYSA-N 1 0 334.420 3.147 10 5 EGBERO CC[C@@H](NC(=O)NCCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000175524887 265119251 /nfs/dbraw/zinc/11/92/51/265119251.db2.gz YZPVWBRDDBMYAY-MRXNPFEDSA-N 1 0 336.436 3.077 10 5 EGBERO COc1ccc(NC(=O)CC[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177523336 265261151 /nfs/dbraw/zinc/26/11/51/265261151.db2.gz BKTAWTRMNPSCNY-ZIAGYGMSSA-N 1 0 347.415 3.054 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](NCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000180003853 265394594 /nfs/dbraw/zinc/39/45/94/265394594.db2.gz PTBMXDPLBQSQGA-LJQANCHMSA-N 1 0 325.412 3.370 10 5 EGBERO CC(=O)c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000287392633 276115352 /nfs/dbraw/zinc/11/53/52/276115352.db2.gz PBFGKYBCUURHNA-MRXNPFEDSA-N 1 0 331.416 3.252 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000289444345 276339771 /nfs/dbraw/zinc/33/97/71/276339771.db2.gz WTQOESMQCNTYGM-UHFFFAOYSA-N 1 0 345.374 3.329 10 5 EGBERO CCOc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000096011596 276381395 /nfs/dbraw/zinc/38/13/95/276381395.db2.gz QDTYNUUATKBOFE-CABCVRRESA-N 1 0 333.432 3.445 10 5 EGBERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000289755382 276388783 /nfs/dbraw/zinc/38/87/83/276388783.db2.gz RLDAUGVSJMAKCK-WDEREUQCSA-N 1 0 340.811 3.195 10 5 EGBERO CCC[N@H+](CCc1ccccn1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289808332 276398537 /nfs/dbraw/zinc/39/85/37/276398537.db2.gz NHTDWLLPWHZNBB-UHFFFAOYSA-N 1 0 329.400 3.453 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000043149625 301863635 /nfs/dbraw/zinc/86/36/35/301863635.db2.gz CIRQJJIFLLZCTP-QGZVFWFLSA-N 1 0 342.399 3.328 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000077419258 307412403 /nfs/dbraw/zinc/41/24/03/307412403.db2.gz XPEBWDIAQUOQFS-HUUCEWRRSA-N 1 0 343.427 3.469 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](CO)C3)o2)c1 ZINC000414585474 309090760 /nfs/dbraw/zinc/09/07/60/309090760.db2.gz UBOZXYSMYCZDKL-DZGCQCFKSA-N 1 0 330.384 3.496 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295742218 308355728 /nfs/dbraw/zinc/35/57/28/308355728.db2.gz WRFZKGIQXGJZFS-ZIAGYGMSSA-N 1 0 333.432 3.269 10 5 EGBERO COCC[NH+]1CCC(CNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302679163 308741859 /nfs/dbraw/zinc/74/18/59/308741859.db2.gz ODSZKXBZLZDOOM-UHFFFAOYSA-N 1 0 341.839 3.327 10 5 EGBERO CN(c1nccc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413282422 309024978 /nfs/dbraw/zinc/02/49/78/309024978.db2.gz POTPMALBBASLTA-MZBDJJRSSA-N 1 0 326.400 3.204 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415700992 309141382 /nfs/dbraw/zinc/14/13/82/309141382.db2.gz NRLZTQDODPBCPJ-NWDGAFQWSA-N 1 0 334.420 3.141 10 5 EGBERO CC(C)(NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000416001545 309153984 /nfs/dbraw/zinc/15/39/84/309153984.db2.gz ZRAXUYKYFPKKTK-UHFFFAOYSA-N 1 0 340.383 3.255 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNCc1cccnc1)CCC2 ZINC000423182016 309389339 /nfs/dbraw/zinc/38/93/39/309389339.db2.gz DPLHXSHPGIHVCV-IBGZPJMESA-N 1 0 340.427 3.137 10 5 EGBERO C[C@@H]1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423385191 309398264 /nfs/dbraw/zinc/39/82/64/309398264.db2.gz QNTOQNLGGINZDW-LSBZLQRGSA-N 1 0 325.412 3.414 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000432366985 309658876 /nfs/dbraw/zinc/65/88/76/309658876.db2.gz DXWJRZXOUYLRCS-MLGOLLRUSA-N 1 0 346.383 3.378 10 5 EGBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000449185952 310043045 /nfs/dbraw/zinc/04/30/45/310043045.db2.gz BMFDLZINZOFBMS-HIFRSBDPSA-N 1 0 334.807 3.371 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(C)(F)F ZINC000449349335 310055954 /nfs/dbraw/zinc/05/59/54/310055954.db2.gz FKKHXWDGLUSZCO-LLVKDONJSA-N 1 0 329.347 3.337 10 5 EGBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000450419153 310121365 /nfs/dbraw/zinc/12/13/65/310121365.db2.gz NLAXKBAJSJZZKZ-CABCVRRESA-N 1 0 326.400 3.089 10 5 EGBERO Cc1nc(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450887088 310147886 /nfs/dbraw/zinc/14/78/86/310147886.db2.gz YDPUCFUCUWLBEE-UHFFFAOYSA-N 1 0 335.452 3.030 10 5 EGBERO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2c1 ZINC000451340543 310172805 /nfs/dbraw/zinc/17/28/05/310172805.db2.gz JORMSSRVXLMJLZ-NUEKZKHPSA-N 1 0 345.399 3.252 10 5 EGBERO Cc1cccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000452092140 310211592 /nfs/dbraw/zinc/21/15/92/310211592.db2.gz SKSFYQNEPOUROC-AWEZNQCLSA-N 1 0 327.384 3.217 10 5 EGBERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000453639805 310286248 /nfs/dbraw/zinc/28/62/48/310286248.db2.gz WWBSUAHFVLGSNN-SFHVURJKSA-N 1 0 328.412 3.213 10 5 EGBERO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000456187146 310392577 /nfs/dbraw/zinc/39/25/77/310392577.db2.gz LZBRVUAIECQQBB-STQMWFEESA-N 1 0 334.420 3.084 10 5 EGBERO COc1cccc2c1CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000489567299 311112376 /nfs/dbraw/zinc/11/23/76/311112376.db2.gz IRZKSTXKJXKKMA-UHFFFAOYSA-N 1 0 342.395 3.083 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751214 311287127 /nfs/dbraw/zinc/28/71/27/311287127.db2.gz RYRXPXRNJFQOMN-CVEARBPZSA-N 1 0 334.416 3.242 10 5 EGBERO C[N@@H+]1CCC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000516230664 312315775 /nfs/dbraw/zinc/31/57/75/312315775.db2.gz FKHMYPUSTBCBEE-CJNGLKHVSA-N 1 0 326.400 3.064 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC34CCOCC4)c2c1 ZINC000516890876 312348325 /nfs/dbraw/zinc/34/83/25/312348325.db2.gz UFGYZEGAJANWAW-QGZVFWFLSA-N 1 0 329.400 3.167 10 5 EGBERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000518383013 312414697 /nfs/dbraw/zinc/41/46/97/312414697.db2.gz FKDBAXNTHYFJFW-GXFFZTMASA-N 1 0 345.237 3.244 10 5 EGBERO C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519576415 312461146 /nfs/dbraw/zinc/46/11/46/312461146.db2.gz HUDJKVGAEULSGP-OAHLLOKOSA-N 1 0 345.443 3.033 10 5 EGBERO CC(C)(C)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000530461792 313540435 /nfs/dbraw/zinc/54/04/35/313540435.db2.gz MEFXQWJEAZIQKM-INIZCTEOSA-N 1 0 336.432 3.093 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000539609800 314323841 /nfs/dbraw/zinc/32/38/41/314323841.db2.gz MRGVPYUOHRZTFZ-UONOGXRCSA-N 1 0 328.368 3.394 10 5 EGBERO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2nccn21 ZINC000556455547 315436711 /nfs/dbraw/zinc/43/67/11/315436711.db2.gz WBBGDQWHAJDLBC-BDJLRTHQSA-N 1 0 325.372 3.111 10 5 EGBERO Cc1c(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)cccc1[N+](=O)[O-] ZINC000351071155 324163596 /nfs/dbraw/zinc/16/35/96/324163596.db2.gz DATKBKWNYGQBOI-UHFFFAOYSA-N 1 0 335.323 3.192 10 5 EGBERO Cc1cccn2c(C[NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)cnc12 ZINC000579033567 325053054 /nfs/dbraw/zinc/05/30/54/325053054.db2.gz JBYPUJGPJBWGRD-UHFFFAOYSA-N 1 0 349.394 3.365 10 5 EGBERO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCCO[C@H]21 ZINC000579998140 325187487 /nfs/dbraw/zinc/18/74/87/325187487.db2.gz OAPJKFRGMXBPEK-ZTFGCOKTSA-N 1 0 343.427 3.412 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000183120200 455233540 /nfs/dbraw/zinc/23/35/40/455233540.db2.gz OEQVKTPVGRBGIF-OBHPCNEJSA-N 1 0 345.443 3.092 10 5 EGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190450840 455321112 /nfs/dbraw/zinc/32/11/12/455321112.db2.gz GOKRNKYGFJWTMF-OAHLLOKOSA-N 1 0 344.390 3.087 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181550134 455353590 /nfs/dbraw/zinc/35/35/90/455353590.db2.gz JZKDKQDBWBNFDT-KRWDZBQOSA-N 1 0 339.395 3.225 10 5 EGBERO Cc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000041887962 453982925 /nfs/dbraw/zinc/98/29/25/453982925.db2.gz VDYZTOFXUYRHBL-UHFFFAOYSA-N 1 0 331.372 3.265 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000046551267 454262875 /nfs/dbraw/zinc/26/28/75/454262875.db2.gz SPMSRFWLEPXQGL-KXBFYZLASA-N 1 0 344.411 3.165 10 5 EGBERO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000060877298 454318713 /nfs/dbraw/zinc/31/87/13/454318713.db2.gz TXDOLDHBOQDFCC-INIZCTEOSA-N 1 0 345.443 3.385 10 5 EGBERO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000090564004 454323169 /nfs/dbraw/zinc/32/31/69/454323169.db2.gz OMVZUUDRRLNYGO-IRXDYDNUSA-N 1 0 348.447 3.220 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803205 454657363 /nfs/dbraw/zinc/65/73/63/454657363.db2.gz OZMHSMRKUCHEEV-RHSMWYFYSA-N 1 0 341.415 3.047 10 5 EGBERO COc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107697426 454768857 /nfs/dbraw/zinc/76/88/57/454768857.db2.gz PUSVTIHHOZYJRN-MRXNPFEDSA-N 1 0 333.432 3.054 10 5 EGBERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](CC)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176682801 454771731 /nfs/dbraw/zinc/77/17/31/454771731.db2.gz VWIKOSQJPLYJLG-IAGOWNOFSA-N 1 0 348.447 3.172 10 5 EGBERO COc1cc2c(cc1OC)CCN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000138695387 454796181 /nfs/dbraw/zinc/79/61/81/454796181.db2.gz FZHXNXJOSIMSMY-UHFFFAOYSA-N 1 0 348.424 3.274 10 5 EGBERO Cc1sc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150822688 454897976 /nfs/dbraw/zinc/89/79/76/454897976.db2.gz UFTPBNPFUXESPZ-ZDUSSCGKSA-N 1 0 337.445 3.055 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000150924767 454913596 /nfs/dbraw/zinc/91/35/96/454913596.db2.gz WPKKRASGQOGBDO-CQSZACIVSA-N 1 0 333.432 3.201 10 5 EGBERO Cc1cnn(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113338670 454924076 /nfs/dbraw/zinc/92/40/76/454924076.db2.gz JZITXMWKMANKEO-UHFFFAOYSA-N 1 0 343.412 3.013 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000155904297 455060869 /nfs/dbraw/zinc/06/08/69/455060869.db2.gz LUIRGTDIUWRUPH-CQSZACIVSA-N 1 0 341.415 3.013 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537249 455351321 /nfs/dbraw/zinc/35/13/21/455351321.db2.gz ADJNAPYVKPCQFW-PUJMQQBBSA-N 1 0 333.432 3.330 10 5 EGBERO C[NH+](C)C1(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCCC1 ZINC000600998451 460670004 /nfs/dbraw/zinc/67/00/04/460670004.db2.gz IYWFTJITVRHTIX-UHFFFAOYSA-N 1 0 345.443 3.007 10 5 EGBERO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000277736989 455650215 /nfs/dbraw/zinc/65/02/15/455650215.db2.gz IFOMHXROVIRBIB-ZDUSSCGKSA-N 1 0 331.401 3.247 10 5 EGBERO C[C@H]1COCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000277900522 455702250 /nfs/dbraw/zinc/70/22/50/455702250.db2.gz OYSZXBFHWDLIRW-XHDPSFHLSA-N 1 0 333.413 3.233 10 5 EGBERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248811045 455732216 /nfs/dbraw/zinc/73/22/16/455732216.db2.gz HSHFGVXPNYYUJP-ZBINZKHDSA-N 1 0 338.791 3.022 10 5 EGBERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000261624745 455916326 /nfs/dbraw/zinc/91/63/26/455916326.db2.gz DSSXCUWJMWJNKV-SFHVURJKSA-N 1 0 341.411 3.058 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000296582272 455979728 /nfs/dbraw/zinc/97/97/28/455979728.db2.gz UKHHRZXFSJCCQI-YPMHNXCESA-N 1 0 345.424 3.253 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280492708 455981675 /nfs/dbraw/zinc/98/16/75/455981675.db2.gz MKDFDNLNRBQFBC-RDTXWAMCSA-N 1 0 334.416 3.234 10 5 EGBERO CCN(CCC[NH+](CC)CC)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188061929 455989820 /nfs/dbraw/zinc/98/98/20/455989820.db2.gz JJCZWZFHMORSKC-UHFFFAOYSA-N 1 0 346.431 3.270 10 5 EGBERO Cc1cccnc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296650446 456000844 /nfs/dbraw/zinc/00/08/44/456000844.db2.gz YVUVFGAAPJLKPX-SFHVURJKSA-N 1 0 325.412 3.452 10 5 EGBERO CCN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188121126 456002612 /nfs/dbraw/zinc/00/26/12/456002612.db2.gz RKBOCUBJHWZHBT-UHFFFAOYSA-N 1 0 344.415 3.024 10 5 EGBERO O=[N+]([O-])c1cc(F)cnc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000601103550 460711244 /nfs/dbraw/zinc/71/12/44/460711244.db2.gz DHBJMACICWVEIY-UHFFFAOYSA-N 1 0 330.363 3.337 10 5 EGBERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000236629646 456160904 /nfs/dbraw/zinc/16/09/04/456160904.db2.gz JQFZZIDQEAGFPQ-INIZCTEOSA-N 1 0 346.374 3.473 10 5 EGBERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263776759 456220222 /nfs/dbraw/zinc/22/02/22/456220222.db2.gz DVCKZDLVCASVJX-GFCCVEGCSA-N 1 0 343.412 3.093 10 5 EGBERO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302155691 456302149 /nfs/dbraw/zinc/30/21/49/456302149.db2.gz NHPWUOYQNFWESC-UHFFFAOYSA-N 1 0 327.331 3.260 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340275075 456354180 /nfs/dbraw/zinc/35/41/80/456354180.db2.gz AWSLWNHYMNYWOW-IEBWSBKVSA-N 1 0 341.411 3.138 10 5 EGBERO CC(C)(C)[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000340566570 456534605 /nfs/dbraw/zinc/53/46/05/456534605.db2.gz DBCHSNUUZVOONM-IUODEOHRSA-N 1 0 328.359 3.102 10 5 EGBERO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000348225036 456547734 /nfs/dbraw/zinc/54/77/34/456547734.db2.gz LRHPCDHJBARGBO-WBVHZDCISA-N 1 0 340.427 3.479 10 5 EGBERO Cc1cc(N[C@H](C)CC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301230410 456828157 /nfs/dbraw/zinc/82/81/57/456828157.db2.gz JALAFUBJGYQHAZ-GFCCVEGCSA-N 1 0 329.404 3.112 10 5 EGBERO CO[C@H](C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353789634 456907059 /nfs/dbraw/zinc/90/70/59/456907059.db2.gz CYHCVMLNNVQLRE-LLVKDONJSA-N 1 0 332.347 3.442 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000345162710 456948767 /nfs/dbraw/zinc/94/87/67/456948767.db2.gz JTLCCZMMQBJDCA-UHFFFAOYSA-N 1 0 331.338 3.020 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000349964224 457123931 /nfs/dbraw/zinc/12/39/31/457123931.db2.gz DVZARPBELVVFTJ-GOSISDBHSA-N 1 0 339.395 3.141 10 5 EGBERO Cc1cnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000354431698 457217542 /nfs/dbraw/zinc/21/75/42/457217542.db2.gz SBHLIEKHXRJTIM-INIZCTEOSA-N 1 0 326.400 3.009 10 5 EGBERO CNC(=O)C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000360770419 457344697 /nfs/dbraw/zinc/34/46/97/457344697.db2.gz DMUDMFISENSVJX-ZBZNSMLMSA-N 1 0 339.395 3.075 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364800335 457696242 /nfs/dbraw/zinc/69/62/42/457696242.db2.gz PCQSXKQCCIZRLV-CQSZACIVSA-N 1 0 344.390 3.402 10 5 EGBERO Cc1sc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000357879162 457721484 /nfs/dbraw/zinc/72/14/84/457721484.db2.gz JZNSKFICRFKJCE-BDJLRTHQSA-N 1 0 339.461 3.205 10 5 EGBERO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357930872 457732874 /nfs/dbraw/zinc/73/28/74/457732874.db2.gz FZSDWDQLRQQKDM-KGLIPLIRSA-N 1 0 336.436 3.075 10 5 EGBERO Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444702453 457947823 /nfs/dbraw/zinc/94/78/23/457947823.db2.gz INWWONKWTYGYAO-QGZVFWFLSA-N 1 0 344.411 3.083 10 5 EGBERO COCC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000376374275 458281621 /nfs/dbraw/zinc/28/16/21/458281621.db2.gz CTRLUKDIHONJLE-ZDUSSCGKSA-N 1 0 340.395 3.381 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000436309606 458286861 /nfs/dbraw/zinc/28/68/61/458286861.db2.gz OTLMNBYWDZDDQE-JKIFEVAISA-N 1 0 332.400 3.294 10 5 EGBERO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478047036 459074904 /nfs/dbraw/zinc/07/49/04/459074904.db2.gz LACHIXZXYDDPFT-MRXNPFEDSA-N 1 0 334.395 3.130 10 5 EGBERO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521113 459078544 /nfs/dbraw/zinc/07/85/44/459078544.db2.gz LWNQCRNKVJJGOX-RRFJBIMHSA-N 1 0 338.452 3.316 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069073 459236525 /nfs/dbraw/zinc/23/65/25/459236525.db2.gz NSFAMRQGYRJFLL-JGGQBBKZSA-N 1 0 340.370 3.320 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000595074176 459237068 /nfs/dbraw/zinc/23/70/68/459237068.db2.gz UTIAHRCJRUGPKV-XJKSGUPXSA-N 1 0 339.395 3.142 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC000595074860 459238206 /nfs/dbraw/zinc/23/82/06/459238206.db2.gz WKXGMGSVEWKNCK-DYVFJYSZSA-N 1 0 339.395 3.142 10 5 EGBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595706780 459407572 /nfs/dbraw/zinc/40/75/72/459407572.db2.gz LCJKKMQJBBBRNX-ZJNRKIDTSA-N 1 0 339.395 3.240 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC(F)CC1 ZINC000595818053 459450691 /nfs/dbraw/zinc/45/06/91/459450691.db2.gz CSYXSNBMNDGIMX-WNZJFKNXSA-N 1 0 349.406 3.207 10 5 EGBERO Cc1nc(C)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000561754768 459479585 /nfs/dbraw/zinc/47/95/85/459479585.db2.gz XVIDOVVHLIFXTR-UHFFFAOYSA-N 1 0 330.413 3.482 10 5 EGBERO O=C(C[NH2+]C1(c2cccc(F)c2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592145191 459535301 /nfs/dbraw/zinc/53/53/01/459535301.db2.gz QXRFWCBTSWBGHZ-UHFFFAOYSA-N 1 0 343.358 3.341 10 5 EGBERO COc1cc(N2CCC[C@H]([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596208224 459560301 /nfs/dbraw/zinc/56/03/01/459560301.db2.gz IQLANLODHGWIRT-NSHDSACASA-N 1 0 327.812 3.177 10 5 EGBERO O=c1[nH]ccc(NCC[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596221945 459565441 /nfs/dbraw/zinc/56/54/41/459565441.db2.gz HNYUSIVSRFKBGY-UHFFFAOYSA-N 1 0 334.420 3.154 10 5 EGBERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592339853 459576933 /nfs/dbraw/zinc/57/69/33/459576933.db2.gz IJXZYIFZZBJDAZ-MNOVXSKESA-N 1 0 337.445 3.095 10 5 EGBERO COc1cc(C[NH2+]CC2CCC(F)CC2)c([N+](=O)[O-])cc1OC ZINC000592377159 459584878 /nfs/dbraw/zinc/58/48/78/459584878.db2.gz LBUWKGMTJJYRKL-UHFFFAOYSA-N 1 0 326.368 3.230 10 5 EGBERO CC(C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000592397526 459592272 /nfs/dbraw/zinc/59/22/72/459592272.db2.gz MZLPWXMAAHZPIT-APWZRJJASA-N 1 0 348.443 3.084 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592397554 459592579 /nfs/dbraw/zinc/59/25/79/459592579.db2.gz NTBWGGMSEDUMRZ-DUVNUKRYSA-N 1 0 349.431 3.248 10 5 EGBERO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596451816 459641875 /nfs/dbraw/zinc/64/18/75/459641875.db2.gz CFGDWQYCGHQQPL-GOEBONIOSA-N 1 0 348.447 3.090 10 5 EGBERO Cc1c(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596599148 459692627 /nfs/dbraw/zinc/69/26/27/459692627.db2.gz QJQWOIAADIKIEA-UHFFFAOYSA-N 1 0 328.416 3.221 10 5 EGBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2Cc2ccccc2F)c1 ZINC000593084246 459767491 /nfs/dbraw/zinc/76/74/91/459767491.db2.gz QDRFJFROYYEMOP-HNNXBMFYSA-N 1 0 332.379 3.028 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000574167822 459788128 /nfs/dbraw/zinc/78/81/28/459788128.db2.gz LWHQXVAGXVVMRQ-HNNXBMFYSA-N 1 0 333.432 3.211 10 5 EGBERO CC(C)(C)[N@@H+]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457404 459894139 /nfs/dbraw/zinc/89/41/39/459894139.db2.gz MLQNQVAWJMEZCJ-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO C[C@H]1C[NH+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000593459099 459895742 /nfs/dbraw/zinc/89/57/42/459895742.db2.gz XGPFFCGANKURQT-KBPBESRZSA-N 1 0 344.415 3.054 10 5 EGBERO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593716946 459960343 /nfs/dbraw/zinc/96/03/43/459960343.db2.gz VQBCVIUFXHBUCC-LIRRHRJNSA-N 1 0 326.396 3.122 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000593715151 459961349 /nfs/dbraw/zinc/96/13/49/459961349.db2.gz HVAXVOCYMHQASV-MGPUTAFESA-N 1 0 340.423 3.430 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3[nH]nc4ccccc43)c2c1 ZINC000588933631 460006853 /nfs/dbraw/zinc/00/68/53/460006853.db2.gz MADKIYFCGWFLSA-UHFFFAOYSA-N 1 0 335.367 3.285 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C3CCC3)CC1)CCCC2 ZINC000575918908 460032723 /nfs/dbraw/zinc/03/27/23/460032723.db2.gz NVBZDRANWNNUCG-UHFFFAOYSA-N 1 0 330.432 3.297 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610064382 460057806 /nfs/dbraw/zinc/05/78/06/460057806.db2.gz GFANKFXHNVYWJB-GJZGRUSLSA-N 1 0 347.459 3.252 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)cn2)n1 ZINC000618572169 460067758 /nfs/dbraw/zinc/06/77/58/460067758.db2.gz LTTHSRJYPWHRAV-UONOGXRCSA-N 1 0 335.795 3.113 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCc2ccc(F)cc2)c1 ZINC000589497464 460095223 /nfs/dbraw/zinc/09/52/23/460095223.db2.gz XLLBEVJGPAQFHD-UHFFFAOYSA-N 1 0 346.358 3.195 10 5 EGBERO Cn1ncc(C(F)(F)F)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598989688 460118830 /nfs/dbraw/zinc/11/88/30/460118830.db2.gz QTDHUMPIAUNKMN-XQRVVYSFSA-N 1 0 340.305 3.150 10 5 EGBERO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597945527 460122143 /nfs/dbraw/zinc/12/21/43/460122143.db2.gz HPAIYCHAJNYTAO-AWEZNQCLSA-N 1 0 333.432 3.059 10 5 EGBERO CC(C)(C)[N@@H+]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599034576 460133411 /nfs/dbraw/zinc/13/34/11/460133411.db2.gz HTHSIIYWDVQIOK-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO COCCC[NH+]1CCC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599039300 460134808 /nfs/dbraw/zinc/13/48/08/460134808.db2.gz WVNQFSCSNFNMQH-UHFFFAOYSA-N 1 0 344.415 3.056 10 5 EGBERO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000610368576 460136672 /nfs/dbraw/zinc/13/66/72/460136672.db2.gz RAOUBDRGMNGJAR-CYBMUJFWSA-N 1 0 341.415 3.073 10 5 EGBERO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599054750 460142799 /nfs/dbraw/zinc/14/27/99/460142799.db2.gz NGADJBBNBLMYIE-HNNXBMFYSA-N 1 0 340.427 3.311 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073663 460151970 /nfs/dbraw/zinc/15/19/70/460151970.db2.gz GQKYFKKERHTZFJ-ROUUACIJSA-N 1 0 339.395 3.462 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1[N+](=O)[O-] ZINC000599075062 460152925 /nfs/dbraw/zinc/15/29/25/460152925.db2.gz RVMUCNZWSGYBGO-FZKQIMNGSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC12CC2 ZINC000599093065 460159266 /nfs/dbraw/zinc/15/92/66/460159266.db2.gz UQHFHKMBVUPXCG-ZIAGYGMSSA-N 1 0 331.416 3.482 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987921 460211390 /nfs/dbraw/zinc/21/13/90/460211390.db2.gz VZRLMPAENNHKFR-COPLHBTASA-N 1 0 332.322 3.067 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000619531711 460377016 /nfs/dbraw/zinc/37/70/16/460377016.db2.gz KMRASZHDIRWPBJ-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO COc1cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000611516609 460385075 /nfs/dbraw/zinc/38/50/75/460385075.db2.gz JWVCOZSGHNAGIF-UHFFFAOYSA-N 1 0 343.383 3.110 10 5 EGBERO CC[NH+](CC)CC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700497 460431784 /nfs/dbraw/zinc/43/17/84/460431784.db2.gz HJCFXSHSYWCMGY-UHFFFAOYSA-N 1 0 343.431 3.096 10 5 EGBERO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000600229104 460449875 /nfs/dbraw/zinc/44/98/75/460449875.db2.gz PHJJPVZISUMLST-MRXNPFEDSA-N 1 0 331.416 3.040 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000600229898 460450791 /nfs/dbraw/zinc/45/07/91/460450791.db2.gz WXLJCHJHXOASLI-HNNXBMFYSA-N 1 0 331.416 3.040 10 5 EGBERO CCOc1cc(N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601215728 460753663 /nfs/dbraw/zinc/75/36/63/460753663.db2.gz DMIYGICFEULNII-UHFFFAOYSA-N 1 0 333.432 3.448 10 5 EGBERO CC(=O)c1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC000601225117 460756133 /nfs/dbraw/zinc/75/61/33/460756133.db2.gz CXKPSGBHWZAZRJ-UHFFFAOYSA-N 1 0 343.387 3.004 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972718 460967570 /nfs/dbraw/zinc/96/75/70/460967570.db2.gz NLCULUPWMDFSCU-SAAWKEMMSA-N 1 0 326.343 3.354 10 5 EGBERO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030913 1296679097 /nfs/dbraw/zinc/67/90/97/1296679097.db2.gz KQIXVTPHWGKJNX-JTQLQIEISA-N 1 0 349.328 3.411 10 5 EGBERO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074254 1296719675 /nfs/dbraw/zinc/71/96/75/1296719675.db2.gz ZRIAJPHFWKWGID-RYUDHWBXSA-N 1 0 328.434 3.019 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H](O)C(F)F ZINC000872075900 1296721068 /nfs/dbraw/zinc/72/10/68/1296721068.db2.gz VMPBESURXVSDBP-QWRKXWFKSA-N 1 0 334.388 3.372 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084781 1296723721 /nfs/dbraw/zinc/72/37/21/1296723721.db2.gz KRGRMLQVHIHEMQ-NLMLSSAPSA-N 1 0 328.409 3.074 10 5 EGBERO O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000872118348 1296743949 /nfs/dbraw/zinc/74/39/49/1296743949.db2.gz YDWRGSQJNQRSGV-YQQAZPJKSA-N 1 0 346.427 3.239 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCCC2)cc1 ZINC000872235842 1296835620 /nfs/dbraw/zinc/83/56/20/1296835620.db2.gz KXHHCNNMCFJARO-RBUKOAKNSA-N 1 0 347.459 3.015 10 5 EGBERO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000311239690 1297105984 /nfs/dbraw/zinc/10/59/84/1297105984.db2.gz YKPBFLUDHNPTGW-BPQIPLTHSA-N 1 0 338.411 3.312 10 5 EGBERO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000886600827 1303518351 /nfs/dbraw/zinc/51/83/51/1303518351.db2.gz CBDRDXITYSPHGY-ZYHUDNBSSA-N 1 0 346.305 3.045 10 5 EGBERO C[NH+]1CCC2(CCCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)CC1 ZINC000858528059 1328788518 /nfs/dbraw/zinc/78/85/18/1328788518.db2.gz OAWSTSNXGPSBMQ-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccns1 ZINC000858579378 1328798471 /nfs/dbraw/zinc/79/84/71/1328798471.db2.gz UNYQVDGTFBVCMO-QWRGUYRKSA-N 1 0 334.401 3.119 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000915212139 1319444645 /nfs/dbraw/zinc/44/46/45/1319444645.db2.gz ZMONKMDURZFOOK-RCQQVGEISA-N 1 0 347.415 3.067 10 5 EGBERO CC(=O)NCCCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636108 1328921890 /nfs/dbraw/zinc/92/18/90/1328921890.db2.gz CZKQXGYJAYGQPP-QGZVFWFLSA-N 1 0 333.432 3.081 10 5 EGBERO COc1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922676877 1322586607 /nfs/dbraw/zinc/58/66/07/1322586607.db2.gz CBHONKYWPNVODD-SMDDNHRTSA-N 1 0 348.321 3.193 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000924382845 1323003048 /nfs/dbraw/zinc/00/30/48/1323003048.db2.gz DJNSPKQAFLVRPH-UHFFFAOYSA-N 1 0 349.406 3.133 10 5 EGBERO COc1ccc(C[NH2+][C@@H](C)c2ccnn2CC2CCC2)cc1[N+](=O)[O-] ZINC000924843117 1323184566 /nfs/dbraw/zinc/18/45/66/1323184566.db2.gz YIWMXKQPGGSDFB-ZDUSSCGKSA-N 1 0 344.415 3.451 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925249101 1325096515 /nfs/dbraw/zinc/09/65/15/1325096515.db2.gz UQUXJHMYYCLCOK-CQSZACIVSA-N 1 0 348.447 3.172 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@H]3CCCOC3)c2c1 ZINC000926440726 1325555338 /nfs/dbraw/zinc/55/53/38/1325555338.db2.gz RDWYIXJDMPMARL-HNAYVOBHSA-N 1 0 343.427 3.413 10 5 EGBERO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926440961 1325555790 /nfs/dbraw/zinc/55/57/90/1325555790.db2.gz VKGQIIPXSWNUHC-AEFFLSMTSA-N 1 0 331.416 3.269 10 5 EGBERO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1=CC[N@H+](C)CC1 ZINC000860700987 1329345750 /nfs/dbraw/zinc/34/57/50/1329345750.db2.gz WONYSTQIVCNMJF-ZDUSSCGKSA-N 1 0 339.395 3.128 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000926962653 1327800060 /nfs/dbraw/zinc/80/00/60/1327800060.db2.gz KZCLPKZEAXNFJY-BXUZGUMPSA-N 1 0 333.354 3.436 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927030354 1327825274 /nfs/dbraw/zinc/82/52/74/1327825274.db2.gz HYZDDEJMHQPBEH-BZPMIXESSA-N 1 0 337.445 3.186 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927029307 1327825529 /nfs/dbraw/zinc/82/55/29/1327825529.db2.gz CQEMTKSMYULGQV-MBNYWOFBSA-N 1 0 337.445 3.186 10 5 EGBERO CCOc1ccc(C(=O)OCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC000861355116 1329412179 /nfs/dbraw/zinc/41/21/79/1329412179.db2.gz JDOGVLFTVCBFQN-UHFFFAOYSA-N 1 0 348.399 3.026 10 5 EGBERO C/C=C/C[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340562 1329548563 /nfs/dbraw/zinc/54/85/63/1329548563.db2.gz LMRNVCVYBYTREF-RDFMZFSFSA-N 1 0 329.404 3.284 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)o2)cc1 ZINC000865691804 1329729786 /nfs/dbraw/zinc/72/97/86/1329729786.db2.gz GMJVEXSHHZVIHL-LMCVGUAFSA-N 1 0 340.379 3.368 10 5 EGBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865750776 1329734771 /nfs/dbraw/zinc/73/47/71/1329734771.db2.gz WLDUVBQITYVDDV-LLVKDONJSA-N 1 0 331.363 3.037 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391059 1329885358 /nfs/dbraw/zinc/88/53/58/1329885358.db2.gz DVZOKMWQUPQUBU-KBXCAEBGSA-N 1 0 332.400 3.183 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000866534310 1330123339 /nfs/dbraw/zinc/12/33/39/1330123339.db2.gz RBAWDYQNDNPYTO-HOCLYGCPSA-N 1 0 334.416 3.140 10 5 EGBERO Cc1cscc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323422679 1387368077 /nfs/dbraw/zinc/36/80/77/1387368077.db2.gz MMPPWCWVFBKKTF-UHFFFAOYSA-N 1 0 345.424 3.017 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001203699613 1370224382 /nfs/dbraw/zinc/22/43/82/1370224382.db2.gz XRADOBCAUHKEKU-SZJVNEJHSA-N 1 0 344.386 3.330 10 5 EGBERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001116919844 1371001267 /nfs/dbraw/zinc/00/12/67/1371001267.db2.gz IDOOPRGYMNTHKV-KBPBESRZSA-N 1 0 343.221 3.405 10 5 EGBERO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC001187662433 1388138869 /nfs/dbraw/zinc/13/88/69/1388138869.db2.gz BPXXPSHANZJCPV-FZMZJTMJSA-N 1 0 330.363 3.300 10 5 EGBERO Cc1cocc1C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001326864233 1388333810 /nfs/dbraw/zinc/33/38/10/1388333810.db2.gz KNDQHNXSOCRZKJ-UHFFFAOYSA-N 1 0 349.412 3.000 10 5 EGBERO CC/C(C)=C/C(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001270226191 1377600758 /nfs/dbraw/zinc/60/07/58/1377600758.db2.gz VLPXKFHAKUYMRN-NTCAYCPXSA-N 1 0 345.443 3.422 10 5 EGBERO C/C=C(/C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001272720271 1378080940 /nfs/dbraw/zinc/08/09/40/1378080940.db2.gz DBPPGUXEQWGUIO-BASRZMJWSA-N 1 0 345.443 3.326 10 5 EGBERO Nc1ccc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc1[N+](=O)[O-] ZINC001160696844 1382173658 /nfs/dbraw/zinc/17/36/58/1382173658.db2.gz QLRUPNLLTRCQRV-UHFFFAOYSA-N 1 0 339.355 3.034 10 5 EGBERO Cc1ccc(NCCc2ccc(OCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC001162470509 1382767342 /nfs/dbraw/zinc/76/73/42/1382767342.db2.gz AKMBBMZFPOQWRW-UHFFFAOYSA-N 1 0 343.427 3.498 10 5 EGBERO Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001162905339 1382910761 /nfs/dbraw/zinc/91/07/61/1382910761.db2.gz SJHMSVFBWOZIQB-ZIAGYGMSSA-N 1 0 339.823 3.015 10 5 EGBERO CCC1(CC)[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001167765548 1383736046 /nfs/dbraw/zinc/73/60/46/1383736046.db2.gz FRWMVKGSQAOAEB-SJORKVTESA-N 1 0 336.432 3.499 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC001307164015 1383948228 /nfs/dbraw/zinc/94/82/28/1383948228.db2.gz KHGCKSULRLZNAK-ZDUSSCGKSA-N 1 0 349.431 3.365 10 5 EGBERO C[NH+](C)[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C12CCC2 ZINC001307165914 1383949101 /nfs/dbraw/zinc/94/91/01/1383949101.db2.gz VJIKTHAPHZBLFI-JKSUJKDBSA-N 1 0 326.400 3.428 10 5 EGBERO CC(C)(C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848332 1384041279 /nfs/dbraw/zinc/04/12/79/1384041279.db2.gz XRPBNDKGYQHVNJ-PBHICJAKSA-N 1 0 345.443 3.458 10 5 EGBERO COc1ccc(OCC[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC001308121584 1384096541 /nfs/dbraw/zinc/09/65/41/1384096541.db2.gz OFUJPAORNHMQFE-RDJZCZTQSA-N 1 0 346.427 3.493 10 5 EGBERO C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC001170072488 1384229336 /nfs/dbraw/zinc/22/93/36/1384229336.db2.gz BEKVMNJSGQIJTR-SFHVURJKSA-N 1 0 343.402 3.093 10 5 EGBERO C/C=C/C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001175054188 1385186999 /nfs/dbraw/zinc/18/69/99/1385186999.db2.gz RKPLNUMDQXSQIZ-XYBNCVKDSA-N 1 0 343.427 3.162 10 5 EGBERO COc1ccc(C[N@H+](C)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001176184067 1385504830 /nfs/dbraw/zinc/50/48/30/1385504830.db2.gz GLVRGPDUMPHTSD-UHFFFAOYSA-N 1 0 344.367 3.007 10 5 EGBERO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001176515450 1385612364 /nfs/dbraw/zinc/61/23/64/1385612364.db2.gz IRUAZBOBNSXBPC-HNNXBMFYSA-N 1 0 335.404 3.036 10 5 EGBERO O=C(C=C1CCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001319343181 1386070250 /nfs/dbraw/zinc/07/02/50/1386070250.db2.gz YKCVUVQOWPROIT-UHFFFAOYSA-N 1 0 343.427 3.224 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)o2)cc1 ZINC001319823887 1386318787 /nfs/dbraw/zinc/31/87/87/1386318787.db2.gz VERMIZNNHXTRSB-RTHVDDQRSA-N 1 0 342.395 3.448 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001320769188 1386713644 /nfs/dbraw/zinc/71/36/44/1386713644.db2.gz CXQNIYIGFMTYOA-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001322466182 1387191815 /nfs/dbraw/zinc/19/18/15/1387191815.db2.gz ONWVASLJCJQZMO-SUMWQHHRSA-N 1 0 346.456 3.277 10 5 EGBERO Cc1scc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001480868402 1392989785 /nfs/dbraw/zinc/98/97/85/1392989785.db2.gz PQBISYCOAZXDSL-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C ZINC001485264394 1395749367 /nfs/dbraw/zinc/74/93/67/1395749367.db2.gz WSOZGJZXIHQKNA-UHFFFAOYSA-N 1 0 341.477 3.277 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689917034 1404206866 /nfs/dbraw/zinc/20/68/66/1404206866.db2.gz GCOWQSSHRGQOOQ-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001690351714 1404487569 /nfs/dbraw/zinc/48/75/69/1404487569.db2.gz CUXCTFWQWMRVKQ-IYBDPMFKSA-N 1 0 331.416 3.078 10 5 EGBERO CCC(C)(CC)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691478349 1405294036 /nfs/dbraw/zinc/29/40/36/1405294036.db2.gz ATTMQFLDXLYMEN-IYBDPMFKSA-N 1 0 347.459 3.406 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccsc1 ZINC001700128789 1413544096 /nfs/dbraw/zinc/54/40/96/1413544096.db2.gz CPSPNFVXPIJAIK-UHFFFAOYSA-N 1 0 345.424 3.099 10 5 EGBERO CC/C(C)=C/C(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001700275947 1413720778 /nfs/dbraw/zinc/72/07/78/1413720778.db2.gz LHVGAUYGXTZARI-FYWRMAATSA-N 1 0 345.443 3.422 10 5 EGBERO CCC1(C(=O)N(C)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001713056126 1417609267 /nfs/dbraw/zinc/60/92/67/1417609267.db2.gz POJGXZYJWNSZDJ-UHFFFAOYSA-N 1 0 345.443 3.208 10 5 EGBERO CCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001714001981 1418782086 /nfs/dbraw/zinc/78/20/86/1418782086.db2.gz LAHDHROCZADSAM-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccoc1 ZINC001714127802 1418931698 /nfs/dbraw/zinc/93/16/98/1418931698.db2.gz BLUJQKNQSHISPA-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO C/C=C(/C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001714296318 1419075634 /nfs/dbraw/zinc/07/56/34/1419075634.db2.gz AORAMCUOMPXYRL-WJCZRZBZSA-N 1 0 331.416 3.078 10 5 EGBERO CCC(C)(C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001724794522 1425161121 /nfs/dbraw/zinc/16/11/21/1425161121.db2.gz WKLGEODMNFHXCY-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CCC(=CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1)CC ZINC001725354552 1426005477 /nfs/dbraw/zinc/00/54/77/1426005477.db2.gz PQQYCOAXXGXTHM-QAQDUYKDSA-N 1 0 345.443 3.326 10 5 EGBERO C[N@H+](CCCNC(=O)C1CC2(CCC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001731260154 1427209198 /nfs/dbraw/zinc/20/91/98/1427209198.db2.gz FCZUHUWZDDRCHV-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC=CC1 ZINC001734015784 1437806412 /nfs/dbraw/zinc/80/64/12/1437806412.db2.gz SAXRSTZHEFZCGQ-UHFFFAOYSA-N 1 0 345.443 3.135 10 5 EGBERO Cc1cccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000052314646 214126187 /nfs/dbraw/zinc/12/61/87/214126187.db2.gz ANSMVXOCUZHHIF-UHFFFAOYSA-N 1 0 326.400 3.375 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000183317799 235005648 /nfs/dbraw/zinc/00/56/48/235005648.db2.gz XDUMRYCWOJMTMT-OAHLLOKOSA-N 1 0 326.400 3.232 10 5 EGBERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376652731 168933775 /nfs/dbraw/zinc/93/37/75/168933775.db2.gz RHEUYEUVICYZED-HNNXBMFYSA-N 1 0 328.416 3.307 10 5 EGBERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)no1 ZINC000092813905 218172108 /nfs/dbraw/zinc/17/21/08/218172108.db2.gz CNQLWZUASKMHDB-AWEZNQCLSA-N 1 0 330.388 3.049 10 5 EGBERO C[C@@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092969963 218184159 /nfs/dbraw/zinc/18/41/59/218184159.db2.gz BMZOFIXAXSTIMM-CYBMUJFWSA-N 1 0 330.384 3.448 10 5 EGBERO CC[C@H](NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268279 141188731 /nfs/dbraw/zinc/18/87/31/141188731.db2.gz FBRAEPMJUCTCPU-CPUCHLNUSA-N 1 0 348.447 3.170 10 5 EGBERO CC[C@H](NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268280 141188979 /nfs/dbraw/zinc/18/89/79/141188979.db2.gz FBRAEPMJUCTCPU-KEYYUXOJSA-N 1 0 348.447 3.170 10 5 EGBERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178656429 144074054 /nfs/dbraw/zinc/07/40/54/144074054.db2.gz PPFXARYTNVKMTL-RDTXWAMCSA-N 1 0 339.395 3.441 10 5 EGBERO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000116293186 152056048 /nfs/dbraw/zinc/05/60/48/152056048.db2.gz WOPODPANTNVEBB-HNNXBMFYSA-N 1 0 329.356 3.354 10 5 EGBERO COc1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000305820067 154131868 /nfs/dbraw/zinc/13/18/68/154131868.db2.gz KZZMGRBFGFKIOS-MRXNPFEDSA-N 1 0 330.384 3.159 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341051164 155129730 /nfs/dbraw/zinc/12/97/30/155129730.db2.gz ZPYRCAIDTNLJMA-BETUJISGSA-N 1 0 345.399 3.334 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000359079853 167060956 /nfs/dbraw/zinc/06/09/56/167060956.db2.gz CESCAMNWTMZAAL-MRXNPFEDSA-N 1 0 326.400 3.293 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000359823594 167241723 /nfs/dbraw/zinc/24/17/23/167241723.db2.gz UTEQZRFUYSVTLT-KRWDZBQOSA-N 1 0 345.374 3.075 10 5 EGBERO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000366597000 287210554 /nfs/dbraw/zinc/21/05/54/287210554.db2.gz UAFUMCIIGOTQMO-QGPMSJSTSA-N 1 0 334.416 3.234 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000366643516 168127231 /nfs/dbraw/zinc/12/72/31/168127231.db2.gz QFVVYQKGDIVZSJ-WBVHZDCISA-N 1 0 333.432 3.051 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124039567 222368780 /nfs/dbraw/zinc/36/87/80/222368780.db2.gz WWWZFZROVNPJKI-GDBMZVCRSA-N 1 0 335.448 3.297 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177534787 265259516 /nfs/dbraw/zinc/25/95/16/265259516.db2.gz XRSGRPATFAYQGX-BFHYXJOUSA-N 1 0 347.415 3.052 10 5 EGBERO CO[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000190912237 265870011 /nfs/dbraw/zinc/87/00/11/265870011.db2.gz GNYXVQNKDPZDCL-SWLSCSKDSA-N 1 0 333.413 3.375 10 5 EGBERO COc1ccc(C(=O)C[NH2+][C@H](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077311795 274106389 /nfs/dbraw/zinc/10/63/89/274106389.db2.gz QWHMIFZWUFDLEV-CQSZACIVSA-N 1 0 342.395 3.397 10 5 in-vitro EGBERO COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000185686441 275216026 /nfs/dbraw/zinc/21/60/26/275216026.db2.gz BKTBBJDWDNTAEA-AUUYWEPGSA-N 1 0 343.427 3.384 10 5 EGBERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000189916087 276303530 /nfs/dbraw/zinc/30/35/30/276303530.db2.gz GSJFTBIOMYIRCJ-NSHDSACASA-N 1 0 349.412 3.121 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000289723539 276383640 /nfs/dbraw/zinc/38/36/40/276383640.db2.gz IJYQFVUXLLVAIY-GUYCJALGSA-N 1 0 348.447 3.351 10 5 EGBERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000077419267 307412569 /nfs/dbraw/zinc/41/25/69/307412569.db2.gz XPEBWDIAQUOQFS-CABCVRRESA-N 1 0 343.427 3.469 10 5 EGBERO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000292881229 308076056 /nfs/dbraw/zinc/07/60/56/308076056.db2.gz DYRIDBFTEIVXNJ-UHFFFAOYSA-N 1 0 325.290 3.341 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294870233 308266215 /nfs/dbraw/zinc/26/62/15/308266215.db2.gz CBGKNCBGBIBTDX-SNVBAGLBSA-N 1 0 347.337 3.074 10 5 EGBERO CC(C)c1ccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000414562808 309089518 /nfs/dbraw/zinc/08/95/18/309089518.db2.gz VOQKFQRINQGMBC-HNNXBMFYSA-N 1 0 333.432 3.207 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)o1 ZINC000414568714 309090023 /nfs/dbraw/zinc/09/00/23/309090023.db2.gz HYFMDHVOXUQQGO-KBPBESRZSA-N 1 0 330.384 3.496 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](CO)C3)o2)cc1 ZINC000414591580 309090977 /nfs/dbraw/zinc/09/09/77/309090977.db2.gz YVMLCCGMTHWXKM-ZFWWWQNUSA-N 1 0 330.384 3.496 10 5 EGBERO C[C@H](CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[S@@](C)=O ZINC000352849319 308885845 /nfs/dbraw/zinc/88/58/45/308885845.db2.gz OMISPJPDBLHKLS-CLNHLTTHSA-N 1 0 346.452 3.431 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415699420 309141408 /nfs/dbraw/zinc/14/14/08/309141408.db2.gz IQBHIAMJMJSOAX-KRWDZBQOSA-N 1 0 334.420 3.095 10 5 EGBERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000417147653 309194968 /nfs/dbraw/zinc/19/49/68/309194968.db2.gz ZSHQWFMEKRXCJZ-CHWSQXEVSA-N 1 0 342.399 3.175 10 5 EGBERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420254359 309278095 /nfs/dbraw/zinc/27/80/95/309278095.db2.gz DBMBGUZOHBBAMP-JQWIXIFHSA-N 1 0 329.322 3.110 10 5 EGBERO Cc1c(NC(=O)CC[NH2+][C@H]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000433007044 309675226 /nfs/dbraw/zinc/67/52/26/309675226.db2.gz TWYCMTMHCRQMCO-XUJLQICISA-N 1 0 331.416 3.400 10 5 EGBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429886 310061342 /nfs/dbraw/zinc/06/13/42/310061342.db2.gz VIEPXGVAWRRBMV-CZUORRHYSA-N 1 0 347.440 3.311 10 5 EGBERO COc1ccc(C[NH2+]C[C@](C)(OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000449482121 310065847 /nfs/dbraw/zinc/06/58/47/310065847.db2.gz AMVWAZOAFSPOIT-SFHVURJKSA-N 1 0 330.384 3.255 10 5 EGBERO Cn1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449743266 310083746 /nfs/dbraw/zinc/08/37/46/310083746.db2.gz WEMSGGPGYAONRX-YOEHRIQHSA-N 1 0 326.400 3.131 10 5 EGBERO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450388459 310119733 /nfs/dbraw/zinc/11/97/33/310119733.db2.gz IDJZMBFNFMGATD-CYBMUJFWSA-N 1 0 327.388 3.022 10 5 EGBERO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451357325 310173951 /nfs/dbraw/zinc/17/39/51/310173951.db2.gz YPXVPFPWLRFQER-UXLLHSPISA-N 1 0 334.416 3.119 10 5 EGBERO CC[N@H+](CCNc1nc(C)cc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491676406 311187325 /nfs/dbraw/zinc/18/73/25/311187325.db2.gz QCTMNNNIMWWYOF-UHFFFAOYSA-N 1 0 334.342 3.293 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000511353601 312158685 /nfs/dbraw/zinc/15/86/85/312158685.db2.gz NRTCJPIFGKWJPS-UHFFFAOYSA-N 1 0 333.432 3.288 10 5 EGBERO COCc1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000564123696 316115661 /nfs/dbraw/zinc/11/56/61/316115661.db2.gz KPWGDIXZESGWSS-UHFFFAOYSA-N 1 0 346.412 3.011 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000564210666 316124579 /nfs/dbraw/zinc/12/45/79/316124579.db2.gz HFLCQPBGFXLVRL-IBGZPJMESA-N 1 0 341.411 3.430 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(F)F ZINC000601299896 460781309 /nfs/dbraw/zinc/78/13/09/460781309.db2.gz VKOHPAWSKHFWMZ-CMPLNLGQSA-N 1 0 334.388 3.071 10 5 EGBERO CNc1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000351055090 324159780 /nfs/dbraw/zinc/15/97/80/324159780.db2.gz ZOOIMVOLQIIDCR-UHFFFAOYSA-N 1 0 336.311 3.001 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000388473667 324275734 /nfs/dbraw/zinc/27/57/34/324275734.db2.gz MPMQXEBIHIHUJH-JQWIXIFHSA-N 1 0 343.221 3.262 10 5 EGBERO COCc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000580857226 325302018 /nfs/dbraw/zinc/30/20/18/325302018.db2.gz ZMACEHIRQKYQHW-UHFFFAOYSA-N 1 0 329.356 3.148 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000183237167 455257421 /nfs/dbraw/zinc/25/74/21/455257421.db2.gz XQEBUGHVMHZYIH-UHFFFAOYSA-N 1 0 345.443 3.128 10 5 EGBERO CC(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000012760037 453399117 /nfs/dbraw/zinc/39/91/17/453399117.db2.gz HQTPBRFYQLTPOF-INIZCTEOSA-N 1 0 334.420 3.227 10 5 EGBERO COc1ccc(-c2ccc(CN[C@H]3CC[C@H](C)[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000600771713 460597246 /nfs/dbraw/zinc/59/72/46/460597246.db2.gz AJDMTTXJRWCVSY-STQMWFEESA-N 1 0 345.399 3.094 10 5 EGBERO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067442849 453931303 /nfs/dbraw/zinc/93/13/03/453931303.db2.gz FZMFUWUIZFRSPR-UHFFFAOYSA-N 1 0 337.383 3.017 10 5 EGBERO CNc1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000071792559 454218245 /nfs/dbraw/zinc/21/82/45/454218245.db2.gz SCAAHIBMVLFKLG-UHFFFAOYSA-N 1 0 337.383 3.112 10 5 EGBERO Cc1ccc(C)c([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000131457993 454256171 /nfs/dbraw/zinc/25/61/71/454256171.db2.gz WLNVKTCPZNSLQM-HNNXBMFYSA-N 1 0 329.400 3.066 10 5 EGBERO CCC(=O)N1CC[C@@H](Nc2cc(CC)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000095997138 454258129 /nfs/dbraw/zinc/25/81/29/454258129.db2.gz BFRBWHKIIGVUJB-CYBMUJFWSA-N 1 0 342.399 3.128 10 5 EGBERO C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000078689394 454300618 /nfs/dbraw/zinc/30/06/18/454300618.db2.gz ZFJPHCHBJMKRIF-HNNXBMFYSA-N 1 0 326.400 3.091 10 5 EGBERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511733 454313874 /nfs/dbraw/zinc/31/38/74/454313874.db2.gz NNMSMVMAFSYQGG-GFCCVEGCSA-N 1 0 335.791 3.103 10 5 EGBERO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000060877179 454318204 /nfs/dbraw/zinc/31/82/04/454318204.db2.gz RKBNDVARFYXFOC-INIZCTEOSA-N 1 0 345.443 3.385 10 5 EGBERO COc1ccc(OC)c([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000120613820 454325089 /nfs/dbraw/zinc/32/50/89/454325089.db2.gz UDAYJLZJUHGHJN-CYBMUJFWSA-N 1 0 346.383 3.342 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000096837095 454382517 /nfs/dbraw/zinc/38/25/17/454382517.db2.gz KFZNNOWFDPYXDU-YVEFUNNKSA-N 1 0 325.368 3.199 10 5 EGBERO CCc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000121307533 454419618 /nfs/dbraw/zinc/41/96/18/454419618.db2.gz OKRNDPBMJIQIMP-AWEZNQCLSA-N 1 0 341.411 3.471 10 5 EGBERO CCN(CC)C(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092592656 454592193 /nfs/dbraw/zinc/59/21/93/454592193.db2.gz IVRFOWNDTJRCIR-VQHVLOKHSA-N 1 0 345.443 3.188 10 5 EGBERO Cc1csc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137015862 454764816 /nfs/dbraw/zinc/76/48/16/454764816.db2.gz LPEDLKYNOYPKBS-MRXNPFEDSA-N 1 0 347.440 3.273 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000163172129 454827602 /nfs/dbraw/zinc/82/76/02/454827602.db2.gz HGAIMMHWBCBBNE-QGZVFWFLSA-N 1 0 342.399 3.328 10 5 EGBERO Cc1sc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000150822709 454898113 /nfs/dbraw/zinc/89/81/13/454898113.db2.gz UFTPBNPFUXESPZ-CYBMUJFWSA-N 1 0 337.445 3.055 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)o2)c1 ZINC000179548528 455057009 /nfs/dbraw/zinc/05/70/09/455057009.db2.gz LKODGBSRYRAKAV-MRXNPFEDSA-N 1 0 327.384 3.135 10 5 EGBERO CC(C)C(=O)NCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179993254 455112485 /nfs/dbraw/zinc/11/24/85/455112485.db2.gz MDAOBPIPPQSUCK-GOSISDBHSA-N 1 0 341.411 3.046 10 5 EGBERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180146536 455139961 /nfs/dbraw/zinc/13/99/61/455139961.db2.gz SQNVVKFZMJQBFL-FUHWJXTLSA-N 1 0 339.395 3.078 10 5 EGBERO C[C@H]1C[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000172616779 455165215 /nfs/dbraw/zinc/16/52/15/455165215.db2.gz GCWTVPJWFCNQJU-WCQYABFASA-N 1 0 347.440 3.364 10 5 EGBERO CSC[C@@H](CCO)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180612044 455208096 /nfs/dbraw/zinc/20/80/96/455208096.db2.gz PBHONBSBBITFSS-SJLPKXTDSA-N 1 0 346.452 3.388 10 5 EGBERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245650006 455347631 /nfs/dbraw/zinc/34/76/31/455347631.db2.gz MSGHLICXYINZNH-DLBZAZTESA-N 1 0 340.383 3.162 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181528168 455349918 /nfs/dbraw/zinc/34/99/18/455349918.db2.gz OBJDXUJVFJOQGL-SCLBCKFNSA-N 1 0 345.443 3.425 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NCc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181541267 455351867 /nfs/dbraw/zinc/35/18/67/455351867.db2.gz ITGDOHBVFHTHFJ-SFHVURJKSA-N 1 0 341.411 3.260 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000185058402 455493980 /nfs/dbraw/zinc/49/39/80/455493980.db2.gz YJUGFXSKGXEUAO-GFCCVEGCSA-N 1 0 348.428 3.429 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182444937 455515166 /nfs/dbraw/zinc/51/51/66/455515166.db2.gz RVYNJOTZINLACV-DZGCQCFKSA-N 1 0 348.374 3.133 10 5 EGBERO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246900435 455534614 /nfs/dbraw/zinc/53/46/14/455534614.db2.gz FQCYQTSIGAXQPY-QRTARXTBSA-N 1 0 348.447 3.170 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000185586081 455582119 /nfs/dbraw/zinc/58/21/19/455582119.db2.gz VIVLCVIJJIHXAX-HNNXBMFYSA-N 1 0 334.416 3.457 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000185675385 455593379 /nfs/dbraw/zinc/59/33/79/455593379.db2.gz MITWTXZFXPNCLA-JMPLCFMRSA-N 1 0 345.443 3.235 10 5 EGBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000277633030 455619719 /nfs/dbraw/zinc/61/97/19/455619719.db2.gz DLAZVUHENHOPJK-CQSZACIVSA-N 1 0 349.434 3.165 10 5 EGBERO CC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192680877 455668810 /nfs/dbraw/zinc/66/88/10/455668810.db2.gz VTXFOQMTEPXQTK-KRWDZBQOSA-N 1 0 331.416 3.037 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248138200 455686714 /nfs/dbraw/zinc/68/67/14/455686714.db2.gz XZIWBBREKSNVTC-MSOLQXFVSA-N 1 0 339.395 3.078 10 5 EGBERO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192841560 455704401 /nfs/dbraw/zinc/70/44/01/455704401.db2.gz MHDFGOJTUHJDNW-QGZVFWFLSA-N 1 0 333.432 3.283 10 5 EGBERO Cc1sc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187267294 455889275 /nfs/dbraw/zinc/88/92/75/455889275.db2.gz HYKKSTHXWVDDCX-ZBEGNZNMSA-N 1 0 347.440 3.386 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520708 455978726 /nfs/dbraw/zinc/97/87/26/455978726.db2.gz LLIKLLWBCCWDDZ-ZFWWWQNUSA-N 1 0 341.415 3.073 10 5 EGBERO [NH3+]CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000262090517 455995585 /nfs/dbraw/zinc/99/55/85/455995585.db2.gz USUXMMXZOPKJLF-UXBLZVDNSA-N 1 0 325.412 3.111 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000271234634 456185202 /nfs/dbraw/zinc/18/52/02/456185202.db2.gz RRJKTOUFWCFXBA-CQSZACIVSA-N 1 0 338.766 3.081 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000237036395 456221979 /nfs/dbraw/zinc/22/19/79/456221979.db2.gz JBMJJSRATWKQJK-UHFFFAOYSA-N 1 0 342.399 3.145 10 5 EGBERO COc1cc(CN(C)Cc2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000352780293 456300061 /nfs/dbraw/zinc/30/00/61/456300061.db2.gz SWNHYAMTRAKKKX-UHFFFAOYSA-N 1 0 340.383 3.122 10 5 EGBERO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302160670 456304131 /nfs/dbraw/zinc/30/41/31/456304131.db2.gz GXLZFHHIJRIOPI-HNNXBMFYSA-N 1 0 342.399 3.075 10 5 EGBERO CN1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000340279194 456357195 /nfs/dbraw/zinc/35/71/95/456357195.db2.gz OTIGVDAKERRBQD-MOPGFXCFSA-N 1 0 341.411 3.009 10 5 EGBERO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000302816865 456407902 /nfs/dbraw/zinc/40/79/02/456407902.db2.gz IPHJWINZFNZSLH-CRAIPNDOSA-N 1 0 327.384 3.461 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291957738 456810528 /nfs/dbraw/zinc/81/05/28/456810528.db2.gz UXCMWLGMPAOXJO-DNVCBOLYSA-N 1 0 326.396 3.292 10 5 EGBERO COc1cc(C[NH2+][C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352748625 457578934 /nfs/dbraw/zinc/57/89/34/457578934.db2.gz MITXQWQQZHGZSB-CYBMUJFWSA-N 1 0 330.331 3.135 10 5 EGBERO COc1ccc(NC(=O)CC[NH2+][C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433080241 457753413 /nfs/dbraw/zinc/75/34/13/457753413.db2.gz BPGIQMVHTONDGD-SEEARECTSA-N 1 0 347.415 3.100 10 5 EGBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000411185247 457823112 /nfs/dbraw/zinc/82/31/12/457823112.db2.gz HQBXBCIGWIWYAZ-UHFFFAOYSA-N 1 0 339.395 3.023 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411303123 457854480 /nfs/dbraw/zinc/85/44/80/457854480.db2.gz UPHMYQMNEVNKFZ-QWHCGFSZSA-N 1 0 335.404 3.052 10 5 EGBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000411439064 457888700 /nfs/dbraw/zinc/88/87/00/457888700.db2.gz LPCVFWVJODTHSN-ZWKOTPCHSA-N 1 0 345.443 3.079 10 5 EGBERO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411990354 458034856 /nfs/dbraw/zinc/03/48/56/458034856.db2.gz SOGNQSWXYOPXAV-KRWDZBQOSA-N 1 0 326.400 3.061 10 5 EGBERO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000458491260 458069537 /nfs/dbraw/zinc/06/95/37/458069537.db2.gz FRSWFPFYIPFRQT-PBHICJAKSA-N 1 0 348.447 3.172 10 5 EGBERO COc1ccccc1/C=C/C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376036222 458172267 /nfs/dbraw/zinc/17/22/67/458172267.db2.gz WTPVGHLVNGNRHW-GQCTYLIASA-N 1 0 342.399 3.150 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000446486532 458191687 /nfs/dbraw/zinc/19/16/87/458191687.db2.gz VQXYPFWAXGXPBF-KBPBESRZSA-N 1 0 334.420 3.288 10 5 EGBERO Cc1cc(N2CC[C@]3(C2)CCCOC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000376486432 458315759 /nfs/dbraw/zinc/31/57/59/458315759.db2.gz HUALAIHATCDXAY-SFHVURJKSA-N 1 0 327.384 3.458 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000430219689 458423032 /nfs/dbraw/zinc/42/30/32/458423032.db2.gz OYPTYSSPZQRBPK-ZDUSSCGKSA-N 1 0 330.384 3.372 10 5 EGBERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470184452 458623692 /nfs/dbraw/zinc/62/36/92/458623692.db2.gz VSOJEOAPADIEFA-NKAIQICCSA-N 1 0 345.443 3.331 10 5 EGBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006509 458875645 /nfs/dbraw/zinc/87/56/45/458875645.db2.gz CAGDEOZQSZQISG-KUHUBIRLSA-N 1 0 342.395 3.298 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441024099 458877347 /nfs/dbraw/zinc/87/73/47/458877347.db2.gz GKGFHKVWMFVOPQ-BFUOFWGJSA-N 1 0 342.395 3.427 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000594506848 459066158 /nfs/dbraw/zinc/06/61/58/459066158.db2.gz FNLUJZMMIOXCBR-UYAOXDASSA-N 1 0 338.407 3.048 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000590567993 459151536 /nfs/dbraw/zinc/15/15/36/459151536.db2.gz SEZHKIHSHZUDJT-UHFFFAOYSA-N 1 0 341.358 3.118 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)o1 ZINC000594971269 459200989 /nfs/dbraw/zinc/20/09/89/459200989.db2.gz ZEBMCSIYGMMVCE-OAHLLOKOSA-N 1 0 338.310 3.369 10 5 EGBERO COc1ccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000594973330 459201138 /nfs/dbraw/zinc/20/11/38/459201138.db2.gz QUFVSXAGQMZKRJ-KOMQPUFPSA-N 1 0 328.368 3.303 10 5 EGBERO COc1cc(C[NH2+]C2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000594982162 459203265 /nfs/dbraw/zinc/20/32/65/459203265.db2.gz CIFQVKBYHMXAOF-UHFFFAOYSA-N 1 0 342.342 3.367 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H]1SC ZINC000595043241 459226518 /nfs/dbraw/zinc/22/65/18/459226518.db2.gz HIWGXGQJGSKIIR-NMFKLSHFSA-N 1 0 340.445 3.163 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000595044835 459226747 /nfs/dbraw/zinc/22/67/47/459226747.db2.gz FXYBPRHYYVKODK-XIKOKIGWSA-N 1 0 334.416 3.459 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000595044832 459227160 /nfs/dbraw/zinc/22/71/60/459227160.db2.gz FXYBPRHYYVKODK-KPZWWZAWSA-N 1 0 334.416 3.459 10 5 EGBERO C[C@@H](CSCCF)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000595052184 459228794 /nfs/dbraw/zinc/22/87/94/459228794.db2.gz QTQPDNPHAFOYQW-NSHDSACASA-N 1 0 325.409 3.299 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595084094 459239782 /nfs/dbraw/zinc/23/97/82/459239782.db2.gz FKNKVIXDSBOIPR-FDQGKXFDSA-N 1 0 328.416 3.390 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595089806 459241292 /nfs/dbraw/zinc/24/12/92/459241292.db2.gz MBDFRSMMBVKTNB-UHOFOFEASA-N 1 0 336.457 3.359 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595098810 459244616 /nfs/dbraw/zinc/24/46/16/459244616.db2.gz IUYJFUXISHENFE-CQSZACIVSA-N 1 0 333.432 3.380 10 5 EGBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000559590105 459267496 /nfs/dbraw/zinc/26/74/96/459267496.db2.gz HJLSZIZMFAFFSR-LBPRGKRZSA-N 1 0 349.353 3.118 10 5 EGBERO C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000560546059 459370838 /nfs/dbraw/zinc/37/08/38/459370838.db2.gz PRZTYWNBYMLHDQ-CEXWTWQISA-N 1 0 331.460 3.380 10 5 EGBERO COc1cc(C[NH+]2CCC([C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000595784585 459438610 /nfs/dbraw/zinc/43/86/10/459438610.db2.gz SENCVOWHPHWUGQ-QGZVFWFLSA-N 1 0 334.416 3.385 10 5 EGBERO Cc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582884819 459444439 /nfs/dbraw/zinc/44/44/39/459444439.db2.gz JGKLROYFZIXOKI-HNNXBMFYSA-N 1 0 341.411 3.405 10 5 EGBERO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817730 459450641 /nfs/dbraw/zinc/45/06/41/459450641.db2.gz BSSGOFCXYHEFTQ-IYXRBSQSSA-N 1 0 337.395 3.064 10 5 EGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817669 459451053 /nfs/dbraw/zinc/45/10/53/459451053.db2.gz AXRLDOWLQGKJBC-HSBZDZAISA-N 1 0 337.395 3.430 10 5 EGBERO COCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCCC1 ZINC000595909111 459482627 /nfs/dbraw/zinc/48/26/27/459482627.db2.gz MLOUFZHQUMPWLK-UHFFFAOYSA-N 1 0 349.431 3.171 10 5 EGBERO CC(C)[C@H]([NH3+])CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000596102513 459521457 /nfs/dbraw/zinc/52/14/57/459521457.db2.gz JACBQBAZYHBPCL-OAHLLOKOSA-N 1 0 334.445 3.181 10 5 EGBERO CCc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542212088 459535057 /nfs/dbraw/zinc/53/50/57/459535057.db2.gz BMUXXIQMDLZDAP-KRWDZBQOSA-N 1 0 344.411 3.029 10 5 EGBERO COc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596155871 459541332 /nfs/dbraw/zinc/54/13/32/459541332.db2.gz JXPSQJCQEOEUNY-ZJUUUORDSA-N 1 0 325.796 3.294 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592199222 459548093 /nfs/dbraw/zinc/54/80/93/459548093.db2.gz YQUIAHKFMZMPPR-HNNXBMFYSA-N 1 0 331.416 3.496 10 5 EGBERO C[N@@H+]1C[C@@H](CNCc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376345 459584188 /nfs/dbraw/zinc/58/41/88/459584188.db2.gz AJWPFBIYBBXDSG-CVEARBPZSA-N 1 0 331.441 3.091 10 5 EGBERO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000592378926 459586272 /nfs/dbraw/zinc/58/62/72/459586272.db2.gz GOOQILGKIKLTIU-NEPJUHHUSA-N 1 0 326.418 3.256 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596298704 459587979 /nfs/dbraw/zinc/58/79/79/459587979.db2.gz LWISTZNFPZWARD-AOOOYVTPSA-N 1 0 328.210 3.109 10 5 EGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1SC ZINC000592396928 459591399 /nfs/dbraw/zinc/59/13/99/459591399.db2.gz YNNRPRVEPDVNGD-HZMVEIRTSA-N 1 0 336.457 3.471 10 5 EGBERO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592438947 459599690 /nfs/dbraw/zinc/59/96/90/459599690.db2.gz XLTNRGUZAPKMIG-QGZVFWFLSA-N 1 0 331.803 3.306 10 5 EGBERO CC(C)[C@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446641 459601120 /nfs/dbraw/zinc/60/11/20/459601120.db2.gz KYYXLKHYBYEPIV-FUHWJXTLSA-N 1 0 346.427 3.011 10 5 EGBERO Cc1cc(N2CCO[C@](C)(C(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596572436 459682467 /nfs/dbraw/zinc/68/24/67/459682467.db2.gz OSKNJGRVWKQQTL-INIZCTEOSA-N 1 0 337.326 3.312 10 5 EGBERO C[NH+](C)CCCC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563036579 459701708 /nfs/dbraw/zinc/70/17/08/459701708.db2.gz KLAQPPSUEXRVJO-UHFFFAOYSA-N 1 0 346.475 3.427 10 5 EGBERO CCC[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501033451 459706807 /nfs/dbraw/zinc/70/68/07/459706807.db2.gz DSNQLPPTHMGPFS-CYBMUJFWSA-N 1 0 331.420 3.172 10 5 EGBERO CCc1ccc([C@H](NCC23CC(C2)C[NH2+]3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000596651180 459714903 /nfs/dbraw/zinc/71/49/03/459714903.db2.gz AVFVECYXNWGSBT-HRJVKACCSA-N 1 0 341.411 3.181 10 5 EGBERO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029718 459745956 /nfs/dbraw/zinc/74/59/56/459745956.db2.gz ZCZTWBTZKCMBQF-DZGCQCFKSA-N 1 0 338.429 3.145 10 5 EGBERO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000596836792 459774810 /nfs/dbraw/zinc/77/48/10/459774810.db2.gz NPQYPYQCTMBDPR-CQSZACIVSA-N 1 0 334.420 3.160 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000596867119 459782373 /nfs/dbraw/zinc/78/23/73/459782373.db2.gz QADJLTYJDWRMMY-UHFFFAOYSA-N 1 0 336.436 3.454 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596913410 459794180 /nfs/dbraw/zinc/79/41/80/459794180.db2.gz XKIKMJRDEJDHTH-AWEZNQCLSA-N 1 0 334.420 3.152 10 5 EGBERO Cn1ccc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000545519011 459836108 /nfs/dbraw/zinc/83/61/08/459836108.db2.gz NDDYVLSVYUUEOX-IBGZPJMESA-N 1 0 336.395 3.250 10 5 EGBERO Cn1ncc(C2CCC2)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597127808 459843436 /nfs/dbraw/zinc/84/34/36/459843436.db2.gz GOZGNDCRJZYSKB-UHFFFAOYSA-N 1 0 328.416 3.270 10 5 EGBERO C[C@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)C1O ZINC000597204395 459876618 /nfs/dbraw/zinc/87/66/18/459876618.db2.gz IPPXCZQBBIYAOH-STQMWFEESA-N 1 0 330.384 3.304 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)o1 ZINC000597231273 459885242 /nfs/dbraw/zinc/88/52/42/459885242.db2.gz PCMUBIDWQZLXLT-UONOGXRCSA-N 1 0 328.368 3.323 10 5 EGBERO CC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H](C)[NH2+]1 ZINC000598536165 459933490 /nfs/dbraw/zinc/93/34/90/459933490.db2.gz NKQBHZRGYOHWIZ-CMPLNLGQSA-N 1 0 333.413 3.022 10 5 EGBERO CC[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725196 459966129 /nfs/dbraw/zinc/96/61/29/459966129.db2.gz HVOUHYTTYVMXDT-IRXDYDNUSA-N 1 0 341.411 3.412 10 5 EGBERO C[NH2+]Cc1ccccc1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000593763768 459979001 /nfs/dbraw/zinc/97/90/01/459979001.db2.gz OVEAGNZOKNLJNJ-UHFFFAOYSA-N 1 0 342.399 3.253 10 5 EGBERO CC[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000588965346 460012753 /nfs/dbraw/zinc/01/27/53/460012753.db2.gz OCAZQKXOYNCJHN-SFHVURJKSA-N 1 0 337.383 3.416 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597856866 460082719 /nfs/dbraw/zinc/08/27/19/460082719.db2.gz BWJAOWZYOCNSDH-ZDUSSCGKSA-N 1 0 347.440 3.412 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597856865 460082736 /nfs/dbraw/zinc/08/27/36/460082736.db2.gz BWJAOWZYOCNSDH-CYBMUJFWSA-N 1 0 347.440 3.412 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597857595 460082804 /nfs/dbraw/zinc/08/28/04/460082804.db2.gz GHZKWXQEWMJCSX-WBVHZDCISA-N 1 0 347.459 3.153 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000599091228 460157836 /nfs/dbraw/zinc/15/78/36/460157836.db2.gz IHSSWWYGUQMARY-KBPBESRZSA-N 1 0 331.416 3.482 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156401 460181266 /nfs/dbraw/zinc/18/12/66/460181266.db2.gz BNZCBJXRAGQLCD-WMLDXEAASA-N 1 0 348.447 3.077 10 5 EGBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599625838 460291325 /nfs/dbraw/zinc/29/13/25/460291325.db2.gz PVIFIQFESCIOEH-PVTKRXDGSA-N 1 0 331.372 3.151 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599790695 460334536 /nfs/dbraw/zinc/33/45/36/460334536.db2.gz IVVBHPBEIPEZTM-OAHLLOKOSA-N 1 0 346.431 3.350 10 5 EGBERO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000611375099 460348575 /nfs/dbraw/zinc/34/85/75/460348575.db2.gz ZGXZGTZOGIEBHH-CYBMUJFWSA-N 1 0 346.383 3.342 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)o1 ZINC000604478761 460431887 /nfs/dbraw/zinc/43/18/87/460431887.db2.gz JRPWXYAXDZWFOA-JTQLQIEISA-N 1 0 337.763 3.348 10 5 EGBERO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310090 527931782 /nfs/dbraw/zinc/93/17/82/527931782.db2.gz VKJHDISQCPSOJT-HNNXBMFYSA-N 1 0 333.432 3.032 10 5 EGBERO O=[N+]([O-])c1ccc(NC(=S)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000730734604 575013989 /nfs/dbraw/zinc/01/39/89/575013989.db2.gz FMHNXXZPFMHHHN-INIZCTEOSA-N 1 0 348.472 3.242 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871359853 1296368477 /nfs/dbraw/zinc/36/84/77/1296368477.db2.gz XCBAUWRFZUMJLS-YPKPFQOOSA-N 1 0 345.443 3.377 10 5 EGBERO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051362 1296701601 /nfs/dbraw/zinc/70/16/01/1296701601.db2.gz JOVVYFORYVJFMF-NSHDSACASA-N 1 0 330.363 3.295 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000872051666 1296703131 /nfs/dbraw/zinc/70/31/31/1296703131.db2.gz JYNAMMILGIIDOX-IIYDPXPESA-N 1 0 332.375 3.377 10 5 EGBERO COC[C@@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872085581 1296725926 /nfs/dbraw/zinc/72/59/26/1296725926.db2.gz PJCKUXMKLAPSHO-WCQYABFASA-N 1 0 328.434 3.019 10 5 EGBERO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000311239694 1297106008 /nfs/dbraw/zinc/10/60/08/1297106008.db2.gz YKPBFLUDHNPTGW-KBAYOESNSA-N 1 0 338.411 3.312 10 5 EGBERO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000311239692 1297107022 /nfs/dbraw/zinc/10/70/22/1297107022.db2.gz YKPBFLUDHNPTGW-CGTJXYLNSA-N 1 0 338.411 3.312 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)O2)CO1 ZINC000886331318 1303436628 /nfs/dbraw/zinc/43/66/28/1303436628.db2.gz DTNNSROKYDSBQM-DIOULYMOSA-N 1 0 340.807 3.064 10 5 EGBERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])O2)[C@H]1C ZINC000886341394 1303442566 /nfs/dbraw/zinc/44/25/66/1303442566.db2.gz UQDBATRGZVTODD-FNXWVCSGSA-N 1 0 346.427 3.170 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]CC3CSC3)o2)c([N+](=O)[O-])c1 ZINC000895422434 1309330991 /nfs/dbraw/zinc/33/09/91/1309330991.db2.gz DHLRZFZHTPIPOO-UHFFFAOYSA-N 1 0 334.397 3.316 10 5 EGBERO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C[NH+]1CCCC1 ZINC000858627000 1328813954 /nfs/dbraw/zinc/81/39/54/1328813954.db2.gz ONZUGYVDELPVLZ-AWEZNQCLSA-N 1 0 341.411 3.210 10 5 EGBERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859508374 1329002998 /nfs/dbraw/zinc/00/29/98/1329002998.db2.gz WPHIMHDTTFKPEJ-GOSISDBHSA-N 1 0 341.411 3.160 10 5 EGBERO COc1cc(C[NH2+]CC2CCC(SC)CC2)c([N+](=O)[O-])cc1O ZINC000922419204 1322525432 /nfs/dbraw/zinc/52/54/32/1322525432.db2.gz KNMXJHAEQWGUNO-UHFFFAOYSA-N 1 0 340.445 3.320 10 5 EGBERO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763205 1325291025 /nfs/dbraw/zinc/29/10/25/1325291025.db2.gz QYZSLBBNQJNGRR-CHWSQXEVSA-N 1 0 342.237 3.107 10 5 EGBERO CCC[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778975 1325296718 /nfs/dbraw/zinc/29/67/18/1325296718.db2.gz LCVMPCZGQQQYCS-UKRRQHHQSA-N 1 0 327.375 3.270 10 5 EGBERO CN(C)[C@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000926959261 1327797577 /nfs/dbraw/zinc/79/75/77/1327797577.db2.gz QYMIERROPSORBI-GXTWGEPZSA-N 1 0 331.338 3.054 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927016326 1327821757 /nfs/dbraw/zinc/82/17/57/1327821757.db2.gz KADBOLWMOUSVMZ-QWHCGFSZSA-N 1 0 338.379 3.113 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000927063252 1327837048 /nfs/dbraw/zinc/83/70/48/1327837048.db2.gz ATBOHLFPOKYOEB-OWCLPIDISA-N 1 0 341.415 3.337 10 5 EGBERO O=C(OCC12CCC[NH+](CCC1)C2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000861358774 1329412609 /nfs/dbraw/zinc/41/26/09/1329412609.db2.gz KMJKKLAPBPOYIW-UHFFFAOYSA-N 1 0 338.791 3.281 10 5 EGBERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861952000 1329452626 /nfs/dbraw/zinc/45/26/26/1329452626.db2.gz AYAVXBHMIZGBAT-AWEZNQCLSA-N 1 0 341.411 3.210 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000866022637 1329759767 /nfs/dbraw/zinc/75/97/67/1329759767.db2.gz BDJINAAJDIEOIH-UHFFFAOYSA-N 1 0 343.431 3.087 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866367246 1330102832 /nfs/dbraw/zinc/10/28/32/1330102832.db2.gz XDGXQBVSAUAQHB-WBVHZDCISA-N 1 0 345.443 3.006 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866532825 1330122947 /nfs/dbraw/zinc/12/29/47/1330122947.db2.gz MRTTUTBCJDBBRN-DLBZAZTESA-N 1 0 334.416 3.221 10 5 EGBERO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c(C)n2n1 ZINC000866539352 1330123951 /nfs/dbraw/zinc/12/39/51/1330123951.db2.gz BEBJEZDOCUWHTK-ZDUSSCGKSA-N 1 0 339.399 3.414 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1C(F)F ZINC000866567122 1330127848 /nfs/dbraw/zinc/12/78/48/1330127848.db2.gz JJZVTIZMFORFDI-SECBINFHSA-N 1 0 342.321 3.126 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001185555079 1387746566 /nfs/dbraw/zinc/74/65/66/1387746566.db2.gz HLDWQXLNXWFPSV-OAHLLOKOSA-N 1 0 347.415 3.058 10 5 EGBERO C[C@@H](c1ccccc1)[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC001192380139 1367768575 /nfs/dbraw/zinc/76/85/75/1367768575.db2.gz KPMBNXCNTMKMJE-HNNXBMFYSA-N 1 0 330.384 3.029 10 5 EGBERO CCOc1cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001194497130 1368274398 /nfs/dbraw/zinc/27/43/98/1368274398.db2.gz FMVJSHFCVVAURW-YJBOKZPZSA-N 1 0 338.448 3.372 10 5 EGBERO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC001197231317 1368768293 /nfs/dbraw/zinc/76/82/93/1368768293.db2.gz VYUVYAZRTXMZAC-ABAIWWIYSA-N 1 0 327.340 3.120 10 5 EGBERO Cc1c(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001197681474 1368872587 /nfs/dbraw/zinc/87/25/87/1368872587.db2.gz JOSMDIYIMLGFCA-AZUAARDMSA-N 1 0 338.407 3.303 10 5 EGBERO Cc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001197928912 1368926312 /nfs/dbraw/zinc/92/63/12/1368926312.db2.gz AFMOUBSGHXGAGL-OAHLLOKOSA-N 1 0 326.400 3.009 10 5 EGBERO CN(C)CC[N@H+](C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001186633301 1387991590 /nfs/dbraw/zinc/99/15/90/1387991590.db2.gz PYLXQRAJQXDQMQ-UHFFFAOYSA-N 1 0 349.262 3.197 10 5 EGBERO CC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC001118810504 1371234716 /nfs/dbraw/zinc/23/47/16/1371234716.db2.gz JEZVVCCETKLHGJ-UHFFFAOYSA-N 1 0 341.411 3.304 10 5 EGBERO CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001326490194 1388215149 /nfs/dbraw/zinc/21/51/49/1388215149.db2.gz NQVIPHWBCPAZLA-MQMHXKEQSA-N 1 0 339.461 3.221 10 5 EGBERO Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001124469668 1372704112 /nfs/dbraw/zinc/70/41/12/1372704112.db2.gz LCQXZIPYSWLAMV-UHFFFAOYSA-N 1 0 340.314 3.480 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC001127595163 1373144801 /nfs/dbraw/zinc/14/48/01/1373144801.db2.gz OWHHFSLATMFJRG-NWDGAFQWSA-N 1 0 339.823 3.111 10 5 EGBERO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001127842404 1373189134 /nfs/dbraw/zinc/18/91/34/1373189134.db2.gz FEONRCMZFRAOHU-MSOLQXFVSA-N 1 0 347.459 3.279 10 5 EGBERO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001287941743 1381431417 /nfs/dbraw/zinc/43/14/17/1381431417.db2.gz BTNKVSHTUDTZBU-QGZVFWFLSA-N 1 0 345.443 3.430 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001164036807 1383149132 /nfs/dbraw/zinc/14/91/32/1383149132.db2.gz FCQIFCXVTHIGBX-CQSZACIVSA-N 1 0 333.775 3.105 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c2ncccc12 ZINC001164191152 1383164714 /nfs/dbraw/zinc/16/47/14/1383164714.db2.gz ZJJRGEJTZLAFPE-MRXNPFEDSA-N 1 0 334.379 3.294 10 5 EGBERO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307931045 1384057981 /nfs/dbraw/zinc/05/79/81/1384057981.db2.gz WAIJLFLHEZCTEP-ZANVPECISA-N 1 0 332.231 3.426 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001307950877 1384062168 /nfs/dbraw/zinc/06/21/68/1384062168.db2.gz AADFCKUAALLFFC-DLBZAZTESA-N 1 0 348.443 3.379 10 5 EGBERO C[C@](CO)([NH2+]Cc1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1 ZINC001307999934 1384071274 /nfs/dbraw/zinc/07/12/74/1384071274.db2.gz PECYQFDNPWJIJS-LJQANCHMSA-N 1 0 337.379 3.140 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC001308069367 1384085288 /nfs/dbraw/zinc/08/52/88/1384085288.db2.gz VBUZPSPOJDDVEY-NWDGAFQWSA-N 1 0 331.347 3.412 10 5 EGBERO Cc1cccc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC001176855735 1385725189 /nfs/dbraw/zinc/72/51/89/1385725189.db2.gz HLIRDPJDBQUQFI-UHFFFAOYSA-N 1 0 326.400 3.197 10 5 EGBERO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001318939126 1385889688 /nfs/dbraw/zinc/88/96/88/1385889688.db2.gz QMARDRKSMZWHOP-HDJSIYSDSA-N 1 0 339.461 3.219 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccoc1 ZINC001319345033 1386072027 /nfs/dbraw/zinc/07/20/27/1386072027.db2.gz VSDVSGDRNGQPCD-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001180119674 1386703110 /nfs/dbraw/zinc/70/31/10/1386703110.db2.gz SBNIVFNRTADAEP-NSHDSACASA-N 1 0 345.802 3.093 10 5 EGBERO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001480944299 1393039288 /nfs/dbraw/zinc/03/92/88/1393039288.db2.gz AUWYLFFVBFKAHC-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO CC(C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001690290889 1404450552 /nfs/dbraw/zinc/45/05/52/1404450552.db2.gz CWCAFAFHWBPLHV-WKILWMFISA-N 1 0 333.432 3.158 10 5 EGBERO CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001732023664 1428241720 /nfs/dbraw/zinc/24/17/20/1428241720.db2.gz HWVAXSXBWMUYEF-XLQJCVBWSA-N 1 0 343.427 3.126 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CC(C)(C)C1 ZINC001699528657 1412907053 /nfs/dbraw/zinc/90/70/53/1412907053.db2.gz JCIPWSBURWUIOR-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO C=C/C(C)=C/CC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001732589721 1428810643 /nfs/dbraw/zinc/81/06/43/1428810643.db2.gz PFWRACRBHXAWBI-GIDUJCDVSA-N 1 0 331.416 3.007 10 5 EGBERO CCc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001713659194 1418419023 /nfs/dbraw/zinc/41/90/23/1418419023.db2.gz GRKFPDSMIYQVBS-UHFFFAOYSA-N 1 0 341.411 3.019 10 5 EGBERO CCCCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001713781584 1418597998 /nfs/dbraw/zinc/59/79/98/1418597998.db2.gz LCUARCAAEXHPNJ-UHFFFAOYSA-N 1 0 333.432 3.208 10 5 EGBERO CC(C)(C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001716688974 1420841776 /nfs/dbraw/zinc/84/17/76/1420841776.db2.gz QSYDSOHYYYIIQD-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO CC(C)C(=O)NC1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001725791904 1426477514 /nfs/dbraw/zinc/47/75/14/1426477514.db2.gz HGRXMRIFGFBKSU-UHFFFAOYSA-N 1 0 345.443 3.112 10 5 EGBERO CC/C=C(/C)C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001731872791 1428132113 /nfs/dbraw/zinc/13/21/13/1428132113.db2.gz UYXXRUUGFGCMOS-RZNTYIFUSA-N 1 0 331.416 3.032 10 5 EGBERO Cc1cc(C)cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001731976777 1428191810 /nfs/dbraw/zinc/19/18/10/1428191810.db2.gz FYBFCHXDXOMWBF-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC001731977553 1428192624 /nfs/dbraw/zinc/19/26/24/1428192624.db2.gz XXBFASQZVKEGHD-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO O=C(CC1CCCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001733712484 1429930051 /nfs/dbraw/zinc/93/00/51/1429930051.db2.gz WUIZRVDFBHYKEI-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+]CCC(F)(F)F)ccc1Br ZINC000063099500 214743587 /nfs/dbraw/zinc/74/35/87/214743587.db2.gz WCDZCNIQTPHOOR-UHFFFAOYSA-N 1 0 327.100 3.399 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175906453 529627975 /nfs/dbraw/zinc/62/79/75/529627975.db2.gz JEODCKDXIRVWBV-RHSMWYFYSA-N 1 0 348.447 3.077 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132835155 223366529 /nfs/dbraw/zinc/36/65/29/223366529.db2.gz KWIONBWQNWCSNA-ZWKOTPCHSA-N 1 0 333.432 3.083 10 5 EGBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000268172847 251688790 /nfs/dbraw/zinc/68/87/90/251688790.db2.gz PYAFGJWUFKBWFK-AWEZNQCLSA-N 1 0 333.432 3.059 10 5 EGBERO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000352971816 141280804 /nfs/dbraw/zinc/28/08/04/141280804.db2.gz ZHVPIWIGLWHULP-QGZVFWFLSA-N 1 0 339.399 3.167 10 5 EGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000106206369 143933837 /nfs/dbraw/zinc/93/38/37/143933837.db2.gz UKDZKEYNDNYRSD-KRWDZBQOSA-N 1 0 344.415 3.161 10 5 EGBERO COc1cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])cc1F ZINC000187764292 144164361 /nfs/dbraw/zinc/16/43/61/144164361.db2.gz IBMQOBYQFXVZCF-LSDHHAIUSA-N 1 0 348.378 3.213 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000344767022 144222030 /nfs/dbraw/zinc/22/20/30/144222030.db2.gz YHWOPVGWJSVTIF-PXAZEXFGSA-N 1 0 346.383 3.114 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000341109710 155164908 /nfs/dbraw/zinc/16/49/08/155164908.db2.gz UYWORGNRWJCPHS-STQMWFEESA-N 1 0 346.431 3.154 10 5 EGBERO Cc1c(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cccc1[N+](=O)[O-] ZINC000341375595 155254235 /nfs/dbraw/zinc/25/42/35/155254235.db2.gz IBJQMECTYPAAIU-UHFFFAOYSA-N 1 0 343.408 3.106 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccnc1 ZINC000341586488 155368625 /nfs/dbraw/zinc/36/86/25/155368625.db2.gz DPWYVAJWZUARFA-OLZOCXBDSA-N 1 0 328.372 3.058 10 5 EGBERO CS[C@H](CO)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807796 154129818 /nfs/dbraw/zinc/12/98/18/154129818.db2.gz GVMGTTQSRAHUTJ-VHSSKADRSA-N 1 0 346.452 3.386 10 5 EGBERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455410 154360806 /nfs/dbraw/zinc/36/08/06/154360806.db2.gz HKJGKQAZEDLUCO-WDEREUQCSA-N 1 0 345.321 3.196 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341051166 155130079 /nfs/dbraw/zinc/13/00/79/155130079.db2.gz ZPYRCAIDTNLJMA-CHWSQXEVSA-N 1 0 345.399 3.334 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365439551 157125876 /nfs/dbraw/zinc/12/58/76/157125876.db2.gz PXALDVMKWMARLO-UHFFFAOYSA-N 1 0 346.431 3.350 10 5 EGBERO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCc2cccnc21 ZINC000126939145 162318556 /nfs/dbraw/zinc/31/85/56/162318556.db2.gz IHGTVQOFEWKOHB-MRXNPFEDSA-N 1 0 343.431 3.222 10 5 EGBERO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249562106 163063713 /nfs/dbraw/zinc/06/37/13/163063713.db2.gz LXAYCVBWXJCKJT-QWHCGFSZSA-N 1 0 336.388 3.003 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCC2)c1 ZINC000338754035 163338311 /nfs/dbraw/zinc/33/83/11/163338311.db2.gz DEVFKRGWJDDFFI-UHFFFAOYSA-N 1 0 335.404 3.059 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000340104658 163485208 /nfs/dbraw/zinc/48/52/08/163485208.db2.gz JILHHOBDJRJRAX-QFBILLFUSA-N 1 0 341.411 3.138 10 5 EGBERO CN1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000352093575 165232547 /nfs/dbraw/zinc/23/25/47/165232547.db2.gz RJOXSCJKBAGEEI-MOPGFXCFSA-N 1 0 341.411 3.009 10 5 EGBERO COc1cc(C[N@H+](C)CCN(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352407249 165384803 /nfs/dbraw/zinc/38/48/03/165384803.db2.gz TWKRJTYXODBHON-UHFFFAOYSA-N 1 0 329.400 3.172 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359553027 167191107 /nfs/dbraw/zinc/19/11/07/167191107.db2.gz GXMWHPZWIQVOIK-ACJLOTCBSA-N 1 0 331.416 3.354 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359557216 167191881 /nfs/dbraw/zinc/19/18/81/167191881.db2.gz MYMHYWAPLJIPQV-UGSOOPFHSA-N 1 0 347.415 3.054 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000359858059 167250066 /nfs/dbraw/zinc/25/00/66/167250066.db2.gz QBKJWROSXCPVFF-KRWDZBQOSA-N 1 0 343.383 3.096 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000368057941 168305227 /nfs/dbraw/zinc/30/52/27/168305227.db2.gz OYQSNZGMDAHRAX-WMZOPIPTSA-N 1 0 347.365 3.408 10 5 EGBERO Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171649285 227198021 /nfs/dbraw/zinc/19/80/21/227198021.db2.gz QIVSUJOMISUCEM-KRWDZBQOSA-N 1 0 340.427 3.275 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000175097025 265093376 /nfs/dbraw/zinc/09/33/76/265093376.db2.gz VTNSZLKVXHWEMX-UHFFFAOYSA-N 1 0 347.459 3.301 10 5 EGBERO COc1ccc(C[N@@H+]2CCc3cccc(OC)c3CC2)cc1[N+](=O)[O-] ZINC000193714838 266056174 /nfs/dbraw/zinc/05/61/74/266056174.db2.gz SJSQBFWWHNJDCV-UHFFFAOYSA-N 1 0 342.395 3.213 10 5 EGBERO CO[C@@H](CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000345484751 274057543 /nfs/dbraw/zinc/05/75/43/274057543.db2.gz MRENQXCANACPGS-FZMZJTMJSA-N 1 0 334.338 3.473 10 5 EGBERO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000178926298 275035477 /nfs/dbraw/zinc/03/54/77/275035477.db2.gz ODLCHTJUHVJOLZ-UHFFFAOYSA-N 1 0 343.349 3.284 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000189490348 278023080 /nfs/dbraw/zinc/02/30/80/278023080.db2.gz GASMVIKZIDVODW-UHFFFAOYSA-N 1 0 331.416 3.029 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](O)C(F)F ZINC000295087511 308289856 /nfs/dbraw/zinc/28/98/56/308289856.db2.gz RBZWIPNDRILBOJ-WFASDCNBSA-N 1 0 340.326 3.349 10 5 EGBERO C[C@@H]1C[NH+](Cc2cccc(Nc3ccc([N+](=O)[O-])cn3)c2)C[C@@H](C)O1 ZINC000301341195 308696960 /nfs/dbraw/zinc/69/69/60/308696960.db2.gz DZXCKRUCFCXDPV-ZIAGYGMSSA-N 1 0 342.399 3.343 10 5 EGBERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000397472394 308904430 /nfs/dbraw/zinc/90/44/30/308904430.db2.gz IAGMLZBRUVUTRN-UHFFFAOYSA-N 1 0 343.449 3.439 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415689815 309141168 /nfs/dbraw/zinc/14/11/68/309141168.db2.gz DFZWWIDZDCLEIN-LBPRGKRZSA-N 1 0 334.420 3.013 10 5 EGBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+]1CCCC1 ZINC000416331364 309168998 /nfs/dbraw/zinc/16/89/98/309168998.db2.gz BNGCOWKOISQUMS-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CCCC2 ZINC000417353844 309202654 /nfs/dbraw/zinc/20/26/54/309202654.db2.gz YFUXBIDDUWMXHH-XJKSGUPXSA-N 1 0 326.400 3.233 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CCCC2 ZINC000417353841 309202705 /nfs/dbraw/zinc/20/27/05/309202705.db2.gz YFUXBIDDUWMXHH-BBRMVZONSA-N 1 0 326.400 3.233 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421770442 309339403 /nfs/dbraw/zinc/33/94/03/309339403.db2.gz BIVURTCEJCLYGP-UHFFFAOYSA-N 1 0 333.432 3.063 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]2O)ccc1Oc1ccc(F)cc1 ZINC000424200795 309432761 /nfs/dbraw/zinc/43/27/61/309432761.db2.gz MYPRBJMJWHWPRF-GDBMZVCRSA-N 1 0 332.331 3.139 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000431077822 309625067 /nfs/dbraw/zinc/62/50/67/309625067.db2.gz QRXCDNWLQZFBFD-LFUGVXIPSA-N 1 0 347.415 3.099 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC(C)(F)F ZINC000449348593 310055818 /nfs/dbraw/zinc/05/58/18/310055818.db2.gz CTEVHWWUERJONF-LLVKDONJSA-N 1 0 329.347 3.337 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000449541100 310070249 /nfs/dbraw/zinc/07/02/49/310070249.db2.gz ZAUPHXSCTAGNCF-GOSISDBHSA-N 1 0 341.411 3.212 10 5 EGBERO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537075205 314159785 /nfs/dbraw/zinc/15/97/85/314159785.db2.gz KKBVCUBTVTVLQQ-QWHCGFSZSA-N 1 0 345.374 3.262 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000539063066 314293764 /nfs/dbraw/zinc/29/37/64/314293764.db2.gz POUNMWXKWPJZAK-DGCLKSJQSA-N 1 0 341.358 3.479 10 5 EGBERO Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000552100898 315198023 /nfs/dbraw/zinc/19/80/23/315198023.db2.gz YPLXWFQRUYTJEH-WMLDXEAASA-N 1 0 329.400 3.435 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+](CC/C=C\c3ccccc3)CC2)cn1 ZINC000564044519 316105810 /nfs/dbraw/zinc/10/58/10/316105810.db2.gz QNSLELAJFQLRRZ-YWEYNIOJSA-N 1 0 338.411 3.215 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1SC ZINC000569084569 316863189 /nfs/dbraw/zinc/86/31/89/316863189.db2.gz RKGBJLYTKRUJRI-BBWFWOEESA-N 1 0 349.456 3.117 10 5 EGBERO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572640804 317368716 /nfs/dbraw/zinc/36/87/16/317368716.db2.gz VIFJLOUSMBFVLS-NSHDSACASA-N 1 0 327.388 3.011 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000183477447 323617565 /nfs/dbraw/zinc/61/75/65/323617565.db2.gz DPGYZXJQOLQSIN-MRXNPFEDSA-N 1 0 339.395 3.078 10 5 EGBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379686463 324241917 /nfs/dbraw/zinc/24/19/17/324241917.db2.gz PPCWAAQJPZCAPB-QGZVFWFLSA-N 1 0 340.427 3.187 10 5 EGBERO COC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000579014886 325050909 /nfs/dbraw/zinc/05/09/09/325050909.db2.gz GUXCOEKALFSGED-UHFFFAOYSA-N 1 0 330.340 3.040 10 5 EGBERO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccn1C ZINC000581512244 325367302 /nfs/dbraw/zinc/36/73/02/325367302.db2.gz SVDCBVNGUUTVKG-OAHLLOKOSA-N 1 0 327.388 3.093 10 5 EGBERO CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583574558 325535315 /nfs/dbraw/zinc/53/53/15/325535315.db2.gz CRERKGOEASAYES-LPHOPBHVSA-N 1 0 339.439 3.345 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000264548873 455234856 /nfs/dbraw/zinc/23/48/56/455234856.db2.gz OLDQDXFTXFAXTG-OAHLLOKOSA-N 1 0 343.383 3.261 10 5 EGBERO Cc1ccc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000190449376 455320908 /nfs/dbraw/zinc/32/09/08/455320908.db2.gz UUIRVXDPWXUEOV-KRWDZBQOSA-N 1 0 340.427 3.257 10 5 EGBERO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000184221908 455363843 /nfs/dbraw/zinc/36/38/43/455363843.db2.gz VZXYBHKNQMEHDD-GFCCVEGCSA-N 1 0 348.428 3.348 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000076198579 453978647 /nfs/dbraw/zinc/97/86/47/453978647.db2.gz QYJWMGPSJJXXHW-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO Cc1sc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000044582289 454107885 /nfs/dbraw/zinc/10/78/85/454107885.db2.gz XDSFQIXDAMGBIX-VXGBXAGGSA-N 1 0 339.461 3.063 10 5 EGBERO Cc1sc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000044582287 454108212 /nfs/dbraw/zinc/10/82/12/454108212.db2.gz XDSFQIXDAMGBIX-TXEJJXNPSA-N 1 0 339.461 3.063 10 5 EGBERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184664231 455423021 /nfs/dbraw/zinc/42/30/21/455423021.db2.gz MRLOMCIOIKCDID-LBPRGKRZSA-N 1 0 335.404 3.100 10 5 EGBERO CNc1ccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000071792504 454217920 /nfs/dbraw/zinc/21/79/20/454217920.db2.gz XTWHTAUHJDMPBV-GFCCVEGCSA-N 1 0 342.399 3.446 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119869287 454229790 /nfs/dbraw/zinc/22/97/90/454229790.db2.gz JBJCAJVRFPXUTQ-UHFFFAOYSA-N 1 0 348.447 3.454 10 5 EGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2CCc2ccccc2)n1 ZINC000090010588 454262076 /nfs/dbraw/zinc/26/20/76/454262076.db2.gz JYAWJIWAGLLSLT-KRWDZBQOSA-N 1 0 328.416 3.279 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000078614116 454286317 /nfs/dbraw/zinc/28/63/17/454286317.db2.gz NPWZUJBGQRGTMF-UHFFFAOYSA-N 1 0 333.432 3.289 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000120371537 454293114 /nfs/dbraw/zinc/29/31/14/454293114.db2.gz IITXREHZIAVSSW-CJNGLKHVSA-N 1 0 334.420 3.097 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000120371193 454293194 /nfs/dbraw/zinc/29/31/94/454293194.db2.gz QGDLOKDGTJVWBO-UKRRQHHQSA-N 1 0 334.420 3.097 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC000090530814 454317577 /nfs/dbraw/zinc/31/75/77/454317577.db2.gz NAXOAVBKFXZNOB-DGCLKSJQSA-N 1 0 332.404 3.307 10 5 EGBERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000121307369 454419251 /nfs/dbraw/zinc/41/92/51/454419251.db2.gz OKRNDPBMJIQIMP-CQSZACIVSA-N 1 0 341.411 3.471 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000162792420 454800807 /nfs/dbraw/zinc/80/08/07/454800807.db2.gz DGILXTQQVOZZRI-ZBFHGGJFSA-N 1 0 346.431 3.382 10 5 EGBERO CC(C)COC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177017933 454812103 /nfs/dbraw/zinc/81/21/03/454812103.db2.gz FHORGUOLEVKKHK-UHFFFAOYSA-N 1 0 333.388 3.373 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177253574 454842978 /nfs/dbraw/zinc/84/29/78/454842978.db2.gz GHXULTHDVZGQCT-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000127381203 454958958 /nfs/dbraw/zinc/95/89/58/454958958.db2.gz ORWYWWWWOBOTSW-RISCZKNCSA-N 1 0 339.823 3.051 10 5 EGBERO CCC[NH+]1CCC(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600957133 460658408 /nfs/dbraw/zinc/65/84/08/460658408.db2.gz FBRBSMZCHCFUJK-UHFFFAOYSA-N 1 0 345.443 3.007 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)cccc1[N+](=O)[O-] ZINC000180513089 455187109 /nfs/dbraw/zinc/18/71/09/455187109.db2.gz ZODBMVRNBOBTMW-ZIAGYGMSSA-N 1 0 343.431 3.284 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000245520015 455320617 /nfs/dbraw/zinc/32/06/17/455320617.db2.gz JEKLYDDWVRFDSC-WMZOPIPTSA-N 1 0 347.459 3.151 10 5 EGBERO CC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000283858285 455604335 /nfs/dbraw/zinc/60/43/35/455604335.db2.gz UIZUYWYKLPYOHU-ZBFHGGJFSA-N 1 0 331.416 3.249 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192712452 455675554 /nfs/dbraw/zinc/67/55/54/455675554.db2.gz KUOLTEKUNUKXDF-MSOLQXFVSA-N 1 0 342.395 3.304 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccs1 ZINC000192798659 455696074 /nfs/dbraw/zinc/69/60/74/455696074.db2.gz NHRYQKDDJSUUNZ-NSHDSACASA-N 1 0 349.412 3.344 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000277887845 455697995 /nfs/dbraw/zinc/69/79/95/455697995.db2.gz CBCUVSDKLHPYRY-UHFFFAOYSA-N 1 0 339.823 3.113 10 5 EGBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000192810366 455699244 /nfs/dbraw/zinc/69/92/44/455699244.db2.gz CPIASJPKYXEAGR-GOEBONIOSA-N 1 0 341.415 3.013 10 5 EGBERO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 ZINC000278340514 455823846 /nfs/dbraw/zinc/82/38/46/455823846.db2.gz CMPBGZWVZLOHKB-CQSZACIVSA-N 1 0 331.401 3.247 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000285705520 455900065 /nfs/dbraw/zinc/90/00/65/455900065.db2.gz GTTYLBUZOHUUDK-UHFFFAOYSA-N 1 0 345.399 3.090 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@]12CCCO2 ZINC000272670601 456033531 /nfs/dbraw/zinc/03/35/31/456033531.db2.gz KJGJMORDVBPIAA-XHSDSOJGSA-N 1 0 340.807 3.064 10 5 EGBERO CCOc1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301413868 456109882 /nfs/dbraw/zinc/10/98/82/456109882.db2.gz ASOLBZPRILKJGC-UHFFFAOYSA-N 1 0 341.411 3.316 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000301799142 456218320 /nfs/dbraw/zinc/21/83/20/456218320.db2.gz VAZDSIGJRXPHDO-BLLLJJGKSA-N 1 0 349.406 3.196 10 5 EGBERO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C1 ZINC000340153071 456283840 /nfs/dbraw/zinc/28/38/40/456283840.db2.gz XLVYCJBAEKDNNM-OAHLLOKOSA-N 1 0 340.427 3.256 10 5 EGBERO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282430615 456512013 /nfs/dbraw/zinc/51/20/13/456512013.db2.gz MJKGWEJKMCHPED-DLBZAZTESA-N 1 0 326.400 3.373 10 5 EGBERO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310279702 456581708 /nfs/dbraw/zinc/58/17/08/456581708.db2.gz VZFFLROGKSNOCC-GOEBONIOSA-N 1 0 326.400 3.312 10 5 EGBERO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000310279219 456581946 /nfs/dbraw/zinc/58/19/46/456581946.db2.gz VRPUSMITKVTBDC-RRFJBIMHSA-N 1 0 344.440 3.374 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000348514043 456725910 /nfs/dbraw/zinc/72/59/10/456725910.db2.gz ZHTPPQDQCCUBTC-FZKQIMNGSA-N 1 0 336.432 3.270 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000348514042 456726109 /nfs/dbraw/zinc/72/61/09/456726109.db2.gz ZHTPPQDQCCUBTC-ACJLOTCBSA-N 1 0 336.432 3.270 10 5 EGBERO C[NH+](C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cc1Cl ZINC000347055342 457207703 /nfs/dbraw/zinc/20/77/03/457207703.db2.gz PJTIIUBDBFMPEJ-UHFFFAOYSA-N 1 0 340.836 3.273 10 5 EGBERO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339683973 457211445 /nfs/dbraw/zinc/21/14/45/457211445.db2.gz QNRVNXJHRMUPGH-GFCCVEGCSA-N 1 0 329.322 3.287 10 5 EGBERO CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000342474215 457323742 /nfs/dbraw/zinc/32/37/42/457323742.db2.gz QLVABAKJOCEISH-RHSMWYFYSA-N 1 0 333.432 3.283 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000340104652 457333146 /nfs/dbraw/zinc/33/31/46/457333146.db2.gz JILHHOBDJRJRAX-APWZRJJASA-N 1 0 341.411 3.138 10 5 EGBERO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000340104655 457333983 /nfs/dbraw/zinc/33/39/83/457333983.db2.gz JILHHOBDJRJRAX-LPHOPBHVSA-N 1 0 341.411 3.138 10 5 EGBERO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347356804 457371174 /nfs/dbraw/zinc/37/11/74/457371174.db2.gz XKGVBPCBMLDGAV-YVEFUNNKSA-N 1 0 340.383 3.058 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374198080 457519805 /nfs/dbraw/zinc/51/98/05/457519805.db2.gz GVPRSRGWJCZJMX-UHFFFAOYSA-N 1 0 344.415 3.485 10 5 EGBERO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425558893 457599582 /nfs/dbraw/zinc/59/95/82/457599582.db2.gz YGWHRSZRHLVMJS-GOSISDBHSA-N 1 0 346.427 3.385 10 5 EGBERO C[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942514 457657096 /nfs/dbraw/zinc/65/70/96/457657096.db2.gz FTVATWJGNWTZJW-BEFAXECRSA-N 1 0 327.428 3.472 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284498 457849597 /nfs/dbraw/zinc/84/95/97/457849597.db2.gz SGHMQQDKZNTKQS-CYBMUJFWSA-N 1 0 335.404 3.197 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210984 457861138 /nfs/dbraw/zinc/86/11/38/457861138.db2.gz YMHOAIQVYVHXKM-JSQNDZKTSA-N 1 0 331.416 3.035 10 5 EGBERO COc1cc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000429121879 458275592 /nfs/dbraw/zinc/27/55/92/458275592.db2.gz IIMSGEBBOZTUBK-DIFFPNOSSA-N 1 0 348.424 3.457 10 5 EGBERO C[NH+](C)CCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000447652077 458327330 /nfs/dbraw/zinc/32/73/30/458327330.db2.gz CWOMNKUHXNSAIB-UHFFFAOYSA-N 1 0 330.409 3.480 10 5 EGBERO C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc([N+](=O)[O-])c1 ZINC000423533830 458453643 /nfs/dbraw/zinc/45/36/43/458453643.db2.gz YWOHVVJXNVKHPM-RWBCNSPNSA-N 1 0 329.444 3.399 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000438957668 458634111 /nfs/dbraw/zinc/63/41/11/458634111.db2.gz KCCLJCOXDCAALS-VXGBXAGGSA-N 1 0 339.823 3.111 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000462763920 458651400 /nfs/dbraw/zinc/65/14/00/458651400.db2.gz MUUUZEYNVZFRTR-NVXWUHKLSA-N 1 0 347.459 3.154 10 5 EGBERO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000530340797 458749705 /nfs/dbraw/zinc/74/97/05/458749705.db2.gz VHFOQJRBJXJPIG-UHFFFAOYSA-N 1 0 328.372 3.084 10 5 EGBERO CC[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439965459 458771023 /nfs/dbraw/zinc/77/10/23/458771023.db2.gz PSXSOGMZCDMJME-NSHDSACASA-N 1 0 348.428 3.387 10 5 EGBERO COC(=O)c1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000474773615 458900407 /nfs/dbraw/zinc/90/04/07/458900407.db2.gz JTIVKFICOYDCMO-CQSZACIVSA-N 1 0 349.431 3.080 10 5 EGBERO COc1ccc(C[NH2+]C[C@H]2CSc3ccccc3O2)cc1[N+](=O)[O-] ZINC000519658003 458982453 /nfs/dbraw/zinc/98/24/53/458982453.db2.gz XNAVDRMNEAWJSH-ZDUSSCGKSA-N 1 0 346.408 3.246 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnn4ccccc34)c2c1 ZINC000577437883 459032171 /nfs/dbraw/zinc/03/21/71/459032171.db2.gz JGSPICGZMSCMRA-UHFFFAOYSA-N 1 0 335.367 3.056 10 5 EGBERO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000594581123 459096189 /nfs/dbraw/zinc/09/61/89/459096189.db2.gz RQXVZMSJEUIDBT-CYBMUJFWSA-N 1 0 345.346 3.303 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000594957197 459192571 /nfs/dbraw/zinc/19/25/71/459192571.db2.gz PPNHGHBDZPRGSU-INIZCTEOSA-N 1 0 346.383 3.114 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](O)C34CCC4)o2)c1 ZINC000594988023 459206914 /nfs/dbraw/zinc/20/69/14/459206914.db2.gz NZXIVYNMNNXTKH-IAGOWNOFSA-N 1 0 328.368 3.248 10 5 EGBERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595054024 459229386 /nfs/dbraw/zinc/22/93/86/459229386.db2.gz MSIGBOACUPAOJH-SJORKVTESA-N 1 0 331.460 3.378 10 5 EGBERO CCC[C@H]([NH2+][C@H](COC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000595075610 459238328 /nfs/dbraw/zinc/23/83/28/459238328.db2.gz ZPGJNGWNCMDNAI-ZWKOTPCHSA-N 1 0 336.432 3.467 10 5 EGBERO CC[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595099518 459244385 /nfs/dbraw/zinc/24/43/85/459244385.db2.gz NFPHCPLPZYRWIZ-INIZCTEOSA-N 1 0 333.432 3.461 10 5 EGBERO CN1CC[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000595477451 459316889 /nfs/dbraw/zinc/31/68/89/459316889.db2.gz SZFQQWMODPCUBF-AEFFLSMTSA-N 1 0 329.375 3.269 10 5 EGBERO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000560355609 459330861 /nfs/dbraw/zinc/33/08/61/459330861.db2.gz GACQUVVOUVNXJW-SFHVURJKSA-N 1 0 341.415 3.130 10 5 EGBERO COc1cc(CN2CCO[C@@H](c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000540907981 459401110 /nfs/dbraw/zinc/40/11/10/459401110.db2.gz UESJFCULWHACOX-LJQANCHMSA-N 1 0 342.395 3.485 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595756820 459427619 /nfs/dbraw/zinc/42/76/19/459427619.db2.gz XKHOLFGVDJWYNA-AWEZNQCLSA-N 1 0 337.395 3.303 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595817634 459450805 /nfs/dbraw/zinc/45/08/05/459450805.db2.gz AENIEMGXDWFSMA-MRFVTOPCSA-N 1 0 337.395 3.428 10 5 EGBERO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817729 459451158 /nfs/dbraw/zinc/45/11/58/459451158.db2.gz BSSGOFCXYHEFTQ-HSBZDZAISA-N 1 0 337.395 3.064 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595819300 459452763 /nfs/dbraw/zinc/45/27/63/459452763.db2.gz NSVZIPDLZQJOJL-HSBZDZAISA-N 1 0 337.395 3.348 10 5 EGBERO COc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596079756 459511036 /nfs/dbraw/zinc/51/10/36/459511036.db2.gz WYFPCWYQTXPJJQ-JTQLQIEISA-N 1 0 325.796 3.153 10 5 EGBERO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596125079 459530092 /nfs/dbraw/zinc/53/00/92/459530092.db2.gz ZFCOMOZCHBSZJJ-GFCCVEGCSA-N 1 0 339.823 3.321 10 5 EGBERO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000596231185 459568259 /nfs/dbraw/zinc/56/82/59/459568259.db2.gz HELXCGCCSGNTIO-FOSCPWQOSA-N 1 0 339.823 3.318 10 5 EGBERO CC(C)[N@@H+]1CCCC[C@H]1Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000596290881 459586961 /nfs/dbraw/zinc/58/69/61/459586961.db2.gz FYLWEMYOILQLCJ-INIZCTEOSA-N 1 0 329.400 3.173 10 5 EGBERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000573334044 459662124 /nfs/dbraw/zinc/66/21/24/459662124.db2.gz QSBVQIJVTZZPNF-UHFFFAOYSA-N 1 0 345.424 3.153 10 5 EGBERO C[C@@H]1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)C1O ZINC000597206437 459876408 /nfs/dbraw/zinc/87/64/08/459876408.db2.gz RIKYCTFQDNHBAI-VXGBXAGGSA-N 1 0 347.440 3.167 10 5 EGBERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597232062 459886616 /nfs/dbraw/zinc/88/66/16/459886616.db2.gz OQSJDFSXZRSDTL-MRXNPFEDSA-N 1 0 347.459 3.455 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000608901039 459893947 /nfs/dbraw/zinc/89/39/47/459893947.db2.gz RHHDTRWUSQJGTI-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO CC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535376 459932807 /nfs/dbraw/zinc/93/28/07/459932807.db2.gz DAEJGNAJICQBAP-GXTWGEPZSA-N 1 0 333.432 3.105 10 5 EGBERO C[C@H]1C[NH+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599023034 460129937 /nfs/dbraw/zinc/12/99/37/460129937.db2.gz QHLHPPJYJMSBMS-KBPBESRZSA-N 1 0 344.415 3.054 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000599057640 460144191 /nfs/dbraw/zinc/14/41/91/460144191.db2.gz QXAJKUKRIJPLNP-ACJLOTCBSA-N 1 0 328.368 3.476 10 5 EGBERO Cc1c([C@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cccc1[N+](=O)[O-] ZINC000599073452 460151824 /nfs/dbraw/zinc/15/18/24/460151824.db2.gz DOUJIPPGPWQZHZ-UGSOOPFHSA-N 1 0 339.395 3.381 10 5 EGBERO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598041779 460151953 /nfs/dbraw/zinc/15/19/53/460151953.db2.gz MVCMPBRQLCGLBB-HNNXBMFYSA-N 1 0 347.459 3.449 10 5 EGBERO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000610831088 460245685 /nfs/dbraw/zinc/24/56/85/460245685.db2.gz ZSWSERGQMGUBAX-GFCCVEGCSA-N 1 0 331.347 3.332 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599569911 460276650 /nfs/dbraw/zinc/27/66/50/460276650.db2.gz QRPQVPMAVSYTGQ-SFHVURJKSA-N 1 0 327.384 3.500 10 5 EGBERO C/C=C/C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691026 460311922 /nfs/dbraw/zinc/31/19/22/460311922.db2.gz QEOAIBPUZDWRQS-BWPKMQGJSA-N 1 0 331.416 3.236 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228929 460451307 /nfs/dbraw/zinc/45/13/07/460451307.db2.gz HPUGCABNKFIJJP-OAHLLOKOSA-N 1 0 331.416 3.040 10 5 EGBERO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231002 460452328 /nfs/dbraw/zinc/45/23/28/460452328.db2.gz XZSRHVGULRYDLY-KBXCAEBGSA-N 1 0 345.443 3.222 10 5 EGBERO Cc1cc(C[NH3+])cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601554652 460831313 /nfs/dbraw/zinc/83/13/13/460831313.db2.gz HSGNCZPFJOYXKH-UHFFFAOYSA-N 1 0 339.395 3.422 10 5 EGBERO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000601614647 460846999 /nfs/dbraw/zinc/84/69/99/460846999.db2.gz ZFTRXVRKQBZGON-BPQIPLTHSA-N 1 0 345.443 3.031 10 5 EGBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000601621625 460848945 /nfs/dbraw/zinc/84/89/45/460848945.db2.gz PBHJLVFIGXGRAS-UHFFFAOYSA-N 1 0 343.383 3.226 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601744545 460887957 /nfs/dbraw/zinc/88/79/57/460887957.db2.gz NHVTXLILTZPYCK-UHFFFAOYSA-N 1 0 331.416 3.075 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000601791898 460900146 /nfs/dbraw/zinc/90/01/46/460900146.db2.gz QBNLLLQNEVKDLV-UHFFFAOYSA-N 1 0 344.415 3.023 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000601964723 460964165 /nfs/dbraw/zinc/96/41/65/460964165.db2.gz ROPHUKYRXANYQS-ZDUSSCGKSA-N 1 0 327.384 3.056 10 5 EGBERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174451075 534095022 /nfs/dbraw/zinc/09/50/22/534095022.db2.gz MBTDPCCHPPNYIC-JQWIXIFHSA-N 1 0 340.811 3.195 10 5 EGBERO C[NH+](C)Cc1cccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000341182200 536036984 /nfs/dbraw/zinc/03/69/84/536036984.db2.gz HCZWCTPPTACFNU-UHFFFAOYSA-N 1 0 349.337 3.116 10 5 EGBERO C[NH+](C)CCCCCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000870217996 1295745742 /nfs/dbraw/zinc/74/57/42/1295745742.db2.gz OOAVMZDOMJKQLD-UHFFFAOYSA-N 1 0 334.416 3.292 10 5 EGBERO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871155893 1296246637 /nfs/dbraw/zinc/24/66/37/1296246637.db2.gz GPIDPSLMAPYMFZ-UHFFFAOYSA-N 1 0 333.432 3.275 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036838 1296686855 /nfs/dbraw/zinc/68/68/55/1296686855.db2.gz ZZDFFRCKSSRVKG-AVGNSLFASA-N 1 0 337.395 3.032 10 5 EGBERO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053654 1296703981 /nfs/dbraw/zinc/70/39/81/1296703981.db2.gz WIAVXDVCTRRVTD-MQIPJXDCSA-N 1 0 340.420 3.439 10 5 EGBERO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053985 1296704293 /nfs/dbraw/zinc/70/42/93/1296704293.db2.gz OBDJESDFIWHPSL-RISCZKNCSA-N 1 0 336.338 3.127 10 5 EGBERO C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872082120 1296723695 /nfs/dbraw/zinc/72/36/95/1296723695.db2.gz PSKLOSXNWIMAJG-DJJJIMSYSA-N 1 0 344.386 3.261 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC1 ZINC000872109814 1296735745 /nfs/dbraw/zinc/73/57/45/1296735745.db2.gz SDYIBTVFOWUABU-DFEOGRTESA-N 1 0 330.428 3.463 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC1 ZINC000872109817 1296736530 /nfs/dbraw/zinc/73/65/30/1296736530.db2.gz SDYIBTVFOWUABU-VUHPKUFZSA-N 1 0 330.428 3.463 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000872110378 1296736943 /nfs/dbraw/zinc/73/69/43/1296736943.db2.gz YCGDDEJXGDJSJT-ZOCIIQOWSA-N 1 0 345.443 3.111 10 5 EGBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000882120574 1301838539 /nfs/dbraw/zinc/83/85/39/1301838539.db2.gz XMEQTCJXMXWNCL-GDBMZVCRSA-N 1 0 343.427 3.251 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886615327 1303524858 /nfs/dbraw/zinc/52/48/58/1303524858.db2.gz DFZNHRTXCMAUJH-QEJZJMRPSA-N 1 0 344.333 3.293 10 5 EGBERO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000857931595 1328631963 /nfs/dbraw/zinc/63/19/63/1328631963.db2.gz MRAGEILFQPCABX-QGZVFWFLSA-N 1 0 339.395 3.118 10 5 EGBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559580 1328795561 /nfs/dbraw/zinc/79/55/61/1328795561.db2.gz NCMKJKVTXHIDGJ-LSDHHAIUSA-N 1 0 339.395 3.105 10 5 EGBERO C[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000930236502 1328817919 /nfs/dbraw/zinc/81/79/19/1328817919.db2.gz XIFJZKORMUPXDC-QOKNQOGYSA-N 1 0 344.411 3.120 10 5 EGBERO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@@H+]1C ZINC000859560479 1329017603 /nfs/dbraw/zinc/01/76/03/1329017603.db2.gz HKKSXCWAXTZUOK-DZGCQCFKSA-N 1 0 341.411 3.303 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922806751 1322622553 /nfs/dbraw/zinc/62/25/53/1322622553.db2.gz LJDDJPQVKPNLNY-HAZIXKIPSA-N 1 0 346.427 3.316 10 5 EGBERO COC(=O)/C=C/c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000931379535 1329107356 /nfs/dbraw/zinc/10/73/56/1329107356.db2.gz KLPDPWQRPVOGCG-VQHVLOKHSA-N 1 0 347.415 3.069 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)c2c1 ZINC000926440764 1325555318 /nfs/dbraw/zinc/55/53/18/1325555318.db2.gz SFHPMEZVWGGZBB-KXBFYZLASA-N 1 0 343.427 3.413 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000927014536 1327821171 /nfs/dbraw/zinc/82/11/71/1327821171.db2.gz OGVBPBKPABLAMA-HOCLYGCPSA-N 1 0 334.416 3.282 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927066484 1327838045 /nfs/dbraw/zinc/83/80/45/1327838045.db2.gz LPIOTXROBZLPJH-WRSAYESZSA-N 1 0 334.416 3.459 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000927075592 1327843867 /nfs/dbraw/zinc/84/38/67/1327843867.db2.gz GVONKZABYSSZKX-CRAIPNDOSA-N 1 0 348.443 3.091 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000863294607 1329544229 /nfs/dbraw/zinc/54/42/29/1329544229.db2.gz JYLCGRRYEHGMQP-CABCVRRESA-N 1 0 344.440 3.386 10 5 EGBERO Cc1ccc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)cc1[N+](=O)[O-] ZINC000865670481 1329727711 /nfs/dbraw/zinc/72/77/11/1329727711.db2.gz ZHGWOWHAIAEILE-UHFFFAOYSA-N 1 0 342.395 3.413 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CF)CCOCC1 ZINC000866366964 1330102700 /nfs/dbraw/zinc/10/27/00/1330102700.db2.gz DRHDITWIWCRRMQ-GFCCVEGCSA-N 1 0 328.359 3.021 10 5 EGBERO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001191497342 1367514310 /nfs/dbraw/zinc/51/43/10/1367514310.db2.gz TYUXSTLXHNUYQZ-INIZCTEOSA-N 1 0 342.395 3.429 10 5 EGBERO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC001195111498 1368380099 /nfs/dbraw/zinc/38/00/99/1368380099.db2.gz DACXPIIBNSPDKS-INIZCTEOSA-N 1 0 325.412 3.301 10 5 EGBERO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195509395 1368447784 /nfs/dbraw/zinc/44/77/84/1368447784.db2.gz VQOOENRKPJXRRC-FZMZJTMJSA-N 1 0 337.807 3.451 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001195639712 1368463373 /nfs/dbraw/zinc/46/33/73/1368463373.db2.gz WPAUGEMHTSTPDR-SJORKVTESA-N 1 0 348.443 3.379 10 5 EGBERO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC001196594057 1368644743 /nfs/dbraw/zinc/64/47/43/1368644743.db2.gz HHEQFRJNDQGSIG-SFHVURJKSA-N 1 0 328.416 3.197 10 5 EGBERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001326403326 1388178758 /nfs/dbraw/zinc/17/87/58/1388178758.db2.gz ZDAVQPLVXFKFKS-HZMBPMFUSA-N 1 0 345.237 3.244 10 5 EGBERO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001189060928 1388449949 /nfs/dbraw/zinc/44/99/49/1388449949.db2.gz IWIQJXGHGCJMSN-GASCZTMLSA-N 1 0 328.416 3.436 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001283072673 1378722974 /nfs/dbraw/zinc/72/29/74/1378722974.db2.gz UFUCNSXXGAEHFP-QAQDUYKDSA-N 1 0 345.443 3.326 10 5 EGBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3c[nH+]cn3c2)c1F ZINC001157396931 1380867272 /nfs/dbraw/zinc/86/72/72/1380867272.db2.gz RVKJZGHECSPUHF-UHFFFAOYSA-N 1 0 332.266 3.081 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001294471654 1382462454 /nfs/dbraw/zinc/46/24/54/1382462454.db2.gz BZGVCBFYNXQHRH-XJKSGUPXSA-N 1 0 333.432 3.067 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c[nH+]cn3c2)cc1Cl ZINC001304167680 1383837481 /nfs/dbraw/zinc/83/74/81/1383837481.db2.gz ZHCOSECIFWKNEP-UHFFFAOYSA-N 1 0 330.731 3.457 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+](CC)C(C)C)cc1C ZINC001306956380 1383925532 /nfs/dbraw/zinc/92/55/32/1383925532.db2.gz DLISPVTXDJEYGL-UHFFFAOYSA-N 1 0 337.420 3.222 10 5 EGBERO CCCC[N@H+](C)C[C@H](C)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001307134396 1383943741 /nfs/dbraw/zinc/94/37/41/1383943741.db2.gz NHQXKCCOVNODQI-PLWJUESGSA-N 1 0 349.431 3.313 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC001307962701 1384064251 /nfs/dbraw/zinc/06/42/51/1384064251.db2.gz NNACWVKJQOZOQJ-JTQLQIEISA-N 1 0 325.796 3.165 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001308027678 1384077382 /nfs/dbraw/zinc/07/73/82/1384077382.db2.gz IAJTVOKKEFYUSX-HNNXBMFYSA-N 1 0 335.360 3.084 10 5 EGBERO C[N@H+](CCCNC(=O)C1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001316840036 1384630794 /nfs/dbraw/zinc/63/07/94/1384630794.db2.gz VJLFZIMHQBWIQB-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO C[C@@H](NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001346574444 1390956830 /nfs/dbraw/zinc/95/68/30/1390956830.db2.gz UEBZISAJCKUHBS-CYBMUJFWSA-N 1 0 348.447 3.218 10 5 EGBERO CC[N@H+](CCNC(=O)c1cc(C)c(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001691013941 1404928694 /nfs/dbraw/zinc/92/86/94/1404928694.db2.gz DRXVUIFRJVKXNR-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CCc1ccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001691585283 1405346644 /nfs/dbraw/zinc/34/66/44/1405346644.db2.gz PUHLUVDWEUFSPN-UHFFFAOYSA-N 1 0 347.440 3.081 10 5 EGBERO CCC(=CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)CC ZINC001700129898 1413545912 /nfs/dbraw/zinc/54/59/12/1413545912.db2.gz IVPNRQVKTASZCQ-UHFFFAOYSA-N 1 0 345.443 3.470 10 5 EGBERO CCC(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001713171341 1417744770 /nfs/dbraw/zinc/74/47/70/1417744770.db2.gz IFZIIWCAKSKGOD-WKILWMFISA-N 1 0 333.432 3.158 10 5 EGBERO O=C(CC1CCCC1)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001713553540 1418341568 /nfs/dbraw/zinc/34/15/68/1418341568.db2.gz YZBBPAUAARDTSB-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCC2(CC2)CC1 ZINC001713615294 1418395240 /nfs/dbraw/zinc/39/52/40/1418395240.db2.gz LZCMLDSZAZVOGI-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCC[N@H+](CCNC(=O)c1ccoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001714648463 1419425395 /nfs/dbraw/zinc/42/53/95/1419425395.db2.gz UPJLMRCURIRUIB-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO O=C(C=C1CCCCC1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001716275609 1420591035 /nfs/dbraw/zinc/59/10/35/1420591035.db2.gz XLSYSPSPXJAQLU-SNAWJCMRSA-N 1 0 343.427 3.247 10 5 EGBERO C/C=C(/C)C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723996889 1424620599 /nfs/dbraw/zinc/62/05/99/1424620599.db2.gz BIPJYPGFNSMLLH-CPSFFCFKSA-N 1 0 331.416 3.032 10 5 EGBERO CC[N@H+](CCCNC(=O)C=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001731306130 1427247754 /nfs/dbraw/zinc/24/77/54/1427247754.db2.gz UOJQPLRDZOZING-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CC(C)CCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001731345049 1427283376 /nfs/dbraw/zinc/28/33/76/1427283376.db2.gz YVWUIWWRJCRANG-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101914358 219172894 /nfs/dbraw/zinc/17/28/94/219172894.db2.gz FCIKIPVAWXQHSQ-LSDHHAIUSA-N 1 0 333.432 3.284 10 5 EGBERO [NH3+][C@H](c1cncc(Br)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000040176651 213279965 /nfs/dbraw/zinc/27/99/65/213279965.db2.gz VNYUHUZQUYPIFY-LBPRGKRZSA-N 1 0 342.580 3.454 10 5 EGBERO CCC[C@@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000036160401 213074817 /nfs/dbraw/zinc/07/48/17/213074817.db2.gz UIJZZNZPDFGOHM-HUUCEWRRSA-N 1 0 348.403 3.093 10 5 EGBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000072273087 216097185 /nfs/dbraw/zinc/09/71/85/216097185.db2.gz CHHZMKCKBVIJDC-UHFFFAOYSA-N 1 0 335.448 3.343 10 5 EGBERO CC(C)C[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000024990514 212452273 /nfs/dbraw/zinc/45/22/73/212452273.db2.gz BMQZLUWBELIYIB-CQSZACIVSA-N 1 0 334.420 3.227 10 5 EGBERO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000378527718 169136374 /nfs/dbraw/zinc/13/63/74/169136374.db2.gz WNHOUTVGISSZNX-UHFFFAOYSA-N 1 0 337.379 3.254 10 5 EGBERO C[C@H](O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092969961 218184388 /nfs/dbraw/zinc/18/43/88/218184388.db2.gz BMZOFIXAXSTIMM-ZDUSSCGKSA-N 1 0 330.384 3.448 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC[C@H]3CO)cs2)c1 ZINC000152334602 223945242 /nfs/dbraw/zinc/94/52/42/223945242.db2.gz UJGICVMWOHHFPB-BBRMVZONSA-N 1 0 347.440 3.359 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181746450 533400583 /nfs/dbraw/zinc/40/05/83/533400583.db2.gz WGGZTDZZDNCITH-CYBMUJFWSA-N 1 0 344.367 3.096 10 5 EGBERO CCC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163378326 143979168 /nfs/dbraw/zinc/97/91/68/143979168.db2.gz MXEFAXYUCSALIT-ROUUACIJSA-N 1 0 335.448 3.136 10 5 EGBERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000178652112 144073666 /nfs/dbraw/zinc/07/36/66/144073666.db2.gz CYKWNZDCRRIGEI-LBPRGKRZSA-N 1 0 333.413 3.127 10 5 EGBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186552480 144136923 /nfs/dbraw/zinc/13/69/23/144136923.db2.gz JVWUBGSIGBTNNS-GFCCVEGCSA-N 1 0 345.424 3.166 10 5 EGBERO CSc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188135106 144169313 /nfs/dbraw/zinc/16/93/13/144169313.db2.gz ZKZSMIXVULEVHZ-UHFFFAOYSA-N 1 0 349.456 3.017 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000363826974 144369232 /nfs/dbraw/zinc/36/92/32/144369232.db2.gz TYHWTOOPWCUROT-AWEZNQCLSA-N 1 0 345.374 3.202 10 5 EGBERO COc1cc(NCc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])cc1F ZINC000341529398 155336616 /nfs/dbraw/zinc/33/66/16/155336616.db2.gz JCZCBJDEBXIHBZ-UHFFFAOYSA-N 1 0 347.390 3.459 10 5 EGBERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000310031601 154139712 /nfs/dbraw/zinc/13/97/12/154139712.db2.gz WXRQGMZMWZRSCY-UHFFFAOYSA-N 1 0 347.802 3.239 10 5 EGBERO O=[N+]([O-])c1cnccc1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000340150333 155114946 /nfs/dbraw/zinc/11/49/46/155114946.db2.gz IAJQYAIPJPOIER-MRXNPFEDSA-N 1 0 346.818 3.314 10 5 EGBERO O=[N+]([O-])c1cnccc1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000340155912 155116624 /nfs/dbraw/zinc/11/66/24/155116624.db2.gz SFXARLQJLVOTHN-UHFFFAOYSA-N 1 0 340.427 3.400 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000341051339 155129946 /nfs/dbraw/zinc/12/99/46/155129946.db2.gz DTEFJUWZOFFRBT-STQMWFEESA-N 1 0 344.415 3.069 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358246006 156769549 /nfs/dbraw/zinc/76/95/49/156769549.db2.gz CRILTVWSTKJDLB-CQSZACIVSA-N 1 0 340.427 3.416 10 5 EGBERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368864789 157310558 /nfs/dbraw/zinc/31/05/58/157310558.db2.gz BIHUSRWBDQLPEF-QGZVFWFLSA-N 1 0 345.399 3.033 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076483984 161723487 /nfs/dbraw/zinc/72/34/87/161723487.db2.gz JIBMCQITKGOEJH-IAQYHMDHSA-N 1 0 339.823 3.051 10 5 EGBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000338312724 163208607 /nfs/dbraw/zinc/20/86/07/163208607.db2.gz BSWUFNOXBZNBLO-UHFFFAOYSA-N 1 0 347.459 3.108 10 5 EGBERO CC1(C2CC2)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000352187531 165275251 /nfs/dbraw/zinc/27/52/51/165275251.db2.gz CLBKUMFTXOQCCX-QGZVFWFLSA-N 1 0 343.427 3.212 10 5 EGBERO COc1ccccc1CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352423523 165394458 /nfs/dbraw/zinc/39/44/58/165394458.db2.gz BFIUJBTVJLVKLU-UHFFFAOYSA-N 1 0 330.384 3.287 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000359084996 167062618 /nfs/dbraw/zinc/06/26/18/167062618.db2.gz SGYKYRPXUFWJBZ-MRXNPFEDSA-N 1 0 328.416 3.191 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000132204899 533682526 /nfs/dbraw/zinc/68/25/26/533682526.db2.gz WCXBDWVLUSVBFX-YJBOKZPZSA-N 1 0 328.412 3.109 10 5 EGBERO CC[C@@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000175774138 265135852 /nfs/dbraw/zinc/13/58/52/265135852.db2.gz PDCGBGJPSIPVQV-CZUORRHYSA-N 1 0 336.436 3.075 10 5 EGBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277886831 267893149 /nfs/dbraw/zinc/89/31/49/267893149.db2.gz CZQFTNOLARPOBT-ZDUSSCGKSA-N 1 0 339.823 3.161 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278412145 268007676 /nfs/dbraw/zinc/00/76/76/268007676.db2.gz QDZSMNNBFHKUPY-GXTWGEPZSA-N 1 0 332.322 3.038 10 5 EGBERO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000360049273 274182204 /nfs/dbraw/zinc/18/22/04/274182204.db2.gz CJJRXCXQKCFPAQ-JKSUJKDBSA-N 1 0 339.436 3.058 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000185407400 275215231 /nfs/dbraw/zinc/21/52/31/275215231.db2.gz AFTWOOMMCTXBNA-KYJSFNMBSA-N 1 0 347.459 3.105 10 5 EGBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279772066 275358247 /nfs/dbraw/zinc/35/82/47/275358247.db2.gz SKRPUUSTXRLHQQ-ZFWWWQNUSA-N 1 0 349.431 3.330 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360918103 277001597 /nfs/dbraw/zinc/00/15/97/277001597.db2.gz IFUPRWYFRWUNHN-WMLDXEAASA-N 1 0 341.411 3.431 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000162518228 307913697 /nfs/dbraw/zinc/91/36/97/307913697.db2.gz KEXDHSSFWXLCGU-CABCVRRESA-N 1 0 349.431 3.346 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C(F)(F)F ZINC000349331543 308884287 /nfs/dbraw/zinc/88/42/87/308884287.db2.gz LNQNGSOCRXKPCF-LNSITVRQSA-N 1 0 346.349 3.209 10 5 EGBERO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000413273531 309024624 /nfs/dbraw/zinc/02/46/24/309024624.db2.gz VMCHRBCBKYOMCQ-UHFFFAOYSA-N 1 0 344.337 3.437 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415702742 309141326 /nfs/dbraw/zinc/14/13/26/309141326.db2.gz PSIQBICFMIUMJM-UHFFFAOYSA-N 1 0 334.420 3.095 10 5 EGBERO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415704563 309141470 /nfs/dbraw/zinc/14/14/70/309141470.db2.gz SFKMNFUSSGCHQO-NEPJUHHUSA-N 1 0 334.420 3.106 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000421486236 309326789 /nfs/dbraw/zinc/32/67/89/309326789.db2.gz WZHLOVFMIXJUSD-GOEBONIOSA-N 1 0 333.432 3.014 10 5 EGBERO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421848850 309343258 /nfs/dbraw/zinc/34/32/58/309343258.db2.gz BBBQTXKCZANJAU-DDUZABMNSA-N 1 0 345.443 3.244 10 5 EGBERO C[C@@]12C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448565 310062779 /nfs/dbraw/zinc/06/27/79/310062779.db2.gz IFLQXCYFPAABKQ-BEQMWEJSSA-N 1 0 342.395 3.105 10 5 EGBERO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000449530914 310069673 /nfs/dbraw/zinc/06/96/73/310069673.db2.gz BYNGYAVZSQDKCC-SJLPKXTDSA-N 1 0 327.384 3.308 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449674597 310079907 /nfs/dbraw/zinc/07/99/07/310079907.db2.gz VQWVGKJFXRBBCI-WFASDCNBSA-N 1 0 346.349 3.463 10 5 EGBERO O=[N+]([O-])c1ccc2c(ccnc2N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000450254609 310111380 /nfs/dbraw/zinc/11/13/80/310111380.db2.gz VFNLXVWVXOJTNV-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCCC2 ZINC000450962671 310152308 /nfs/dbraw/zinc/15/23/08/310152308.db2.gz CIDGFQJYJNCHMP-DLBZAZTESA-N 1 0 334.416 3.431 10 5 EGBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451239897 310167203 /nfs/dbraw/zinc/16/72/03/310167203.db2.gz XLHJQXRIOZFPFM-ABAIWWIYSA-N 1 0 342.342 3.085 10 5 EGBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376940 310175092 /nfs/dbraw/zinc/17/50/92/310175092.db2.gz WNHLRYMMMLMJAE-ZXOCMBNGSA-N 1 0 341.411 3.066 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)c1ccccc1 ZINC000468748403 310692990 /nfs/dbraw/zinc/69/29/90/310692990.db2.gz QMJCIOKCSCAUSE-KAPURRDVSA-N 1 0 326.396 3.364 10 5 EGBERO CCC[NH+]1CCC(CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488087776 311050906 /nfs/dbraw/zinc/05/09/06/311050906.db2.gz LNTCFPSNDHGOOO-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000489070258 311091604 /nfs/dbraw/zinc/09/16/04/311091604.db2.gz HMAIIPRYBXDICN-UHFFFAOYSA-N 1 0 331.338 3.053 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000510852125 312149663 /nfs/dbraw/zinc/14/96/63/312149663.db2.gz VBDZLHCARCXTRY-HUUCEWRRSA-N 1 0 347.459 3.391 10 5 EGBERO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000540398196 314378291 /nfs/dbraw/zinc/37/82/91/314378291.db2.gz OCZRDDDWFWZPGY-AWEZNQCLSA-N 1 0 348.447 3.220 10 5 EGBERO O=C(CC[NH2+][C@H]1C[C@@H]1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000567605782 316642452 /nfs/dbraw/zinc/64/24/52/316642452.db2.gz FBQNVXSDYZNWEO-ZBFHGGJFSA-N 1 0 331.416 3.482 10 5 EGBERO Cc1cc(N2CCO[C@@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000569924458 316982991 /nfs/dbraw/zinc/98/29/91/316982991.db2.gz XZODLXMLLAUVOW-KRWDZBQOSA-N 1 0 345.424 3.164 10 5 EGBERO Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571462384 317203072 /nfs/dbraw/zinc/20/30/72/317203072.db2.gz SKXOTURMNNATAP-INIZCTEOSA-N 1 0 339.395 3.427 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc4c[nH]nc4c3)c2c1 ZINC000577675909 324845733 /nfs/dbraw/zinc/84/57/33/324845733.db2.gz KXVCHZXBJBEOEL-UHFFFAOYSA-N 1 0 335.367 3.285 10 5 EGBERO CCO[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C ZINC000580623746 325274726 /nfs/dbraw/zinc/27/47/26/325274726.db2.gz GCTHUKPQVYNEKZ-SJORKVTESA-N 1 0 331.416 3.412 10 5 EGBERO CCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183267320 455265618 /nfs/dbraw/zinc/26/56/18/455265618.db2.gz GAHWCUYGHZXLFX-UHFFFAOYSA-N 1 0 333.432 3.032 10 5 EGBERO Cc1sc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085091 453996241 /nfs/dbraw/zinc/99/62/41/453996241.db2.gz POBXKOOKXLEZDA-LBPRGKRZSA-N 1 0 339.461 3.207 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046375490 454246537 /nfs/dbraw/zinc/24/65/37/454246537.db2.gz ABTGXLVOZDVRSW-LLVKDONJSA-N 1 0 340.811 3.244 10 5 EGBERO CC[C@H]([NH2+][C@H](C)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090068596 454271298 /nfs/dbraw/zinc/27/12/98/454271298.db2.gz BMIUOOIVNVVYFV-DYVFJYSZSA-N 1 0 333.432 3.473 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000120371694 454293214 /nfs/dbraw/zinc/29/32/14/454293214.db2.gz IITXREHZIAVSSW-CZUORRHYSA-N 1 0 334.420 3.097 10 5 EGBERO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000120613659 454325273 /nfs/dbraw/zinc/32/52/73/454325273.db2.gz UDAYJLZJUHGHJN-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO O=[N+]([O-])c1cc(CN2CC[NH+](CCc3cccs3)CC2)cs1 ZINC000064352776 454475408 /nfs/dbraw/zinc/47/54/08/454475408.db2.gz VHEYDUBKUMRKQH-UHFFFAOYSA-N 1 0 337.470 3.078 10 5 EGBERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000102698970 454517165 /nfs/dbraw/zinc/51/71/65/454517165.db2.gz IIQUTFRFBBIMIJ-LLVKDONJSA-N 1 0 347.346 3.032 10 5 EGBERO Cc1sc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000065523578 454584308 /nfs/dbraw/zinc/58/43/08/454584308.db2.gz REZZOVGJEFWVBZ-UHFFFAOYSA-N 1 0 333.413 3.321 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000065621566 454606295 /nfs/dbraw/zinc/60/62/95/454606295.db2.gz GWKOXDHIJWEPHT-UHFFFAOYSA-N 1 0 337.383 3.017 10 5 EGBERO Cc1sc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107531070 454761649 /nfs/dbraw/zinc/76/16/49/454761649.db2.gz KGFXIUARAHTHTE-CYBMUJFWSA-N 1 0 337.445 3.055 10 5 EGBERO Cc1cccc(NC(=O)[C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153204289 454770531 /nfs/dbraw/zinc/77/05/31/454770531.db2.gz SPBLNNPNLRLOFD-CQSZACIVSA-N 1 0 339.395 3.289 10 5 EGBERO C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000125648798 454837040 /nfs/dbraw/zinc/83/70/40/454837040.db2.gz ICGSKPDHDIQCQS-XHDPSFHLSA-N 1 0 348.790 3.168 10 5 EGBERO CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180074889 455127931 /nfs/dbraw/zinc/12/79/31/455127931.db2.gz AGCBYKCSJLPOQF-IBGZPJMESA-N 1 0 341.411 3.189 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000183333381 455278529 /nfs/dbraw/zinc/27/85/29/455278529.db2.gz QQSQYJBMXWBCOB-UHFFFAOYSA-N 1 0 328.416 3.091 10 5 EGBERO Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000265322894 455305165 /nfs/dbraw/zinc/30/51/65/455305165.db2.gz RAAULAAGTKCXIA-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(CO)CCC2)c2ccccc2)c1 ZINC000184522582 455395574 /nfs/dbraw/zinc/39/55/74/455395574.db2.gz OJLOHZUUPNJTHC-GOSISDBHSA-N 1 0 326.396 3.436 10 5 EGBERO CN(C)c1ncccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192666592 455664293 /nfs/dbraw/zinc/66/42/93/455664293.db2.gz STFAGFPCQVBMGM-QGZVFWFLSA-N 1 0 326.400 3.223 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216162150 456028175 /nfs/dbraw/zinc/02/81/75/456028175.db2.gz GNIMWMJQZXQFBB-AWEZNQCLSA-N 1 0 327.384 3.444 10 5 EGBERO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301357858 456098198 /nfs/dbraw/zinc/09/81/98/456098198.db2.gz KZXKLVIDBQQADW-LLVKDONJSA-N 1 0 329.347 3.483 10 5 EGBERO CC1CC[NH+](C[C@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601110087 460714666 /nfs/dbraw/zinc/71/46/66/460714666.db2.gz YWWROJMWOROADH-CQSZACIVSA-N 1 0 336.411 3.077 10 5 EGBERO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769467 456290529 /nfs/dbraw/zinc/29/05/29/456290529.db2.gz MQXWJKGDQQAJDC-KRWDZBQOSA-N 1 0 344.411 3.377 10 5 EGBERO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783297 456303090 /nfs/dbraw/zinc/30/30/90/456303090.db2.gz JESIROPQXCHWLJ-DOTOQJQBSA-N 1 0 345.443 3.052 10 5 EGBERO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340274086 456355249 /nfs/dbraw/zinc/35/52/49/456355249.db2.gz ANUANRQTZYNQSD-SFHVURJKSA-N 1 0 325.412 3.301 10 5 EGBERO C[C@@](CO)([NH2+]Cc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601148417 460730943 /nfs/dbraw/zinc/73/09/43/460730943.db2.gz BMDBLNMHJTXXEB-IBGZPJMESA-N 1 0 326.396 3.470 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343259952 456490587 /nfs/dbraw/zinc/49/05/87/456490587.db2.gz DACDETPLSOLOLQ-SFHVURJKSA-N 1 0 339.395 3.222 10 5 EGBERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226675 456549558 /nfs/dbraw/zinc/54/95/58/456549558.db2.gz IBHMTHZXEODMPT-GXFFZTMASA-N 1 0 345.321 3.196 10 5 EGBERO CCOc1cc(C[NH2+][C@@H](COC)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276892419 456612411 /nfs/dbraw/zinc/61/24/11/456612411.db2.gz KIKZRBCKUOPVCW-INIZCTEOSA-N 1 0 330.384 3.471 10 5 EGBERO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000342340123 457245922 /nfs/dbraw/zinc/24/59/22/457245922.db2.gz PHYDVMFTNKTUPF-HNNXBMFYSA-N 1 0 334.347 3.090 10 5 EGBERO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722884 457479071 /nfs/dbraw/zinc/47/90/71/457479071.db2.gz DQWIVUFIZQYWDJ-GJZGRUSLSA-N 1 0 349.431 3.060 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000364866387 457708573 /nfs/dbraw/zinc/70/85/73/457708573.db2.gz XATWJTSNRCTVOE-KBRIMQKVSA-N 1 0 334.416 3.288 10 5 EGBERO CC[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000361863143 457914786 /nfs/dbraw/zinc/91/47/86/457914786.db2.gz TYMOEPROOAYTCF-MRXNPFEDSA-N 1 0 328.372 3.059 10 5 EGBERO COc1ccc(OCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000444701845 457947525 /nfs/dbraw/zinc/94/75/25/457947525.db2.gz WWWCVODCRHIDAF-NSHDSACASA-N 1 0 348.321 3.257 10 5 EGBERO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC(C)(C)C1 ZINC000412030877 458054598 /nfs/dbraw/zinc/05/45/98/458054598.db2.gz FJPPXBDSCZKXAI-UHFFFAOYSA-N 1 0 335.404 3.052 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000373333451 458463411 /nfs/dbraw/zinc/46/34/11/458463411.db2.gz LIADVSDOMSABPQ-GOOCMWNKSA-N 1 0 346.431 3.348 10 5 EGBERO COc1cccc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000468510096 458523305 /nfs/dbraw/zinc/52/33/05/458523305.db2.gz JVBKMVOGRLIHHK-CQSZACIVSA-N 1 0 329.400 3.152 10 5 EGBERO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464579911 458760581 /nfs/dbraw/zinc/76/05/81/458760581.db2.gz DKJRJKXUWPLONI-HNNXBMFYSA-N 1 0 334.416 3.191 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)n1 ZINC000432939685 458817280 /nfs/dbraw/zinc/81/72/80/458817280.db2.gz RTLRCXAPXVSJIG-AWEZNQCLSA-N 1 0 328.372 3.427 10 5 EGBERO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000594510288 459069574 /nfs/dbraw/zinc/06/95/74/459069574.db2.gz BLKRJXMJEYWROQ-UHFFFAOYSA-N 1 0 328.416 3.240 10 5 EGBERO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000594518193 459076004 /nfs/dbraw/zinc/07/60/04/459076004.db2.gz JDVAZHOSYSWBIO-AJNGGQMLSA-N 1 0 336.436 3.211 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000594739142 459147802 /nfs/dbraw/zinc/14/78/02/459147802.db2.gz LLXDRKNFVHHWFR-MEDHRJKHSA-N 1 0 339.395 3.381 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000594739143 459147815 /nfs/dbraw/zinc/14/78/15/459147815.db2.gz LLXDRKNFVHHWFR-SIEMBAAWSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@H]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)O1 ZINC000594987041 459206982 /nfs/dbraw/zinc/20/69/82/459206982.db2.gz VOYQBTFGCFXFJZ-SUMWQHHRSA-N 1 0 344.415 3.043 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCO[C@@H]1CC1(F)F)CCCC2 ZINC000595069049 459235928 /nfs/dbraw/zinc/23/59/28/459235928.db2.gz NISKLEUCNBUZDF-HUUCEWRRSA-N 1 0 326.343 3.376 10 5 EGBERO Cc1c([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000595094006 459243088 /nfs/dbraw/zinc/24/30/88/459243088.db2.gz RUSJARCNMQEAEO-LBPRGKRZSA-N 1 0 328.359 3.494 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000595110012 459247723 /nfs/dbraw/zinc/24/77/23/459247723.db2.gz YSPGRMJIUUGJMC-DZKIICNBSA-N 1 0 328.416 3.390 10 5 EGBERO CC[C@@H]([NH2+]CCc1nc(C(C)=O)c(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000595422376 459295904 /nfs/dbraw/zinc/29/59/04/459295904.db2.gz WWDLPMZMVQTKNF-OAHLLOKOSA-N 1 0 330.388 3.112 10 5 EGBERO C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000582539418 459381553 /nfs/dbraw/zinc/38/15/53/459381553.db2.gz SZGVMTJLYXWKQQ-ZNMIVQPWSA-N 1 0 333.432 3.077 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000484648548 459425033 /nfs/dbraw/zinc/42/50/33/459425033.db2.gz JNMAYZMFMVBONC-ROUUACIJSA-N 1 0 341.411 3.073 10 5 EGBERO CCc1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000561381998 459447887 /nfs/dbraw/zinc/44/78/87/459447887.db2.gz LFVTWNZQMKIRJF-UHFFFAOYSA-N 1 0 330.413 3.427 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCC1CC1)CC1CC1 ZINC000595871003 459468084 /nfs/dbraw/zinc/46/80/84/459468084.db2.gz JBTPPZVERKRIAU-UHFFFAOYSA-N 1 0 331.416 3.354 10 5 EGBERO COCC1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCCC1 ZINC000595909504 459483053 /nfs/dbraw/zinc/48/30/53/459483053.db2.gz PJIDZIKYWAMPSG-UHFFFAOYSA-N 1 0 326.368 3.181 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000561883424 459489549 /nfs/dbraw/zinc/48/95/49/459489549.db2.gz WHFBIXIOIUUQOQ-OAHLLOKOSA-N 1 0 333.363 3.457 10 5 EGBERO COc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596208223 459560441 /nfs/dbraw/zinc/56/04/41/459560441.db2.gz IQLANLODHGWIRT-LLVKDONJSA-N 1 0 327.812 3.177 10 5 EGBERO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592380355 459587232 /nfs/dbraw/zinc/58/72/32/459587232.db2.gz SNIMAOYPXHYTQW-IIAWOOMASA-N 1 0 326.400 3.274 10 5 EGBERO COC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000573284060 459653027 /nfs/dbraw/zinc/65/30/27/459653027.db2.gz KPNGLKXRYJLWGA-GOSISDBHSA-N 1 0 331.416 3.413 10 5 EGBERO COC(=O)C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000596491323 459655136 /nfs/dbraw/zinc/65/51/36/459655136.db2.gz GIJXYDIQRCIQKU-ZDUSSCGKSA-N 1 0 329.356 3.144 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cccc1[N+](=O)[O-] ZINC000593725620 459965668 /nfs/dbraw/zinc/96/56/68/459965668.db2.gz SSOIFGKIYNTDKX-CZUORRHYSA-N 1 0 341.411 3.330 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000597630541 460012446 /nfs/dbraw/zinc/01/24/46/460012446.db2.gz DJNHCKQLTRQONS-LLVKDONJSA-N 1 0 342.399 3.359 10 5 EGBERO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCCO1 ZINC000594042395 460070428 /nfs/dbraw/zinc/07/04/28/460070428.db2.gz ITXABUFDRAGWET-GJZGRUSLSA-N 1 0 346.387 3.082 10 5 EGBERO C[N@@H+]1CCCC12CCN(c1ccc3cnccc3c1[N+](=O)[O-])CC2 ZINC000599062183 460146183 /nfs/dbraw/zinc/14/61/83/460146183.db2.gz KAMVINJDKIUYQK-UHFFFAOYSA-N 1 0 326.400 3.208 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000599073437 460151573 /nfs/dbraw/zinc/15/15/73/460151573.db2.gz CYHJJPHTXOXFKL-UGSOOPFHSA-N 1 0 339.395 3.381 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599083989 460154900 /nfs/dbraw/zinc/15/49/00/460154900.db2.gz POBODIFOKUCKQZ-ZUMXRPEOSA-N 1 0 331.416 3.338 10 5 EGBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCCC(F)(F)C1)OCCO2 ZINC000610860120 460249933 /nfs/dbraw/zinc/24/99/33/460249933.db2.gz VIOCMLBUPWCAMC-NSHDSACASA-N 1 0 328.315 3.034 10 5 EGBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599626499 460291376 /nfs/dbraw/zinc/29/13/76/460291376.db2.gz XAKDJYVFHGLTMM-RZGXBDKHSA-N 1 0 343.221 3.259 10 5 EGBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC4(CC4)CC3)o2)cc1 ZINC000599672923 460305924 /nfs/dbraw/zinc/30/59/24/460305924.db2.gz KABUTKGTSSAXFN-UHFFFAOYSA-N 1 0 328.372 3.411 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599787217 460333636 /nfs/dbraw/zinc/33/36/36/460333636.db2.gz QJHIFKIGZZTVFH-INIZCTEOSA-N 1 0 346.431 3.296 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000611517018 460384493 /nfs/dbraw/zinc/38/44/93/460384493.db2.gz BLYMBWHUJJFSJJ-HOCLYGCPSA-N 1 0 334.416 3.242 10 5 EGBERO Cc1cc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000604448353 460428916 /nfs/dbraw/zinc/42/89/16/460428916.db2.gz RMUQIJPZCCRHKA-UHFFFAOYSA-N 1 0 340.427 3.237 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000600229899 460449983 /nfs/dbraw/zinc/44/99/83/460449983.db2.gz WXLJCHJHXOASLI-OAHLLOKOSA-N 1 0 331.416 3.040 10 5 EGBERO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229939 460451452 /nfs/dbraw/zinc/45/14/52/460451452.db2.gz YFEXKZPHWXAVFB-MRXNPFEDSA-N 1 0 331.416 3.040 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000601745850 460888229 /nfs/dbraw/zinc/88/82/29/460888229.db2.gz ZYXCVRCGYVBXJZ-UHFFFAOYSA-N 1 0 345.443 3.384 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972711 460967609 /nfs/dbraw/zinc/96/76/09/460967609.db2.gz NLCULUPWMDFSCU-HMVFGEFZSA-N 1 0 326.343 3.354 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccccc1O)C1CC1 ZINC000154921424 534887535 /nfs/dbraw/zinc/88/75/35/534887535.db2.gz RIKJZQHBSNIUGY-KRWDZBQOSA-N 1 0 326.396 3.454 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191334721 527826100 /nfs/dbraw/zinc/82/61/00/527826100.db2.gz QLCWQNLGJMBRIG-ZBFHGGJFSA-N 1 0 348.447 3.406 10 5 EGBERO CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)OCCCO1 ZINC000192250374 527980998 /nfs/dbraw/zinc/98/09/98/527980998.db2.gz BAGWNMQQRWGQNW-UHFFFAOYSA-N 1 0 332.356 3.098 10 5 EGBERO CC[NH+]1CCC(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174123327 528965600 /nfs/dbraw/zinc/96/56/00/528965600.db2.gz BZKPCUHHTBULDC-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO CO[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000344791949 536553100 /nfs/dbraw/zinc/55/31/00/536553100.db2.gz JYQVLLPEDWENBQ-LLVKDONJSA-N 1 0 326.702 3.305 10 5 EGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000245572927 536166847 /nfs/dbraw/zinc/16/68/47/536166847.db2.gz CRSXDXBOQJHGQA-GJZGRUSLSA-N 1 0 346.431 3.302 10 5 EGBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000870553162 1295938285 /nfs/dbraw/zinc/93/82/85/1295938285.db2.gz HVRVVQWCLVFELK-CQSZACIVSA-N 1 0 338.407 3.178 10 5 EGBERO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000872020700 1296664031 /nfs/dbraw/zinc/66/40/31/1296664031.db2.gz JJORWMZHYABKDK-GWCFXTLKSA-N 1 0 330.363 3.040 10 5 EGBERO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029990 1296676534 /nfs/dbraw/zinc/67/65/34/1296676534.db2.gz XFQWDDRAITXPHD-SNVBAGLBSA-N 1 0 331.338 3.114 10 5 EGBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037864 1296690508 /nfs/dbraw/zinc/69/05/08/1296690508.db2.gz GCEPQBOIZHYYTC-JQWIXIFHSA-N 1 0 334.395 3.366 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077737 1296721659 /nfs/dbraw/zinc/72/16/59/1296721659.db2.gz AIBUAQBMCLWMBE-YPMHNXCESA-N 1 0 336.338 3.300 10 5 EGBERO COC[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872085579 1296725808 /nfs/dbraw/zinc/72/58/08/1296725808.db2.gz PJCKUXMKLAPSHO-AAEUAGOBSA-N 1 0 328.434 3.019 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000872230715 1296833343 /nfs/dbraw/zinc/83/33/43/1296833343.db2.gz HVMLKERAORRAFR-CFVMTHIKSA-N 1 0 344.333 3.363 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCN2C2CCCCCC2)c1 ZINC000872236974 1296837646 /nfs/dbraw/zinc/83/76/46/1296837646.db2.gz XZVVDFRPFWKQLR-RTBURBONSA-N 1 0 347.459 3.015 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[C@@H]3CCCC3(F)F)C2)nc1 ZINC000878251857 1299865350 /nfs/dbraw/zinc/86/53/50/1299865350.db2.gz UVSDRQBLMSQTIZ-STQMWFEESA-N 1 0 340.374 3.302 10 5 EGBERO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886302764 1303428173 /nfs/dbraw/zinc/42/81/73/1303428173.db2.gz VZOORISLPATIPR-MRXNPFEDSA-N 1 0 334.416 3.050 10 5 EGBERO CC(C)c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895721637 1309489963 /nfs/dbraw/zinc/48/99/63/1309489963.db2.gz DURXVQFTWCYQDO-MRXNPFEDSA-N 1 0 348.443 3.082 10 5 EGBERO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000857929992 1328630924 /nfs/dbraw/zinc/63/09/24/1328630924.db2.gz BNWKYWIUABJXMN-HNNXBMFYSA-N 1 0 339.395 3.118 10 5 EGBERO Cc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)nn1 ZINC000929747563 1328685261 /nfs/dbraw/zinc/68/52/61/1328685261.db2.gz DFOFAPOKHPXOEV-UHFFFAOYSA-N 1 0 342.399 3.045 10 5 EGBERO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000930158974 1328801329 /nfs/dbraw/zinc/80/13/29/1328801329.db2.gz BLKDRYBPASINRM-UHFFFAOYSA-N 1 0 342.827 3.300 10 5 EGBERO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859221881 1328950078 /nfs/dbraw/zinc/95/00/78/1328950078.db2.gz NOYNIGWQBCQKKQ-UHFFFAOYSA-N 1 0 329.400 3.162 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N)ccn1 ZINC000925772237 1325293909 /nfs/dbraw/zinc/29/39/09/1325293909.db2.gz RBQFNHUSLXYCQR-CYBMUJFWSA-N 1 0 332.429 3.233 10 5 EGBERO CCC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926955271 1327794980 /nfs/dbraw/zinc/79/49/80/1327794980.db2.gz ZROMWCYIVKUSQQ-HNNXBMFYSA-N 1 0 342.461 3.096 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000927012476 1327820269 /nfs/dbraw/zinc/82/02/69/1327820269.db2.gz HUNGFDBCUHXWQT-DOTOQJQBSA-N 1 0 348.443 3.234 10 5 EGBERO CC1(C)O[C@@H]2C[C@@H]([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)C[C@@H]2O1 ZINC000927058644 1327833955 /nfs/dbraw/zinc/83/39/55/1327833955.db2.gz RWNCQKAHYPTXRJ-UOVPBQLFSA-N 1 0 346.427 3.188 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928011775 1328170798 /nfs/dbraw/zinc/17/07/98/1328170798.db2.gz GNKGVMFZYZBHEB-UHFFFAOYSA-N 1 0 345.443 3.430 10 5 EGBERO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861417444 1329417691 /nfs/dbraw/zinc/41/76/91/1329417691.db2.gz YZTKWPGTZSDION-UHFFFAOYSA-N 1 0 339.395 3.106 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCc3ccccc3CC2)cc1 ZINC000863564239 1329563377 /nfs/dbraw/zinc/56/33/77/1329563377.db2.gz UZKNTGJFOBOLFF-FQEVSTJZSA-N 1 0 340.423 3.413 10 5 EGBERO Cc1cc(NCc2nn(C)cc2C(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866194577 1330076747 /nfs/dbraw/zinc/07/67/47/1330076747.db2.gz YWWMPWJVSLTWFD-UHFFFAOYSA-N 1 0 347.325 3.157 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cnc(C2CC2)nc1 ZINC000866309717 1330094064 /nfs/dbraw/zinc/09/40/64/1330094064.db2.gz JNCAASPQMPPVDQ-LBPRGKRZSA-N 1 0 344.390 3.165 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1c2ccccc2CN1C ZINC000866564121 1330127115 /nfs/dbraw/zinc/12/71/15/1330127115.db2.gz RPNRSYRSLGTUGR-ACJLOTCBSA-N 1 0 341.411 3.441 10 5 EGBERO Cn1cc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2cccnc21 ZINC000866574111 1330128769 /nfs/dbraw/zinc/12/87/69/1330128769.db2.gz RHNDOMHQUMTQIT-QGZVFWFLSA-N 1 0 336.395 3.301 10 5 EGBERO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000868118991 1330251528 /nfs/dbraw/zinc/25/15/28/1330251528.db2.gz GFWHYSIDXALFRS-NSHDSACASA-N 1 0 340.811 3.148 10 5 EGBERO CCc1ccc(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001196906714 1368712058 /nfs/dbraw/zinc/71/20/58/1368712058.db2.gz DSZIBCPKPPQDLD-LJQANCHMSA-N 1 0 328.412 3.197 10 5 EGBERO CCc1ccc([C@@H](CNc2nn(C)cc2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001186594223 1387977867 /nfs/dbraw/zinc/97/78/67/1387977867.db2.gz PMFDEOOZLPNLFC-MRXNPFEDSA-N 1 0 345.447 3.386 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001187932570 1388193991 /nfs/dbraw/zinc/19/39/91/1388193991.db2.gz XFYGVYQYSWSNGI-HNNXBMFYSA-N 1 0 349.793 3.408 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001123446979 1372472445 /nfs/dbraw/zinc/47/24/45/1372472445.db2.gz RFJRICLMTUXGPE-BETUJISGSA-N 1 0 342.399 3.210 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001125082273 1372751688 /nfs/dbraw/zinc/75/16/88/1372751688.db2.gz KAUIMDPQRDQWDL-INIZCTEOSA-N 1 0 340.379 3.331 10 5 EGBERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001136733332 1377418856 /nfs/dbraw/zinc/41/88/56/1377418856.db2.gz UIFYVYGCSRTSKL-HNNXBMFYSA-N 1 0 333.432 3.206 10 5 EGBERO C/C=C(\C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001272720272 1378080969 /nfs/dbraw/zinc/08/09/69/1378080969.db2.gz DBPPGUXEQWGUIO-BFGMFWIQSA-N 1 0 345.443 3.326 10 5 EGBERO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001295136796 1382552601 /nfs/dbraw/zinc/55/26/01/1382552601.db2.gz QNEIZWRXGQYCLJ-NVXWUHKLSA-N 1 0 333.432 3.284 10 5 EGBERO CC(C)Oc1nc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001162879986 1382903849 /nfs/dbraw/zinc/90/38/49/1382903849.db2.gz GPNLDNHLYCRYOI-UHFFFAOYSA-N 1 0 348.447 3.232 10 5 EGBERO COCC[N@@H+]1CCC[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001163545592 1383074536 /nfs/dbraw/zinc/07/45/36/1383074536.db2.gz RHUKIKXYDXXWIO-LBPRGKRZSA-N 1 0 347.337 3.136 10 5 EGBERO CC1(C)CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC[NH2+]1 ZINC001164190668 1383164702 /nfs/dbraw/zinc/16/47/02/1383164702.db2.gz ITHVBXXIPOULMJ-UHFFFAOYSA-N 1 0 339.395 3.014 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CC4CCCCC4)CC3)nc2c1 ZINC001306947151 1383924615 /nfs/dbraw/zinc/92/46/15/1383924615.db2.gz PMDZBJUNCYADTQ-UHFFFAOYSA-N 1 0 343.431 3.173 10 5 EGBERO C[NH+](C)[C@H]1C[C@@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001307149293 1383945371 /nfs/dbraw/zinc/94/53/71/1383945371.db2.gz FMAZTDOHYUFYKK-CABCVRRESA-N 1 0 348.834 3.359 10 5 EGBERO COc1ccc2ncc([N+](=O)[O-])c(N(C)CC[NH+]3CCCCC3)c2c1 ZINC001307150003 1383946022 /nfs/dbraw/zinc/94/60/22/1383946022.db2.gz TUJCZBNVOVRXGB-UHFFFAOYSA-N 1 0 344.415 3.074 10 5 EGBERO Cn1ncc([N+](=O)[O-])c1NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001307176756 1383951059 /nfs/dbraw/zinc/95/10/59/1383951059.db2.gz GURNFVKMWZJXDZ-UHFFFAOYSA-N 1 0 343.431 3.043 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001317085499 1384848370 /nfs/dbraw/zinc/84/83/70/1384848370.db2.gz KOFHJLWXCKVODU-WKILWMFISA-N 1 0 331.416 3.078 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001176941158 1385749735 /nfs/dbraw/zinc/74/97/35/1385749735.db2.gz ZAFZCYQTXQKFJH-OALUTQOASA-N 1 0 342.395 3.092 10 5 EGBERO Cc1cc(F)cc(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC001349768082 1391364533 /nfs/dbraw/zinc/36/45/33/1391364533.db2.gz WNKKHWJKXMRLPU-UHFFFAOYSA-N 1 0 337.395 3.035 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001353496653 1392023534 /nfs/dbraw/zinc/02/35/34/1392023534.db2.gz IFMMKLPRALESNJ-LLVKDONJSA-N 1 0 327.812 3.098 10 5 EGBERO CCCN(C(=O)C(C)C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001479990811 1392522521 /nfs/dbraw/zinc/52/25/21/1392522521.db2.gz OKDBKGITERBRBQ-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO CC/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001690018935 1404260014 /nfs/dbraw/zinc/26/00/14/1404260014.db2.gz WQTFHGKUUZSAMM-PJQLUOCWSA-N 1 0 345.443 3.374 10 5 EGBERO C[N@H+](CCNC(=O)C1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690930150 1404839250 /nfs/dbraw/zinc/83/92/50/1404839250.db2.gz OLZNNAKPWUNCHL-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001691585366 1405346952 /nfs/dbraw/zinc/34/69/52/1405346952.db2.gz UFLYTKXJGBYRBD-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC001691594552 1405349716 /nfs/dbraw/zinc/34/97/16/1405349716.db2.gz ROSYVWMKFKFLDS-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO CC1(CCC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001691748926 1405468704 /nfs/dbraw/zinc/46/87/04/1405468704.db2.gz NOGGLZNDZXGFRZ-IYBDPMFKSA-N 1 0 345.443 3.160 10 5 EGBERO CCC(CC)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691767227 1405480163 /nfs/dbraw/zinc/48/01/63/1405480163.db2.gz BBUMSYQSMKBVQH-YEORSEQZSA-N 1 0 339.461 3.077 10 5 EGBERO C/C=C(/C)C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001700510386 1414159104 /nfs/dbraw/zinc/15/91/04/1414159104.db2.gz CLUSVGVKUQTKIF-CQPUUCJISA-N 1 0 345.443 3.470 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)=C1CCC1 ZINC001732772839 1428961291 /nfs/dbraw/zinc/96/12/91/1428961291.db2.gz VQRXRBKANRQTIM-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO O=C(CCC1CCC1)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001707082713 1417190484 /nfs/dbraw/zinc/19/04/84/1417190484.db2.gz WQIBDYGASMGNPX-QAQDUYKDSA-N 1 0 345.443 3.160 10 5 EGBERO CC[N@H+](CCCNC(=O)c1coc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001707447585 1417351488 /nfs/dbraw/zinc/35/14/88/1417351488.db2.gz OTWUVSLEPNKPNO-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\C(C)(C)C ZINC001716210191 1420567388 /nfs/dbraw/zinc/56/73/88/1420567388.db2.gz JZSFLFVZAZFSIW-KHPPLWFESA-N 1 0 333.432 3.135 10 5 EGBERO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001717147912 1421139943 /nfs/dbraw/zinc/13/99/43/1421139943.db2.gz KGOJUBILEUFQLK-XGICHPGQSA-N 1 0 337.445 3.141 10 5 EGBERO C/C=C(\C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001717451866 1421381849 /nfs/dbraw/zinc/38/18/49/1421381849.db2.gz JXHVRMCHZINXJZ-MKMNVTDBSA-N 1 0 333.432 3.135 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCC1 ZINC001724841203 1425190414 /nfs/dbraw/zinc/19/04/14/1425190414.db2.gz RMZOIVRMLDGENI-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1N1CCc2ccccc21 ZINC000040586039 213354855 /nfs/dbraw/zinc/35/48/55/213354855.db2.gz SLEGHNGFZJWLCD-UHFFFAOYSA-N 1 0 334.339 3.218 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000035273825 213016218 /nfs/dbraw/zinc/01/62/18/213016218.db2.gz YOHSJGJURKNXTF-NOZJJQNGSA-N 1 0 329.194 3.014 10 5 EGBERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092097102 218118049 /nfs/dbraw/zinc/11/80/49/218118049.db2.gz AEDPQXWTRXNXQP-OAHLLOKOSA-N 1 0 345.424 3.034 10 5 EGBERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178446100 533023017 /nfs/dbraw/zinc/02/30/17/533023017.db2.gz YCIKAZCAKIUEKH-SUMWQHHRSA-N 1 0 330.384 3.296 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000178353151 285161928 /nfs/dbraw/zinc/16/19/28/285161928.db2.gz NLJCRGRFNZFEHS-CMKODMSKSA-N 1 0 338.407 3.164 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000372810332 157388445 /nfs/dbraw/zinc/38/84/45/157388445.db2.gz PYPMGNIPSBJOFA-OAHLLOKOSA-N 1 0 342.399 3.163 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067210047 161591327 /nfs/dbraw/zinc/59/13/27/161591327.db2.gz YQYQTKAWCIUCHH-MRXNPFEDSA-N 1 0 339.395 3.036 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248653524 163026245 /nfs/dbraw/zinc/02/62/45/163026245.db2.gz URUMJDPJMXVAFN-UKRRQHHQSA-N 1 0 334.420 3.062 10 5 EGBERO COc1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000352404144 165382870 /nfs/dbraw/zinc/38/28/70/165382870.db2.gz CNWWKXOCFJQMSQ-IBGZPJMESA-N 1 0 342.395 3.349 10 5 EGBERO COCC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352404227 165384024 /nfs/dbraw/zinc/38/40/24/165384024.db2.gz FNAXWFCXTRXLKV-UHFFFAOYSA-N 1 0 344.411 3.295 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355739907 166293881 /nfs/dbraw/zinc/29/38/81/166293881.db2.gz JPZAZTKBINZAOT-MCIONIFRSA-N 1 0 349.431 3.298 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359553030 167190270 /nfs/dbraw/zinc/19/02/70/167190270.db2.gz GXMWHPZWIQVOIK-UGSOOPFHSA-N 1 0 331.416 3.354 10 5 EGBERO CC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176191415 265161976 /nfs/dbraw/zinc/16/19/76/265161976.db2.gz OMVZUUDRRLNYGO-IAGOWNOFSA-N 1 0 348.447 3.220 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184806729 275213647 /nfs/dbraw/zinc/21/36/47/275213647.db2.gz DBKOKTHSIBOXAA-VMPITWQZSA-N 1 0 338.411 3.215 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000278636312 275261236 /nfs/dbraw/zinc/26/12/36/275261236.db2.gz MPRDMNLSFQHODV-UHFFFAOYSA-N 1 0 339.823 3.018 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000278738561 275270318 /nfs/dbraw/zinc/27/03/18/275270318.db2.gz SLVHZQHIOIUAGU-CYBMUJFWSA-N 1 0 339.823 3.159 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000289283615 276315897 /nfs/dbraw/zinc/31/58/97/276315897.db2.gz GMQDVGTZJKMQJM-UHFFFAOYSA-N 1 0 329.375 3.493 10 5 EGBERO C[N@@H+]1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000289459005 276342271 /nfs/dbraw/zinc/34/22/71/276342271.db2.gz VSHVIACDZVNEIH-QZTJIDSGSA-N 1 0 347.365 3.408 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414344566 309074067 /nfs/dbraw/zinc/07/40/67/309074067.db2.gz RPYWLMDWPZRJSW-ATLSCFEFSA-N 1 0 332.444 3.447 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248388378 308001630 /nfs/dbraw/zinc/00/16/30/308001630.db2.gz DSDQLCMPKIBWAL-QGPMSJSTSA-N 1 0 347.459 3.008 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](O)C(F)F ZINC000295087506 308289874 /nfs/dbraw/zinc/28/98/74/308289874.db2.gz RBZWIPNDRILBOJ-SWLSCSKDSA-N 1 0 340.326 3.349 10 5 EGBERO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](O)C(F)F ZINC000295097394 308291088 /nfs/dbraw/zinc/29/10/88/308291088.db2.gz SFTDRHSXKLMMGE-UKRRQHHQSA-N 1 0 340.326 3.349 10 5 EGBERO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295997226 308383130 /nfs/dbraw/zinc/38/31/30/308383130.db2.gz XKZCIHJCUNCVGN-RYUDHWBXSA-N 1 0 339.823 3.111 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000418099596 309235360 /nfs/dbraw/zinc/23/53/60/309235360.db2.gz QBQSLCDEIDYXPY-INIZCTEOSA-N 1 0 328.368 3.223 10 5 EGBERO CC(C)(NC(=O)NCC1([NH3+])CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000418283033 309241565 /nfs/dbraw/zinc/24/15/65/309241565.db2.gz IUBMBEXMUHTIOV-UHFFFAOYSA-N 1 0 348.447 3.181 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401664 309286491 /nfs/dbraw/zinc/28/64/91/309286491.db2.gz POKXFTBLLUMLOI-MAUKXSAKSA-N 1 0 347.459 3.346 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422708945 309364102 /nfs/dbraw/zinc/36/41/02/309364102.db2.gz CLQSOUWOIKEOJY-IXDOHACOSA-N 1 0 333.432 3.004 10 5 EGBERO CCOc1cccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000449763317 310085454 /nfs/dbraw/zinc/08/54/54/310085454.db2.gz QSUZQNCKOCHUBP-UHFFFAOYSA-N 1 0 344.411 3.296 10 5 EGBERO COc1cc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000492850311 311298876 /nfs/dbraw/zinc/29/88/76/311298876.db2.gz GEDXZYTVQVQAME-SCLBCKFNSA-N 1 0 342.395 3.427 10 5 EGBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000494005699 311451115 /nfs/dbraw/zinc/45/11/15/311451115.db2.gz BWODYFOBJZICOK-UHFFFAOYSA-N 1 0 348.447 3.025 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2cnccn2)c2ccccc2)c1 ZINC000494748415 311509170 /nfs/dbraw/zinc/50/91/70/311509170.db2.gz VJHOQRGNDPIWDP-IBGZPJMESA-N 1 0 334.379 3.307 10 5 EGBERO CCOc1cc(OCc2ccc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000519771695 312477671 /nfs/dbraw/zinc/47/76/71/312477671.db2.gz JAVYQRZROAFTLR-UHFFFAOYSA-N 1 0 328.368 3.218 10 5 EGBERO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000536754118 314143779 /nfs/dbraw/zinc/14/37/79/314143779.db2.gz JOBPPWBMOKBCQJ-LPHOPBHVSA-N 1 0 342.395 3.471 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000536842660 314149004 /nfs/dbraw/zinc/14/90/04/314149004.db2.gz ADLCAMCNYHDQGP-DGCLKSJQSA-N 1 0 341.358 3.479 10 5 EGBERO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000540398198 314377855 /nfs/dbraw/zinc/37/78/55/314377855.db2.gz OCZRDDDWFWZPGY-CQSZACIVSA-N 1 0 348.447 3.220 10 5 EGBERO Cc1cc(N[C@H]2CSC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549219520 315082253 /nfs/dbraw/zinc/08/22/53/315082253.db2.gz OPIBLNQSUJFWHJ-ZDUSSCGKSA-N 1 0 330.413 3.088 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc4[nH]cnc4c3)c2c1 ZINC000554723725 315345213 /nfs/dbraw/zinc/34/52/13/315345213.db2.gz PBIDVGLYIBZVPH-UHFFFAOYSA-N 1 0 335.367 3.285 10 5 EGBERO Cc1ncc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)n1 ZINC000564145971 316117203 /nfs/dbraw/zinc/11/72/03/316117203.db2.gz AWURWGDTYXODEO-LLVKDONJSA-N 1 0 339.399 3.376 10 5 EGBERO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1=CCCCC1 ZINC000566130478 316423158 /nfs/dbraw/zinc/42/31/58/316423158.db2.gz LSZZELLRUMSGBT-INIZCTEOSA-N 1 0 348.443 3.451 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)c2c1 ZINC000351050478 324158971 /nfs/dbraw/zinc/15/89/71/324158971.db2.gz RDURJPCLQXRYHB-UHFFFAOYSA-N 1 0 346.306 3.441 10 5 EGBERO Cc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000379684594 324241063 /nfs/dbraw/zinc/24/10/63/324241063.db2.gz FPARNCDFMIWTTQ-QGZVFWFLSA-N 1 0 340.427 3.187 10 5 EGBERO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382459189 324250907 /nfs/dbraw/zinc/25/09/07/324250907.db2.gz TTYDSEAHZIVNPX-ZJUUUORDSA-N 1 0 328.210 3.205 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000578771017 325016845 /nfs/dbraw/zinc/01/68/45/325016845.db2.gz CGJBTHGWVIAKRN-RKCSUWQLSA-N 1 0 334.441 3.206 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000579974961 325186427 /nfs/dbraw/zinc/18/64/27/325186427.db2.gz CWQPNCDYCCLSFX-AWEZNQCLSA-N 1 0 327.384 3.296 10 5 EGBERO O=C(NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccs1 ZINC000580465357 325254871 /nfs/dbraw/zinc/25/48/71/325254871.db2.gz GAQNLDJNIJSMHC-CQSZACIVSA-N 1 0 345.424 3.053 10 5 EGBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000181254103 455308241 /nfs/dbraw/zinc/30/82/41/455308241.db2.gz GDOFCLQNOVHTPB-AWEZNQCLSA-N 1 0 349.456 3.016 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000245539937 455325082 /nfs/dbraw/zinc/32/50/82/455325082.db2.gz JXRONKYWEXKHPE-IMJJTQAJSA-N 1 0 341.415 3.022 10 5 EGBERO CC[NH+](CC)CCNc1cccc2oc3ccc(O)cc3c(=O)c12 ZINC000005486800 452878774 /nfs/dbraw/zinc/87/87/74/452878774.db2.gz DYWVMMQYZPFLFF-UHFFFAOYSA-N 1 0 326.396 3.406 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000008248264 453182385 /nfs/dbraw/zinc/18/23/85/453182385.db2.gz XSOSPJNOPVUYPG-SNVBAGLBSA-N 1 0 335.310 3.162 10 5 EGBERO CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000012760043 453398971 /nfs/dbraw/zinc/39/89/71/453398971.db2.gz HQTPBRFYQLTPOF-MRXNPFEDSA-N 1 0 334.420 3.227 10 5 EGBERO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000069681973 454132263 /nfs/dbraw/zinc/13/22/63/454132263.db2.gz SYJZXHMBMQLFIS-AWEZNQCLSA-N 1 0 333.432 3.236 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000089732276 454186525 /nfs/dbraw/zinc/18/65/25/454186525.db2.gz GHJVAHVTPUVNCG-ZBFHGGJFSA-N 1 0 341.415 3.013 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046375492 454246642 /nfs/dbraw/zinc/24/66/42/454246642.db2.gz ABTGXLVOZDVRSW-NSHDSACASA-N 1 0 340.811 3.244 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120944390 454367669 /nfs/dbraw/zinc/36/76/69/454367669.db2.gz ZDAAGFIGMSBXJZ-HIFRSBDPSA-N 1 0 348.447 3.406 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000073051757 454387845 /nfs/dbraw/zinc/38/78/45/454387845.db2.gz CPKQBRMCCPTDFO-SNVBAGLBSA-N 1 0 349.774 3.004 10 5 EGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264383 454719860 /nfs/dbraw/zinc/71/98/60/454719860.db2.gz LJLSGNRXAMUOKD-LBPRGKRZSA-N 1 0 340.811 3.196 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176724602 454775615 /nfs/dbraw/zinc/77/56/15/454775615.db2.gz OAKDVZVVIQJQRR-GOEBONIOSA-N 1 0 348.447 3.090 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000184940376 455475452 /nfs/dbraw/zinc/47/54/52/455475452.db2.gz NZZWBUMMROZFHH-GAJHUEQPSA-N 1 0 332.425 3.113 10 5 EGBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179959851 455106525 /nfs/dbraw/zinc/10/65/25/455106525.db2.gz JIGYPBHBZKIDEQ-VFADXPBXSA-N 1 0 332.400 3.272 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160895632 455510721 /nfs/dbraw/zinc/51/07/21/455510721.db2.gz DNIGYIGCHKUDDU-UHFFFAOYSA-N 1 0 348.447 3.454 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247344604 455590656 /nfs/dbraw/zinc/59/06/56/455590656.db2.gz JIBMCQITKGOEJH-XHDPSFHLSA-N 1 0 339.823 3.051 10 5 EGBERO Cc1[nH+]ccc(NCc2ccc([N+](=O)[O-])cc2F)c1Br ZINC000616955454 460684899 /nfs/dbraw/zinc/68/48/99/460684899.db2.gz ZRYKBXGHQTYITF-UHFFFAOYSA-N 1 0 340.152 3.234 10 5 EGBERO Cc1ccc([C@H](C)OC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000192692869 455671153 /nfs/dbraw/zinc/67/11/53/455671153.db2.gz GGXFFVVNHXDNFN-ZDUSSCGKSA-N 1 0 332.400 3.382 10 5 EGBERO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000252484569 455810128 /nfs/dbraw/zinc/81/01/28/455810128.db2.gz FZNKKYXOZHCMJN-CABCVRRESA-N 1 0 335.448 3.045 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000194959534 455906005 /nfs/dbraw/zinc/90/60/05/455906005.db2.gz MSEFHJACZFAZOS-MAUKXSAKSA-N 1 0 339.395 3.078 10 5 EGBERO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ccc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000301341194 456093906 /nfs/dbraw/zinc/09/39/06/456093906.db2.gz DZXCKRUCFCXDPV-OKILXGFUSA-N 1 0 342.399 3.343 10 5 EGBERO CCc1cc(N[C@H](C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301357640 456097769 /nfs/dbraw/zinc/09/77/69/456097769.db2.gz NQUXBUMUCLULLW-NWDGAFQWSA-N 1 0 330.388 3.043 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280985878 456100845 /nfs/dbraw/zinc/10/08/45/456100845.db2.gz LLJAZCOPFUPPRX-KBXCAEBGSA-N 1 0 327.384 3.342 10 5 EGBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469223 456123171 /nfs/dbraw/zinc/12/31/71/456123171.db2.gz HUULCAKWGIUZHH-GZBFAFLISA-N 1 0 335.835 3.477 10 5 EGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921936 456315222 /nfs/dbraw/zinc/31/52/22/456315222.db2.gz TURUEJFOVHJARS-STQMWFEESA-N 1 0 344.415 3.069 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340538731 456519970 /nfs/dbraw/zinc/51/99/70/456519970.db2.gz RYNMGIJRCCSPDY-OXXUSNJHSA-N 1 0 344.415 3.169 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000340538732 456520309 /nfs/dbraw/zinc/52/03/09/456520309.db2.gz RYNMGIJRCCSPDY-PLYYQAHHSA-N 1 0 344.415 3.169 10 5 EGBERO COc1cc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000348670682 456810007 /nfs/dbraw/zinc/81/00/07/456810007.db2.gz JNUULSPKUDKOKI-UHFFFAOYSA-N 1 0 329.400 3.290 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412049838 458067367 /nfs/dbraw/zinc/06/73/67/458067367.db2.gz XARGCIHSEHEBAH-NEPJUHHUSA-N 1 0 335.404 3.051 10 5 EGBERO CC[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000458489562 458067773 /nfs/dbraw/zinc/06/77/73/458067773.db2.gz DXCXZDBZZUEEGT-INIZCTEOSA-N 1 0 348.447 3.220 10 5 EGBERO CC[C@@H](NC(=O)N1CC[N@H+](CC)C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506323 458074146 /nfs/dbraw/zinc/07/41/46/458074146.db2.gz NPKCVKOAYYDQLF-DOTOQJQBSA-N 1 0 348.447 3.172 10 5 EGBERO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526872 458082739 /nfs/dbraw/zinc/08/27/39/458082739.db2.gz YIQKDHZYMRZNAH-IAGOWNOFSA-N 1 0 348.447 3.170 10 5 EGBERO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC000372350706 458285391 /nfs/dbraw/zinc/28/53/91/458285391.db2.gz SGFROSZLYFTLQH-NSHDSACASA-N 1 0 349.822 3.417 10 5 EGBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000460356732 458513107 /nfs/dbraw/zinc/51/31/07/458513107.db2.gz PBAVUFDVADJTAZ-HUUCEWRRSA-N 1 0 349.431 3.346 10 5 EGBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000431076223 458524729 /nfs/dbraw/zinc/52/47/29/458524729.db2.gz DKCQEOCCOORJAY-USPMSXPRSA-N 1 0 331.416 3.399 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000439163824 458666089 /nfs/dbraw/zinc/66/60/89/458666089.db2.gz HJPHOFOQECUNSE-AAEUAGOBSA-N 1 0 339.823 3.111 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441024105 458878843 /nfs/dbraw/zinc/87/88/43/458878843.db2.gz GKGFHKVWMFVOPQ-YJYMSZOUSA-N 1 0 342.395 3.427 10 5 EGBERO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521116 459078156 /nfs/dbraw/zinc/07/81/56/459078156.db2.gz LWNQCRNKVJJGOX-ZNMIVQPWSA-N 1 0 338.452 3.316 10 5 EGBERO COc1c(C)cccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594577673 459096298 /nfs/dbraw/zinc/09/62/98/459096298.db2.gz YXELAUJHNUFHOC-UHFFFAOYSA-N 1 0 343.383 3.030 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000578300026 459176379 /nfs/dbraw/zinc/17/63/79/459176379.db2.gz LIGVTRBWVUTJHS-CQSZACIVSA-N 1 0 344.333 3.493 10 5 EGBERO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594973274 459201092 /nfs/dbraw/zinc/20/10/92/459201092.db2.gz LLEPNLOUNVUVKE-VIFPVBQESA-N 1 0 328.340 3.492 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000594979121 459203212 /nfs/dbraw/zinc/20/32/12/459203212.db2.gz JDKKRAAOOZZJQF-CRAIPNDOSA-N 1 0 328.416 3.138 10 5 EGBERO C[C@]1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595080020 459239775 /nfs/dbraw/zinc/23/97/75/459239775.db2.gz IUBGHBPPGFBOAV-BZPMIXESSA-N 1 0 328.363 3.300 10 5 EGBERO C[C@]1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595080033 459239978 /nfs/dbraw/zinc/23/99/78/459239978.db2.gz IUBGHBPPGFBOAV-OBJOEFQTSA-N 1 0 328.363 3.300 10 5 EGBERO Cc1ccc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595229752 459259706 /nfs/dbraw/zinc/25/97/06/459259706.db2.gz FGKVWOZAAFCQIE-HNNXBMFYSA-N 1 0 346.431 3.147 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000595394987 459290838 /nfs/dbraw/zinc/29/08/38/459290838.db2.gz SOWRCTXPBYYBJX-ZDUSSCGKSA-N 1 0 345.378 3.040 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000595503234 459327824 /nfs/dbraw/zinc/32/78/24/459327824.db2.gz YVRLBQLPGNVRJB-OAHLLOKOSA-N 1 0 327.384 3.248 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000591510520 459394449 /nfs/dbraw/zinc/39/44/49/459394449.db2.gz WNCVBGGSJHJOEH-CVEARBPZSA-N 1 0 345.443 3.299 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595819019 459452278 /nfs/dbraw/zinc/45/22/78/459452278.db2.gz KXGMSFMRKUOFDM-KBHBFKLGSA-N 1 0 337.395 3.428 10 5 EGBERO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596105376 459523204 /nfs/dbraw/zinc/52/32/04/459523204.db2.gz OXFFMXCKNVQODF-JTQLQIEISA-N 1 0 343.811 3.177 10 5 EGBERO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210132 459534478 /nfs/dbraw/zinc/53/44/78/459534478.db2.gz NWZJQQJOJDAGED-HOTGVXAUSA-N 1 0 344.411 3.336 10 5 EGBERO COc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596155870 459541266 /nfs/dbraw/zinc/54/12/66/459541266.db2.gz JXPSQJCQEOEUNY-VHSXEESVSA-N 1 0 325.796 3.294 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000498358651 459583445 /nfs/dbraw/zinc/58/34/45/459583445.db2.gz GQHRLKSJDHAPRO-KRWDZBQOSA-N 1 0 333.432 3.144 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592425658 459598732 /nfs/dbraw/zinc/59/87/32/459598732.db2.gz HZNIIZLHHMABHC-CQSZACIVSA-N 1 0 332.404 3.008 10 5 EGBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596361205 459607859 /nfs/dbraw/zinc/60/78/59/459607859.db2.gz QCOJUXXMAMRFMB-LBPRGKRZSA-N 1 0 344.406 3.216 10 5 EGBERO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000583974051 459627768 /nfs/dbraw/zinc/62/77/68/459627768.db2.gz BMCKLDRBSHWFTO-CQSZACIVSA-N 1 0 341.411 3.065 10 5 EGBERO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592570452 459632161 /nfs/dbraw/zinc/63/21/61/459632161.db2.gz KLZRCLKTKFKLDC-INIZCTEOSA-N 1 0 331.416 3.123 10 5 EGBERO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596652335 459716029 /nfs/dbraw/zinc/71/60/29/459716029.db2.gz PRBGXAJPDKPXRM-GVDBMIGSSA-N 1 0 341.415 3.134 10 5 EGBERO COc1ccc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000593040563 459751863 /nfs/dbraw/zinc/75/18/63/459751863.db2.gz HIQDJJSIVCVJIA-UHFFFAOYSA-N 1 0 341.411 3.421 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593054554 459756645 /nfs/dbraw/zinc/75/66/45/459756645.db2.gz JPUZCYMBFPFPHC-UHFFFAOYSA-N 1 0 348.296 3.340 10 5 EGBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593203439 459807734 /nfs/dbraw/zinc/80/77/34/459807734.db2.gz CFMAJFOOJQNIMJ-UHFFFAOYSA-N 1 0 333.388 3.049 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545951812 459878309 /nfs/dbraw/zinc/87/83/09/459878309.db2.gz NHUHWVQMRVSPSX-HNNXBMFYSA-N 1 0 346.349 3.429 10 5 EGBERO C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000593725710 459965209 /nfs/dbraw/zinc/96/52/09/459965209.db2.gz UDGNPULDCKVPFM-LRDDRELGSA-N 1 0 327.384 3.022 10 5 EGBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000598930560 460094563 /nfs/dbraw/zinc/09/45/63/460094563.db2.gz TZRAMVHLSATVDM-UHFFFAOYSA-N 1 0 326.396 3.392 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cs2)c1 ZINC000599007653 460126041 /nfs/dbraw/zinc/12/60/41/460126041.db2.gz RXYJQIJUMWMYLT-CZUORRHYSA-N 1 0 345.424 3.375 10 5 EGBERO C[N@@H+]1CCC[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@H]21 ZINC000599055552 460141793 /nfs/dbraw/zinc/14/17/93/460141793.db2.gz HUDMQHQSVFNKIU-GOEBONIOSA-N 1 0 326.400 3.064 10 5 EGBERO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599056080 460144071 /nfs/dbraw/zinc/14/40/71/460144071.db2.gz JELMEOMCMHZNMP-MFKMUULPSA-N 1 0 328.294 3.246 10 5 EGBERO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599071040 460150129 /nfs/dbraw/zinc/15/01/29/460150129.db2.gz QGPJLJJECRYVMS-SRVKXCTJSA-N 1 0 345.424 3.238 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000599084073 460155990 /nfs/dbraw/zinc/15/59/90/460155990.db2.gz RQLOMODKGUNKIX-LBPRGKRZSA-N 1 0 341.367 3.199 10 5 EGBERO C[N@@H+]1CCC[C@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599085908 460156204 /nfs/dbraw/zinc/15/62/04/460156204.db2.gz HKVVXDXRNJRGIL-SFHVURJKSA-N 1 0 326.400 3.065 10 5 EGBERO Cc1cc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000610468913 460158849 /nfs/dbraw/zinc/15/88/49/460158849.db2.gz UUOWPIRINNXIPM-MRXNPFEDSA-N 1 0 340.427 3.399 10 5 EGBERO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000599601054 460285425 /nfs/dbraw/zinc/28/54/25/460285425.db2.gz PFNGVQZFIGLINH-ZDUSSCGKSA-N 1 0 346.383 3.342 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000611515386 460384477 /nfs/dbraw/zinc/38/44/77/460384477.db2.gz YSQXZIXPHQLIAJ-HNNXBMFYSA-N 1 0 342.399 3.081 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000601791942 460899531 /nfs/dbraw/zinc/89/95/31/460899531.db2.gz RPHCWQKLISHJGC-UHFFFAOYSA-N 1 0 347.459 3.205 10 5 EGBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000870996942 1296172888 /nfs/dbraw/zinc/17/28/88/1296172888.db2.gz NPXDCCWVLRWEJC-MRXNPFEDSA-N 1 0 339.823 3.085 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000871355284 1296363272 /nfs/dbraw/zinc/36/32/72/1296363272.db2.gz DFSMWVUWQUFPSG-UHFFFAOYSA-N 1 0 339.823 3.241 10 5 EGBERO C[C@H]([NH2+]CCCOCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039279 1296690124 /nfs/dbraw/zinc/69/01/24/1296690124.db2.gz RYXUSPKWZRLISR-ZDUSSCGKSA-N 1 0 340.395 3.218 10 5 EGBERO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077734 1296720574 /nfs/dbraw/zinc/72/05/74/1296720574.db2.gz AIBUAQBMCLWMBE-AAEUAGOBSA-N 1 0 336.338 3.300 10 5 EGBERO C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872082121 1296724259 /nfs/dbraw/zinc/72/42/59/1296724259.db2.gz PSKLOSXNWIMAJG-ORAYPTAESA-N 1 0 344.386 3.261 10 5 EGBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000872110377 1296736301 /nfs/dbraw/zinc/73/63/01/1296736301.db2.gz YCGDDEJXGDJSJT-MDASCCDHSA-N 1 0 345.443 3.111 10 5 EGBERO O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000872118347 1296743661 /nfs/dbraw/zinc/74/36/61/1296743661.db2.gz YDWRGSQJNQRSGV-UXLLHSPISA-N 1 0 346.427 3.239 10 5 EGBERO O=[N+]([O-])c1cccc(C[NH2+][C@]23CCC[C@H]2OCC3)c1Br ZINC000872316461 1296911100 /nfs/dbraw/zinc/91/11/00/1296911100.db2.gz NEBPBLAPKFBROH-OCCSQVGLSA-N 1 0 341.205 3.159 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[C@@H]3CCCC3(F)F)C2)nc1 ZINC000878251856 1299865040 /nfs/dbraw/zinc/86/50/40/1299865040.db2.gz UVSDRQBLMSQTIZ-QWHCGFSZSA-N 1 0 340.374 3.302 10 5 EGBERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000893015806 1305659247 /nfs/dbraw/zinc/65/92/47/1305659247.db2.gz UCRHBYBMFLWQBC-HLLBOEOZSA-N 1 0 347.459 3.420 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)O2)CO1 ZINC000895819802 1309534476 /nfs/dbraw/zinc/53/44/76/1309534476.db2.gz KKLJHCBQMJQATN-PVXIVEMSSA-N 1 0 340.807 3.064 10 5 EGBERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000930207873 1328811912 /nfs/dbraw/zinc/81/19/12/1328811912.db2.gz HBXCYCXXMWSYOU-KWQFWETISA-N 1 0 342.264 3.194 10 5 EGBERO CC[C@H](CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000915213672 1319444934 /nfs/dbraw/zinc/44/49/34/1319444934.db2.gz LEKHCWDPVBNHFF-SOIVGHGOSA-N 1 0 347.415 3.067 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922751545 1322609137 /nfs/dbraw/zinc/60/91/37/1322609137.db2.gz RVDLBNHWRASVJY-AWEZNQCLSA-N 1 0 333.354 3.184 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](N(C)C)C(F)(F)F ZINC000922751546 1322609236 /nfs/dbraw/zinc/60/92/36/1322609236.db2.gz RVDLBNHWRASVJY-CQSZACIVSA-N 1 0 333.354 3.184 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccns1 ZINC000860054327 1329136020 /nfs/dbraw/zinc/13/60/20/1329136020.db2.gz JSLZFPCMYRKNMR-LLVKDONJSA-N 1 0 334.401 3.039 10 5 EGBERO CCC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000925778979 1325297380 /nfs/dbraw/zinc/29/73/80/1325297380.db2.gz LCVMPCZGQQQYCS-ZFWWWQNUSA-N 1 0 327.375 3.270 10 5 EGBERO CCn1nc(C)c([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000926112907 1325433476 /nfs/dbraw/zinc/43/34/76/1325433476.db2.gz IWHCRZYFSCSSME-JTQLQIEISA-N 1 0 337.811 3.061 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926951939 1327792281 /nfs/dbraw/zinc/79/22/81/1327792281.db2.gz GWIRPPIIWRRUEU-OUJBWJOFSA-N 1 0 345.321 3.100 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)O1)CCC2 ZINC000927018048 1327822639 /nfs/dbraw/zinc/82/26/39/1327822639.db2.gz XSJSYIGSQVBVNS-FUHWJXTLSA-N 1 0 346.427 3.290 10 5 EGBERO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000863210089 1329534730 /nfs/dbraw/zinc/53/47/30/1329534730.db2.gz LTNDDNRSGSYLCU-MRXNPFEDSA-N 1 0 348.472 3.288 10 5 EGBERO Cc1nn(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000863320671 1329546427 /nfs/dbraw/zinc/54/64/27/1329546427.db2.gz GPUNYPZAEHXRMR-YESZJQIVSA-N 1 0 326.400 3.101 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000863582594 1329564369 /nfs/dbraw/zinc/56/43/69/1329564369.db2.gz ONNQGQDPWQNVIN-NRSFXHEJSA-N 1 0 344.798 3.210 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000866349360 1330100217 /nfs/dbraw/zinc/10/02/17/1330100217.db2.gz ISLBWGQTBIQSIQ-ZDUSSCGKSA-N 1 0 336.407 3.197 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1C(F)F ZINC000866566454 1330127561 /nfs/dbraw/zinc/12/75/61/1330127561.db2.gz IAMBDJXUXMBXCF-NSHDSACASA-N 1 0 338.358 3.377 10 5 EGBERO C[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC001183837529 1387356601 /nfs/dbraw/zinc/35/66/01/1387356601.db2.gz XCVZDCGUSUPXOO-JHJVBQTASA-N 1 0 342.399 3.343 10 5 EGBERO CC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001193211965 1367967513 /nfs/dbraw/zinc/96/75/13/1367967513.db2.gz ZXVDQXPXEGLVRL-SFHVURJKSA-N 1 0 340.427 3.086 10 5 EGBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001186372418 1387930307 /nfs/dbraw/zinc/93/03/07/1387930307.db2.gz FVGHTJJHXTXIPS-CQSZACIVSA-N 1 0 347.415 3.119 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC001194607150 1368295577 /nfs/dbraw/zinc/29/55/77/1368295577.db2.gz DIOGDLOPLHEZSP-UHFFFAOYSA-N 1 0 328.416 3.245 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001197203817 1368763947 /nfs/dbraw/zinc/76/39/47/1368763947.db2.gz UTTWROXBCXXUIZ-AWEZNQCLSA-N 1 0 331.416 3.096 10 5 EGBERO COc1cc(N(C)CC(C)(C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC001187824299 1388172226 /nfs/dbraw/zinc/17/22/26/1388172226.db2.gz QMRSANZGILYINU-UHFFFAOYSA-N 1 0 329.828 3.281 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001187880804 1388182806 /nfs/dbraw/zinc/18/28/06/1388182806.db2.gz QVLGZUGXNYCUQH-LLVKDONJSA-N 1 0 329.322 3.367 10 5 EGBERO Cc1c(CC(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC001131232492 1373666152 /nfs/dbraw/zinc/66/61/52/1373666152.db2.gz OGTSQMIQKHEWPA-RHSMWYFYSA-N 1 0 347.459 3.167 10 5 EGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001132619096 1375486777 /nfs/dbraw/zinc/48/67/77/1375486777.db2.gz LZJQACGAZNNCSO-INIZCTEOSA-N 1 0 349.406 3.261 10 5 EGBERO CCC(CC)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134198206 1376413618 /nfs/dbraw/zinc/41/36/18/1376413618.db2.gz UHXCKDMZGMVZAG-UHFFFAOYSA-N 1 0 348.447 3.111 10 5 EGBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001289678720 1382007955 /nfs/dbraw/zinc/00/79/55/1382007955.db2.gz IWDYQELLAFVWQE-INIZCTEOSA-N 1 0 347.459 3.012 10 5 EGBERO C[NH+](C)CCN(CCCc1ccccc1)c1ncc([N+](=O)[O-])cc1F ZINC001162693425 1382835910 /nfs/dbraw/zinc/83/59/10/1382835910.db2.gz OURCUWQVPVAYFV-UHFFFAOYSA-N 1 0 346.406 3.130 10 5 EGBERO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397393 1383622449 /nfs/dbraw/zinc/62/24/49/1383622449.db2.gz NKXIYGHEVLPABC-DOTOQJQBSA-N 1 0 343.427 3.281 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001168336572 1383877051 /nfs/dbraw/zinc/87/70/51/1383877051.db2.gz AOPAMFXBOSYHOD-CABCVRRESA-N 1 0 345.443 3.123 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1CCC[C@@]2(CCOC2)O1)c1cccc([N+](=O)[O-])c1 ZINC001307634007 1384005347 /nfs/dbraw/zinc/00/53/47/1384005347.db2.gz UHXLLLTUWAJMTE-BZSNNMDCSA-N 1 0 334.416 3.364 10 5 EGBERO Cc1ccc(CCC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC001307999844 1384071301 /nfs/dbraw/zinc/07/13/01/1384071301.db2.gz PQSPSRKJOZTBSQ-LJQANCHMSA-N 1 0 328.412 3.333 10 5 EGBERO CC(C)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC001308027996 1384077306 /nfs/dbraw/zinc/07/73/06/1384077306.db2.gz NFSCQXHORKXKEF-UHFFFAOYSA-N 1 0 335.448 3.100 10 5 EGBERO CCC(CC)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001169666345 1384170558 /nfs/dbraw/zinc/17/05/58/1384170558.db2.gz KSXUORSBABGVIE-UHFFFAOYSA-N 1 0 345.237 3.388 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC001170425886 1384315591 /nfs/dbraw/zinc/31/55/91/1384315591.db2.gz UKABFSLORUJFHA-CQSZACIVSA-N 1 0 342.355 3.278 10 5 EGBERO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC001171734766 1384618745 /nfs/dbraw/zinc/61/87/45/1384618745.db2.gz KWWUKYDTBJLEHL-OAHLLOKOSA-N 1 0 334.416 3.397 10 5 EGBERO COC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC001176463665 1385596293 /nfs/dbraw/zinc/59/62/93/1385596293.db2.gz NPCKKSFOTZDYTN-ZDUSSCGKSA-N 1 0 328.796 3.316 10 5 EGBERO COC(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001176464055 1385596965 /nfs/dbraw/zinc/59/69/65/1385596965.db2.gz RUIPKFQTPHHJST-ZDUSSCGKSA-N 1 0 328.796 3.316 10 5 EGBERO C/C=C(\C)C(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001319018863 1385928022 /nfs/dbraw/zinc/92/80/22/1385928022.db2.gz CHRXUFZLVGXBQJ-CRKCGEKBSA-N 1 0 345.443 3.279 10 5 EGBERO CC(C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001319988987 1386436630 /nfs/dbraw/zinc/43/66/30/1386436630.db2.gz BZYAWQLATQBUGM-UHFFFAOYSA-N 1 0 345.443 3.376 10 5 EGBERO Cc1cscc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001322461089 1387190852 /nfs/dbraw/zinc/19/08/52/1387190852.db2.gz MQTDUFFCAFGTAP-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CCCC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001329801438 1389227536 /nfs/dbraw/zinc/22/75/36/1389227536.db2.gz TWSGALRUEUNTLN-UHFFFAOYSA-N 1 0 339.461 3.365 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(OC)nc2)cc1[N+](=O)[O-] ZINC001351354748 1391630756 /nfs/dbraw/zinc/63/07/56/1391630756.db2.gz ZOUSTDZHOLTSRY-ZDUSSCGKSA-N 1 0 345.399 3.290 10 5 EGBERO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001479810521 1392404875 /nfs/dbraw/zinc/40/48/75/1392404875.db2.gz XUZOYBRICKQRQB-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCC2)CCC1 ZINC001482226751 1394820843 /nfs/dbraw/zinc/82/08/43/1394820843.db2.gz SZDFYGJVNZBNMD-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCN(C(=O)C(C)C)CC1 ZINC001484807351 1395541750 /nfs/dbraw/zinc/54/17/50/1395541750.db2.gz SJXLHLKIDWISBJ-UHFFFAOYSA-N 1 0 339.461 3.173 10 5 EGBERO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001687575507 1396412723 /nfs/dbraw/zinc/41/27/23/1396412723.db2.gz RLJOSUHYWFGZBD-RHSMWYFYSA-N 1 0 348.447 3.075 10 5 EGBERO O=C(CCC1CCC1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691433433 1405266719 /nfs/dbraw/zinc/26/67/19/1405266719.db2.gz PUIWXDKIIRAVCT-CALCHBBNSA-N 1 0 345.443 3.160 10 5 EGBERO CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691694279 1405428248 /nfs/dbraw/zinc/42/82/48/1405428248.db2.gz JVGTYEREBWOPHF-COAGQGPPSA-N 1 0 345.443 3.182 10 5 EGBERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001732390292 1428560101 /nfs/dbraw/zinc/56/01/01/1428560101.db2.gz UDNXWZHBHAGCND-LZWSPWQCSA-N 1 0 331.416 3.080 10 5 EGBERO CCC1(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001712965621 1417519183 /nfs/dbraw/zinc/51/91/83/1417519183.db2.gz BZTODCQQZNYFKJ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCC(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001713204319 1417774850 /nfs/dbraw/zinc/77/48/50/1417774850.db2.gz QXQPVHNQGKNGGH-OKILXGFUSA-N 1 0 339.461 3.219 10 5 EGBERO O=C(CC1CCCC1)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001714661173 1419446981 /nfs/dbraw/zinc/44/69/81/1419446981.db2.gz OBGJJJMYSADQEP-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC(C)(C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001715853581 1420367921 /nfs/dbraw/zinc/36/79/21/1420367921.db2.gz WOJOVTNYEBHUSN-ONEGZZNKSA-N 1 0 345.443 3.183 10 5 EGBERO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001717641320 1421546369 /nfs/dbraw/zinc/54/63/69/1421546369.db2.gz FCJDGIVETLRGSM-WKILWMFISA-N 1 0 347.459 3.261 10 5 EGBERO Cc1scc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001731912694 1428168741 /nfs/dbraw/zinc/16/87/41/1428168741.db2.gz MLDZTMYFBIBBGY-UHFFFAOYSA-N 1 0 347.440 3.135 10 5 EGBERO C/C(=C\C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)C1CC1 ZINC001733712521 1429929611 /nfs/dbraw/zinc/92/96/11/1429929611.db2.gz MAKYSLOWIYDRNR-KPKJPENVSA-N 1 0 349.456 3.141 10 5 EGBERO CC/C(C)=C\C(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733862418 1437691565 /nfs/dbraw/zinc/69/15/65/1437691565.db2.gz AAEHDJYTGMKNAU-SQFISAMPSA-N 1 0 345.443 3.422 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000183478607 235099572 /nfs/dbraw/zinc/09/95/72/235099572.db2.gz RLORBCUKRCYBAW-QGZVFWFLSA-N 1 0 336.338 3.179 10 5 EGBERO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245388718 243106097 /nfs/dbraw/zinc/10/60/97/243106097.db2.gz FCIKIPVAWXQHSQ-HUUCEWRRSA-N 1 0 333.432 3.284 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377660270 169056533 /nfs/dbraw/zinc/05/65/33/169056533.db2.gz VETCGMISISDDJG-FUHWJXTLSA-N 1 0 347.365 3.408 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246775878 141033484 /nfs/dbraw/zinc/03/34/84/141033484.db2.gz WUALEQXKKOTVLT-GDBMZVCRSA-N 1 0 346.383 3.155 10 5 EGBERO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000352971815 141280736 /nfs/dbraw/zinc/28/07/36/141280736.db2.gz ZHVPIWIGLWHULP-KRWDZBQOSA-N 1 0 339.399 3.167 10 5 EGBERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178639858 144073853 /nfs/dbraw/zinc/07/38/53/144073853.db2.gz DIRCXIBJVGHPTO-WBMJQRKESA-N 1 0 325.368 3.371 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183826510 144080349 /nfs/dbraw/zinc/08/03/49/144080349.db2.gz MKDJXUKTCGSSEJ-HNNXBMFYSA-N 1 0 326.400 3.263 10 5 EGBERO Cc1ccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341459338 155304383 /nfs/dbraw/zinc/30/43/83/155304383.db2.gz IOQXLSIQGZFACR-OKILXGFUSA-N 1 0 334.420 3.288 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOCC4(CC4)C3)o2)cc1 ZINC000341565121 155358077 /nfs/dbraw/zinc/35/80/77/155358077.db2.gz NBFNIQQFPSPYLR-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000189688221 153090217 /nfs/dbraw/zinc/09/02/17/153090217.db2.gz BTEFCZVQEUPWCJ-UHFFFAOYSA-N 1 0 345.443 3.419 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000341062544 155131522 /nfs/dbraw/zinc/13/15/22/155131522.db2.gz CGNJZXLOLKTNBZ-CHWSQXEVSA-N 1 0 344.415 3.069 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000372797421 157385925 /nfs/dbraw/zinc/38/59/25/157385925.db2.gz DFPQEZZMMLFAEQ-QGZVFWFLSA-N 1 0 341.411 3.453 10 5 EGBERO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000342353352 163856333 /nfs/dbraw/zinc/85/63/33/163856333.db2.gz ZFSWLEXXOUHIJR-KRWDZBQOSA-N 1 0 334.347 3.090 10 5 EGBERO C[C@@H]1CCCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343880700 164056662 /nfs/dbraw/zinc/05/66/62/164056662.db2.gz GLXOMWOWAJRNEZ-CYBMUJFWSA-N 1 0 333.388 3.157 10 5 EGBERO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344031714 164087463 /nfs/dbraw/zinc/08/74/63/164087463.db2.gz CVCWZTRQBUQUHX-KBPBESRZSA-N 1 0 347.415 3.219 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000344060619 164094267 /nfs/dbraw/zinc/09/42/67/164094267.db2.gz LVYIWBZKMNCSNE-AWEZNQCLSA-N 1 0 347.415 3.220 10 5 EGBERO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCCC2)c1 ZINC000344411359 164173124 /nfs/dbraw/zinc/17/31/24/164173124.db2.gz CJGCXRPSSLKGFM-KRWDZBQOSA-N 1 0 342.399 3.247 10 5 EGBERO C[NH+](C)CC1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347412891 164496332 /nfs/dbraw/zinc/49/63/32/164496332.db2.gz KABKVVXQKOCMJR-UHFFFAOYSA-N 1 0 329.404 3.070 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c(F)c1 ZINC000350313182 165028427 /nfs/dbraw/zinc/02/84/27/165028427.db2.gz YGFKJUAWOQEXCF-ZDUSSCGKSA-N 1 0 340.420 3.268 10 5 EGBERO CN1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000352093576 165232557 /nfs/dbraw/zinc/23/25/57/165232557.db2.gz RJOXSCJKBAGEEI-OALUTQOASA-N 1 0 341.411 3.009 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000352108656 165239799 /nfs/dbraw/zinc/23/97/99/165239799.db2.gz YMAYDYMKKDUZII-MJGOQNOKSA-N 1 0 341.411 3.138 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(C(F)(F)F)CC2)n1 ZINC000353947794 165928453 /nfs/dbraw/zinc/92/84/53/165928453.db2.gz PFSWCBPGWIMORR-GHMZBOCLSA-N 1 0 332.326 3.207 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ncccc2O)o1 ZINC000355278959 166152365 /nfs/dbraw/zinc/15/23/65/166152365.db2.gz KPIXYDQWCXBCML-UHFFFAOYSA-N 1 0 325.324 3.245 10 5 EGBERO CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000360685301 167387621 /nfs/dbraw/zinc/38/76/21/167387621.db2.gz KHVBMLZJZQHODQ-KRWDZBQOSA-N 1 0 338.404 3.061 10 5 EGBERO CC[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000175788226 265137909 /nfs/dbraw/zinc/13/79/09/265137909.db2.gz ICPXZKDAVKDKSG-WMLDXEAASA-N 1 0 348.447 3.220 10 5 EGBERO COc1cc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000277106082 267695547 /nfs/dbraw/zinc/69/55/47/267695547.db2.gz MJFCVIHGFUTGCQ-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO Cc1cc(N2CC=C(c3ccnn3C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286715868 276036143 /nfs/dbraw/zinc/03/61/43/276036143.db2.gz ZOHSEJPYYWLVGI-UHFFFAOYSA-N 1 0 349.394 3.479 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)cn1 ZINC000414120111 309062235 /nfs/dbraw/zinc/06/22/35/309062235.db2.gz APUDPSCVNUBXPV-CYBMUJFWSA-N 1 0 334.445 3.031 10 5 EGBERO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1 ZINC000292918187 308079905 /nfs/dbraw/zinc/07/99/05/308079905.db2.gz HYEDRRKEIDTLKK-UHFFFAOYSA-N 1 0 325.290 3.341 10 5 EGBERO Cc1cccnc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000295124907 308294324 /nfs/dbraw/zinc/29/43/24/308294324.db2.gz XSLQSFRGIAQREV-UHFFFAOYSA-N 1 0 337.326 3.232 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc2)c1 ZINC000305848520 308762341 /nfs/dbraw/zinc/76/23/41/308762341.db2.gz UDFRAHYKQRGOPI-QXAKKESOSA-N 1 0 326.396 3.435 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000411042210 308924266 /nfs/dbraw/zinc/92/42/66/308924266.db2.gz DJOBQIHXRIHZCB-UHFFFAOYSA-N 1 0 341.839 3.407 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415702276 309141409 /nfs/dbraw/zinc/14/14/09/309141409.db2.gz PQIQXUPPQUBHTK-QGZVFWFLSA-N 1 0 334.420 3.141 10 5 EGBERO C[NH2+]Cc1ccccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000415898001 309146764 /nfs/dbraw/zinc/14/67/64/309146764.db2.gz GUIKRENHVSQGKB-UHFFFAOYSA-N 1 0 342.399 3.371 10 5 EGBERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000418234738 309240518 /nfs/dbraw/zinc/24/05/18/309240518.db2.gz QVOKJLHWVNELOJ-STQMWFEESA-N 1 0 342.399 3.175 10 5 EGBERO COc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[NH2+]2)cc1 ZINC000422948227 309377469 /nfs/dbraw/zinc/37/74/69/309377469.db2.gz QYDAFIZRTHYFFK-HKUYNNGSSA-N 1 0 341.411 3.186 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](N[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2)c1 ZINC000423480177 309401808 /nfs/dbraw/zinc/40/18/08/309401808.db2.gz NCPVLRVIFJHDPW-IAGOWNOFSA-N 1 0 347.365 3.271 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433189251 309681315 /nfs/dbraw/zinc/68/13/15/309681315.db2.gz DRLRJVQMFWWLIX-UHFFFAOYSA-N 1 0 334.416 3.026 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCCOC(C)C)CC1 ZINC000449721040 310082412 /nfs/dbraw/zinc/08/24/12/310082412.db2.gz BLIWDXUWPDKHFD-UHFFFAOYSA-N 1 0 336.432 3.309 10 5 EGBERO Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C(F)F)n1 ZINC000517064559 312361603 /nfs/dbraw/zinc/36/16/03/312361603.db2.gz AQDLPVBAZBSVIS-UHFFFAOYSA-N 1 0 349.341 3.080 10 5 EGBERO C[C@H]([NH2+]CCOCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000539277435 314304115 /nfs/dbraw/zinc/30/41/15/314304115.db2.gz UOURBVHSWKIUPG-HNNXBMFYSA-N 1 0 330.384 3.341 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000540706743 314398380 /nfs/dbraw/zinc/39/83/80/314398380.db2.gz GYDURWPDDIUGNQ-DZGCQCFKSA-N 1 0 328.368 3.394 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000541935691 314507226 /nfs/dbraw/zinc/50/72/26/314507226.db2.gz AITWOCPOOPEHRG-UHFFFAOYSA-N 1 0 340.427 3.237 10 5 EGBERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000553363893 315260328 /nfs/dbraw/zinc/26/03/28/315260328.db2.gz VVEYBNFGEFYSME-CJNGLKHVSA-N 1 0 326.400 3.206 10 5 EGBERO CCC[NH+]1CCC(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000572212622 317305544 /nfs/dbraw/zinc/30/55/44/317305544.db2.gz PCKDBRYYJCUOSD-UHFFFAOYSA-N 1 0 328.416 3.099 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000181812959 323506350 /nfs/dbraw/zinc/50/63/50/323506350.db2.gz DWJNJYWKQIFYRH-LLVKDONJSA-N 1 0 349.337 3.471 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189598745 455222235 /nfs/dbraw/zinc/22/22/35/455222235.db2.gz GCVCODXIAQBCAU-UKRRQHHQSA-N 1 0 346.349 3.476 10 5 EGBERO C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600707486 460574385 /nfs/dbraw/zinc/57/43/85/460574385.db2.gz BEEPZFNIJVJBEZ-LSBZLQRGSA-N 1 0 325.412 3.414 10 5 EGBERO C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600707484 460575035 /nfs/dbraw/zinc/57/50/35/460575035.db2.gz BEEPZFNIJVJBEZ-LJHODMEESA-N 1 0 325.412 3.414 10 5 EGBERO COc1ccc(-c2ccc(CN[C@@H]3CC[C@@H](C)[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000600771706 460597253 /nfs/dbraw/zinc/59/72/53/460597253.db2.gz AJDMTTXJRWCVSY-CHWSQXEVSA-N 1 0 345.399 3.094 10 5 EGBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022747 453956594 /nfs/dbraw/zinc/95/65/94/453956594.db2.gz LMJBWZMPCZMHRM-ZDUSSCGKSA-N 1 0 345.374 3.235 10 5 EGBERO CSCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000076764848 454034815 /nfs/dbraw/zinc/03/48/15/454034815.db2.gz LDLAZQHFTSPXQX-UHFFFAOYSA-N 1 0 334.445 3.228 10 5 EGBERO Cc1c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000089640773 454171710 /nfs/dbraw/zinc/17/17/10/454171710.db2.gz MFDQCTYJPGQOQB-CYBMUJFWSA-N 1 0 347.440 3.435 10 5 EGBERO C[C@@H]1C[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908025 454232056 /nfs/dbraw/zinc/23/20/56/454232056.db2.gz QKPOGSJDFQUVAQ-CXAGYDPISA-N 1 0 344.415 3.164 10 5 EGBERO CN1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1=O ZINC000119894996 454233787 /nfs/dbraw/zinc/23/37/87/454233787.db2.gz ZGLBQHSPLAILDC-CYBMUJFWSA-N 1 0 345.424 3.034 10 5 EGBERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000072059019 454270652 /nfs/dbraw/zinc/27/06/52/454270652.db2.gz UCKWDXMUCZFMBF-OAHLLOKOSA-N 1 0 342.395 3.406 10 5 EGBERO C[C@H]1CCN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000078689478 454300265 /nfs/dbraw/zinc/30/02/65/454300265.db2.gz SOQBWOYFRAGBTA-HNNXBMFYSA-N 1 0 326.400 3.091 10 5 EGBERO CC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090689789 454336942 /nfs/dbraw/zinc/33/69/42/454336942.db2.gz NHJDDIOBAYGGBQ-INIZCTEOSA-N 1 0 336.436 3.028 10 5 EGBERO C[NH+](C)C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000091669275 454455691 /nfs/dbraw/zinc/45/56/91/454455691.db2.gz ZMERJOGVYFWXLR-UHFFFAOYSA-N 1 0 346.456 3.244 10 5 EGBERO Cn1nccc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102421713 454504098 /nfs/dbraw/zinc/50/40/98/454504098.db2.gz PIBCBTCEVDTIJU-UHFFFAOYSA-N 1 0 328.397 3.347 10 5 EGBERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000106207141 454684225 /nfs/dbraw/zinc/68/42/25/454684225.db2.gz COUVITVJUYDCGC-KRWDZBQOSA-N 1 0 344.415 3.161 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166594016 454913329 /nfs/dbraw/zinc/91/33/29/454913329.db2.gz UYPVFJSTCOHEFK-QAPCUYQASA-N 1 0 343.431 3.038 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152406367 455114046 /nfs/dbraw/zinc/11/40/46/455114046.db2.gz IUFYQUSJYJQXMN-ZFWWWQNUSA-N 1 0 341.415 3.462 10 5 EGBERO Cc1c(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152488482 455126018 /nfs/dbraw/zinc/12/60/18/455126018.db2.gz BJYXYCMVWCGOBU-OAHLLOKOSA-N 1 0 341.415 3.209 10 5 EGBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000181515388 455347427 /nfs/dbraw/zinc/34/74/27/455347427.db2.gz SVTGFSTWPHXMMB-VIFPVBQESA-N 1 0 329.187 3.449 10 5 EGBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000181515411 455347694 /nfs/dbraw/zinc/34/76/94/455347694.db2.gz SVTGFSTWPHXMMB-SECBINFHSA-N 1 0 329.187 3.449 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)NCc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181541291 455352588 /nfs/dbraw/zinc/35/25/88/455352588.db2.gz ITGDOHBVFHTHFJ-GOSISDBHSA-N 1 0 341.411 3.260 10 5 EGBERO CC[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245881032 455390974 /nfs/dbraw/zinc/39/09/74/455390974.db2.gz NRIRXVLKENMADS-XOKHGSTOSA-N 1 0 333.432 3.330 10 5 EGBERO Cc1c(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245917720 455398392 /nfs/dbraw/zinc/39/83/92/455398392.db2.gz SDIATDYJUZHUFX-HOTGVXAUSA-N 1 0 336.457 3.390 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000182444881 455515426 /nfs/dbraw/zinc/51/54/26/455515426.db2.gz RVYNJOTZINLACV-HIFRSBDPSA-N 1 0 348.374 3.133 10 5 EGBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277886827 455698025 /nfs/dbraw/zinc/69/80/25/455698025.db2.gz CZQFTNOLARPOBT-CYBMUJFWSA-N 1 0 339.823 3.161 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000301750354 456205269 /nfs/dbraw/zinc/20/52/69/456205269.db2.gz ALLHJXUTCOVCSD-LBPRGKRZSA-N 1 0 337.395 3.196 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)nc1-c1ccccc1 ZINC000301896084 456245177 /nfs/dbraw/zinc/24/51/77/456245177.db2.gz YXHPPIZZVCKBFV-INIZCTEOSA-N 1 0 338.411 3.331 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000301954674 456258719 /nfs/dbraw/zinc/25/87/19/456258719.db2.gz KQBXUVOGXZQECX-WCQYABFASA-N 1 0 343.374 3.363 10 5 EGBERO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000302116845 456291100 /nfs/dbraw/zinc/29/11/00/456291100.db2.gz CITBBCYZXSJYLA-IXDOHACOSA-N 1 0 338.411 3.312 10 5 EGBERO COc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000302816867 456408052 /nfs/dbraw/zinc/40/80/52/456408052.db2.gz IPHJWINZFNZSLH-MAUKXSAKSA-N 1 0 327.384 3.461 10 5 EGBERO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)O1 ZINC000601150441 460733135 /nfs/dbraw/zinc/73/31/35/460733135.db2.gz ZZKJDXHFOCXNKF-ZETOZRRWSA-N 1 0 333.413 3.374 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000276540790 456511198 /nfs/dbraw/zinc/51/11/98/456511198.db2.gz GBYAZZZDIUCPOW-LLVKDONJSA-N 1 0 339.823 3.018 10 5 EGBERO COC(=O)C[C@](C)(NCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000353140294 456516218 /nfs/dbraw/zinc/51/62/18/456516218.db2.gz AWSYIFFTEYXMDR-SFHVURJKSA-N 1 0 346.358 3.302 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340535265 456516891 /nfs/dbraw/zinc/51/68/91/456516891.db2.gz SSYCUOLSIJYHNI-WNRNVDISSA-N 1 0 344.415 3.251 10 5 EGBERO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000348302483 456607209 /nfs/dbraw/zinc/60/72/09/456607209.db2.gz ATLNYZGVGUHGSU-LBPRGKRZSA-N 1 0 333.388 3.061 10 5 EGBERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000353904078 456959109 /nfs/dbraw/zinc/95/91/09/456959109.db2.gz REAFKRMAXINPMM-KRWDZBQOSA-N 1 0 347.459 3.298 10 5 EGBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339677325 457207538 /nfs/dbraw/zinc/20/75/38/457207538.db2.gz HFPULTGZEDVIMQ-GFCCVEGCSA-N 1 0 347.337 3.136 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000360084967 457247158 /nfs/dbraw/zinc/24/71/58/457247158.db2.gz NNKCGNJHCJFMOC-UHFFFAOYSA-N 1 0 345.374 3.034 10 5 EGBERO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000342344485 457248507 /nfs/dbraw/zinc/24/85/07/457248507.db2.gz NXBOMMQCPQMLGX-INIZCTEOSA-N 1 0 332.404 3.214 10 5 EGBERO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347356802 457371281 /nfs/dbraw/zinc/37/12/81/457371281.db2.gz XKGVBPCBMLDGAV-SJKOYZFVSA-N 1 0 340.383 3.058 10 5 EGBERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCC2 ZINC000352526295 457439972 /nfs/dbraw/zinc/43/99/72/457439972.db2.gz MEHVHYOJNGLVBX-IAGOWNOFSA-N 1 0 334.416 3.383 10 5 EGBERO O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433064379 457656692 /nfs/dbraw/zinc/65/66/92/457656692.db2.gz AQBZNVHXMKRHNN-QIMFLAQGSA-N 1 0 337.807 3.355 10 5 EGBERO CC[C@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358163386 457827873 /nfs/dbraw/zinc/82/78/73/457827873.db2.gz MMLGZUZJUHLYAU-CJNGLKHVSA-N 1 0 336.436 3.074 10 5 EGBERO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCCO1 ZINC000444662895 457931508 /nfs/dbraw/zinc/93/15/08/457931508.db2.gz XCICUBMZXXIWDU-CQSZACIVSA-N 1 0 332.404 3.252 10 5 EGBERO COCC[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680068 457937427 /nfs/dbraw/zinc/93/74/27/457937427.db2.gz DEORCFFPRJUUJU-ZDUSSCGKSA-N 1 0 332.404 3.110 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412042197 458062061 /nfs/dbraw/zinc/06/20/61/458062061.db2.gz MHJYPXHAFJSDLJ-GFCCVEGCSA-N 1 0 335.404 3.052 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)nc1-c1ccc(F)cc1 ZINC000362366731 458129547 /nfs/dbraw/zinc/12/95/47/458129547.db2.gz WWHBRWLBIWHEKS-UHFFFAOYSA-N 1 0 342.374 3.080 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)s2)cc1 ZINC000428378640 458131655 /nfs/dbraw/zinc/13/16/55/458131655.db2.gz UWLBBNRAEMYNSK-MRXNPFEDSA-N 1 0 330.409 3.280 10 5 EGBERO COc1ccc(OCC[N@H+](C)CCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000441224329 458902598 /nfs/dbraw/zinc/90/25/98/458902598.db2.gz CDDZRRDSIOJXAN-UHFFFAOYSA-N 1 0 348.374 3.296 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000477173286 459034045 /nfs/dbraw/zinc/03/40/45/459034045.db2.gz XNCTZMGMIFLCIO-HNNXBMFYSA-N 1 0 332.448 3.471 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC3(CCCC3)O2)n1 ZINC000594521404 459078511 /nfs/dbraw/zinc/07/85/11/459078511.db2.gz UUCPRRCRGIDPLX-ARFHVFGLSA-N 1 0 348.447 3.356 10 5 EGBERO C[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592564 459101625 /nfs/dbraw/zinc/10/16/25/459101625.db2.gz RNFBNKQQURSWTC-MELADBBJSA-N 1 0 344.415 3.053 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H](CO)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000594957199 459191979 /nfs/dbraw/zinc/19/19/79/459191979.db2.gz PPNHGHBDZPRGSU-MRXNPFEDSA-N 1 0 346.383 3.114 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)c1ccccn1 ZINC000595048779 459227909 /nfs/dbraw/zinc/22/79/09/459227909.db2.gz NDNWBNILEJDPPL-ZIAGYGMSSA-N 1 0 342.399 3.100 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000595052504 459228723 /nfs/dbraw/zinc/22/87/23/459228723.db2.gz YFIZKHFDOYLLTQ-LBPRGKRZSA-N 1 0 330.306 3.415 10 5 EGBERO COC[C@@H](CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000595061114 459231437 /nfs/dbraw/zinc/23/14/37/459231437.db2.gz PEEDLNINADMXNG-MOPGFXCFSA-N 1 0 344.411 3.325 10 5 EGBERO CC[C@H]([NH2+]Cc1ccc(CNC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595063045 459233045 /nfs/dbraw/zinc/23/30/45/459233045.db2.gz ZKPRKSHPADOLTE-IBGZPJMESA-N 1 0 341.411 3.472 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595062691 459233208 /nfs/dbraw/zinc/23/32/08/459233208.db2.gz OBXUACNNSVPSEK-LJIGWXMPSA-N 1 0 336.432 3.120 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595092733 459242265 /nfs/dbraw/zinc/24/22/65/459242265.db2.gz ZVKGGKCQUKDPJW-PLYYQAHHSA-N 1 0 330.428 3.199 10 5 EGBERO NC(=O)CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595100356 459245150 /nfs/dbraw/zinc/24/51/50/459245150.db2.gz SWLQSLJEUIHNKN-QGZVFWFLSA-N 1 0 345.443 3.388 10 5 EGBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591150942 459323517 /nfs/dbraw/zinc/32/35/17/459323517.db2.gz XRTCWVAMNDUGEY-AWEZNQCLSA-N 1 0 344.390 3.230 10 5 EGBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595756821 459427409 /nfs/dbraw/zinc/42/74/09/459427409.db2.gz XKHOLFGVDJWYNA-CQSZACIVSA-N 1 0 337.395 3.303 10 5 EGBERO CC(C)c1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892021 459470290 /nfs/dbraw/zinc/47/02/90/459470290.db2.gz OXFPLKUNZMDCSE-DOTOQJQBSA-N 1 0 345.443 3.322 10 5 EGBERO COc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596097210 459520440 /nfs/dbraw/zinc/52/04/40/459520440.db2.gz CWOIPXYLNVWFJK-LLVKDONJSA-N 1 0 327.812 3.224 10 5 EGBERO Cc1c(Cl)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)nn1C ZINC000583493399 459548302 /nfs/dbraw/zinc/54/83/02/459548302.db2.gz HZHYFMZFYRNZSE-UHFFFAOYSA-N 1 0 347.806 3.104 10 5 EGBERO CC(C)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000592396641 459590969 /nfs/dbraw/zinc/59/09/69/459590969.db2.gz HWVIOJJUUWXYQC-PKOBYXMFSA-N 1 0 348.443 3.130 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000592432595 459599800 /nfs/dbraw/zinc/59/98/00/459599800.db2.gz CHICTHGNLYGITO-IBGZPJMESA-N 1 0 341.411 3.430 10 5 EGBERO CC[C@@H](NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451756 459640785 /nfs/dbraw/zinc/64/07/85/459640785.db2.gz ARMFQOINDCSRCB-IAGOWNOFSA-N 1 0 348.447 3.172 10 5 EGBERO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000544106279 459727108 /nfs/dbraw/zinc/72/71/08/459727108.db2.gz DDNMPXTYOWLNSJ-LBPRGKRZSA-N 1 0 337.807 3.475 10 5 EGBERO COCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000584412025 459731438 /nfs/dbraw/zinc/73/14/38/459731438.db2.gz TYUUXQUYJVKWEE-UHFFFAOYSA-N 1 0 330.331 3.103 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593189669 459801836 /nfs/dbraw/zinc/80/18/36/459801836.db2.gz XQNDRVXBGGOQLS-IJLUTSLNSA-N 1 0 339.823 3.110 10 5 EGBERO C[N@@H+]1CCC[C@]2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000593472953 459899716 /nfs/dbraw/zinc/89/97/16/459899716.db2.gz MKDUSCUIXHEFTM-SFHVURJKSA-N 1 0 326.400 3.065 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cccc1[N+](=O)[O-] ZINC000593725621 459965695 /nfs/dbraw/zinc/96/56/95/459965695.db2.gz SSOIFGKIYNTDKX-XJKSGUPXSA-N 1 0 341.411 3.330 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000609707982 460009321 /nfs/dbraw/zinc/00/93/21/460009321.db2.gz TVSMHGWDHHUIRO-LLVKDONJSA-N 1 0 334.372 3.112 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594040574 460069480 /nfs/dbraw/zinc/06/94/80/460069480.db2.gz HABQOAVOMZCLAO-RDJZCZTQSA-N 1 0 349.431 3.169 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000589349844 460077419 /nfs/dbraw/zinc/07/74/19/460077419.db2.gz TZFGAOIOCNCGIP-CHWSQXEVSA-N 1 0 346.456 3.336 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C)(C3CC3)CC2)c1 ZINC000589520509 460098660 /nfs/dbraw/zinc/09/86/60/460098660.db2.gz BWKJUPZRMDSDRB-UHFFFAOYSA-N 1 0 332.400 3.394 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000599055024 460142830 /nfs/dbraw/zinc/14/28/30/460142830.db2.gz FECKKWMMILYXRT-OCCSQVGLSA-N 1 0 340.305 3.172 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599077890 460153468 /nfs/dbraw/zinc/15/34/68/460153468.db2.gz AJKISBVCYWYAKR-AWEZNQCLSA-N 1 0 333.432 3.202 10 5 EGBERO Cc1cnc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610468826 460158534 /nfs/dbraw/zinc/15/85/34/460158534.db2.gz HCDJJMDUAUCOIU-MRXNPFEDSA-N 1 0 340.427 3.399 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC12CC2 ZINC000599093062 460159235 /nfs/dbraw/zinc/15/92/35/460159235.db2.gz UQHFHKMBVUPXCG-KBPBESRZSA-N 1 0 331.416 3.482 10 5 EGBERO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156402 460181525 /nfs/dbraw/zinc/18/15/25/460181525.db2.gz BNZCBJXRAGQLCD-YOEHRIQHSA-N 1 0 348.447 3.077 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000611517019 460384232 /nfs/dbraw/zinc/38/42/32/460384232.db2.gz BLYMBWHUJJFSJJ-ZBFHGGJFSA-N 1 0 334.416 3.242 10 5 EGBERO CN1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518739 460385692 /nfs/dbraw/zinc/38/56/92/460385692.db2.gz MVQPNVQESIBWNH-MJGOQNOKSA-N 1 0 325.412 3.368 10 5 EGBERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000604540749 460443896 /nfs/dbraw/zinc/44/38/96/460443896.db2.gz ORBSQFOFEUFKPQ-OAHLLOKOSA-N 1 0 342.395 3.406 10 5 EGBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059649 460461683 /nfs/dbraw/zinc/46/16/83/460461683.db2.gz BRDVYTIBVKHBSB-UKRRQHHQSA-N 1 0 326.400 3.206 10 5 EGBERO C[NH+]1CCC(n2cc(Nc3ccc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000601224850 460756062 /nfs/dbraw/zinc/75/60/62/460756062.db2.gz BUCRCENEHUKJQU-UHFFFAOYSA-N 1 0 335.795 3.455 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601556728 460831060 /nfs/dbraw/zinc/83/10/60/460831060.db2.gz GPUYFYHFWNSDLG-CYBMUJFWSA-N 1 0 334.420 3.111 10 5 EGBERO COc1cc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925202 536806337 /nfs/dbraw/zinc/80/63/37/536806337.db2.gz GSLDTBJJIAQUNC-GOEBONIOSA-N 1 0 347.459 3.346 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000727094965 574647982 /nfs/dbraw/zinc/64/79/82/574647982.db2.gz PTOONSRIWKTCPG-UHFFFAOYSA-N 1 0 343.730 3.081 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000132174497 1293711279 /nfs/dbraw/zinc/71/12/79/1293711279.db2.gz YTSGUSINGCGNLN-QGZVFWFLSA-N 1 0 332.787 3.172 10 5 EGBERO CC[C@H](C[NH+](C)C)OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870550485 1295936439 /nfs/dbraw/zinc/93/64/39/1295936439.db2.gz GQWYDZCRPYEYQZ-CYBMUJFWSA-N 1 0 349.412 3.215 10 5 EGBERO COc1cccc(C(=O)O[C@H](C)C[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000870784716 1296077826 /nfs/dbraw/zinc/07/78/26/1296077826.db2.gz JZEOOYSAPOOVAN-OLZOCXBDSA-N 1 0 336.388 3.023 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000871356643 1296365992 /nfs/dbraw/zinc/36/59/92/1296365992.db2.gz SMNSBPFVHIZSTH-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871361802 1296370783 /nfs/dbraw/zinc/37/07/83/1296370783.db2.gz FYRLTPCYDUEZQI-UHFFFAOYSA-N 1 0 333.432 3.204 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784606 1296530268 /nfs/dbraw/zinc/53/02/68/1296530268.db2.gz IHMVIFZWAFRWDQ-FFHGMXDLSA-N 1 0 346.431 3.335 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784605 1296530466 /nfs/dbraw/zinc/53/04/66/1296530466.db2.gz IHMVIFZWAFRWDQ-AVOUXACISA-N 1 0 346.431 3.335 10 5 EGBERO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000872020703 1296663649 /nfs/dbraw/zinc/66/36/49/1296663649.db2.gz JJORWMZHYABKDK-ZWNOBZJWSA-N 1 0 330.363 3.040 10 5 EGBERO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872022371 1296666167 /nfs/dbraw/zinc/66/61/67/1296666167.db2.gz YEDITTXHYVXOFX-ZBEGNZNMSA-N 1 0 334.347 3.127 10 5 EGBERO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029186 1296677957 /nfs/dbraw/zinc/67/79/57/1296677957.db2.gz OTNVEOXCCBEZOU-UWVGGRQHSA-N 1 0 335.301 3.021 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872036839 1296687270 /nfs/dbraw/zinc/68/72/70/1296687270.db2.gz ZZDFFRCKSSRVKG-RWMBFGLXSA-N 1 0 337.395 3.032 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062952 1296709403 /nfs/dbraw/zinc/70/94/03/1296709403.db2.gz RHKPJYKTIRDYLM-HIFRSBDPSA-N 1 0 332.375 3.378 10 5 EGBERO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068766 1296714747 /nfs/dbraw/zinc/71/47/47/1296714747.db2.gz IGLXGSSXTKEZOY-ZFWWWQNUSA-N 1 0 332.375 3.378 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084783 1296723596 /nfs/dbraw/zinc/72/35/96/1296723596.db2.gz KRGRMLQVHIHEMQ-OOFQDAHKSA-N 1 0 328.409 3.074 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000872129815 1296754804 /nfs/dbraw/zinc/75/48/04/1296754804.db2.gz WDTKQAOENMNFFT-LSDHHAIUSA-N 1 0 333.432 3.427 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCN2C2CCCCCC2)c1 ZINC000872236973 1296835468 /nfs/dbraw/zinc/83/54/68/1296835468.db2.gz XZVVDFRPFWKQLR-RBUKOAKNSA-N 1 0 347.459 3.015 10 5 EGBERO CC[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000875348177 1298304264 /nfs/dbraw/zinc/30/42/64/1298304264.db2.gz FTFWBKJQRJIBPY-MRXNPFEDSA-N 1 0 348.447 3.172 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000886234695 1303407331 /nfs/dbraw/zinc/40/73/31/1303407331.db2.gz TZZAGMGTLFODBX-CQSZACIVSA-N 1 0 338.766 3.081 10 5 EGBERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])O2)CO1 ZINC000886331074 1303436612 /nfs/dbraw/zinc/43/66/12/1303436612.db2.gz ANLQIGMSKXZPEG-DIOULYMOSA-N 1 0 340.807 3.064 10 5 EGBERO COC(=O)/C=C/c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000914786430 1319378441 /nfs/dbraw/zinc/37/84/41/1319378441.db2.gz WLBCVHDOEVMTCF-VQHVLOKHSA-N 1 0 347.415 3.069 10 5 EGBERO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917075652 1319750487 /nfs/dbraw/zinc/75/04/87/1319750487.db2.gz PVBVMTWYODKWND-STQMWFEESA-N 1 0 347.419 3.301 10 5 EGBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858841674 1328873812 /nfs/dbraw/zinc/87/38/12/1328873812.db2.gz HIYAQPWKPXQEIA-CQSZACIVSA-N 1 0 341.411 3.208 10 5 EGBERO CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923425497 1322749622 /nfs/dbraw/zinc/74/96/22/1322749622.db2.gz GSPFFBVJTXCIQR-IAGOWNOFSA-N 1 0 327.384 3.163 10 5 EGBERO CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923425495 1322749824 /nfs/dbraw/zinc/74/98/24/1322749824.db2.gz GSPFFBVJTXCIQR-DLBZAZTESA-N 1 0 327.384 3.163 10 5 EGBERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859715831 1329062279 /nfs/dbraw/zinc/06/22/79/1329062279.db2.gz QGZJGQZMOBEJFZ-HNNXBMFYSA-N 1 0 341.411 3.304 10 5 EGBERO CCC[NH+]1CCC(Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000931376013 1329106445 /nfs/dbraw/zinc/10/64/45/1329106445.db2.gz WMTHLFOUULUARE-FNORWQNLSA-N 1 0 347.415 3.067 10 5 EGBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1C ZINC000860501130 1329324738 /nfs/dbraw/zinc/32/47/38/1329324738.db2.gz MWDKCVAYDRFDOS-KBPBESRZSA-N 1 0 341.411 3.303 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000927070366 1327839905 /nfs/dbraw/zinc/83/99/05/1327839905.db2.gz ZMUBPQRMLCLFID-HNJNHCNJSA-N 1 0 336.407 3.460 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000928013447 1328173337 /nfs/dbraw/zinc/17/33/37/1328173337.db2.gz PXXZEBBYEXVAPX-UHFFFAOYSA-N 1 0 345.443 3.051 10 5 EGBERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861490339 1329421772 /nfs/dbraw/zinc/42/17/72/1329421772.db2.gz WODQIIZBTDZBRI-OAHLLOKOSA-N 1 0 341.411 3.304 10 5 EGBERO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000861942916 1329452157 /nfs/dbraw/zinc/45/21/57/1329452157.db2.gz ZARGBAPGTXJPPM-UHFFFAOYSA-N 1 0 341.411 3.352 10 5 EGBERO CCOC(=O)C1=CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000862488169 1329491496 /nfs/dbraw/zinc/49/14/96/1329491496.db2.gz CLMMNXGLOFIHMD-LRFDDAOPSA-N 1 0 330.384 3.240 10 5 EGBERO O=[N+]([O-])c1cc2ccccc2c(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000863655015 1329571292 /nfs/dbraw/zinc/57/12/92/1329571292.db2.gz XBXZGDYZUKYUAS-UHFFFAOYSA-N 1 0 338.367 3.340 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)o1 ZINC000865691649 1329729753 /nfs/dbraw/zinc/72/97/53/1329729753.db2.gz CXQYZMCIHQZRCU-NWUWWPBGSA-N 1 0 340.379 3.368 10 5 EGBERO C[NH+]1CCC2(CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)CC1 ZINC000866055475 1330060565 /nfs/dbraw/zinc/06/05/65/1330060565.db2.gz XBWMYTYGKMJGNR-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866209726 1330078846 /nfs/dbraw/zinc/07/88/46/1330078846.db2.gz VLPHAIOLZQKIFE-GXFFZTMASA-N 1 0 329.322 3.144 10 5 EGBERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866303412 1330093473 /nfs/dbraw/zinc/09/34/73/1330093473.db2.gz SFUBHQJFMYTYEY-SMDDNHRTSA-N 1 0 338.404 3.358 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000866350422 1330100586 /nfs/dbraw/zinc/10/05/86/1330100586.db2.gz BDPWWDUAIINWLT-IGEOTXOUSA-N 1 0 335.423 3.271 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCCS1 ZINC000866477688 1330117122 /nfs/dbraw/zinc/11/71/22/1330117122.db2.gz ALPQIXFVEJHDLI-SWLSCSKDSA-N 1 0 337.445 3.187 10 5 EGBERO CC(C)C(C)(C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323440441 1387369650 /nfs/dbraw/zinc/36/96/50/1387369650.db2.gz ANHHMULFZIQBRP-UHFFFAOYSA-N 1 0 333.432 3.015 10 5 EGBERO CC[C@@H](C)[N@@H+](CCc1ccccc1F)CCn1cc([N+](=O)[O-])cn1 ZINC001190615667 1367309353 /nfs/dbraw/zinc/30/93/53/1367309353.db2.gz HJZSUIZRLXMYEO-CQSZACIVSA-N 1 0 334.395 3.274 10 5 EGBERO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001193703345 1368099572 /nfs/dbraw/zinc/09/95/72/1368099572.db2.gz FJAGZIOKLMVQDV-LBPRGKRZSA-N 1 0 326.805 3.441 10 5 EGBERO CC1CC[NH+](CC[C@@H]2CCCN2Cc2cccnc2[N+](=O)[O-])CC1 ZINC001196944386 1368718888 /nfs/dbraw/zinc/71/88/88/1368718888.db2.gz WCAWKPXUSDVCBY-KRWDZBQOSA-N 1 0 332.448 3.076 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(F)c1 ZINC001197683156 1368872973 /nfs/dbraw/zinc/87/29/73/1368872973.db2.gz TWXLDBYMIIMBNE-QFBILLFUSA-N 1 0 342.370 3.134 10 5 EGBERO C/C(=C\c1ccccc1)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001203372283 1370102702 /nfs/dbraw/zinc/10/27/02/1370102702.db2.gz GXVTWZLIPBGZOO-LSSBLYJVSA-N 1 0 326.396 3.495 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001117627052 1371056945 /nfs/dbraw/zinc/05/69/45/1371056945.db2.gz WJZFMVRHQAJZLK-WMZOPIPTSA-N 1 0 347.365 3.408 10 5 EGBERO CCCC[N@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001136725920 1377418363 /nfs/dbraw/zinc/41/83/63/1377418363.db2.gz GRYVBVXKHMITOF-UHFFFAOYSA-N 1 0 341.839 3.029 10 5 EGBERO CCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001283080902 1378727668 /nfs/dbraw/zinc/72/76/68/1378727668.db2.gz UJFYEQLMQUXCKC-SHTZXODSSA-N 1 0 333.432 3.015 10 5 EGBERO CC1CC[NH+]([C@@H](CNc2c([N+](=O)[O-])cnn2C)c2cccs2)CC1 ZINC001306908566 1383918896 /nfs/dbraw/zinc/91/88/96/1383918896.db2.gz JNZAGEZQJQCGLZ-ZDUSSCGKSA-N 1 0 349.460 3.275 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC001307164013 1383948494 /nfs/dbraw/zinc/94/84/94/1383948494.db2.gz KHGCKSULRLZNAK-CYBMUJFWSA-N 1 0 349.431 3.365 10 5 EGBERO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001307834076 1384039855 /nfs/dbraw/zinc/03/98/55/1384039855.db2.gz CEPDFVWUGCBMKK-ZIAGYGMSSA-N 1 0 343.221 3.405 10 5 EGBERO C[C@@](CO)([NH2+]CCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001308000077 1384072081 /nfs/dbraw/zinc/07/20/81/1384072081.db2.gz QMCTWZLUKPGSSH-IBGZPJMESA-N 1 0 328.412 3.415 10 5 EGBERO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001308062848 1384083391 /nfs/dbraw/zinc/08/33/91/1384083391.db2.gz WZADEOLNRBJYDW-GFCCVEGCSA-N 1 0 331.347 3.332 10 5 EGBERO COC(=O)[C@@H]1CCCC[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665704 1384170670 /nfs/dbraw/zinc/17/06/70/1384170670.db2.gz FIJABZKZZMDRJV-DOTOQJQBSA-N 1 0 334.416 3.049 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCC34CCOCC4)CC2)n1 ZINC001169934231 1384200564 /nfs/dbraw/zinc/20/05/64/1384200564.db2.gz YNQRTQMLVVKCSL-HNNXBMFYSA-N 1 0 348.447 3.025 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C12CCCC2 ZINC001170103740 1384236581 /nfs/dbraw/zinc/23/65/81/1384236581.db2.gz AQRGWQUASJINHN-DLBZAZTESA-N 1 0 334.416 3.431 10 5 EGBERO C[N@H+](CCCNC(=O)C12CCC(CC1)C2)Cc1ccccc1[N+](=O)[O-] ZINC001316836532 1384626939 /nfs/dbraw/zinc/62/69/39/1384626939.db2.gz YVKCKQDSLNIIJE-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c1 ZINC001176650412 1385646613 /nfs/dbraw/zinc/64/66/13/1385646613.db2.gz SMDOETORLCFKJH-YJBOKZPZSA-N 1 0 344.411 3.392 10 5 EGBERO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c[nH+]cn3c2)c1 ZINC001179303993 1386444284 /nfs/dbraw/zinc/44/42/84/1386444284.db2.gz MDQVLJUTGPVYCX-UHFFFAOYSA-N 1 0 328.353 3.217 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1 ZINC001329581093 1389166119 /nfs/dbraw/zinc/16/61/19/1389166119.db2.gz CUGRHCIGQGMMJI-KBPBESRZSA-N 1 0 338.429 3.097 10 5 EGBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ccco1 ZINC001698793208 1406457312 /nfs/dbraw/zinc/45/73/12/1406457312.db2.gz GDACBNSBTNRKTM-UHFFFAOYSA-N 1 0 349.412 3.082 10 5 EGBERO Cc1cc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001347890130 1391141941 /nfs/dbraw/zinc/14/19/41/1391141941.db2.gz MNZVJELKXOYVAE-SQWLQELKSA-N 1 0 346.431 3.097 10 5 EGBERO O=C(CC1CC1)NCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001482037377 1394698479 /nfs/dbraw/zinc/69/84/79/1394698479.db2.gz WYJWUYIXRLTRPW-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO Cc1sccc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001689801450 1404143642 /nfs/dbraw/zinc/14/36/42/1404143642.db2.gz MSBWTNMGSNFENC-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC[N@H+](CCCNC(=O)c1ccoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713006359 1417560398 /nfs/dbraw/zinc/56/03/98/1417560398.db2.gz XLBBNHIJWWZBAA-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC001714787147 1419508743 /nfs/dbraw/zinc/50/87/43/1419508743.db2.gz RDIXJDKSKYEVJJ-UHFFFAOYSA-N 1 0 347.802 3.110 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)oc1C ZINC001716206209 1420565921 /nfs/dbraw/zinc/56/59/21/1420565921.db2.gz YVMVITPSJUMOKF-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO C/C=C(/C)C(=O)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001717947598 1421713760 /nfs/dbraw/zinc/71/37/60/1421713760.db2.gz LOFWIQXWFUNLSN-UUASQNMZSA-N 1 0 333.432 3.230 10 5 EGBERO Cc1csc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001723016189 1424288682 /nfs/dbraw/zinc/28/86/82/1424288682.db2.gz YNTHUNBVHOVQGV-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001731477769 1427454824 /nfs/dbraw/zinc/45/48/24/1427454824.db2.gz QWFCXYZVOCQYMU-GASCZTMLSA-N 1 0 333.432 3.014 10 5 EGBERO CCc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001731979385 1428193872 /nfs/dbraw/zinc/19/38/72/1428193872.db2.gz GPDSYMYUMAFKCO-UHFFFAOYSA-N 1 0 341.411 3.019 10 5 EGBERO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001733713818 1429931729 /nfs/dbraw/zinc/93/17/29/1429931729.db2.gz PONSIXVBADIJDS-VGOFMYFVSA-N 1 0 331.416 3.080 10 5 EGBERO CC(C)CCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001734266169 1437983239 /nfs/dbraw/zinc/98/32/39/1437983239.db2.gz RYACTTDCEPHOGT-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000052469321 214130107 /nfs/dbraw/zinc/13/01/07/214130107.db2.gz LLLPMDMRNQHLID-UHFFFAOYSA-N 1 0 330.363 3.205 10 5 EGBERO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132837607 223366386 /nfs/dbraw/zinc/36/63/86/223366386.db2.gz HFQYYCDKLUXYFW-DOTOQJQBSA-N 1 0 333.432 3.083 10 5 EGBERO Cn1nccc1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092810294 218169980 /nfs/dbraw/zinc/16/99/80/218169980.db2.gz KJDGSEKAQGGLGU-GQCTYLIASA-N 1 0 326.400 3.221 10 5 EGBERO CO[C@H](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000345493913 144246436 /nfs/dbraw/zinc/24/64/36/144246436.db2.gz WOBOWXJXVHFCJS-UKRRQHHQSA-N 1 0 346.349 3.473 10 5 EGBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)cc1 ZINC000191349503 153188707 /nfs/dbraw/zinc/18/87/07/153188707.db2.gz QYWLMRMXFYCPBB-KRWDZBQOSA-N 1 0 348.443 3.379 10 5 EGBERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000192709848 153254582 /nfs/dbraw/zinc/25/45/82/153254582.db2.gz BYPZFPYDKCWUIA-AWEZNQCLSA-N 1 0 341.415 3.013 10 5 EGBERO CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192711252 153255954 /nfs/dbraw/zinc/25/59/54/153255954.db2.gz NVHLNPSTPXJICV-KRWDZBQOSA-N 1 0 341.415 3.095 10 5 EGBERO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000349034491 156325934 /nfs/dbraw/zinc/32/59/34/156325934.db2.gz DGPHATQSGHPOQH-UHFFFAOYSA-N 1 0 331.416 3.368 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000126107831 162293903 /nfs/dbraw/zinc/29/39/03/162293903.db2.gz GNFVFTPUMRXWHV-CYBMUJFWSA-N 1 0 330.384 3.372 10 5 EGBERO CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053502 162388537 /nfs/dbraw/zinc/38/85/37/162388537.db2.gz MIYCCGMQXDCBOV-DOMZBBRYSA-N 1 0 329.404 3.325 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000352108655 165240823 /nfs/dbraw/zinc/24/08/23/165240823.db2.gz YMAYDYMKKDUZII-IEBWSBKVSA-N 1 0 341.411 3.138 10 5 EGBERO COc1cc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000352524243 165457499 /nfs/dbraw/zinc/45/74/99/165457499.db2.gz ATAIKKGCIHHQHS-ZOBUZTSGSA-N 1 0 347.459 3.441 10 5 EGBERO C[C@H](CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)OCc1ccccc1 ZINC000355274618 166151466 /nfs/dbraw/zinc/15/14/66/166151466.db2.gz FPWRCWNUAIPIST-OAHLLOKOSA-N 1 0 341.411 3.343 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000355656702 166275355 /nfs/dbraw/zinc/27/53/55/166275355.db2.gz KKVZANMRZWOMQW-GXDHUFHOSA-N 1 0 330.384 3.394 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359557215 167191570 /nfs/dbraw/zinc/19/15/70/167191570.db2.gz MYMHYWAPLJIPQV-SCLBCKFNSA-N 1 0 347.415 3.054 10 5 EGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000122569131 222115681 /nfs/dbraw/zinc/11/56/81/222115681.db2.gz YMUYKLXYXHDTCH-ABAIWWIYSA-N 1 0 339.823 3.051 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177515816 265258995 /nfs/dbraw/zinc/25/89/95/265258995.db2.gz MWIDHZPPUCANNN-GJZGRUSLSA-N 1 0 331.416 3.354 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191341338 265900019 /nfs/dbraw/zinc/90/00/19/265900019.db2.gz YJZZYHQXLJIUAL-UHFFFAOYSA-N 1 0 348.447 3.455 10 5 EGBERO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000269659435 266335571 /nfs/dbraw/zinc/33/55/71/266335571.db2.gz PSWHASQTEACDDE-CCKFTAQKSA-N 1 0 342.395 3.090 10 5 EGBERO Cc1csc(C2([NH2+]CCOc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000274000456 267162317 /nfs/dbraw/zinc/16/23/17/267162317.db2.gz KPIULGZFZBWCHN-UHFFFAOYSA-N 1 0 333.413 3.408 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000275769449 267423468 /nfs/dbraw/zinc/42/34/68/267423468.db2.gz GSRRJKBVDKGRQZ-CHWSQXEVSA-N 1 0 339.823 3.159 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000278414262 268007305 /nfs/dbraw/zinc/00/73/05/268007305.db2.gz HWLJPNDWYSCBPW-UHFFFAOYSA-N 1 0 329.404 3.290 10 5 EGBERO CS[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275040154 275250925 /nfs/dbraw/zinc/25/09/25/275250925.db2.gz GTNJTVUPFDAVRU-IAOVAPTHSA-N 1 0 335.473 3.167 10 5 EGBERO COc1ccc(C[C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000278681838 275265211 /nfs/dbraw/zinc/26/52/11/275265211.db2.gz MEXWNFSHVQGUBJ-GFCCVEGCSA-N 1 0 340.383 3.201 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287404041 276116448 /nfs/dbraw/zinc/11/64/48/276116448.db2.gz ZCXPDZXENIIHDH-CRXRLTJJSA-N 1 0 343.427 3.083 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000090559403 307460304 /nfs/dbraw/zinc/46/03/04/307460304.db2.gz IFSUXTNIPHDWCB-UHFFFAOYSA-N 1 0 341.411 3.206 10 5 EGBERO Cc1c(F)cccc1-c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151280726 307730815 /nfs/dbraw/zinc/73/08/15/307730815.db2.gz CEWSYIUIEIIKDU-UHFFFAOYSA-N 1 0 344.346 3.289 10 5 EGBERO C[C@H](C[S@](C)=O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248482082 308004555 /nfs/dbraw/zinc/00/45/55/308004555.db2.gz IOVZOVHTCXOLFG-MBSYMSIGSA-N 1 0 332.425 3.041 10 5 EGBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[C@H](O)CC1 ZINC000294425354 308219984 /nfs/dbraw/zinc/21/99/84/308219984.db2.gz DSWXUMFXRCZMPM-AULYBMBSSA-N 1 0 332.322 3.349 10 5 EGBERO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000301898944 308720617 /nfs/dbraw/zinc/72/06/17/308720617.db2.gz XLJWGIFHASFQFC-UHFFFAOYSA-N 1 0 348.334 3.316 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415702275 309141333 /nfs/dbraw/zinc/14/13/33/309141333.db2.gz PQIQXUPPQUBHTK-KRWDZBQOSA-N 1 0 334.420 3.141 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CCCC2 ZINC000417353843 309202659 /nfs/dbraw/zinc/20/26/59/309202659.db2.gz YFUXBIDDUWMXHH-CZUORRHYSA-N 1 0 326.400 3.233 10 5 EGBERO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000418135505 309237127 /nfs/dbraw/zinc/23/71/27/309237127.db2.gz ASSVQEXVOVZSIK-QGZVFWFLSA-N 1 0 327.384 3.342 10 5 EGBERO N[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423247151 309392228 /nfs/dbraw/zinc/39/22/28/309392228.db2.gz QCZROXMZKULOBP-QZTJIDSGSA-N 1 0 325.412 3.206 10 5 EGBERO Cn1cc(C[NH+]2CC(CC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425366210 309476440 /nfs/dbraw/zinc/47/64/40/309476440.db2.gz OSBLPDASDBCDAM-UHFFFAOYSA-N 1 0 336.342 3.082 10 5 EGBERO C[S@@](=O)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000442810391 309888086 /nfs/dbraw/zinc/88/80/86/309888086.db2.gz NFWQZJOTSLFBRD-BXKMTCNYSA-N 1 0 344.436 3.185 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc21 ZINC000447728288 309986859 /nfs/dbraw/zinc/98/68/59/309986859.db2.gz LIYXAOXWKIWWCR-OAHLLOKOSA-N 1 0 341.367 3.232 10 5 EGBERO CCCc1ncc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000449612023 310075194 /nfs/dbraw/zinc/07/51/94/310075194.db2.gz JJDWJMQZRSXPDS-LBPRGKRZSA-N 1 0 346.387 3.042 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)C2CCC2)c2ccccc2)c1 ZINC000453376357 310273719 /nfs/dbraw/zinc/27/37/19/310273719.db2.gz IEDKXURNDASMMR-RTBURBONSA-N 1 0 326.396 3.435 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1CC(F)(F)C1 ZINC000453404647 310275216 /nfs/dbraw/zinc/27/52/16/310275216.db2.gz DPFJNXMPAUZZHS-NSHDSACASA-N 1 0 341.358 3.337 10 5 EGBERO CC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)NC ZINC000453410984 310275702 /nfs/dbraw/zinc/27/57/02/310275702.db2.gz RUCPSTUEIPMPPY-YPMHNXCESA-N 1 0 347.440 3.499 10 5 EGBERO C[C@@](O)(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492044201 311211715 /nfs/dbraw/zinc/21/17/15/311211715.db2.gz OQYQKYCTNAAQOE-RBUKOAKNSA-N 1 0 326.396 3.435 10 5 EGBERO COc1cc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000492850312 311298757 /nfs/dbraw/zinc/29/87/57/311298757.db2.gz GEDXZYTVQVQAME-UGSOOPFHSA-N 1 0 342.395 3.427 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000510968493 312151834 /nfs/dbraw/zinc/15/18/34/312151834.db2.gz OWWNRGKOXMYHMJ-UHFFFAOYSA-N 1 0 333.432 3.288 10 5 EGBERO C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000538193628 314231673 /nfs/dbraw/zinc/23/16/73/314231673.db2.gz DMBBPNKAFCTKFM-CDWSIMAYSA-N 1 0 332.322 3.481 10 5 EGBERO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000554755718 315347203 /nfs/dbraw/zinc/34/72/03/315347203.db2.gz GHTRWIYBZRGTDZ-QGZVFWFLSA-N 1 0 328.416 3.355 10 5 EGBERO C[NH+](C)CCCCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560797310 315724556 /nfs/dbraw/zinc/72/45/56/315724556.db2.gz PUQZIMFEXASJAX-UHFFFAOYSA-N 1 0 344.209 3.028 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000565374039 316316637 /nfs/dbraw/zinc/31/66/37/316316637.db2.gz JQPJJFCCXWECRB-UHFFFAOYSA-N 1 0 345.443 3.236 10 5 EGBERO O=C(CC[NH2+][C@H]1C[C@H]1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000567605781 316642196 /nfs/dbraw/zinc/64/21/96/316642196.db2.gz FBQNVXSDYZNWEO-HOCLYGCPSA-N 1 0 331.416 3.482 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000568384582 316767883 /nfs/dbraw/zinc/76/78/83/316767883.db2.gz PNIDSEZOHFHIOO-QGZVFWFLSA-N 1 0 342.395 3.002 10 5 EGBERO CC(C)n1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000570963527 317133480 /nfs/dbraw/zinc/13/34/80/317133480.db2.gz KLJMYEXTOJEDNK-UHFFFAOYSA-N 1 0 327.388 3.186 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000579339688 325096154 /nfs/dbraw/zinc/09/61/54/325096154.db2.gz HSOBZUMTPAZAAD-ZDUSSCGKSA-N 1 0 328.416 3.366 10 5 EGBERO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccn(C)n1 ZINC000582987115 325485825 /nfs/dbraw/zinc/48/58/25/325485825.db2.gz IKQCJETZMZRRAI-HNNXBMFYSA-N 1 0 327.388 3.093 10 5 EGBERO O=[N+]([O-])c1cnccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000066808678 453875981 /nfs/dbraw/zinc/87/59/81/453875981.db2.gz WPEBKMVQWZXREJ-UHFFFAOYSA-N 1 0 326.400 3.109 10 5 EGBERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000068270981 454013107 /nfs/dbraw/zinc/01/31/07/454013107.db2.gz RCCDJONCKILTIR-NSHDSACASA-N 1 0 327.450 3.205 10 5 EGBERO COc1ccc([C@H](O)C[NH2+][C@H](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077311803 454089338 /nfs/dbraw/zinc/08/93/38/454089338.db2.gz DVUFPRMEKXKECP-AUUYWEPGSA-N 1 0 344.411 3.248 10 5 in-vitro EGBERO Cc1cc(C[C@@H](C)[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC000090529695 454316930 /nfs/dbraw/zinc/31/69/30/454316930.db2.gz BLCITVORFGQOFI-SJKOYZFVSA-N 1 0 328.416 3.168 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047144514 454334165 /nfs/dbraw/zinc/33/41/65/454334165.db2.gz MSGMINMWRWMBBF-LBPRGKRZSA-N 1 0 347.440 3.414 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000072802353 454343308 /nfs/dbraw/zinc/34/33/08/454343308.db2.gz IHJKCEHZDXDTHT-XJKSGUPXSA-N 1 0 328.368 3.428 10 5 EGBERO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000092656959 454602514 /nfs/dbraw/zinc/60/25/14/454602514.db2.gz XYJKUXVTPXBHHE-CMPLNLGQSA-N 1 0 329.347 3.115 10 5 EGBERO CN(c1ccncc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775085 454633318 /nfs/dbraw/zinc/63/33/18/454633318.db2.gz VWXVPCKTXCRUSA-MRXNPFEDSA-N 1 0 326.400 3.091 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=C(c3cccs3)CC2)c1 ZINC000137064513 454767426 /nfs/dbraw/zinc/76/74/26/454767426.db2.gz WOSZZIYXSRDMDJ-MRXNPFEDSA-N 1 0 330.409 3.479 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000154426591 454895701 /nfs/dbraw/zinc/89/57/01/454895701.db2.gz CPJNYCKUYRKLIY-IBGZPJMESA-N 1 0 348.443 3.299 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)cs2)c1 ZINC000126539475 454901421 /nfs/dbraw/zinc/90/14/21/454901421.db2.gz AHIUDHVCUYMKEY-MZBDJJRSSA-N 1 0 345.424 3.206 10 5 EGBERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179014140 454999274 /nfs/dbraw/zinc/99/92/74/454999274.db2.gz RKKSIBLTKGNKSF-IRXDYDNUSA-N 1 0 340.383 3.162 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000179705993 455069334 /nfs/dbraw/zinc/06/93/34/455069334.db2.gz IWXDNVVGAKQCBD-QGZVFWFLSA-N 1 0 347.802 3.151 10 5 EGBERO C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180404411 455164927 /nfs/dbraw/zinc/16/49/27/455164927.db2.gz ZYVYJEVULCUGJT-JTQLQIEISA-N 1 0 335.310 3.162 10 5 EGBERO CSC[C@H](CCO)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180612025 455208353 /nfs/dbraw/zinc/20/83/53/455208353.db2.gz PBHONBSBBITFSS-WMZOPIPTSA-N 1 0 346.452 3.388 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181550615 455353345 /nfs/dbraw/zinc/35/33/45/455353345.db2.gz LZAOPHOAQKGEGQ-QZTJIDSGSA-N 1 0 344.411 3.384 10 5 EGBERO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184185341 455360406 /nfs/dbraw/zinc/36/04/06/455360406.db2.gz ZLWDQSWQTNHTRF-LLVKDONJSA-N 1 0 334.401 3.039 10 5 EGBERO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000184616855 455414430 /nfs/dbraw/zinc/41/44/30/455414430.db2.gz RVIZKCOWDSRHOK-SNVBAGLBSA-N 1 0 325.796 3.355 10 5 EGBERO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182175998 455454055 /nfs/dbraw/zinc/45/40/55/455454055.db2.gz GJDOGCZHMVETNE-PBHICJAKSA-N 1 0 344.411 3.248 10 5 EGBERO Cc1cnn([C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000255336907 455865804 /nfs/dbraw/zinc/86/58/04/455865804.db2.gz QJMKQKITKURHMB-DANOYGIBSA-N 1 0 326.400 3.450 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285790965 455917013 /nfs/dbraw/zinc/91/70/13/455917013.db2.gz XUUWFIKHPOLVFY-MEDUHNTESA-N 1 0 327.375 3.035 10 5 EGBERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccccc1[N+](=O)[O-] ZINC000285903179 455939636 /nfs/dbraw/zinc/93/96/36/455939636.db2.gz BKKSVVMVQDWUDK-NWDGAFQWSA-N 1 0 341.367 3.338 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195356053 455949637 /nfs/dbraw/zinc/94/96/37/455949637.db2.gz LTPPFHGUSPGMNL-ZDUSSCGKSA-N 1 0 333.413 3.310 10 5 EGBERO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000302034117 456273510 /nfs/dbraw/zinc/27/35/10/456273510.db2.gz LGKXCQGVUUGLFM-UHFFFAOYSA-N 1 0 333.432 3.296 10 5 EGBERO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000352769372 456290486 /nfs/dbraw/zinc/29/04/86/456290486.db2.gz KJYOWXKRIYZSQL-HNNXBMFYSA-N 1 0 330.388 3.280 10 5 EGBERO CC[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000282009721 456388386 /nfs/dbraw/zinc/38/83/86/456388386.db2.gz VVFMBEWSOUGBCM-QGZVFWFLSA-N 1 0 348.447 3.173 10 5 EGBERO O=C1CCCN1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290921285 456467393 /nfs/dbraw/zinc/46/73/93/456467393.db2.gz QOVSNDRTTGDLCZ-UHFFFAOYSA-N 1 0 346.214 3.004 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cc(F)ccc1F ZINC000282332520 456479987 /nfs/dbraw/zinc/47/99/87/456479987.db2.gz BDELIIFQKUFNSB-KRWDZBQOSA-N 1 0 336.338 3.081 10 5 EGBERO O=C1[C@H]([N@@H+]2CCC3(C2)CCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303956482 456496766 /nfs/dbraw/zinc/49/67/66/456496766.db2.gz XMRMEMPVIAFUBB-QGZVFWFLSA-N 1 0 343.427 3.356 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000353115366 456499773 /nfs/dbraw/zinc/49/97/73/456499773.db2.gz DZFNBLVMFXSETR-QHCPKHFHSA-N 1 0 332.425 3.072 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000343627603 456754432 /nfs/dbraw/zinc/75/44/32/456754432.db2.gz MGQQXCARQIEYKD-IBGZPJMESA-N 1 0 338.411 3.092 10 5 EGBERO O=[N+]([O-])c1cnccc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343629116 456755886 /nfs/dbraw/zinc/75/58/86/456755886.db2.gz KXJZXMKKMWPMLR-IBGZPJMESA-N 1 0 338.411 3.092 10 5 EGBERO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353568685 456767769 /nfs/dbraw/zinc/76/77/69/456767769.db2.gz FBEQGDSZGDNDIB-INIZCTEOSA-N 1 0 343.402 3.440 10 5 EGBERO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000300486530 456783583 /nfs/dbraw/zinc/78/35/83/456783583.db2.gz GTPPZMJLZMFQPW-ZYHUDNBSSA-N 1 0 342.237 3.229 10 5 EGBERO CC1(C)C[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617215 456806162 /nfs/dbraw/zinc/80/61/62/456806162.db2.gz CNLWPPQZFFVMEB-DIFFPNOSSA-N 1 0 326.400 3.187 10 5 EGBERO Cc1c(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000341469350 456866926 /nfs/dbraw/zinc/86/69/26/456866926.db2.gz YLNFXNILTLVWGX-STQMWFEESA-N 1 0 334.420 3.288 10 5 EGBERO Cc1ccc2[nH+]ccc(N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2c1 ZINC000362685391 457043784 /nfs/dbraw/zinc/04/37/84/457043784.db2.gz SBICIVKAYNLIKB-UHFFFAOYSA-N 1 0 337.383 3.489 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354144225 457091912 /nfs/dbraw/zinc/09/19/12/457091912.db2.gz RVLDBHMVCBASFW-DLBZAZTESA-N 1 0 348.447 3.220 10 5 EGBERO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000359816724 457132803 /nfs/dbraw/zinc/13/28/03/457132803.db2.gz KYUWIOJLDMBBSU-AWEZNQCLSA-N 1 0 345.403 3.248 10 5 EGBERO Cc1c(CNC(=O)C2(C[NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000331114987 457134754 /nfs/dbraw/zinc/13/47/54/457134754.db2.gz JWOOODCRTPRCHL-UHFFFAOYSA-N 1 0 333.432 3.032 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000360151204 457276574 /nfs/dbraw/zinc/27/65/74/457276574.db2.gz WSEMYTRYFHOCHY-HNNXBMFYSA-N 1 0 349.412 3.158 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360920859 457434489 /nfs/dbraw/zinc/43/44/89/457434489.db2.gz RRSQUYXQGSFISB-RHSMWYFYSA-N 1 0 341.411 3.431 10 5 EGBERO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342734206 457487050 /nfs/dbraw/zinc/48/70/50/457487050.db2.gz HUFLKDSOWHMMCK-LSDHHAIUSA-N 1 0 349.431 3.060 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000443386263 457757488 /nfs/dbraw/zinc/75/74/88/457757488.db2.gz MROUWLBMFHRMSY-UHFFFAOYSA-N 1 0 334.420 3.289 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361894372 457937926 /nfs/dbraw/zinc/93/79/26/457937926.db2.gz OOJJAFGROJVZMA-OFQRWUPVSA-N 1 0 334.416 3.288 10 5 EGBERO Cn1ccc([C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000358493454 458036592 /nfs/dbraw/zinc/03/65/92/458036592.db2.gz CRRQLENHSGMCNU-GOSISDBHSA-N 1 0 340.358 3.347 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCn3ccnc3C2)c2ccccc2)c1 ZINC000427846367 458044017 /nfs/dbraw/zinc/04/40/17/458044017.db2.gz HHEHIONLENDLRV-XLIONFOSSA-N 1 0 348.406 3.485 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412049843 458067948 /nfs/dbraw/zinc/06/79/48/458067948.db2.gz XARGCIHSEHEBAH-RYUDHWBXSA-N 1 0 335.404 3.051 10 5 EGBERO COc1ccccc1C=CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835957 458234384 /nfs/dbraw/zinc/23/43/84/458234384.db2.gz REEDNOOULSHDNV-GQCTYLIASA-N 1 0 338.367 3.283 10 5 EGBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000436309607 458287538 /nfs/dbraw/zinc/28/75/38/458287538.db2.gz OTLMNBYWDZDDQE-KEYYUXOJSA-N 1 0 332.400 3.294 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCC(F)(F)C2)n1 ZINC000447579111 458314905 /nfs/dbraw/zinc/31/49/05/458314905.db2.gz JAAXJOVFABKHMZ-YNEHKIRRSA-N 1 0 328.363 3.443 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000430199689 458419651 /nfs/dbraw/zinc/41/96/51/458419651.db2.gz DKDRBACJPDWPJH-ACJLOTCBSA-N 1 0 342.395 3.427 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000373203419 458428717 /nfs/dbraw/zinc/42/87/17/458428717.db2.gz ONAPBQAQYMZBLH-QFBILLFUSA-N 1 0 342.395 3.341 10 5 EGBERO CC[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000431863076 458636572 /nfs/dbraw/zinc/63/65/72/458636572.db2.gz CLXSBLRKWYUMMS-WBVHZDCISA-N 1 0 333.432 3.427 10 5 EGBERO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000475747162 458963821 /nfs/dbraw/zinc/96/38/21/458963821.db2.gz JRZOKUSYFMBLEZ-HZSPNIEDSA-N 1 0 349.431 3.298 10 5 EGBERO COc1cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)ccc1[N+](=O)[O-] ZINC000556518864 458968245 /nfs/dbraw/zinc/96/82/45/458968245.db2.gz JRUNLGLQNBQCNL-UHFFFAOYSA-N 1 0 330.388 3.015 10 5 EGBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000594506847 459066547 /nfs/dbraw/zinc/06/65/47/459066547.db2.gz FNLUJZMMIOXCBR-QUCCMNQESA-N 1 0 338.407 3.048 10 5 EGBERO COc1c(C)cccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594513040 459071021 /nfs/dbraw/zinc/07/10/21/459071021.db2.gz ZQDNWKKSZBPAEN-CVEARBPZSA-N 1 0 344.415 3.382 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594522012 459078270 /nfs/dbraw/zinc/07/82/70/459078270.db2.gz WWUKOFNVFJCIDD-JQFCIGGWSA-N 1 0 349.431 3.249 10 5 EGBERO O=[N+]([O-])c1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c(F)c1 ZINC000594738214 459146471 /nfs/dbraw/zinc/14/64/71/459146471.db2.gz BUASNDDSACQXNM-QGZVFWFLSA-N 1 0 331.347 3.007 10 5 EGBERO CC(C)[N@H+](C)CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000521773925 459177367 /nfs/dbraw/zinc/17/73/67/459177367.db2.gz UCOHYAGCBUVEMI-UHFFFAOYSA-N 1 0 331.420 3.028 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000480476771 459200852 /nfs/dbraw/zinc/20/08/52/459200852.db2.gz PFOYNVFMSKHOQF-GOSISDBHSA-N 1 0 336.432 3.414 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000594979122 459203684 /nfs/dbraw/zinc/20/36/84/459203684.db2.gz JDKKRAAOOZZJQF-MAUKXSAKSA-N 1 0 328.416 3.138 10 5 EGBERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595016705 459216535 /nfs/dbraw/zinc/21/65/35/459216535.db2.gz RVJYPAPSHGHLQM-LBPRGKRZSA-N 1 0 338.404 3.061 10 5 EGBERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000595051511 459229002 /nfs/dbraw/zinc/22/90/02/459229002.db2.gz VNRBQMXBGHRERB-KBMXLJTQSA-N 1 0 329.404 3.063 10 5 EGBERO CC[C@H]([NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595061768 459232316 /nfs/dbraw/zinc/23/23/16/459232316.db2.gz MRUNVMZTJMVYOH-NRSFXHEJSA-N 1 0 336.432 3.202 10 5 EGBERO CC1(C)C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000595070817 459236480 /nfs/dbraw/zinc/23/64/80/459236480.db2.gz YXZYRLXWNPUQKH-KGLIPLIRSA-N 1 0 326.343 3.331 10 5 EGBERO CC1(C)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1(F)F ZINC000595091858 459242345 /nfs/dbraw/zinc/24/23/45/459242345.db2.gz KARUPQWQMDIOGT-WOPDTQHZSA-N 1 0 328.363 3.156 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595093867 459243417 /nfs/dbraw/zinc/24/34/17/459243417.db2.gz OWSMNCQZZNUWFO-LBPRGKRZSA-N 1 0 328.359 3.494 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226670 459258678 /nfs/dbraw/zinc/25/86/78/459258678.db2.gz YELIXTDREXZRFE-NVXWUHKLSA-N 1 0 345.443 3.206 10 5 EGBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000559590103 459267962 /nfs/dbraw/zinc/26/79/62/459267962.db2.gz HJLSZIZMFAFFSR-GFCCVEGCSA-N 1 0 349.353 3.118 10 5 EGBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CCO)CCCC1 ZINC000595509758 459330412 /nfs/dbraw/zinc/33/04/12/459330412.db2.gz UYLFNGUZVXKLGP-UHFFFAOYSA-N 1 0 343.221 3.142 10 5 EGBERO COc1cc2c(cc1F)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000540836917 459391182 /nfs/dbraw/zinc/39/11/82/459391182.db2.gz JLFPBIKLICZXHK-UHFFFAOYSA-N 1 0 330.359 3.343 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750840 459425413 /nfs/dbraw/zinc/42/54/13/459425413.db2.gz OKQAIJCUERSLBK-SFHVURJKSA-N 1 0 334.416 3.119 10 5 EGBERO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485398406 459452914 /nfs/dbraw/zinc/45/29/14/459452914.db2.gz KNXSSRWRONHGTB-UHFFFAOYSA-N 1 0 344.390 3.326 10 5 EGBERO Cc1cc(N2CCO[C@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000569924461 459532188 /nfs/dbraw/zinc/53/21/88/459532188.db2.gz XZODLXMLLAUVOW-QGZVFWFLSA-N 1 0 345.424 3.164 10 5 EGBERO CN(C(=O)C[N@@H+]1CCCC[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000592198280 459548049 /nfs/dbraw/zinc/54/80/49/459548049.db2.gz OFKGTIBMURWRGP-KRWDZBQOSA-N 1 0 331.416 3.212 10 5 EGBERO C[NH+]1CCC2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000596237176 459570466 /nfs/dbraw/zinc/57/04/66/459570466.db2.gz AGSQGVRYPRTHAE-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO C[N@@H+]1C[C@@H](CNCc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376497 459584486 /nfs/dbraw/zinc/58/44/86/459584486.db2.gz UBDLNAZHGKCACT-MJGOQNOKSA-N 1 0 325.412 3.030 10 5 EGBERO Cc1cccc(NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596314824 459593336 /nfs/dbraw/zinc/59/33/36/459593336.db2.gz RPEYGYGYQHQMMZ-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479425 459609751 /nfs/dbraw/zinc/60/97/51/459609751.db2.gz YAKHRJFKSFKHED-MAUKXSAKSA-N 1 0 347.459 3.346 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000596422510 459632729 /nfs/dbraw/zinc/63/27/29/459632729.db2.gz CZWPJGPUXXCFMH-KRWDZBQOSA-N 1 0 341.411 3.082 10 5 EGBERO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596652336 459716012 /nfs/dbraw/zinc/71/60/12/459716012.db2.gz PRBGXAJPDKPXRM-ULQDDVLXSA-N 1 0 341.415 3.134 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596656776 459716797 /nfs/dbraw/zinc/71/67/97/459716797.db2.gz FYANCGXRVNILDP-CYBMUJFWSA-N 1 0 348.447 3.002 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000574167825 459788337 /nfs/dbraw/zinc/78/83/37/459788337.db2.gz LWHQXVAGXVVMRQ-OAHLLOKOSA-N 1 0 333.432 3.211 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000593182094 459799764 /nfs/dbraw/zinc/79/97/64/459799764.db2.gz WMOOHKAXLBGKMM-UHFFFAOYSA-N 1 0 336.436 3.311 10 5 EGBERO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CCCCC1 ZINC000566130481 459811764 /nfs/dbraw/zinc/81/17/64/459811764.db2.gz LSZZELLRUMSGBT-MRXNPFEDSA-N 1 0 348.443 3.451 10 5 EGBERO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000585754282 459842476 /nfs/dbraw/zinc/84/24/76/459842476.db2.gz FBFXBEAZECTSIP-KRWDZBQOSA-N 1 0 344.411 3.202 10 5 EGBERO C[C@]12COC[C@H]1C[N@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000597211066 459879511 /nfs/dbraw/zinc/87/95/11/459879511.db2.gz KVSRAXJSQVQFRI-DYVFJYSZSA-N 1 0 345.424 3.187 10 5 EGBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593476724 459900374 /nfs/dbraw/zinc/90/03/74/459900374.db2.gz YBBSZOKFKQFGGU-DZGCQCFKSA-N 1 0 326.400 3.206 10 5 EGBERO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044545 460070404 /nfs/dbraw/zinc/07/04/04/460070404.db2.gz RPSIGQAEPPSBPH-UKRRQHHQSA-N 1 0 326.368 3.180 10 5 EGBERO COc1cncc(/C=C\CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000576395721 460132382 /nfs/dbraw/zinc/13/23/82/460132382.db2.gz NICBFOGWOYANRV-RQOWECAXSA-N 1 0 339.395 3.460 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000599049880 460140854 /nfs/dbraw/zinc/14/08/54/460140854.db2.gz UULQWWWKIRQVQL-OAHLLOKOSA-N 1 0 340.427 3.455 10 5 EGBERO CC[C@H](NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610530790 460178152 /nfs/dbraw/zinc/17/81/52/460178152.db2.gz FNXRFNMVLYVPGI-WBVHZDCISA-N 1 0 348.447 3.218 10 5 EGBERO COc1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000611090454 460288259 /nfs/dbraw/zinc/28/82/59/460288259.db2.gz XGSYPPVQRLEQDT-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2cccnc2)CC1 ZINC000611258938 460320059 /nfs/dbraw/zinc/32/00/59/460320059.db2.gz KWIZZHDGKRVWAU-UHFFFAOYSA-N 1 0 327.384 3.248 10 5 EGBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000611555419 460397287 /nfs/dbraw/zinc/39/72/87/460397287.db2.gz CFSSADWUEXIOGV-CYBMUJFWSA-N 1 0 328.416 3.329 10 5 EGBERO C[NH2+]Cc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000601556053 460831516 /nfs/dbraw/zinc/83/15/16/460831516.db2.gz QJNZKXZCHNJYJA-UHFFFAOYSA-N 1 0 339.395 3.375 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000175148282 528612421 /nfs/dbraw/zinc/61/24/21/528612421.db2.gz IACRISUMZSOWBX-UHFFFAOYSA-N 1 0 344.415 3.107 10 5 EGBERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000337825397 535794625 /nfs/dbraw/zinc/79/46/25/535794625.db2.gz XBFXJWMYTJLJHI-RHSMWYFYSA-N 1 0 348.447 3.077 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000871358311 1296367171 /nfs/dbraw/zinc/36/71/71/1296367171.db2.gz QAKPVEWHSDOASZ-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029158 1296676018 /nfs/dbraw/zinc/67/60/18/1296676018.db2.gz VYXDWHOMRBFPQV-ZDUSSCGKSA-N 1 0 329.375 3.400 10 5 EGBERO CSC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872049544 1296700977 /nfs/dbraw/zinc/70/09/77/1296700977.db2.gz SOOGOMBHBVKDDF-LLVKDONJSA-N 1 0 328.409 3.297 10 5 EGBERO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051328 1296701716 /nfs/dbraw/zinc/70/17/16/1296701716.db2.gz JDLJIQYJDIIQII-APPDUMDISA-N 1 0 336.338 3.431 10 5 EGBERO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053524 1296702609 /nfs/dbraw/zinc/70/26/09/1296702609.db2.gz KXEYOHVOXMOXFP-LBPRGKRZSA-N 1 0 334.395 3.368 10 5 EGBERO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872051682 1296702910 /nfs/dbraw/zinc/70/29/10/1296702910.db2.gz KFAFRNXWEODGSK-KZULUSFZSA-N 1 0 330.359 3.219 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC1 ZINC000872109816 1296735730 /nfs/dbraw/zinc/73/57/30/1296735730.db2.gz SDYIBTVFOWUABU-LSTDLKDCSA-N 1 0 330.428 3.463 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H]1CCOC1=O ZINC000872110651 1296736364 /nfs/dbraw/zinc/73/63/64/1296736364.db2.gz LSQHADCZFREKBF-NWDGAFQWSA-N 1 0 338.429 3.311 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879667323 1300664023 /nfs/dbraw/zinc/66/40/23/1300664023.db2.gz CRZWVUYSGJDSOE-ZIAGYGMSSA-N 1 0 330.306 3.460 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000888858024 1304305679 /nfs/dbraw/zinc/30/56/79/1304305679.db2.gz KUJCKYQDPYNRDT-MRXNPFEDSA-N 1 0 345.443 3.302 10 5 EGBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890882330 1304905543 /nfs/dbraw/zinc/90/55/43/1304905543.db2.gz KSFLDYFGBJIIGW-KAMYIIQDSA-N 1 0 333.432 3.044 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836916 1309548092 /nfs/dbraw/zinc/54/80/92/1309548092.db2.gz QADNJTKNRPCHBG-CUXKMMBLSA-N 1 0 344.333 3.245 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896021930 1309657050 /nfs/dbraw/zinc/65/70/50/1309657050.db2.gz KTMILMHCZJCDKK-UHFFFAOYSA-N 1 0 333.432 3.063 10 5 EGBERO C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858445827 1328763821 /nfs/dbraw/zinc/76/38/21/1328763821.db2.gz DFJMTCSMBVLRPO-XIKOKIGWSA-N 1 0 343.383 3.058 10 5 EGBERO C[C@@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000930236910 1328818038 /nfs/dbraw/zinc/81/80/38/1328818038.db2.gz ZZSXHCFWFUQTDL-WBVHZDCISA-N 1 0 344.411 3.213 10 5 EGBERO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000858804551 1328865946 /nfs/dbraw/zinc/86/59/46/1328865946.db2.gz UQWKWKJSWQWNCM-UHFFFAOYSA-N 1 0 339.823 3.243 10 5 EGBERO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859355424 1328974805 /nfs/dbraw/zinc/97/48/05/1328974805.db2.gz SIKZNVNMVVAXMZ-UHFFFAOYSA-N 1 0 341.411 3.162 10 5 EGBERO Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C2CCCC2)n1 ZINC000921791448 1322398540 /nfs/dbraw/zinc/39/85/40/1322398540.db2.gz MNTHYHFFHUVXIZ-UHFFFAOYSA-N 1 0 328.416 3.318 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)c2c1 ZINC000922134677 1322463084 /nfs/dbraw/zinc/46/30/84/1322463084.db2.gz QUOULCRDIFOXKY-NUEKZKHPSA-N 1 0 343.427 3.413 10 5 EGBERO COc1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922676876 1322586194 /nfs/dbraw/zinc/58/61/94/1322586194.db2.gz CBHONKYWPNVODD-RISCZKNCSA-N 1 0 348.321 3.193 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922754924 1322610767 /nfs/dbraw/zinc/61/07/67/1322610767.db2.gz PDKKWOXHZKODNP-RZXPCSSPSA-N 1 0 345.365 3.470 10 5 EGBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000925894007 1325347218 /nfs/dbraw/zinc/34/72/18/1325347218.db2.gz QIRBYTYTZIZEQB-AWEZNQCLSA-N 1 0 346.431 3.228 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)O2)cccc1[N+](=O)[O-] ZINC000927014135 1327821738 /nfs/dbraw/zinc/82/17/38/1327821738.db2.gz NNPBKXGMKSKZBK-HUUCEWRRSA-N 1 0 334.416 3.282 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927030357 1327825833 /nfs/dbraw/zinc/82/58/33/1327825833.db2.gz HYZDDEJMHQPBEH-YRGRVCCFSA-N 1 0 337.445 3.186 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000927141618 1327889149 /nfs/dbraw/zinc/88/91/49/1327889149.db2.gz XYSOGVBVENYJDM-DPMMWBKBSA-N 1 0 344.386 3.303 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000928013520 1328173349 /nfs/dbraw/zinc/17/33/49/1328173349.db2.gz AWMYZFYFYGRFNS-UHFFFAOYSA-N 1 0 349.406 3.261 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862229960 1329468646 /nfs/dbraw/zinc/46/86/46/1329468646.db2.gz UBPODHSGRCCNNX-UHFFFAOYSA-N 1 0 327.812 3.098 10 5 EGBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000863567807 1329563715 /nfs/dbraw/zinc/56/37/15/1329563715.db2.gz FQWUFMYBSNSPOP-BSDSXHPESA-N 1 0 344.798 3.210 10 5 EGBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865504712 1329706475 /nfs/dbraw/zinc/70/64/75/1329706475.db2.gz WTCHIFOIDMHROP-GFCCVEGCSA-N 1 0 329.347 3.055 10 5 EGBERO COCc1cc([N+](=O)[O-])ccc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000866021798 1329759772 /nfs/dbraw/zinc/75/97/72/1329759772.db2.gz GMHYGULERWTNDC-UHFFFAOYSA-N 1 0 333.432 3.196 10 5 EGBERO COc1cc(N2CCC3(CC2)CC[NH+](C)CC3)c(F)cc1[N+](=O)[O-] ZINC000866054550 1330060525 /nfs/dbraw/zinc/06/05/25/1330060525.db2.gz FQRDTFQYNNAKDT-UHFFFAOYSA-N 1 0 337.395 3.055 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC[C@H]21 ZINC000866207745 1330078482 /nfs/dbraw/zinc/07/84/82/1330078482.db2.gz JOMNWQWQJPQFRH-UKRRQHHQSA-N 1 0 333.432 3.303 10 5 EGBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000866383071 1330104231 /nfs/dbraw/zinc/10/42/31/1330104231.db2.gz DSCOHXXYEKCBOR-SGTLLEGYSA-N 1 0 336.407 3.460 10 5 EGBERO Cc1ccc(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000866539162 1330123763 /nfs/dbraw/zinc/12/37/63/1330123763.db2.gz HOUYTQOURRKMHU-OAHLLOKOSA-N 1 0 333.432 3.174 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000867989888 1330237343 /nfs/dbraw/zinc/23/73/43/1330237343.db2.gz QPMAKYCNODSVMU-MRXNPFEDSA-N 1 0 341.367 3.042 10 5 EGBERO O=C(CC1CCCCC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323384958 1387359514 /nfs/dbraw/zinc/35/95/14/1387359514.db2.gz LSRARGJYZISBJQ-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=[N+]([O-])c1c(N2CC[C@@H]([NH+]3CCCC3)C2)cccc1C(F)(F)F ZINC001185231240 1387657162 /nfs/dbraw/zinc/65/71/62/1387657162.db2.gz VGEYFLCVWNICTH-LLVKDONJSA-N 1 0 329.322 3.288 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC001190463327 1367271674 /nfs/dbraw/zinc/27/16/74/1367271674.db2.gz AIBSSUPJWSPXHZ-UHFFFAOYSA-N 1 0 335.448 3.157 10 5 EGBERO C[C@@H]1CCC[C@@H]([N@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001190682913 1367327578 /nfs/dbraw/zinc/32/75/78/1367327578.db2.gz PXDYWABPXUXTQB-IJEWVQPXSA-N 1 0 334.416 3.319 10 5 EGBERO Cc1ccc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001194143440 1368191545 /nfs/dbraw/zinc/19/15/45/1368191545.db2.gz QBSGSJYJUJXQNL-IBGZPJMESA-N 1 0 339.439 3.262 10 5 EGBERO CCOc1cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC001194497127 1368274358 /nfs/dbraw/zinc/27/43/58/1368274358.db2.gz FMVJSHFCVVAURW-CRAIPNDOSA-N 1 0 338.448 3.372 10 5 EGBERO Cn1cc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC001197032318 1368733917 /nfs/dbraw/zinc/73/39/17/1368733917.db2.gz PEVKEPQBKWCXGA-UHFFFAOYSA-N 1 0 348.834 3.436 10 5 EGBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC001127595165 1373145205 /nfs/dbraw/zinc/14/52/05/1373145205.db2.gz OWHHFSLATMFJRG-VXGBXAGGSA-N 1 0 339.823 3.111 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001144034604 1378673155 /nfs/dbraw/zinc/67/31/55/1378673155.db2.gz IFQIIKAXOOXICT-INIZCTEOSA-N 1 0 333.432 3.014 10 5 EGBERO O=C(Nc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001157397447 1380868767 /nfs/dbraw/zinc/86/87/67/1380868767.db2.gz WIEABDHIENGKRE-UHFFFAOYSA-N 1 0 348.265 3.096 10 5 EGBERO O=C(Nc1ccc2c[nH+]cn2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001157397510 1380869223 /nfs/dbraw/zinc/86/92/23/1380869223.db2.gz YGZQSFRDPUAZIM-UHFFFAOYSA-N 1 0 336.351 3.303 10 5 EGBERO C[NH+](C)[C@@H]1C[C@@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1(C)C ZINC001307149295 1383946364 /nfs/dbraw/zinc/94/63/64/1383946364.db2.gz FMAZTDOHYUFYKK-HUUCEWRRSA-N 1 0 348.834 3.359 10 5 EGBERO CN(CCc1ccccc1[N+](=O)[O-])CC[N@H+](C)Cc1ccccc1 ZINC001307762657 1384028048 /nfs/dbraw/zinc/02/80/48/1384028048.db2.gz YRLQFTXUGZOYKW-UHFFFAOYSA-N 1 0 327.428 3.201 10 5 EGBERO COc1ccc(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC001329069036 1388952748 /nfs/dbraw/zinc/95/27/48/1388952748.db2.gz XDJDBKFVGMFTQT-UVTDQMKNSA-N 1 0 327.384 3.234 10 5 EGBERO C[N@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317452782 1385150952 /nfs/dbraw/zinc/15/09/52/1385150952.db2.gz DJMGJSHKFKTKOU-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO Cc1cc(C)c2c(c1)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC001177033849 1385779895 /nfs/dbraw/zinc/77/98/95/1385779895.db2.gz WUCVUDRENHYHOH-LJQANCHMSA-N 1 0 326.396 3.303 10 5 EGBERO C/C=C(/C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001318625160 1385800916 /nfs/dbraw/zinc/80/09/16/1385800916.db2.gz YILHSNSEIATYPQ-BNNQUZSASA-N 1 0 331.416 3.080 10 5 EGBERO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080689 1386498220 /nfs/dbraw/zinc/49/82/20/1386498220.db2.gz KKPIVQNWZKEJOM-AUUYWEPGSA-N 1 0 344.411 3.200 10 5 EGBERO C[C@H]1C[C@@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC001330029440 1389288359 /nfs/dbraw/zinc/28/83/59/1389288359.db2.gz KFXOEVCQLKEQMQ-QWRGUYRKSA-N 1 0 349.822 3.110 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1C ZINC001332739556 1390176118 /nfs/dbraw/zinc/17/61/18/1390176118.db2.gz UOVPATIFGOMFOK-UHFFFAOYSA-N 1 0 333.432 3.206 10 5 EGBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC001348867011 1391277370 /nfs/dbraw/zinc/27/73/70/1391277370.db2.gz WJLSENDCCDDBMD-GFCCVEGCSA-N 1 0 339.461 3.167 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001350490386 1391470737 /nfs/dbraw/zinc/47/07/37/1391470737.db2.gz IEMHMLZJVZQECE-SNVBAGLBSA-N 1 0 349.822 3.476 10 5 EGBERO CC(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)=C1CCC1 ZINC001479367012 1392225846 /nfs/dbraw/zinc/22/58/46/1392225846.db2.gz BBOPWBKZQBVPIV-CZIWCDLHSA-N 1 0 343.427 3.080 10 5 EGBERO CC[N@H+](CCCNC(=O)C1=CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001479839876 1392423772 /nfs/dbraw/zinc/42/37/72/1392423772.db2.gz BYQMJYWBZFEQEM-UHFFFAOYSA-N 1 0 331.416 3.033 10 5 EGBERO CCC[N@H+](CCNC(=O)C(C)=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001481135349 1393129708 /nfs/dbraw/zinc/12/97/08/1393129708.db2.gz NSSDVNBVSCILAC-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO CC[N@H+](CCCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001490345126 1393178033 /nfs/dbraw/zinc/17/80/33/1393178033.db2.gz LIOOWQVTMGULNE-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001687575506 1396412635 /nfs/dbraw/zinc/41/26/35/1396412635.db2.gz RLJOSUHYWFGZBD-PBHICJAKSA-N 1 0 348.447 3.075 10 5 EGBERO O=C(CC1CC1)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001495498125 1396539353 /nfs/dbraw/zinc/53/93/53/1396539353.db2.gz KFGGMTWPVQKGJQ-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691492040 1405300185 /nfs/dbraw/zinc/30/01/85/1405300185.db2.gz OFIZGCIJEAOAED-VTRMWFIXSA-N 1 0 345.443 3.182 10 5 EGBERO Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001732578840 1428781410 /nfs/dbraw/zinc/78/14/10/1428781410.db2.gz NQVNRFDPAQLYSB-UHFFFAOYSA-N 1 0 345.399 3.009 10 5 EGBERO CCCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001713200838 1417771194 /nfs/dbraw/zinc/77/11/94/1417771194.db2.gz ZJGRIPWEJFALFX-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO CCC[N@H+](CCNC(=O)c1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001714648190 1419424640 /nfs/dbraw/zinc/42/46/40/1419424640.db2.gz REVXRJTVYLEPMD-UHFFFAOYSA-N 1 0 347.440 3.298 10 5 EGBERO CCCC(=O)N1CCC(CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001715444100 1420129113 /nfs/dbraw/zinc/12/91/13/1420129113.db2.gz YMHSRLRZUPHSIZ-UHFFFAOYSA-N 1 0 347.459 3.455 10 5 EGBERO CCC(=O)N1CCC(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001715469227 1420147918 /nfs/dbraw/zinc/14/79/18/1420147918.db2.gz BDQDEUMZBBEKIY-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001716250003 1420582400 /nfs/dbraw/zinc/58/24/00/1420582400.db2.gz RIKYAQDJGXUGPZ-JCNLHEQBSA-N 1 0 347.459 3.359 10 5 EGBERO CCCC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001716690660 1420842737 /nfs/dbraw/zinc/84/27/37/1420842737.db2.gz LOHBIUAYSIRPJE-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(C(=O)C=C(C)C)CC1 ZINC001717234588 1421202771 /nfs/dbraw/zinc/20/27/71/1421202771.db2.gz JHOPSONGXGNMHD-UHFFFAOYSA-N 1 0 345.443 3.422 10 5 EGBERO C/C=C(/C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001717451867 1421381717 /nfs/dbraw/zinc/38/17/17/1421381717.db2.gz JXHVRMCHZINXJZ-NSIKDUERSA-N 1 0 333.432 3.135 10 5 EGBERO CC(C)=CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001725136519 1425611355 /nfs/dbraw/zinc/61/13/55/1425611355.db2.gz HRNXQILYEAVYDX-UHFFFAOYSA-N 1 0 333.432 3.135 10 5 EGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246683434 243294128 /nfs/dbraw/zinc/29/41/28/243294128.db2.gz LXZVSFCAIWSNDX-YJBOKZPZSA-N 1 0 348.349 3.223 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151422770 223819220 /nfs/dbraw/zinc/81/92/20/223819220.db2.gz QBJZXAZBUNOAOG-IUODEOHRSA-N 1 0 342.848 3.393 10 5 EGBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000408401258 169175189 /nfs/dbraw/zinc/17/51/89/169175189.db2.gz BURVMVGLGQYTSC-YRGRVCCFSA-N 1 0 338.839 3.485 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408171325 169162566 /nfs/dbraw/zinc/16/25/66/169162566.db2.gz HWLDTYRQKULUDV-OWCLPIDISA-N 1 0 332.448 3.448 10 5 EGBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000408448883 169178292 /nfs/dbraw/zinc/17/82/92/169178292.db2.gz BSWZXCIIPADCFR-UMVBOHGHSA-N 1 0 343.431 3.313 10 5 EGBERO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000092754724 218165624 /nfs/dbraw/zinc/16/56/24/218165624.db2.gz MSPMYZKQFDHHQU-OAHLLOKOSA-N 1 0 347.459 3.276 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000338050532 141081877 /nfs/dbraw/zinc/08/18/77/141081877.db2.gz LJGTXTSRNZYDFU-UHFFFAOYSA-N 1 0 345.443 3.241 10 5 EGBERO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000346260215 141187594 /nfs/dbraw/zinc/18/75/94/141187594.db2.gz SGLZXKVMWROULX-UHFFFAOYSA-N 1 0 348.447 3.026 10 5 EGBERO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347944133 141222585 /nfs/dbraw/zinc/22/25/85/141222585.db2.gz JHHSIUHQPRBWHI-KRWDZBQOSA-N 1 0 345.443 3.059 10 5 EGBERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000178652127 144073798 /nfs/dbraw/zinc/07/37/98/144073798.db2.gz CYKWNZDCRRIGEI-GFCCVEGCSA-N 1 0 333.413 3.127 10 5 EGBERO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188860435 153037529 /nfs/dbraw/zinc/03/75/29/153037529.db2.gz ITDRLGQIDITDTH-UHFFFAOYSA-N 1 0 349.456 3.016 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000194432822 153336594 /nfs/dbraw/zinc/33/65/94/153336594.db2.gz YTCSHIJTSCUSRH-GFCCVEGCSA-N 1 0 343.339 3.159 10 5 EGBERO CSc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000194917579 153367130 /nfs/dbraw/zinc/36/71/30/153367130.db2.gz SEURSXXKZPPMMY-ZDUSSCGKSA-N 1 0 339.461 3.023 10 5 EGBERO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000337313484 154277981 /nfs/dbraw/zinc/27/79/81/154277981.db2.gz GYFNUWGVXGLMLI-HNNXBMFYSA-N 1 0 349.431 3.205 10 5 EGBERO C[C@@H]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000337321485 154282066 /nfs/dbraw/zinc/28/20/66/154282066.db2.gz QEGSNPZUESOWMS-RDTXWAMCSA-N 1 0 331.416 3.436 10 5 EGBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249138948 163058432 /nfs/dbraw/zinc/05/84/32/163058432.db2.gz VWKSDIVSLWUPLV-UONOGXRCSA-N 1 0 334.420 3.158 10 5 EGBERO CN(c1ccc([N+](=O)[O-])nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000344418598 164174434 /nfs/dbraw/zinc/17/44/34/164174434.db2.gz MJSIHCXXSKWXSD-UHFFFAOYSA-N 1 0 326.400 3.091 10 5 EGBERO CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000346425309 164385148 /nfs/dbraw/zinc/38/51/48/164385148.db2.gz YNEAGQYSCBVHEZ-UHFFFAOYSA-N 1 0 326.828 3.201 10 5 EGBERO CCc1cccc(F)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000355172832 166123289 /nfs/dbraw/zinc/12/32/89/166123289.db2.gz XRPKPWUBGIPISA-UHFFFAOYSA-N 1 0 332.379 3.330 10 5 EGBERO CN1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000366843192 168147742 /nfs/dbraw/zinc/14/77/42/168147742.db2.gz BLBYWVNDYVVDBG-FUHWJXTLSA-N 1 0 329.375 3.269 10 5 EGBERO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367572375 168243632 /nfs/dbraw/zinc/24/36/32/168243632.db2.gz DPIYWFKHDPQRKJ-MAUKXSAKSA-N 1 0 341.411 3.230 10 5 EGBERO C[NH2+]C(C)(C)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278172641 267955222 /nfs/dbraw/zinc/95/52/22/267955222.db2.gz BDQGZGWAERDMNU-UHFFFAOYSA-N 1 0 342.268 3.054 10 5 EGBERO C[C@@H]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555311 274313866 /nfs/dbraw/zinc/31/38/66/274313866.db2.gz KENKIBNXMYOIQT-LSBZLQRGSA-N 1 0 343.427 3.212 10 5 EGBERO CCCN(CC[NH+]1CCCC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000287372049 276113093 /nfs/dbraw/zinc/11/30/93/276113093.db2.gz OELQTZQNAMSAJM-UHFFFAOYSA-N 1 0 344.415 3.024 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000289723544 276383674 /nfs/dbraw/zinc/38/36/74/276383674.db2.gz IJYQFVUXLLVAIY-SUMWQHHRSA-N 1 0 348.447 3.351 10 5 EGBERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000289755366 276388801 /nfs/dbraw/zinc/38/88/01/276388801.db2.gz RLDAUGVSJMAKCK-GHMZBOCLSA-N 1 0 340.811 3.195 10 5 EGBERO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341257652 277002637 /nfs/dbraw/zinc/00/26/37/277002637.db2.gz KDKKKQHOTVCUQU-MRXNPFEDSA-N 1 0 338.411 3.330 10 5 EGBERO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251775656 278028883 /nfs/dbraw/zinc/02/88/83/278028883.db2.gz LDQUKSWJPRPNHJ-ZFWWWQNUSA-N 1 0 331.416 3.027 10 5 EGBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1nc2ccccc2s1 ZINC000090538503 278348934 /nfs/dbraw/zinc/34/89/34/278348934.db2.gz BMXXJLWTEAYWJP-NWDGAFQWSA-N 1 0 345.428 3.183 10 5 EGBERO CNC(=O)C[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360918101 290463614 /nfs/dbraw/zinc/46/36/14/290463614.db2.gz IFUPRWYFRWUNHN-PBHICJAKSA-N 1 0 341.411 3.431 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000301698641 308711423 /nfs/dbraw/zinc/71/14/23/308711423.db2.gz DGHKRNFPQYDVHX-UHFFFAOYSA-N 1 0 337.395 3.197 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3F)cccc21 ZINC000413259406 309023976 /nfs/dbraw/zinc/02/39/76/309023976.db2.gz DILNJCQSQFVGRE-AWEZNQCLSA-N 1 0 332.335 3.258 10 5 EGBERO CC[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000421371338 309321346 /nfs/dbraw/zinc/32/13/46/309321346.db2.gz CLKMLHGKMBWFMG-DGCLKSJQSA-N 1 0 330.331 3.243 10 5 EGBERO CCc1ccc([C@H](N[C@H]2CC[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423389712 309398270 /nfs/dbraw/zinc/39/82/70/309398270.db2.gz JNSWHOVDVYKCDU-XVGQJIODSA-N 1 0 343.427 3.427 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000431077821 309624989 /nfs/dbraw/zinc/62/49/89/309624989.db2.gz QRXCDNWLQZFBFD-CLTVBZQCSA-N 1 0 347.415 3.099 10 5 EGBERO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538885 309981253 /nfs/dbraw/zinc/98/12/53/309981253.db2.gz DSXCSECXMMXUIA-INMHGKMJSA-N 1 0 338.452 3.052 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3=CCOCC3)cs2)c1 ZINC000449402111 310059093 /nfs/dbraw/zinc/05/90/93/310059093.db2.gz JWOVFXFCFUVGJF-UHFFFAOYSA-N 1 0 331.397 3.155 10 5 EGBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449420035 310060711 /nfs/dbraw/zinc/06/07/11/310060711.db2.gz ISRBWTGQSVDURR-RHSMWYFYSA-N 1 0 330.384 3.448 10 5 EGBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000451544718 310184636 /nfs/dbraw/zinc/18/46/36/310184636.db2.gz FMXYCUJQXHCBCA-GXTWGEPZSA-N 1 0 332.322 3.088 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451883887 310201556 /nfs/dbraw/zinc/20/15/56/310201556.db2.gz FRXXTLSQQFRLQK-MJVIPROJSA-N 1 0 332.322 3.209 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)C2CCC2)c2ccccc2)c1 ZINC000453376356 310273780 /nfs/dbraw/zinc/27/37/80/310273780.db2.gz IEDKXURNDASMMR-RBUKOAKNSA-N 1 0 326.396 3.435 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1CC(F)(F)C1 ZINC000453404645 310275238 /nfs/dbraw/zinc/27/52/38/310275238.db2.gz DPFJNXMPAUZZHS-LLVKDONJSA-N 1 0 341.358 3.337 10 5 EGBERO CC[C@@H](NC(=O)N[C@@H](C)c1nccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476221 310362564 /nfs/dbraw/zinc/36/25/64/310362564.db2.gz SPGHKFVNIMADSZ-SWLSCSKDSA-N 1 0 345.403 3.323 10 5 EGBERO COc1cccc([C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000505635574 312028911 /nfs/dbraw/zinc/02/89/11/312028911.db2.gz KCZIRORPWHJMSG-HNNXBMFYSA-N 1 0 341.411 3.487 10 5 EGBERO COc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000540296595 314373158 /nfs/dbraw/zinc/37/31/58/314373158.db2.gz FWEWFZCEAXHNRE-UHFFFAOYSA-N 1 0 339.411 3.299 10 5 EGBERO Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])on1 ZINC000552100896 315197798 /nfs/dbraw/zinc/19/77/98/315197798.db2.gz YPLXWFQRUYTJEH-PBHICJAKSA-N 1 0 329.400 3.435 10 5 EGBERO C[C@@H](Cc1ccccc1F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554527527 315328197 /nfs/dbraw/zinc/32/81/97/315328197.db2.gz BUOQDDDWKCNOPR-ZDUSSCGKSA-N 1 0 345.374 3.283 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@]4(C3)CCC[NH2+]C4)o2)c1 ZINC000564210667 316124247 /nfs/dbraw/zinc/12/42/47/316124247.db2.gz HFLCQPBGFXLVRL-LJQANCHMSA-N 1 0 341.411 3.430 10 5 EGBERO CC(C)c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000564597608 316172594 /nfs/dbraw/zinc/17/25/94/316172594.db2.gz OBLZSULTLRVYSF-UHFFFAOYSA-N 1 0 340.423 3.338 10 5 EGBERO Cc1ncncc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573814250 317531862 /nfs/dbraw/zinc/53/18/62/317531862.db2.gz CJJPVCCOTSHVKQ-NSHDSACASA-N 1 0 325.372 3.068 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1Br ZINC000230315407 456136384 /nfs/dbraw/zinc/13/63/84/456136384.db2.gz CHCRUDBZIAZZNP-OCCSQVGLSA-N 1 0 341.205 3.014 10 5 EGBERO CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000189578168 455219340 /nfs/dbraw/zinc/21/93/40/455219340.db2.gz PFVCLEMJZAHVEU-UHFFFAOYSA-N 1 0 333.432 3.222 10 5 EGBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264663626 455258610 /nfs/dbraw/zinc/25/86/10/455258610.db2.gz ZAYBCDNKYRRDGK-INIZCTEOSA-N 1 0 332.404 3.077 10 5 EGBERO CCc1ccc([C@H](N[C@@H]2CC[NH2+][C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600714476 460576433 /nfs/dbraw/zinc/57/64/33/460576433.db2.gz SCEGJZXFLROMTE-BJOOFOGMSA-N 1 0 329.400 3.180 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000181550582 455353586 /nfs/dbraw/zinc/35/35/86/455353586.db2.gz LZAOPHOAQKGEGQ-ZWKOTPCHSA-N 1 0 344.411 3.384 10 5 EGBERO C[NH+](C)Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029953428 453832921 /nfs/dbraw/zinc/83/29/21/453832921.db2.gz MBZZVFUXIWCYAP-UHFFFAOYSA-N 1 0 345.424 3.387 10 5 EGBERO CC[NH+](CC)CCOc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066808916 453875651 /nfs/dbraw/zinc/87/56/51/453875651.db2.gz ZCPIIPQNVLMNJR-UHFFFAOYSA-N 1 0 344.415 3.323 10 5 EGBERO O=[N+]([O-])c1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c(F)c1 ZINC000600885922 460631100 /nfs/dbraw/zinc/63/11/00/460631100.db2.gz ZQOBDMVURQAFAE-IAQYHMDHSA-N 1 0 349.387 3.393 10 5 EGBERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090559186 454321434 /nfs/dbraw/zinc/32/14/34/454321434.db2.gz KOGUGDFUFONUBO-CJNGLKHVSA-N 1 0 336.436 3.075 10 5 EGBERO COc1cc(N2CCC[C@H]([NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000091482408 454441022 /nfs/dbraw/zinc/44/10/22/454441022.db2.gz ZFKFDHTYBQIIEO-INIZCTEOSA-N 1 0 333.432 3.448 10 5 EGBERO C[NH+](C)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000091670242 454455778 /nfs/dbraw/zinc/45/57/78/454455778.db2.gz HNUIDNZIJPIECR-UHFFFAOYSA-N 1 0 329.400 3.381 10 5 EGBERO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000092656960 454602690 /nfs/dbraw/zinc/60/26/90/454602690.db2.gz XYJKUXVTPXBHHE-PWSUYJOCSA-N 1 0 329.347 3.115 10 5 EGBERO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775153 454633587 /nfs/dbraw/zinc/63/35/87/454633587.db2.gz NQBDIUNIFFCJFB-QGZVFWFLSA-N 1 0 326.400 3.091 10 5 EGBERO CC(C)c1nc2c(n1C)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000106370848 454692425 /nfs/dbraw/zinc/69/24/25/454692425.db2.gz NOYHLCLSPJGKAG-UHFFFAOYSA-N 1 0 328.416 3.053 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000162129615 454752494 /nfs/dbraw/zinc/75/24/94/454752494.db2.gz XEAGYVXRKCVNCF-RNCFNFMXSA-N 1 0 329.194 3.014 10 5 EGBERO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690615 454772137 /nfs/dbraw/zinc/77/21/37/454772137.db2.gz NMMUTMWSPIDJGX-IAGOWNOFSA-N 1 0 348.447 3.172 10 5 EGBERO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000138208621 454790185 /nfs/dbraw/zinc/79/01/85/454790185.db2.gz PKXOGCQJQDJTGG-VQCLRJIVSA-N 1 0 348.447 3.075 10 5 EGBERO O=[N+]([O-])c1ccc2oc(CN3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000177046028 454815971 /nfs/dbraw/zinc/81/59/71/454815971.db2.gz ANLBDGPYKCGBGP-UHFFFAOYSA-N 1 0 344.415 3.044 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151422983 454983376 /nfs/dbraw/zinc/98/33/76/454983376.db2.gz QBJZXAZBUNOAOG-WFASDCNBSA-N 1 0 342.848 3.393 10 5 EGBERO CCOC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612578845 460667814 /nfs/dbraw/zinc/66/78/14/460667814.db2.gz UJGUFHGWQQXAIR-UHFFFAOYSA-N 1 0 334.416 3.459 10 5 EGBERO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245561865 455330591 /nfs/dbraw/zinc/33/05/91/455330591.db2.gz CIUHOVIOGRUQBH-MAUKXSAKSA-N 1 0 344.415 3.143 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246547210 455506680 /nfs/dbraw/zinc/50/66/80/455506680.db2.gz WHEQKRIITWLYEE-YCPHGPKFSA-N 1 0 335.448 3.373 10 5 EGBERO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000247921112 455655098 /nfs/dbraw/zinc/65/50/98/455655098.db2.gz BWKCMRNQBBQJRX-MSOLQXFVSA-N 1 0 339.395 3.078 10 5 EGBERO CCC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284351815 455672411 /nfs/dbraw/zinc/67/24/11/455672411.db2.gz NJZMRPHSUYJDDS-XIRDDKMYSA-N 1 0 338.448 3.184 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249538215 455761468 /nfs/dbraw/zinc/76/14/68/455761468.db2.gz DBVJXEYZADCVPP-PVUWLOKVSA-N 1 0 332.425 3.425 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cs1 ZINC000269345430 455839737 /nfs/dbraw/zinc/83/97/37/455839737.db2.gz QGWSDMJLWGTSCQ-GFCCVEGCSA-N 1 0 328.459 3.191 10 5 EGBERO Cc1nc(C[C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)no1 ZINC000255037059 455859464 /nfs/dbraw/zinc/85/94/64/455859464.db2.gz YUDOMBKSNHAVFB-KKTNHOPESA-N 1 0 342.399 3.254 10 5 EGBERO CCn1cc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000195500843 455969705 /nfs/dbraw/zinc/96/97/05/455969705.db2.gz CRERDQKJZYVQPG-UHFFFAOYSA-N 1 0 344.415 3.070 10 5 EGBERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000188102939 455997498 /nfs/dbraw/zinc/99/74/98/455997498.db2.gz IUPHHXPGRQOSOB-CJNGLKHVSA-N 1 0 334.416 3.349 10 5 EGBERO COc1cc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000271014929 456097473 /nfs/dbraw/zinc/09/74/73/456097473.db2.gz YHSWEKAJRAEFQW-UHFFFAOYSA-N 1 0 339.411 3.301 10 5 EGBERO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301357859 456098052 /nfs/dbraw/zinc/09/80/52/456098052.db2.gz KZXKLVIDBQQADW-NSHDSACASA-N 1 0 329.347 3.483 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000301452750 456120985 /nfs/dbraw/zinc/12/09/85/456120985.db2.gz ARORXLZGTKVYNI-OLZOCXBDSA-N 1 0 337.395 3.194 10 5 EGBERO COC(=O)/C=C/c1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301586319 456152876 /nfs/dbraw/zinc/15/28/76/456152876.db2.gz PBNBCWCJULYQIL-QSTFCLMHSA-N 1 0 347.415 3.066 10 5 EGBERO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349840625 457073334 /nfs/dbraw/zinc/07/33/34/457073334.db2.gz RPTJISRFPHIYSE-IBGZPJMESA-N 1 0 325.412 3.301 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354144227 457091780 /nfs/dbraw/zinc/09/17/80/457091780.db2.gz RVLDBHMVCBASFW-IRXDYDNUSA-N 1 0 348.447 3.220 10 5 EGBERO Cn1cc(CNc2cc3c(c[nH+]2)CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339555726 457141920 /nfs/dbraw/zinc/14/19/20/457141920.db2.gz KWFQVKWZMKXGFN-UHFFFAOYSA-N 1 0 349.394 3.491 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3ncccc3O)o2)c1 ZINC000355337733 457359690 /nfs/dbraw/zinc/35/96/90/457359690.db2.gz RQQSPNQGBYCKAR-UHFFFAOYSA-N 1 0 325.324 3.245 10 5 EGBERO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000347356799 457371733 /nfs/dbraw/zinc/37/17/33/457371733.db2.gz XKGVBPCBMLDGAV-SJCJKPOMSA-N 1 0 340.383 3.058 10 5 EGBERO C[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000425942520 457656914 /nfs/dbraw/zinc/65/69/14/457656914.db2.gz FTVATWJGNWTZJW-DNVCBOLYSA-N 1 0 327.428 3.472 10 5 EGBERO COc1ccc(NC(=O)CC[NH2+][C@H]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000433080243 457752292 /nfs/dbraw/zinc/75/22/92/457752292.db2.gz BPGIQMVHTONDGD-ZUEPYMLJSA-N 1 0 347.415 3.100 10 5 EGBERO CCC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210987 457860919 /nfs/dbraw/zinc/86/09/19/457860919.db2.gz YMHOAIQVYVHXKM-QIJZBDPFSA-N 1 0 331.416 3.035 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000373779864 458601088 /nfs/dbraw/zinc/60/10/88/458601088.db2.gz ZOQARHLZGIFMJI-LPHOPBHVSA-N 1 0 342.395 3.471 10 5 EGBERO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000439413767 458699412 /nfs/dbraw/zinc/69/94/12/458699412.db2.gz UQRNWERRIQGOCI-AWEZNQCLSA-N 1 0 333.432 3.322 10 5 EGBERO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000475158437 458926847 /nfs/dbraw/zinc/92/68/47/458926847.db2.gz MMQVBEXLMQFKMF-IAGOWNOFSA-N 1 0 345.443 3.288 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511922 459069910 /nfs/dbraw/zinc/06/99/10/459069910.db2.gz SIRRWZJILBJFHX-VQHPVUNQSA-N 1 0 349.475 3.003 10 5 EGBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594522013 459078580 /nfs/dbraw/zinc/07/85/80/459078580.db2.gz WWUKOFNVFJCIDD-RRQGHBQHSA-N 1 0 349.431 3.249 10 5 EGBERO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000594966923 459197826 /nfs/dbraw/zinc/19/78/26/459197826.db2.gz DGXCDHZUYWPOJC-GFCCVEGCSA-N 1 0 338.404 3.061 10 5 EGBERO O=C(CC[NH2+][C@H]1C[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000521994582 459200995 /nfs/dbraw/zinc/20/09/95/459200995.db2.gz FLVJBOQMURABJE-ZBFHGGJFSA-N 1 0 343.358 3.208 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000594979124 459203417 /nfs/dbraw/zinc/20/34/17/459203417.db2.gz JDKKRAAOOZZJQF-YJBOKZPZSA-N 1 0 328.416 3.138 10 5 EGBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000594981786 459203443 /nfs/dbraw/zinc/20/34/43/459203443.db2.gz YXGURWCVQJMXBE-FPONKKPDSA-N 1 0 340.427 3.343 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H](O)C34CCC4)cs2)c1 ZINC000594985870 459204756 /nfs/dbraw/zinc/20/47/56/459204756.db2.gz BKBXOABPAHJRJI-HUUCEWRRSA-N 1 0 345.424 3.111 10 5 EGBERO COC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000595062950 459233129 /nfs/dbraw/zinc/23/31/29/459233129.db2.gz BHGCOEOCLIYDBJ-ZWKOTPCHSA-N 1 0 348.443 3.348 10 5 EGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000595074911 459238716 /nfs/dbraw/zinc/23/87/16/459238716.db2.gz WRGJGNRYZAWFPF-XQQFMLRXSA-N 1 0 347.444 3.353 10 5 EGBERO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000595084097 459240598 /nfs/dbraw/zinc/24/05/98/459240598.db2.gz FKNKVIXDSBOIPR-XCRHUMRWSA-N 1 0 328.416 3.390 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC000595090479 459242115 /nfs/dbraw/zinc/24/21/15/459242115.db2.gz CVKKJQVUZKDENJ-QZOMQWOVSA-N 1 0 332.444 3.447 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595101276 459245468 /nfs/dbraw/zinc/24/54/68/459245468.db2.gz ZJJDIFPHPRNJFH-AWEZNQCLSA-N 1 0 333.432 3.380 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000523039273 459277796 /nfs/dbraw/zinc/27/77/96/459277796.db2.gz FHQDQMHZVZWRCU-UHFFFAOYSA-N 1 0 333.432 3.096 10 5 EGBERO C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000560546065 459371202 /nfs/dbraw/zinc/37/12/02/459371202.db2.gz PRZTYWNBYMLHDQ-FHWLQOOXSA-N 1 0 331.460 3.380 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750839 459425437 /nfs/dbraw/zinc/42/54/37/459425437.db2.gz OKQAIJCUERSLBK-GOSISDBHSA-N 1 0 334.416 3.119 10 5 EGBERO COC(=O)c1cc(NCC[C@H](C)[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000541344816 459446854 /nfs/dbraw/zinc/44/68/54/459446854.db2.gz MORCTXWRDUZUSG-AWEZNQCLSA-N 1 0 349.431 3.366 10 5 EGBERO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591917719 459483750 /nfs/dbraw/zinc/48/37/50/459483750.db2.gz BHKRBMUQRVXWEQ-OAHLLOKOSA-N 1 0 344.459 3.037 10 5 EGBERO CCc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595935217 459489075 /nfs/dbraw/zinc/48/90/75/459489075.db2.gz BQUQNUSGOPJJDL-KRWDZBQOSA-N 1 0 345.443 3.009 10 5 EGBERO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596089980 459515933 /nfs/dbraw/zinc/51/59/33/459515933.db2.gz SCTZCYFZKYEZTI-NSHDSACASA-N 1 0 327.812 3.401 10 5 EGBERO CCc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542212089 459535086 /nfs/dbraw/zinc/53/50/86/459535086.db2.gz BMUXXIQMDLZDAP-QGZVFWFLSA-N 1 0 344.411 3.029 10 5 EGBERO CC(C)(C)CC(C)(C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596262299 459579191 /nfs/dbraw/zinc/57/91/91/459579191.db2.gz ZVDHHQJWHXTVIG-UHFFFAOYSA-N 1 0 336.436 3.032 10 5 EGBERO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308829 459592725 /nfs/dbraw/zinc/59/27/25/459592725.db2.gz WEXJBKDBBKENER-CQSZACIVSA-N 1 0 348.447 3.018 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592538636 459629423 /nfs/dbraw/zinc/62/94/23/459629423.db2.gz ZDJSFXBSWWZWSQ-HZPDHXFCSA-N 1 0 345.443 3.124 10 5 EGBERO CCC[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501033452 459706675 /nfs/dbraw/zinc/70/66/75/459706675.db2.gz DSNQLPPTHMGPFS-ZDUSSCGKSA-N 1 0 331.420 3.172 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)o1 ZINC000597231635 459886155 /nfs/dbraw/zinc/88/61/55/459886155.db2.gz PCMUBIDWQZLXLT-ZIAGYGMSSA-N 1 0 328.368 3.323 10 5 EGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000608899567 459893180 /nfs/dbraw/zinc/89/31/80/459893180.db2.gz ALTMFCZNUBQLRD-UHFFFAOYSA-N 1 0 349.306 3.174 10 5 EGBERO C[C@H]1c2ccccc2OCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609145500 459912458 /nfs/dbraw/zinc/91/24/58/459912458.db2.gz GUWISHZIBWIGDO-AWEZNQCLSA-N 1 0 328.368 3.429 10 5 EGBERO CC(C)c1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)cc1[N+](=O)[O-] ZINC000593675777 459946019 /nfs/dbraw/zinc/94/60/19/459946019.db2.gz BCRJGGXCKFPTLT-UHFFFAOYSA-N 1 0 343.431 3.222 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)s2)cc1 ZINC000593687647 459951174 /nfs/dbraw/zinc/95/11/74/459951174.db2.gz LTVXOUKNERLPPK-HMFCALDFSA-N 1 0 348.449 3.029 10 5 EGBERO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044543 460070066 /nfs/dbraw/zinc/07/00/66/460070066.db2.gz RPSIGQAEPPSBPH-DZGCQCFKSA-N 1 0 326.368 3.180 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597923180 460113770 /nfs/dbraw/zinc/11/37/70/460113770.db2.gz MLKRAJJYSBUNRF-GFCCVEGCSA-N 1 0 339.823 3.159 10 5 EGBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000599047300 460138970 /nfs/dbraw/zinc/13/89/70/460138970.db2.gz SOOAQAUUTAPWLR-CQSZACIVSA-N 1 0 326.400 3.065 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599059587 460145348 /nfs/dbraw/zinc/14/53/48/460145348.db2.gz YYBTVFLPFVTBJS-TUVASFSCSA-N 1 0 331.416 3.338 10 5 EGBERO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042716 460153028 /nfs/dbraw/zinc/15/30/28/460153028.db2.gz XCWIDUDZIHNTQF-HNNXBMFYSA-N 1 0 333.432 3.275 10 5 EGBERO CC1(C)C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000599094684 460159306 /nfs/dbraw/zinc/15/93/06/460159306.db2.gz XRJFXSDDKXYOEY-SJORKVTESA-N 1 0 343.427 3.060 10 5 EGBERO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600472463 460501161 /nfs/dbraw/zinc/50/11/61/460501161.db2.gz ZFSVHTSTDGTNCQ-CYBMUJFWSA-N 1 0 349.456 3.063 10 5 EGBERO CCC1([NH+](C)C)CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000601229204 460759038 /nfs/dbraw/zinc/75/90/38/460759038.db2.gz IUESKKYSKUEBFH-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)[C@@H]2C1 ZINC000646937629 461459028 /nfs/dbraw/zinc/45/90/28/461459028.db2.gz PDMBAZXRQLCXHQ-HNAYVOBHSA-N 1 0 331.419 3.164 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)C1CC1 ZINC000161421688 534887741 /nfs/dbraw/zinc/88/77/41/534887741.db2.gz JNGRAUDDGXKKLS-RTBURBONSA-N 1 0 340.423 3.282 10 5 EGBERO CC(C)n1ncc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cnc21 ZINC000171765106 528664586 /nfs/dbraw/zinc/66/45/86/528664586.db2.gz VAAHWYRJEWFSOV-UHFFFAOYSA-N 1 0 339.399 3.253 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000130560593 529174342 /nfs/dbraw/zinc/17/43/42/529174342.db2.gz JWJVHKGKCYRHER-IAGOWNOFSA-N 1 0 330.384 3.378 10 5 EGBERO C[NH+](C)C1(C)CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000871362151 1296371662 /nfs/dbraw/zinc/37/16/62/1296371662.db2.gz XQASJKSCTJZKFI-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000301277534 1296786437 /nfs/dbraw/zinc/78/64/37/1296786437.db2.gz LUWMNFLLHRUTNH-QGZVFWFLSA-N 1 0 340.379 3.451 10 5 EGBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[C@H]3CCCC3(F)F)C2)nc1 ZINC000878251854 1299863843 /nfs/dbraw/zinc/86/38/43/1299863843.db2.gz UVSDRQBLMSQTIZ-CHWSQXEVSA-N 1 0 340.374 3.302 10 5 EGBERO CSc1ccc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882497652 1301991554 /nfs/dbraw/zinc/99/15/54/1301991554.db2.gz PZLIFGKZCQTMCN-UHFFFAOYSA-N 1 0 349.456 3.017 10 5 EGBERO Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000893022971 1305663859 /nfs/dbraw/zinc/66/38/59/1305663859.db2.gz FKMMGAMBRLUSSW-GDBMZVCRSA-N 1 0 333.432 3.238 10 5 EGBERO COC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]c1C(C)C ZINC000894542622 1308947269 /nfs/dbraw/zinc/94/72/69/1308947269.db2.gz JTDUZXSMKVXODX-UHFFFAOYSA-N 1 0 345.399 3.431 10 5 EGBERO CC(C)c1ccc(C[NH+]2CCC3(CC2)COCCO3)cc1[N+](=O)[O-] ZINC000895695237 1309470906 /nfs/dbraw/zinc/47/09/06/1309470906.db2.gz SAHHVSDEEHNRNH-UHFFFAOYSA-N 1 0 334.416 3.100 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898463275 1310745102 /nfs/dbraw/zinc/74/51/02/1310745102.db2.gz XJSJXCKDDWKGAV-CYBMUJFWSA-N 1 0 342.399 3.346 10 5 EGBERO Cc1cccc2c1C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CO2 ZINC000858459746 1328767423 /nfs/dbraw/zinc/76/74/23/1328767423.db2.gz JZOFTUQBCMCHNU-JSGCOSHPSA-N 1 0 327.384 3.140 10 5 EGBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559577 1328795367 /nfs/dbraw/zinc/79/53/67/1328795367.db2.gz NCMKJKVTXHIDGJ-HUUCEWRRSA-N 1 0 339.395 3.105 10 5 EGBERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000930234592 1328817840 /nfs/dbraw/zinc/81/78/40/1328817840.db2.gz DKHAKOMYQJRTPY-GZMMTYOYSA-N 1 0 342.264 3.194 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922453998 1322531122 /nfs/dbraw/zinc/53/11/22/1322531122.db2.gz AAXRDFYZBRZPNJ-SMDDNHRTSA-N 1 0 332.322 3.411 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](N(C)C)C(F)(F)F ZINC000922754923 1322610666 /nfs/dbraw/zinc/61/06/66/1322610666.db2.gz PDKKWOXHZKODNP-LMRWQKIVSA-N 1 0 345.365 3.470 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922806647 1322622624 /nfs/dbraw/zinc/62/26/24/1322622624.db2.gz ZHRCMLYJKSMCCQ-OAHLLOKOSA-N 1 0 334.416 3.029 10 5 EGBERO COc1ccc(C[NH2+][C@@H](C)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000924840170 1323184778 /nfs/dbraw/zinc/18/47/78/1323184778.db2.gz BEODWNNJYBPBDR-LBPRGKRZSA-N 1 0 330.388 3.376 10 5 EGBERO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccnn1CC1CCC1 ZINC000925381951 1325136507 /nfs/dbraw/zinc/13/65/07/1325136507.db2.gz GDMNDVIFGSJQSI-CQSZACIVSA-N 1 0 344.415 3.321 10 5 EGBERO CCc1ccc([C@H](N[C@@H]2C[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000925783346 1325300682 /nfs/dbraw/zinc/30/06/82/1325300682.db2.gz JUZUBUMCXQWFCT-XHBKTUGNSA-N 1 0 329.400 3.037 10 5 EGBERO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000926303788 1325508714 /nfs/dbraw/zinc/50/87/14/1325508714.db2.gz NYHIZSHMAPJJMW-NXEZZACHSA-N 1 0 332.322 3.374 10 5 EGBERO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926922867 1327778561 /nfs/dbraw/zinc/77/85/61/1327778561.db2.gz MMCWWCYGBNNTGL-WDEREUQCSA-N 1 0 349.328 3.411 10 5 EGBERO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000926927229 1327780925 /nfs/dbraw/zinc/78/09/25/1327780925.db2.gz QIXHRUITAFJNHG-GFCCVEGCSA-N 1 0 340.305 3.124 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927163746 1327902270 /nfs/dbraw/zinc/90/22/70/1327902270.db2.gz NZPXUBLDZFMYCY-CJNGLKHVSA-N 1 0 347.415 3.003 10 5 EGBERO C[NH+]1CCC2(CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000865251701 1329680020 /nfs/dbraw/zinc/68/00/20/1329680020.db2.gz YESWWBAXNVTRRJ-UHFFFAOYSA-N 1 0 348.472 3.099 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CC1 ZINC000866055402 1330060479 /nfs/dbraw/zinc/06/04/79/1330060479.db2.gz WPDBRBWKCUKYNP-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCCS1 ZINC000866478803 1330117062 /nfs/dbraw/zinc/11/70/62/1330117062.db2.gz LHTDVQFFTIRVDS-DOMZBBRYSA-N 1 0 337.445 3.187 10 5 EGBERO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000868159712 1330256717 /nfs/dbraw/zinc/25/67/17/1330256717.db2.gz UGZMHCDZCXJWDD-JTQLQIEISA-N 1 0 340.811 3.148 10 5 EGBERO COCC[N@H+](C)CCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001184819143 1387544157 /nfs/dbraw/zinc/54/41/57/1387544157.db2.gz AMMNWWZBFTYATN-UHFFFAOYSA-N 1 0 336.219 3.282 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)cc1C ZINC001186258094 1387908604 /nfs/dbraw/zinc/90/86/04/1387908604.db2.gz GCAZEPRSNUJDIU-UHFFFAOYSA-N 1 0 349.431 3.002 10 5 EGBERO CCc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001198852478 1369129474 /nfs/dbraw/zinc/12/94/74/1369129474.db2.gz REUATKICOBAGLU-LJQANCHMSA-N 1 0 326.396 3.249 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CC[N@@H+]1C1CCCC1)CCCC2 ZINC001187242739 1388080099 /nfs/dbraw/zinc/08/00/99/1388080099.db2.gz MTXCFBHFFADFLI-OAHLLOKOSA-N 1 0 330.432 3.297 10 5 EGBERO CC[NH+]1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])cc2F)CC1 ZINC001187404464 1388103241 /nfs/dbraw/zinc/10/32/41/1388103241.db2.gz JMLBGDASLPZWBL-UHFFFAOYSA-N 1 0 345.378 3.014 10 5 EGBERO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC001187662435 1388138783 /nfs/dbraw/zinc/13/87/83/1388138783.db2.gz BPXXPSHANZJCPV-RISCZKNCSA-N 1 0 330.363 3.300 10 5 EGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001132400382 1375353604 /nfs/dbraw/zinc/35/36/04/1375353604.db2.gz IKMRWKGTCCSGOJ-ZDUSSCGKSA-N 1 0 337.445 3.183 10 5 EGBERO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)[NH+]1CCCC1 ZINC001162073482 1382619834 /nfs/dbraw/zinc/61/98/34/1382619834.db2.gz IITFIHBACVKASA-OAHLLOKOSA-N 1 0 337.468 3.432 10 5 EGBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001306932875 1383922467 /nfs/dbraw/zinc/92/24/67/1383922467.db2.gz PSGNFOMWHUJUPS-UONOGXRCSA-N 1 0 346.818 3.257 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](CC)C2)cc1C ZINC001306949665 1383925140 /nfs/dbraw/zinc/92/51/40/1383925140.db2.gz WUIQDRSCJJWTKG-AWEZNQCLSA-N 1 0 349.431 3.224 10 5 EGBERO CC(C)Oc1nc(NCCCCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001307219185 1383959725 /nfs/dbraw/zinc/95/97/25/1383959725.db2.gz LWJMKMYNFAXRQF-UHFFFAOYSA-N 1 0 345.403 3.189 10 5 EGBERO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001307486062 1383997394 /nfs/dbraw/zinc/99/73/94/1383997394.db2.gz DTMLTZUWBVOLKS-CVEARBPZSA-N 1 0 349.431 3.059 10 5 EGBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC001175193389 1385216437 /nfs/dbraw/zinc/21/64/37/1385216437.db2.gz CIQNFAWGJYSIKO-RBUKOAKNSA-N 1 0 342.395 3.172 10 5 EGBERO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)C1CC=CC1 ZINC001698626876 1406269099 /nfs/dbraw/zinc/26/90/99/1406269099.db2.gz HGEWHOCTRGILDA-UHFFFAOYSA-N 1 0 349.456 3.141 10 5 EGBERO CC1(CC(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001321045401 1386793435 /nfs/dbraw/zinc/79/34/35/1386793435.db2.gz UBUAZBSNUBGTDS-PLNGDYQASA-N 1 0 345.443 3.327 10 5 EGBERO C[C@H]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001321375049 1386889234 /nfs/dbraw/zinc/88/92/34/1386889234.db2.gz ZIWMWZUEKGQLDB-DBBLJFJQSA-N 1 0 345.443 3.183 10 5 EGBERO CC[NH+](CC)CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC001340052346 1390216040 /nfs/dbraw/zinc/21/60/40/1390216040.db2.gz QVFZFXGPEPGDDZ-JTQLQIEISA-N 1 0 345.241 3.285 10 5 EGBERO CC(C)(C)/C=C/C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479285068 1392205576 /nfs/dbraw/zinc/20/55/76/1392205576.db2.gz LFKTUFWQXREMDW-KZQNYRHTSA-N 1 0 345.443 3.182 10 5 EGBERO CC(C)=C(C)CC(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001481181068 1393143144 /nfs/dbraw/zinc/14/31/44/1393143144.db2.gz KACYJZYKNPFVKS-UHFFFAOYSA-N 1 0 345.443 3.422 10 5 EGBERO CCc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001481273546 1393156116 /nfs/dbraw/zinc/15/61/16/1393156116.db2.gz VSLRKSVMPBNVJA-UHFFFAOYSA-N 1 0 341.411 3.019 10 5 EGBERO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001691161164 1405096323 /nfs/dbraw/zinc/09/63/23/1405096323.db2.gz FKHGIKPRIZSZFD-SAZUREKKSA-N 1 0 345.443 3.015 10 5 EGBERO O=C(CC1CCC1)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001732226934 1428475141 /nfs/dbraw/zinc/47/51/41/1428475141.db2.gz BTIRIPQTOFFRHD-UHFFFAOYSA-N 1 0 345.443 3.304 10 5 EGBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ccco1 ZINC001732389035 1428559308 /nfs/dbraw/zinc/55/93/08/1428559308.db2.gz OGFHLKQYZUFWCJ-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO CC(C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001699244113 1412594991 /nfs/dbraw/zinc/59/49/91/1412594991.db2.gz IBFUSKBUFZJHBO-PLNGDYQASA-N 1 0 343.427 3.247 10 5 EGBERO Cc1ccsc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001699493559 1412888323 /nfs/dbraw/zinc/88/83/23/1412888323.db2.gz NIRHMGSMFPCKKQ-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(C)C ZINC001700182581 1413597450 /nfs/dbraw/zinc/59/74/50/1413597450.db2.gz BXYCZFOWUGDZGR-UHFFFAOYSA-N 1 0 335.448 3.311 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C12CCC(CC1)C2 ZINC001732584296 1428795094 /nfs/dbraw/zinc/79/50/94/1428795094.db2.gz RKDUJPQYDXAFML-UHFFFAOYSA-N 1 0 345.443 3.065 10 5 EGBERO O=C(CCC1CC1)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001701044971 1414702192 /nfs/dbraw/zinc/70/21/92/1414702192.db2.gz OLAOTRXDQFDIGF-UHFFFAOYSA-N 1 0 343.427 3.033 10 5 EGBERO C[N@H+](CCCNC(=O)CC1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001712966696 1417519741 /nfs/dbraw/zinc/51/97/41/1417519741.db2.gz OBMVTPRSAPDBPN-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO Cc1cc(C)cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001714570533 1419301891 /nfs/dbraw/zinc/30/18/91/1419301891.db2.gz IHORRCUFAMETEF-UHFFFAOYSA-N 1 0 341.411 3.073 10 5 EGBERO CCC1(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001714775734 1419502944 /nfs/dbraw/zinc/50/29/44/1419502944.db2.gz CVTCEKSREBMCCT-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO CCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001717118146 1421122618 /nfs/dbraw/zinc/12/26/18/1421122618.db2.gz NJOKGNFBUSCOQX-KOMQPUFPSA-N 1 0 333.432 3.160 10 5 EGBERO CCC(C)(CC)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001723594836 1424480725 /nfs/dbraw/zinc/48/07/25/1424480725.db2.gz HAURQHKYNMWBOE-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO C/C=C(\C)C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001723996890 1424620634 /nfs/dbraw/zinc/62/06/34/1424620634.db2.gz BIPJYPGFNSMLLH-LNKIKWGQSA-N 1 0 331.416 3.032 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CCCC1 ZINC001725139702 1425616782 /nfs/dbraw/zinc/61/67/82/1425616782.db2.gz DGFWBNUAMBUDNL-UHFFFAOYSA-N 1 0 345.443 3.279 10 5 EGBERO CC(C)CCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001725414418 1426058814 /nfs/dbraw/zinc/05/88/14/1426058814.db2.gz AVXIQGSVTMFUHW-UHFFFAOYSA-N 1 0 347.459 3.454 10 5 EGBERO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001731446199 1427423909 /nfs/dbraw/zinc/42/39/09/1427423909.db2.gz QWFCXYZVOCQYMU-SHTZXODSSA-N 1 0 333.432 3.014 10 5 EGBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C2CCC2)CC1 ZINC001733797763 1430063798 /nfs/dbraw/zinc/06/37/98/1430063798.db2.gz OYWPIGZKXYPYTD-UHFFFAOYSA-N 1 0 345.443 3.256 10 5 EGBERO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000181544842 529619716 /nfs/dbraw/zinc/61/97/16/529619716.db2.gz JNSSIQWJJYOYND-IRXDYDNUSA-N 1 0 345.355 3.277 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(Cl)c1 ZINC000040153819 213274394 /nfs/dbraw/zinc/27/43/94/213274394.db2.gz HSXKUBOXIJTMDV-WBMJQRKESA-N 1 0 339.823 3.161 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000183389117 235041753 /nfs/dbraw/zinc/04/17/53/235041753.db2.gz BIWJKRFZQVUUIA-IBGZPJMESA-N 1 0 348.443 3.453 10 5 EGBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000071936982 215975303 /nfs/dbraw/zinc/97/53/03/215975303.db2.gz FJDAADUAVOCYAM-LLVKDONJSA-N 1 0 342.827 3.346 10 5 EGBERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130508269 223158146 /nfs/dbraw/zinc/15/81/46/223158146.db2.gz BPMYVKODPNIAOD-DYVFJYSZSA-N 1 0 330.384 3.296 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132834969 223366554 /nfs/dbraw/zinc/36/65/54/223366554.db2.gz KWIONBWQNWCSNA-QZTJIDSGSA-N 1 0 333.432 3.083 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000245572925 243130653 /nfs/dbraw/zinc/13/06/53/243130653.db2.gz CRSXDXBOQJHGQA-CABCVRRESA-N 1 0 346.431 3.302 10 5 EGBERO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)c1c[nH]c2ccccc12 ZINC000338362689 141106859 /nfs/dbraw/zinc/10/68/59/141106859.db2.gz UQELWDVEIZRTSC-UHFFFAOYSA-N 1 0 337.379 3.433 10 5 EGBERO COC1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000344611692 144198650 /nfs/dbraw/zinc/19/86/50/144198650.db2.gz MGXDJFKVNVMWKJ-UHFFFAOYSA-N 1 0 344.358 3.491 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341268870 155220171 /nfs/dbraw/zinc/22/01/71/155220171.db2.gz MNBVAIDXXNKLOL-HYXAFXHYSA-N 1 0 335.310 3.394 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCOCC4(CC4)C3)o2)c1 ZINC000341522376 155332861 /nfs/dbraw/zinc/33/28/61/155332861.db2.gz DHUXNDBCDWBDQQ-UHFFFAOYSA-N 1 0 328.368 3.467 10 5 EGBERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3)cccc21 ZINC000345517021 156131202 /nfs/dbraw/zinc/13/12/02/156131202.db2.gz FTEVMULJZKJYSE-MRXNPFEDSA-N 1 0 341.367 3.232 10 5 EGBERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000368844557 157304376 /nfs/dbraw/zinc/30/43/76/157304376.db2.gz NTPZOUXZVAIVKF-MRXNPFEDSA-N 1 0 345.399 3.299 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)cccc1[N+](=O)[O-] ZINC000180639234 162753681 /nfs/dbraw/zinc/75/36/81/162753681.db2.gz NIMAAOMZUOHEOI-ZIAGYGMSSA-N 1 0 343.431 3.284 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000344430595 164177563 /nfs/dbraw/zinc/17/75/63/164177563.db2.gz DGRZGRFOZDJYED-KRWDZBQOSA-N 1 0 326.400 3.456 10 5 EGBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000353904079 165918240 /nfs/dbraw/zinc/91/82/40/165918240.db2.gz REAFKRMAXINPMM-QGZVFWFLSA-N 1 0 347.459 3.298 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000359079852 167061065 /nfs/dbraw/zinc/06/10/65/167061065.db2.gz CESCAMNWTMZAAL-INIZCTEOSA-N 1 0 326.400 3.293 10 5 EGBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359539668 167186092 /nfs/dbraw/zinc/18/60/92/167186092.db2.gz BPBXPWIHCDAHEH-QWQRMKEZSA-N 1 0 331.416 3.434 10 5 EGBERO CC[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176147057 265159942 /nfs/dbraw/zinc/15/99/42/265159942.db2.gz KKCAJOIONHIRNI-QGZVFWFLSA-N 1 0 348.447 3.220 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286636934 276026126 /nfs/dbraw/zinc/02/61/26/276026126.db2.gz SUTHWJBYISJRCY-MPKXVKKWSA-N 1 0 332.322 3.149 10 5 EGBERO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342794556 278788220 /nfs/dbraw/zinc/78/82/20/278788220.db2.gz LOGTZOFLATVAPT-UHFFFAOYSA-N 1 0 339.461 3.303 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000296491740 308433423 /nfs/dbraw/zinc/43/34/23/308433423.db2.gz ORVBACAYWPKVDT-ZIEJDFEHSA-N 1 0 342.386 3.300 10 5 EGBERO COc1ccc(-c2ccc(CN[C@H]3CCCC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415064050 309117721 /nfs/dbraw/zinc/11/77/21/309117721.db2.gz BNUXSUCXKKZFIA-ZDUSSCGKSA-N 1 0 345.399 3.095 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415702174 309141420 /nfs/dbraw/zinc/14/14/20/309141420.db2.gz PDUFSYWPGUXJDN-GOSISDBHSA-N 1 0 346.431 3.110 10 5 EGBERO CC[NH2+]Cc1ccccc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000415935687 309149785 /nfs/dbraw/zinc/14/97/85/309149785.db2.gz VCYREOVQERYXRF-UHFFFAOYSA-N 1 0 342.399 3.069 10 5 EGBERO CCC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421852827 309343371 /nfs/dbraw/zinc/34/33/71/309343371.db2.gz HXYDQBAORSYUGM-CKEIUWERSA-N 1 0 333.432 3.317 10 5 EGBERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc21 ZINC000447728286 309986921 /nfs/dbraw/zinc/98/69/21/309986921.db2.gz LIYXAOXWKIWWCR-HNNXBMFYSA-N 1 0 341.367 3.232 10 5 EGBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425652 310061134 /nfs/dbraw/zinc/06/11/34/310061134.db2.gz QEPXDBMHTYVQAT-BBRMVZONSA-N 1 0 330.384 3.448 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)o1 ZINC000449466406 310064460 /nfs/dbraw/zinc/06/44/60/310064460.db2.gz GTJWMEYALKLIIA-MRXNPFEDSA-N 1 0 338.310 3.057 10 5 EGBERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449498760 310066982 /nfs/dbraw/zinc/06/69/82/310066982.db2.gz LBFAKCDZWOJRSX-OAHLLOKOSA-N 1 0 327.384 3.383 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c(F)c1 ZINC000449535118 310069787 /nfs/dbraw/zinc/06/97/87/310069787.db2.gz MNEPHXBACMCYFL-RHSMWYFYSA-N 1 0 331.347 3.139 10 5 EGBERO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000449775950 310086355 /nfs/dbraw/zinc/08/63/55/310086355.db2.gz NQXOYZRQJSADNZ-LBPRGKRZSA-N 1 0 344.358 3.445 10 5 EGBERO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450419154 310121349 /nfs/dbraw/zinc/12/13/49/310121349.db2.gz NLAXKBAJSJZZKZ-GJZGRUSLSA-N 1 0 326.400 3.089 10 5 EGBERO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450859004 310146294 /nfs/dbraw/zinc/14/62/94/310146294.db2.gz LMVBQHLFVCIAPC-XKQJLSEDSA-N 1 0 332.400 3.041 10 5 EGBERO C[C@H]([NH2+]CCOCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451107495 310160986 /nfs/dbraw/zinc/16/09/86/310160986.db2.gz SISLUNRJZFCIFZ-HNNXBMFYSA-N 1 0 330.384 3.341 10 5 EGBERO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000451109717 310161080 /nfs/dbraw/zinc/16/10/80/310161080.db2.gz YRCLSCRKZHDLIY-QWHCGFSZSA-N 1 0 345.374 3.262 10 5 EGBERO CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751215 311287027 /nfs/dbraw/zinc/28/70/27/311287027.db2.gz RYRXPXRNJFQOMN-HOTGVXAUSA-N 1 0 334.416 3.242 10 5 EGBERO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000510140776 312133966 /nfs/dbraw/zinc/13/39/66/312133966.db2.gz VCNGGAKQMAPCHF-UHFFFAOYSA-N 1 0 328.368 3.391 10 5 EGBERO COC(=O)c1ccc(F)c(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000511174340 312156563 /nfs/dbraw/zinc/15/65/63/312156563.db2.gz ODOLIGQWOSRYRZ-LLVKDONJSA-N 1 0 332.331 3.371 10 5 EGBERO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532388492 313792915 /nfs/dbraw/zinc/79/29/15/313792915.db2.gz NGOZMEOXQNSBLH-UHFFFAOYSA-N 1 0 340.383 3.228 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000539063065 314293682 /nfs/dbraw/zinc/29/36/82/314293682.db2.gz POUNMWXKWPJZAK-AAEUAGOBSA-N 1 0 341.358 3.479 10 5 EGBERO COC(=O)c1cccc(OCC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539376917 314309621 /nfs/dbraw/zinc/30/96/21/314309621.db2.gz GEPNYHWZXBQBQR-CYBMUJFWSA-N 1 0 344.367 3.111 10 5 EGBERO Cc1c(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000550682019 315132317 /nfs/dbraw/zinc/13/23/17/315132317.db2.gz GXDHYYOHKHAQLQ-MJGOQNOKSA-N 1 0 325.412 3.438 10 5 EGBERO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000563774178 316066525 /nfs/dbraw/zinc/06/65/25/316066525.db2.gz KPSIGNFMLIJZTK-UHFFFAOYSA-N 1 0 341.411 3.234 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1N1CCC[N@@H+](C3CCCC3)CC1)CCCC2 ZINC000564892298 316227284 /nfs/dbraw/zinc/22/72/84/316227284.db2.gz IFQJJMLSVLLDMY-UHFFFAOYSA-N 1 0 344.459 3.323 10 5 EGBERO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC000566967700 316551193 /nfs/dbraw/zinc/55/11/93/316551193.db2.gz FHWTVXRLAKPSIF-CYGXGOLOSA-N 1 0 343.427 3.412 10 5 EGBERO Cc1c(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cccc1[N+](=O)[O-] ZINC000182039955 323522037 /nfs/dbraw/zinc/52/20/37/323522037.db2.gz STHVGXJVSRVAOR-CQSZACIVSA-N 1 0 337.383 3.335 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3ccnn3)s2)cc1 ZINC000184248346 323649243 /nfs/dbraw/zinc/64/92/43/323649243.db2.gz YFCLGCXWWUYLHM-UHFFFAOYSA-N 1 0 343.412 3.095 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000578771015 325016520 /nfs/dbraw/zinc/01/65/20/325016520.db2.gz CGJBTHGWVIAKRN-CRPZLVSXSA-N 1 0 334.441 3.206 10 5 EGBERO CSC[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000075144097 453866581 /nfs/dbraw/zinc/86/65/81/453866581.db2.gz BKLWVYSOXSIKGW-ZDUSSCGKSA-N 1 0 347.440 3.477 10 5 EGBERO Cc1ccc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000071911686 454254082 /nfs/dbraw/zinc/25/40/82/454254082.db2.gz DKNUAOYEQROYCB-UHFFFAOYSA-N 1 0 346.431 3.432 10 5 EGBERO COc1cccc(N2CC[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000071924600 454260458 /nfs/dbraw/zinc/26/04/58/454260458.db2.gz LMEONLCLQMLVQC-MRXNPFEDSA-N 1 0 341.411 3.220 10 5 EGBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090092854 454277515 /nfs/dbraw/zinc/27/75/15/454277515.db2.gz PKQALYDSZBNDCD-GDBMZVCRSA-N 1 0 338.411 3.330 10 5 EGBERO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551285 454319465 /nfs/dbraw/zinc/31/94/65/454319465.db2.gz RHEBNGXLOYIRBV-XJKSGUPXSA-N 1 0 345.399 3.131 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264367 454719343 /nfs/dbraw/zinc/71/93/43/454719343.db2.gz LJLSGNRXAMUOKD-GFCCVEGCSA-N 1 0 340.811 3.196 10 5 EGBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178678190 454966995 /nfs/dbraw/zinc/96/69/95/454966995.db2.gz BMIUOOIVNVVYFV-SUMWQHHRSA-N 1 0 333.432 3.473 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000179406967 455045346 /nfs/dbraw/zinc/04/53/46/455045346.db2.gz JVULNSDSBFZNBV-GFCCVEGCSA-N 1 0 348.374 3.476 10 5 EGBERO C[NH+](C)Cc1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000130076695 455140996 /nfs/dbraw/zinc/14/09/96/455140996.db2.gz FGEGXMYVKYIYPE-UHFFFAOYSA-N 1 0 338.367 3.390 10 5 EGBERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157582832 455210681 /nfs/dbraw/zinc/21/06/81/455210681.db2.gz IQCLMOMSIULNQP-SJCJKPOMSA-N 1 0 346.431 3.239 10 5 EGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190487600 455330696 /nfs/dbraw/zinc/33/06/96/455330696.db2.gz OIABSBKGFBBUPX-OAHLLOKOSA-N 1 0 346.456 3.005 10 5 EGBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2ccccc2c1 ZINC000181487123 455342442 /nfs/dbraw/zinc/34/24/42/455342442.db2.gz NHIGDAKKTHCNNM-AWEZNQCLSA-N 1 0 337.379 3.261 10 5 EGBERO CC[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537230 455351361 /nfs/dbraw/zinc/35/13/61/455351361.db2.gz ADJNAPYVKPCQFW-PGEKIEPBSA-N 1 0 333.432 3.330 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000185653233 455589745 /nfs/dbraw/zinc/58/97/45/455589745.db2.gz YVSYZDRHGJELSQ-AAXUHFPESA-N 1 0 346.427 3.172 10 5 EGBERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccs1 ZINC000247459188 455604434 /nfs/dbraw/zinc/60/44/34/455604434.db2.gz QVUWVDSCSFCWIW-ABAIWWIYSA-N 1 0 349.412 3.062 10 5 EGBERO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1cccc([N+](=O)[O-])c1 ZINC000192485130 455628820 /nfs/dbraw/zinc/62/88/20/455628820.db2.gz BGKWZGKAACZZMO-NSHDSACASA-N 1 0 343.408 3.359 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccs1 ZINC000192798673 455696054 /nfs/dbraw/zinc/69/60/54/455696054.db2.gz NHRYQKDDJSUUNZ-LLVKDONJSA-N 1 0 349.412 3.344 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248387126 455710784 /nfs/dbraw/zinc/71/07/84/455710784.db2.gz AFTWOOMMCTXBNA-LESCRADOSA-N 1 0 347.459 3.105 10 5 EGBERO COC(=O)c1cc(NC2CC[NH+](CC(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301586549 456153271 /nfs/dbraw/zinc/15/32/71/456153271.db2.gz VWZMVFFENLZWID-UHFFFAOYSA-N 1 0 349.431 3.222 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1-c1ccccc1 ZINC000301896085 456244238 /nfs/dbraw/zinc/24/42/38/456244238.db2.gz YXHPPIZZVCKBFV-MRXNPFEDSA-N 1 0 338.411 3.331 10 5 EGBERO COc1cc(C[NH2+][C@@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352785336 456304976 /nfs/dbraw/zinc/30/49/76/456304976.db2.gz XQFNIWSDMSYKOX-INIZCTEOSA-N 1 0 330.384 3.207 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340275076 456354447 /nfs/dbraw/zinc/35/44/47/456354447.db2.gz AWSLWNHYMNYWOW-MJGOQNOKSA-N 1 0 341.411 3.138 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343259951 456491009 /nfs/dbraw/zinc/49/10/09/456491009.db2.gz DACDETPLSOLOLQ-GOSISDBHSA-N 1 0 339.395 3.222 10 5 EGBERO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310891796 456585684 /nfs/dbraw/zinc/58/56/84/456585684.db2.gz ZENARDGNMOQOHN-BRWVUGGUSA-N 1 0 338.411 3.312 10 5 EGBERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000283354672 456764815 /nfs/dbraw/zinc/76/48/15/456764815.db2.gz MRTVYBRUBMPKBG-NJAFHUGGSA-N 1 0 348.443 3.203 10 5 EGBERO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000338323555 456771195 /nfs/dbraw/zinc/77/11/95/456771195.db2.gz ZEBUFCQLHSBGMD-UHFFFAOYSA-N 1 0 326.780 3.214 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H](O)C(F)(F)F)o2)c1 ZINC000349296731 456935281 /nfs/dbraw/zinc/93/52/81/456935281.db2.gz LWIPGGFSUBJBBS-AWEZNQCLSA-N 1 0 344.289 3.258 10 5 EGBERO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000354555466 457286570 /nfs/dbraw/zinc/28/65/70/457286570.db2.gz SOTQPCIJXYLZFF-UHFFFAOYSA-N 1 0 339.823 3.100 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000360918102 457431466 /nfs/dbraw/zinc/43/14/66/457431466.db2.gz IFUPRWYFRWUNHN-RHSMWYFYSA-N 1 0 341.411 3.431 10 5 EGBERO CC(C)(C)N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000425474315 457569689 /nfs/dbraw/zinc/56/96/89/457569689.db2.gz INQXUBFFIARCSO-WBVHZDCISA-N 1 0 345.443 3.174 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364800334 457696166 /nfs/dbraw/zinc/69/61/66/457696166.db2.gz PCQSXKQCCIZRLV-AWEZNQCLSA-N 1 0 344.390 3.402 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000364866384 457708501 /nfs/dbraw/zinc/70/85/01/457708501.db2.gz XATWJTSNRCTVOE-IAOVAPTHSA-N 1 0 334.416 3.288 10 5 EGBERO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000434952436 458070685 /nfs/dbraw/zinc/07/06/85/458070685.db2.gz XGFFQJSLOGEPLA-GFCCVEGCSA-N 1 0 326.809 3.420 10 5 EGBERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526882 458082000 /nfs/dbraw/zinc/08/20/00/458082000.db2.gz YIQKDHZYMRZNAH-SJORKVTESA-N 1 0 348.447 3.170 10 5 EGBERO C[C@@H](CSc1nc2cc3ccccc3cc2c(=O)n1C)[NH+](C)C ZINC000412989285 458289908 /nfs/dbraw/zinc/28/99/08/458289908.db2.gz MZHJAPZYAUAPLS-LBPRGKRZSA-N 1 0 327.453 3.129 10 5 EGBERO COc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447603565 458320672 /nfs/dbraw/zinc/32/06/72/458320672.db2.gz WYOMOOFMCURRCK-CABCVRRESA-N 1 0 348.378 3.213 10 5 EGBERO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000464590086 458762227 /nfs/dbraw/zinc/76/22/27/458762227.db2.gz DTVJTNSXHJSQCR-OAHLLOKOSA-N 1 0 334.416 3.457 10 5 EGBERO CC(C)(C)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000530461798 458773157 /nfs/dbraw/zinc/77/31/57/458773157.db2.gz OPBWWJQDPVOBRW-HNNXBMFYSA-N 1 0 336.432 3.093 10 5 EGBERO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2nccn21 ZINC000556455548 458963624 /nfs/dbraw/zinc/96/36/24/458963624.db2.gz WBBGDQWHAJDLBC-BZNIZROVSA-N 1 0 325.372 3.111 10 5 EGBERO Cc1nc2ccccn2c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577654307 459068903 /nfs/dbraw/zinc/06/89/03/459068903.db2.gz SAYIIQWYAHQQMQ-UHFFFAOYSA-N 1 0 349.394 3.365 10 5 EGBERO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000594521111 459078918 /nfs/dbraw/zinc/07/89/18/459078918.db2.gz LWNQCRNKVJJGOX-KKUMJFAQSA-N 1 0 338.452 3.316 10 5 EGBERO COc1cccc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC000594545770 459085358 /nfs/dbraw/zinc/08/53/58/459085358.db2.gz HNKKBSRKWMUPNT-UHFFFAOYSA-N 1 0 345.399 3.156 10 5 EGBERO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000594581124 459096705 /nfs/dbraw/zinc/09/67/05/459096705.db2.gz RQXVZMSJEUIDBT-ZDUSSCGKSA-N 1 0 345.346 3.303 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000594739312 459147918 /nfs/dbraw/zinc/14/79/18/459147918.db2.gz UVHKFOPKEYKICG-RTBURBONSA-N 1 0 325.412 3.139 10 5 EGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595058347 459230006 /nfs/dbraw/zinc/23/00/06/459230006.db2.gz ACFXTBBLYVYESP-KMCQBPLKSA-N 1 0 336.432 3.120 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000595062972 459233497 /nfs/dbraw/zinc/23/34/97/459233497.db2.gz YIDVKFOUBVIAIY-SFHVURJKSA-N 1 0 339.395 3.008 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cccc1[N+](=O)[O-] ZINC000595072256 459237040 /nfs/dbraw/zinc/23/70/40/459237040.db2.gz QZDDZFVUWATYHB-BBRMVZONSA-N 1 0 339.395 3.142 10 5 EGBERO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000595074174 459237231 /nfs/dbraw/zinc/23/72/31/459237231.db2.gz UTIAHRCJRUGPKV-CJNGLKHVSA-N 1 0 339.395 3.142 10 5 EGBERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000595072341 459237311 /nfs/dbraw/zinc/23/73/11/459237311.db2.gz RVLRWKKHFDKKDI-VRKREXBASA-N 1 0 341.415 3.193 10 5 EGBERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000595072339 459237566 /nfs/dbraw/zinc/23/75/66/459237566.db2.gz RVLRWKKHFDKKDI-CLWVCHIJSA-N 1 0 341.415 3.193 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595230343 459259680 /nfs/dbraw/zinc/25/96/80/459259680.db2.gz QACGNVBXKLKXNL-OAHLLOKOSA-N 1 0 346.431 3.147 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000559643149 459271327 /nfs/dbraw/zinc/27/13/27/459271327.db2.gz ZMYURVLCJUFAQJ-GASCZTMLSA-N 1 0 347.459 3.252 10 5 EGBERO COc1ccc([C@@H](C)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000595423157 459295366 /nfs/dbraw/zinc/29/53/66/459295366.db2.gz JPGGBGKNENSQJO-ZDUSSCGKSA-N 1 0 327.384 3.160 10 5 EGBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1nsc3ccccc13)CC2 ZINC000595423234 459296093 /nfs/dbraw/zinc/29/60/93/459296093.db2.gz KPFIAJSMTWEVMX-UHFFFAOYSA-N 1 0 340.408 3.200 10 5 EGBERO O=C(CC[NH+]1CCC(c2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595616974 459370155 /nfs/dbraw/zinc/37/01/55/459370155.db2.gz TVNDPHHSAKUZCP-UHFFFAOYSA-N 1 0 343.383 3.396 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000595641146 459380607 /nfs/dbraw/zinc/38/06/07/459380607.db2.gz CEDROXNSRNIBOQ-UHFFFAOYSA-N 1 0 331.416 3.240 10 5 EGBERO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595687533 459397326 /nfs/dbraw/zinc/39/73/26/459397326.db2.gz BXPACXZULHNYAF-HDICACEKSA-N 1 0 343.383 3.108 10 5 EGBERO Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])cc12 ZINC000561331086 459444691 /nfs/dbraw/zinc/44/46/91/459444691.db2.gz YJYDSHHIBKLFFA-LLVKDONJSA-N 1 0 325.372 3.036 10 5 EGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC(F)CC1 ZINC000595817682 459451326 /nfs/dbraw/zinc/45/13/26/459451326.db2.gz AXRLDOWLQGKJBC-IYXRBSQSSA-N 1 0 337.395 3.430 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595852198 459464589 /nfs/dbraw/zinc/46/45/89/459464589.db2.gz YWVRIQQDHUGMGG-CABCVRRESA-N 1 0 333.432 3.201 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595852262 459465231 /nfs/dbraw/zinc/46/52/31/459465231.db2.gz YWVRIQQDHUGMGG-HUUCEWRRSA-N 1 0 333.432 3.201 10 5 EGBERO Cc1ccccc1C1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000592139377 459534472 /nfs/dbraw/zinc/53/44/72/459534472.db2.gz BGXBPNUGSAQYOY-UHFFFAOYSA-N 1 0 325.368 3.121 10 5 EGBERO CCC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141265 459534712 /nfs/dbraw/zinc/53/47/12/459534712.db2.gz HSMUHDFLQRVHOF-LBPRGKRZSA-N 1 0 341.839 3.425 10 5 EGBERO Cc1ccc(C2([NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCC2)cc1 ZINC000592189841 459548003 /nfs/dbraw/zinc/54/80/03/459548003.db2.gz XPGVKWBLYFIBEB-UHFFFAOYSA-N 1 0 339.395 3.171 10 5 EGBERO C[NH+]1CCC2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000596239132 459571067 /nfs/dbraw/zinc/57/10/67/459571067.db2.gz XONQJOSRARCSDW-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO C[NH+]1CCC2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000596238198 459571552 /nfs/dbraw/zinc/57/15/52/459571552.db2.gz LMFIQRREIWYYNY-UHFFFAOYSA-N 1 0 326.400 3.065 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596308704 459592328 /nfs/dbraw/zinc/59/23/28/459592328.db2.gz LJNGQRLDDVXHLC-VIFPVBQESA-N 1 0 332.326 3.293 10 5 EGBERO O=[N+]([O-])c1cccc(F)c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314817 459593260 /nfs/dbraw/zinc/59/32/60/459593260.db2.gz RJALJTQIUMFMFI-UHFFFAOYSA-N 1 0 337.395 3.037 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000596656437 459716752 /nfs/dbraw/zinc/71/67/52/459716752.db2.gz CFJJHWCZORVTFI-HNNXBMFYSA-N 1 0 348.447 3.002 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1 ZINC000593024657 459744336 /nfs/dbraw/zinc/74/43/36/459744336.db2.gz JKIXVPLPZBEGJW-GFCCVEGCSA-N 1 0 348.321 3.448 10 5 EGBERO CCC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000501806121 459746390 /nfs/dbraw/zinc/74/63/90/459746390.db2.gz QZJAWNMPSLMOQB-YJBOKZPZSA-N 1 0 335.448 3.089 10 5 EGBERO COc1ccc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000593041972 459752202 /nfs/dbraw/zinc/75/22/02/459752202.db2.gz UGDUXUPLUSCWLB-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000593461345 459895630 /nfs/dbraw/zinc/89/56/30/459895630.db2.gz KIZTUQSKYHPGQJ-CQSZACIVSA-N 1 0 326.400 3.065 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598465458 459903831 /nfs/dbraw/zinc/90/38/31/459903831.db2.gz NMJLGEJMBUYDHF-GFCCVEGCSA-N 1 0 339.411 3.074 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598465461 459903905 /nfs/dbraw/zinc/90/39/05/459903905.db2.gz NMJLGEJMBUYDHF-LBPRGKRZSA-N 1 0 339.411 3.074 10 5 EGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000609354372 459949718 /nfs/dbraw/zinc/94/97/18/459949718.db2.gz ZLOKPNBMJDPIER-OKILXGFUSA-N 1 0 328.416 3.240 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593716171 459960912 /nfs/dbraw/zinc/96/09/12/459960912.db2.gz QMCPSOANNFLMIG-MGPUTAFESA-N 1 0 340.423 3.430 10 5 EGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000589511047 460096612 /nfs/dbraw/zinc/09/66/12/460096612.db2.gz YJPKQDWLGMIWKN-CYBMUJFWSA-N 1 0 332.400 3.394 10 5 EGBERO COc1cccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)OC)c1 ZINC000598987992 460118412 /nfs/dbraw/zinc/11/84/12/460118412.db2.gz NQRPTJLXRBYZHI-SFHVURJKSA-N 1 0 330.384 3.389 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cs2)c1 ZINC000599007651 460125519 /nfs/dbraw/zinc/12/55/19/460125519.db2.gz RXYJQIJUMWMYLT-BBRMVZONSA-N 1 0 345.424 3.375 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000599058818 460146095 /nfs/dbraw/zinc/14/60/95/460146095.db2.gz VRUVAGDYWLHDFP-NOVWEMISSA-N 1 0 340.427 3.444 10 5 EGBERO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598041781 460151310 /nfs/dbraw/zinc/15/13/10/460151310.db2.gz MVCMPBRQLCGLBB-OAHLLOKOSA-N 1 0 347.459 3.449 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1ccc([N+](=O)[O-])cc1 ZINC000599075074 460153642 /nfs/dbraw/zinc/15/36/42/460153642.db2.gz SDSPXOZAEAGZHI-YVEFUNNKSA-N 1 0 325.368 3.072 10 5 EGBERO C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689237 460312725 /nfs/dbraw/zinc/31/27/25/460312725.db2.gz HWJBWUKZARIMGU-INQOVCNISA-N 1 0 334.416 3.013 10 5 EGBERO COc1cc(C[NH+]2CCC(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000611516884 460385022 /nfs/dbraw/zinc/38/50/22/460385022.db2.gz FOYIWGCVNOJWDT-UHFFFAOYSA-N 1 0 327.384 3.378 10 5 EGBERO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1OC ZINC000600190467 460430389 /nfs/dbraw/zinc/43/03/89/460430389.db2.gz PMOSVWYQIPPBFF-OLZOCXBDSA-N 1 0 338.429 3.082 10 5 EGBERO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555664 460831256 /nfs/dbraw/zinc/83/12/56/460831256.db2.gz FQESMXVSNOVAOL-FZMZJTMJSA-N 1 0 345.424 3.024 10 5 EGBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000601744426 460888181 /nfs/dbraw/zinc/88/81/81/460888181.db2.gz LQUSMRXPCMFCAL-UHFFFAOYSA-N 1 0 349.406 3.215 10 5 EGBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187916915 534202845 /nfs/dbraw/zinc/20/28/45/534202845.db2.gz REEIZEKJCPSAGZ-FZKQIMNGSA-N 1 0 345.399 3.233 10 5 EGBERO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261916467 517392468 /nfs/dbraw/zinc/39/24/68/517392468.db2.gz UMFPEMCZEHUGMI-OAHLLOKOSA-N 1 0 333.432 3.092 10 5 EGBERO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000154144232 528595233 /nfs/dbraw/zinc/59/52/33/528595233.db2.gz HUOJWFGWKMGFHU-RHSMWYFYSA-N 1 0 344.411 3.420 10 5 EGBERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872020142 1296662078 /nfs/dbraw/zinc/66/20/78/1296662078.db2.gz DLVZHMVYLFQRKD-GFCCVEGCSA-N 1 0 337.395 3.032 10 5 EGBERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053656 1296704174 /nfs/dbraw/zinc/70/41/74/1296704174.db2.gz WIAVXDVCTRRVTD-OZVIIMIRSA-N 1 0 340.420 3.439 10 5 EGBERO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872064284 1296710038 /nfs/dbraw/zinc/71/00/38/1296710038.db2.gz FETCTODEDUTKOW-ZFWWWQNUSA-N 1 0 332.375 3.297 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000872084859 1296726131 /nfs/dbraw/zinc/72/61/31/1296726131.db2.gz IXCXLDCDUDCMCA-TVQRCGJNSA-N 1 0 332.372 3.392 10 5 EGBERO CC(C)OC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000872115623 1296741762 /nfs/dbraw/zinc/74/17/62/1296741762.db2.gz FPNCBUUGFGSNTF-AWEZNQCLSA-N 1 0 349.431 3.249 10 5 EGBERO O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000872118349 1296743503 /nfs/dbraw/zinc/74/35/03/1296743503.db2.gz YDWRGSQJNQRSGV-ZMSDIMECSA-N 1 0 346.427 3.239 10 5 EGBERO [NH3+][C@H]1CC[C@H](N(Cc2cccc([N+](=O)[O-])c2)c2ccccn2)CC1 ZINC000895112483 1309197100 /nfs/dbraw/zinc/19/71/00/1309197100.db2.gz WRJVMHHODYRWLW-WKILWMFISA-N 1 0 326.400 3.266 10 5 EGBERO Cc1ccc(O[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858011112 1328656628 /nfs/dbraw/zinc/65/66/28/1328656628.db2.gz KDWOIFWYOQRIQV-YXMMZVCTSA-N 1 0 339.395 3.465 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000858473919 1328772014 /nfs/dbraw/zinc/77/20/14/1328772014.db2.gz TUKHYPWPXPXKMN-XOKHGSTOSA-N 1 0 344.411 3.157 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000858505911 1328783048 /nfs/dbraw/zinc/78/30/48/1328783048.db2.gz QPFULHGLYJLYLV-WFASDCNBSA-N 1 0 348.399 3.296 10 5 EGBERO CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000858509822 1328784261 /nfs/dbraw/zinc/78/42/61/1328784261.db2.gz SPBJDXDRNVSYHL-WMLDXEAASA-N 1 0 330.384 3.214 10 5 EGBERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514924 1328785800 /nfs/dbraw/zinc/78/58/00/1328785800.db2.gz XSSVKYCZUMSBGH-QZTJIDSGSA-N 1 0 339.395 3.105 10 5 EGBERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858841673 1328873885 /nfs/dbraw/zinc/87/38/85/1328873885.db2.gz HIYAQPWKPXQEIA-AWEZNQCLSA-N 1 0 341.411 3.208 10 5 EGBERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859197742 1328942748 /nfs/dbraw/zinc/94/27/48/1328942748.db2.gz QIFWYHUKCWWFGV-UHFFFAOYSA-N 1 0 341.411 3.162 10 5 EGBERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1[N+](=O)[O-] ZINC000922697736 1322594444 /nfs/dbraw/zinc/59/44/44/1322594444.db2.gz UOOLYNKJBQZVCO-OCCSQVGLSA-N 1 0 332.322 3.493 10 5 EGBERO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000925154520 1325067440 /nfs/dbraw/zinc/06/74/40/1325067440.db2.gz QMOCZTLLGJUJBM-AEFFLSMTSA-N 1 0 342.443 3.180 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000925235736 1325090041 /nfs/dbraw/zinc/09/00/41/1325090041.db2.gz IHQMVGOQPZLXKF-CKEIUWERSA-N 1 0 348.447 3.028 10 5 EGBERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926913774 1327772956 /nfs/dbraw/zinc/77/29/56/1327772956.db2.gz FRRIZQWYSSFGQH-CHIMOYNISA-N 1 0 347.337 3.328 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926922865 1327778352 /nfs/dbraw/zinc/77/83/52/1327778352.db2.gz MMCWWCYGBNNTGL-MNOVXSKESA-N 1 0 349.328 3.411 10 5 EGBERO CN(C)[C@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000926959269 1327798173 /nfs/dbraw/zinc/79/81/73/1327798173.db2.gz QYMIERROPSORBI-TZMCWYRMSA-N 1 0 331.338 3.054 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC3(CCC3)O2)n1 ZINC000927010510 1327819250 /nfs/dbraw/zinc/81/92/50/1327819250.db2.gz LJVQAMIUVFRQIW-HRCADAONSA-N 1 0 348.447 3.356 10 5 EGBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927163717 1327900833 /nfs/dbraw/zinc/90/08/33/1327900833.db2.gz NRASLIHGAJRMSE-BBRMVZONSA-N 1 0 347.415 3.003 10 5 EGBERO O=C(OCC12CCC[NH+](CCC1)C2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000861357879 1329412607 /nfs/dbraw/zinc/41/26/07/1329412607.db2.gz NWNUDBRALGXGBQ-UHFFFAOYSA-N 1 0 343.383 3.109 10 5 EGBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCSC2)c1 ZINC000865653827 1329725648 /nfs/dbraw/zinc/72/56/48/1329725648.db2.gz BCRRTNKKYHSMPB-JTQLQIEISA-N 1 0 332.372 3.429 10 5 EGBERO C[NH+]1CCC2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)CC1 ZINC000866055600 1330060463 /nfs/dbraw/zinc/06/04/63/1330060463.db2.gz ZDVYALUVRRHZAU-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO COc1cc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])cc1C ZINC000866055456 1330060471 /nfs/dbraw/zinc/06/04/71/1330060471.db2.gz WGDYHWHDOJJAIM-UHFFFAOYSA-N 1 0 333.432 3.224 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000866205967 1330078341 /nfs/dbraw/zinc/07/83/41/1330078341.db2.gz PEBGBMYRYMFNAX-GXFFZTMASA-N 1 0 329.322 3.144 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000866349359 1330100286 /nfs/dbraw/zinc/10/02/86/1330100286.db2.gz ISLBWGQTBIQSIQ-CYBMUJFWSA-N 1 0 336.407 3.197 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1[N+](=O)[O-] ZINC000866447151 1330113596 /nfs/dbraw/zinc/11/35/96/1330113596.db2.gz ZJIGHWRDXXEFQR-ZVEGFHSCSA-N 1 0 332.400 3.068 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866530347 1330122390 /nfs/dbraw/zinc/12/23/90/1330122390.db2.gz KHPWEINKAFIAPC-ZIAGYGMSSA-N 1 0 334.416 3.461 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CCOCC3)CCC2 ZINC000866532385 1330122657 /nfs/dbraw/zinc/12/26/57/1330122657.db2.gz LTWXRIMFQKFQKH-AEFFLSMTSA-N 1 0 346.427 3.148 10 5 EGBERO CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866532829 1330122822 /nfs/dbraw/zinc/12/28/22/1330122822.db2.gz MRTTUTBCJDBBRN-IRXDYDNUSA-N 1 0 334.416 3.221 10 5 EGBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866532703 1330122953 /nfs/dbraw/zinc/12/29/53/1330122953.db2.gz XYHFRQFDBGEWJC-UKRRQHHQSA-N 1 0 336.407 3.461 10 5 EGBERO C[C@]([NH3+])(C(=O)N[C@@H](C1CCC1)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867980945 1330235985 /nfs/dbraw/zinc/23/59/85/1330235985.db2.gz CQQAGIDPSLQKQR-IEBWSBKVSA-N 1 0 345.443 3.244 10 5 EGBERO Cc1cc(F)cc(C(=O)N2c3ccccc3[C@@H]([NH3+])C2(C)C)c1[N+](=O)[O-] ZINC000867989565 1330237300 /nfs/dbraw/zinc/23/73/00/1330237300.db2.gz ASQUDOKWERAHNM-MRXNPFEDSA-N 1 0 343.358 3.481 10 5 EGBERO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](CC2CCCCC2)CC1 ZINC001185088828 1387615860 /nfs/dbraw/zinc/61/58/60/1387615860.db2.gz OLCMOUOZOBPNAW-UHFFFAOYSA-N 1 0 338.839 3.346 10 5 EGBERO CCOC(=O)c1cc([N+](=O)[O-])c(NCC2(C)CC[NH+](C)CC2)cc1C ZINC001185906308 1387825839 /nfs/dbraw/zinc/82/58/39/1387825839.db2.gz FRRLTKAFCHAOEL-UHFFFAOYSA-N 1 0 349.431 3.224 10 5 EGBERO CC(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001191059097 1367413558 /nfs/dbraw/zinc/41/35/58/1367413558.db2.gz SVDWCINZFLBBEX-HNNXBMFYSA-N 1 0 345.443 3.242 10 5 EGBERO COC(=O)C(C)(C)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC001197325832 1368788425 /nfs/dbraw/zinc/78/84/25/1368788425.db2.gz KQNBJSOMXWIWFA-UHFFFAOYSA-N 1 0 340.395 3.391 10 5 EGBERO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001197681477 1368872641 /nfs/dbraw/zinc/87/26/41/1368872641.db2.gz JPAHBFVGVMNISC-QFBILLFUSA-N 1 0 342.370 3.134 10 5 EGBERO COc1cc(N(C)CC[NH+]2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC001186793220 1388009509 /nfs/dbraw/zinc/00/95/09/1388009509.db2.gz YXTOXXBKNNFXJP-UHFFFAOYSA-N 1 0 327.812 3.179 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCCCCNC(=O)CC1 ZINC001207092752 1371291852 /nfs/dbraw/zinc/29/18/52/1371291852.db2.gz HQVGLGKEXLPQRA-DTQAZKPQSA-N 1 0 345.443 3.380 10 5 EGBERO C[NH+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 ZINC001187678188 1388141848 /nfs/dbraw/zinc/14/18/48/1388141848.db2.gz YTJXLPXQTJFMPA-CQSZACIVSA-N 1 0 345.359 3.003 10 5 EGBERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001128974700 1373330109 /nfs/dbraw/zinc/33/01/09/1373330109.db2.gz MVNZJZIJXXSSBR-OAHLLOKOSA-N 1 0 347.459 3.449 10 5 EGBERO CC(C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001283014705 1378706542 /nfs/dbraw/zinc/70/65/42/1378706542.db2.gz WCMKWXJDMFWBJL-WKILWMFISA-N 1 0 333.432 3.015 10 5 EGBERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC001151125362 1379664110 /nfs/dbraw/zinc/66/41/10/1379664110.db2.gz NQKXSWDTKFPOFQ-BFYDXBDKSA-N 1 0 333.432 3.283 10 5 EGBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001294219753 1382428377 /nfs/dbraw/zinc/42/83/77/1382428377.db2.gz NYZVDTDZJGKFJH-FUHWJXTLSA-N 1 0 345.443 3.051 10 5 EGBERO C[N@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)CC(C)(C)C ZINC001294688420 1382483694 /nfs/dbraw/zinc/48/36/94/1382483694.db2.gz XPKYOFJKKFNPBN-UHFFFAOYSA-N 1 0 333.432 3.064 10 5 EGBERO CC1CC[NH+]([C@@H](CNc2ccncc2[N+](=O)[O-])c2ccccc2)CC1 ZINC001162232512 1382662547 /nfs/dbraw/zinc/66/25/47/1382662547.db2.gz ZHLMDQMWZDBHEE-SFHVURJKSA-N 1 0 340.427 3.297 10 5 EGBERO COC(=O)/C=C/c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC001163449481 1383054601 /nfs/dbraw/zinc/05/46/01/1383054601.db2.gz AYAFVYICSOPLIY-UXBLZVDNSA-N 1 0 347.415 3.067 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001164350735 1383179703 /nfs/dbraw/zinc/17/97/03/1383179703.db2.gz KJTYHUAJPOTFTJ-LLVKDONJSA-N 1 0 340.221 3.111 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC001164380713 1383182860 /nfs/dbraw/zinc/18/28/60/1383182860.db2.gz ZOXYEYYCSJCZPE-UFGOTCBOSA-N 1 0 329.322 3.366 10 5 EGBERO C[C@H](c1ccccc1)[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC001168284727 1383863887 /nfs/dbraw/zinc/86/38/87/1383863887.db2.gz LZMXQQUPWKKZTP-OAHLLOKOSA-N 1 0 330.384 3.029 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001175668944 1385368660 /nfs/dbraw/zinc/36/86/60/1385368660.db2.gz IZAGILJDPWLRSK-IBGZPJMESA-N 1 0 336.395 3.365 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001350450642 1391466289 /nfs/dbraw/zinc/46/62/89/1391466289.db2.gz CBGGNKUPFRRBPY-ZIAGYGMSSA-N 1 0 333.432 3.204 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001350450639 1391466320 /nfs/dbraw/zinc/46/63/20/1391466320.db2.gz CBGGNKUPFRRBPY-KGLIPLIRSA-N 1 0 333.432 3.204 10 5 EGBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@@H]2C1 ZINC001350915939 1391557868 /nfs/dbraw/zinc/55/78/68/1391557868.db2.gz OBBMOIPXVXOBDZ-CWFSZBLJSA-N 1 0 345.446 3.458 10 5 EGBERO CCC(=CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)CC ZINC001480133908 1392598253 /nfs/dbraw/zinc/59/82/53/1392598253.db2.gz PRVQDLKVITXYKW-WKILWMFISA-N 1 0 331.416 3.078 10 5 EGBERO C/C=C(/C)C(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001490371155 1394202925 /nfs/dbraw/zinc/20/29/25/1394202925.db2.gz SFUZMSZWWLIKBF-BNNQUZSASA-N 1 0 331.416 3.032 10 5 EGBERO CC1(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001482019754 1394677173 /nfs/dbraw/zinc/67/71/73/1394677173.db2.gz UJOHGRRHDPEISQ-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)cc1 ZINC001497488201 1396766276 /nfs/dbraw/zinc/76/62/76/1396766276.db2.gz WCUGHJNTRWRLMY-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO CCCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001690289251 1404450016 /nfs/dbraw/zinc/45/00/16/1404450016.db2.gz ZJGRIPWEJFALFX-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CC(C)CC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001690361628 1404495284 /nfs/dbraw/zinc/49/52/84/1404495284.db2.gz AZRDMMXFDXVTGS-IYBDPMFKSA-N 1 0 347.459 3.404 10 5 EGBERO O=C(CC1CC1)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001732286311 1428514674 /nfs/dbraw/zinc/51/46/74/1428514674.db2.gz SYYBHNYZXYRUJZ-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCC1(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001699327932 1412641373 /nfs/dbraw/zinc/64/13/73/1412641373.db2.gz KLCWJWMBHNAWKD-FPLPWBNLSA-N 1 0 345.443 3.327 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1(C)CC1 ZINC001700443514 1414016833 /nfs/dbraw/zinc/01/68/33/1414016833.db2.gz KHZKKSXFVDOMQK-UHFFFAOYSA-N 1 0 347.459 3.359 10 5 EGBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/C(C)(C)C ZINC001733091197 1429239325 /nfs/dbraw/zinc/23/93/25/1429239325.db2.gz CPCLIXGODRTIFH-ZHACJKMWSA-N 1 0 333.432 3.135 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CCC2)C1 ZINC001733120765 1429250629 /nfs/dbraw/zinc/25/06/29/1429250629.db2.gz MQXKFAVKWYVEPW-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CCC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001714307392 1419087384 /nfs/dbraw/zinc/08/73/84/1419087384.db2.gz GRIJDGUVYCCYAM-WKILWMFISA-N 1 0 345.443 3.302 10 5 EGBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CC2(CCC2)C1 ZINC001716560982 1420760501 /nfs/dbraw/zinc/76/05/01/1420760501.db2.gz OWKVHRMBAYBHKO-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C=C/C(C)=C/CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001717156481 1421146094 /nfs/dbraw/zinc/14/60/94/1421146094.db2.gz ZNRXERLJPGYMNS-OQLLNIDSSA-N 1 0 343.427 3.246 10 5 EGBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C ZINC001725146161 1425628110 /nfs/dbraw/zinc/62/81/10/1425628110.db2.gz IVJKJAOOBBWTHM-UHFFFAOYSA-N 1 0 335.448 3.215 10 5 EGBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001731449538 1427426150 /nfs/dbraw/zinc/42/61/50/1427426150.db2.gz CGVKMQNTRKWCCJ-WKILWMFISA-N 1 0 331.416 3.078 10 5 EGBERO C[NH+](C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000052816700 214146820 /nfs/dbraw/zinc/14/68/20/214146820.db2.gz XPFNUXJQPHWXAK-INIZCTEOSA-N 1 0 328.372 3.019 10 5 EGBERO CC[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000187282008 529485251 /nfs/dbraw/zinc/48/52/51/529485251.db2.gz IGAZPEFZEHGGCD-INIZCTEOSA-N 1 0 348.447 3.172 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000183327586 235011014 /nfs/dbraw/zinc/01/10/14/235011014.db2.gz UHSORJORXHSHBF-UHFFFAOYSA-N 1 0 346.456 3.068 10 5 EGBERO C[N+]1(C)CCC[C@@H]1COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000001999364 291447200 /nfs/dbraw/zinc/44/72/00/291447200.db2.gz KASKRXOORXMTTP-CTNGQTDRSA-N 1 0 346.491 3.237 10 5 in-man EGBERO Cc1sc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000045141794 213709049 /nfs/dbraw/zinc/70/90/49/213709049.db2.gz XKXFWUPUBSEPHC-UHFFFAOYSA-N 1 0 325.434 3.004 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+]3CCC2CC3)o1 ZINC000377693225 169062640 /nfs/dbraw/zinc/06/26/40/169062640.db2.gz JXKXNAONDWNIDG-UHFFFAOYSA-N 1 0 327.384 3.135 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000338026911 141076831 /nfs/dbraw/zinc/07/68/31/141076831.db2.gz HRDCXFMNSZRBPJ-UHFFFAOYSA-N 1 0 341.411 3.155 10 5 EGBERO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178656458 144074458 /nfs/dbraw/zinc/07/44/58/144074458.db2.gz PPFXARYTNVKMTL-KDOFPFPSSA-N 1 0 339.395 3.441 10 5 EGBERO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000344767028 144221854 /nfs/dbraw/zinc/22/18/54/144221854.db2.gz YHWOPVGWJSVTIF-YVEFUNNKSA-N 1 0 346.383 3.114 10 5 EGBERO Cc1c([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000155904393 152648824 /nfs/dbraw/zinc/64/88/24/152648824.db2.gz LUIRGTDIUWRUPH-AWEZNQCLSA-N 1 0 341.415 3.013 10 5 EGBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000114495382 162236865 /nfs/dbraw/zinc/23/68/65/162236865.db2.gz SGZMWECNXXKSQO-GOSISDBHSA-N 1 0 329.400 3.016 10 5 EGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000249151659 163059900 /nfs/dbraw/zinc/05/99/00/163059900.db2.gz XRMXZJSJLNVWQN-OLZOCXBDSA-N 1 0 349.456 3.016 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@]2(O)CCSC2)c2ccccc2)c1 ZINC000305857273 163082756 /nfs/dbraw/zinc/08/27/56/163082756.db2.gz WXGDJNGDFQTRFV-ROUUACIJSA-N 1 0 344.436 3.142 10 5 EGBERO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000344219131 164129530 /nfs/dbraw/zinc/12/95/30/164129530.db2.gz MXOFBFQHGSVCCJ-UHFFFAOYSA-N 1 0 340.408 3.446 10 5 EGBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359539663 167184793 /nfs/dbraw/zinc/18/47/93/167184793.db2.gz BPBXPWIHCDAHEH-GLJUWKHASA-N 1 0 331.416 3.434 10 5 EGBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124040093 222368803 /nfs/dbraw/zinc/36/88/03/222368803.db2.gz WWWZFZROVNPJKI-HOCLYGCPSA-N 1 0 335.448 3.297 10 5 EGBERO CC(=O)NC1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278633746 275261050 /nfs/dbraw/zinc/26/10/50/275261050.db2.gz HCKROSRGEUSKDW-JTTJXQCZSA-N 1 0 331.416 3.009 10 5 EGBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC4)C3)n2)c1 ZINC000288563785 276228444 /nfs/dbraw/zinc/22/84/44/276228444.db2.gz AGXFBPRSDITLQT-AWEZNQCLSA-N 1 0 328.372 3.267 10 5 EGBERO COc1cccc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1[N+](=O)[O-] ZINC000185312568 278016402 /nfs/dbraw/zinc/01/64/02/278016402.db2.gz KDQVOBPHWBIPGT-AWEZNQCLSA-N 1 0 342.399 3.245 10 5 EGBERO Cc1sc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068133155 294070491 /nfs/dbraw/zinc/07/04/91/294070491.db2.gz KJPIXNXYYGFLRS-CYBMUJFWSA-N 1 0 337.445 3.055 10 5 EGBERO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293932050 308175161 /nfs/dbraw/zinc/17/51/61/308175161.db2.gz XXWCAFVISQDPCJ-AWEZNQCLSA-N 1 0 340.427 3.497 10 5 EGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](CO)C3)o2)cc1 ZINC000414591574 309090964 /nfs/dbraw/zinc/09/09/64/309090964.db2.gz YVMLCCGMTHWXKM-DZGCQCFKSA-N 1 0 330.384 3.496 10 5 EGBERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000296491704 308433300 /nfs/dbraw/zinc/43/33/00/308433300.db2.gz ORVBACAYWPKVDT-UJDVCPFMSA-N 1 0 342.386 3.300 10 5 EGBERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000298668066 308631917 /nfs/dbraw/zinc/63/19/17/308631917.db2.gz MWTHHQLCNBSJNA-UHFFFAOYSA-N 1 0 345.424 3.182 10 5 EGBERO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CC4CCC3CC4)n2)cc1 ZINC000433080052 309678108 /nfs/dbraw/zinc/67/81/08/309678108.db2.gz AUBKRUVMZJMYTQ-QOZQQMKHSA-N 1 0 328.372 3.313 10 5 EGBERO CCOC(=O)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000435272744 309728327 /nfs/dbraw/zinc/72/83/27/309728327.db2.gz SSVPUGQNPMSLNW-VQHVLOKHSA-N 1 0 332.400 3.464 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC1CCOCC1 ZINC000449355457 310056230 /nfs/dbraw/zinc/05/62/30/310056230.db2.gz ZSTZTMWJIUMHCM-AWEZNQCLSA-N 1 0 349.431 3.108 10 5 EGBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449422000 310060585 /nfs/dbraw/zinc/06/05/85/310060585.db2.gz MHSGEYAKJBEUSZ-WMLDXEAASA-N 1 0 330.384 3.448 10 5 EGBERO COc1cc(C[NH+]2CCC3(CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000451158336 310163291 /nfs/dbraw/zinc/16/32/91/310163291.db2.gz ZXNWJVCDHSABOW-UHFFFAOYSA-N 1 0 334.416 3.121 10 5 EGBERO COc1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)n1 ZINC000451543449 310184529 /nfs/dbraw/zinc/18/45/29/310184529.db2.gz BTVMONQSAZKNEL-HNNXBMFYSA-N 1 0 342.399 3.081 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC2(CO)CC2)c2ccccc2)c1 ZINC000453334289 310271451 /nfs/dbraw/zinc/27/14/51/310271451.db2.gz HLSLJBWQQPNYSG-SFHVURJKSA-N 1 0 326.396 3.436 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc2)c1 ZINC000453392029 310274491 /nfs/dbraw/zinc/27/44/91/310274491.db2.gz UDFRAHYKQRGOPI-UHOSZYNNSA-N 1 0 326.396 3.435 10 5 EGBERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153083 310390935 /nfs/dbraw/zinc/39/09/35/310390935.db2.gz WMZOBTHKSIHGHV-WMZOPIPTSA-N 1 0 345.443 3.175 10 5 EGBERO Cc1c([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)cccc1[N+](=O)[O-] ZINC000462811491 310606116 /nfs/dbraw/zinc/60/61/16/310606116.db2.gz WYXSMNURHJNPLL-CYBMUJFWSA-N 1 0 328.416 3.366 10 5 EGBERO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000484643851 310967669 /nfs/dbraw/zinc/96/76/69/310967669.db2.gz DTMNLFVEMGAUHD-QZTJIDSGSA-N 1 0 344.415 3.080 10 5 EGBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000488061400 311049600 /nfs/dbraw/zinc/04/96/00/311049600.db2.gz ZELYGFJOGUIAIX-CQSZACIVSA-N 1 0 326.400 3.208 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000511626716 312164792 /nfs/dbraw/zinc/16/47/92/312164792.db2.gz IRDXMDQVBLZGFR-KBPBESRZSA-N 1 0 347.459 3.390 10 5 EGBERO C[C@H]1C[C@@H](CCNc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641460 312165075 /nfs/dbraw/zinc/16/50/75/312165075.db2.gz BQZITDJMGZMJMP-DOTOQJQBSA-N 1 0 340.427 3.124 10 5 EGBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513373305 312208141 /nfs/dbraw/zinc/20/81/41/312208141.db2.gz YFTZEULPEJWSHZ-UHFFFAOYSA-N 1 0 329.375 3.446 10 5 EGBERO C[NH+](C)Cc1ccccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000515493921 312285666 /nfs/dbraw/zinc/28/56/66/312285666.db2.gz UEECYWXWMYMFCS-UHFFFAOYSA-N 1 0 349.337 3.116 10 5 EGBERO COc1ccsc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561752409 315780265 /nfs/dbraw/zinc/78/02/65/315780265.db2.gz HUUMGWZAHRQCBX-UHFFFAOYSA-N 1 0 331.397 3.479 10 5 EGBERO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000234098537 456148035 /nfs/dbraw/zinc/14/80/35/456148035.db2.gz GTPPZMJLZMFQPW-JQWIXIFHSA-N 1 0 342.237 3.229 10 5 EGBERO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000182278212 323538527 /nfs/dbraw/zinc/53/85/27/323538527.db2.gz URBBJZMIGKZLPB-GFCCVEGCSA-N 1 0 330.340 3.053 10 5 EGBERO CC(C)[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000578360992 324958429 /nfs/dbraw/zinc/95/84/29/324958429.db2.gz OMTDPEPDBKACAS-RDTXWAMCSA-N 1 0 331.416 3.412 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000579278459 325087331 /nfs/dbraw/zinc/08/73/31/325087331.db2.gz UWHDFLYZEREQFQ-WMHVBEDNSA-N 1 0 328.343 3.340 10 5 EGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181563888 455355989 /nfs/dbraw/zinc/35/59/89/455355989.db2.gz GVMSHRLILVPAEN-CQSZACIVSA-N 1 0 348.790 3.323 10 5 EGBERO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184258885 455366636 /nfs/dbraw/zinc/36/66/36/455366636.db2.gz LXMSAYHHHGYVAR-LLVKDONJSA-N 1 0 334.401 3.039 10 5 EGBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000041888278 453982837 /nfs/dbraw/zinc/98/28/37/453982837.db2.gz UDYSQVDRIMZEEB-UHFFFAOYSA-N 1 0 331.347 3.195 10 5 EGBERO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000058130477 454164124 /nfs/dbraw/zinc/16/41/24/454164124.db2.gz IDCHFBIMNVRVMF-LRDDRELGSA-N 1 0 339.823 3.161 10 5 EGBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000078689392 454300765 /nfs/dbraw/zinc/30/07/65/454300765.db2.gz ZFJPHCHBJMKRIF-OAHLLOKOSA-N 1 0 326.400 3.091 10 5 EGBERO CC[C@H](NC(=O)NC[C@@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090522545 454316275 /nfs/dbraw/zinc/31/62/75/454316275.db2.gz PDCGBGJPSIPVQV-CJNGLKHVSA-N 1 0 336.436 3.075 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246204388 455447868 /nfs/dbraw/zinc/44/78/68/455447868.db2.gz MAIWKBHHARITLU-DZGCQCFKSA-N 1 0 333.432 3.075 10 5 EGBERO CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106866965 454724821 /nfs/dbraw/zinc/72/48/21/454724821.db2.gz TXAQVNROGQHPMI-HNNXBMFYSA-N 1 0 349.431 3.123 10 5 EGBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000162129842 454753067 /nfs/dbraw/zinc/75/30/67/454753067.db2.gz XEAGYVXRKCVNCF-NOZJJQNGSA-N 1 0 329.194 3.014 10 5 EGBERO Cc1csc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137015817 454764775 /nfs/dbraw/zinc/76/47/75/454764775.db2.gz LPEDLKYNOYPKBS-INIZCTEOSA-N 1 0 347.440 3.273 10 5 EGBERO CC[C@H]([NH3+])CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000111304655 454861104 /nfs/dbraw/zinc/86/11/04/454861104.db2.gz NBTNCCIEIWLYMP-VIFPVBQESA-N 1 0 339.193 3.055 10 5 EGBERO CNc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168942758 454928807 /nfs/dbraw/zinc/92/88/07/454928807.db2.gz BTBKNRXFNYZHKT-XKQJLSEDSA-N 1 0 331.416 3.074 10 5 EGBERO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245561862 455330752 /nfs/dbraw/zinc/33/07/52/455330752.db2.gz CIUHOVIOGRUQBH-CRAIPNDOSA-N 1 0 344.415 3.143 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246138797 455434642 /nfs/dbraw/zinc/43/46/42/455434642.db2.gz NKFCCPNZEXKUDU-GJZGRUSLSA-N 1 0 326.400 3.485 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246468308 455495164 /nfs/dbraw/zinc/49/51/64/455495164.db2.gz GQEZBEDMVCYSBJ-WMLDXEAASA-N 1 0 335.448 3.156 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000182684453 455568038 /nfs/dbraw/zinc/56/80/38/455568038.db2.gz ITZRNNQMBVHQPB-CVEARBPZSA-N 1 0 347.459 3.149 10 5 EGBERO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)OCCCO1 ZINC000192250358 455581657 /nfs/dbraw/zinc/58/16/57/455581657.db2.gz KNHMCYCTZKTXPP-UHFFFAOYSA-N 1 0 332.356 3.098 10 5 EGBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271363072 455610963 /nfs/dbraw/zinc/61/09/63/455610963.db2.gz AFCAGCRIMJRZKB-CYBMUJFWSA-N 1 0 326.780 3.024 10 5 EGBERO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000270273141 455917129 /nfs/dbraw/zinc/91/71/29/455917129.db2.gz KVPBTGGMQNUQKQ-MRXNPFEDSA-N 1 0 338.766 3.385 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000301439140 456116277 /nfs/dbraw/zinc/11/62/77/456116277.db2.gz LRRKAOKHHRMRRJ-LBPRGKRZSA-N 1 0 325.384 3.419 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301457413 456120700 /nfs/dbraw/zinc/12/07/00/456120700.db2.gz XIWAYRWGVNDNLI-VXGBXAGGSA-N 1 0 325.384 3.275 10 5 EGBERO [NH3+]CCN(Cc1ncc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000289973041 456201633 /nfs/dbraw/zinc/20/16/33/456201633.db2.gz ZHFKWAPSIWBEJW-UHFFFAOYSA-N 1 0 346.334 3.035 10 5 EGBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000301936003 456254218 /nfs/dbraw/zinc/25/42/18/456254218.db2.gz UDTPXEDMSLYCCF-HNNXBMFYSA-N 1 0 325.384 3.275 10 5 EGBERO C[C@](CO)([NH2+]Cc1cccc2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601149654 460731995 /nfs/dbraw/zinc/73/19/95/460731995.db2.gz PHQPRHFCONOYJV-LJQANCHMSA-N 1 0 326.396 3.081 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000298289844 456415638 /nfs/dbraw/zinc/41/56/38/456415638.db2.gz OYSUXCPMTIPWKL-CABCVRRESA-N 1 0 326.343 3.471 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291243402 456576573 /nfs/dbraw/zinc/57/65/73/456576573.db2.gz LICIVVVBTBTPAU-LJQANCHMSA-N 1 0 326.396 3.039 10 5 EGBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000353281517 456608116 /nfs/dbraw/zinc/60/81/16/456608116.db2.gz KJHVJBNEVQCDNJ-INIZCTEOSA-N 1 0 326.400 3.091 10 5 EGBERO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(C)c1O ZINC000348388143 456661757 /nfs/dbraw/zinc/66/17/57/456661757.db2.gz NELWEKXXNKMJJV-UHFFFAOYSA-N 1 0 326.356 3.083 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000299691227 456766247 /nfs/dbraw/zinc/76/62/47/456766247.db2.gz ZRFMMWGKVZYSNT-UHFFFAOYSA-N 1 0 333.432 3.145 10 5 EGBERO CC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000339076729 456928892 /nfs/dbraw/zinc/92/88/92/456928892.db2.gz CCQHFSUUFFKGCY-ROUUACIJSA-N 1 0 332.375 3.378 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349331544 456945750 /nfs/dbraw/zinc/94/57/50/456945750.db2.gz LNQNGSOCRXKPCF-NJZAAPMLSA-N 1 0 346.349 3.209 10 5 EGBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000363171448 457245454 /nfs/dbraw/zinc/24/54/54/457245454.db2.gz YFBAYTBVLVYMTJ-OAHLLOKOSA-N 1 0 326.400 3.091 10 5 EGBERO COc1cc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000352524242 457438687 /nfs/dbraw/zinc/43/86/87/457438687.db2.gz ATAIKKGCIHHQHS-UXLLHSPISA-N 1 0 347.459 3.441 10 5 EGBERO CC[NH+](CC)CC1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360954520 457462530 /nfs/dbraw/zinc/46/25/30/457462530.db2.gz QXPXOGNXIKLYKX-UHFFFAOYSA-N 1 0 333.432 3.356 10 5 EGBERO O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433062870 457657362 /nfs/dbraw/zinc/65/73/62/457657362.db2.gz VUTLIADLHILNRS-QKFMDRJYSA-N 1 0 337.807 3.355 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412049845 458068357 /nfs/dbraw/zinc/06/83/57/458068357.db2.gz XARGCIHSEHEBAH-VXGBXAGGSA-N 1 0 335.404 3.051 10 5 EGBERO COc1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000358738880 458181986 /nfs/dbraw/zinc/18/19/86/458181986.db2.gz SULBDHKGLARHFA-UHFFFAOYSA-N 1 0 337.379 3.484 10 5 EGBERO CC(C)(C)CC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447691526 458330284 /nfs/dbraw/zinc/33/02/84/458330284.db2.gz SIADBMYVSUBXPV-UHFFFAOYSA-N 1 0 331.420 3.029 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2)c1 ZINC000423480180 458439831 /nfs/dbraw/zinc/43/98/31/458439831.db2.gz NCPVLRVIFJHDPW-SJORKVTESA-N 1 0 347.365 3.271 10 5 EGBERO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000438475743 458582191 /nfs/dbraw/zinc/58/21/91/458582191.db2.gz DCPWMNQXIURNTE-NSHDSACASA-N 1 0 325.796 3.165 10 5 EGBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462867366 458663172 /nfs/dbraw/zinc/66/31/72/458663172.db2.gz IAUOLFSZQWTJTH-GXDHUFHOSA-N 1 0 340.427 3.400 10 5 EGBERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566923103 459022114 /nfs/dbraw/zinc/02/21/14/459022114.db2.gz CJWSHDQUHRSZNT-HOCLYGCPSA-N 1 0 325.368 3.350 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000476946768 459023193 /nfs/dbraw/zinc/02/31/93/459023193.db2.gz XPGCRDAVNKQYLY-UHFFFAOYSA-N 1 0 345.443 3.311 10 5 EGBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511920 459069224 /nfs/dbraw/zinc/06/92/24/459069224.db2.gz SIRRWZJILBJFHX-LUKYLMHMSA-N 1 0 349.475 3.003 10 5 EGBERO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000594518199 459076282 /nfs/dbraw/zinc/07/62/82/459076282.db2.gz JDVAZHOSYSWBIO-TUVASFSCSA-N 1 0 336.436 3.211 10 5 EGBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)o1 ZINC000594984979 459205253 /nfs/dbraw/zinc/20/52/53/459205253.db2.gz XLAOYDHYBCELOS-UHFFFAOYSA-N 1 0 342.395 3.496 10 5 EGBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000595000919 459211223 /nfs/dbraw/zinc/21/12/23/459211223.db2.gz QIZIALFBKMYHRD-HWKANZROSA-N 1 0 326.343 3.138 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000595006336 459213144 /nfs/dbraw/zinc/21/31/44/459213144.db2.gz IYYBCSKFEXCDCQ-JSGCOSHPSA-N 1 0 344.367 3.094 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000595055131 459229615 /nfs/dbraw/zinc/22/96/15/459229615.db2.gz TUEIZIGQJCBICW-HLIUYOAVSA-N 1 0 333.432 3.271 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000595062274 459232833 /nfs/dbraw/zinc/23/28/33/459232833.db2.gz VGESQQOIBITQSC-AWEZNQCLSA-N 1 0 341.411 3.390 10 5 EGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cncc(C)n1 ZINC000595089285 459241739 /nfs/dbraw/zinc/24/17/39/459241739.db2.gz GTZSQZYCOCODAW-AWEZNQCLSA-N 1 0 346.456 3.396 10 5 EGBERO C[N@@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000560546066 459370674 /nfs/dbraw/zinc/37/06/74/459370674.db2.gz PRZTYWNBYMLHDQ-GBESFXJTSA-N 1 0 331.460 3.380 10 5 EGBERO COc1cc(CN2CCO[C@H](c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000540907980 459401800 /nfs/dbraw/zinc/40/18/00/459401800.db2.gz UESJFCULWHACOX-IBGZPJMESA-N 1 0 342.395 3.485 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000595785765 459439892 /nfs/dbraw/zinc/43/98/92/459439892.db2.gz YSSWQOZIXYEXAK-STQMWFEESA-N 1 0 330.306 3.007 10 5 EGBERO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000595785761 459440263 /nfs/dbraw/zinc/44/02/63/459440263.db2.gz YSSWQOZIXYEXAK-OLZOCXBDSA-N 1 0 330.306 3.007 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908190 459482729 /nfs/dbraw/zinc/48/27/29/459482729.db2.gz ZNANHVGQGPTPSO-RDJZCZTQSA-N 1 0 335.448 3.007 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000541769449 459490061 /nfs/dbraw/zinc/49/00/61/459490061.db2.gz XXTYSTYKCDIGAO-LJQANCHMSA-N 1 0 325.412 3.392 10 5 EGBERO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596075997 459509564 /nfs/dbraw/zinc/50/95/64/459509564.db2.gz MQPHHZGMFOFCJC-SNVBAGLBSA-N 1 0 343.811 3.177 10 5 EGBERO COc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000562080492 459510476 /nfs/dbraw/zinc/51/04/76/459510476.db2.gz CWFSORSSCBGWNA-HNNXBMFYSA-N 1 0 328.368 3.005 10 5 EGBERO COc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000569848215 459520742 /nfs/dbraw/zinc/52/07/42/459520742.db2.gz PHPGYFSJBROOSG-UHFFFAOYSA-N 1 0 325.368 3.417 10 5 EGBERO COc1cc(NCC23CCC[NH+]2CCC3)c(Cl)cc1[N+](=O)[O-] ZINC000596217461 459563991 /nfs/dbraw/zinc/56/39/91/459563991.db2.gz QYQWJDIGMPIZHX-UHFFFAOYSA-N 1 0 325.796 3.297 10 5 EGBERO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596231519 459568020 /nfs/dbraw/zinc/56/80/20/459568020.db2.gz KGXWVFDCCYODFH-VXGBXAGGSA-N 1 0 339.823 3.320 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)CC(F)F ZINC000592392427 459588642 /nfs/dbraw/zinc/58/86/42/459588642.db2.gz UAUHXLOSLFCMFH-WDEREUQCSA-N 1 0 329.347 3.193 10 5 EGBERO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000592399651 459593492 /nfs/dbraw/zinc/59/34/92/459593492.db2.gz PVDOHOIQLULPAC-LJIGWXMPSA-N 1 0 326.400 3.196 10 5 EGBERO Cc1cccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596423224 459632600 /nfs/dbraw/zinc/63/26/00/459632600.db2.gz KGHLGTDVZQOSKE-QGZVFWFLSA-N 1 0 341.411 3.082 10 5 EGBERO Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422162 459632781 /nfs/dbraw/zinc/63/27/81/459632781.db2.gz BPPPZIVLZTUDLV-GOSISDBHSA-N 1 0 341.411 3.082 10 5 EGBERO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@H+](CC)C1 ZINC000596836791 459774695 /nfs/dbraw/zinc/77/46/95/459774695.db2.gz NPQYPYQCTMBDPR-AWEZNQCLSA-N 1 0 334.420 3.160 10 5 EGBERO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000545275045 459819308 /nfs/dbraw/zinc/81/93/08/459819308.db2.gz XQJKSIPLXQFBNZ-KRWDZBQOSA-N 1 0 346.358 3.398 10 5 EGBERO C[NH+]1CCC([C@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000593465921 459897500 /nfs/dbraw/zinc/89/75/00/459897500.db2.gz RUXQJWZMNXDJRP-HNNXBMFYSA-N 1 0 340.427 3.311 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)nccc2NCC1CC[NH+](C2CC2)CC1 ZINC000593467959 459898434 /nfs/dbraw/zinc/89/84/34/459898434.db2.gz CXRVAYGPKRAQJV-UHFFFAOYSA-N 1 0 326.400 3.429 10 5 EGBERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593694656 459954782 /nfs/dbraw/zinc/95/47/82/459954782.db2.gz PJMMWNMAXGXLJZ-HNNXBMFYSA-N 1 0 347.802 3.114 10 5 EGBERO Cc1c([C@@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000593715152 459960889 /nfs/dbraw/zinc/96/08/89/459960889.db2.gz HVAXVOCYMHQASV-QRWLVFNGSA-N 1 0 340.423 3.430 10 5 EGBERO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cccc1[N+](=O)[O-] ZINC000593725619 459965799 /nfs/dbraw/zinc/96/57/99/459965799.db2.gz SSOIFGKIYNTDKX-CJNGLKHVSA-N 1 0 341.411 3.330 10 5 EGBERO O=[N+]([O-])c1c(Nc2cnn(-c3cc[nH+]cc3)c2)ccc2ncccc21 ZINC000609560971 459982544 /nfs/dbraw/zinc/98/25/44/459982544.db2.gz JHKITBJKPSCNKX-UHFFFAOYSA-N 1 0 332.323 3.467 10 5 EGBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000588933903 460007762 /nfs/dbraw/zinc/00/77/62/460007762.db2.gz PINTYECLZDUJCO-CYBMUJFWSA-N 1 0 336.750 3.481 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594040440 460069454 /nfs/dbraw/zinc/06/94/54/460069454.db2.gz FZTYFXRNIYBXJF-DOTOQJQBSA-N 1 0 349.431 3.169 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599007250 460126168 /nfs/dbraw/zinc/12/61/68/460126168.db2.gz NDCHWROJQHODSW-PTNGSMBKSA-N 1 0 345.443 3.236 10 5 EGBERO C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc([N+](=O)[O-])c1 ZINC000599073594 460152281 /nfs/dbraw/zinc/15/22/81/460152281.db2.gz DVSKSTALKDYUNR-SJCJKPOMSA-N 1 0 325.368 3.072 10 5 EGBERO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000599080506 460153423 /nfs/dbraw/zinc/15/34/23/460153423.db2.gz GZLCKYAMNMUWBZ-LORHWOILSA-N 1 0 340.427 3.444 10 5 EGBERO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000599079432 460154111 /nfs/dbraw/zinc/15/41/11/460154111.db2.gz FUJPZBZRYXTMOL-AWEZNQCLSA-N 1 0 340.427 3.454 10 5 EGBERO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)c1 ZINC000618809491 460185652 /nfs/dbraw/zinc/18/56/52/460185652.db2.gz YEFDFWBJHYQWEY-UHFFFAOYSA-N 1 0 348.406 3.465 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4cnccc43)CC2)n1 ZINC000618822602 460188935 /nfs/dbraw/zinc/18/89/35/460188935.db2.gz GUYAHYPMYOTGBB-UHFFFAOYSA-N 1 0 337.383 3.177 10 5 EGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000599574179 460276949 /nfs/dbraw/zinc/27/69/49/460276949.db2.gz PSAJGIWFWIAGNV-SFHVURJKSA-N 1 0 327.384 3.500 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599697035 460315033 /nfs/dbraw/zinc/31/50/33/460315033.db2.gz SXJBANQJQCIILH-HNNXBMFYSA-N 1 0 332.404 3.042 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3C3CC3)CC2)cn1 ZINC000611254478 460318258 /nfs/dbraw/zinc/31/82/58/460318258.db2.gz FNJYVLFZMKGMHF-UHFFFAOYSA-N 1 0 338.411 3.189 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228346 460450821 /nfs/dbraw/zinc/45/08/21/460450821.db2.gz KEYUOFZQAGKWGV-INIZCTEOSA-N 1 0 331.416 3.040 10 5 EGBERO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2cccc(F)c2n1 ZINC000619846249 460454706 /nfs/dbraw/zinc/45/47/06/460454706.db2.gz ZEQJATBRSBVNMJ-UHFFFAOYSA-N 1 0 328.347 3.056 10 5 EGBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059639 460461473 /nfs/dbraw/zinc/46/14/73/460461473.db2.gz BRDVYTIBVKHBSB-DZGCQCFKSA-N 1 0 326.400 3.206 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000270651311 518189866 /nfs/dbraw/zinc/18/98/66/518189866.db2.gz MOJGTDRLNBBJPR-WMZOPIPTSA-N 1 0 339.395 3.078 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156418 1296245044 /nfs/dbraw/zinc/24/50/44/1296245044.db2.gz ZLJQYYCQDUTXTA-MRXNPFEDSA-N 1 0 347.459 3.106 10 5 EGBERO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872080686 1296722910 /nfs/dbraw/zinc/72/29/10/1296722910.db2.gz YCILHOIXDUSVFH-OCCSQVGLSA-N 1 0 348.374 3.169 10 5 EGBERO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872088163 1296727573 /nfs/dbraw/zinc/72/75/73/1296727573.db2.gz OVRTXNINFXQDLS-PWSUYJOCSA-N 1 0 336.413 3.229 10 5 EGBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC1 ZINC000872109815 1296736313 /nfs/dbraw/zinc/73/63/13/1296736313.db2.gz SDYIBTVFOWUABU-DWRORGKVSA-N 1 0 330.428 3.463 10 5 EGBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000872217568 1296822300 /nfs/dbraw/zinc/82/23/00/1296822300.db2.gz ZRRSMMGSJDAGDT-LBPRGKRZSA-N 1 0 346.330 3.498 10 5 EGBERO O=[N+]([O-])c1c(Cl)nccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710565924 1298256688 /nfs/dbraw/zinc/25/66/88/1298256688.db2.gz MLRHXSVBAFBUSD-CYBMUJFWSA-N 1 0 333.775 3.297 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899558816 1317089912 /nfs/dbraw/zinc/08/99/12/1317089912.db2.gz FKCNGTILSONKMY-OAHLLOKOSA-N 1 0 345.443 3.175 10 5 EGBERO C[C@H]([NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000930236501 1328818162 /nfs/dbraw/zinc/81/81/62/1328818162.db2.gz XIFJZKORMUPXDC-GMBSWORKSA-N 1 0 344.411 3.120 10 5 EGBERO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000858750309 1328851190 /nfs/dbraw/zinc/85/11/90/1328851190.db2.gz SCMUUVAWPCVIOD-UHFFFAOYSA-N 1 0 341.411 3.210 10 5 EGBERO Cn1nc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000859323831 1328968712 /nfs/dbraw/zinc/96/87/12/1328968712.db2.gz DOVMLPLVKQJMIU-CYBMUJFWSA-N 1 0 334.807 3.361 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000859561989 1329018114 /nfs/dbraw/zinc/01/81/14/1329018114.db2.gz OZZHIXXZTPYZBT-DGCLKSJQSA-N 1 0 339.823 3.051 10 5 EGBERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000922311926 1322497759 /nfs/dbraw/zinc/49/77/59/1322497759.db2.gz OFPHCWAHSKEBMY-LLVKDONJSA-N 1 0 336.413 3.420 10 5 EGBERO COC(OC)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000922311927 1322497854 /nfs/dbraw/zinc/49/78/54/1322497854.db2.gz OFPHCWAHSKEBMY-NSHDSACASA-N 1 0 336.413 3.420 10 5 EGBERO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371742 1329105514 /nfs/dbraw/zinc/10/55/14/1329105514.db2.gz FKDUIHQMGMVZMT-ZDUSSCGKSA-N 1 0 337.383 3.246 10 5 EGBERO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000925640487 1325243630 /nfs/dbraw/zinc/24/36/30/1325243630.db2.gz IDBDNQXJJRCIFA-VQIMIIECSA-N 1 0 342.443 3.180 10 5 EGBERO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925763207 1325290269 /nfs/dbraw/zinc/29/02/69/1325290269.db2.gz QYZSLBBNQJNGRR-OLZOCXBDSA-N 1 0 342.237 3.107 10 5 EGBERO CCC[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000925791540 1325302232 /nfs/dbraw/zinc/30/22/32/1325302232.db2.gz ATYXVNTYXIQGBL-WMZOPIPTSA-N 1 0 347.459 3.184 10 5 EGBERO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113184 1325433615 /nfs/dbraw/zinc/43/36/15/1325433615.db2.gz MYXUGIIHWPESGI-GJZGRUSLSA-N 1 0 326.824 3.441 10 5 EGBERO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860677459 1329343408 /nfs/dbraw/zinc/34/34/08/1329343408.db2.gz QZCJCWJDYNNGMS-UHFFFAOYSA-N 1 0 341.411 3.210 10 5 EGBERO Cc1c([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926964798 1327801727 /nfs/dbraw/zinc/80/17/27/1327801727.db2.gz UCUQEBBAZSNASQ-FZMZJTMJSA-N 1 0 333.354 3.436 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927030356 1327825411 /nfs/dbraw/zinc/82/54/11/1327825411.db2.gz HYZDDEJMHQPBEH-MBNYWOFBSA-N 1 0 337.445 3.186 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCC3(CCC3)O2)n1 ZINC000927130994 1327883818 /nfs/dbraw/zinc/88/38/18/1327883818.db2.gz TZJOTPCWKAEUJR-BZUAXINKSA-N 1 0 348.447 3.356 10 5 EGBERO CC1([NH+]2CCC2)CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000927283579 1327954069 /nfs/dbraw/zinc/95/40/69/1327954069.db2.gz APEDMGPDTZGXPK-UHFFFAOYSA-N 1 0 332.404 3.123 10 5 EGBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000928013621 1328173328 /nfs/dbraw/zinc/17/33/28/1328173328.db2.gz UAAWUOJTRFHVCZ-UHFFFAOYSA-N 1 0 337.445 3.183 10 5 EGBERO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000862018908 1329455482 /nfs/dbraw/zinc/45/54/82/1329455482.db2.gz GCQUZDNPBRDJOF-UHFFFAOYSA-N 1 0 341.411 3.351 10 5 EGBERO CCCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CC[N@H+](C)C1 ZINC000862095893 1329458656 /nfs/dbraw/zinc/45/86/56/1329458656.db2.gz GDTYNSQDCIPPIW-HNNXBMFYSA-N 1 0 341.411 3.304 10 5 EGBERO C/C=C\C[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340565 1329548340 /nfs/dbraw/zinc/54/83/40/1329548340.db2.gz LMRNVCVYBYTREF-VQTKUKTRSA-N 1 0 329.404 3.284 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000863586294 1329564653 /nfs/dbraw/zinc/56/46/53/1329564653.db2.gz XVSCCEPBORLMDC-ZDUSSCGKSA-N 1 0 332.322 3.341 10 5 EGBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865779258 1329737697 /nfs/dbraw/zinc/73/76/97/1329737697.db2.gz FVPZTMDESXIESQ-YHTSIIMFSA-N 1 0 346.427 3.173 10 5 EGBERO Cc1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000865787467 1329738592 /nfs/dbraw/zinc/73/85/92/1329738592.db2.gz NMBRCBSJAGNCCG-UHFFFAOYSA-N 1 0 345.365 3.410 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@]23CCC[C@H]2OCC3)ccc1Br ZINC000865860680 1329746502 /nfs/dbraw/zinc/74/65/02/1329746502.db2.gz XJCPJQMZPGIATP-KGLIPLIRSA-N 1 0 341.205 3.159 10 5 EGBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]21 ZINC000866207738 1330078547 /nfs/dbraw/zinc/07/85/47/1330078547.db2.gz JNCVOSGJNDXINM-JKSUJKDBSA-N 1 0 338.411 3.187 10 5 EGBERO Cc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000866540732 1330124284 /nfs/dbraw/zinc/12/42/84/1330124284.db2.gz RYWPXCAVAZPJHX-UHFFFAOYSA-N 1 0 332.322 3.229 10 5 EGBERO CCCCC1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001198554279 1369060300 /nfs/dbraw/zinc/06/03/00/1369060300.db2.gz RUUSPAQOYMAPLX-UHFFFAOYSA-N 1 0 325.796 3.499 10 5 EGBERO CC1(C)CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC(C)(C)[NH2+]1 ZINC001124023832 1372659849 /nfs/dbraw/zinc/65/98/49/1372659849.db2.gz WRMVGAXUUIYMQN-UHFFFAOYSA-N 1 0 344.415 3.069 10 5 EGBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001137114661 1377481143 /nfs/dbraw/zinc/48/11/43/1377481143.db2.gz OUZLGEUXINHLPT-AEFFLSMTSA-N 1 0 347.459 3.154 10 5 EGBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC001141503361 1378335542 /nfs/dbraw/zinc/33/55/42/1378335542.db2.gz PVLXBHTYWXWIRK-CQSZACIVSA-N 1 0 333.432 3.067 10 5 EGBERO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001141649820 1378357937 /nfs/dbraw/zinc/35/79/37/1378357937.db2.gz WUBGQNVJGKJMHO-GFCCVEGCSA-N 1 0 341.839 3.027 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC001149051023 1379316597 /nfs/dbraw/zinc/31/65/97/1379316597.db2.gz JTNXWVJYHVGEOY-WBVHZDCISA-N 1 0 347.459 3.404 10 5 EGBERO CC/C=C(\C)C(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001327970936 1388636339 /nfs/dbraw/zinc/63/63/39/1388636339.db2.gz NQCKBCOZFMTQBL-VIZOYTHASA-N 1 0 345.443 3.422 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001162055861 1382615569 /nfs/dbraw/zinc/61/55/69/1382615569.db2.gz RRLJDPXCIXDFGZ-UHFFFAOYSA-N 1 0 325.412 3.268 10 5 EGBERO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001168504046 1383926862 /nfs/dbraw/zinc/92/68/62/1383926862.db2.gz FJYJIAGUQYJBHJ-UHFFFAOYSA-N 1 0 348.362 3.085 10 5 EGBERO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778535 1384030324 /nfs/dbraw/zinc/03/03/24/1384030324.db2.gz GBJMMNYQIHBTKZ-JLJPHGGASA-N 1 0 334.416 3.362 10 5 EGBERO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001307931043 1384058766 /nfs/dbraw/zinc/05/87/66/1384058766.db2.gz WAIJLFLHEZCTEP-TVQRCGJNSA-N 1 0 332.231 3.426 10 5 EGBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCC34CCOCC4)CC2)n1 ZINC001169934233 1384200575 /nfs/dbraw/zinc/20/05/75/1384200575.db2.gz YNQRTQMLVVKCSL-OAHLLOKOSA-N 1 0 348.447 3.025 10 5 EGBERO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001171734774 1384619491 /nfs/dbraw/zinc/61/94/91/1384619491.db2.gz LAZCQUJIFFNBKW-LJQANCHMSA-N 1 0 339.439 3.262 10 5 EGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC001171916838 1384680852 /nfs/dbraw/zinc/68/08/52/1384680852.db2.gz RBJFKNIKDAHTKF-INIZCTEOSA-N 1 0 348.443 3.381 10 5 EGBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CCCCC1 ZINC001317632165 1385364088 /nfs/dbraw/zinc/36/40/88/1385364088.db2.gz PBXDUPKOGYFGQI-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO Cc1cnc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111874 1390441886 /nfs/dbraw/zinc/44/18/86/1390441886.db2.gz NHWSRTCGQHSBOM-GOEBONIOSA-N 1 0 330.363 3.295 10 5 EGBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)n1ccnc1 ZINC001344127174 1390757504 /nfs/dbraw/zinc/75/75/04/1390757504.db2.gz LUZNFRPYYRHDTE-GFCCVEGCSA-N 1 0 349.412 3.250 10 5 EGBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC1CCCCC1 ZINC001481204132 1393149357 /nfs/dbraw/zinc/14/93/57/1393149357.db2.gz NALVHXBPZRSHLK-UHFFFAOYSA-N 1 0 339.461 3.175 10 5 EGBERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001482215416 1394809217 /nfs/dbraw/zinc/80/92/17/1394809217.db2.gz MFFGRRUGKPZIJA-KGVSQERTSA-N 1 0 337.445 3.141 10 5 EGBERO CC1(CNC(=O)C2CCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484130132 1395269468 /nfs/dbraw/zinc/26/94/68/1395269468.db2.gz ZIGSVMUVUDXYPU-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO C/C(=C/C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC001501920800 1396196678 /nfs/dbraw/zinc/19/66/78/1396196678.db2.gz BESFDQNTWQILFR-KAMYIIQDSA-N 1 0 343.427 3.080 10 5 EGBERO C[N@H+](CCCNC(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001689793487 1404138173 /nfs/dbraw/zinc/13/81/73/1404138173.db2.gz MKORESAWHQNPKC-KHPPLWFESA-N 1 0 333.432 3.135 10 5 EGBERO CCCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001707090442 1417196476 /nfs/dbraw/zinc/19/64/76/1417196476.db2.gz MYRUMEDRSNYHIY-WKILWMFISA-N 1 0 345.443 3.160 10 5 EGBERO C[N@H+](CCCNC(=O)C1CC2(CCC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001712966309 1417520078 /nfs/dbraw/zinc/52/00/78/1417520078.db2.gz ZMWCIMPANHENEO-UHFFFAOYSA-N 1 0 345.443 3.113 10 5 EGBERO CC(C)C(=O)N1CCC(CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001715472579 1420151469 /nfs/dbraw/zinc/15/14/69/1420151469.db2.gz SKUADJVWORBGDC-UHFFFAOYSA-N 1 0 347.459 3.311 10 5 EGBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C(C)C ZINC001715734859 1420317566 /nfs/dbraw/zinc/31/75/66/1420317566.db2.gz UMRHAELTIXEXRC-UHFFFAOYSA-N 1 0 341.477 3.277 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001716273671 1420590575 /nfs/dbraw/zinc/59/05/75/1420590575.db2.gz VEIJEENWIOHAMA-WAYWQWQTSA-N 1 0 345.443 3.327 10 5 EGBERO CCC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001717156530 1421145956 /nfs/dbraw/zinc/14/59/56/1421145956.db2.gz BTIKTEYXTSVFLJ-UHFFFAOYSA-N 1 0 333.432 3.160 10 5 EGBERO CC/C(C)=C/C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001717206131 1421176287 /nfs/dbraw/zinc/17/62/87/1421176287.db2.gz CCFWWMJBCWZXRC-FYWRMAATSA-N 1 0 333.432 3.231 10 5 EGBERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001717646944 1421548709 /nfs/dbraw/zinc/54/87/09/1421548709.db2.gz LIEMFIDZMLRHSY-FGSSEGGKSA-N 1 0 343.427 3.102 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCCCC1 ZINC001723008991 1424287051 /nfs/dbraw/zinc/28/70/51/1424287051.db2.gz ORNUWKKKJQQIAW-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO C/C=C(/C)C(=O)NCC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001724284251 1424774039 /nfs/dbraw/zinc/77/40/39/1424774039.db2.gz LHNLKPAVAJFVHT-TVPGTPATSA-N 1 0 345.443 3.279 10 5 EGBERO CC/C(C)=C/C(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733862417 1437691629 /nfs/dbraw/zinc/69/16/29/1437691629.db2.gz AAEHDJYTGMKNAU-FYWRMAATSA-N 1 0 345.443 3.422 10 5 EGBERO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003327016 210008226 /nfs/dbraw/zinc/00/82/26/210008226.db2.gz QPICZOUGTVPHPE-LLVKDONJSA-N 1 0 342.852 3.019 10 5 EGBERO C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341108263 299155239 /nfs/dbraw/zinc/15/52/39/299155239.db2.gz HZMYLOZUOOEAOS-KFWWJZLASA-N 1 0 348.447 3.218 10 5 EGBERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000360918603 283332423 /nfs/dbraw/zinc/33/24/23/283332423.db2.gz KJIQIDZUKSDDSD-CXAGYDPISA-N 1 0 327.384 3.123 10 5 EGBERO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000035273819 213016941 /nfs/dbraw/zinc/01/69/41/213016941.db2.gz YOHSJGJURKNXTF-ZANVPECISA-N 1 0 329.194 3.014 10 5 EGBERO O=[N+]([O-])c1cc(F)cc(Br)c1OCCC[NH2+]C1CC1 ZINC000037288863 213139271 /nfs/dbraw/zinc/13/92/71/213139271.db2.gz BKIQNOOXHINDBT-UHFFFAOYSA-N 1 0 333.157 3.017 10 5 EGBERO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246683425 243294019 /nfs/dbraw/zinc/29/40/19/243294019.db2.gz LXZVSFCAIWSNDX-QAPCUYQASA-N 1 0 348.349 3.223 10 5 EGBERO CSc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000171505859 144005314 /nfs/dbraw/zinc/00/53/14/144005314.db2.gz YNQITRUGPAGSJG-UHFFFAOYSA-N 1 0 349.456 3.017 10 5 EGBERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178639828 144073964 /nfs/dbraw/zinc/07/39/64/144073964.db2.gz DIRCXIBJVGHPTO-MLGOLLRUSA-N 1 0 325.368 3.371 10 5 EGBERO COc1ccc(CNc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000351543162 144276804 /nfs/dbraw/zinc/27/68/04/144276804.db2.gz FTICXVDRPYFRMA-UHFFFAOYSA-N 1 0 338.367 3.460 10 5 EGBERO CC(=O)c1cc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000325693757 154180356 /nfs/dbraw/zinc/18/03/56/154180356.db2.gz QWYSBTZKAOXPTA-UHFFFAOYSA-N 1 0 331.416 3.110 10 5 EGBERO O=[N+]([O-])c1ccc(Br)cc1NCC[C@@H]1CCC[NH2+]C1 ZINC000087834907 161866625 /nfs/dbraw/zinc/86/66/25/161866625.db2.gz QNKCJMDVMSOAPN-JTQLQIEISA-N 1 0 328.210 3.159 10 5 EGBERO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000338584452 163283319 /nfs/dbraw/zinc/28/33/19/163283319.db2.gz PFWUANGCBPXJDU-AGUYFDCRSA-N 1 0 344.390 3.378 10 5 EGBERO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000344429926 164177597 /nfs/dbraw/zinc/17/75/97/164177597.db2.gz BYZVUTIZFMAEST-CYBMUJFWSA-N 1 0 332.429 3.375 10 5 EGBERO O=[N+]([O-])c1cnccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000357041085 166570435 /nfs/dbraw/zinc/57/04/35/166570435.db2.gz JDRFLEYPIXYBGT-UHFFFAOYSA-N 1 0 326.400 3.010 10 5 EGBERO CCC[NH+]1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000357324997 166647341 /nfs/dbraw/zinc/64/73/41/166647341.db2.gz BEUIJMZFPAWGIF-UHFFFAOYSA-N 1 0 339.823 3.161 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000359089766 167063968 /nfs/dbraw/zinc/06/39/68/167063968.db2.gz DKFBCPHRXXZITM-UHFFFAOYSA-N 1 0 334.445 3.236 10 5 EGBERO Cc1cnn([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000122989109 222195143 /nfs/dbraw/zinc/19/51/43/222195143.db2.gz QJMKQKITKURHMB-PFWMLDTASA-N 1 0 326.400 3.450 10 5 EGBERO COc1cccc2c1CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000193720035 266055654 /nfs/dbraw/zinc/05/56/54/266055654.db2.gz KLGFJPXMILWWMV-UHFFFAOYSA-N 1 0 330.359 3.343 10 5 EGBERO CO[C@H](C)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000340850271 274075142 /nfs/dbraw/zinc/07/51/42/274075142.db2.gz OLNBOLKXJYVMJS-CYBMUJFWSA-N 1 0 333.388 3.495 10 5 EGBERO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000278658327 275262886 /nfs/dbraw/zinc/26/28/86/275262886.db2.gz MZVGQZWEIFEGCA-UHFFFAOYSA-N 1 0 331.319 3.402 10 5 EGBERO CC1(C)CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000355253350 276136010 /nfs/dbraw/zinc/13/60/10/276136010.db2.gz KBHSFZWZFGCISA-UHFFFAOYSA-N 1 0 326.400 3.091 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000288776151 276251646 /nfs/dbraw/zinc/25/16/46/276251646.db2.gz BKNMLTUBEFCQIK-GXTWGEPZSA-N 1 0 347.415 3.052 10 5 EGBERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120046461 276354663 /nfs/dbraw/zinc/35/46/63/276354663.db2.gz VLHRWBYXKOQXDT-CQSZACIVSA-N 1 0 327.384 3.444 10 5 EGBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)c2ccccc2)c1 ZINC000249030421 308017321 /nfs/dbraw/zinc/01/73/21/308017321.db2.gz FDNVZSRPCOQMLX-GDIGMMSISA-N 1 0 326.396 3.435 10 5 EGBERO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000299635296 308682383 /nfs/dbraw/zinc/68/23/83/308682383.db2.gz MFXQRVZOOFDJLN-MRXNPFEDSA-N 1 0 345.399 3.309 10 5 EGBERO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929098 309109782 /nfs/dbraw/zinc/10/97/82/309109782.db2.gz NOLJJKLZOYNYKW-LRDDRELGSA-N 1 0 331.441 3.411 10 5 EGBERO CC(C)(C)c1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415700990 309141422 /nfs/dbraw/zinc/14/14/22/309141422.db2.gz NRLJANSHCBYAJC-UHFFFAOYSA-N 1 0 334.420 3.156 10 5 EGBERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704564 309141474 /nfs/dbraw/zinc/14/14/74/309141474.db2.gz SFKMNFUSSGCHQO-NWDGAFQWSA-N 1 0 334.420 3.106 10 5 EGBERO CC[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000421371336 309321348 /nfs/dbraw/zinc/32/13/48/309321348.db2.gz CLKMLHGKMBWFMG-AAEUAGOBSA-N 1 0 330.331 3.243 10 5 EGBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000421455885 309325234 /nfs/dbraw/zinc/32/52/34/309325234.db2.gz HMAVRDSEDCAKCY-MRXNPFEDSA-N 1 0 345.443 3.302 10 5 EGBERO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421760562 309338960 /nfs/dbraw/zinc/33/89/60/309338960.db2.gz XBJAGROGTJBMOF-UHFFFAOYSA-N 1 0 347.459 3.406 10 5 EGBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000433052722 309676943 /nfs/dbraw/zinc/67/69/43/309676943.db2.gz MMAPXMHVXZHNJO-SSDMNJCBSA-N 1 0 347.415 3.100 10 5 EGBERO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)c1 ZINC000442995685 309893257 /nfs/dbraw/zinc/89/32/57/309893257.db2.gz UROLTKGQJFSAPY-UHFFFAOYSA-N 1 0 345.830 3.396 10 5 EGBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCCCOc3ccccc3)nc2c1 ZINC000446839569 309969149 /nfs/dbraw/zinc/96/91/49/309969149.db2.gz SZCBUQZJZNUUJV-UHFFFAOYSA-N 1 0 340.383 3.420 10 5 EGBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CF)CCOCC3)o2)c1 ZINC000449446123 310062540 /nfs/dbraw/zinc/06/25/40/310062540.db2.gz OUBSWENDUDGAQA-UHFFFAOYSA-N 1 0 334.347 3.463 10 5 EGBERO CCn1nccc1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543475 310184557 /nfs/dbraw/zinc/18/45/57/310184557.db2.gz BXVLDVDRVZZPJP-INIZCTEOSA-N 1 0 328.416 3.233 10 5 EGBERO CC[C@@H]1CC[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451956799 310204961 /nfs/dbraw/zinc/20/49/61/310204961.db2.gz RUYKQNPXJOKNMY-UONOGXRCSA-N 1 0 347.415 3.403 10 5 EGBERO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454703955 310324754 /nfs/dbraw/zinc/32/47/54/310324754.db2.gz ABDOLIBSEOULTA-HLIUYOAVSA-N 1 0 348.447 3.075 10 5 EGBERO COc1cccc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000468510095 310689458 /nfs/dbraw/zinc/68/94/58/310689458.db2.gz JVBKMVOGRLIHHK-AWEZNQCLSA-N 1 0 329.400 3.152 10 5 EGBERO Cc1cncn1C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487714480 311034826 /nfs/dbraw/zinc/03/48/26/311034826.db2.gz ABBULALOANNOOG-UHFFFAOYSA-N 1 0 337.383 3.489 10 5 EGBERO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000487718755 311035238 /nfs/dbraw/zinc/03/52/38/311035238.db2.gz FPWCMGUGUHEQAR-HUUCEWRRSA-N 1 0 348.447 3.138 10 5 EGBERO C[NH+](C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1cccs1 ZINC000487897329 311041775 /nfs/dbraw/zinc/04/17/75/311041775.db2.gz QCAWPKLOITYTBO-AWEZNQCLSA-N 1 0 342.424 3.341 10 5 EGBERO C[NH+](C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])c1ccsc1 ZINC000487912748 311042439 /nfs/dbraw/zinc/04/24/39/311042439.db2.gz HAQAMNWMMYSFKL-HNNXBMFYSA-N 1 0 342.424 3.341 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC2CCC1CC2 ZINC000550829438 315135501 /nfs/dbraw/zinc/13/55/01/315135501.db2.gz HKQIXMFOVXMEAQ-VWLISTAJSA-N 1 0 331.416 3.480 10 5 EGBERO COc1ccccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564123979 316115898 /nfs/dbraw/zinc/11/58/98/316115898.db2.gz NLAPUBCLYXFRLQ-UHFFFAOYSA-N 1 0 325.368 3.417 10 5 EGBERO CCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350645605 324110945 /nfs/dbraw/zinc/11/09/45/324110945.db2.gz RRVJPFXFDAEMBX-CQSZACIVSA-N 1 0 346.387 3.124 10 5 EGBERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000382459187 324250576 /nfs/dbraw/zinc/25/05/76/324250576.db2.gz TTYDSEAHZIVNPX-UWVGGRQHSA-N 1 0 328.210 3.205 10 5 EGBERO CC1=C[C@@H](C)C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000579655685 325139281 /nfs/dbraw/zinc/13/92/81/325139281.db2.gz CSUCGSCNYWGAQC-ZBFHGGJFSA-N 1 0 330.432 3.104 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000183289294 455271552 /nfs/dbraw/zinc/27/15/52/455271552.db2.gz PNNYQDOXYNLLIF-UHFFFAOYSA-N 1 0 345.443 3.128 10 5 EGBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003244362 452752134 /nfs/dbraw/zinc/75/21/34/452752134.db2.gz OUTAAJRTTHDXBU-XHDPSFHLSA-N 1 0 349.412 3.205 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000008248324 453182676 /nfs/dbraw/zinc/18/26/76/453182676.db2.gz FPPBFSZGTYVJEY-LLVKDONJSA-N 1 0 349.337 3.471 10 5 EGBERO CC(C)C[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012559206 453374858 /nfs/dbraw/zinc/37/48/58/453374858.db2.gz ASWYFGVXWWJFQU-CQSZACIVSA-N 1 0 331.420 3.165 10 5 EGBERO COc1ccc(-c2ccc(CN[C@@H]3CC[C@H](C)[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000600771711 460596832 /nfs/dbraw/zinc/59/68/32/460596832.db2.gz AJDMTTXJRWCVSY-QWHCGFSZSA-N 1 0 345.399 3.094 10 5 EGBERO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000184221888 455363464 /nfs/dbraw/zinc/36/34/64/455363464.db2.gz VZXYBHKNQMEHDD-LBPRGKRZSA-N 1 0 348.428 3.348 10 5 EGBERO CCn1cc([C@@H]2CN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000190785682 455382003 /nfs/dbraw/zinc/38/20/03/455382003.db2.gz CUDLIWBPJYOIFG-KSSFIOAISA-N 1 0 344.415 3.254 10 5 EGBERO Cc1sc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000054286532 453921186 /nfs/dbraw/zinc/92/11/86/453921186.db2.gz KAEKORPMJTWFOG-LLVKDONJSA-N 1 0 339.461 3.205 10 5 EGBERO O=[N+]([O-])c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000075799844 453926803 /nfs/dbraw/zinc/92/68/03/453926803.db2.gz FCFAIZIDGWDRAY-UHFFFAOYSA-N 1 0 339.439 3.392 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038419305 453940722 /nfs/dbraw/zinc/94/07/22/453940722.db2.gz WDHJIGWXZAXIFG-INIZCTEOSA-N 1 0 325.412 3.474 10 5 EGBERO C[C@H]1C[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000089908026 454231624 /nfs/dbraw/zinc/23/16/24/454231624.db2.gz QKPOGSJDFQUVAQ-SUMWQHHRSA-N 1 0 344.415 3.164 10 5 EGBERO Cc1cc(C)cc(OCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000612468206 460635877 /nfs/dbraw/zinc/63/58/77/460635877.db2.gz QJVASBYONAYGCP-UHFFFAOYSA-N 1 0 327.384 3.044 10 5 EGBERO Cc1sc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000063804175 454450351 /nfs/dbraw/zinc/45/03/51/454450351.db2.gz GGSBVIZNNBPPKE-CQSZACIVSA-N 1 0 339.461 3.205 10 5 EGBERO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074763972 454631189 /nfs/dbraw/zinc/63/11/89/454631189.db2.gz RIHOCNPLDRXEJR-HOCLYGCPSA-N 1 0 341.415 3.016 10 5 EGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105875996 454660850 /nfs/dbraw/zinc/66/08/50/454660850.db2.gz QYNWFLAZNACXQZ-AWEZNQCLSA-N 1 0 328.416 3.344 10 5 EGBERO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000106466917 454696684 /nfs/dbraw/zinc/69/66/84/454696684.db2.gz QYFNIZHHPOABMY-LBPRGKRZSA-N 1 0 346.383 3.471 10 5 EGBERO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162539324 454782818 /nfs/dbraw/zinc/78/28/18/454782818.db2.gz OBMXQTSIDQHWPV-QGZVFWFLSA-N 1 0 327.384 3.066 10 5 EGBERO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000138208508 454789994 /nfs/dbraw/zinc/78/99/94/454789994.db2.gz PKXOGCQJQDJTGG-HLIUYOAVSA-N 1 0 348.447 3.075 10 5 EGBERO Cc1c(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000154674564 454918310 /nfs/dbraw/zinc/91/83/10/454918310.db2.gz HHJMSNBTGIDIAQ-CQSZACIVSA-N 1 0 334.420 3.145 10 5 EGBERO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)cccc1[N+](=O)[O-] ZINC000151508977 454994896 /nfs/dbraw/zinc/99/48/96/454994896.db2.gz GGLBCMREYRTHQQ-AWEZNQCLSA-N 1 0 337.383 3.335 10 5 EGBERO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1[N+](=O)[O-] ZINC000179406980 455045611 /nfs/dbraw/zinc/04/56/11/455045611.db2.gz JVULNSDSBFZNBV-LBPRGKRZSA-N 1 0 348.374 3.476 10 5 EGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245382301 455283288 /nfs/dbraw/zinc/28/32/88/455283288.db2.gz IHJKCEHZDXDTHT-CJNGLKHVSA-N 1 0 328.368 3.428 10 5 EGBERO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1nccs1 ZINC000159914832 455415497 /nfs/dbraw/zinc/41/54/97/455415497.db2.gz SZHHUSUTQHIUQQ-UHFFFAOYSA-N 1 0 335.429 3.383 10 5 EGBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000246771022 455523082 /nfs/dbraw/zinc/52/30/82/455523082.db2.gz AWZYODFVRNDCLI-ZFWWWQNUSA-N 1 0 345.443 3.201 10 5 EGBERO COc1cccc(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1[N+](=O)[O-] ZINC000185312587 455538430 /nfs/dbraw/zinc/53/84/30/455538430.db2.gz KDQVOBPHWBIPGT-CQSZACIVSA-N 1 0 342.399 3.245 10 5 EGBERO CC[NH+]1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277797916 455669759 /nfs/dbraw/zinc/66/97/59/455669759.db2.gz OCCBCLRSRMWHAI-UHFFFAOYSA-N 1 0 349.434 3.308 10 5 EGBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000186338645 455747354 /nfs/dbraw/zinc/74/73/54/455747354.db2.gz ITOGQJGKOACQCV-CCEZHUSRSA-N 1 0 345.443 3.188 10 5 EGBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000270481693 455965247 /nfs/dbraw/zinc/96/52/47/455965247.db2.gz FWKPPTCTYZDSAX-QGZVFWFLSA-N 1 0 345.374 3.123 10 5 EGBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280492703 455981868 /nfs/dbraw/zinc/98/18/68/455981868.db2.gz MKDFDNLNRBQFBC-KDOFPFPSSA-N 1 0 334.416 3.234 10 5 EGBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000289862378 456159893 /nfs/dbraw/zinc/15/98/93/456159893.db2.gz RDAYDBLVFMVGBR-GXTWGEPZSA-N 1 0 334.420 3.104 10 5 EGBERO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000302134186 456295774 /nfs/dbraw/zinc/29/57/74/456295774.db2.gz CVSMJSJQBYXPMK-UHFFFAOYSA-N 1 0 327.331 3.260 10 5 EGBERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302182852 456309335 /nfs/dbraw/zinc/30/93/35/456309335.db2.gz RKEOFOFVWDBCOZ-KBXCAEBGSA-N 1 0 341.411 3.020 10 5 EGBERO Cn1c2c(nc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1)CCCC2 ZINC000281772098 456315494 /nfs/dbraw/zinc/31/54/94/456315494.db2.gz DGBPQKKSUNDGJQ-LBPRGKRZSA-N 1 0 333.417 3.005 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000340535269 456517348 /nfs/dbraw/zinc/51/73/48/456517348.db2.gz SSYCUOLSIJYHNI-XMTFNYHQSA-N 1 0 344.415 3.251 10 5 EGBERO CC[NH+](CC)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291783162 456755611 /nfs/dbraw/zinc/75/56/11/456755611.db2.gz CPVAJHDEYXWXTB-CQSZACIVSA-N 1 0 328.416 3.311 10 5 EGBERO CCc1ccc([C@@H]([NH2+]CCc2cn[nH]c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353638954 456820136 /nfs/dbraw/zinc/82/01/36/456820136.db2.gz COFQWQYDCAFBBB-SFHVURJKSA-N 1 0 340.383 3.395 10 5 EGBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292181307 456877903 /nfs/dbraw/zinc/87/79/03/456877903.db2.gz GJDVNNPLMGBSMD-SECBINFHSA-N 1 0 348.230 3.362 10 5 EGBERO CC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000339076728 456929123 /nfs/dbraw/zinc/92/91/23/456929123.db2.gz CCQHFSUUFFKGCY-QZTJIDSGSA-N 1 0 332.375 3.378 10 5 EGBERO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354078998 457048541 /nfs/dbraw/zinc/04/85/41/457048541.db2.gz BFWKUUFKFWEYPX-LBPRGKRZSA-N 1 0 329.322 3.287 10 5 EGBERO CCOc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186434 457143295 /nfs/dbraw/zinc/14/32/95/457143295.db2.gz TWTLOKDBJWBCJY-ZBFHGGJFSA-N 1 0 336.432 3.222 10 5 EGBERO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354418828 457210152 /nfs/dbraw/zinc/21/01/52/457210152.db2.gz JARRXZHAZGFNQN-CQSZACIVSA-N 1 0 346.818 3.354 10 5 EGBERO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000352550516 457459939 /nfs/dbraw/zinc/45/99/39/457459939.db2.gz OGYNNEYKRJKQJL-UHFFFAOYSA-N 1 0 328.368 3.041 10 5 EGBERO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697975 457462418 /nfs/dbraw/zinc/46/24/18/457462418.db2.gz FAVHLTRPEJIPTH-GJZGRUSLSA-N 1 0 349.431 3.060 10 5 EGBERO Cn1nccc1-c1ccccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000352717816 457554784 /nfs/dbraw/zinc/55/47/84/457554784.db2.gz WQMKIYOSUOVARF-UHFFFAOYSA-N 1 0 336.395 3.328 10 5 EGBERO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284499 457850120 /nfs/dbraw/zinc/85/01/20/457850120.db2.gz SGHMQQDKZNTKQS-ZDUSSCGKSA-N 1 0 335.404 3.197 10 5 EGBERO CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366330 457866101 /nfs/dbraw/zinc/86/61/01/457866101.db2.gz JHVRAPQMOYNLIM-CABCVRRESA-N 1 0 349.431 3.203 10 5 EGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412054853 458070195 /nfs/dbraw/zinc/07/01/95/458070195.db2.gz NBGUDZYSFQUMSI-KJWYOANISA-N 1 0 345.443 3.077 10 5 EGBERO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453199 458145063 /nfs/dbraw/zinc/14/50/63/458145063.db2.gz ARKOQBOKNGMMCK-SJKOYZFVSA-N 1 0 346.383 3.066 10 5 EGBERO COc1cc(C[NH2+][C@H](C)CCCc2cccnc2)ccc1[N+](=O)[O-] ZINC000459644669 458434854 /nfs/dbraw/zinc/43/48/54/458434854.db2.gz XGOLLPRMWKLRHF-CQSZACIVSA-N 1 0 329.400 3.499 10 5 EGBERO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473517000 458832839 /nfs/dbraw/zinc/83/28/39/458832839.db2.gz FUNLHZGOUPKZPR-CZUORRHYSA-N 1 0 328.416 3.310 10 5 EGBERO CCc1cccc(F)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474280637 458874379 /nfs/dbraw/zinc/87/43/79/458874379.db2.gz OCOXOKSSZRZMFI-CQSZACIVSA-N 1 0 344.390 3.378 10 5 EGBERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000475158439 458926338 /nfs/dbraw/zinc/92/63/38/458926338.db2.gz MMQVBEXLMQFKMF-SJORKVTESA-N 1 0 345.443 3.288 10 5 EGBERO COc1ccc(-c2ccc(CNCCC[NH+]3CCC3)o2)c([N+](=O)[O-])c1 ZINC000594499097 459062958 /nfs/dbraw/zinc/06/29/58/459062958.db2.gz CIZYIXTVDORJEA-UHFFFAOYSA-N 1 0 345.399 3.049 10 5 EGBERO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594511923 459070134 /nfs/dbraw/zinc/07/01/34/459070134.db2.gz SIRRWZJILBJFHX-VVLHAWIVSA-N 1 0 349.475 3.003 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594516928 459074108 /nfs/dbraw/zinc/07/41/08/459074108.db2.gz YZCMELMZOHXBEO-XNRPHZJLSA-N 1 0 349.431 3.248 10 5 EGBERO COc1cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000594516704 459074196 /nfs/dbraw/zinc/07/41/96/459074196.db2.gz DKUULZXLYROYKY-JOCQHMNTSA-N 1 0 338.404 3.048 10 5 EGBERO [NH3+]C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)(F)F ZINC000594583217 459098222 /nfs/dbraw/zinc/09/82/22/459098222.db2.gz BXDMHQCSZOKYRV-CYBMUJFWSA-N 1 0 345.346 3.303 10 5 EGBERO Cc1ccncc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594965719 459197967 /nfs/dbraw/zinc/19/79/67/459197967.db2.gz CULPZIMCPXLHKK-UHFFFAOYSA-N 1 0 337.326 3.232 10 5 EGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C[C@@H](O)C34CCC4)cs2)c1 ZINC000594985871 459204550 /nfs/dbraw/zinc/20/45/50/459204550.db2.gz BKBXOABPAHJRJI-LSDHHAIUSA-N 1 0 345.424 3.111 10 5 EGBERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595016702 459216551 /nfs/dbraw/zinc/21/65/51/459216551.db2.gz RVJYPAPSHGHLQM-GFCCVEGCSA-N 1 0 338.404 3.061 10 5 EGBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F ZINC000595039059 459224884 /nfs/dbraw/zinc/22/48/84/459224884.db2.gz BFXDAHBXVWIKLP-RNCFNFMXSA-N 1 0 336.310 3.221 10 5 EGBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)c1ccccn1 ZINC000595048777 459228064 /nfs/dbraw/zinc/22/80/64/459228064.db2.gz NDNWBNILEJDPPL-UONOGXRCSA-N 1 0 342.399 3.100 10 5 EGBERO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000595062264 459232422 /nfs/dbraw/zinc/23/24/22/459232422.db2.gz UUSBYCCJBGOJMP-CQSZACIVSA-N 1 0 341.411 3.390 10 5 EGBERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595092677 459241661 /nfs/dbraw/zinc/24/16/61/459241661.db2.gz YYGNHTOFHMZWJN-NEPJUHHUSA-N 1 0 345.424 3.253 10 5 EGBERO CCc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595224311 459258282 /nfs/dbraw/zinc/25/82/82/459258282.db2.gz CNSGPFHHRRMWFI-IRXDYDNUSA-N 1 0 345.443 3.152 10 5 EGBERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@H]1n1cccn1 ZINC000559925423 459286191 /nfs/dbraw/zinc/28/61/91/459286191.db2.gz YFWATCODSRBHGU-RUGDWHBFSA-N 1 0 344.415 3.169 10 5 EGBERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470269 459314103 /nfs/dbraw/zinc/31/41/03/459314103.db2.gz NUUWLNVGIRSNGO-ANRZDRKOSA-N 1 0 336.407 3.495 10 5 EGBERO C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000582539415 459381501 /nfs/dbraw/zinc/38/15/01/459381501.db2.gz SZGVMTJLYXWKQQ-KFWWJZLASA-N 1 0 333.432 3.077 10 5 EGBERO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595819018 459452310 /nfs/dbraw/zinc/45/23/10/459452310.db2.gz KXGMSFMRKUOFDM-IWMBGFJWSA-N 1 0 337.395 3.428 10 5 EGBERO CO[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000592132720 459532687 /nfs/dbraw/zinc/53/26/87/459532687.db2.gz NDMNSCVKSPUBLD-LNLFQRSKSA-N 1 0 348.443 3.125 10 5 EGBERO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000592396709 459591233 /nfs/dbraw/zinc/59/12/33/459591233.db2.gz JDVAZHOSYSWBIO-XGUBFFRZSA-N 1 0 336.436 3.211 10 5 EGBERO Cc1cc(N2CCO[C@@](C)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596335955 459600523 /nfs/dbraw/zinc/60/05/23/459600523.db2.gz UCVDUFXWCVYULD-GOSISDBHSA-N 1 0 327.384 3.457 10 5 EGBERO CCc1ccc([C@@H](NCC23CC(C2)C[NH2+]3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000596651181 459714754 /nfs/dbraw/zinc/71/47/54/459714754.db2.gz AVFVECYXNWGSBT-SZSCYUJKSA-N 1 0 341.411 3.181 10 5 EGBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000597116070 459841585 /nfs/dbraw/zinc/84/15/85/459841585.db2.gz DAOTUCXZBMFKOE-OCCSQVGLSA-N 1 0 330.306 3.271 10 5 EGBERO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465969 459898313 /nfs/dbraw/zinc/89/83/13/459898313.db2.gz DJIDNHGMSJGJRE-DYVFJYSZSA-N 1 0 326.400 3.064 10 5 EGBERO C[N@@H+]1CCCC12CCN(c1ccnc3cc([N+](=O)[O-])ccc31)CC2 ZINC000593469218 459898941 /nfs/dbraw/zinc/89/89/41/459898941.db2.gz JBNKKRIOKBRGOC-UHFFFAOYSA-N 1 0 326.400 3.208 10 5 EGBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598466794 459904958 /nfs/dbraw/zinc/90/49/58/459904958.db2.gz VMMSOOQOEVYGNZ-UHFFFAOYSA-N 1 0 341.839 3.027 10 5 EGBERO Cc1c([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cccc1[N+](=O)[O-] ZINC000593725618 459965616 /nfs/dbraw/zinc/96/56/16/459965616.db2.gz SSOIFGKIYNTDKX-BBRMVZONSA-N 1 0 341.411 3.330 10 5 EGBERO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000594018223 460059214 /nfs/dbraw/zinc/05/92/14/460059214.db2.gz SPDQDTLLQJIVDN-RDTXWAMCSA-N 1 0 348.374 3.215 10 5 EGBERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccncc1 ZINC000618571586 460067306 /nfs/dbraw/zinc/06/73/06/460067306.db2.gz PSXVGEVZFGTUED-FVQBIDKESA-N 1 0 329.404 3.063 10 5 EGBERO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594041975 460069108 /nfs/dbraw/zinc/06/91/08/460069108.db2.gz LDKHRADPCRERQU-YOEHRIQHSA-N 1 0 349.431 3.169 10 5 EGBERO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858140 460082336 /nfs/dbraw/zinc/08/23/36/460082336.db2.gz KIIBWMUCFACNQC-AWEZNQCLSA-N 1 0 333.432 3.321 10 5 EGBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000576327968 460117769 /nfs/dbraw/zinc/11/77/69/460117769.db2.gz GXTKEYJVURYAEA-OAHLLOKOSA-N 1 0 342.374 3.080 10 5 EGBERO COc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598993634 460120739 /nfs/dbraw/zinc/12/07/39/460120739.db2.gz YYUAOBFQDNLKGM-MRXNPFEDSA-N 1 0 333.432 3.100 10 5 EGBERO O=[N+]([O-])c1c(NCCCOC[C@@H]2CCCO2)ccc2cnccc21 ZINC000599019023 460128211 /nfs/dbraw/zinc/12/82/11/460128211.db2.gz ASXOJWXUKSJBTB-AWEZNQCLSA-N 1 0 331.372 3.141 10 5 EGBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599059583 460145832 /nfs/dbraw/zinc/14/58/32/460145832.db2.gz YYBTVFLPFVTBJS-APIJFGDWSA-N 1 0 331.416 3.338 10 5 EGBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000598038926 460150978 /nfs/dbraw/zinc/15/09/78/460150978.db2.gz HKVNWCGEKOFVFL-AEFFLSMTSA-N 1 0 347.459 3.106 10 5 EGBERO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040927 460151472 /nfs/dbraw/zinc/15/14/72/460151472.db2.gz JJKDGBMWYBUTDM-CQSZACIVSA-N 1 0 347.440 3.366 10 5 EGBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599079043 460153670 /nfs/dbraw/zinc/15/36/70/460153670.db2.gz ANRAADUPRRAWHQ-ZFWWWQNUSA-N 1 0 326.400 3.206 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599080720 460153752 /nfs/dbraw/zinc/15/37/52/460153752.db2.gz IZHSXXULFOUMCG-OAHLLOKOSA-N 1 0 347.459 3.154 10 5 EGBERO COc1cc(CN2CCC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000614923810 460245719 /nfs/dbraw/zinc/24/57/19/460245719.db2.gz FRURPJAJBGQSKY-AWEZNQCLSA-N 1 0 348.321 3.147 10 5 EGBERO COC(=O)C1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000599697516 460314733 /nfs/dbraw/zinc/31/47/33/460314733.db2.gz RJECJTAOCOPHHJ-QWRGUYRKSA-N 1 0 340.807 3.410 10 5 EGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599779755 460332876 /nfs/dbraw/zinc/33/28/76/460332876.db2.gz JTIKZSMPYKATDH-HNNXBMFYSA-N 1 0 332.404 3.042 10 5 EGBERO CN1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518737 460385441 /nfs/dbraw/zinc/38/54/41/460385441.db2.gz MVQPNVQESIBWNH-HKUYNNGSSA-N 1 0 325.412 3.368 10 5 EGBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600314794 460471363 /nfs/dbraw/zinc/47/13/63/460471363.db2.gz PPJHOPBXLJBIMC-GFCCVEGCSA-N 1 0 339.823 3.018 10 5 EGBERO CCC1([NH+](C)C)CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000601228933 460757810 /nfs/dbraw/zinc/75/78/10/460757810.db2.gz ACHLYSKQYUKPDD-UHFFFAOYSA-N 1 0 328.416 3.454 10 5 EGBERO Cc1cc(N2CCO[C@@H](C(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000601232915 460759053 /nfs/dbraw/zinc/75/90/53/460759053.db2.gz VJFVYJAAJKWVSK-OAHLLOKOSA-N 1 0 337.326 3.312 10 5 EGBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000601622696 460849013 /nfs/dbraw/zinc/84/90/13/460849013.db2.gz SZIREUXCPLJTGK-UHFFFAOYSA-N 1 0 349.412 3.287 10 5 EGBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601664154 460862150 /nfs/dbraw/zinc/86/21/50/460862150.db2.gz JKGRVHQDHAHDCM-INIZCTEOSA-N 1 0 345.443 3.006 10 5 EGBERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000173412784 533851954 /nfs/dbraw/zinc/85/19/54/533851954.db2.gz LWOPYCJYEVFTAL-LBPRGKRZSA-N 1 0 333.413 3.127 10 5 EGBERO CC(C)c1csc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174875148 528240853 /nfs/dbraw/zinc/24/08/53/528240853.db2.gz QXZBXUMCVSIQTI-CYBMUJFWSA-N 1 0 349.460 3.251 10 5 EGBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178308762 528612125 /nfs/dbraw/zinc/61/21/25/528612125.db2.gz AXDRSOLNKLNJKN-KRWDZBQOSA-N 1 0 344.415 3.163 10 5 EGBERO COc1ccc([C@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872022368 1296666462 /nfs/dbraw/zinc/66/64/62/1296666462.db2.gz YEDITTXHYVXOFX-BDJLRTHQSA-N 1 0 334.347 3.127 10 5 EGBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000872090652 1296728799 /nfs/dbraw/zinc/72/87/99/1296728799.db2.gz DMPRNJUFUZJARS-GPKDWTCOSA-N 1 0 334.441 3.391 10 5 EGBERO CC(=O)c1c(N(C)CCC[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000882361211 1301933940 /nfs/dbraw/zinc/93/39/40/1301933940.db2.gz YACUNILPXIGHSM-UHFFFAOYSA-N 1 0 345.399 3.349 10 5 EGBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000886716103 1303577894 /nfs/dbraw/zinc/57/78/94/1303577894.db2.gz NZRRQXDVOTYBHW-BBRMVZONSA-N 1 0 349.431 3.107 10 5 EGBERO CCC1([NH+](C)C)CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000893137689 1305728289 /nfs/dbraw/zinc/72/82/89/1305728289.db2.gz HPVZGAFVJJSLAV-UHFFFAOYSA-N 1 0 333.432 3.158 10 5 EGBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1C ZINC000899163562 1310962051 /nfs/dbraw/zinc/96/20/51/1310962051.db2.gz RAKXLJJWAQXIOI-UHFFFAOYSA-N 1 0 345.443 3.160 10 5 EGBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000858128225 1328689626 /nfs/dbraw/zinc/68/96/26/1328689626.db2.gz FGDOIBPULKOESW-LBPRGKRZSA-N 1 0 346.330 3.498 10 5 EGBERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858912057 1328888667 /nfs/dbraw/zinc/88/86/67/1328888667.db2.gz SYPMDJQSDIQPSC-AWEZNQCLSA-N 1 0 341.411 3.210 10 5 EGBERO CC1(C)OCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930606423 1328912227 /nfs/dbraw/zinc/91/22/27/1328912227.db2.gz OOOGLEHFBSEBQM-GFCCVEGCSA-N 1 0 329.194 3.014 10 5 EGBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000859564866 1329018420 /nfs/dbraw/zinc/01/84/20/1329018420.db2.gz QICNAADZFWRZEE-MSOLQXFVSA-N 1 0 327.384 3.154 10 5 EGBERO Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C2CCCC2)n1 ZINC000921940700 1322426890 /nfs/dbraw/zinc/42/68/90/1322426890.db2.gz VNWOALBPZFEXLB-UHFFFAOYSA-N 1 0 328.416 3.318 10 5 EGBERO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000922873981 1322638190 /nfs/dbraw/zinc/63/81/90/1322638190.db2.gz YUMDUFYCVCUIKT-ZIAGYGMSSA-N 1 0 330.388 3.275 10 5 EGBERO CCC1([NH+]2CCC2)CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000924385470 1323003440 /nfs/dbraw/zinc/00/34/40/1323003440.db2.gz GGPATGXNUIWSHG-RMKNXTFCSA-N 1 0 343.427 3.085 10 5 EGBERO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000925640485 1325243331 /nfs/dbraw/zinc/24/33/31/1325243331.db2.gz IDBDNQXJJRCIFA-LPHOPBHVSA-N 1 0 342.443 3.180 10 5 EGBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000926092933 1325422150 /nfs/dbraw/zinc/42/21/50/1325422150.db2.gz IFDOXUJVAZZUCN-AWEZNQCLSA-N 1 0 346.431 3.228 10 5 EGBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC1CCOCC1)CCCC2 ZINC000927076694 1327845778 /nfs/dbraw/zinc/84/57/78/1327845778.db2.gz MCZJAFXILUUJHI-GOSISDBHSA-N 1 0 334.416 3.148 10 5 EGBERO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033489 1329524786 /nfs/dbraw/zinc/52/47/86/1329524786.db2.gz VOPCFSQEFFSOPQ-SZEUEKNRSA-N 1 0 343.427 3.131 10 5 EGBERO C[NH+](C)CCSCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000865359481 1329688702 /nfs/dbraw/zinc/68/87/02/1329688702.db2.gz LSDMJNIBLIUSFK-UHFFFAOYSA-N 1 0 342.808 3.093 10 5 EGBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000866051255 1330059602 /nfs/dbraw/zinc/05/96/02/1330059602.db2.gz CTTFOPZKTLICSW-UHFFFAOYSA-N 1 0 340.427 3.455 10 5 EGBERO COc1cc(NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000866147344 1330070626 /nfs/dbraw/zinc/07/06/26/1330070626.db2.gz NDXZUXUMCNZOQK-UHFFFAOYSA-N 1 0 337.420 3.287 10 5 EGBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@@H]21 ZINC000866206429 1330078603 /nfs/dbraw/zinc/07/86/03/1330078603.db2.gz LAUCVFNHPAQHDI-MFKMUULPSA-N 1 0 329.322 3.144 10 5 EGBERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000866367243 1330102660 /nfs/dbraw/zinc/10/26/60/1330102660.db2.gz XDGXQBVSAUAQHB-DOTOQJQBSA-N 1 0 345.443 3.006 10 5 EGBERO C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000866392986 1330105776 /nfs/dbraw/zinc/10/57/76/1330105776.db2.gz KCKMTOVQNKPBGJ-VFVRVIDISA-N 1 0 332.375 3.377 10 5 EGBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000866532698 1330122880 /nfs/dbraw/zinc/12/28/80/1330122880.db2.gz LVGIUZAUNZHEMS-NVXWUHKLSA-N 1 0 348.443 3.091 10 5 EGBERO COc1cc(C(=O)N2c3ccccc3[C@H]([NH3+])C2(C)C)ccc1[N+](=O)[O-] ZINC000867989942 1330237614 /nfs/dbraw/zinc/23/76/14/1330237614.db2.gz GLQPUGDNHLTYLQ-INIZCTEOSA-N 1 0 341.367 3.042 10 5 EGBERO C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000868654662 1330306809 /nfs/dbraw/zinc/30/68/09/1330306809.db2.gz APGMEDPEINIGQZ-UQHVZDHRSA-N 1 0 348.447 3.218 10 5 EGBERO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CC[N@@H+]1C1CCCC1)CCCC2 ZINC001187242738 1388079890 /nfs/dbraw/zinc/07/98/90/1388079890.db2.gz MTXCFBHFFADFLI-HNNXBMFYSA-N 1 0 330.432 3.297 10 5 EGBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001187361746 1388099147 /nfs/dbraw/zinc/09/91/47/1388099147.db2.gz PJDUMXNBMHEJFF-HNNXBMFYSA-N 1 0 335.452 3.329 10 5 EGBERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001326403328 1388178520 /nfs/dbraw/zinc/17/85/20/1388178520.db2.gz ZDAVQPLVXFKFKS-QMTHXVAHSA-N 1 0 345.237 3.244 10 5 EGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001132400380 1375353796 /nfs/dbraw/zinc/35/37/96/1375353796.db2.gz IKMRWKGTCCSGOJ-CYBMUJFWSA-N 1 0 337.445 3.183 10 5 EGBERO C=C/C(C)=C/CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001273134874 1378089944 /nfs/dbraw/zinc/08/99/44/1378089944.db2.gz YIAJXOPCLTUQBF-WLRTZDKTSA-N 1 0 349.456 3.307 10 5 EGBERO C[C@@H]1CN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001163412771 1383046150 /nfs/dbraw/zinc/04/61/50/1383046150.db2.gz NVGALMGRYZDBOH-PHIMTYICSA-N 1 0 334.807 3.325 10 5 EGBERO CCc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001164009280 1383146145 /nfs/dbraw/zinc/14/61/45/1383146145.db2.gz XJHRXAYSFVRYKQ-UHFFFAOYSA-N 1 0 325.412 3.479 10 5 EGBERO CC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164352191 1383179964 /nfs/dbraw/zinc/17/99/64/1383179964.db2.gz ZKELURWOONKYKI-WMZOPIPTSA-N 1 0 345.443 3.497 10 5 EGBERO CC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001164352189 1383180159 /nfs/dbraw/zinc/18/01/59/1383180159.db2.gz ZKELURWOONKYKI-FUHWJXTLSA-N 1 0 345.443 3.497 10 5 EGBERO Cc1nc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC001164400633 1383184314 /nfs/dbraw/zinc/18/43/14/1383184314.db2.gz HBZUSOVTJFNTSL-CQSZACIVSA-N 1 0 332.791 3.103 10 5 EGBERO Cc1ccc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001164412885 1383185123 /nfs/dbraw/zinc/18/51/23/1383185123.db2.gz PWQZBKLTTOPFGU-MRXNPFEDSA-N 1 0 329.375 3.063 10 5 EGBERO CCO[C@@H]1C[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167475290 1383644940 /nfs/dbraw/zinc/64/49/40/1383644940.db2.gz ZFYYQTRSTRNVNI-DLBZAZTESA-N 1 0 336.432 3.499 10 5 EGBERO C[C@](CO)([NH2+]CCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001308000078 1384071673 /nfs/dbraw/zinc/07/16/73/1384071673.db2.gz QMCTWZLUKPGSSH-LJQANCHMSA-N 1 0 328.412 3.415 10 5 EGBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC001308150787 1384101179 /nfs/dbraw/zinc/10/11/79/1384101179.db2.gz JMMANLYZFDZOER-AEFFLSMTSA-N 1 0 335.423 3.429 10 5 EGBERO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCC1 ZINC001317121286 1384879479 /nfs/dbraw/zinc/87/94/79/1384879479.db2.gz HFZYTXKPODLHAY-IYBDPMFKSA-N 1 0 345.443 3.302 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCC1 ZINC001319970329 1386427128 /nfs/dbraw/zinc/42/71/28/1386427128.db2.gz RNKVLCOWOFXOAM-UHFFFAOYSA-N 1 0 333.432 3.065 10 5 EGBERO O=C(C=C1CCCCC1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001320985016 1386776176 /nfs/dbraw/zinc/77/61/76/1386776176.db2.gz JHRGQLNHGVTJDI-SNAWJCMRSA-N 1 0 343.427 3.247 10 5 EGBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001322393756 1387178135 /nfs/dbraw/zinc/17/81/35/1387178135.db2.gz MHJGGNXFNBSWKQ-UHFFFAOYSA-N 1 0 333.432 3.113 10 5 EGBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001329571324 1389160482 /nfs/dbraw/zinc/16/04/82/1389160482.db2.gz JXQFRZQUECVXNA-XHJNMGKDSA-N 1 0 340.374 3.298 10 5 EGBERO Cc1sccc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001479769968 1392377952 /nfs/dbraw/zinc/37/79/52/1392377952.db2.gz SOEFGWWDXWNUSY-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC=CCC1 ZINC001497760947 1396830958 /nfs/dbraw/zinc/83/09/58/1396830958.db2.gz FANZNPWOUCIAKD-FPLPWBNLSA-N 1 0 343.427 3.103 10 5 EGBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C=C1CCCCC1 ZINC001699170013 1412550196 /nfs/dbraw/zinc/55/01/96/1412550196.db2.gz HULVAKVKDQODLI-UHFFFAOYSA-N 1 0 345.443 3.423 10 5 EGBERO Cc1cc(C)c(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001712940692 1417502017 /nfs/dbraw/zinc/50/20/17/1417502017.db2.gz LUVFEWDFASEEGS-UHFFFAOYSA-N 1 0 345.399 3.057 10 5 EGBERO CC(C)(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001713947681 1418733414 /nfs/dbraw/zinc/73/34/14/1418733414.db2.gz PPBXTOHIWGLFTQ-WKILWMFISA-N 1 0 345.443 3.158 10 5 EGBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccco1 ZINC001714484426 1419207820 /nfs/dbraw/zinc/20/78/20/1419207820.db2.gz HGNGCNYCZHLHAN-UHFFFAOYSA-N 1 0 343.383 3.020 10 5 EGBERO CC1(C)C(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)C1(C)C ZINC001733241214 1429384775 /nfs/dbraw/zinc/38/47/75/1429384775.db2.gz KAOKBHNTPHVIJC-UHFFFAOYSA-N 1 0 345.443 3.015 10 5 EGBERO Cc1cccc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001715509648 1420193436 /nfs/dbraw/zinc/19/34/36/1420193436.db2.gz NSKKNKWOFSCQQI-UHFFFAOYSA-N 1 0 341.411 3.107 10 5 EGBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C(C)(C)C1(C)C ZINC001715515659 1420200594 /nfs/dbraw/zinc/20/05/94/1420200594.db2.gz NVHHBMSVOVAXJW-UHFFFAOYSA-N 1 0 347.459 3.167 10 5 EGBERO Cc1ccsc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001722966815 1424280691 /nfs/dbraw/zinc/28/06/91/1424280691.db2.gz KJJQRQNUXDZNRN-UHFFFAOYSA-N 1 0 347.440 3.217 10 5 EGBERO CC[N@H+](CCCNC(=O)c1coc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731305264 1427246885 /nfs/dbraw/zinc/24/68/85/1427246885.db2.gz IJGLVBHBJSJHQQ-UHFFFAOYSA-N 1 0 345.399 3.138 10 5 EGBERO CCC(C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001731459189 1427435640 /nfs/dbraw/zinc/43/56/40/1427435640.db2.gz IOYNWMAULBGERB-JOCQHMNTSA-N 1 0 339.461 3.219 10 5 EGBERO CCC(C)(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001734209810 1437944246 /nfs/dbraw/zinc/94/42/46/1437944246.db2.gz NPYFMBIGJCMNLV-WKILWMFISA-N 1 0 347.459 3.406 10 5 EGBERO