smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N[C@@H]2C[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000721876422 710688958 /nfs/dbraw/zinc/68/89/58/710688958.db2.gz WUYKUDAWTFVAIP-GFCCVEGCSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1cc(NCC2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715094049 712508091 /nfs/dbraw/zinc/50/80/91/712508091.db2.gz PWDLDBUESWNMJD-UHFFFAOYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NCC1CC([NH3+])C1 ZINC000715094041 712508156 /nfs/dbraw/zinc/50/81/56/712508156.db2.gz PPYHHYWIPHRVGH-UHFFFAOYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000715094011 712508182 /nfs/dbraw/zinc/50/81/82/712508182.db2.gz OTSVZGZZSWDXJE-MGCOHNPYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cccc(N2C[C@@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000720834518 712869409 /nfs/dbraw/zinc/86/94/09/712869409.db2.gz KPXBFSQUQFJAPR-LLVKDONJSA-N 1 0 249.314 2.077 10 5 BEBERO CCCC(=O)S[C@H](C)C[N+](C)(C)C ZINC000002510008 717094440 /nfs/dbraw/zinc/09/44/40/717094440.db2.gz DVFOJCMLZIFXBS-SECBINFHSA-N 1 0 204.359 2.141 10 5 BEBERO Cc1c(Cl)ccc([N+](=O)[O-])c1C[NH3+] ZINC000307430351 398164610 /nfs/dbraw/zinc/16/46/10/398164610.db2.gz VKSHLPLRKKOFST-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000336787684 178119762 /nfs/dbraw/zinc/11/97/62/178119762.db2.gz FQAUFQMCBWQBID-CYBMUJFWSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cc(NCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000054267625 178161056 /nfs/dbraw/zinc/16/10/56/178161056.db2.gz BVHCNPKOAQJWCH-UHFFFAOYSA-N 1 0 237.303 2.313 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CCC[NH3+] ZINC000310376162 178272666 /nfs/dbraw/zinc/27/26/66/178272666.db2.gz ZRCOSFJDYZTYLH-JTQLQIEISA-N 1 0 237.303 2.443 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)C1 ZINC000042548262 178272780 /nfs/dbraw/zinc/27/27/80/178272780.db2.gz NAEQPCFQXHCNHD-JTQLQIEISA-N 1 0 235.287 2.019 10 5 BEBERO C[C@H]([NH3+])C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000320465660 342733905 /nfs/dbraw/zinc/73/39/05/342733905.db2.gz FEXHEOIBZRSMCP-IUCAKERBSA-N 1 0 223.276 2.133 10 5 BEBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000320465656 342734054 /nfs/dbraw/zinc/73/40/54/342734054.db2.gz FEXHEOIBZRSMCP-BDAKNGLRSA-N 1 0 223.276 2.133 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCCC2(C[NH3+])CC2)c1 ZINC000404634205 398293587 /nfs/dbraw/zinc/29/35/87/398293587.db2.gz HVIYJFUXOVCFLK-UHFFFAOYSA-N 1 0 249.314 2.444 10 5 BEBERO Cc1cccc(NCCC2(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000404646377 398294117 /nfs/dbraw/zinc/29/41/17/398294117.db2.gz ONRCYJXJXJACPR-UHFFFAOYSA-N 1 0 249.314 2.444 10 5 BEBERO Cc1ccc([C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000072201916 343068565 /nfs/dbraw/zinc/06/85/65/343068565.db2.gz DUBNHJOMTCFKSM-SNVBAGLBSA-N 1 0 206.245 2.328 10 5 BEBERO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000381414731 344503346 /nfs/dbraw/zinc/50/33/46/344503346.db2.gz YUFJZOVWPOXRIP-SFYZADRCSA-N 1 0 241.266 2.190 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH3+] ZINC000381583196 344523404 /nfs/dbraw/zinc/52/34/04/344523404.db2.gz JZBJRKSLULIZSX-RKDXNWHRSA-N 1 0 223.276 2.051 10 5 BEBERO C[C@@H]([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000235178926 344836405 /nfs/dbraw/zinc/83/64/05/344836405.db2.gz SZERNDAJKDJCDT-ZCFIWIBFSA-N 1 0 229.667 2.007 10 5 BEBERO Cc1cc(Cl)c(C[NH3+])cc1[N+](=O)[O-] ZINC000247946156 344984099 /nfs/dbraw/zinc/98/40/99/344984099.db2.gz WJSWIEIVCKPJJE-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc([N+](=O)[O-])c(C[NH3+])cc1Cl ZINC000238551930 345076143 /nfs/dbraw/zinc/07/61/43/345076143.db2.gz QRKATENOUUSFES-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO [NH3+][C@H](CF)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000238684023 345108907 /nfs/dbraw/zinc/10/89/07/345108907.db2.gz MISNRFXXAJWXLJ-SSDOTTSWSA-N 1 0 218.615 2.218 10 5 BEBERO Cc1c(Cl)cc([N+](=O)[O-])cc1C[NH3+] ZINC000247835465 345315483 /nfs/dbraw/zinc/31/54/83/345315483.db2.gz NBJRZNCQQRZKKS-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000070447823 345716817 /nfs/dbraw/zinc/71/68/17/345716817.db2.gz NXXNZRCSJHCJNN-JTQLQIEISA-N 1 0 241.266 2.129 10 5 BEBERO Cc1cc(N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000591435730 347659807 /nfs/dbraw/zinc/65/98/07/347659807.db2.gz UUUBYFLWVYWMEP-UHFFFAOYSA-N 1 0 249.314 2.221 10 5 BEBERO [NH3+][C@@H]1C[C@]12CC=C(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000725265091 538093296 /nfs/dbraw/zinc/09/32/96/538093296.db2.gz FHROCQVIAGLFGB-DGCLKSJQSA-N 1 0 245.282 2.275 10 5 BEBERO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382407493 350599334 /nfs/dbraw/zinc/59/93/34/350599334.db2.gz BXHRFDCTZGODFC-ONGXEEELSA-N 1 0 235.287 2.134 10 5 BEBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000382416078 350600233 /nfs/dbraw/zinc/60/02/33/350600233.db2.gz HLNVDELINXFJGJ-NXEZZACHSA-N 1 0 235.287 2.134 10 5 BEBERO [NH3+]C[C@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000382416079 350600280 /nfs/dbraw/zinc/60/02/80/350600280.db2.gz HLNVDELINXFJGJ-UWVGGRQHSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1cccc(N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382436849 350776376 /nfs/dbraw/zinc/77/63/76/350776376.db2.gz WJXUWKFDEMFPSI-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO Cc1c(Br)c([N+](=O)[O-])ccc1C[NH3+] ZINC000307190291 351591747 /nfs/dbraw/zinc/59/17/47/351591747.db2.gz XEDUMYMTLRBLOK-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1c(C[NH3+])cc(Cl)cc1[N+](=O)[O-] ZINC000307344221 352092995 /nfs/dbraw/zinc/09/29/95/352092995.db2.gz YTGYXFOWVUYVAM-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO CC(C)C[C@@H](C[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000111830285 188011451 /nfs/dbraw/zinc/01/14/51/188011451.db2.gz VMAUXLKPWCMJTA-JTQLQIEISA-N 1 0 237.303 2.380 10 5 BEBERO C[C@@H]1Cc2ccc([N+](=O)[O-])cc2[C@@H]([NH3+])C1 ZINC000675078227 538515302 /nfs/dbraw/zinc/51/53/02/538515302.db2.gz NZRAWSUOMHMQNK-HQJQHLMTSA-N 1 0 206.245 2.177 10 5 BEBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000389724667 356930157 /nfs/dbraw/zinc/93/01/57/356930157.db2.gz JQKKLJNNDFCXNT-BXKDBHETSA-N 1 0 235.287 2.005 10 5 BEBERO O=[N+]([O-])c1cccnc1Nc1cc[nH+]cc1 ZINC000139088667 361565348 /nfs/dbraw/zinc/56/53/48/361565348.db2.gz BFPMHRQJWATGCS-UHFFFAOYSA-N 1 0 216.200 2.128 10 5 BEBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000082584632 371011235 /nfs/dbraw/zinc/01/12/35/371011235.db2.gz ANQIHMIOQQKZKY-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000082579352 371011310 /nfs/dbraw/zinc/01/13/10/371011310.db2.gz DZEUTRKZSZWJNO-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO CC(C)CN1C[C@H]([NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000019795903 371189293 /nfs/dbraw/zinc/18/92/93/371189293.db2.gz OAFQISNCMKTSIW-NSHDSACASA-N 1 0 235.287 2.071 10 5 BEBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000038050621 181575004 /nfs/dbraw/zinc/57/50/04/181575004.db2.gz WVLWFAONZQPFMH-ZJUUUORDSA-N 1 0 235.287 2.277 10 5 BEBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000038050620 181576234 /nfs/dbraw/zinc/57/62/34/181576234.db2.gz WVLWFAONZQPFMH-NXEZZACHSA-N 1 0 235.287 2.277 10 5 BEBERO [NH3+][C@H]1CCC[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048770155 181646666 /nfs/dbraw/zinc/64/66/66/181646666.db2.gz IKQLRHBVODPUOT-PWSUYJOCSA-N 1 0 220.272 2.265 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000600957661 371712739 /nfs/dbraw/zinc/71/27/39/371712739.db2.gz SAALIAAYVAZOGJ-VHSXEESVSA-N 1 0 235.287 2.066 10 5 BEBERO Cc1cccc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600955305 371714612 /nfs/dbraw/zinc/71/46/12/371714612.db2.gz MBBMWDHUXZEPPF-MNOVXSKESA-N 1 0 249.314 2.456 10 5 BEBERO CC[N@@H+]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000041066811 374104925 /nfs/dbraw/zinc/10/49/25/374104925.db2.gz JAHIZHQCWWWIRH-NSHDSACASA-N 1 0 249.314 2.491 10 5 BEBERO C[C@@H](CCC[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000310467161 384176662 /nfs/dbraw/zinc/17/66/62/384176662.db2.gz XUUGCBYSHKXODQ-QMMMGPOBSA-N 1 0 241.266 2.273 10 5 BEBERO O=[N+]([O-])c1cccc(C2CC[NH2+]CC2)c1 ZINC000071623970 384225577 /nfs/dbraw/zinc/22/55/77/384225577.db2.gz BVZAGHYGQGJUPG-UHFFFAOYSA-N 1 0 206.245 2.062 10 5 BEBERO C[C@H](C[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000235464565 384409875 /nfs/dbraw/zinc/40/98/75/384409875.db2.gz LPITUGGWMNUBEY-ZCFIWIBFSA-N 1 0 229.667 2.007 10 5 BEBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000320721264 384837943 /nfs/dbraw/zinc/83/79/43/384837943.db2.gz VZDSKSAUSLJEFO-SFYZADRCSA-N 1 0 241.266 2.272 10 5 BEBERO [NH3+]Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000299889990 385627108 /nfs/dbraw/zinc/62/71/08/385627108.db2.gz SAZJEKHOOBFACY-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO C[C@H]1[NH2+]CC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575434086 387057887 /nfs/dbraw/zinc/05/78/87/387057887.db2.gz IZADRDLPUNDXTG-MRVPVSSYSA-N 1 0 218.256 2.291 10 5 BEBERO [NH3+][C@H](CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000575437662 387109061 /nfs/dbraw/zinc/10/90/61/387109061.db2.gz MTMVCWXLKIUPMX-SSDOTTSWSA-N 1 0 216.187 2.250 10 5 BEBERO [NH3+][C@H](CCF)c1ccc(F)c([N+](=O)[O-])c1 ZINC000575439722 387125893 /nfs/dbraw/zinc/12/58/93/387125893.db2.gz VDBHZAJYQAMCTO-MRVPVSSYSA-N 1 0 216.187 2.093 10 5 BEBERO CCOC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000044691823 387691310 /nfs/dbraw/zinc/69/13/10/387691310.db2.gz ZJGFOHUVECRJOG-MRVPVSSYSA-N 1 0 244.316 2.171 10 5 BEBERO CCOCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036228917 387883294 /nfs/dbraw/zinc/88/32/94/387883294.db2.gz PPAGAFVWTSUWHR-JTQLQIEISA-N 1 0 238.287 2.282 10 5 BEBERO COC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525956 388774720 /nfs/dbraw/zinc/77/47/20/388774720.db2.gz UPNFPCHUOHIMSO-ZJUUUORDSA-N 1 0 238.287 2.280 10 5 BEBERO Cc1c([C@@H](C)[NH3+])cnn1-c1cccc([N+](=O)[O-])c1 ZINC000034956955 177627108 /nfs/dbraw/zinc/62/71/08/177627108.db2.gz ZNQMVGVIGMJTFW-MRVPVSSYSA-N 1 0 246.270 2.109 10 5 BEBERO Cc1c(OCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000035283325 177623857 /nfs/dbraw/zinc/62/38/57/177623857.db2.gz SMOXSLSTLQZBNB-UHFFFAOYSA-N 1 0 236.271 2.034 10 5 BEBERO CCCC[N+](C)(C)CCCC(=O)OCC ZINC000584647883 398080841 /nfs/dbraw/zinc/08/08/41/398080841.db2.gz OJHWFFYFKISBAN-UHFFFAOYSA-N 1 0 216.345 2.206 10 5 BEBERO CC[NH2+]CCCNc1cccc([N+](=O)[O-])c1 ZINC000038043442 170112461 /nfs/dbraw/zinc/11/24/61/170112461.db2.gz FQDFPCMTXMQAJV-UHFFFAOYSA-N 1 0 223.276 2.006 10 5 BEBERO CC[C@H](C)[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813005 171307437 /nfs/dbraw/zinc/30/74/37/171307437.db2.gz AKCUHOFQJJMCHO-VIFPVBQESA-N 1 0 237.303 2.407 10 5 BEBERO C[NH2+][C@@H](C)CCc1cccc([N+](=O)[O-])c1C ZINC000038001032 173414510 /nfs/dbraw/zinc/41/45/10/173414510.db2.gz YSAACZLCMASOSY-VIFPVBQESA-N 1 0 222.288 2.444 10 5 BEBERO C[NH2+][C@@H](C)[C@H](C)Cc1cccc([N+](=O)[O-])c1 ZINC000038001254 173416794 /nfs/dbraw/zinc/41/67/94/173416794.db2.gz YKFRQZZEXXCRBE-ZJUUUORDSA-N 1 0 222.288 2.381 10 5 BEBERO C[C@H](CCC[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000310467160 176620859 /nfs/dbraw/zinc/62/08/59/176620859.db2.gz XUUGCBYSHKXODQ-MRVPVSSYSA-N 1 0 241.266 2.273 10 5 BEBERO C[C@H]1Cc2ccc([N+](=O)[O-])cc2[C@H](C)[NH2+]1 ZINC000223591651 177389803 /nfs/dbraw/zinc/38/98/03/177389803.db2.gz IAHYHYRUXIBBJR-YUMQZZPRSA-N 1 0 206.245 2.190 10 5 BEBERO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000053204749 536365921 /nfs/dbraw/zinc/36/59/21/536365921.db2.gz VJOPVLQHZSPBAY-LLVKDONJSA-N 1 0 249.314 2.091 10 5 BEBERO C[NH2+][C@@H]1CCCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000053204895 536366164 /nfs/dbraw/zinc/36/61/64/536366164.db2.gz WCTGVXAPDPMACI-LLVKDONJSA-N 1 0 249.314 2.091 10 5 BEBERO CCCN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000109393308 588559805 /nfs/dbraw/zinc/55/98/05/588559805.db2.gz QBAJFMHFHBDIEG-ZDUSSCGKSA-N 1 0 249.314 2.173 10 5 BEBERO C[C@H]([NH3+])CN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000309213057 631970513 /nfs/dbraw/zinc/97/05/13/631970513.db2.gz TXGRDYQWYIMWKP-ZETCQYMHSA-N 1 0 243.694 2.032 10 5 BEBERO Cc1c(C[NH2+][C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000052278722 632117425 /nfs/dbraw/zinc/11/74/25/632117425.db2.gz LRUMENPAESATEJ-KCJUWKMLSA-N 1 0 220.272 2.401 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH3+])C1 ZINC000044531777 640401753 /nfs/dbraw/zinc/40/17/53/640401753.db2.gz DMFCXNURPKMTJL-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163998584 640434553 /nfs/dbraw/zinc/43/45/53/640434553.db2.gz HSELBJRREHXJGG-MNOVXSKESA-N 1 0 249.314 2.016 10 5 BEBERO C[NH2+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000063169473 641143408 /nfs/dbraw/zinc/14/34/08/641143408.db2.gz RBKLFAFNRQOOLW-ZDUSSCGKSA-N 1 0 249.314 2.173 10 5 BEBERO C[NH2+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000063169474 641143581 /nfs/dbraw/zinc/14/35/81/641143581.db2.gz RBKLFAFNRQOOLW-CYBMUJFWSA-N 1 0 249.314 2.173 10 5 BEBERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070174872 642984698 /nfs/dbraw/zinc/98/46/98/642984698.db2.gz FVJVWEDIKNJYBI-MNOVXSKESA-N 1 0 249.314 2.158 10 5 BEBERO CCN(c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071314335 643666458 /nfs/dbraw/zinc/66/64/58/643666458.db2.gz NVATWQNNPWIGIC-LBPRGKRZSA-N 1 0 249.314 2.091 10 5 BEBERO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[NH2+]C1 ZINC000086726985 644468471 /nfs/dbraw/zinc/46/84/71/644468471.db2.gz CIYBQPDDPIBLLD-MRVPVSSYSA-N 1 0 241.678 2.022 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342594 644716298 /nfs/dbraw/zinc/71/62/98/644716298.db2.gz PWPMSHFJIDBMOR-PWSUYJOCSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342595 644717338 /nfs/dbraw/zinc/71/73/38/644717338.db2.gz PWPMSHFJIDBMOR-ZYHUDNBSSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102365 644835285 /nfs/dbraw/zinc/83/52/85/644835285.db2.gz GLQAKRCNDXVDML-GWCFXTLKSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1cc(N[C@H]2C[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000721876425 710688762 /nfs/dbraw/zinc/68/87/62/710688762.db2.gz WUYKUDAWTFVAIP-LBPRGKRZSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1ccc(NC[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000723802595 710732455 /nfs/dbraw/zinc/73/24/55/710732455.db2.gz WBVLDNQSILGZKR-MNOVXSKESA-N 1 0 249.314 2.171 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](CC[NH3+])C1 ZINC000723672462 711533210 /nfs/dbraw/zinc/53/32/10/711533210.db2.gz NYMOAMIISKOCAJ-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](CC[NH3+])C1 ZINC000723675133 711533489 /nfs/dbraw/zinc/53/34/89/711533489.db2.gz MQGBKWYZPJOCPY-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]CC1(C)C ZINC000721871900 711793109 /nfs/dbraw/zinc/79/31/09/711793109.db2.gz KFPFGZUPABLZHT-GFCCVEGCSA-N 1 0 249.314 2.313 10 5 BEBERO C[N+](C)(C)CCCC(=O)c1ccccc1 ZINC000003198117 717095730 /nfs/dbraw/zinc/09/57/30/717095730.db2.gz QHTQTYMZPLSYDL-UHFFFAOYSA-N 1 0 206.309 2.356 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CC[NH3+] ZINC000309489918 178272247 /nfs/dbraw/zinc/27/22/47/178272247.db2.gz ZKVCDEFTHNHRGC-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CCC[NH3+] ZINC000310376163 178272941 /nfs/dbraw/zinc/27/29/41/178272941.db2.gz ZRCOSFJDYZTYLH-SNVBAGLBSA-N 1 0 237.303 2.443 10 5 BEBERO [NH3+][C@@H]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000093212765 398313626 /nfs/dbraw/zinc/31/36/26/398313626.db2.gz JJJTZBORJSMGGI-ZJUUUORDSA-N 1 0 235.287 2.277 10 5 BEBERO O=[N+]([O-])c1ccc(F)c([C@H]2CCC[NH2+]2)c1 ZINC000072201998 343069087 /nfs/dbraw/zinc/06/90/87/343069087.db2.gz ZXVMLTIUPKTTKT-SNVBAGLBSA-N 1 0 210.208 2.158 10 5 BEBERO CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000197045134 343640231 /nfs/dbraw/zinc/64/02/31/343640231.db2.gz JHVUJEQPVUPIEI-GFCCVEGCSA-N 1 0 234.299 2.452 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+][C@H]1C ZINC000600957389 344419328 /nfs/dbraw/zinc/41/93/28/344419328.db2.gz PKCQVOODNFJNDV-VHSXEESVSA-N 1 0 235.287 2.066 10 5 BEBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000387567902 344894098 /nfs/dbraw/zinc/89/40/98/344894098.db2.gz MAVQJNQHFRLOPU-SNVBAGLBSA-N 1 0 237.303 2.313 10 5 BEBERO Cc1ccc([N+](=O)[O-])cc1NC1CC[NH2+]CC1 ZINC000038041161 178931829 /nfs/dbraw/zinc/93/18/29/178931829.db2.gz DRDWVAARNLKNBX-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NCC[NH2+]C1CC1 ZINC000158935176 346289066 /nfs/dbraw/zinc/28/90/66/346289066.db2.gz SZCVIYOVLSFRGQ-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CCC[NH3+] ZINC000310379853 179206678 /nfs/dbraw/zinc/20/66/78/179206678.db2.gz BENPMUBRGADSFD-JTQLQIEISA-N 1 0 237.303 2.443 10 5 BEBERO [NH3+]C1(CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594692245 348099890 /nfs/dbraw/zinc/09/98/90/348099890.db2.gz QLKXMMOHXCMBER-UHFFFAOYSA-N 1 0 235.287 2.278 10 5 BEBERO C[NH2+]C[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000596032219 348427369 /nfs/dbraw/zinc/42/73/69/348427369.db2.gz JPOSICSFBYROPY-SSDOTTSWSA-N 1 0 243.694 2.268 10 5 BEBERO [NH3+][C@H]1C[C@@]12CC=C(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000725265090 538092975 /nfs/dbraw/zinc/09/29/75/538092975.db2.gz FHROCQVIAGLFGB-AAEUAGOBSA-N 1 0 245.282 2.275 10 5 BEBERO Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382420724 350739616 /nfs/dbraw/zinc/73/96/16/350739616.db2.gz JYOUGYPZGRJMFM-GHMZBOCLSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382429008 350776035 /nfs/dbraw/zinc/77/60/35/350776035.db2.gz OQRSFKJELYOJOC-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO CCCCCCC(=O)OCC[N+](C)(C)C ZINC000002033162 168646959 /nfs/dbraw/zinc/64/69/59/168646959.db2.gz XZYNWDWRUDTDCH-UHFFFAOYSA-N 1 0 216.345 2.206 10 5 endogenous,in-man BEBERO Cc1cc(Br)cc(C[NH3+])c1[N+](=O)[O-] ZINC000307190038 351589976 /nfs/dbraw/zinc/58/99/76/351589976.db2.gz WCCZZLDKTOPOKK-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO CC1(C)C[C@H]([NH3+])c2cc([N+](=O)[O-])ccc2O1 ZINC000011848991 187587197 /nfs/dbraw/zinc/58/71/97/187587197.db2.gz YICIWICNCXJAPO-VIFPVBQESA-N 1 0 222.244 2.156 10 5 BEBERO C[C@H](C[NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000420221887 192177652 /nfs/dbraw/zinc/17/76/52/192177652.db2.gz UUZPZBJJXOTHLI-SSDOTTSWSA-N 1 0 243.694 2.255 10 5 BEBERO CC[NH+](CC)Cc1ccc([N+](=O)[O-])c(N)c1 ZINC000087226162 354129609 /nfs/dbraw/zinc/12/96/09/354129609.db2.gz ZWLQYVMVYOECCD-UHFFFAOYSA-N 1 0 223.276 2.019 10 5 BEBERO Cc1cc(N2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000044559344 358550654 /nfs/dbraw/zinc/55/06/54/358550654.db2.gz YABNFWZHSQZCQT-GFCCVEGCSA-N 1 0 249.314 2.221 10 5 BEBERO Cc1ccc(NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000037116613 361677276 /nfs/dbraw/zinc/67/72/76/361677276.db2.gz DYWFCLGJQBFQMX-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO C[NH+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037403769 363996836 /nfs/dbraw/zinc/99/68/36/363996836.db2.gz INADXYCCGIFQSH-UHFFFAOYSA-N 1 0 214.652 2.310 10 5 BEBERO [NH3+][C@@H]1CCC[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000042397470 181582770 /nfs/dbraw/zinc/58/27/70/181582770.db2.gz QHHMDPSFTRUMBN-ZYHUDNBSSA-N 1 0 220.272 2.265 10 5 BEBERO [NH3+][C@@H]1CCCCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000600958479 371713660 /nfs/dbraw/zinc/71/36/60/371713660.db2.gz FYHMYNIPISYZMB-LLVKDONJSA-N 1 0 249.314 2.303 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600956329 371715060 /nfs/dbraw/zinc/71/50/60/371715060.db2.gz ZPGDGEUWSGGEFD-WDEREUQCSA-N 1 0 249.314 2.456 10 5 BEBERO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000216225964 371722896 /nfs/dbraw/zinc/72/28/96/371722896.db2.gz VPHLBWXXYMAFNT-QWRGUYRKSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1C[NH3+] ZINC000306654609 372051632 /nfs/dbraw/zinc/05/16/32/372051632.db2.gz JUYGSWFYLXSGEY-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO O=[N+]([O-])c1cccc(NCC[NH+]2CCCC2)c1 ZINC000041579295 374147431 /nfs/dbraw/zinc/14/74/31/374147431.db2.gz VVEDHFCHDSVZMA-UHFFFAOYSA-N 1 0 235.287 2.103 10 5 BEBERO C[N@@H+]1CCC[C@H]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000143783954 374250062 /nfs/dbraw/zinc/25/00/62/374250062.db2.gz NHLRAHZAVGJEGC-LBPRGKRZSA-N 1 0 249.314 2.491 10 5 BEBERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000052272257 385714209 /nfs/dbraw/zinc/71/42/09/385714209.db2.gz DEFZRTPVOWDTIY-KCJUWKMLSA-N 1 0 206.245 2.093 10 5 BEBERO C[C@@H]([NH3+])c1c(Br)cccc1[N+](=O)[O-] ZINC000238412509 386480458 /nfs/dbraw/zinc/48/04/58/386480458.db2.gz XSDCMCRUUHHQLG-RXMQYKEDSA-N 1 0 245.076 2.377 10 5 BEBERO [NH3+][C@H](CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000575437200 387104292 /nfs/dbraw/zinc/10/42/92/387104292.db2.gz AIJDDNYUKQZZIL-MRVPVSSYSA-N 1 0 216.187 2.250 10 5 BEBERO CC[N@H+](C)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000054127832 387347079 /nfs/dbraw/zinc/34/70/79/387347079.db2.gz UPAXBRJWQYJCMZ-UHFFFAOYSA-N 1 0 241.266 2.098 10 5 BEBERO Cc1cc(N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000044514618 132297975 /nfs/dbraw/zinc/29/79/75/132297975.db2.gz YCYQUTBXGNJUQQ-UHFFFAOYSA-N 1 0 249.314 2.078 10 5 BEBERO C[C@H]([NH3+])c1c(Br)cccc1[N+](=O)[O-] ZINC000238804638 135078437 /nfs/dbraw/zinc/07/84/37/135078437.db2.gz XSDCMCRUUHHQLG-YFKPBYRVSA-N 1 0 245.076 2.377 10 5 BEBERO Cc1ccc(N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261578798 135220127 /nfs/dbraw/zinc/22/01/27/135220127.db2.gz PCPLETGEEYOZLM-ZDUSSCGKSA-N 1 0 249.314 2.078 10 5 BEBERO CC1(C)CN(c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261579654 135220447 /nfs/dbraw/zinc/22/04/47/135220447.db2.gz PNRVZAFVTOWMNM-GFCCVEGCSA-N 1 0 249.314 2.158 10 5 BEBERO CC(C)[NH2+]CCOCc1cccc([N+](=O)[O-])c1 ZINC000051862921 167109537 /nfs/dbraw/zinc/10/95/37/167109537.db2.gz DXTDOKJPTYUSKG-UHFFFAOYSA-N 1 0 238.287 2.109 10 5 BEBERO CC(C)[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037186316 167116254 /nfs/dbraw/zinc/11/62/54/167116254.db2.gz KAVTWQWVCGNDDX-UHFFFAOYSA-N 1 0 230.214 2.371 10 5 BEBERO CC(C)[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000038128138 167423034 /nfs/dbraw/zinc/42/30/34/167423034.db2.gz ZMNXLFYDRPCQEN-JTQLQIEISA-N 1 0 208.261 2.121 10 5 BEBERO C[N@@H+]1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1 ZINC000029060907 173171528 /nfs/dbraw/zinc/17/15/28/173171528.db2.gz ROKNURNBPSXKMO-UHFFFAOYSA-N 1 0 240.690 2.279 10 5 BEBERO C[NH2+]CCCOc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998196 173349503 /nfs/dbraw/zinc/34/95/03/173349503.db2.gz AJJCLDDOELLHKB-UHFFFAOYSA-N 1 0 238.287 2.200 10 5 BEBERO C[NH2+]C[C@@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000133297040 173370051 /nfs/dbraw/zinc/37/00/51/173370051.db2.gz ITTZHRMFHLTQEI-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO C[NH2+]Cc1cc(Br)cc([N+](=O)[O-])c1 ZINC000083373310 173386056 /nfs/dbraw/zinc/38/60/56/173386056.db2.gz QHQFEYNPZLATAV-UHFFFAOYSA-N 1 0 245.076 2.077 10 5 BEBERO C[NH2+][C@@H](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000038001011 173415032 /nfs/dbraw/zinc/41/50/32/173415032.db2.gz FFAPUPKIBIBRIZ-VIFPVBQESA-N 1 0 208.261 2.135 10 5 BEBERO C[NH2+][C@H](C)CCc1cccc([N+](=O)[O-])c1C ZINC000038001031 173445977 /nfs/dbraw/zinc/44/59/77/173445977.db2.gz YSAACZLCMASOSY-SECBINFHSA-N 1 0 222.288 2.444 10 5 BEBERO COCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526223 174249951 /nfs/dbraw/zinc/24/99/51/174249951.db2.gz OBTUVZAIEBDQIZ-SNVBAGLBSA-N 1 0 238.287 2.282 10 5 BEBERO C[C@@H]([NH3+])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000038000963 175771476 /nfs/dbraw/zinc/77/14/76/175771476.db2.gz GJAJWPNWIGNEEN-DTWKUNHWSA-N 1 0 208.261 2.121 10 5 BEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH3+])CC1 ZINC000020521685 176019281 /nfs/dbraw/zinc/01/92/81/176019281.db2.gz NQEMWGSABGXDAC-JTQLQIEISA-N 1 0 249.314 2.079 10 5 BEBERO C[C@H]1[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc21 ZINC000223591707 177389444 /nfs/dbraw/zinc/38/94/44/177389444.db2.gz IAHYHYRUXIBBJR-JGVFFNPUSA-N 1 0 206.245 2.190 10 5 BEBERO C[C@@H]([NH3+])[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000394447700 323001678 /nfs/dbraw/zinc/00/16/78/323001678.db2.gz NJVMRWDOBVZZMW-RITPCOANSA-N 1 0 245.229 2.021 10 5 BEBERO CC[C@@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757176053 582552532 /nfs/dbraw/zinc/55/25/32/582552532.db2.gz WJUZYETTWUEGKU-WPRPVWTQSA-N 1 0 222.244 2.074 10 5 BEBERO CC(C)([NH3+])CCNc1ccc([N+](=O)[O-])cc1F ZINC000310251238 632712392 /nfs/dbraw/zinc/71/23/92/632712392.db2.gz WOWNWJXIVZQLFS-UHFFFAOYSA-N 1 0 241.266 2.273 10 5 BEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251926495 635624235 /nfs/dbraw/zinc/62/42/35/635624235.db2.gz YWCMFIJLSRUQPM-ZWNOBZJWSA-N 1 0 249.314 2.158 10 5 BEBERO C[C@H](C[C@H](C)[NH3+])Nc1cccc(F)c1[N+](=O)[O-] ZINC000320721441 636380981 /nfs/dbraw/zinc/38/09/81/636380981.db2.gz RLPKARSRYQDEPJ-JGVFFNPUSA-N 1 0 241.266 2.272 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000310864826 636680150 /nfs/dbraw/zinc/68/01/50/636680150.db2.gz LCYGJJOUCKPBMT-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000040601925 636935994 /nfs/dbraw/zinc/93/59/94/636935994.db2.gz YWUDXHXLCUEATH-LLVKDONJSA-N 1 0 249.314 2.031 10 5 BEBERO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[NH2+]C1 ZINC000086726989 644469387 /nfs/dbraw/zinc/46/93/87/644469387.db2.gz CIYBQPDDPIBLLD-QMMMGPOBSA-N 1 0 241.678 2.022 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000723802556 710731200 /nfs/dbraw/zinc/73/12/00/710731200.db2.gz VDDJOJHUTMIHAV-MNOVXSKESA-N 1 0 249.314 2.171 10 5 BEBERO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723915394 711544696 /nfs/dbraw/zinc/54/46/96/711544696.db2.gz LYFXKXCVFQICAO-GHMZBOCLSA-N 1 0 249.314 2.016 10 5 BEBERO Cc1cccc(NC[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715094096 712508164 /nfs/dbraw/zinc/50/81/64/712508164.db2.gz REMMQCXLDZNQNW-MGCOHNPYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720835402 712869407 /nfs/dbraw/zinc/86/94/07/712869407.db2.gz OJRWFJCCTRNPAQ-NSHDSACASA-N 1 0 249.314 2.077 10 5 BEBERO Cc1nc2cc(C)ccn2c1C[N+](C)(C)C ZINC000071670997 717133237 /nfs/dbraw/zinc/13/32/37/717133237.db2.gz JIWJIGRSHLPNFH-UHFFFAOYSA-N 1 0 218.324 2.157 10 5 BEBERO CCCc1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000194440628 717157651 /nfs/dbraw/zinc/15/76/51/717157651.db2.gz SAIIDWMWQBOSDD-UHFFFAOYSA-N 1 0 245.390 2.285 10 5 BEBERO Cc1cc(NC2CC[NH2+]CC2)c([N+](=O)[O-])cc1C ZINC000050439669 178154748 /nfs/dbraw/zinc/15/47/48/178154748.db2.gz GEUSJKUOSWOSPD-UHFFFAOYSA-N 1 0 249.314 2.376 10 5 BEBERO Cc1cc(NCC[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336711726 178161654 /nfs/dbraw/zinc/16/16/54/178161654.db2.gz NNXPFCBWKVIRMM-MRVPVSSYSA-N 1 0 241.266 2.192 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1[C@@H]1CCC[NH2+]1 ZINC000044747728 178274175 /nfs/dbraw/zinc/27/41/75/178274175.db2.gz YTACBHGDLXZJIE-NSHDSACASA-N 1 0 206.245 2.328 10 5 BEBERO O=[N+]([O-])c1ccccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042372288 361987523 /nfs/dbraw/zinc/98/75/23/361987523.db2.gz REXWRVZQFBMWSS-ZACCUICWSA-N 1 0 247.298 2.290 10 5 BEBERO O=[N+]([O-])c1cc([C@H]2CCC[NH2+]2)ccc1F ZINC000072202000 343069239 /nfs/dbraw/zinc/06/92/39/343069239.db2.gz OHROAQNVAJLFJV-SECBINFHSA-N 1 0 210.208 2.158 10 5 BEBERO CC(C)[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000038128885 187254707 /nfs/dbraw/zinc/25/47/07/187254707.db2.gz LHUMIBRUUDYDDO-LLVKDONJSA-N 1 0 208.261 2.121 10 5 BEBERO C[C@@H]([NH3+])[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000381530747 344518093 /nfs/dbraw/zinc/51/80/93/344518093.db2.gz AMNHYMYQRQTALP-RQJHMYQMSA-N 1 0 243.694 2.396 10 5 BEBERO C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381530745 344518135 /nfs/dbraw/zinc/51/81/35/344518135.db2.gz AMNHYMYQRQTALP-NKWVEPMBSA-N 1 0 243.694 2.396 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493450 345095695 /nfs/dbraw/zinc/09/56/95/345095695.db2.gz GMSAATALXFAOGP-NSHDSACASA-N 1 0 249.314 2.457 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]([NH3+])C(C)C ZINC000070447864 345717150 /nfs/dbraw/zinc/71/71/50/345717150.db2.gz SXSCMJDRNVAUOX-NSHDSACASA-N 1 0 237.303 2.298 10 5 BEBERO Cc1cccc(NC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000235931139 346172554 /nfs/dbraw/zinc/17/25/54/346172554.db2.gz ULXVKQISVMVYJH-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO Cc1cccc(NCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000235934211 346172599 /nfs/dbraw/zinc/17/25/99/346172599.db2.gz PCOFIMWMOPZWDF-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH2+]CC1 ZINC000158932452 346277686 /nfs/dbraw/zinc/27/76/86/346277686.db2.gz WZDPMEYVAJDZFO-UHFFFAOYSA-N 1 0 249.314 2.315 10 5 BEBERO Cc1cccc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000003160081 179234077 /nfs/dbraw/zinc/23/40/77/179234077.db2.gz PYFYHEGDBBUUFM-UHFFFAOYSA-N 1 0 229.259 2.239 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)[NH3+])c1 ZINC000594692900 348100240 /nfs/dbraw/zinc/10/02/40/348100240.db2.gz FKCVSITZIMECHZ-UHFFFAOYSA-N 1 0 237.303 2.077 10 5 BEBERO C[NH2+]C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000596033266 348428020 /nfs/dbraw/zinc/42/80/20/348428020.db2.gz SJWWXYMWUZDNQG-MRVPVSSYSA-N 1 0 241.266 2.062 10 5 BEBERO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000386323536 362966918 /nfs/dbraw/zinc/96/69/18/362966918.db2.gz IUOSJCFNIZGPJU-ZWNOBZJWSA-N 1 0 249.314 2.016 10 5 BEBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382407472 350599578 /nfs/dbraw/zinc/59/95/78/350599578.db2.gz BXHRFDCTZGODFC-GXSJLCMTSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382436852 350776241 /nfs/dbraw/zinc/77/62/41/350776241.db2.gz WJXUWKFDEMFPSI-WDEREUQCSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382435365 350776391 /nfs/dbraw/zinc/77/63/91/350776391.db2.gz VGADIUYNDQYUTC-PWSUYJOCSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@H]1C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000052278727 350975146 /nfs/dbraw/zinc/97/51/46/350975146.db2.gz VKWDSZVTDIMIGN-CABZTGNLSA-N 1 0 220.272 2.135 10 5 BEBERO Cc1ccc(C[NH3+])c(Cl)c1[N+](=O)[O-] ZINC000306836755 351147675 /nfs/dbraw/zinc/14/76/75/351147675.db2.gz UILBFVQUMCFMBK-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc([N+](=O)[O-])cc(Br)c1C[NH3+] ZINC000307378746 352477221 /nfs/dbraw/zinc/47/72/21/352477221.db2.gz DLOWCUGCHPZOOH-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1c(Br)cc([N+](=O)[O-])cc1C[NH3+] ZINC000307537236 352641991 /nfs/dbraw/zinc/64/19/91/352641991.db2.gz UMNIERZWYOEFHY-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO [NH3+]Cc1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000307520913 352635368 /nfs/dbraw/zinc/63/53/68/352635368.db2.gz YNAGOIQAXXIUPC-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1c(C[NH3+])ccc(Br)c1[N+](=O)[O-] ZINC000306754031 353037229 /nfs/dbraw/zinc/03/72/29/353037229.db2.gz PERGVZKGXVWHSV-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000389729556 357090751 /nfs/dbraw/zinc/09/07/51/357090751.db2.gz OKLGVPROAFTGTP-SKDRFNHKSA-N 1 0 249.314 2.313 10 5 BEBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000389737427 357100436 /nfs/dbraw/zinc/10/04/36/357100436.db2.gz VXEMHYZBCSBBLM-KOLCDFICSA-N 1 0 235.287 2.005 10 5 BEBERO [NH3+]Cc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000306523071 360359753 /nfs/dbraw/zinc/35/97/53/360359753.db2.gz RFPLPXSSPWWAMO-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO [NH3+][C@@H](CF)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000238572824 361155438 /nfs/dbraw/zinc/15/54/38/361155438.db2.gz MISNRFXXAJWXLJ-ZETCQYMHSA-N 1 0 218.615 2.218 10 5 BEBERO COC(=O)c1ccc(C[N@+]2(C)N=C(C)C=C2C)o1 ZINC000239439026 361586385 /nfs/dbraw/zinc/58/63/85/361586385.db2.gz ZIULQPNWGARUHK-HNNXBMFYSA-N 1 0 249.290 2.306 10 5 BEBERO O=[N+]([O-])c1ccc(F)cc1[C@H]1CCC[NH2+]1 ZINC000037669232 364457057 /nfs/dbraw/zinc/45/70/57/364457057.db2.gz IGAIUYFQILMFGD-SECBINFHSA-N 1 0 210.208 2.158 10 5 BEBERO O=[N+]([O-])[C@]1(c2ccccc2)CC[C@@H]2CCC[N@@H+]2C1 ZINC000114691994 368947676 /nfs/dbraw/zinc/94/76/76/368947676.db2.gz DDXFLZNPVAJFQN-UONOGXRCSA-N 1 0 246.310 2.417 10 5 BEBERO C[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131327857 371588016 /nfs/dbraw/zinc/58/80/16/371588016.db2.gz DHRYQFLLFOFMMC-VHSXEESVSA-N 1 0 236.271 2.034 10 5 BEBERO Cc1ccc(N[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000600957831 371714982 /nfs/dbraw/zinc/71/49/82/371714982.db2.gz UVWNLUAAIKEBOY-VHSXEESVSA-N 1 0 235.287 2.066 10 5 BEBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000040503226 373356569 /nfs/dbraw/zinc/35/65/69/373356569.db2.gz WAZNWUKTMMMMRG-GFCCVEGCSA-N 1 0 249.314 2.491 10 5 BEBERO O=[N+]([O-])c1ccccc1C1CC[NH2+]CC1 ZINC000071623968 182949006 /nfs/dbraw/zinc/94/90/06/182949006.db2.gz BBZXWVATPPDPTD-UHFFFAOYSA-N 1 0 206.245 2.062 10 5 BEBERO Cc1ccc(N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000310460485 384173342 /nfs/dbraw/zinc/17/33/42/384173342.db2.gz VQCUWHQHAANKNV-JTQLQIEISA-N 1 0 237.303 2.443 10 5 BEBERO C[C@@H](C[NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336650189 384245813 /nfs/dbraw/zinc/24/58/13/384245813.db2.gz DQDDZNNHMHIDEP-ZETCQYMHSA-N 1 0 243.694 2.255 10 5 BEBERO CC(C)[C@@H]([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000336715532 384255612 /nfs/dbraw/zinc/25/56/12/384255612.db2.gz SPAYINCHJUPJRG-VIFPVBQESA-N 1 0 241.266 2.129 10 5 BEBERO Cc1ccc(N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000309221813 384469785 /nfs/dbraw/zinc/46/97/85/384469785.db2.gz GWLVUKCVLAUUHV-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000336681153 385636813 /nfs/dbraw/zinc/63/68/13/385636813.db2.gz DPJYNYIMVVNUEL-MRVPVSSYSA-N 1 0 241.266 2.273 10 5 BEBERO [NH3+][C@H](CC(F)F)c1cc([N+](=O)[O-])ccc1F ZINC000575437511 387109488 /nfs/dbraw/zinc/10/94/88/387109488.db2.gz HYKKSOBTGPEOJK-MRVPVSSYSA-N 1 0 234.177 2.389 10 5 BEBERO [NH3+][C@@H](CCF)c1ccc(F)c([N+](=O)[O-])c1 ZINC000575439605 387123957 /nfs/dbraw/zinc/12/39/57/387123957.db2.gz VDBHZAJYQAMCTO-QMMMGPOBSA-N 1 0 216.187 2.093 10 5 BEBERO C[C@@H]([NH3+])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000066352322 388681742 /nfs/dbraw/zinc/68/17/42/388681742.db2.gz UGEHGFKWQXRLNP-RXMQYKEDSA-N 1 0 200.625 2.268 10 5 BEBERO COC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525958 388774747 /nfs/dbraw/zinc/77/47/47/388774747.db2.gz UPNFPCHUOHIMSO-NXEZZACHSA-N 1 0 238.287 2.280 10 5 BEBERO C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178443 132230487 /nfs/dbraw/zinc/23/04/87/132230487.db2.gz HKSAZBVRARNSIK-ZWNOBZJWSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000094342738 132238981 /nfs/dbraw/zinc/23/89/81/132238981.db2.gz UCQLXUAOQQVRDQ-MNOVXSKESA-N 1 0 249.314 2.077 10 5 BEBERO CC(C)CN1C[C@@H]([NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000019795901 166978096 /nfs/dbraw/zinc/97/80/96/166978096.db2.gz OAFQISNCMKTSIW-LLVKDONJSA-N 1 0 235.287 2.071 10 5 BEBERO CC(C)[NH2+]CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000054267637 167106312 /nfs/dbraw/zinc/10/63/12/167106312.db2.gz QZWDZDRZNXZWII-UHFFFAOYSA-N 1 0 241.266 2.144 10 5 BEBERO CC[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000328175188 170014307 /nfs/dbraw/zinc/01/43/07/170014307.db2.gz KZXFJBUKLZXAQI-SNVBAGLBSA-N 1 0 235.287 2.101 10 5 BEBERO CC[NH2+]CCCOc1cccc(C)c1[N+](=O)[O-] ZINC000035283753 170112615 /nfs/dbraw/zinc/11/26/15/170112615.db2.gz LLAIRWYVLXDUQE-UHFFFAOYSA-N 1 0 238.287 2.282 10 5 BEBERO CC[NH2+]CCCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000038043513 170113083 /nfs/dbraw/zinc/11/30/83/170113083.db2.gz QCULGSQYEPKNAS-UHFFFAOYSA-N 1 0 241.266 2.145 10 5 BEBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368044 170125242 /nfs/dbraw/zinc/12/52/42/170125242.db2.gz JRJPYCISSBFEGA-UHFFFAOYSA-N 1 0 214.652 2.358 10 5 BEBERO CC[NH2+]Cc1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000034660351 170127860 /nfs/dbraw/zinc/12/78/60/170127860.db2.gz LUJMMKMYHHSROX-UHFFFAOYSA-N 1 0 246.213 2.306 10 5 BEBERO C[C@@H](CCC[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000336730922 175666154 /nfs/dbraw/zinc/66/61/54/175666154.db2.gz YKPVJFUITAXSRR-QMMMGPOBSA-N 1 0 241.266 2.273 10 5 BEBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000336662934 175666475 /nfs/dbraw/zinc/66/64/75/175666475.db2.gz OVMKSNHXKPQBFO-VIFPVBQESA-N 1 0 223.276 2.134 10 5 BEBERO C[C@@H](CC[NH+](C)C)Nc1cccc([N+](=O)[O-])c1 ZINC000049558591 175671733 /nfs/dbraw/zinc/67/17/33/175671733.db2.gz OLFLZNIBKCAVMK-JTQLQIEISA-N 1 0 237.303 2.347 10 5 BEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH3+])CC1 ZINC000020521684 177037981 /nfs/dbraw/zinc/03/79/81/177037981.db2.gz NQEMWGSABGXDAC-SNVBAGLBSA-N 1 0 249.314 2.079 10 5 BEBERO C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000052272276 177349702 /nfs/dbraw/zinc/34/97/02/177349702.db2.gz LXPFYLKSGBIRHM-WPRPVWTQSA-N 1 0 206.245 2.093 10 5 BEBERO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000052272279 177385362 /nfs/dbraw/zinc/38/53/62/177385362.db2.gz LXPFYLKSGBIRHM-WCBMZHEXSA-N 1 0 206.245 2.093 10 5 BEBERO Cc1c(NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000062724510 177620584 /nfs/dbraw/zinc/62/05/84/177620584.db2.gz YGPBHXLTDIGEPH-SNVBAGLBSA-N 1 0 235.287 2.067 10 5 BEBERO Cc1cccc(N[C@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320374219 323563095 /nfs/dbraw/zinc/56/30/95/323563095.db2.gz RECMVVJQXJRMCG-VHSXEESVSA-N 1 0 237.303 2.441 10 5 BEBERO C[NH2+][C@H]1CCCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000053204894 536415300 /nfs/dbraw/zinc/41/53/00/536415300.db2.gz WCTGVXAPDPMACI-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000053204714 536415505 /nfs/dbraw/zinc/41/55/05/536415505.db2.gz NOQJMVHRHUEECZ-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110920513 588712638 /nfs/dbraw/zinc/71/26/38/588712638.db2.gz WHMTXOKRHKMFKJ-JTQLQIEISA-N 1 0 249.314 2.158 10 5 BEBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000300086962 592502433 /nfs/dbraw/zinc/50/24/33/592502433.db2.gz JRWANUJMZMTFEK-MFKMUULPSA-N 1 0 249.314 2.158 10 5 BEBERO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000309398046 633907551 /nfs/dbraw/zinc/90/75/51/633907551.db2.gz GYKNFQPINLLOIX-SSDOTTSWSA-N 1 0 246.669 2.406 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[NH3+])CC1 ZINC000044514694 640398559 /nfs/dbraw/zinc/39/85/59/640398559.db2.gz YDDAJNFZJDCMGO-UHFFFAOYSA-N 1 0 249.314 2.078 10 5 BEBERO CCN(c1ccc(C)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071314434 643124673 /nfs/dbraw/zinc/12/46/73/643124673.db2.gz XHEKWJLOKBODPQ-LLVKDONJSA-N 1 0 249.314 2.091 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](CC[NH3+])C1 ZINC000723672461 711533375 /nfs/dbraw/zinc/53/33/75/711533375.db2.gz NYMOAMIISKOCAJ-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cc(N2CC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000723674862 711533467 /nfs/dbraw/zinc/53/34/67/711533467.db2.gz CNSPTSOJMBWAEW-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO CC1(C)C[NH2+]C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000721863209 711791919 /nfs/dbraw/zinc/79/19/19/711791919.db2.gz IJYUHUXNPVWOEB-LLVKDONJSA-N 1 0 235.287 2.005 10 5 BEBERO CCC1([NH3+])CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000714752702 712497075 /nfs/dbraw/zinc/49/70/75/712497075.db2.gz NDXJXTMZEOTGED-UHFFFAOYSA-N 1 0 249.314 2.303 10 5 BEBERO Cc1cc(NC[C@H]2C[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715073523 712506072 /nfs/dbraw/zinc/50/60/72/712506072.db2.gz PWDLDBUESWNMJD-AOOOYVTPSA-N 1 0 235.287 2.052 10 5 BEBERO C[N+](C)(C)C[C@@H]1CCc2ccccc2C1=O ZINC000006482972 717104252 /nfs/dbraw/zinc/10/42/52/717104252.db2.gz DOJYORDDXXPGEI-LBPRGKRZSA-N 1 0 218.320 2.138 10 5 BEBERO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127299217 178117044 /nfs/dbraw/zinc/11/70/44/178117044.db2.gz WSPLGZAUJCXWHK-GHMZBOCLSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000228082732 398322184 /nfs/dbraw/zinc/32/21/84/398322184.db2.gz VPHLBWXXYMAFNT-GHMZBOCLSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cccc(N[C@@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381538456 344519362 /nfs/dbraw/zinc/51/93/62/344519362.db2.gz CKWXRAAXJYUOHS-BDAKNGLRSA-N 1 0 223.276 2.051 10 5 BEBERO O=[N+]([O-])c1ccccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493057 345096084 /nfs/dbraw/zinc/09/60/84/345096084.db2.gz WTCIHNNVPODNAU-JTQLQIEISA-N 1 0 235.287 2.149 10 5 BEBERO Cc1cccc(N[C@@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336666738 179153678 /nfs/dbraw/zinc/15/36/78/179153678.db2.gz QCZPYPLKCULYQE-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cccc(OCC[NH2+]C2CC2)c1[N+](=O)[O-] ZINC000035283757 179167595 /nfs/dbraw/zinc/16/75/95/179167595.db2.gz WYNZCXOGTLMGCP-UHFFFAOYSA-N 1 0 236.271 2.034 10 5 BEBERO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000594692285 348099913 /nfs/dbraw/zinc/09/99/13/348099913.db2.gz UMORSXLFLRMRTP-UHFFFAOYSA-N 1 0 235.287 2.278 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382429005 350776477 /nfs/dbraw/zinc/77/64/77/350776477.db2.gz OQRSFKJELYOJOC-GHMZBOCLSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@@H]1C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000052278725 350975414 /nfs/dbraw/zinc/97/54/14/350975414.db2.gz VKWDSZVTDIMIGN-SKDRFNHKSA-N 1 0 220.272 2.135 10 5 BEBERO Cc1cc(Cl)c(C[NH3+])c([N+](=O)[O-])c1 ZINC000306839378 351148843 /nfs/dbraw/zinc/14/88/43/351148843.db2.gz ZAONDGHVQAWIQZ-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH3+] ZINC000063171625 351269332 /nfs/dbraw/zinc/26/93/32/351269332.db2.gz CDHYDRJVAPWJAU-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cc(C[NH3+])cc([N+](=O)[O-])c1Br ZINC000307048753 351447212 /nfs/dbraw/zinc/44/72/12/351447212.db2.gz JVEDSQBFYOMRGH-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO C[C@@H]([NH3+])C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000320638851 323576411 /nfs/dbraw/zinc/57/64/11/323576411.db2.gz DFSGFZOGOKIAHY-SFYZADRCSA-N 1 0 241.266 2.272 10 5 BEBERO Cc1cc(C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000307277028 351832291 /nfs/dbraw/zinc/83/22/91/351832291.db2.gz YYPYSYDFCHBGRF-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1ccc(Cl)c([N+](=O)[O-])c1C[NH3+] ZINC000307447525 352603077 /nfs/dbraw/zinc/60/30/77/352603077.db2.gz JJMDVIFNYCHJAG-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cccc(NC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000232721009 353272245 /nfs/dbraw/zinc/27/22/45/353272245.db2.gz RQHNZKYGGBUUKA-SNVBAGLBSA-N 1 0 237.303 2.298 10 5 BEBERO C[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000035014568 188284973 /nfs/dbraw/zinc/28/49/73/188284973.db2.gz KYWIKOHQDQRWEJ-UHFFFAOYSA-N 1 0 245.076 2.077 10 5 BEBERO CC1(C)[C@H](c2csc([N+](=O)[O-])c2)[C@@H]1[NH3+] ZINC000300986481 363259282 /nfs/dbraw/zinc/25/92/82/363259282.db2.gz LDQFFLGMCILPLB-SFYZADRCSA-N 1 0 212.274 2.107 10 5 BEBERO C[C@H]1Cc2ccc([N+](=O)[O-])cc2[C@H]([NH3+])C1 ZINC000675078230 538515667 /nfs/dbraw/zinc/51/56/67/538515667.db2.gz NZRAWSUOMHMQNK-WRWORJQWSA-N 1 0 206.245 2.177 10 5 BEBERO Cc1ccc(N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000389732915 357089264 /nfs/dbraw/zinc/08/92/64/357089264.db2.gz RQYJQIKAWDKTDU-JQWIXIFHSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000389735786 357090909 /nfs/dbraw/zinc/09/09/09/357090909.db2.gz UVNXASQSBKDFJW-CMPLNLGQSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000389735795 357091045 /nfs/dbraw/zinc/09/10/45/357091045.db2.gz UVNXASQSBKDFJW-PWSUYJOCSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000389735801 357091903 /nfs/dbraw/zinc/09/19/03/357091903.db2.gz UVNXASQSBKDFJW-ZYHUDNBSSA-N 1 0 249.314 2.313 10 5 BEBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000389737428 357100470 /nfs/dbraw/zinc/10/04/70/357100470.db2.gz VXEMHYZBCSBBLM-MWLCHTKSSA-N 1 0 235.287 2.005 10 5 BEBERO Cc1cc([N+](=O)[O-])c(C[NH3+])cc1Br ZINC000306598913 360519331 /nfs/dbraw/zinc/51/93/31/360519331.db2.gz GURZUISPJJKGKP-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000238667074 361175068 /nfs/dbraw/zinc/17/50/68/361175068.db2.gz IOKCHDDPTSRRMR-UHFFFAOYSA-N 1 0 220.150 2.072 10 5 BEBERO [NH3+]C1(c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000095938190 181333745 /nfs/dbraw/zinc/33/37/45/181333745.db2.gz GKDYGZDTYBFEGW-UHFFFAOYSA-N 1 0 212.636 2.196 10 5 BEBERO Cc1cc(C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000222215972 368363323 /nfs/dbraw/zinc/36/33/23/368363323.db2.gz VNXKOTMUBKQBSP-UHFFFAOYSA-N 1 0 220.272 2.499 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]([NH3+])C(C)C)c1 ZINC000094663360 369495991 /nfs/dbraw/zinc/49/59/91/369495991.db2.gz VJRKBFYAWWTCQP-SNVBAGLBSA-N 1 0 237.303 2.298 10 5 BEBERO [NH3+][C@H]1CCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000063176615 181648149 /nfs/dbraw/zinc/64/81/49/181648149.db2.gz UJHAZKSIBYOUFA-DTWKUNHWSA-N 1 0 239.250 2.026 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000600956328 371714632 /nfs/dbraw/zinc/71/46/32/371714632.db2.gz ZPGDGEUWSGGEFD-QWRGUYRKSA-N 1 0 249.314 2.456 10 5 BEBERO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000133305524 372020203 /nfs/dbraw/zinc/02/02/03/372020203.db2.gz QUMKMGSBTJEQPZ-LBPRGKRZSA-N 1 0 249.314 2.091 10 5 BEBERO C[NH+]1CCC(c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000040434168 373262628 /nfs/dbraw/zinc/26/26/28/373262628.db2.gz PZZDQXROWDXYTA-UHFFFAOYSA-N 1 0 236.271 2.110 10 5 BEBERO CCCCNc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000098124800 168878963 /nfs/dbraw/zinc/87/89/63/168878963.db2.gz ONKQPKBTXZVOOV-UHFFFAOYSA-N 1 0 223.276 2.266 10 5 BEBERO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813197 169080567 /nfs/dbraw/zinc/08/05/67/169080567.db2.gz UDOIAGGZKSZIHB-UHFFFAOYSA-N 1 0 237.303 2.478 10 5 BEBERO CCC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308161 169265946 /nfs/dbraw/zinc/26/59/46/169265946.db2.gz WAMXYXYELYDHRP-UHFFFAOYSA-N 1 0 212.224 2.234 10 5 BEBERO CCC[NH2+]Cc1ccc(OCC)c([N+](=O)[O-])c1 ZINC000034660398 169267817 /nfs/dbraw/zinc/26/78/17/169267817.db2.gz GMYATESRLVZRQK-UHFFFAOYSA-N 1 0 238.287 2.493 10 5 BEBERO CCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC ZINC000035414704 169322366 /nfs/dbraw/zinc/32/23/66/169322366.db2.gz WWQAPXMBRXXOOO-UHFFFAOYSA-N 1 0 238.287 2.493 10 5 BEBERO C[C@H](CCC[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000336730921 384258168 /nfs/dbraw/zinc/25/81/68/384258168.db2.gz YKPVJFUITAXSRR-MRVPVSSYSA-N 1 0 241.266 2.273 10 5 BEBERO [NH3+]Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000044250245 384542480 /nfs/dbraw/zinc/54/24/80/384542480.db2.gz MGZXRBSZAAVYKL-UHFFFAOYSA-N 1 0 220.150 2.072 10 5 BEBERO Cc1cccc(N[C@@H](C)C[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320374218 384686319 /nfs/dbraw/zinc/68/63/19/384686319.db2.gz RECMVVJQXJRMCG-UWVGGRQHSA-N 1 0 237.303 2.441 10 5 BEBERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000052272274 385715689 /nfs/dbraw/zinc/71/56/89/385715689.db2.gz LXPFYLKSGBIRHM-SCZZXKLOSA-N 1 0 206.245 2.093 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000575437439 387107693 /nfs/dbraw/zinc/10/76/93/387107693.db2.gz FBUJGBGVFVWXRO-ZETCQYMHSA-N 1 0 234.177 2.389 10 5 BEBERO [NH3+][C@H](CC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000575437813 387110454 /nfs/dbraw/zinc/11/04/54/387110454.db2.gz VJSCUISSDGXZFZ-SSDOTTSWSA-N 1 0 234.177 2.389 10 5 BEBERO [NH3+][C@H](CCF)c1ccc(F)cc1[N+](=O)[O-] ZINC000575439145 387121964 /nfs/dbraw/zinc/12/19/64/387121964.db2.gz PZQBRAPNHFZQLV-MRVPVSSYSA-N 1 0 216.187 2.093 10 5 BEBERO C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178444 132230480 /nfs/dbraw/zinc/23/04/80/132230480.db2.gz HKSAZBVRARNSIK-GXFFZTMASA-N 1 0 249.314 2.158 10 5 BEBERO CC[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000328175187 170022607 /nfs/dbraw/zinc/02/26/07/170022607.db2.gz KZXFJBUKLZXAQI-JTQLQIEISA-N 1 0 235.287 2.101 10 5 BEBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000038043391 170112395 /nfs/dbraw/zinc/11/23/95/170112395.db2.gz LEBNNEOISHPVIK-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1F ZINC000038043426 170113043 /nfs/dbraw/zinc/11/30/43/170113043.db2.gz XNLTYAZXAGAGJP-UHFFFAOYSA-N 1 0 241.266 2.145 10 5 BEBERO CC[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000038043477 170113086 /nfs/dbraw/zinc/11/30/86/170113086.db2.gz SLXLCKCKKAIYGZ-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO CC[NH2+]Cc1cnc(-c2ccccc2[N+](=O)[O-])[nH]1 ZINC000062821018 170124737 /nfs/dbraw/zinc/12/47/37/170124737.db2.gz KNCFZHBGEYPTFB-UHFFFAOYSA-N 1 0 246.270 2.094 10 5 BEBERO C[NH2+]CCCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050441959 173349902 /nfs/dbraw/zinc/34/99/02/173349902.db2.gz ABVGELHPNIPQGK-UHFFFAOYSA-N 1 0 238.287 2.200 10 5 BEBERO C[NH2+]Cc1ccc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000036765194 173389015 /nfs/dbraw/zinc/38/90/15/173389015.db2.gz KRAYDGCATZZIKS-UHFFFAOYSA-N 1 0 236.271 2.103 10 5 BEBERO COCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526222 174249125 /nfs/dbraw/zinc/24/91/25/174249125.db2.gz OBTUVZAIEBDQIZ-JTQLQIEISA-N 1 0 238.287 2.282 10 5 BEBERO COc1ccc(C[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000037947523 175115827 /nfs/dbraw/zinc/11/58/27/175115827.db2.gz MAAAEOZWKNSJMJ-RKDXNWHRSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000052272259 177350404 /nfs/dbraw/zinc/35/04/04/177350404.db2.gz DEFZRTPVOWDTIY-KWQFWETISA-N 1 0 206.245 2.093 10 5 BEBERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052278680 177350430 /nfs/dbraw/zinc/35/04/30/177350430.db2.gz VEGISBHSGYZWGJ-XVKPBYJWSA-N 1 0 224.235 2.232 10 5 BEBERO C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000082576198 325543171 /nfs/dbraw/zinc/54/31/71/325543171.db2.gz XSJBDONDVZYQGI-LURJTMIESA-N 1 0 229.667 2.007 10 5 BEBERO C[NH2+][C@H](C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261582755 536404417 /nfs/dbraw/zinc/40/44/17/536404417.db2.gz OQMPANLXCKBIQV-SSDOTTSWSA-N 1 0 243.694 2.268 10 5 BEBERO CC[C@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757175548 586433166 /nfs/dbraw/zinc/43/31/66/586433166.db2.gz AOGQOXWLBYYVRD-ZJUUUORDSA-N 1 0 222.244 2.074 10 5 BEBERO CCN(CC[NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000165933300 633103061 /nfs/dbraw/zinc/10/30/61/633103061.db2.gz PZQSKDDADABFEQ-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO CCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1Cl ZINC000165929544 640598535 /nfs/dbraw/zinc/59/85/35/640598535.db2.gz DXQBKMCDSRNEDZ-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO CN(CCC[NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000228430184 640873918 /nfs/dbraw/zinc/87/39/18/640873918.db2.gz QCLOTBMWEJKMOW-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO C[C@@H]([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429437 640874154 /nfs/dbraw/zinc/87/41/54/640874154.db2.gz ZRUMBPCANGMTQC-ZCFIWIBFSA-N 1 0 229.667 2.007 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCC1CC([NH3+])C1 ZINC000715092295 712507843 /nfs/dbraw/zinc/50/78/43/712507843.db2.gz DRQYDLOHWCZLBB-UHFFFAOYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720838367 712869286 /nfs/dbraw/zinc/86/92/86/712869286.db2.gz XUWUKQILSMGSCK-GFCCVEGCSA-N 1 0 249.314 2.077 10 5 BEBERO C[N+](C)(C)Cc1cccc(C(F)(F)F)c1N ZINC000142009256 717152455 /nfs/dbraw/zinc/15/24/55/717152455.db2.gz OBCHLOSJLPGBHM-UHFFFAOYSA-N 1 0 233.257 2.494 10 5 BEBERO Cc1cccc(C)c1OCC[N+](C)(C)C ZINC000002031507 717093568 /nfs/dbraw/zinc/09/35/68/717093568.db2.gz RXYWAURTGUPANZ-UHFFFAOYSA-N 1 0 208.325 2.388 10 5 BEBERO Cc1cccc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600955307 398198555 /nfs/dbraw/zinc/19/85/55/398198555.db2.gz MBBMWDHUXZEPPF-WDEREUQCSA-N 1 0 249.314 2.456 10 5 BEBERO Cc1cc(N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000310258601 178185181 /nfs/dbraw/zinc/18/51/81/178185181.db2.gz HFFCNBPIMNPOTA-SNVBAGLBSA-N 1 0 237.303 2.443 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000266951175 178271787 /nfs/dbraw/zinc/27/17/87/178271787.db2.gz FEJBUJIWBJNZFR-GFCCVEGCSA-N 1 0 249.314 2.044 10 5 BEBERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320127350 342732529 /nfs/dbraw/zinc/73/25/29/342732529.db2.gz QKDWVBDAHQVTBN-VHSXEESVSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[C@H](C)[NH3+] ZINC000320430030 342733750 /nfs/dbraw/zinc/73/37/50/342733750.db2.gz YUKCYTLAOXZGAV-UWVGGRQHSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[C@H](C)[NH3+] ZINC000320430033 342733804 /nfs/dbraw/zinc/73/38/04/342733804.db2.gz YUKCYTLAOXZGAV-VHSXEESVSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1ccc(NCCC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000404630934 398293328 /nfs/dbraw/zinc/29/33/28/398293328.db2.gz GDULNAZMXLVOGU-UHFFFAOYSA-N 1 0 249.314 2.444 10 5 BEBERO Cc1cccc(NCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000235933028 343067398 /nfs/dbraw/zinc/06/73/98/343067398.db2.gz WTWMFURJYLTQPE-UHFFFAOYSA-N 1 0 249.314 2.315 10 5 BEBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000082584633 133502885 /nfs/dbraw/zinc/50/28/85/133502885.db2.gz ANQIHMIOQQKZKY-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO CC[C@H]([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000084718402 344463604 /nfs/dbraw/zinc/46/36/04/344463604.db2.gz RJYKSDOAANZOHP-QMMMGPOBSA-N 1 0 243.694 2.397 10 5 BEBERO CC[NH2+][C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000387576127 344943281 /nfs/dbraw/zinc/94/32/81/344943281.db2.gz OKEQOZAEFIHPBO-MRVPVSSYSA-N 1 0 241.266 2.144 10 5 BEBERO Cc1cccc(OCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000035283760 179167630 /nfs/dbraw/zinc/16/76/30/179167630.db2.gz NYUMULBRMMZWJG-UHFFFAOYSA-N 1 0 238.287 2.280 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1[C@H]1CCC[NH2+]1 ZINC000026513717 179206749 /nfs/dbraw/zinc/20/67/49/179206749.db2.gz LFKFKRDFBKVMIZ-SECBINFHSA-N 1 0 206.245 2.328 10 5 BEBERO Cc1[nH+]c2ccc([N+](=O)[O-])cc2c(N)c1C ZINC000039109831 180100692 /nfs/dbraw/zinc/10/06/92/180100692.db2.gz GSUZGXOLOBKVQT-UHFFFAOYSA-N 1 0 217.228 2.342 10 5 BEBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000382416082 350600445 /nfs/dbraw/zinc/60/04/45/350600445.db2.gz HLNVDELINXFJGJ-ZJUUUORDSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1cc(NC[C@@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000420207397 192174691 /nfs/dbraw/zinc/17/46/91/192174691.db2.gz ABGBDXCSUGCEEH-ZETCQYMHSA-N 1 0 241.266 2.049 10 5 BEBERO [NH3+][C@H]1CN(C2CCCC2)c2ccc([N+](=O)[O-])cc21 ZINC000019795918 352750718 /nfs/dbraw/zinc/75/07/18/352750718.db2.gz RJTDKWRNUOEIQS-LBPRGKRZSA-N 1 0 247.298 2.357 10 5 BEBERO CCn1cc[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000052942784 353136870 /nfs/dbraw/zinc/13/68/70/353136870.db2.gz MUJSBAVMZHQHBB-UHFFFAOYSA-N 1 0 246.270 2.423 10 5 BEBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000389737426 357022577 /nfs/dbraw/zinc/02/25/77/357022577.db2.gz VXEMHYZBCSBBLM-GXSJLCMTSA-N 1 0 235.287 2.005 10 5 BEBERO CC(C)n1cc[n+](-c2ccccc2[N+](=O)[O-])c1 ZINC000584632353 358314775 /nfs/dbraw/zinc/31/47/75/358314775.db2.gz VHKDBTBNMMNPTF-UHFFFAOYSA-N 1 0 232.263 2.254 10 5 BEBERO [NH3+]CCCSCc1ccc([N+](=O)[O-])cc1 ZINC000058250270 181384932 /nfs/dbraw/zinc/38/49/32/181384932.db2.gz VDGWLFSMDXRUJN-UHFFFAOYSA-N 1 0 226.301 2.177 10 5 BEBERO [NH3+]CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003708174 181413675 /nfs/dbraw/zinc/41/36/75/181413675.db2.gz ICPMIWPSPVEYCM-UHFFFAOYSA-N 1 0 249.295 2.220 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC000094663255 369864959 /nfs/dbraw/zinc/86/49/59/369864959.db2.gz YFWQFMMFYQMMAS-NSHDSACASA-N 1 0 249.314 2.457 10 5 BEBERO CC[C@H]([NH3+])CNc1ccc(C)cc1[N+](=O)[O-] ZINC000082579328 371011012 /nfs/dbraw/zinc/01/10/12/371011012.db2.gz MBVFJSUIVSPDOY-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO COC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525959 371288885 /nfs/dbraw/zinc/28/88/85/371288885.db2.gz UPNFPCHUOHIMSO-VHSXEESVSA-N 1 0 238.287 2.280 10 5 BEBERO O=[N+]([O-])c1ccccc1SC[C@H]1CCC[NH2+]1 ZINC000043497345 182952549 /nfs/dbraw/zinc/95/25/49/182952549.db2.gz QJKWTTPZPZYTFD-SECBINFHSA-N 1 0 238.312 2.439 10 5 BEBERO CCC[NH2+]CCNc1cccc(F)c1[N+](=O)[O-] ZINC000054267542 169260072 /nfs/dbraw/zinc/26/00/72/169260072.db2.gz BKZVLBDABSWAAX-UHFFFAOYSA-N 1 0 241.266 2.145 10 5 BEBERO CCC[NH2+]CCOc1cc([N+](=O)[O-])ccc1C ZINC000035678398 169260124 /nfs/dbraw/zinc/26/01/24/169260124.db2.gz WTCDRTXYSCRKIQ-UHFFFAOYSA-N 1 0 238.287 2.282 10 5 BEBERO CCC[NH2+]CCNc1cccc([N+](=O)[O-])c1C ZINC000062724516 169260736 /nfs/dbraw/zinc/26/07/36/169260736.db2.gz GWMCFHWJSLRRPW-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO Cc1cc(-c2nc(C[NH3+])cs2)ccc1[N+](=O)[O-] ZINC000083380896 384515392 /nfs/dbraw/zinc/51/53/92/384515392.db2.gz KXKBIKIKOSCAII-UHFFFAOYSA-N 1 0 249.295 2.485 10 5 BEBERO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000336681253 385637606 /nfs/dbraw/zinc/63/76/06/385637606.db2.gz DPJYNYIMVVNUEL-QMMMGPOBSA-N 1 0 241.266 2.273 10 5 BEBERO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000093212825 386107615 /nfs/dbraw/zinc/10/76/15/386107615.db2.gz XCDQQJMEHNFPAQ-ONGXEEELSA-N 1 0 235.287 2.277 10 5 BEBERO Cc1cc(NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063171657 134524235 /nfs/dbraw/zinc/52/42/35/134524235.db2.gz BZNJCMSGCOYFNX-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000575437788 387111082 /nfs/dbraw/zinc/11/10/82/387111082.db2.gz AIJDDNYUKQZZIL-QMMMGPOBSA-N 1 0 216.187 2.250 10 5 BEBERO [NH3+]Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000095830163 388786633 /nfs/dbraw/zinc/78/66/33/388786633.db2.gz IPCQEKVWBNRDHD-UHFFFAOYSA-N 1 0 220.150 2.072 10 5 BEBERO O=[N+]([O-])c1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000095828402 388786655 /nfs/dbraw/zinc/78/66/55/388786655.db2.gz CWMNRRIWYXVYRY-SECBINFHSA-N 1 0 206.245 2.062 10 5 BEBERO Cc1ccc(N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531998 132224878 /nfs/dbraw/zinc/22/48/78/132224878.db2.gz LMMYGXOMTWFGQN-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO CC[C@@H]([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000233892916 134570215 /nfs/dbraw/zinc/57/02/15/134570215.db2.gz JIPBUVDOUPTZBW-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO CC[C@H]([NH3+])CNc1cc(C)ccc1[N+](=O)[O-] ZINC000087151083 135107938 /nfs/dbraw/zinc/10/79/38/135107938.db2.gz ZMMRVSOTJYUGGP-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO C[C@@H](Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000261572832 135214467 /nfs/dbraw/zinc/21/44/67/135214467.db2.gz IJBQOIVMWOENJK-NKWVEPMBSA-N 1 0 243.694 2.396 10 5 BEBERO CC(C)[NH2+]CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000020525359 167109813 /nfs/dbraw/zinc/10/98/13/167109813.db2.gz XYPVZHSKIDXLRE-UHFFFAOYSA-N 1 0 242.250 2.111 10 5 BEBERO CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050442970 170126397 /nfs/dbraw/zinc/12/63/97/170126397.db2.gz MRPYDIBNTQDVRJ-UHFFFAOYSA-N 1 0 214.652 2.358 10 5 BEBERO CC[C@H](C)COc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516246 171291718 /nfs/dbraw/zinc/29/17/18/171291718.db2.gz DFQJMQVHIXAARD-VIFPVBQESA-N 1 0 238.287 2.478 10 5 BEBERO C[C@@H]([NH3+])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000083591688 175816664 /nfs/dbraw/zinc/81/66/64/175816664.db2.gz JWYQDOWSBMEXNH-RXMQYKEDSA-N 1 0 200.625 2.268 10 5 BEBERO C[C@H]([NH3+])[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000394447704 323001627 /nfs/dbraw/zinc/00/16/27/323001627.db2.gz NJVMRWDOBVZZMW-WDSKDSINSA-N 1 0 245.229 2.021 10 5 BEBERO CC[C@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@@H]1[NH3+] ZINC000757175736 586433192 /nfs/dbraw/zinc/43/31/92/586433192.db2.gz JMEQSMXNRBCFSM-ZJUUUORDSA-N 1 0 222.244 2.074 10 5 BEBERO CC[C@@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@H]1[NH3+] ZINC000757175734 586433223 /nfs/dbraw/zinc/43/32/23/586433223.db2.gz JMEQSMXNRBCFSM-VHSXEESVSA-N 1 0 222.244 2.074 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227077141 640813174 /nfs/dbraw/zinc/81/31/74/640813174.db2.gz PWPMSHFJIDBMOR-JQWIXIFHSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@H]([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429448 640873675 /nfs/dbraw/zinc/87/36/75/640873675.db2.gz ZRUMBPCANGMTQC-LURJTMIESA-N 1 0 229.667 2.007 10 5 BEBERO CC[C@H]([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429491 640874027 /nfs/dbraw/zinc/87/40/27/640874027.db2.gz SJMBNEICCUEUCR-QMMMGPOBSA-N 1 0 243.694 2.397 10 5 BEBERO CC(C)[C@@H]([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000070447955 643023845 /nfs/dbraw/zinc/02/38/45/643023845.db2.gz BXONBIKLWVAMQK-VIFPVBQESA-N 1 0 241.266 2.129 10 5 BEBERO CCN(c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314334 643665679 /nfs/dbraw/zinc/66/56/79/643665679.db2.gz NVATWQNNPWIGIC-GFCCVEGCSA-N 1 0 249.314 2.091 10 5 BEBERO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102366 644835514 /nfs/dbraw/zinc/83/55/14/644835514.db2.gz GLQAKRCNDXVDML-MFKMUULPSA-N 1 0 249.314 2.158 10 5 BEBERO C[NH2+]CCN(c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000720791671 712865978 /nfs/dbraw/zinc/86/59/78/712865978.db2.gz QOQHDGIQYCYWER-UHFFFAOYSA-N 1 0 237.303 2.029 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CC[NH3+])C2)c1 ZINC000723674829 711533452 /nfs/dbraw/zinc/53/34/52/711533452.db2.gz AJNCHLGRYSAVQN-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]CC1(C)C ZINC000721877490 711794717 /nfs/dbraw/zinc/79/47/17/711794717.db2.gz ZAJNVAHIZYUYLC-LLVKDONJSA-N 1 0 249.314 2.313 10 5 BEBERO C[N+]12CCCc3cc(CO)cc(c31)CCC2 ZINC000001623448 717088680 /nfs/dbraw/zinc/08/86/80/717088680.db2.gz YGQMOXBMBPCKPM-UHFFFAOYSA-N 1 0 218.320 2.008 10 5 BEBERO CC1CC([NH3+])(c2cccc([N+](=O)[O-])c2)C1 ZINC000232275391 398164578 /nfs/dbraw/zinc/16/45/78/398164578.db2.gz SMIJREXGUKAWBY-UHFFFAOYSA-N 1 0 206.245 2.179 10 5 BEBERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000336787685 178117919 /nfs/dbraw/zinc/11/79/19/178117919.db2.gz FQAUFQMCBWQBID-ZDUSSCGKSA-N 1 0 249.314 2.078 10 5 BEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000320465662 342734043 /nfs/dbraw/zinc/73/40/43/342734043.db2.gz FEXHEOIBZRSMCP-RKDXNWHRSA-N 1 0 223.276 2.133 10 5 BEBERO CC[C@@H]([NH3+])CNc1ccc(C)cc1[N+](=O)[O-] ZINC000082579329 133502764 /nfs/dbraw/zinc/50/27/64/133502764.db2.gz MBVFJSUIVSPDOY-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO C[N@H+]1CC=C(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027194744 344234257 /nfs/dbraw/zinc/23/42/57/344234257.db2.gz QVJDJQCVBWSNHI-UHFFFAOYSA-N 1 0 218.256 2.314 10 5 BEBERO C[C@@H]([NH3+])CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000235155937 344822630 /nfs/dbraw/zinc/82/26/30/344822630.db2.gz JJKCHMXASLIBHB-ZCFIWIBFSA-N 1 0 245.229 2.022 10 5 BEBERO Cc1ccc(N[C@H](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000310460486 178775162 /nfs/dbraw/zinc/77/51/62/178775162.db2.gz VQCUWHQHAANKNV-SNVBAGLBSA-N 1 0 237.303 2.443 10 5 BEBERO [NH3+]Cc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000044250282 344991465 /nfs/dbraw/zinc/99/14/65/344991465.db2.gz KKXOWLWZIKATFP-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000044493428 345095779 /nfs/dbraw/zinc/09/57/79/345095779.db2.gz QYRJZFABNSDHGT-LLVKDONJSA-N 1 0 249.314 2.457 10 5 BEBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC000044493110 345095887 /nfs/dbraw/zinc/09/58/87/345095887.db2.gz RFNDSVZROHNAKS-LLVKDONJSA-N 1 0 235.287 2.149 10 5 BEBERO [NH3+]Cc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000247651426 345309414 /nfs/dbraw/zinc/30/94/14/345309414.db2.gz NLEJQIUZGHFNIV-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1cc(NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000070447787 345716891 /nfs/dbraw/zinc/71/68/91/345716891.db2.gz DBZDRDVCMVHSDO-LLVKDONJSA-N 1 0 237.303 2.298 10 5 BEBERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000140740003 345822510 /nfs/dbraw/zinc/82/25/10/345822510.db2.gz RPXZCJCGEPQZCA-GFCCVEGCSA-N 1 0 249.314 2.044 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC1CC[NH2+]CC1 ZINC000158929343 346404768 /nfs/dbraw/zinc/40/47/68/346404768.db2.gz RJLFJVJXPLXSFQ-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO CCN(CC[NH3+])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000165936863 346661111 /nfs/dbraw/zinc/66/11/11/346661111.db2.gz GFKAKFMOTJPKRI-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO Cc1cc(N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000594693001 348100152 /nfs/dbraw/zinc/10/01/52/348100152.db2.gz HNFHCMGVHGFIMP-UHFFFAOYSA-N 1 0 237.303 2.077 10 5 BEBERO [NH3+][C@H]1C[C@]12CC=C(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000725265092 538093103 /nfs/dbraw/zinc/09/31/03/538093103.db2.gz FHROCQVIAGLFGB-WCQYABFASA-N 1 0 245.282 2.275 10 5 BEBERO Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382420729 350740046 /nfs/dbraw/zinc/74/00/46/350740046.db2.gz JYOUGYPZGRJMFM-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382435362 350776212 /nfs/dbraw/zinc/77/62/12/350776212.db2.gz VGADIUYNDQYUTC-JQWIXIFHSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cc(Br)c(C[NH3+])c([N+](=O)[O-])c1 ZINC000307264572 351812216 /nfs/dbraw/zinc/81/22/16/351812216.db2.gz CGMVEEFUFYTQEM-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO [NH3+]Cc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000307533469 352639047 /nfs/dbraw/zinc/63/90/47/352639047.db2.gz OMYWUZIAZUCQPC-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO O=[N+]([O-])c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000060165024 188360131 /nfs/dbraw/zinc/36/01/31/188360131.db2.gz YCUSNNDZLDXWRM-LLVKDONJSA-N 1 0 206.245 2.409 10 5 BEBERO CC1(C)[C@H]([NH3+])[C@H]1c1csc([N+](=O)[O-])c1 ZINC000300986475 363259466 /nfs/dbraw/zinc/25/94/66/363259466.db2.gz LDQFFLGMCILPLB-HTQZYQBOSA-N 1 0 212.274 2.107 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCC[NH2+]C1CC1 ZINC000054267797 359760478 /nfs/dbraw/zinc/76/04/78/359760478.db2.gz YJIXJEZHQCLJOX-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO Cc1c(Br)c(C[NH3+])ccc1[N+](=O)[O-] ZINC000306608904 360574473 /nfs/dbraw/zinc/57/44/73/360574473.db2.gz XGMWZWADWTVXPA-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO [NH3+]C1(c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000098089628 181333993 /nfs/dbraw/zinc/33/39/93/181333993.db2.gz HJGWFUVDOUHSJX-UHFFFAOYSA-N 1 0 210.208 2.072 10 5 BEBERO [NH3+]CC1(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000404693362 369433247 /nfs/dbraw/zinc/43/32/47/369433247.db2.gz UFVQVPRGWDETCJ-UHFFFAOYSA-N 1 0 235.287 2.136 10 5 BEBERO Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000600957388 371713112 /nfs/dbraw/zinc/71/31/12/371713112.db2.gz PKBKDOCFXCMFQD-GXSJLCMTSA-N 1 0 235.287 2.066 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600956326 371713601 /nfs/dbraw/zinc/71/36/01/371713601.db2.gz ZPGDGEUWSGGEFD-GHMZBOCLSA-N 1 0 249.314 2.456 10 5 BEBERO Cc1cccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600955304 371714815 /nfs/dbraw/zinc/71/48/15/371714815.db2.gz MBBMWDHUXZEPPF-GHMZBOCLSA-N 1 0 249.314 2.456 10 5 BEBERO O=[N+]([O-])c1ccc(C[C@H]2CCCC[NH2+]2)cc1 ZINC000084493056 182930281 /nfs/dbraw/zinc/93/02/81/182930281.db2.gz UDVJJHMQTMCXAP-LLVKDONJSA-N 1 0 220.272 2.279 10 5 BEBERO CCC[NH2+]CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000020525360 169260225 /nfs/dbraw/zinc/26/02/25/169260225.db2.gz SWUMLAYSFBMCQS-UHFFFAOYSA-N 1 0 242.250 2.112 10 5 BEBERO CCCOc1ccc(C[NH2+]CC)cc1[N+](=O)[O-] ZINC000034660332 169318606 /nfs/dbraw/zinc/31/86/06/169318606.db2.gz DAGVPRLRCHZTIH-UHFFFAOYSA-N 1 0 238.287 2.493 10 5 BEBERO CC1(C)CC([N+](C)(C)C)CC(C)(C)N1O ZINC000002565833 383976100 /nfs/dbraw/zinc/97/61/00/383976100.db2.gz IVGMTLVJDBDFDE-UHFFFAOYSA-N 1 0 215.361 2.103 10 5 BEBERO C[C@@H]1Cc2ccc([N+](=O)[O-])cc2[C@@H](C)[NH2+]1 ZINC000038762202 384093703 /nfs/dbraw/zinc/09/37/03/384093703.db2.gz IAHYHYRUXIBBJR-HTQZYQBOSA-N 1 0 206.245 2.190 10 5 BEBERO C[C@@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000336652711 384244988 /nfs/dbraw/zinc/24/49/88/384244988.db2.gz IVFYKQHQXANPKW-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000336662931 384245207 /nfs/dbraw/zinc/24/52/07/384245207.db2.gz OVMKSNHXKPQBFO-SECBINFHSA-N 1 0 223.276 2.134 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCC[NH3+])c1 ZINC000336685049 384251277 /nfs/dbraw/zinc/25/12/77/384251277.db2.gz FQZCCTUGUPIHDO-SNVBAGLBSA-N 1 0 237.303 2.443 10 5 BEBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000320580984 384743685 /nfs/dbraw/zinc/74/36/85/384743685.db2.gz UJELWHSLQCQGDL-BDAKNGLRSA-N 1 0 223.276 2.133 10 5 BEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000320721261 384839762 /nfs/dbraw/zinc/83/97/62/384839762.db2.gz VZDSKSAUSLJEFO-HTQZYQBOSA-N 1 0 241.266 2.272 10 5 BEBERO C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000052272278 385714371 /nfs/dbraw/zinc/71/43/71/385714371.db2.gz LXPFYLKSGBIRHM-PSASIEDQSA-N 1 0 206.245 2.093 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000319980503 386397500 /nfs/dbraw/zinc/39/75/00/386397500.db2.gz FTWAECGHNFDCBI-VHSXEESVSA-N 1 0 237.303 2.441 10 5 BEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CN2 ZINC000211929940 386832083 /nfs/dbraw/zinc/83/20/83/386832083.db2.gz UBKNRUYZVXALFA-LBPRGKRZSA-N 1 0 233.271 2.061 10 5 BEBERO C[C@@H]([NH3+])CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063171549 134524206 /nfs/dbraw/zinc/52/42/06/134524206.db2.gz RFVZBHNDRXUPIN-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO CCOC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000044691825 387691061 /nfs/dbraw/zinc/69/10/61/387691061.db2.gz ZJGFOHUVECRJOG-QMMMGPOBSA-N 1 0 244.316 2.171 10 5 BEBERO Cc1ccc(NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000596026764 388400528 /nfs/dbraw/zinc/40/05/28/388400528.db2.gz MAVVPKYHWHYMDB-UHFFFAOYSA-N 1 0 247.298 2.067 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NCC12CC(C1)C[NH2+]2 ZINC000596026696 388400700 /nfs/dbraw/zinc/40/07/00/388400700.db2.gz JZYKRWFTNLHXKQ-UHFFFAOYSA-N 1 0 247.298 2.067 10 5 BEBERO C[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131328430 134629176 /nfs/dbraw/zinc/62/91/76/134629176.db2.gz DHRYQFLLFOFMMC-ZJUUUORDSA-N 1 0 236.271 2.034 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH3+])c1 ZINC000087151074 135107942 /nfs/dbraw/zinc/10/79/42/135107942.db2.gz JKJPZXPHZUUSFW-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO C[C@H]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261550571 135189207 /nfs/dbraw/zinc/18/92/07/135189207.db2.gz PAPNPKCAKPREMB-QWRGUYRKSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1ccc(N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261578797 135220137 /nfs/dbraw/zinc/22/01/37/135220137.db2.gz PCPLETGEEYOZLM-CYBMUJFWSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]([NH3+])C(C)C)c1 ZINC000094663359 135616771 /nfs/dbraw/zinc/61/67/71/135616771.db2.gz VJRKBFYAWWTCQP-JTQLQIEISA-N 1 0 237.303 2.298 10 5 BEBERO Cc1cc(Br)c([N+](=O)[O-])c(C[NH3+])c1 ZINC000306944261 397959487 /nfs/dbraw/zinc/95/94/87/397959487.db2.gz XLCUWZDNDIDJSR-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO CC(C)[NH2+]CCCOc1cccc([N+](=O)[O-])c1 ZINC000020525346 167102652 /nfs/dbraw/zinc/10/26/52/167102652.db2.gz DRYXMBNMVGXFQL-UHFFFAOYSA-N 1 0 238.287 2.362 10 5 BEBERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083366731 167118659 /nfs/dbraw/zinc/11/86/59/167118659.db2.gz JWKJWIBZANRIRQ-UHFFFAOYSA-N 1 0 239.231 2.001 10 5 BEBERO CC[N@@H+]1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000336885537 170014204 /nfs/dbraw/zinc/01/42/04/170014204.db2.gz AVXREGHUXGVUCC-LLVKDONJSA-N 1 0 249.314 2.409 10 5 BEBERO CC[NH2+]CCCNc1cc([N+](=O)[O-])ccc1C ZINC000053734890 170112438 /nfs/dbraw/zinc/11/24/38/170112438.db2.gz WQXDXCKFBNDXKO-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO CC[NH2+]CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429208 170116107 /nfs/dbraw/zinc/11/61/07/170116107.db2.gz NQQOARSGAWEVEH-UHFFFAOYSA-N 1 0 243.694 2.270 10 5 BEBERO COc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000021516144 175105557 /nfs/dbraw/zinc/10/55/57/175105557.db2.gz XAVKDZDEFAFVRQ-UHFFFAOYSA-N 1 0 238.287 2.492 10 5 BEBERO COc1ccc([N+](=O)[O-])cc1C[C@@H](C)[C@@H](C)[NH3+] ZINC000037947427 175200740 /nfs/dbraw/zinc/20/07/40/175200740.db2.gz MHJSCVVARLHPEI-RKDXNWHRSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@@H]([NH3+])[C@H](C)Cc1cccc([N+](=O)[O-])c1 ZINC000037947331 175812608 /nfs/dbraw/zinc/81/26/08/175812608.db2.gz HAROZPVALIMSFA-RKDXNWHRSA-N 1 0 208.261 2.121 10 5 BEBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000320674549 323183191 /nfs/dbraw/zinc/18/31/91/323183191.db2.gz KCPARGMZAQMZNW-SFYZADRCSA-N 1 0 241.266 2.272 10 5 BEBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cc1F ZINC000320721263 323580262 /nfs/dbraw/zinc/58/02/62/323580262.db2.gz VZDSKSAUSLJEFO-JGVFFNPUSA-N 1 0 241.266 2.272 10 5 BEBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000057998239 323942196 /nfs/dbraw/zinc/94/21/96/323942196.db2.gz HHTZEQUBDRGUPV-UHFFFAOYSA-N 1 0 232.239 2.478 10 5 BEBERO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000147537097 488034653 /nfs/dbraw/zinc/03/46/53/488034653.db2.gz OAMJZVPEILIKFB-MNOVXSKESA-N 1 0 249.314 2.158 10 5 BEBERO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110920514 588712667 /nfs/dbraw/zinc/71/26/67/588712667.db2.gz WHMTXOKRHKMFKJ-SNVBAGLBSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1ccc(N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000216191529 592012938 /nfs/dbraw/zinc/01/29/38/592012938.db2.gz GUSQWPJPGYPGSB-WDEREUQCSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000309398048 632023125 /nfs/dbraw/zinc/02/31/25/632023125.db2.gz GYKNFQPINLLOIX-ZETCQYMHSA-N 1 0 246.669 2.406 10 5 BEBERO [NH3+][C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000310491775 632748672 /nfs/dbraw/zinc/74/86/72/632748672.db2.gz GBXIGPAMBOZQPC-VHSXEESVSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCC2CC([NH3+])C2)c1 ZINC000715094012 712508161 /nfs/dbraw/zinc/50/81/61/712508161.db2.gz OTSVZGZZSWDXJE-UHFFFAOYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720831410 712869230 /nfs/dbraw/zinc/86/92/30/712869230.db2.gz VVHJBAFJNFRKPW-LBPRGKRZSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720838370 712869237 /nfs/dbraw/zinc/86/92/37/712869237.db2.gz XUWUKQILSMGSCK-LBPRGKRZSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccccc1[N+](=O)[O-] ZINC000721029979 712887489 /nfs/dbraw/zinc/88/74/89/712887489.db2.gz ADKFOWVJUUGAQP-GHMZBOCLSA-N 1 0 249.314 2.252 10 5 BEBERO Cc1[nH]c(C)c(C(=O)CC[N+](C)(C)C)c1C ZINC000690404391 717188425 /nfs/dbraw/zinc/18/84/25/717188425.db2.gz SAFJLQINMPYYIX-UHFFFAOYSA-O 1 0 223.340 2.219 10 5 BEBERO C[C@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000309324740 136217918 /nfs/dbraw/zinc/21/79/18/136217918.db2.gz HWFDPXGTFCTUQZ-SSDOTTSWSA-N 1 0 243.694 2.255 10 5 BEBERO C[C@@H](C[NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000309324743 136217985 /nfs/dbraw/zinc/21/79/85/136217985.db2.gz HWFDPXGTFCTUQZ-ZETCQYMHSA-N 1 0 243.694 2.255 10 5 BEBERO Cc1cc(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1C ZINC000061989853 178190737 /nfs/dbraw/zinc/19/07/37/178190737.db2.gz KGAOJEZZAKBTJV-NSHDSACASA-N 1 0 249.314 2.328 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+](C)C)C1 ZINC000266951178 178271548 /nfs/dbraw/zinc/27/15/48/178271548.db2.gz FEJBUJIWBJNZFR-LBPRGKRZSA-N 1 0 249.314 2.044 10 5 BEBERO Cc1ccc(-c2csc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC000019817744 178330565 /nfs/dbraw/zinc/33/05/65/178330565.db2.gz QQKXEFJJFQTSKO-UHFFFAOYSA-N 1 0 249.295 2.485 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[NH2+][C@H]1C ZINC000600956642 344401773 /nfs/dbraw/zinc/40/17/73/344401773.db2.gz DURQNCGNNMYPRW-JOYOIKCWSA-N 1 0 235.287 2.066 10 5 BEBERO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000381414728 344503059 /nfs/dbraw/zinc/50/30/59/344503059.db2.gz YUFJZOVWPOXRIP-HTQZYQBOSA-N 1 0 241.266 2.190 10 5 BEBERO Cc1cccc(N[C@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381538457 344519303 /nfs/dbraw/zinc/51/93/03/344519303.db2.gz CKWXRAAXJYUOHS-DTWKUNHWSA-N 1 0 223.276 2.051 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)[NH3+] ZINC000381583194 344523416 /nfs/dbraw/zinc/52/34/16/344523416.db2.gz JZBJRKSLULIZSX-IUCAKERBSA-N 1 0 223.276 2.051 10 5 BEBERO Cc1cccc(NCC[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000235489630 344924843 /nfs/dbraw/zinc/92/48/43/344924843.db2.gz OBHGXKCPBDFKAC-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO C[C@@H]1Cc2c(cccc2[N+](=O)[O-])[C@@H]([NH3+])C1 ZINC000675078821 537899612 /nfs/dbraw/zinc/89/96/12/537899612.db2.gz UFNZJXYBZCRSBC-XCBNKYQSSA-N 1 0 206.245 2.177 10 5 BEBERO Cc1ccc(NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447910 345716879 /nfs/dbraw/zinc/71/68/79/345716879.db2.gz COLSTMCKTXBCLC-JTQLQIEISA-N 1 0 237.303 2.298 10 5 BEBERO Cc1ccc(NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447911 345717031 /nfs/dbraw/zinc/71/70/31/345717031.db2.gz COLSTMCKTXBCLC-SNVBAGLBSA-N 1 0 237.303 2.298 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382437683 346040583 /nfs/dbraw/zinc/04/05/83/346040583.db2.gz XGKMKYSQNVUVGT-QWRGUYRKSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252108532 133648915 /nfs/dbraw/zinc/64/89/15/133648915.db2.gz HKSAZBVRARNSIK-GWCFXTLKSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CC[NH3+] ZINC000309456140 179206267 /nfs/dbraw/zinc/20/62/67/179206267.db2.gz POGUDMATJJHJHA-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO C[NH2+]C[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000596033179 348428017 /nfs/dbraw/zinc/42/80/17/348428017.db2.gz RIXVERWBTZBEPC-SSDOTTSWSA-N 1 0 243.694 2.268 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382433922 350776079 /nfs/dbraw/zinc/77/60/79/350776079.db2.gz TXKLWNAGDXZENG-QWRGUYRKSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1c([N+](=O)[O-])ccc(Br)c1C[NH3+] ZINC000306929492 351345937 /nfs/dbraw/zinc/34/59/37/351345937.db2.gz BHFYNCMPXSJKJK-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1cc(C[NH3+])c(Cl)c([N+](=O)[O-])c1 ZINC000307665140 352748850 /nfs/dbraw/zinc/74/88/50/352748850.db2.gz ASUKFEREIGYOBN-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1c(C[C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000037947342 188289512 /nfs/dbraw/zinc/28/95/12/188289512.db2.gz LISPITVGEAALCF-PSASIEDQSA-N 1 0 222.288 2.429 10 5 BEBERO Cc1ccc(N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000389732916 357089167 /nfs/dbraw/zinc/08/91/67/357089167.db2.gz RQYJQIKAWDKTDU-PWSUYJOCSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1cc(NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000070447786 359056726 /nfs/dbraw/zinc/05/67/26/359056726.db2.gz DBZDRDVCMVHSDO-NSHDSACASA-N 1 0 237.303 2.298 10 5 BEBERO Cc1ccc2c(c1)nc(N)c1ncc(C[NH3+])cc21 ZINC000115016290 368967455 /nfs/dbraw/zinc/96/74/55/368967455.db2.gz OHMKOJCFZPPPGW-UHFFFAOYSA-N 1 0 238.294 2.132 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC2CC[NH2+]CC2)c1 ZINC000094663235 369863716 /nfs/dbraw/zinc/86/37/16/369863716.db2.gz ZFODLXXYGWDLHK-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000600952249 371714566 /nfs/dbraw/zinc/71/45/66/371714566.db2.gz SZFGJASKNUYGSG-WDEREUQCSA-N 1 0 249.314 2.456 10 5 BEBERO O=[N+]([O-])c1ccccc1[C@H]1CCC[NH2+]C1 ZINC000095827050 182952732 /nfs/dbraw/zinc/95/27/32/182952732.db2.gz CWMNRRIWYXVYRY-VIFPVBQESA-N 1 0 206.245 2.062 10 5 BEBERO CCC[C@@H]([NH3+])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000071424569 169392702 /nfs/dbraw/zinc/39/27/02/169392702.db2.gz XKFXCLCQWPDANA-SNVBAGLBSA-N 1 0 238.287 2.273 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH3+])c1 ZINC000309440280 384227904 /nfs/dbraw/zinc/22/79/04/384227904.db2.gz LJNWHLQMGUPBTN-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO O=[N+]([O-])c1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000060165023 384470717 /nfs/dbraw/zinc/47/07/17/384470717.db2.gz YCUSNNDZLDXWRM-NSHDSACASA-N 1 0 206.245 2.409 10 5 BEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000320580988 384743163 /nfs/dbraw/zinc/74/31/63/384743163.db2.gz UJELWHSLQCQGDL-RKDXNWHRSA-N 1 0 223.276 2.133 10 5 BEBERO CC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000126271997 384783460 /nfs/dbraw/zinc/78/34/60/384783460.db2.gz IKEORTNLNMZILK-UHFFFAOYSA-N 1 0 208.261 2.355 10 5 BEBERO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000093212823 386107448 /nfs/dbraw/zinc/10/74/48/386107448.db2.gz XCDQQJMEHNFPAQ-GXSJLCMTSA-N 1 0 235.287 2.277 10 5 BEBERO [NH3+][C@H](CCF)c1cc([N+](=O)[O-])ccc1F ZINC000575439417 387084947 /nfs/dbraw/zinc/08/49/47/387084947.db2.gz JQTKRBIUUFHNPM-SECBINFHSA-N 1 0 216.187 2.093 10 5 BEBERO [NH3+][C@H](CC(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000575437422 387106873 /nfs/dbraw/zinc/10/68/73/387106873.db2.gz FBUJGBGVFVWXRO-SSDOTTSWSA-N 1 0 234.177 2.389 10 5 BEBERO Cc1ccc([C@@H]([NH3+])CCF)cc1[N+](=O)[O-] ZINC000575438195 387108904 /nfs/dbraw/zinc/10/89/04/387108904.db2.gz DUFUDUZRUGQIGY-VIFPVBQESA-N 1 0 212.224 2.263 10 5 BEBERO Cc1c(C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000306606531 387589955 /nfs/dbraw/zinc/58/99/55/387589955.db2.gz RPDCGQRHVJVCOI-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000125251144 388779812 /nfs/dbraw/zinc/77/98/12/388779812.db2.gz UPCZGHQLQKYJMB-MDZLAQPJSA-N 1 0 248.282 2.004 10 5 BEBERO Cc1ccc(N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559663 132225090 /nfs/dbraw/zinc/22/50/90/132225090.db2.gz CVDMYYOZZIZKEG-NSHDSACASA-N 1 0 249.314 2.221 10 5 BEBERO Cc1ccc(N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559662 132225270 /nfs/dbraw/zinc/22/52/70/132225270.db2.gz CVDMYYOZZIZKEG-LLVKDONJSA-N 1 0 249.314 2.221 10 5 BEBERO C[C@@H]([NH3+])[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261572833 135214489 /nfs/dbraw/zinc/21/44/89/135214489.db2.gz IJBQOIVMWOENJK-RNFRBKRXSA-N 1 0 243.694 2.396 10 5 BEBERO C[C@@H](CCC[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000336644889 397948484 /nfs/dbraw/zinc/94/84/84/397948484.db2.gz CPJICZZFJRJBMR-VIFPVBQESA-N 1 0 223.276 2.134 10 5 BEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC1)CN2 ZINC000211929864 398050651 /nfs/dbraw/zinc/05/06/51/398050651.db2.gz UBKNRUYZVXALFA-GFCCVEGCSA-N 1 0 233.271 2.061 10 5 BEBERO CC(C)C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035307962 167007487 /nfs/dbraw/zinc/00/74/87/167007487.db2.gz OOFRXLJMMNDOFV-UHFFFAOYSA-N 1 0 226.251 2.480 10 5 BEBERO CC[NH2+]CCCNc1ccccc1[N+](=O)[O-] ZINC000038043379 170112475 /nfs/dbraw/zinc/11/24/75/170112475.db2.gz BOTBEZOOUWIKRM-UHFFFAOYSA-N 1 0 223.276 2.006 10 5 BEBERO CC[NH2+]CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000038043510 170112622 /nfs/dbraw/zinc/11/26/22/170112622.db2.gz CPZLKLPNFQUQKA-UHFFFAOYSA-N 1 0 241.266 2.145 10 5 BEBERO COc1ccc([N+](=O)[O-])cc1C[C@H](C)[C@@H](C)[NH3+] ZINC000037947426 175201244 /nfs/dbraw/zinc/20/12/44/175201244.db2.gz MHJSCVVARLHPEI-DTWKUNHWSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@H]([NH3+])C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000320638853 323576238 /nfs/dbraw/zinc/57/62/38/323576238.db2.gz DFSGFZOGOKIAHY-YUMQZZPRSA-N 1 0 241.266 2.272 10 5 BEBERO CC[C@@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175544 586432934 /nfs/dbraw/zinc/43/29/34/586432934.db2.gz AOGQOXWLBYYVRD-VHSXEESVSA-N 1 0 222.244 2.074 10 5 BEBERO [NH3+]CC1(c2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC000757190315 586435678 /nfs/dbraw/zinc/43/56/78/586435678.db2.gz KDVGSCUFSYXJIO-UHFFFAOYSA-N 1 0 242.225 2.220 10 5 BEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122964018 589646108 /nfs/dbraw/zinc/64/61/08/589646108.db2.gz YWCMFIJLSRUQPM-MFKMUULPSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1ccc(N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000127260363 590602490 /nfs/dbraw/zinc/60/24/90/590602490.db2.gz TZUZLYGREWQPKD-MNOVXSKESA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc(NCCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000310247781 632711782 /nfs/dbraw/zinc/71/17/82/632711782.db2.gz VLAMFVTWRZQVFD-UHFFFAOYSA-N 1 0 237.303 2.443 10 5 BEBERO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000040601923 636934891 /nfs/dbraw/zinc/93/48/91/636934891.db2.gz YWUDXHXLCUEATH-NSHDSACASA-N 1 0 249.314 2.031 10 5 BEBERO CC[C@@H]([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429482 640874077 /nfs/dbraw/zinc/87/40/77/640874077.db2.gz SJMBNEICCUEUCR-MRVPVSSYSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@@H](C[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429461 640874134 /nfs/dbraw/zinc/87/41/34/640874134.db2.gz GDAZMJVIYNIMIC-LURJTMIESA-N 1 0 229.667 2.007 10 5 BEBERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000078505434 641930961 /nfs/dbraw/zinc/93/09/61/641930961.db2.gz GLQAKRCNDXVDML-GXFFZTMASA-N 1 0 249.314 2.158 10 5 BEBERO Cc1cccc(NC[C@@H]2C[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000723795813 710730867 /nfs/dbraw/zinc/73/08/67/710730867.db2.gz BHTKNXJTGVGBLI-MNOVXSKESA-N 1 0 249.314 2.171 10 5 BEBERO Cc1cccc(NC[C@@H]2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000311235330 711683064 /nfs/dbraw/zinc/68/30/64/711683064.db2.gz SUUPKPZLGSVAPW-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO CC1(C)C[NH2+]C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000721863216 711791825 /nfs/dbraw/zinc/79/18/25/711791825.db2.gz IJYUHUXNPVWOEB-NSHDSACASA-N 1 0 235.287 2.005 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715094039 712507845 /nfs/dbraw/zinc/50/78/45/712507845.db2.gz PPYHHYWIPHRVGH-MGCOHNPYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc(NC[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000715091757 712508055 /nfs/dbraw/zinc/50/80/55/712508055.db2.gz AOZICBCCLLQMEF-MGCOHNPYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cc(N2C[C@@H]([NH3+])C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000720836914 712869451 /nfs/dbraw/zinc/86/94/51/712869451.db2.gz UNDHJMQGEQBUTH-GFCCVEGCSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc(C)c(C[N+]23CCN(CC2)CC3)c(C)c1 ZINC000049155126 717129790 /nfs/dbraw/zinc/12/97/90/717129790.db2.gz NXLQFFZCNREIET-UHFFFAOYSA-N 1 0 245.390 2.258 10 5 BEBERO Cc1cc(C[N+]23CCN(CC2)CC3)c(C)s1 ZINC000194440601 717157711 /nfs/dbraw/zinc/15/77/11/717157711.db2.gz AKXYADMIWDUPOJ-UHFFFAOYSA-N 1 0 237.392 2.011 10 5 BEBERO C[C@@H]([NH3+])[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000394447697 323001706 /nfs/dbraw/zinc/00/17/06/323001706.db2.gz NJVMRWDOBVZZMW-PHDIDXHHSA-N 1 0 245.229 2.021 10 5 BEBERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320127352 342732385 /nfs/dbraw/zinc/73/23/85/342732385.db2.gz QKDWVBDAHQVTBN-ZJUUUORDSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[C@H](C)[NH3+] ZINC000320130711 342732405 /nfs/dbraw/zinc/73/24/05/342732405.db2.gz QVVJMRMCSUVPOQ-VHSXEESVSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320127345 342732407 /nfs/dbraw/zinc/73/24/07/342732407.db2.gz QKDWVBDAHQVTBN-NXEZZACHSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000320130707 342732500 /nfs/dbraw/zinc/73/25/00/342732500.db2.gz QVVJMRMCSUVPOQ-NXEZZACHSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000228164000 398323231 /nfs/dbraw/zinc/32/32/31/398323231.db2.gz WSPLGZAUJCXWHK-WDEREUQCSA-N 1 0 249.314 2.077 10 5 BEBERO COc1cc(C(C)(C)[NH3+])c(C)cc1[N+](=O)[O-] ZINC000309237393 342920255 /nfs/dbraw/zinc/92/02/55/342920255.db2.gz VOSOAWJZRRHGRC-UHFFFAOYSA-N 1 0 224.260 2.106 10 5 BEBERO O=[N+]([O-])c1ccc(F)c([C@@H]2CCC[NH2+]2)c1 ZINC000072201997 343069235 /nfs/dbraw/zinc/06/92/35/343069235.db2.gz ZXVMLTIUPKTTKT-JTQLQIEISA-N 1 0 210.208 2.158 10 5 BEBERO COc1ccc([C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000072202309 343071785 /nfs/dbraw/zinc/07/17/85/343071785.db2.gz FCYKHIHDFUZBTP-SECBINFHSA-N 1 0 222.244 2.028 10 5 BEBERO CC[NH2+][C@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000387516737 344572678 /nfs/dbraw/zinc/57/26/78/344572678.db2.gz GSUWSXIFZDBOPP-SNVBAGLBSA-N 1 0 237.303 2.313 10 5 BEBERO Cc1cccc(N[C@@H](C)[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381538459 344519089 /nfs/dbraw/zinc/51/90/89/344519089.db2.gz CKWXRAAXJYUOHS-IUCAKERBSA-N 1 0 223.276 2.051 10 5 BEBERO Cc1ccc(N(C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000104362815 178700160 /nfs/dbraw/zinc/70/01/60/178700160.db2.gz WZWHYJJZBOFNHC-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO Cc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000061701279 178760400 /nfs/dbraw/zinc/76/04/00/178760400.db2.gz USIUUAXWBKWCNE-LLVKDONJSA-N 1 0 249.314 2.315 10 5 BEBERO O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC[NH2+]2)c1 ZINC000044257427 344996660 /nfs/dbraw/zinc/99/66/60/344996660.db2.gz WGDIPMDEJSCHCA-VIFPVBQESA-N 1 0 212.636 2.283 10 5 BEBERO O=[N+]([O-])c1ccccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493059 345095732 /nfs/dbraw/zinc/09/57/32/345095732.db2.gz WTCIHNNVPODNAU-SNVBAGLBSA-N 1 0 235.287 2.149 10 5 BEBERO Cc1cc(N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336670477 187306417 /nfs/dbraw/zinc/30/64/17/187306417.db2.gz RVZUXZPJGSABRG-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382437682 346040995 /nfs/dbraw/zinc/04/09/95/346040995.db2.gz XGKMKYSQNVUVGT-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cccc(N[C@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000336729385 179155846 /nfs/dbraw/zinc/15/58/46/179155846.db2.gz XHZOBIMAZCQHIC-SNVBAGLBSA-N 1 0 237.303 2.443 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N(C)CC(C)(C)[NH3+] ZINC000594693061 348100307 /nfs/dbraw/zinc/10/03/07/348100307.db2.gz JWCCCBAJIBPUMF-UHFFFAOYSA-N 1 0 237.303 2.077 10 5 BEBERO CC(C)([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228430079 191103269 /nfs/dbraw/zinc/10/32/69/191103269.db2.gz DTPIXMVOWLPDTE-UHFFFAOYSA-N 1 0 243.694 2.397 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382433923 350776109 /nfs/dbraw/zinc/77/61/09/350776109.db2.gz TXKLWNAGDXZENG-WDEREUQCSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@@H]1C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000052278729 350975571 /nfs/dbraw/zinc/97/55/71/350975571.db2.gz VKWDSZVTDIMIGN-BXKDBHETSA-N 1 0 220.272 2.135 10 5 BEBERO Cc1cc(Br)c([N+](=O)[O-])cc1C[NH3+] ZINC000307023330 351427351 /nfs/dbraw/zinc/42/73/51/351427351.db2.gz FGIICYPHNYZCNV-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252108534 363061356 /nfs/dbraw/zinc/06/13/56/363061356.db2.gz HKSAZBVRARNSIK-MFKMUULPSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1cc(C[NH3+])cc(Cl)c1[N+](=O)[O-] ZINC000307435929 352595864 /nfs/dbraw/zinc/59/58/64/352595864.db2.gz ONVSLTKCTRUPRA-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1c(Br)ccc(C[NH3+])c1[N+](=O)[O-] ZINC000307673292 352751022 /nfs/dbraw/zinc/75/10/22/352751022.db2.gz ZAMYZAYUYHJISK-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000389729555 357091018 /nfs/dbraw/zinc/09/10/18/357091018.db2.gz OKLGVPROAFTGTP-JOYOIKCWSA-N 1 0 249.314 2.313 10 5 BEBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000387483793 366837912 /nfs/dbraw/zinc/83/79/12/366837912.db2.gz WUWFHSSFBZTDIF-SECBINFHSA-N 1 0 223.276 2.005 10 5 BEBERO CC[NH2+][C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000387615772 368984343 /nfs/dbraw/zinc/98/43/43/368984343.db2.gz ZYPXKXHNLGXQBG-MRVPVSSYSA-N 1 0 241.266 2.144 10 5 BEBERO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000387534194 368952942 /nfs/dbraw/zinc/95/29/42/368952942.db2.gz KSPQWEILXPSAQH-MRVPVSSYSA-N 1 0 241.266 2.144 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NCCC1(C[NH3+])CC1 ZINC000404649518 369432925 /nfs/dbraw/zinc/43/29/25/369432925.db2.gz QNBDUXFHLPLPQG-UHFFFAOYSA-N 1 0 249.314 2.444 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1c(C)cccc1[N+](=O)[O-] ZINC000600952573 371715152 /nfs/dbraw/zinc/71/51/52/371715152.db2.gz ZYENHCDJAGARRV-WDEREUQCSA-N 1 0 249.314 2.456 10 5 BEBERO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CC1 ZINC000141048806 372859328 /nfs/dbraw/zinc/85/93/28/372859328.db2.gz ABGCDFKIFZVRBE-KGLIPLIRSA-N 1 0 246.310 2.174 10 5 BEBERO C[C@@H](CC[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000310142915 383958347 /nfs/dbraw/zinc/95/83/47/383958347.db2.gz NIGZYNSVYGGMJL-LURJTMIESA-N 1 0 245.229 2.022 10 5 BEBERO C[C@@H](CC[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000309418506 384182899 /nfs/dbraw/zinc/18/28/99/384182899.db2.gz HIBBYYAYBYZUKF-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@H](C[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000082576006 384394671 /nfs/dbraw/zinc/39/46/71/384394671.db2.gz ANUBMLRRUUCJLU-ZCFIWIBFSA-N 1 0 229.667 2.007 10 5 BEBERO Cc1ccc(NCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000044509250 384754791 /nfs/dbraw/zinc/75/47/91/384754791.db2.gz SLBDMWJHINGVOK-UHFFFAOYSA-N 1 0 249.314 2.315 10 5 BEBERO Cc1ccc(N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000319979078 384960905 /nfs/dbraw/zinc/96/09/05/384960905.db2.gz FOVOLGRANQPWIS-ZJUUUORDSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCC[NH3+])c1 ZINC000336685005 385681118 /nfs/dbraw/zinc/68/11/18/385681118.db2.gz FQZCCTUGUPIHDO-JTQLQIEISA-N 1 0 237.303 2.443 10 5 BEBERO [NH3+]Cc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000306814881 385806868 /nfs/dbraw/zinc/80/68/68/385806868.db2.gz CDFBEQMOURPDAN-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1cc(C[NH3+])cc([N+](=O)[O-])c1Cl ZINC000307488891 386683994 /nfs/dbraw/zinc/68/39/94/386683994.db2.gz FMRMZYMUCHBNBX-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1cc([N+](=O)[O-])ccc1F ZINC000575437512 387109289 /nfs/dbraw/zinc/10/92/89/387109289.db2.gz HYKKSOBTGPEOJK-QMMMGPOBSA-N 1 0 234.177 2.389 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000575437929 387112747 /nfs/dbraw/zinc/11/27/47/387112747.db2.gz CLMJATDJGOYLCM-QMMMGPOBSA-N 1 0 216.187 2.250 10 5 BEBERO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000228082720 387683370 /nfs/dbraw/zinc/68/33/70/387683370.db2.gz VPHLBWXXYMAFNT-MNOVXSKESA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cccc(NCC23CC(C2)C[NH2+]3)c1[N+](=O)[O-] ZINC000596026137 388400812 /nfs/dbraw/zinc/40/08/12/388400812.db2.gz CKAJRTBXXPMKEI-UHFFFAOYSA-N 1 0 247.298 2.067 10 5 BEBERO CC[C@@H]([NH3+])CNc1c(C)cccc1[N+](=O)[O-] ZINC000125758976 388806569 /nfs/dbraw/zinc/80/65/69/388806569.db2.gz LNEDIVHQOSUCSB-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235369669 132395289 /nfs/dbraw/zinc/39/52/89/132395289.db2.gz PAPNPKCAKPREMB-GHMZBOCLSA-N 1 0 249.314 2.158 10 5 BEBERO CC[C@@H]1[NH2+]CCc2ccc([N+](=O)[O-])cc21 ZINC000039101088 171150338 /nfs/dbraw/zinc/15/03/38/171150338.db2.gz JKJKWLLJGMVKGF-NSHDSACASA-N 1 0 206.245 2.192 10 5 BEBERO C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000039110208 173048344 /nfs/dbraw/zinc/04/83/44/173048344.db2.gz UUUUSXUSFHOGFQ-NSHDSACASA-N 1 0 220.272 2.404 10 5 BEBERO Cc1cccc(N[C@@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320374221 323563018 /nfs/dbraw/zinc/56/30/18/323563018.db2.gz RECMVVJQXJRMCG-ZJUUUORDSA-N 1 0 237.303 2.441 10 5 BEBERO [NH3+]CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000133726705 591851282 /nfs/dbraw/zinc/85/12/82/591851282.db2.gz SRFCLEMCCKIXLK-UHFFFAOYSA-N 1 0 229.667 2.009 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166420299 632025963 /nfs/dbraw/zinc/02/59/63/632025963.db2.gz OWWYMRMZXBVAJF-GHMZBOCLSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1c(C[NH2+][C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000052278719 635730722 /nfs/dbraw/zinc/73/07/22/635730722.db2.gz LRUMENPAESATEJ-KWQFWETISA-N 1 0 220.272 2.401 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000311088781 633066417 /nfs/dbraw/zinc/06/64/17/633066417.db2.gz YIAAQKYQKGVEBI-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCCC(C)(C)[NH3+])c1 ZINC000306077609 642720085 /nfs/dbraw/zinc/72/00/85/642720085.db2.gz AWSHYLWTGCOWOC-UHFFFAOYSA-N 1 0 237.303 2.443 10 5 BEBERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070174869 642987480 /nfs/dbraw/zinc/98/74/80/642987480.db2.gz FVJVWEDIKNJYBI-WDEREUQCSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]C(C)(C)C1 ZINC000084576082 644427974 /nfs/dbraw/zinc/42/79/74/644427974.db2.gz TVNXRLXZVLYVKX-UHFFFAOYSA-N 1 0 249.314 2.091 10 5 BEBERO Cc1ccc(N2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000723674918 711533010 /nfs/dbraw/zinc/53/30/10/711533010.db2.gz JNZBAUNCKXBDFK-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cccc(N2CC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000723675243 711533745 /nfs/dbraw/zinc/53/37/45/711533745.db2.gz ULDNDLAXSVACNB-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715092294 712508128 /nfs/dbraw/zinc/50/81/28/712508128.db2.gz DRQYDLOHWCZLBB-MGCOHNPYSA-N 1 0 235.287 2.052 10 5 BEBERO CCN(CC[NH3+])c1c(Cl)cccc1[N+](=O)[O-] ZINC000233456159 342863815 /nfs/dbraw/zinc/86/38/15/342863815.db2.gz JWTWJFSMLNQFNY-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO Cc1ccc([C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000072201915 343068468 /nfs/dbraw/zinc/06/84/68/343068468.db2.gz DUBNHJOMTCFKSM-JTQLQIEISA-N 1 0 206.245 2.328 10 5 BEBERO Cc1cccc(N[C@H](C)[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000381538462 344519178 /nfs/dbraw/zinc/51/91/78/344519178.db2.gz CKWXRAAXJYUOHS-RKDXNWHRSA-N 1 0 223.276 2.051 10 5 BEBERO [NH3+][C@@H](CF)c1cc([N+](=O)[O-])ccc1Cl ZINC000238573244 345080589 /nfs/dbraw/zinc/08/05/89/345080589.db2.gz ZECDSWBNAJJIKE-QMMMGPOBSA-N 1 0 218.615 2.218 10 5 BEBERO Cc1ccc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000044493426 345095950 /nfs/dbraw/zinc/09/59/50/345095950.db2.gz QYRJZFABNSDHGT-NSHDSACASA-N 1 0 249.314 2.457 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493452 345095997 /nfs/dbraw/zinc/09/59/97/345095997.db2.gz GMSAATALXFAOGP-LLVKDONJSA-N 1 0 249.314 2.457 10 5 BEBERO CC(C)[C@H]([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000070447850 345716866 /nfs/dbraw/zinc/71/68/66/345716866.db2.gz PTNZCOULMYNDRD-SECBINFHSA-N 1 0 241.266 2.129 10 5 BEBERO Cc1cccc(N[C@H](C)CC[NH3+])c1[N+](=O)[O-] ZINC000336666732 179156109 /nfs/dbraw/zinc/15/61/09/179156109.db2.gz QCZPYPLKCULYQE-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH3+])CC2)c1 ZINC000591434370 347659896 /nfs/dbraw/zinc/65/98/96/347659896.db2.gz BVPCVLLYAZPMCS-UHFFFAOYSA-N 1 0 249.314 2.221 10 5 BEBERO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)cc1 ZINC000593233236 347873017 /nfs/dbraw/zinc/87/30/17/347873017.db2.gz MWJWRRQUSHVYBY-UHFFFAOYSA-N 1 0 249.314 2.396 10 5 BEBERO C[NH2+]C[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000596033181 348427956 /nfs/dbraw/zinc/42/79/56/348427956.db2.gz RIXVERWBTZBEPC-ZETCQYMHSA-N 1 0 243.694 2.268 10 5 BEBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382407489 350599413 /nfs/dbraw/zinc/59/94/13/350599413.db2.gz BXHRFDCTZGODFC-MWLCHTKSSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1cccc(N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382436851 350776015 /nfs/dbraw/zinc/77/60/15/350776015.db2.gz WJXUWKFDEMFPSI-QWRGUYRKSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@H]([NH3+])CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063171548 351269964 /nfs/dbraw/zinc/26/99/64/351269964.db2.gz RFVZBHNDRXUPIN-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO Cc1c(Cl)cc(C[NH3+])cc1[N+](=O)[O-] ZINC000307011347 351418932 /nfs/dbraw/zinc/41/89/32/351418932.db2.gz OWSRLXDAHJDWGB-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1c(C[NH3+])ccc(Cl)c1[N+](=O)[O-] ZINC000307269374 351819945 /nfs/dbraw/zinc/81/99/45/351819945.db2.gz NAFUYOLNZIIWTB-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1ccc(Br)c([N+](=O)[O-])c1C[NH3+] ZINC000307467326 352615990 /nfs/dbraw/zinc/61/59/90/352615990.db2.gz PMUHSAQOJZQPGA-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000044531619 358389276 /nfs/dbraw/zinc/38/92/76/358389276.db2.gz CBPPCCWEKJIIEX-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO O=[N+]([O-])c1ccc(F)cc1[C@@H]1CCC[NH2+]1 ZINC000037669231 364457518 /nfs/dbraw/zinc/45/75/18/364457518.db2.gz IGAIUYFQILMFGD-VIFPVBQESA-N 1 0 210.208 2.158 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)c1 ZINC000094663256 369865830 /nfs/dbraw/zinc/86/58/30/369865830.db2.gz YFWQFMMFYQMMAS-LLVKDONJSA-N 1 0 249.314 2.457 10 5 BEBERO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131328032 371588329 /nfs/dbraw/zinc/58/83/29/371588329.db2.gz DHRYQFLLFOFMMC-NXEZZACHSA-N 1 0 236.271 2.034 10 5 BEBERO C[C@H]([NH2+][C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131328196 371588805 /nfs/dbraw/zinc/58/88/05/371588805.db2.gz DHRYQFLLFOFMMC-UWVGGRQHSA-N 1 0 236.271 2.034 10 5 BEBERO O=[N+]([O-])c1ccccc1S[C@H]1CCC[NH2+]C1 ZINC000043501678 182952072 /nfs/dbraw/zinc/95/20/72/182952072.db2.gz CLQOIEYOJNUARQ-VIFPVBQESA-N 1 0 238.312 2.439 10 5 BEBERO CCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000001666791 169261678 /nfs/dbraw/zinc/26/16/78/169261678.db2.gz NATOCEDSZBLLGG-UHFFFAOYSA-N 1 0 208.261 2.137 10 5 BEBERO CCN(CC[N+](C)(C)C)c1ccccc1 ZINC000002003936 383944058 /nfs/dbraw/zinc/94/40/58/383944058.db2.gz GEXXZCQMJNFDHP-UHFFFAOYSA-N 1 0 207.341 2.219 10 5 BEBERO C[C@H](CC[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000336656635 384244125 /nfs/dbraw/zinc/24/41/25/384244125.db2.gz LPNFCLLTXYIQCQ-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO Cc1ccc(N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000319979076 384962942 /nfs/dbraw/zinc/96/29/42/384962942.db2.gz FOVOLGRANQPWIS-VHSXEESVSA-N 1 0 237.303 2.441 10 5 BEBERO CC[C@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336716154 385813744 /nfs/dbraw/zinc/81/37/44/385813744.db2.gz PVQOXEHLRAKSFN-QMMMGPOBSA-N 1 0 241.266 2.192 10 5 BEBERO [NH3+][C@@H](CCF)c1cc(F)ccc1[N+](=O)[O-] ZINC000575438239 387111803 /nfs/dbraw/zinc/11/18/03/387111803.db2.gz FUISUXJSXUHICN-QMMMGPOBSA-N 1 0 216.187 2.093 10 5 BEBERO C[NH+](C)CCCc1ccc([N+](=O)[O-])cc1 ZINC000027299456 388512027 /nfs/dbraw/zinc/51/20/27/388512027.db2.gz AKEKEEDXYWDVIQ-UHFFFAOYSA-N 1 0 208.261 2.089 10 5 BEBERO CC[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000301935127 388714988 /nfs/dbraw/zinc/71/49/88/388714988.db2.gz OZKNOLYBOZAOIU-UHFFFAOYSA-N 1 0 229.305 2.020 10 5 BEBERO Cc1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C[NH3+])C1 ZINC000053734926 132363542 /nfs/dbraw/zinc/36/35/42/132363542.db2.gz WQZHSOJMBIFLEZ-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO Cc1ccc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063171772 134524159 /nfs/dbraw/zinc/52/41/59/134524159.db2.gz AJFPAPGBUXUSGU-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH3+])c1 ZINC000087151076 135107978 /nfs/dbraw/zinc/10/79/78/135107978.db2.gz JKJPZXPHZUUSFW-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO CC1(C)CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261579655 135220847 /nfs/dbraw/zinc/22/08/47/135220847.db2.gz PNRVZAFVTOWMNM-LBPRGKRZSA-N 1 0 249.314 2.158 10 5 BEBERO Cc1cccc(N[C@H]2CC[C@H](C)[NH2+]C2)c1[N+](=O)[O-] ZINC000600955306 410051353 /nfs/dbraw/zinc/05/13/53/410051353.db2.gz MBBMWDHUXZEPPF-QWRGUYRKSA-N 1 0 249.314 2.456 10 5 BEBERO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044572637 167024414 /nfs/dbraw/zinc/02/44/14/167024414.db2.gz SMQPPTBLCDIZDQ-LBPRGKRZSA-N 1 0 249.314 2.489 10 5 BEBERO CC[NH2+]CCCOc1cc([N+](=O)[O-])ccc1C ZINC000035678390 170112596 /nfs/dbraw/zinc/11/25/96/170112596.db2.gz DECHKORWWWHTLV-UHFFFAOYSA-N 1 0 238.287 2.282 10 5 BEBERO CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000035414630 171356235 /nfs/dbraw/zinc/35/62/35/171356235.db2.gz CITDMCFIEFTMRW-VIFPVBQESA-N 1 0 238.287 2.492 10 5 BEBERO CC[C@H]([NH3+])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000075416915 171490394 /nfs/dbraw/zinc/49/03/94/171490394.db2.gz AOIBKCNYXGFHMT-QMMMGPOBSA-N 1 0 210.233 2.013 10 5 BEBERO C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000039110209 173022832 /nfs/dbraw/zinc/02/28/32/173022832.db2.gz UUUUSXUSFHOGFQ-LLVKDONJSA-N 1 0 220.272 2.404 10 5 BEBERO C[NH2+][C@H](C)CCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038001016 173445762 /nfs/dbraw/zinc/44/57/62/173445762.db2.gz INSBBOSWLUNXCT-SECBINFHSA-N 1 0 238.287 2.144 10 5 BEBERO C[NH2+][C@H](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000037949256 173447738 /nfs/dbraw/zinc/44/77/38/173447738.db2.gz LHXLQCUGOVQEAO-NXEZZACHSA-N 1 0 222.288 2.381 10 5 BEBERO COc1ccc(C[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000037947525 175116037 /nfs/dbraw/zinc/11/60/37/175116037.db2.gz MAAAEOZWKNSJMJ-BDAKNGLRSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@H]1C[C@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000104412218 177379240 /nfs/dbraw/zinc/37/92/40/177379240.db2.gz AXZSESKITPVNCQ-UWVGGRQHSA-N 1 0 249.314 2.265 10 5 BEBERO C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12 ZINC000002572276 177487125 /nfs/dbraw/zinc/48/71/25/177487125.db2.gz HIYGARYIJIZXGW-UHFFFAOYSA-O 1 0 219.308 2.122 10 5 in-vitro BEBERO CCCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000109393305 588559863 /nfs/dbraw/zinc/55/98/63/588559863.db2.gz QBAJFMHFHBDIEG-CYBMUJFWSA-N 1 0 249.314 2.173 10 5 BEBERO C[C@@H]([NH3+])CN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000309213056 631963891 /nfs/dbraw/zinc/96/38/91/631963891.db2.gz TXGRDYQWYIMWKP-SSDOTTSWSA-N 1 0 243.694 2.032 10 5 BEBERO Cc1c(C[NH2+][C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000052278720 632115920 /nfs/dbraw/zinc/11/59/20/632115920.db2.gz LRUMENPAESATEJ-LDYMZIIASA-N 1 0 220.272 2.401 10 5 BEBERO Cc1c(C[NH2+][C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000052278716 635729856 /nfs/dbraw/zinc/72/98/56/635729856.db2.gz LRUMENPAESATEJ-GZMMTYOYSA-N 1 0 220.272 2.401 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH3+])C1 ZINC000044531779 640400579 /nfs/dbraw/zinc/40/05/79/640400579.db2.gz DMFCXNURPKMTJL-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253184824 644941606 /nfs/dbraw/zinc/94/16/06/644941606.db2.gz HSELBJRREHXJGG-GHMZBOCLSA-N 1 0 249.314 2.016 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](CC[NH3+])C1 ZINC000723675134 711533003 /nfs/dbraw/zinc/53/30/03/711533003.db2.gz MQGBKWYZPJOCPY-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO C[N+](C)(CC#N)C/C=C/c1ccccc1 ZINC000000330667 717087827 /nfs/dbraw/zinc/08/78/27/717087827.db2.gz UUIXZADCZPKSQI-RMKNXTFCSA-N 1 0 201.293 2.300 10 5 BEBERO C[C@@]1(c2ccccc2)OCO/C1=C/C[N+](C)(C)C ZINC000006468532 717104642 /nfs/dbraw/zinc/10/46/42/717104642.db2.gz JPNCZPWWFQNQJI-IPJDOKCGSA-N 1 0 248.346 2.496 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320130713 342732527 /nfs/dbraw/zinc/73/25/27/342732527.db2.gz QVVJMRMCSUVPOQ-ZJUUUORDSA-N 1 0 237.303 2.441 10 5 BEBERO Cn1cc(CC[NH+](C)C)c2cc([N+](=O)[O-])ccc21 ZINC000145501807 342761623 /nfs/dbraw/zinc/76/16/23/342761623.db2.gz DJRUJUJZXFNWJF-UHFFFAOYSA-N 1 0 247.298 2.191 10 5 BEBERO CC[C@@H]([NH3+])CNc1cccc(C)c1[N+](=O)[O-] ZINC000233893275 342895268 /nfs/dbraw/zinc/89/52/68/342895268.db2.gz CFAYRJNRAWOYKR-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO C[NH+](C)/C=C/c1ccc([N+](=O)[O-])c(F)c1 ZINC000165582291 343183929 /nfs/dbraw/zinc/18/39/29/343183929.db2.gz CDVFQOMFWPTMKB-AATRIKPKSA-N 1 0 210.208 2.266 10 5 BEBERO Cc1cc(N[C@H](C)[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000381414730 344503317 /nfs/dbraw/zinc/50/33/17/344503317.db2.gz YUFJZOVWPOXRIP-JGVFFNPUSA-N 1 0 241.266 2.190 10 5 BEBERO C[C@H]([NH3+])[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000381530744 344518198 /nfs/dbraw/zinc/51/81/98/344518198.db2.gz AMNHYMYQRQTALP-BQBZGAKWSA-N 1 0 243.694 2.396 10 5 BEBERO [NH3+][C@@H](CF)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000238573802 345078603 /nfs/dbraw/zinc/07/86/03/345078603.db2.gz KVXAYTLVCAUXEO-ZETCQYMHSA-N 1 0 218.615 2.218 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N1CCC(C[NH3+])CC1 ZINC000158932604 346277705 /nfs/dbraw/zinc/27/77/05/346277705.db2.gz MHBADQKYHXGJND-UHFFFAOYSA-N 1 0 249.314 2.078 10 5 BEBERO C[NH2+]C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000596032220 348427399 /nfs/dbraw/zinc/42/73/99/348427399.db2.gz JPOSICSFBYROPY-ZETCQYMHSA-N 1 0 243.694 2.268 10 5 BEBERO CC[NH2+][C@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000395733305 323240772 /nfs/dbraw/zinc/24/07/72/323240772.db2.gz ZWMVKRJEHXMWKQ-SNVBAGLBSA-N 1 0 237.303 2.313 10 5 BEBERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000382407482 350599572 /nfs/dbraw/zinc/59/95/72/350599572.db2.gz BXHRFDCTZGODFC-KOLCDFICSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1cc(N[C@@H](C)CC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336682393 191125371 /nfs/dbraw/zinc/12/53/71/191125371.db2.gz DYJQPMUHMSOOCW-QMMMGPOBSA-N 1 0 241.266 2.192 10 5 BEBERO Cc1cc([N+](=O)[O-])cc(Cl)c1C[NH3+] ZINC000306909049 351321407 /nfs/dbraw/zinc/32/14/07/351321407.db2.gz GBDCQCBPFRDGMF-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc([N+](=O)[O-])cc(C[NH3+])c1Cl ZINC000307033654 351434007 /nfs/dbraw/zinc/43/40/07/351434007.db2.gz TUMMPDQNHRMAEJ-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000307141585 351500298 /nfs/dbraw/zinc/50/02/98/351500298.db2.gz BTJYAFFTXCGRTK-UHFFFAOYSA-N 1 0 245.076 2.077 10 5 BEBERO Cc1cc(NC[C@H](C)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000420207389 192175397 /nfs/dbraw/zinc/17/53/97/192175397.db2.gz ABGBDXCSUGCEEH-SSDOTTSWSA-N 1 0 241.266 2.049 10 5 BEBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000044572647 188123866 /nfs/dbraw/zinc/12/38/66/188123866.db2.gz WDTNMMNMYKUPGF-LLVKDONJSA-N 1 0 249.314 2.489 10 5 BEBERO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000053204748 355779012 /nfs/dbraw/zinc/77/90/12/355779012.db2.gz VJOPVLQHZSPBAY-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO C[C@@H]1Cc2ccc([N+](=O)[O-])cc2[C@H]([NH3+])C1 ZINC000675078229 538514645 /nfs/dbraw/zinc/51/46/45/538514645.db2.gz NZRAWSUOMHMQNK-RDDDGLTNSA-N 1 0 206.245 2.177 10 5 BEBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000389724670 356930040 /nfs/dbraw/zinc/93/00/40/356930040.db2.gz JQKKLJNNDFCXNT-CABZTGNLSA-N 1 0 235.287 2.005 10 5 BEBERO Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000389729553 357090828 /nfs/dbraw/zinc/09/08/28/357090828.db2.gz OKLGVPROAFTGTP-CABZTGNLSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000389729552 357090922 /nfs/dbraw/zinc/09/09/22/357090922.db2.gz OKLGVPROAFTGTP-BXKDBHETSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1cc(N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000044531617 358389613 /nfs/dbraw/zinc/38/96/13/358389613.db2.gz CBPPCCWEKJIIEX-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO [NH3+]CCc1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000041201905 181413750 /nfs/dbraw/zinc/41/37/50/181413750.db2.gz HWCSNUUUMKRUEN-UHFFFAOYSA-N 1 0 249.295 2.220 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH2+]CC2)c1 ZINC000094663259 369573935 /nfs/dbraw/zinc/57/39/35/369573935.db2.gz LXBRYFFYXNFLJS-UHFFFAOYSA-N 1 0 249.314 2.315 10 5 BEBERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000038050642 181642013 /nfs/dbraw/zinc/64/20/13/181642013.db2.gz DELAZOQYRNOBLS-NWDGAFQWSA-N 1 0 235.287 2.277 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000600952449 371713032 /nfs/dbraw/zinc/71/30/32/371713032.db2.gz WSYIYCQYYHEMHO-WDEREUQCSA-N 1 0 249.314 2.456 10 5 BEBERO Cc1cccc(N[C@@H]2CC[NH2+][C@H]2C)c1[N+](=O)[O-] ZINC000600957793 371713505 /nfs/dbraw/zinc/71/35/05/371713505.db2.gz KLGVFHJYTBXXKC-VHSXEESVSA-N 1 0 235.287 2.066 10 5 BEBERO [NH3+][C@H]1CCCCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000600958480 371714835 /nfs/dbraw/zinc/71/48/35/371714835.db2.gz FYHMYNIPISYZMB-NSHDSACASA-N 1 0 249.314 2.303 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600956327 371715032 /nfs/dbraw/zinc/71/50/32/371715032.db2.gz ZPGDGEUWSGGEFD-MNOVXSKESA-N 1 0 249.314 2.456 10 5 BEBERO Cc1cc([N+](=O)[O-])c(Br)cc1C[NH3+] ZINC000306913772 372077102 /nfs/dbraw/zinc/07/71/02/372077102.db2.gz PXVXUUXIDUKIDN-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO O=[N+]([O-])c1cccc(CC2CC[NH2+]CC2)c1 ZINC000084922734 182944394 /nfs/dbraw/zinc/94/43/94/182944394.db2.gz JZKTYKWANLIKBV-UHFFFAOYSA-N 1 0 220.272 2.137 10 5 BEBERO O=[N+]([O-])c1cccc([C@H]2C[C@H]2C[NH2+]C2CC2)c1 ZINC000054595749 182948533 /nfs/dbraw/zinc/94/85/33/182948533.db2.gz WQYUFZUUJRDVMJ-GXFFZTMASA-N 1 0 232.283 2.450 10 5 BEBERO C[C@H](CC[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000336652710 384245927 /nfs/dbraw/zinc/24/59/27/384245927.db2.gz IVFYKQHQXANPKW-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044572639 384344699 /nfs/dbraw/zinc/34/46/99/384344699.db2.gz SMQPPTBLCDIZDQ-GFCCVEGCSA-N 1 0 249.314 2.489 10 5 BEBERO Cc1ccc(N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000309221812 384471070 /nfs/dbraw/zinc/47/10/70/384471070.db2.gz GWLVUKCVLAUUHV-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cccc(N[C@H](C)C[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC000320374216 384687492 /nfs/dbraw/zinc/68/74/92/384687492.db2.gz RECMVVJQXJRMCG-NXEZZACHSA-N 1 0 237.303 2.441 10 5 BEBERO CC[NH2+][C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000395697065 385233047 /nfs/dbraw/zinc/23/30/47/385233047.db2.gz JHGUHVOKEUWUDQ-SNVBAGLBSA-N 1 0 237.303 2.313 10 5 BEBERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000052272261 385714326 /nfs/dbraw/zinc/71/43/26/385714326.db2.gz DEFZRTPVOWDTIY-LDYMZIIASA-N 1 0 206.245 2.093 10 5 BEBERO CC[C@@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336716152 385813965 /nfs/dbraw/zinc/81/39/65/385813965.db2.gz PVQOXEHLRAKSFN-MRVPVSSYSA-N 1 0 241.266 2.192 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000319980507 386398518 /nfs/dbraw/zinc/39/85/18/386398518.db2.gz FTWAECGHNFDCBI-ZJUUUORDSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000250971308 132304036 /nfs/dbraw/zinc/30/40/36/132304036.db2.gz AYFWESCZVYCQEB-GHMZBOCLSA-N 1 0 249.314 2.090 10 5 BEBERO Cc1cccc(N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000235923000 132427971 /nfs/dbraw/zinc/42/79/71/132427971.db2.gz PJBKROMXRMGTOM-UHFFFAOYSA-N 1 0 249.314 2.078 10 5 BEBERO C[C@H](CCC[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000336644888 397948738 /nfs/dbraw/zinc/94/87/38/397948738.db2.gz CPJICZZFJRJBMR-SECBINFHSA-N 1 0 223.276 2.134 10 5 BEBERO CC[NH+](CC)CCNc1cccc([N+](=O)[O-])c1 ZINC000035367414 169782428 /nfs/dbraw/zinc/78/24/28/169782428.db2.gz MVLJBDOUQKZDAD-UHFFFAOYSA-N 1 0 237.303 2.349 10 5 BEBERO CC[N@@H+]1CC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328191710 170014604 /nfs/dbraw/zinc/01/46/04/170014604.db2.gz PPBWJSMVNNLXKZ-LLVKDONJSA-N 1 0 249.314 2.409 10 5 BEBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1C ZINC000038043431 170112406 /nfs/dbraw/zinc/11/24/06/170112406.db2.gz WPNHYDHLLKUYJK-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO C[NH2+][C@@H](C)CCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038001015 173415049 /nfs/dbraw/zinc/41/50/49/173415049.db2.gz INSBBOSWLUNXCT-VIFPVBQESA-N 1 0 238.287 2.144 10 5 BEBERO COc1ccc(C[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000071424742 175115682 /nfs/dbraw/zinc/11/56/82/175115682.db2.gz CORVMRWTGZAWKL-SNVBAGLBSA-N 1 0 238.287 2.129 10 5 BEBERO COc1ccc(C[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000037947522 175117020 /nfs/dbraw/zinc/11/70/20/175117020.db2.gz MAAAEOZWKNSJMJ-DTWKUNHWSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000104413788 176391384 /nfs/dbraw/zinc/39/13/84/176391384.db2.gz FDYGUTHIVHXYAW-MWLCHTKSSA-N 1 0 249.314 2.265 10 5 BEBERO C[N+](C)(C)CCOc1ccc(Cl)cc1 ZINC000001873058 177486060 /nfs/dbraw/zinc/48/60/60/177486060.db2.gz FHLNDNYRBPGDJO-UHFFFAOYSA-N 1 0 214.716 2.425 10 5 BEBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000320674551 323183200 /nfs/dbraw/zinc/18/32/00/323183200.db2.gz KCPARGMZAQMZNW-YUMQZZPRSA-N 1 0 241.266 2.272 10 5 BEBERO CC[C@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757175539 586433077 /nfs/dbraw/zinc/43/30/77/586433077.db2.gz AOGQOXWLBYYVRD-NXEZZACHSA-N 1 0 222.244 2.074 10 5 BEBERO CC[C@@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757176051 586433603 /nfs/dbraw/zinc/43/36/03/586433603.db2.gz WJUZYETTWUEGKU-WCBMZHEXSA-N 1 0 222.244 2.074 10 5 BEBERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])cc1Cl ZINC000133824822 591861812 /nfs/dbraw/zinc/86/18/12/591861812.db2.gz VQBCPMNLOBVTOL-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216194500 592012900 /nfs/dbraw/zinc/01/29/00/592012900.db2.gz JYGCXVIRQHRZHC-WDEREUQCSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216194454 631287034 /nfs/dbraw/zinc/28/70/34/631287034.db2.gz JYGCXVIRQHRZHC-QWRGUYRKSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@@H](C[NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000309422026 633049715 /nfs/dbraw/zinc/04/97/15/633049715.db2.gz YDOCRHGUPDOBOF-ZETCQYMHSA-N 1 0 243.694 2.255 10 5 BEBERO C[C@H]([NH3+])C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000320722140 636381295 /nfs/dbraw/zinc/38/12/95/636381295.db2.gz RLPKARSRYQDEPJ-YUMQZZPRSA-N 1 0 241.266 2.272 10 5 BEBERO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163998691 640433464 /nfs/dbraw/zinc/43/34/64/640433464.db2.gz HSELBJRREHXJGG-QWRGUYRKSA-N 1 0 249.314 2.016 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[NH2+]CC1(C)C ZINC000721871904 711793113 /nfs/dbraw/zinc/79/31/13/711793113.db2.gz KFPFGZUPABLZHT-LBPRGKRZSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715073006 712505984 /nfs/dbraw/zinc/50/59/84/712505984.db2.gz DRQYDLOHWCZLBB-AOOOYVTPSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc(NCC2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000715091758 712507850 /nfs/dbraw/zinc/50/78/50/712507850.db2.gz AOZICBCCLLQMEF-UHFFFAOYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc(N2C[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000720833956 712868950 /nfs/dbraw/zinc/86/89/50/712868950.db2.gz IEJRTDIFSNRJMA-LBPRGKRZSA-N 1 0 249.314 2.077 10 5 BEBERO C[N+]1(CCc2ccccn2)CCCCC1 ZINC000031555136 717119755 /nfs/dbraw/zinc/11/97/55/717119755.db2.gz SQEMHZGPNJAKPV-UHFFFAOYSA-N 1 0 205.325 2.255 10 5 BEBERO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000216226008 178120616 /nfs/dbraw/zinc/12/06/16/178120616.db2.gz VPHLBWXXYMAFNT-WDEREUQCSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1[C@H]1CCC[NH2+]1 ZINC000044747729 178273522 /nfs/dbraw/zinc/27/35/22/178273522.db2.gz YTACBHGDLXZJIE-LLVKDONJSA-N 1 0 206.245 2.328 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000320130709 342732406 /nfs/dbraw/zinc/73/24/06/342732406.db2.gz QVVJMRMCSUVPOQ-UWVGGRQHSA-N 1 0 237.303 2.441 10 5 BEBERO [NH3+][C@H]1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000093212761 398313781 /nfs/dbraw/zinc/31/37/81/398313781.db2.gz JJJTZBORJSMGGI-UWVGGRQHSA-N 1 0 235.287 2.277 10 5 BEBERO CC[C@H]([NH3+])CNc1cccc(C)c1[N+](=O)[O-] ZINC000234028409 343058085 /nfs/dbraw/zinc/05/80/85/343058085.db2.gz CFAYRJNRAWOYKR-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO CC[C@H]([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000234027609 343060144 /nfs/dbraw/zinc/06/01/44/343060144.db2.gz JIPBUVDOUPTZBW-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO O=[N+]([O-])c1cc([C@@H]2CCC[NH2+]2)ccc1F ZINC000072201999 343069242 /nfs/dbraw/zinc/06/92/42/343069242.db2.gz OHROAQNVAJLFJV-VIFPVBQESA-N 1 0 210.208 2.158 10 5 BEBERO [NH3+]Cc1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000247636627 344359300 /nfs/dbraw/zinc/35/93/00/344359300.db2.gz DWRXESWUXJMAHK-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO CCn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000050608542 344721534 /nfs/dbraw/zinc/72/15/34/344721534.db2.gz ACQQEKUKWCEBAP-UHFFFAOYSA-N 1 0 246.270 2.423 10 5 BEBERO C[C@H]([NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000235488709 344923660 /nfs/dbraw/zinc/92/36/60/344923660.db2.gz SZERNDAJKDJCDT-LURJTMIESA-N 1 0 229.667 2.007 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)CC[NH3+] ZINC000309456132 179206231 /nfs/dbraw/zinc/20/62/31/179206231.db2.gz POGUDMATJJHJHA-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1 ZINC000596030170 348425973 /nfs/dbraw/zinc/42/59/73/348425973.db2.gz MHPXSSALJJLFGR-GFCCVEGCSA-N 1 0 237.303 2.380 10 5 BEBERO C[NH2+]C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000596033270 348428084 /nfs/dbraw/zinc/42/80/84/348428084.db2.gz SJWWXYMWUZDNQG-QMMMGPOBSA-N 1 0 241.266 2.062 10 5 BEBERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000040503225 350369766 /nfs/dbraw/zinc/36/97/66/350369766.db2.gz WAZNWUKTMMMMRG-LBPRGKRZSA-N 1 0 249.314 2.491 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382429010 350776073 /nfs/dbraw/zinc/77/60/73/350776073.db2.gz OQRSFKJELYOJOC-QWRGUYRKSA-N 1 0 249.314 2.443 10 5 BEBERO O=[N+]([O-])c1ccccc1OCCC[NH2+]C1CC1 ZINC000034963738 351367606 /nfs/dbraw/zinc/36/76/06/351367606.db2.gz QTQISSILJWRTTL-UHFFFAOYSA-N 1 0 236.271 2.116 10 5 BEBERO Cc1c([N+](=O)[O-])ccc(Cl)c1C[NH3+] ZINC000307274085 351829570 /nfs/dbraw/zinc/82/95/70/351829570.db2.gz YIOXFBNHEIXPRS-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO [NH3+]Cc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000307607106 352668525 /nfs/dbraw/zinc/66/85/25/352668525.db2.gz BEMMKOUIUKOCAY-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1cccc(NC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000232711015 353266800 /nfs/dbraw/zinc/26/68/00/353266800.db2.gz RQHNZKYGGBUUKA-JTQLQIEISA-N 1 0 237.303 2.298 10 5 BEBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000389724681 356930484 /nfs/dbraw/zinc/93/04/84/356930484.db2.gz JQKKLJNNDFCXNT-SKDRFNHKSA-N 1 0 235.287 2.005 10 5 BEBERO Cc1ccc(N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000389732917 357089373 /nfs/dbraw/zinc/08/93/73/357089373.db2.gz RQYJQIKAWDKTDU-ZYHUDNBSSA-N 1 0 249.314 2.313 10 5 BEBERO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000054223474 359688072 /nfs/dbraw/zinc/68/80/72/359688072.db2.gz AJPVRKFEKKLSNE-UHFFFAOYSA-N 1 0 226.301 2.498 10 5 BEBERO [NH3+][C@H](CF)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000238684739 361179209 /nfs/dbraw/zinc/17/92/09/361179209.db2.gz KVXAYTLVCAUXEO-SSDOTTSWSA-N 1 0 218.615 2.218 10 5 BEBERO COC(=O)c1ccc(C[N@@+]2(C)N=C(C)C=C2C)o1 ZINC000239439027 361586737 /nfs/dbraw/zinc/58/67/37/361586737.db2.gz ZIULQPNWGARUHK-OAHLLOKOSA-N 1 0 249.290 2.306 10 5 BEBERO [NH3+]C1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000036268802 181340572 /nfs/dbraw/zinc/34/05/72/181340572.db2.gz GRPCSISSHUPBOY-UHFFFAOYSA-N 1 0 241.678 2.150 10 5 BEBERO C/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000214869828 363849493 /nfs/dbraw/zinc/84/94/93/363849493.db2.gz IAZWJSGUXQGMOB-IHWYPQMZSA-N 1 0 206.245 2.261 10 5 BEBERO O=[N+]([O-])[C@@]1(c2ccccc2)CC[C@@H]2CCC[N@@H+]2C1 ZINC000114691996 368947433 /nfs/dbraw/zinc/94/74/33/368947433.db2.gz DDXFLZNPVAJFQN-KBPBESRZSA-N 1 0 246.310 2.417 10 5 BEBERO [NH3+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000044236384 181482226 /nfs/dbraw/zinc/48/22/26/181482226.db2.gz YEPQBZHQKFWZPL-UHFFFAOYSA-N 1 0 220.150 2.072 10 5 BEBERO [NH3+][C@@H]1CN(C2CCCC2)c2ccc([N+](=O)[O-])cc21 ZINC000019795916 371189618 /nfs/dbraw/zinc/18/96/18/371189618.db2.gz RJTDKWRNUOEIQS-GFCCVEGCSA-N 1 0 247.298 2.357 10 5 BEBERO [NH3+][C@H]1CCCC[C@H]1Nc1cccc([N+](=O)[O-])c1 ZINC000038050862 181642735 /nfs/dbraw/zinc/64/27/35/181642735.db2.gz ZJXWLEBHDLLDTM-NWDGAFQWSA-N 1 0 235.287 2.277 10 5 BEBERO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000133305291 372020717 /nfs/dbraw/zinc/02/07/17/372020717.db2.gz QUMKMGSBTJEQPZ-GFCCVEGCSA-N 1 0 249.314 2.091 10 5 BEBERO O=[N+]([O-])c1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000084493054 182931513 /nfs/dbraw/zinc/93/15/13/182931513.db2.gz UDVJJHMQTMCXAP-NSHDSACASA-N 1 0 220.272 2.279 10 5 BEBERO CCC[NH2+]CCOc1cccc([N+](=O)[O-])c1C ZINC000035283329 169260650 /nfs/dbraw/zinc/26/06/50/169260650.db2.gz JQEMUOIWHXBHNW-UHFFFAOYSA-N 1 0 238.287 2.282 10 5 BEBERO CCOC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000044689957 384661067 /nfs/dbraw/zinc/66/10/67/384661067.db2.gz DMYDOTTZWIPGGU-JTQLQIEISA-N 1 0 238.287 2.109 10 5 BEBERO O=[N+]([O-])c1cc(F)ccc1[C@H]1CCC[NH2+]1 ZINC000072202002 384811122 /nfs/dbraw/zinc/81/11/22/384811122.db2.gz URQCBADENKPAHV-SECBINFHSA-N 1 0 210.208 2.158 10 5 BEBERO Cc1cc(NCC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000596026336 388400505 /nfs/dbraw/zinc/40/05/05/388400505.db2.gz HLOHQVMKKBVGLL-UHFFFAOYSA-N 1 0 247.298 2.067 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NCC23CC(C2)C[NH2+]3)c1 ZINC000596026714 388400551 /nfs/dbraw/zinc/40/05/51/388400551.db2.gz KVRCJYNPPNQKQV-UHFFFAOYSA-N 1 0 247.298 2.067 10 5 BEBERO CC[NH+](CC)CCc1cccc([N+](=O)[O-])c1 ZINC000065740244 388678392 /nfs/dbraw/zinc/67/83/92/388678392.db2.gz MGOKLRJHSRUNBC-UHFFFAOYSA-N 1 0 222.288 2.479 10 5 in-vitro BEBERO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH3+])CC2)c1 ZINC000094663260 132239259 /nfs/dbraw/zinc/23/92/59/132239259.db2.gz AXYXWIXRSUAAMY-UHFFFAOYSA-N 1 0 249.314 2.078 10 5 BEBERO C[C@@H]([NH3+])C1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000104129078 132434389 /nfs/dbraw/zinc/43/43/89/132434389.db2.gz WJCVNMIQAVRYOS-SNVBAGLBSA-N 1 0 249.314 2.158 10 5 BEBERO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000044509178 322841279 /nfs/dbraw/zinc/84/12/79/322841279.db2.gz ANKIZQGDDQZPBU-UHFFFAOYSA-N 1 0 235.287 2.006 10 5 BEBERO Cc1ccc(N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000216191480 133963242 /nfs/dbraw/zinc/96/32/42/133963242.db2.gz GUSQWPJPGYPGSB-QWRGUYRKSA-N 1 0 249.314 2.077 10 5 BEBERO CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050792134 168184718 /nfs/dbraw/zinc/18/47/18/168184718.db2.gz FWWKMTUJWZPIPG-UHFFFAOYSA-N 1 0 249.314 2.409 10 5 BEBERO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328455385 170013659 /nfs/dbraw/zinc/01/36/59/170013659.db2.gz FEKCXEOBXBCTQF-LLVKDONJSA-N 1 0 235.287 2.101 10 5 BEBERO CC[NH2+]CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000038043404 170112844 /nfs/dbraw/zinc/11/28/44/170112844.db2.gz SEZRLYJTKVHKDB-UHFFFAOYSA-N 1 0 241.266 2.145 10 5 BEBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000050517032 170127774 /nfs/dbraw/zinc/12/77/74/170127774.db2.gz PRVGVGDCYKMKII-UHFFFAOYSA-N 1 0 246.213 2.306 10 5 BEBERO C[NH2+]CCc1ccc([N+](=O)[O-])cc1Cl ZINC000053301989 173360005 /nfs/dbraw/zinc/36/00/05/173360005.db2.gz OYICFHOGUIWMOQ-UHFFFAOYSA-N 1 0 214.652 2.010 10 5 BEBERO C[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003710584 173395297 /nfs/dbraw/zinc/39/52/97/173395297.db2.gz ZAJCQRCJBXNORC-UHFFFAOYSA-N 1 0 249.295 2.438 10 5 BEBERO COc1ccc([N+](=O)[O-])cc1C[C@@H](C)[C@H](C)[NH3+] ZINC000037947429 175200956 /nfs/dbraw/zinc/20/09/56/175200956.db2.gz MHJSCVVARLHPEI-BDAKNGLRSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@H]([NH3+])c1cc([N+](=O)[O-])c(F)cc1Cl ZINC000083592131 176775781 /nfs/dbraw/zinc/77/57/81/176775781.db2.gz CMRMSYHVJVYITI-BYPYZUCNSA-N 1 0 218.615 2.407 10 5 BEBERO C[C@H]1CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050791645 177109987 /nfs/dbraw/zinc/10/99/87/177109987.db2.gz YHAWMLRBHFLBRO-VIFPVBQESA-N 1 0 235.287 2.161 10 5 BEBERO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000104413791 177342522 /nfs/dbraw/zinc/34/25/22/177342522.db2.gz FDYGUTHIVHXYAW-GXSJLCMTSA-N 1 0 249.314 2.265 10 5 BEBERO C[C@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000052272263 177385257 /nfs/dbraw/zinc/38/52/57/177385257.db2.gz DEFZRTPVOWDTIY-GZMMTYOYSA-N 1 0 206.245 2.093 10 5 BEBERO C[C@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052278684 177385612 /nfs/dbraw/zinc/38/56/12/177385612.db2.gz VEGISBHSGYZWGJ-OIBJUYFYSA-N 1 0 224.235 2.232 10 5 BEBERO C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000082576199 325543086 /nfs/dbraw/zinc/54/30/86/325543086.db2.gz XSJBDONDVZYQGI-ZCFIWIBFSA-N 1 0 229.667 2.007 10 5 BEBERO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000147537296 488034541 /nfs/dbraw/zinc/03/45/41/488034541.db2.gz OAMJZVPEILIKFB-QWRGUYRKSA-N 1 0 249.314 2.158 10 5 BEBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122964231 589645991 /nfs/dbraw/zinc/64/59/91/589645991.db2.gz YWCMFIJLSRUQPM-GWCFXTLKSA-N 1 0 249.314 2.158 10 5 BEBERO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000093874588 635131855 /nfs/dbraw/zinc/13/18/55/635131855.db2.gz KWJVZFDCAXWDHL-UHFFFAOYSA-N 1 0 237.303 2.016 10 5 BEBERO C[C@H]([NH3+])CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429295 640873980 /nfs/dbraw/zinc/87/39/80/640873980.db2.gz KSVKPFFSCDNNSF-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070174870 642987792 /nfs/dbraw/zinc/98/77/92/642987792.db2.gz FVJVWEDIKNJYBI-GHMZBOCLSA-N 1 0 249.314 2.158 10 5 BEBERO CC(C)[C@H]([NH3+])CNc1cccc(F)c1[N+](=O)[O-] ZINC000070447954 643025108 /nfs/dbraw/zinc/02/51/08/643025108.db2.gz BXONBIKLWVAMQK-SECBINFHSA-N 1 0 241.266 2.129 10 5 BEBERO CCN(c1ccc(C)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071314435 643126384 /nfs/dbraw/zinc/12/63/84/643126384.db2.gz XHEKWJLOKBODPQ-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253184825 644940888 /nfs/dbraw/zinc/94/08/88/644940888.db2.gz HSELBJRREHXJGG-WDEREUQCSA-N 1 0 249.314 2.016 10 5 BEBERO Cc1ccc(N2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000723674919 711532922 /nfs/dbraw/zinc/53/29/22/711532922.db2.gz JNZBAUNCKXBDFK-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]CC1(C)C ZINC000721877493 711794669 /nfs/dbraw/zinc/79/46/69/711794669.db2.gz ZAJNVAHIZYUYLC-NSHDSACASA-N 1 0 249.314 2.313 10 5 BEBERO C[NH2+]C[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000701898976 712032011 /nfs/dbraw/zinc/03/20/11/712032011.db2.gz MXEKLKYLZZPZJV-SSDOTTSWSA-N 1 0 243.694 2.268 10 5 BEBERO CCC1([NH3+])CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000714753358 712497097 /nfs/dbraw/zinc/49/70/97/712497097.db2.gz ZFPYTJLLMXEIOO-UHFFFAOYSA-N 1 0 249.314 2.303 10 5 BEBERO Cc1cc(NC[C@H]2C[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000715094047 712508118 /nfs/dbraw/zinc/50/81/18/712508118.db2.gz PWDLDBUESWNMJD-MGCOHNPYSA-N 1 0 235.287 2.052 10 5 BEBERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000721031920 712887714 /nfs/dbraw/zinc/88/77/14/712887714.db2.gz SFJRBUSBHVIXQX-GHMZBOCLSA-N 1 0 249.314 2.252 10 5 BEBERO C[N+](C)(C)C[C@H]1CCc2ccccc2C1=O ZINC000005849351 717102728 /nfs/dbraw/zinc/10/27/28/717102728.db2.gz DOJYORDDXXPGEI-GFCCVEGCSA-N 1 0 218.320 2.138 10 5 BEBERO C[C@]1(c2ccccc2)OCO/C1=C/C[N+](C)(C)C ZINC000034855898 717124724 /nfs/dbraw/zinc/12/47/24/717124724.db2.gz JPNCZPWWFQNQJI-YVGNARHYSA-N 1 0 248.346 2.496 10 5 BEBERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000320127347 342732440 /nfs/dbraw/zinc/73/24/40/342732440.db2.gz QKDWVBDAHQVTBN-UWVGGRQHSA-N 1 0 237.303 2.441 10 5 BEBERO CC[NH2+]CCCNc1cccc(C)c1[N+](=O)[O-] ZINC000233511802 342871875 /nfs/dbraw/zinc/87/18/75/342871875.db2.gz IZZIIIAKKZEDLG-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO CC(C)(C[NH3+])c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000116252276 342922916 /nfs/dbraw/zinc/92/29/16/342922916.db2.gz LWZFGJCOILRCEA-UHFFFAOYSA-N 1 0 233.271 2.312 10 5 BEBERO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000381414735 344503082 /nfs/dbraw/zinc/50/30/82/344503082.db2.gz YUFJZOVWPOXRIP-YUMQZZPRSA-N 1 0 241.266 2.190 10 5 BEBERO CC[NH2+]CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000310518288 344759897 /nfs/dbraw/zinc/75/98/97/344759897.db2.gz SLIFKQXJUKLYHW-UHFFFAOYSA-N 1 0 241.266 2.145 10 5 BEBERO CC1(C)C[C@@H]([NH3+])c2cc([N+](=O)[O-])ccc2O1 ZINC000011848990 345033982 /nfs/dbraw/zinc/03/39/82/345033982.db2.gz YICIWICNCXJAPO-SECBINFHSA-N 1 0 222.244 2.156 10 5 BEBERO [NH3+]Cc1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000238684565 345109338 /nfs/dbraw/zinc/10/93/38/345109338.db2.gz CLWJHBCSYMYLFP-UHFFFAOYSA-N 1 0 220.150 2.072 10 5 BEBERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cc1 ZINC000214940920 345741795 /nfs/dbraw/zinc/74/17/95/345741795.db2.gz CGWVSUAKYMWZBI-UHFFFAOYSA-N 1 0 237.303 2.395 10 5 BEBERO CC(C)[C@@H]([NH3+])CNc1ccc(F)cc1[N+](=O)[O-] ZINC000070447851 345717012 /nfs/dbraw/zinc/71/70/12/345717012.db2.gz PTNZCOULMYNDRD-VIFPVBQESA-N 1 0 241.266 2.129 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH3+])c1 ZINC000309440281 178931016 /nfs/dbraw/zinc/93/10/16/178931016.db2.gz LJNWHLQMGUPBTN-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382429011 350776123 /nfs/dbraw/zinc/77/61/23/350776123.db2.gz OQRSFKJELYOJOC-WDEREUQCSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382436848 350776257 /nfs/dbraw/zinc/77/62/57/350776257.db2.gz WJXUWKFDEMFPSI-GHMZBOCLSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382435367 350776404 /nfs/dbraw/zinc/77/64/04/350776404.db2.gz VGADIUYNDQYUTC-ZYHUDNBSSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@H](C[NH3+])N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000382970700 351120595 /nfs/dbraw/zinc/12/05/95/351120595.db2.gz IUBYRHHEBXNDOV-SSDOTTSWSA-N 1 0 243.694 2.032 10 5 BEBERO [NH3+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000306838773 351149271 /nfs/dbraw/zinc/14/92/71/351149271.db2.gz XQGJKQVNKZSMLN-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1cc(C[NH3+])c(Cl)cc1[N+](=O)[O-] ZINC000306825296 351135123 /nfs/dbraw/zinc/13/51/23/351135123.db2.gz XNASQLFBLMVPDB-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1ccc(N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000319979071 323526385 /nfs/dbraw/zinc/52/63/85/323526385.db2.gz FOVOLGRANQPWIS-UWVGGRQHSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cc(Cl)c([N+](=O)[O-])cc1C[NH3+] ZINC000307112210 351484993 /nfs/dbraw/zinc/48/49/93/351484993.db2.gz PHAWZJLBNSQEML-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc(Cl)cc(C[NH3+])c1[N+](=O)[O-] ZINC000307638586 352726570 /nfs/dbraw/zinc/72/65/70/352726570.db2.gz YEMYQYVAUDUKAA-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO CC(C)[C@H]([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000336715531 188084413 /nfs/dbraw/zinc/08/44/13/188084413.db2.gz SPAYINCHJUPJRG-SECBINFHSA-N 1 0 241.266 2.129 10 5 BEBERO CC1(C)[C@H]([NH3+])[C@@H]1c1csc([N+](=O)[O-])c1 ZINC000300986478 363259259 /nfs/dbraw/zinc/25/92/59/363259259.db2.gz LDQFFLGMCILPLB-JGVFFNPUSA-N 1 0 212.274 2.107 10 5 BEBERO NC(=[NH2+])CCCCOc1ccccc1[N+](=O)[O-] ZINC000049580000 181186976 /nfs/dbraw/zinc/18/69/76/181186976.db2.gz FBDQUWLFHXYKAH-UHFFFAOYSA-N 1 0 237.259 2.080 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCCC1(C[NH3+])CC1 ZINC000404639166 360385328 /nfs/dbraw/zinc/38/53/28/360385328.db2.gz KPDLWXKZSMHIGR-UHFFFAOYSA-N 1 0 249.314 2.444 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH2+]CC1 ZINC000037116609 361677526 /nfs/dbraw/zinc/67/75/26/361677526.db2.gz HYTGXAXZMPRWEY-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO O=[N+]([O-])[C@]1(c2ccccc2)CC[C@H]2CCC[N@@H+]2C1 ZINC000114691997 368948329 /nfs/dbraw/zinc/94/83/29/368948329.db2.gz DDXFLZNPVAJFQN-ZIAGYGMSSA-N 1 0 246.310 2.417 10 5 BEBERO Cc1cc(NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000404650258 369433081 /nfs/dbraw/zinc/43/30/81/369433081.db2.gz QVIMHHCSCNHBLF-UHFFFAOYSA-N 1 0 249.314 2.444 10 5 BEBERO [NH3+][C@@H]1CCC[C@@H]1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000063176942 181582736 /nfs/dbraw/zinc/58/27/36/181582736.db2.gz HDSWOCNKINLYGY-MNOVXSKESA-N 1 0 239.250 2.026 10 5 BEBERO CC[N@@H+]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000041066812 374102016 /nfs/dbraw/zinc/10/20/16/374102016.db2.gz JAHIZHQCWWWIRH-LLVKDONJSA-N 1 0 249.314 2.491 10 5 BEBERO C[N@@H+]1CCC[C@@H]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000143783746 374250889 /nfs/dbraw/zinc/25/08/89/374250889.db2.gz NHLRAHZAVGJEGC-GFCCVEGCSA-N 1 0 249.314 2.491 10 5 BEBERO O=[N+]([O-])c1ccccc1SC[C@@H]1CCC[NH2+]1 ZINC000043497342 182952752 /nfs/dbraw/zinc/95/27/52/182952752.db2.gz QJKWTTPZPZYTFD-VIFPVBQESA-N 1 0 238.312 2.439 10 5 BEBERO CCC[NH2+]CCOc1cccc(C)c1[N+](=O)[O-] ZINC000035283761 169260440 /nfs/dbraw/zinc/26/04/40/169260440.db2.gz XYNBRTNSXDXGOM-UHFFFAOYSA-N 1 0 238.287 2.282 10 5 BEBERO Cc1cc(N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000310258599 384082851 /nfs/dbraw/zinc/08/28/51/384082851.db2.gz HFFCNBPIMNPOTA-JTQLQIEISA-N 1 0 237.303 2.443 10 5 BEBERO C[C@@H](CC[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000336656636 384245691 /nfs/dbraw/zinc/24/56/91/384245691.db2.gz LPNFCLLTXYIQCQ-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO O=[N+]([O-])c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000084493049 384723200 /nfs/dbraw/zinc/72/32/00/384723200.db2.gz OIARZDMWGQZRLD-NSHDSACASA-N 1 0 220.272 2.137 10 5 BEBERO Cc1c(Cl)ccc(C[NH3+])c1[N+](=O)[O-] ZINC000307427937 386650322 /nfs/dbraw/zinc/65/03/22/386650322.db2.gz HJHKYVNBMGBLJE-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000319980500 386785249 /nfs/dbraw/zinc/78/52/49/386785249.db2.gz FTWAECGHNFDCBI-UWVGGRQHSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000228164015 387136853 /nfs/dbraw/zinc/13/68/53/387136853.db2.gz WSPLGZAUJCXWHK-QWRGUYRKSA-N 1 0 249.314 2.077 10 5 BEBERO CCOCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000036228919 387883352 /nfs/dbraw/zinc/88/33/52/387883352.db2.gz PPAGAFVWTSUWHR-SNVBAGLBSA-N 1 0 238.287 2.282 10 5 BEBERO C[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000037460563 388850983 /nfs/dbraw/zinc/85/09/83/388850983.db2.gz RXEREOGKXLLNOG-UHFFFAOYSA-N 1 0 245.076 2.077 10 5 BEBERO Cc1ccc(N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000044514803 132224838 /nfs/dbraw/zinc/22/48/38/132224838.db2.gz HGRKJONRJVPOKZ-UHFFFAOYSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000094342739 132239078 /nfs/dbraw/zinc/23/90/78/132239078.db2.gz UCQLXUAOQQVRDQ-GHMZBOCLSA-N 1 0 249.314 2.077 10 5 BEBERO CC(C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000001666808 167004756 /nfs/dbraw/zinc/00/47/56/167004756.db2.gz SOYCMBJOWBKPLI-UHFFFAOYSA-N 1 0 222.288 2.383 10 5 BEBERO CC(C)[NH2+]CCOc1cccc(F)c1[N+](=O)[O-] ZINC000051871867 167109710 /nfs/dbraw/zinc/10/97/10/167109710.db2.gz CZHDIGOOINKMGW-UHFFFAOYSA-N 1 0 242.250 2.111 10 5 BEBERO CC[N@@H+]1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000336885715 170021717 /nfs/dbraw/zinc/02/17/17/170021717.db2.gz AVXREGHUXGVUCC-NSHDSACASA-N 1 0 249.314 2.409 10 5 BEBERO CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000328196158 170021905 /nfs/dbraw/zinc/02/19/05/170021905.db2.gz QPKGTZPTVJQIKL-LBPRGKRZSA-N 1 0 249.314 2.409 10 5 BEBERO CC[NH2+]Cc1cnc(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000062821023 170124394 /nfs/dbraw/zinc/12/43/94/170124394.db2.gz ZMTPMVQKDQKISD-UHFFFAOYSA-N 1 0 246.270 2.094 10 5 BEBERO CC[C@@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1 ZINC000013687088 171143650 /nfs/dbraw/zinc/14/36/50/171143650.db2.gz AAGIHBVMVXKWCJ-SNVBAGLBSA-N 1 0 206.245 2.019 10 5 BEBERO CCn1c(N)[nH+]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000039320402 172130546 /nfs/dbraw/zinc/13/05/46/172130546.db2.gz ZCUXVPCIAOLUJP-UHFFFAOYSA-N 1 0 232.243 2.060 10 5 BEBERO C[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003710583 173395585 /nfs/dbraw/zinc/39/55/85/173395585.db2.gz ZWPZXIGFXJAVTK-UHFFFAOYSA-N 1 0 249.295 2.438 10 5 BEBERO C[C@H]([NH3+])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000083592094 176776910 /nfs/dbraw/zinc/77/69/10/176776910.db2.gz ALYRDUFZKPWPLF-YFKPBYRVSA-N 1 0 200.625 2.268 10 5 BEBERO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000104413800 177379201 /nfs/dbraw/zinc/37/92/01/177379201.db2.gz FDYGUTHIVHXYAW-ONGXEEELSA-N 1 0 249.314 2.265 10 5 BEBERO C[N+](C)(C)CCCCOC(=O)c1ccccc1 ZINC000001920209 177486553 /nfs/dbraw/zinc/48/65/53/177486553.db2.gz NHVRJQMUSIRCFG-UHFFFAOYSA-N 1 0 236.335 2.330 10 5 BEBERO [NH3+]CCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070534504 323196590 /nfs/dbraw/zinc/19/65/90/323196590.db2.gz QBAAXUPMJKBGME-UHFFFAOYSA-N 1 0 249.314 2.160 10 5 BEBERO CC[C@@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@@H]1[NH3+] ZINC000757175732 582552831 /nfs/dbraw/zinc/55/28/31/582552831.db2.gz JMEQSMXNRBCFSM-UWVGGRQHSA-N 1 0 222.244 2.074 10 5 BEBERO CC[C@@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757175542 586433201 /nfs/dbraw/zinc/43/32/01/586433201.db2.gz AOGQOXWLBYYVRD-UWVGGRQHSA-N 1 0 222.244 2.074 10 5 BEBERO CC[C@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@@H]1[NH3+] ZINC000757176044 586433416 /nfs/dbraw/zinc/43/34/16/586433416.db2.gz WJUZYETTWUEGKU-PSASIEDQSA-N 1 0 222.244 2.074 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166420147 632024760 /nfs/dbraw/zinc/02/47/60/632024760.db2.gz OWWYMRMZXBVAJF-MNOVXSKESA-N 1 0 249.314 2.077 10 5 BEBERO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070171269 632524313 /nfs/dbraw/zinc/52/43/13/632524313.db2.gz ZPFCJZIPJBSYEU-NSHDSACASA-N 1 0 249.314 2.160 10 5 BEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000320721440 636380327 /nfs/dbraw/zinc/38/03/27/636380327.db2.gz RLPKARSRYQDEPJ-HTQZYQBOSA-N 1 0 241.266 2.272 10 5 BEBERO C[NH2+]C[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000063169389 641142778 /nfs/dbraw/zinc/14/27/78/641142778.db2.gz CJABIGHFRSJVGI-NSHDSACASA-N 1 0 249.314 2.173 10 5 BEBERO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000078505430 641931729 /nfs/dbraw/zinc/93/17/29/641931729.db2.gz GLQAKRCNDXVDML-ZWNOBZJWSA-N 1 0 249.314 2.158 10 5 BEBERO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070171268 642985370 /nfs/dbraw/zinc/98/53/70/642985370.db2.gz ZPFCJZIPJBSYEU-LLVKDONJSA-N 1 0 249.314 2.160 10 5 BEBERO CCN(c1cc(C)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000094663315 644722189 /nfs/dbraw/zinc/72/21/89/644722189.db2.gz IYGVUQUAQVQJBY-NSHDSACASA-N 1 0 249.314 2.091 10 5 BEBERO CCN(c1cc(C)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000094663314 644723796 /nfs/dbraw/zinc/72/37/96/644723796.db2.gz IYGVUQUAQVQJBY-LLVKDONJSA-N 1 0 249.314 2.091 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000721877275 710688895 /nfs/dbraw/zinc/68/88/95/710688895.db2.gz YZSBLJKLQGGHKA-GFCCVEGCSA-N 1 0 249.314 2.313 10 5 BEBERO CC[N+](CC)(CCO)Cc1ccccc1 ZINC000005688391 717101013 /nfs/dbraw/zinc/10/10/13/717101013.db2.gz MMKZWJXLFOYJGN-UHFFFAOYSA-N 1 0 208.325 2.036 10 5 BEBERO Cc1c(Cl)c(C[NH3+])ccc1[N+](=O)[O-] ZINC000307439718 398167050 /nfs/dbraw/zinc/16/70/50/398167050.db2.gz VTLVKUWMXMHALM-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)[NH3+] ZINC000394447678 323001697 /nfs/dbraw/zinc/00/16/97/323001697.db2.gz NJVMRWDOBVZZMW-NTSWFWBYSA-N 1 0 245.229 2.021 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000320430036 342733713 /nfs/dbraw/zinc/73/37/13/342733713.db2.gz YUKCYTLAOXZGAV-ZJUUUORDSA-N 1 0 237.303 2.441 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[C@@H](C)[NH3+] ZINC000320430029 342733829 /nfs/dbraw/zinc/73/38/29/342733829.db2.gz YUKCYTLAOXZGAV-NXEZZACHSA-N 1 0 237.303 2.441 10 5 BEBERO C[C@@H](C[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000082576004 398341860 /nfs/dbraw/zinc/34/18/60/398341860.db2.gz ANUBMLRRUUCJLU-LURJTMIESA-N 1 0 229.667 2.007 10 5 BEBERO COc1ccc([C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000072202308 343071680 /nfs/dbraw/zinc/07/16/80/343071680.db2.gz FCYKHIHDFUZBTP-VIFPVBQESA-N 1 0 222.244 2.028 10 5 BEBERO CC[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C ZINC000082584634 133502861 /nfs/dbraw/zinc/50/28/61/133502861.db2.gz WROMXEQWSTZWEZ-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO C[C@@H]([NH3+])[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000381530746 344518188 /nfs/dbraw/zinc/51/81/88/344518188.db2.gz AMNHYMYQRQTALP-RNFRBKRXSA-N 1 0 243.694 2.396 10 5 BEBERO C[NH+](C)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000082238985 344706903 /nfs/dbraw/zinc/70/69/03/344706903.db2.gz XZEUIRORHFCWOQ-UHFFFAOYSA-N 1 0 244.678 2.189 10 5 BEBERO C[C@H]([NH3+])CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000235489024 344924677 /nfs/dbraw/zinc/92/46/77/344924677.db2.gz XSRZFPSVCGJPMI-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO Cc1ccc(OC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000061701595 178815327 /nfs/dbraw/zinc/81/53/27/178815327.db2.gz OJVXPSYTPBBHFJ-SNVBAGLBSA-N 1 0 236.271 2.034 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382437684 346041558 /nfs/dbraw/zinc/04/15/58/346041558.db2.gz XGKMKYSQNVUVGT-WDEREUQCSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NCC[C@H](C)[NH3+] ZINC000125757600 179206323 /nfs/dbraw/zinc/20/63/23/179206323.db2.gz NJSHSCMPYGNBTD-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cccc(N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000594692270 348099902 /nfs/dbraw/zinc/09/99/02/348099902.db2.gz SGBFTJJWCHKZPW-UHFFFAOYSA-N 1 0 237.303 2.077 10 5 BEBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(F)cc1[N+](=O)[O-] ZINC000320674547 323183187 /nfs/dbraw/zinc/18/31/87/323183187.db2.gz KCPARGMZAQMZNW-JGVFFNPUSA-N 1 0 241.266 2.272 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCC12CC(C1)C[NH2+]2 ZINC000596027719 348425631 /nfs/dbraw/zinc/42/56/31/348425631.db2.gz VCWQKMAFGBFGLM-UHFFFAOYSA-N 1 0 247.298 2.067 10 5 BEBERO CC(C)[C@H]([NH3+])CCNc1ccccc1[N+](=O)[O-] ZINC000596029815 348425963 /nfs/dbraw/zinc/42/59/63/348425963.db2.gz BQMHAHNZWQJRKY-SNVBAGLBSA-N 1 0 237.303 2.380 10 5 BEBERO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382435360 350776055 /nfs/dbraw/zinc/77/60/55/350776055.db2.gz VGADIUYNDQYUTC-CMPLNLGQSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382433907 350776222 /nfs/dbraw/zinc/77/62/22/350776222.db2.gz TXKLWNAGDXZENG-GHMZBOCLSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@H]([NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063024746 350782962 /nfs/dbraw/zinc/78/29/62/350782962.db2.gz YPOVFIAUVMLFEW-LURJTMIESA-N 1 0 214.652 2.138 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH3+] ZINC000063171624 351269828 /nfs/dbraw/zinc/26/98/28/351269828.db2.gz CDHYDRJVAPWJAU-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO CC(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1 ZINC000013687096 187481543 /nfs/dbraw/zinc/48/15/43/187481543.db2.gz PUNSQJRRQYAGFC-LBPRGKRZSA-N 1 0 220.272 2.265 10 5 BEBERO Cc1cc(C[NH3+])c([N+](=O)[O-])cc1Cl ZINC000307038662 351436231 /nfs/dbraw/zinc/43/62/31/351436231.db2.gz GKCRNQSSCUCCDA-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(C[NH3+])c1Br ZINC000307054557 351454064 /nfs/dbraw/zinc/45/40/64/351454064.db2.gz RLDOWLLWOQEHRA-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO C[C@]1([NH3+])CC=C(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000725272084 538103962 /nfs/dbraw/zinc/10/39/62/538103962.db2.gz GSBVVVUCPCGCCT-LBPRGKRZSA-N 1 0 233.271 2.275 10 5 BEBERO O=[N+]([O-])c1ccc2c(c1)CC[NH2+]C21CCC1 ZINC000498036798 352570454 /nfs/dbraw/zinc/57/04/54/352570454.db2.gz ZIYOIBQBJVLJTQ-UHFFFAOYSA-N 1 0 218.256 2.120 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(Cl)c1C[NH3+] ZINC000307563775 352652448 /nfs/dbraw/zinc/65/24/48/352652448.db2.gz XVOSZSUGVBLYKO-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1cc(C[NH3+])c([N+](=O)[O-])cc1Br ZINC000306609582 353029491 /nfs/dbraw/zinc/02/94/91/353029491.db2.gz YTESMLXNNIAPBI-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO C=CC(=O)OC[C@@H](C)[N+](C)(C)Cc1ccccc1 ZINC000038645763 188472714 /nfs/dbraw/zinc/47/27/14/188472714.db2.gz WPYQDIJVNQLDTF-CYBMUJFWSA-N 1 0 248.346 2.381 10 5 BEBERO O=[N+]([O-])c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095828401 188501323 /nfs/dbraw/zinc/50/13/23/188501323.db2.gz KTBPBAUIAFYIJO-SNVBAGLBSA-N 1 0 206.245 2.062 10 5 BEBERO NC(=[NH2+])CCCCOc1ccc([N+](=O)[O-])cc1 ZINC000049579998 181186710 /nfs/dbraw/zinc/18/67/10/181186710.db2.gz YKFBBQFHHNDCII-UHFFFAOYSA-N 1 0 237.259 2.080 10 5 BEBERO NC(=[NH2+])CCCCOc1cccc([N+](=O)[O-])c1 ZINC000049579999 181187002 /nfs/dbraw/zinc/18/70/02/181187002.db2.gz CRQKUAACYCYBPO-UHFFFAOYSA-N 1 0 237.259 2.080 10 5 BEBERO CC[C@@H]([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000084718403 355485964 /nfs/dbraw/zinc/48/59/64/355485964.db2.gz RJYKSDOAANZOHP-MRVPVSSYSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@H]1Cc2ccc([N+](=O)[O-])cc2[C@@H]([NH3+])C1 ZINC000675078225 538515616 /nfs/dbraw/zinc/51/56/16/538515616.db2.gz NZRAWSUOMHMQNK-CPCISQLKSA-N 1 0 206.245 2.177 10 5 BEBERO C[C@@H]1Cc2c(cccc2[N+](=O)[O-])[C@H]([NH3+])C1 ZINC000675078819 538515934 /nfs/dbraw/zinc/51/59/34/538515934.db2.gz UFNZJXYBZCRSBC-GMSGAONNSA-N 1 0 206.245 2.177 10 5 BEBERO C[C@H]1Cc2c(cccc2[N+](=O)[O-])[C@@H]([NH3+])C1 ZINC000675078822 538516823 /nfs/dbraw/zinc/51/68/23/538516823.db2.gz UFNZJXYBZCRSBC-XVKPBYJWSA-N 1 0 206.245 2.177 10 5 BEBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000389737429 357100504 /nfs/dbraw/zinc/10/05/04/357100504.db2.gz VXEMHYZBCSBBLM-ONGXEEELSA-N 1 0 235.287 2.005 10 5 BEBERO CC[n+]1cc2ccccc2c([N+](=O)[O-])c1 ZINC000584625125 358293418 /nfs/dbraw/zinc/29/34/18/358293418.db2.gz CXEXEDFXZJHOOX-UHFFFAOYSA-N 1 0 203.221 2.055 10 5 BEBERO [NH3+][C@H](CF)c1cc([N+](=O)[O-])ccc1Cl ZINC000238684321 361178766 /nfs/dbraw/zinc/17/87/66/361178766.db2.gz ZECDSWBNAJJIKE-MRVPVSSYSA-N 1 0 218.615 2.218 10 5 BEBERO CC[NH2+][C@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000387497893 368906129 /nfs/dbraw/zinc/90/61/29/368906129.db2.gz BYIUWTAYEYPTKA-SNVBAGLBSA-N 1 0 237.303 2.313 10 5 BEBERO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000404688623 369433430 /nfs/dbraw/zinc/43/34/30/369433430.db2.gz QLJJNIQSVGEUGJ-UHFFFAOYSA-N 1 0 235.287 2.136 10 5 BEBERO [NH3+][C@@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000093212763 181580585 /nfs/dbraw/zinc/58/05/85/181580585.db2.gz JJJTZBORJSMGGI-NXEZZACHSA-N 1 0 235.287 2.277 10 5 BEBERO [NH3+][C@@H]1CCC[C@H]1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000063176941 181584928 /nfs/dbraw/zinc/58/49/28/181584928.db2.gz HDSWOCNKINLYGY-GHMZBOCLSA-N 1 0 239.250 2.026 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C ZINC000600951033 371713550 /nfs/dbraw/zinc/71/35/50/371713550.db2.gz FFCQMJBZJMTRBD-WCQYABFASA-N 1 0 249.314 2.456 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000600952453 371714548 /nfs/dbraw/zinc/71/45/48/371714548.db2.gz WVNRXYFRYUXDED-NWDGAFQWSA-N 1 0 249.314 2.456 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000600951031 371714768 /nfs/dbraw/zinc/71/47/68/371714768.db2.gz FDZUMRKLQCURNA-NWDGAFQWSA-N 1 0 235.287 2.147 10 5 BEBERO CN(CCC[NH3+])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000227750267 371929881 /nfs/dbraw/zinc/92/98/81/371929881.db2.gz KJHTVGWLGBRAEJ-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO CCC[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000020525200 169257728 /nfs/dbraw/zinc/25/77/28/169257728.db2.gz OKWJFAUAEYVDBB-UHFFFAOYSA-N 1 0 238.287 2.363 10 5 BEBERO C[C@H](C[NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336650185 384245330 /nfs/dbraw/zinc/24/53/30/384245330.db2.gz DQDDZNNHMHIDEP-SSDOTTSWSA-N 1 0 243.694 2.255 10 5 BEBERO O=[N+]([O-])c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000084493051 384722873 /nfs/dbraw/zinc/72/28/73/384722873.db2.gz OIARZDMWGQZRLD-LLVKDONJSA-N 1 0 220.272 2.137 10 5 BEBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000320721266 384840325 /nfs/dbraw/zinc/84/03/25/384840325.db2.gz VZDSKSAUSLJEFO-YUMQZZPRSA-N 1 0 241.266 2.272 10 5 BEBERO C[C@@H](C[NH3+])Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000235103397 259671775 /nfs/dbraw/zinc/67/17/75/259671775.db2.gz LPITUGGWMNUBEY-LURJTMIESA-N 1 0 229.667 2.007 10 5 BEBERO [NH3+][C@@H](CCF)c1ccc(F)cc1[N+](=O)[O-] ZINC000575439126 387121098 /nfs/dbraw/zinc/12/10/98/387121098.db2.gz PZQBRAPNHFZQLV-QMMMGPOBSA-N 1 0 216.187 2.093 10 5 BEBERO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063166359 132389540 /nfs/dbraw/zinc/38/95/40/132389540.db2.gz GCFWZFCNBVOXSD-UHFFFAOYSA-N 1 0 249.314 2.031 10 5 BEBERO Cc1ccc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227078063 132440562 /nfs/dbraw/zinc/44/05/62/132440562.db2.gz UCQLXUAOQQVRDQ-WDEREUQCSA-N 1 0 249.314 2.077 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C)c1[N+](=O)[O-] ZINC000600952473 410051289 /nfs/dbraw/zinc/05/12/89/410051289.db2.gz XIXRTUJZMIYJJN-WDEREUQCSA-N 1 0 249.314 2.456 10 5 BEBERO CC(C)[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000044572645 167026113 /nfs/dbraw/zinc/02/61/13/167026113.db2.gz WDTNMMNMYKUPGF-NSHDSACASA-N 1 0 249.314 2.489 10 5 BEBERO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000328196156 170014451 /nfs/dbraw/zinc/01/44/51/170014451.db2.gz QPKGTZPTVJQIKL-GFCCVEGCSA-N 1 0 249.314 2.409 10 5 BEBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000035414714 170125183 /nfs/dbraw/zinc/12/51/83/170125183.db2.gz AJBUNGPDNQJTCL-UHFFFAOYSA-N 1 0 238.287 2.492 10 5 BEBERO C[NH+](C)CCCCNc1ccc([N+](=O)[O-])cc1 ZINC000041675760 172430544 /nfs/dbraw/zinc/43/05/44/172430544.db2.gz NJEJRHXYNNZXIU-UHFFFAOYSA-N 1 0 237.303 2.349 10 5 BEBERO C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053301970 173359479 /nfs/dbraw/zinc/35/94/79/173359479.db2.gz LMYHSIUZTDKKJT-UHFFFAOYSA-N 1 0 214.652 2.010 10 5 BEBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000036765273 173387087 /nfs/dbraw/zinc/38/70/87/173387087.db2.gz SNFACVNMLLHQFV-UHFFFAOYSA-N 1 0 236.271 2.103 10 5 BEBERO COc1ccc(C[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000071424743 175116903 /nfs/dbraw/zinc/11/69/03/175116903.db2.gz CORVMRWTGZAWKL-JTQLQIEISA-N 1 0 238.287 2.129 10 5 BEBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC1 ZINC000052210493 175200998 /nfs/dbraw/zinc/20/09/98/175200998.db2.gz CPQWBKQLPSWFNM-UHFFFAOYSA-N 1 0 236.271 2.246 10 5 BEBERO C[C@H](CC[NH3+])Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000309418504 176628157 /nfs/dbraw/zinc/62/81/57/176628157.db2.gz HIBBYYAYBYZUKF-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@H]1C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])[nH]c21 ZINC000027655854 177239579 /nfs/dbraw/zinc/23/95/79/177239579.db2.gz LODCSLMIKARQSW-BQBZGAKWSA-N 1 0 209.249 2.033 10 5 BEBERO Cc1c(NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000062724509 177620534 /nfs/dbraw/zinc/62/05/34/177620534.db2.gz YGPBHXLTDIGEPH-JTQLQIEISA-N 1 0 235.287 2.067 10 5 BEBERO CC[C@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@H]1[NH3+] ZINC000757175731 582553077 /nfs/dbraw/zinc/55/30/77/582553077.db2.gz JMEQSMXNRBCFSM-NXEZZACHSA-N 1 0 222.244 2.074 10 5 BEBERO C[C@H](C[NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000309422024 633050299 /nfs/dbraw/zinc/05/02/99/633050299.db2.gz YDOCRHGUPDOBOF-SSDOTTSWSA-N 1 0 243.694 2.255 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227077134 640813852 /nfs/dbraw/zinc/81/38/52/640813852.db2.gz PWPMSHFJIDBMOR-CMPLNLGQSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@H](C[NH3+])Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429472 640874180 /nfs/dbraw/zinc/87/41/80/640874180.db2.gz GDAZMJVIYNIMIC-ZCFIWIBFSA-N 1 0 229.667 2.007 10 5 BEBERO C[NH2+]C[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000063169390 641142622 /nfs/dbraw/zinc/14/26/22/641142622.db2.gz CJABIGHFRSJVGI-LLVKDONJSA-N 1 0 249.314 2.173 10 5 BEBERO CN(CCC[NH3+])c1c(Cl)cccc1[N+](=O)[O-] ZINC000234296520 642394371 /nfs/dbraw/zinc/39/43/71/642394371.db2.gz CCGXHNOINVZQIR-UHFFFAOYSA-N 1 0 243.694 2.033 10 5 BEBERO [NH3+]CC1(c2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000757192588 643366281 /nfs/dbraw/zinc/36/62/81/643366281.db2.gz WUVFXMXOJJYHMO-UHFFFAOYSA-N 1 0 242.225 2.220 10 5 BEBERO Cc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000086471321 644140264 /nfs/dbraw/zinc/14/02/64/644140264.db2.gz AYFWESCZVYCQEB-MNOVXSKESA-N 1 0 249.314 2.090 10 5 BEBERO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000723801679 710732644 /nfs/dbraw/zinc/73/26/44/710732644.db2.gz NCIYMDFDFPPDIC-MNOVXSKESA-N 1 0 249.314 2.171 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723801691 710732988 /nfs/dbraw/zinc/73/29/88/710732988.db2.gz NPSBPNFOCXVKCM-MNOVXSKESA-N 1 0 249.314 2.171 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715073517 712506193 /nfs/dbraw/zinc/50/61/93/712506193.db2.gz PPYHHYWIPHRVGH-AOOOYVTPSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cccc(NC[C@H]2C[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000715073595 712506283 /nfs/dbraw/zinc/50/62/83/712506283.db2.gz REMMQCXLDZNQNW-AOOOYVTPSA-N 1 0 235.287 2.052 10 5 BEBERO C[NH2+]CCN(c1ccccc1[N+](=O)[O-])C(C)C ZINC000720792714 712866163 /nfs/dbraw/zinc/86/61/63/712866163.db2.gz XPNFJYGRGUJGKA-UHFFFAOYSA-N 1 0 237.303 2.029 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720831409 712869284 /nfs/dbraw/zinc/86/92/84/712869284.db2.gz VVHJBAFJNFRKPW-GFCCVEGCSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cccc(N2C[C@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000720834520 712869415 /nfs/dbraw/zinc/86/94/15/712869415.db2.gz KPXBFSQUQFJAPR-NSHDSACASA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720835401 712869431 /nfs/dbraw/zinc/86/94/31/712869431.db2.gz OJRWFJCCTRNPAQ-LLVKDONJSA-N 1 0 249.314 2.077 10 5 BEBERO C=CC(=O)OC[C@H](C)[N+](C)(C)Cc1ccccc1 ZINC000038645760 717126292 /nfs/dbraw/zinc/12/62/92/717126292.db2.gz WPYQDIJVNQLDTF-ZDUSSCGKSA-N 1 0 248.346 2.381 10 5 BEBERO COc1ccc2c(C[N+](C)(C)C)c[nH]c2c1 ZINC000514252359 717183472 /nfs/dbraw/zinc/18/34/72/717183472.db2.gz IQUZUWYMEWVJMD-UHFFFAOYSA-N 1 0 219.308 2.383 10 5 BEBERO Cc1cc(N[C@H](C)CC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336682385 178186611 /nfs/dbraw/zinc/18/66/11/178186611.db2.gz DYJQPMUHMSOOCW-MRVPVSSYSA-N 1 0 241.266 2.192 10 5 BEBERO Cc1cc(N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000336670475 178186641 /nfs/dbraw/zinc/18/66/41/178186641.db2.gz RVZUXZPJGSABRG-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cc(OCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000020525016 178211567 /nfs/dbraw/zinc/21/15/67/178211567.db2.gz HBOCSFGMUZTICP-UHFFFAOYSA-N 1 0 238.287 2.280 10 5 BEBERO C[C@H](C[C@H](C)[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000320465657 342734079 /nfs/dbraw/zinc/73/40/79/342734079.db2.gz FEXHEOIBZRSMCP-DTWKUNHWSA-N 1 0 223.276 2.133 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)[NH3+] ZINC000381583176 344523467 /nfs/dbraw/zinc/52/34/67/344523467.db2.gz JZBJRKSLULIZSX-BDAKNGLRSA-N 1 0 223.276 2.051 10 5 BEBERO C[C@@H]([NH3+])CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000235155878 344822731 /nfs/dbraw/zinc/82/27/31/344822731.db2.gz XSRZFPSVCGJPMI-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO Cc1ccc(NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000038041160 178756067 /nfs/dbraw/zinc/75/60/67/178756067.db2.gz RANIRRBRZBJTMN-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO O=[N+]([O-])c1ccc(Cl)c([C@H]2CC[NH2+]2)c1 ZINC000044257431 344996256 /nfs/dbraw/zinc/99/62/56/344996256.db2.gz WGDIPMDEJSCHCA-SECBINFHSA-N 1 0 212.636 2.283 10 5 BEBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000044493108 345096131 /nfs/dbraw/zinc/09/61/31/345096131.db2.gz RFNDSVZROHNAKS-NSHDSACASA-N 1 0 235.287 2.149 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH2+]CC1 ZINC000044509256 345097488 /nfs/dbraw/zinc/09/74/88/345097488.db2.gz BDIXCVRCGQVGPI-UHFFFAOYSA-N 1 0 249.314 2.315 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382437681 346046297 /nfs/dbraw/zinc/04/62/97/346046297.db2.gz XGKMKYSQNVUVGT-GHMZBOCLSA-N 1 0 249.314 2.443 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H]([NH3+])C(C)C ZINC000158943648 346537234 /nfs/dbraw/zinc/53/72/34/346537234.db2.gz MFWVIIJBQVOYJH-SNVBAGLBSA-N 1 0 237.303 2.298 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1[C@@H]1CCC[NH2+]1 ZINC000026513715 179206907 /nfs/dbraw/zinc/20/69/07/179206907.db2.gz LFKFKRDFBKVMIZ-VIFPVBQESA-N 1 0 206.245 2.328 10 5 BEBERO [NH3+][C@@H]1C[C@@]12CC=C(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000725265093 538092890 /nfs/dbraw/zinc/09/28/90/538092890.db2.gz FHROCQVIAGLFGB-YPMHNXCESA-N 1 0 245.282 2.275 10 5 BEBERO Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382420731 350740198 /nfs/dbraw/zinc/74/01/98/350740198.db2.gz JYOUGYPZGRJMFM-QWRGUYRKSA-N 1 0 249.314 2.443 10 5 BEBERO C[C@@H](C[NH3+])N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000382970702 351120187 /nfs/dbraw/zinc/12/01/87/351120187.db2.gz IUBYRHHEBXNDOV-ZETCQYMHSA-N 1 0 243.694 2.032 10 5 BEBERO Cc1ccc(C[NH3+])c([N+](=O)[O-])c1Cl ZINC000306950625 351375224 /nfs/dbraw/zinc/37/52/24/351375224.db2.gz ZOQBLQHLTCIRQK-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000319980494 259419811 /nfs/dbraw/zinc/41/98/11/259419811.db2.gz FTWAECGHNFDCBI-NXEZZACHSA-N 1 0 237.303 2.441 10 5 BEBERO C[C@@H](C[NH3+])CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000420221888 192177356 /nfs/dbraw/zinc/17/73/56/192177356.db2.gz UUZPZBJJXOTHLI-ZETCQYMHSA-N 1 0 243.694 2.255 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000389735791 357090904 /nfs/dbraw/zinc/09/09/04/357090904.db2.gz UVNXASQSBKDFJW-JQWIXIFHSA-N 1 0 249.314 2.313 10 5 BEBERO Cc1cc(N2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000044559345 358550501 /nfs/dbraw/zinc/55/05/01/358550501.db2.gz YABNFWZHSQZCQT-LBPRGKRZSA-N 1 0 249.314 2.221 10 5 BEBERO CC(C)([NH3+])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000306235593 359393703 /nfs/dbraw/zinc/39/37/03/359393703.db2.gz OBPOJFJEHXCIBG-UHFFFAOYSA-N 1 0 214.652 2.442 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(C[NH3+])c1Cl ZINC000306515845 360343216 /nfs/dbraw/zinc/34/32/16/360343216.db2.gz AEJGBNJUVSZTQV-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO [NH3+]C1(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000306566312 360449078 /nfs/dbraw/zinc/44/90/78/360449078.db2.gz SLCYYKMMWMQXBL-UHFFFAOYSA-N 1 0 212.636 2.196 10 5 BEBERO Cc1cc(Cl)c([N+](=O)[O-])c(C[NH3+])c1 ZINC000306600033 360520490 /nfs/dbraw/zinc/52/04/90/360520490.db2.gz IKJSSNRIAVKHBO-UHFFFAOYSA-N 1 0 200.625 2.015 10 5 BEBERO [NH3+]C1(CNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000236191774 181331850 /nfs/dbraw/zinc/33/18/50/181331850.db2.gz LJFWQKZNROOKPC-UHFFFAOYSA-N 1 0 239.250 2.027 10 5 BEBERO [NH3+]C1CC(Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036268801 181340770 /nfs/dbraw/zinc/34/07/70/181340770.db2.gz IUZNAMKVDUJHLT-UHFFFAOYSA-N 1 0 241.678 2.150 10 5 BEBERO O=[N+]([O-])[C@@]1(c2ccccc2)CC[C@H]2CCC[N@@H+]2C1 ZINC000114691999 368947931 /nfs/dbraw/zinc/94/79/31/368947931.db2.gz DDXFLZNPVAJFQN-KGLIPLIRSA-N 1 0 246.310 2.417 10 5 BEBERO CC[NH2+]CCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000094663242 369760336 /nfs/dbraw/zinc/76/03/36/369760336.db2.gz VRYBOQIQPVMSPA-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO COC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525957 371288028 /nfs/dbraw/zinc/28/80/28/371288028.db2.gz UPNFPCHUOHIMSO-UWVGGRQHSA-N 1 0 238.287 2.280 10 5 BEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000320638848 384778407 /nfs/dbraw/zinc/77/84/07/384778407.db2.gz DFSGFZOGOKIAHY-HTQZYQBOSA-N 1 0 241.266 2.272 10 5 BEBERO O=[N+]([O-])c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095827049 385663300 /nfs/dbraw/zinc/66/33/00/385663300.db2.gz KTBPBAUIAFYIJO-JTQLQIEISA-N 1 0 206.245 2.062 10 5 BEBERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000093212826 386107399 /nfs/dbraw/zinc/10/73/99/386107399.db2.gz XCDQQJMEHNFPAQ-MWLCHTKSSA-N 1 0 235.287 2.277 10 5 BEBERO CC(C)C[C@H](C[NH3+])Nc1ccccc1[N+](=O)[O-] ZINC000111830288 386251870 /nfs/dbraw/zinc/25/18/70/386251870.db2.gz VMAUXLKPWCMJTA-SNVBAGLBSA-N 1 0 237.303 2.380 10 5 BEBERO Cc1ccc([C@H]([NH3+])CCF)cc1[N+](=O)[O-] ZINC000575438194 387109272 /nfs/dbraw/zinc/10/92/72/387109272.db2.gz DUFUDUZRUGQIGY-SECBINFHSA-N 1 0 212.224 2.263 10 5 BEBERO [NH3+][C@H](CC(F)F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000575437759 387111324 /nfs/dbraw/zinc/11/13/24/387111324.db2.gz SRYGJJDDDAUPKJ-SSDOTTSWSA-N 1 0 234.177 2.389 10 5 BEBERO [NH3+]Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040999561 388430017 /nfs/dbraw/zinc/43/00/17/388430017.db2.gz UPBIUYDNFSTJIA-UHFFFAOYSA-N 1 0 235.268 2.177 10 5 BEBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1C ZINC000082579295 388728483 /nfs/dbraw/zinc/72/84/83/388728483.db2.gz WROMXEQWSTZWEZ-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO CC[C@H]([NH3+])CNc1c(C)cccc1[N+](=O)[O-] ZINC000125758725 388806750 /nfs/dbraw/zinc/80/67/50/388806750.db2.gz LNEDIVHQOSUCSB-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO Cc1c([C@H](C)[NH3+])cnn1-c1ccccc1[N+](=O)[O-] ZINC000020216629 177631507 /nfs/dbraw/zinc/63/15/07/177631507.db2.gz YWYUVJZUFMCAPE-QMMMGPOBSA-N 1 0 246.270 2.109 10 5 BEBERO C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261550570 135189022 /nfs/dbraw/zinc/18/90/22/135189022.db2.gz PAPNPKCAKPREMB-MNOVXSKESA-N 1 0 249.314 2.158 10 5 BEBERO O=[N+]([O-])c1ccccc1CC1CC[NH2+]CC1 ZINC000137827578 398064199 /nfs/dbraw/zinc/06/41/99/398064199.db2.gz LROQBHKTSYTVSP-UHFFFAOYSA-N 1 0 220.272 2.137 10 5 BEBERO CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829132 170125177 /nfs/dbraw/zinc/12/51/77/170125177.db2.gz QFZIMPMTYWFJSU-UHFFFAOYSA-N 1 0 214.652 2.358 10 5 BEBERO COc1cc([N+](=O)[O-])ccc1[C@@H]1CCC[NH2+]1 ZINC000072202306 175018936 /nfs/dbraw/zinc/01/89/36/175018936.db2.gz ZGNDRAXEXAOFQO-JTQLQIEISA-N 1 0 222.244 2.028 10 5 BEBERO C[C@@H]([NH3+])c1cccc(Cl)c1[N+](=O)[O-] ZINC000083591707 175818296 /nfs/dbraw/zinc/81/82/96/175818296.db2.gz XUBVNIGSYHMTKK-RXMQYKEDSA-N 1 0 200.625 2.268 10 5 BEBERO C[C@H]([NH3+])[C@@H](C)Cc1cccc([N+](=O)[O-])c1 ZINC000037947332 176763833 /nfs/dbraw/zinc/76/38/33/176763833.db2.gz HAROZPVALIMSFA-IUCAKERBSA-N 1 0 208.261 2.121 10 5 BEBERO Cc1c(NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000062724474 177620601 /nfs/dbraw/zinc/62/06/01/177620601.db2.gz PZJFKLCTVQCBTR-LLVKDONJSA-N 1 0 249.314 2.457 10 5 BEBERO [NH3+]Cc1cn(C(F)F)c2c1cccc2[N+](=O)[O-] ZINC000536952159 323958063 /nfs/dbraw/zinc/95/80/63/323958063.db2.gz ASBDNRUFYDMSOT-UHFFFAOYSA-N 1 0 241.197 2.403 10 5 BEBERO CC[NH2+]CCCNc1c(C)cccc1[N+](=O)[O-] ZINC000158929679 326346053 /nfs/dbraw/zinc/34/60/53/326346053.db2.gz LGZRSYRIZQQPIK-UHFFFAOYSA-N 1 0 237.303 2.315 10 5 BEBERO C[NH2+][C@@H](C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261582756 536344616 /nfs/dbraw/zinc/34/46/16/536344616.db2.gz OQMPANLXCKBIQV-ZETCQYMHSA-N 1 0 243.694 2.268 10 5 BEBERO Cc1ccc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000127260590 590602670 /nfs/dbraw/zinc/60/26/70/590602670.db2.gz TZUZLYGREWQPKD-GHMZBOCLSA-N 1 0 249.314 2.077 10 5 BEBERO [NH3+]CCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070188628 642989990 /nfs/dbraw/zinc/98/99/90/642989990.db2.gz PWLFSANNUKMXOB-UHFFFAOYSA-N 1 0 249.314 2.160 10 5 BEBERO C[NH2+]C[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000701898977 712032034 /nfs/dbraw/zinc/03/20/34/712032034.db2.gz MXEKLKYLZZPZJV-ZETCQYMHSA-N 1 0 243.694 2.268 10 5 BEBERO Cc1cc(N2CC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000723674861 711533277 /nfs/dbraw/zinc/53/32/77/711533277.db2.gz CNSPTSOJMBWAEW-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cccc(N2CC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000723675244 711534265 /nfs/dbraw/zinc/53/42/65/711534265.db2.gz ULDNDLAXSVACNB-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cc(N2C[C@H]([NH3+])C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000720836919 712869305 /nfs/dbraw/zinc/86/93/05/712869305.db2.gz UNDHJMQGEQBUTH-LBPRGKRZSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127298962 178118928 /nfs/dbraw/zinc/11/89/28/178118928.db2.gz WSPLGZAUJCXWHK-MNOVXSKESA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CC[NH3+] ZINC000309489920 178273169 /nfs/dbraw/zinc/27/31/69/178273169.db2.gz ZKVCDEFTHNHRGC-VIFPVBQESA-N 1 0 223.276 2.052 10 5 BEBERO [NH3+][C@H]1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000093212758 398313916 /nfs/dbraw/zinc/31/39/16/398313916.db2.gz JJJTZBORJSMGGI-VHSXEESVSA-N 1 0 235.287 2.277 10 5 BEBERO CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000197045144 343640299 /nfs/dbraw/zinc/64/02/99/343640299.db2.gz JHVUJEQPVUPIEI-LBPRGKRZSA-N 1 0 234.299 2.452 10 5 BEBERO Cc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000063177917 178772110 /nfs/dbraw/zinc/77/21/10/178772110.db2.gz UBSQDDVZVGFZCY-VHSXEESVSA-N 1 0 235.287 2.195 10 5 BEBERO Cc1cc(NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000044509222 345097780 /nfs/dbraw/zinc/09/77/80/345097780.db2.gz UQWWPCUWJWCIHS-UHFFFAOYSA-N 1 0 249.314 2.315 10 5 BEBERO O=[N+]([O-])c1ccc(Nc2cc[nH+]cc2)nc1 ZINC000206173862 345757940 /nfs/dbraw/zinc/75/79/40/345757940.db2.gz ZUOGVMRVOHDSQS-UHFFFAOYSA-N 1 0 216.200 2.128 10 5 BEBERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000140740199 345822198 /nfs/dbraw/zinc/82/21/98/345822198.db2.gz RPXZCJCGEPQZCA-LBPRGKRZSA-N 1 0 249.314 2.044 10 5 BEBERO Cc1cccc(N[C@@H](C)CCC[NH3+])c1[N+](=O)[O-] ZINC000336729383 179152702 /nfs/dbraw/zinc/15/27/02/179152702.db2.gz XHZOBIMAZCQHIC-JTQLQIEISA-N 1 0 237.303 2.443 10 5 BEBERO Cc1cccc(N2CCC(C)([NH3+])CC2)c1[N+](=O)[O-] ZINC000591435783 347660037 /nfs/dbraw/zinc/66/00/37/347660037.db2.gz WKGBCIOYMIQASM-UHFFFAOYSA-N 1 0 249.314 2.221 10 5 BEBERO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251799757 362920834 /nfs/dbraw/zinc/92/08/34/362920834.db2.gz OAMJZVPEILIKFB-GHMZBOCLSA-N 1 0 249.314 2.158 10 5 BEBERO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251799760 362920872 /nfs/dbraw/zinc/92/08/72/362920872.db2.gz OAMJZVPEILIKFB-WDEREUQCSA-N 1 0 249.314 2.158 10 5 BEBERO C[NH2+]C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596032503 348427296 /nfs/dbraw/zinc/42/72/96/348427296.db2.gz MOKVZBQQAZFHLB-ZETCQYMHSA-N 1 0 243.694 2.268 10 5 BEBERO C[NH2+]C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596032502 348427355 /nfs/dbraw/zinc/42/73/55/348427355.db2.gz MOKVZBQQAZFHLB-SSDOTTSWSA-N 1 0 243.694 2.268 10 5 BEBERO C/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000034451600 350469007 /nfs/dbraw/zinc/46/90/07/350469007.db2.gz IAZWJSGUXQGMOB-NSCUHMNNSA-N 1 0 206.245 2.261 10 5 BEBERO Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382420733 350740042 /nfs/dbraw/zinc/74/00/42/350740042.db2.gz JYOUGYPZGRJMFM-WDEREUQCSA-N 1 0 249.314 2.443 10 5 BEBERO O=[N+]([O-])c1ccc(S[C@@H]2CC[NH2+]C2)cc1 ZINC000051784098 187469930 /nfs/dbraw/zinc/46/99/30/187469930.db2.gz QMCRLRKOQQAIDM-SNVBAGLBSA-N 1 0 224.285 2.049 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382433910 350776236 /nfs/dbraw/zinc/77/62/36/350776236.db2.gz TXKLWNAGDXZENG-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO C[C@@H]([NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000063024747 350782968 /nfs/dbraw/zinc/78/29/68/350782968.db2.gz YPOVFIAUVMLFEW-ZCFIWIBFSA-N 1 0 214.652 2.138 10 5 BEBERO Cc1c(Br)cc(C[NH3+])cc1[N+](=O)[O-] ZINC000306700066 350848722 /nfs/dbraw/zinc/84/87/22/350848722.db2.gz YDKWRRDXXGORDB-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO C[C@H]1C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000052278731 350975583 /nfs/dbraw/zinc/97/55/83/350975583.db2.gz VKWDSZVTDIMIGN-JOYOIKCWSA-N 1 0 220.272 2.135 10 5 BEBERO Cc1ccc(C[NH3+])c(Br)c1[N+](=O)[O-] ZINC000306762424 350989230 /nfs/dbraw/zinc/98/92/30/350989230.db2.gz XWIQRHPXTDDVHW-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO [NH3+]Cc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 ZINC000306915111 351328034 /nfs/dbraw/zinc/32/80/34/351328034.db2.gz UBYZJSFGPUPYMH-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1cc(NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063171656 351269938 /nfs/dbraw/zinc/26/99/38/351269938.db2.gz BZNJCMSGCOYFNX-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO [NH3+]Cc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000307520213 352633642 /nfs/dbraw/zinc/63/36/42/352633642.db2.gz XIIYGDDEOZGTGN-UHFFFAOYSA-N 1 0 221.043 2.360 10 5 BEBERO Cc1cc(NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000035277234 356460528 /nfs/dbraw/zinc/46/05/28/356460528.db2.gz WVBRTBJSINAIKW-UHFFFAOYSA-N 1 0 235.287 2.067 10 5 BEBERO C[C@H]1Cc2c(cccc2[N+](=O)[O-])[C@H]([NH3+])C1 ZINC000675078820 538516231 /nfs/dbraw/zinc/51/62/31/538516231.db2.gz UFNZJXYBZCRSBC-OIBJUYFYSA-N 1 0 206.245 2.177 10 5 BEBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000389724679 357020158 /nfs/dbraw/zinc/02/01/58/357020158.db2.gz JQKKLJNNDFCXNT-JOYOIKCWSA-N 1 0 235.287 2.005 10 5 BEBERO Cc1ccc(N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000389732914 357089112 /nfs/dbraw/zinc/08/91/12/357089112.db2.gz RQYJQIKAWDKTDU-CMPLNLGQSA-N 1 0 249.314 2.313 10 5 BEBERO [NH3+]CCc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000061798261 181413098 /nfs/dbraw/zinc/41/30/98/181413098.db2.gz DNIFIQPQZVPWJM-UHFFFAOYSA-N 1 0 249.295 2.220 10 5 BEBERO [NH3+][C@@H]1CCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000063176618 181584714 /nfs/dbraw/zinc/58/47/14/181584714.db2.gz UJHAZKSIBYOUFA-RKDXNWHRSA-N 1 0 239.250 2.026 10 5 BEBERO O=[N+]([O-])c1cc(C[NH2+]C2CC2)c(F)cc1F ZINC000037183874 182922152 /nfs/dbraw/zinc/92/21/52/182922152.db2.gz CINZLPAHEVFNOX-UHFFFAOYSA-N 1 0 228.198 2.125 10 5 BEBERO CCC[NH2+]CCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000051869511 169260691 /nfs/dbraw/zinc/26/06/91/169260691.db2.gz UXUBZTDQENOWHY-UHFFFAOYSA-N 1 0 242.250 2.112 10 5 BEBERO [NH3+]Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000044249897 384542288 /nfs/dbraw/zinc/54/22/88/384542288.db2.gz ACRLXSLKDHUZGC-UHFFFAOYSA-N 1 0 220.150 2.072 10 5 BEBERO C[C@H](C[C@H](C)[NH3+])Nc1c(F)cccc1[N+](=O)[O-] ZINC000320638849 384778153 /nfs/dbraw/zinc/77/81/53/384778153.db2.gz DFSGFZOGOKIAHY-JGVFFNPUSA-N 1 0 241.266 2.272 10 5 BEBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cc1 ZINC000320580986 384741944 /nfs/dbraw/zinc/74/19/44/384741944.db2.gz UJELWHSLQCQGDL-DTWKUNHWSA-N 1 0 223.276 2.133 10 5 BEBERO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000093212827 386107606 /nfs/dbraw/zinc/10/76/06/386107606.db2.gz XCDQQJMEHNFPAQ-KOLCDFICSA-N 1 0 235.287 2.277 10 5 BEBERO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000063171423 386337872 /nfs/dbraw/zinc/33/78/72/386337872.db2.gz PCWYDAAWHPRDQI-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO [NH3+][C@H](CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000575437292 387107051 /nfs/dbraw/zinc/10/70/51/387107051.db2.gz CLMJATDJGOYLCM-MRVPVSSYSA-N 1 0 216.187 2.250 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000575437760 387110778 /nfs/dbraw/zinc/11/07/78/387110778.db2.gz SRYGJJDDDAUPKJ-ZETCQYMHSA-N 1 0 234.177 2.389 10 5 BEBERO [NH3+][C@H](CCF)c1cc(F)ccc1[N+](=O)[O-] ZINC000575438240 387113362 /nfs/dbraw/zinc/11/33/62/387113362.db2.gz FUISUXJSXUHICN-MRVPVSSYSA-N 1 0 216.187 2.093 10 5 BEBERO Cc1c(OCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000035283326 177624979 /nfs/dbraw/zinc/62/49/79/177624979.db2.gz AZFWYFYDZBOAJM-UHFFFAOYSA-N 1 0 238.287 2.280 10 5 BEBERO Cc1ccc(N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531996 132224856 /nfs/dbraw/zinc/22/48/56/132224856.db2.gz LMMYGXOMTWFGQN-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1ccc(N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000250971312 132303845 /nfs/dbraw/zinc/30/38/45/132303845.db2.gz AYFWESCZVYCQEB-WDEREUQCSA-N 1 0 249.314 2.090 10 5 BEBERO Cc1ccc([N+](=O)[O-])cc1N1CCC[C@H](C[NH3+])C1 ZINC000053734925 132363545 /nfs/dbraw/zinc/36/35/45/132363545.db2.gz WQZHSOJMBIFLEZ-LLVKDONJSA-N 1 0 249.314 2.078 10 5 BEBERO Cc1cc(C[NH3+])cc(Br)c1[N+](=O)[O-] ZINC000307134142 397986496 /nfs/dbraw/zinc/98/64/96/397986496.db2.gz ZWHIBMNIPPMLDG-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO CC(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035307923 167117188 /nfs/dbraw/zinc/11/71/88/167117188.db2.gz DKHYONHCAYCEDA-UHFFFAOYSA-N 1 0 212.224 2.232 10 5 BEBERO CC[N@@H+]1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328191712 170022921 /nfs/dbraw/zinc/02/29/21/170022921.db2.gz PPBWJSMVNNLXKZ-NSHDSACASA-N 1 0 249.314 2.409 10 5 BEBERO CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000006385334 170125591 /nfs/dbraw/zinc/12/55/91/170125591.db2.gz MARLMDUKNXOVCF-UHFFFAOYSA-N 1 0 214.652 2.358 10 5 BEBERO COc1cc([N+](=O)[O-])ccc1[C@H]1CCC[NH2+]1 ZINC000072202307 175018545 /nfs/dbraw/zinc/01/85/45/175018545.db2.gz ZGNDRAXEXAOFQO-SNVBAGLBSA-N 1 0 222.244 2.028 10 5 BEBERO C[C@H]([NH3+])[C@@H](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000037947424 176763748 /nfs/dbraw/zinc/76/37/48/176763748.db2.gz WEFPIUMASTZOJS-YUMQZZPRSA-N 1 0 226.251 2.260 10 5 BEBERO C[C@H]([NH3+])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000083591718 176774819 /nfs/dbraw/zinc/77/48/19/176774819.db2.gz YSHNSKREVGSQBV-YFKPBYRVSA-N 1 0 200.625 2.268 10 5 BEBERO C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000104412212 177342050 /nfs/dbraw/zinc/34/20/50/177342050.db2.gz AXZSESKITPVNCQ-VHSXEESVSA-N 1 0 249.314 2.265 10 5 BEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000320674545 323183193 /nfs/dbraw/zinc/18/31/93/323183193.db2.gz KCPARGMZAQMZNW-HTQZYQBOSA-N 1 0 241.266 2.272 10 5 BEBERO Cc1ccc(N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000319979069 323526426 /nfs/dbraw/zinc/52/64/26/323526426.db2.gz FOVOLGRANQPWIS-NXEZZACHSA-N 1 0 237.303 2.441 10 5 BEBERO CC[C@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@H]1[NH3+] ZINC000757176046 586433455 /nfs/dbraw/zinc/43/34/55/586433455.db2.gz WJUZYETTWUEGKU-SCZZXKLOSA-N 1 0 222.244 2.074 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000311077426 634213324 /nfs/dbraw/zinc/21/33/24/634213324.db2.gz WASCFKSUVTZFMO-MNOVXSKESA-N 1 0 249.314 2.443 10 5 BEBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251926493 635623932 /nfs/dbraw/zinc/62/39/32/635623932.db2.gz YWCMFIJLSRUQPM-GXFFZTMASA-N 1 0 249.314 2.158 10 5 BEBERO Cc1ccc(N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227078074 640814391 /nfs/dbraw/zinc/81/43/91/640814391.db2.gz UCQLXUAOQQVRDQ-QWRGUYRKSA-N 1 0 249.314 2.077 10 5 BEBERO C[C@@H]([NH3+])CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228429287 640874273 /nfs/dbraw/zinc/87/42/73/640874273.db2.gz KSVKPFFSCDNNSF-SSDOTTSWSA-N 1 0 243.694 2.397 10 5 BEBERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070174871 642985843 /nfs/dbraw/zinc/98/58/43/642985843.db2.gz FVJVWEDIKNJYBI-QWRGUYRKSA-N 1 0 249.314 2.158 10 5 BEBERO CC(C)([NH3+])CCNc1ccc([N+](=O)[O-])cc1 ZINC000304581997 643262659 /nfs/dbraw/zinc/26/26/59/643262659.db2.gz JXCKDACOLGMEOB-UHFFFAOYSA-N 1 0 223.276 2.134 10 5 BEBERO Cc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000086471320 644140984 /nfs/dbraw/zinc/14/09/84/644140984.db2.gz AYFWESCZVYCQEB-QWRGUYRKSA-N 1 0 249.314 2.090 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CC[NH3+])C2)c1 ZINC000723674832 711532901 /nfs/dbraw/zinc/53/29/01/711532901.db2.gz AJNCHLGRYSAVQN-NSHDSACASA-N 1 0 249.314 2.078 10 5 BEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000723916014 711544830 /nfs/dbraw/zinc/54/48/30/711544830.db2.gz QNOCNHINIMRGFG-GHMZBOCLSA-N 1 0 249.314 2.016 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000721877486 711794689 /nfs/dbraw/zinc/79/46/89/711794689.db2.gz YZSBLJKLQGGHKA-LBPRGKRZSA-N 1 0 249.314 2.313 10 5 BEBERO [NH3+][C@@H]1CCCCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000709043225 712206641 /nfs/dbraw/zinc/20/66/41/712206641.db2.gz MDSGLPLKAICWLN-LLVKDONJSA-N 1 0 249.314 2.303 10 5 BEBERO [NH3+][C@H]1CCCCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000709043226 712206788 /nfs/dbraw/zinc/20/67/88/712206788.db2.gz MDSGLPLKAICWLN-NSHDSACASA-N 1 0 249.314 2.303 10 5 BEBERO Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000715072869 712505968 /nfs/dbraw/zinc/50/59/68/712505968.db2.gz AOZICBCCLLQMEF-AOOOYVTPSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000715073477 712506266 /nfs/dbraw/zinc/50/62/66/712506266.db2.gz OTSVZGZZSWDXJE-AOOOYVTPSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1cccc(NCC2CC([NH3+])C2)c1[N+](=O)[O-] ZINC000715097248 712508372 /nfs/dbraw/zinc/50/83/72/712508372.db2.gz REMMQCXLDZNQNW-UHFFFAOYSA-N 1 0 235.287 2.052 10 5 BEBERO Cc1ccc(N2C[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000720833952 712868703 /nfs/dbraw/zinc/86/87/03/712868703.db2.gz IEJRTDIFSNRJMA-GFCCVEGCSA-N 1 0 249.314 2.077 10 5 BEBERO Cc1cc(C[NH3+])c(Br)c([N+](=O)[O-])c1 ZINC000307633460 398137879 /nfs/dbraw/zinc/13/78/79/398137879.db2.gz NZAJAOKDLSCEEA-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO Cc1cc(NCC[C@H](C)[NH3+])c(F)cc1[N+](=O)[O-] ZINC000336711727 178162834 /nfs/dbraw/zinc/16/28/34/178162834.db2.gz NNXPFCBWKVIRMM-QMMMGPOBSA-N 1 0 241.266 2.192 10 5 BEBERO CC[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000082579353 133502725 /nfs/dbraw/zinc/50/27/25/133502725.db2.gz DZEUTRKZSZWJNO-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H](C)[NH3+] ZINC000381583189 344523196 /nfs/dbraw/zinc/52/31/96/344523196.db2.gz JZBJRKSLULIZSX-DTWKUNHWSA-N 1 0 223.276 2.051 10 5 BEBERO Cc1cc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000044493312 345095879 /nfs/dbraw/zinc/09/58/79/345095879.db2.gz FTUXTFRFGUWKKB-GFCCVEGCSA-N 1 0 249.314 2.457 10 5 BEBERO Cc1cc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000044493310 345096126 /nfs/dbraw/zinc/09/61/26/345096126.db2.gz FTUXTFRFGUWKKB-LBPRGKRZSA-N 1 0 249.314 2.457 10 5 BEBERO Nc1ccc(C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000050792634 345266207 /nfs/dbraw/zinc/26/62/07/345266207.db2.gz PKLFEINENGAXPR-UHFFFAOYSA-N 1 0 235.287 2.163 10 5 BEBERO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1F ZINC000070447822 345716828 /nfs/dbraw/zinc/71/68/28/345716828.db2.gz NXXNZRCSJHCJNN-SNVBAGLBSA-N 1 0 241.266 2.129 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N[C@H](C)CCC[NH3+] ZINC000310379857 179206972 /nfs/dbraw/zinc/20/69/72/179206972.db2.gz BENPMUBRGADSFD-SNVBAGLBSA-N 1 0 237.303 2.443 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1N1CCC(C)([NH3+])CC1 ZINC000591434424 347659956 /nfs/dbraw/zinc/65/99/56/347659956.db2.gz GNFNHODAFJOFIO-UHFFFAOYSA-N 1 0 249.314 2.221 10 5 BEBERO COc1cc(C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000203797612 348218010 /nfs/dbraw/zinc/21/80/10/348218010.db2.gz HFZVWVBMICQOBI-UHFFFAOYSA-N 1 0 236.271 2.199 10 5 BEBERO [NH3+]C[C@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000382416081 350600003 /nfs/dbraw/zinc/60/00/03/350600003.db2.gz HLNVDELINXFJGJ-VHSXEESVSA-N 1 0 235.287 2.134 10 5 BEBERO Cc1c([C@H](C)[NH3+])cnn1-c1cccc([N+](=O)[O-])c1 ZINC000034956956 351362002 /nfs/dbraw/zinc/36/20/02/351362002.db2.gz ZNQMVGVIGMJTFW-QMMMGPOBSA-N 1 0 246.270 2.109 10 5 BEBERO Cc1ccc(Br)c(C[NH3+])c1[N+](=O)[O-] ZINC000307015009 351422897 /nfs/dbraw/zinc/42/28/97/351422897.db2.gz SZNPEPRPVYMJDH-UHFFFAOYSA-N 1 0 245.076 2.124 10 5 BEBERO C[C@@]1([NH3+])CC=C(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000725272082 538103688 /nfs/dbraw/zinc/10/36/88/538103688.db2.gz GSBVVVUCPCGCCT-GFCCVEGCSA-N 1 0 233.271 2.275 10 5 BEBERO O=[N+]([O-])c1ccc(S[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501679 188121995 /nfs/dbraw/zinc/12/19/95/188121995.db2.gz GJXKNBYEQKCZIJ-LLVKDONJSA-N 1 0 238.312 2.439 10 5 BEBERO CC1(C)[C@@H]([NH3+])[C@@H]1c1csc([N+](=O)[O-])c1 ZINC000300986484 363259760 /nfs/dbraw/zinc/25/97/60/363259760.db2.gz LDQFFLGMCILPLB-YUMQZZPRSA-N 1 0 212.274 2.107 10 5 BEBERO C[N@H+]1CC=C(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116781113 368343115 /nfs/dbraw/zinc/34/31/15/368343115.db2.gz BUFCNFXRGDNPBC-UHFFFAOYSA-N 1 0 232.283 2.399 10 5 BEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000600950641 371712683 /nfs/dbraw/zinc/71/26/83/371712683.db2.gz AYLUNMOZJYTOBD-VHSXEESVSA-N 1 0 235.287 2.147 10 5 BEBERO O=[N+]([O-])c1ccccc1S[C@@H]1CCC[NH2+]C1 ZINC000043501677 182951893 /nfs/dbraw/zinc/95/18/93/182951893.db2.gz CLQOIEYOJNUARQ-SECBINFHSA-N 1 0 238.312 2.439 10 5 BEBERO CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083366730 169268447 /nfs/dbraw/zinc/26/84/47/169268447.db2.gz PPIKBFULEDSMIP-UHFFFAOYSA-N 1 0 239.231 2.003 10 5 BEBERO C[C@H](CC[NH3+])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000310142916 383957639 /nfs/dbraw/zinc/95/76/39/383957639.db2.gz NIGZYNSVYGGMJL-ZCFIWIBFSA-N 1 0 245.229 2.022 10 5 BEBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000320580987 384743681 /nfs/dbraw/zinc/74/36/81/384743681.db2.gz UJELWHSLQCQGDL-IUCAKERBSA-N 1 0 223.276 2.133 10 5 BEBERO O=[N+]([O-])c1cc(F)ccc1[C@@H]1CCC[NH2+]1 ZINC000072202001 384811680 /nfs/dbraw/zinc/81/16/80/384811680.db2.gz URQCBADENKPAHV-VIFPVBQESA-N 1 0 210.208 2.158 10 5 BEBERO C[C@@H]1[NH2+]CC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575434089 387058675 /nfs/dbraw/zinc/05/86/75/387058675.db2.gz IZADRDLPUNDXTG-QMMMGPOBSA-N 1 0 218.256 2.291 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000575438662 387131605 /nfs/dbraw/zinc/13/16/05/387131605.db2.gz MTMVCWXLKIUPMX-ZETCQYMHSA-N 1 0 216.187 2.250 10 5 BEBERO [NH3+][C@@H](CC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000575437814 387110724 /nfs/dbraw/zinc/11/07/24/387110724.db2.gz VJSCUISSDGXZFZ-ZETCQYMHSA-N 1 0 234.177 2.389 10 5 BEBERO CC[N+](CC)(CC)Cc1csc(N)n1 ZINC000316772629 387359280 /nfs/dbraw/zinc/35/92/80/387359280.db2.gz ICPSWEPQFHVJAX-UHFFFAOYSA-N 1 0 214.358 2.102 10 5 BEBERO Cc1cccc([N+](=O)[O-])c1NC[C@H]([NH3+])C(C)C ZINC000158943565 134755303 /nfs/dbraw/zinc/75/53/03/134755303.db2.gz MFWVIIJBQVOYJH-JTQLQIEISA-N 1 0 237.303 2.298 10 5 BEBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]([NH3+])C(C)C ZINC000070447865 134918847 /nfs/dbraw/zinc/91/88/47/134918847.db2.gz SXSCMJDRNVAUOX-LLVKDONJSA-N 1 0 237.303 2.298 10 5 BEBERO CC[C@@H]([NH3+])CNc1cc(C)ccc1[N+](=O)[O-] ZINC000087151085 135107874 /nfs/dbraw/zinc/10/78/74/135107874.db2.gz ZMMRVSOTJYUGGP-SECBINFHSA-N 1 0 223.276 2.052 10 5 BEBERO C[C@H]([NH3+])[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261572831 135214994 /nfs/dbraw/zinc/21/49/94/135214994.db2.gz IJBQOIVMWOENJK-BQBZGAKWSA-N 1 0 243.694 2.396 10 5 BEBERO C[C@@H]([NH3+])[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261572834 135215314 /nfs/dbraw/zinc/21/53/14/135215314.db2.gz IJBQOIVMWOENJK-RQJHMYQMSA-N 1 0 243.694 2.396 10 5 BEBERO CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328455390 170022348 /nfs/dbraw/zinc/02/23/48/170022348.db2.gz FEKCXEOBXBCTQF-NSHDSACASA-N 1 0 235.287 2.101 10 5 BEBERO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1 ZINC000038043385 170112398 /nfs/dbraw/zinc/11/23/98/170112398.db2.gz DWOBWKJBIMBYLI-UHFFFAOYSA-N 1 0 223.276 2.006 10 5 BEBERO CC[NH2+]CCCOc1cccc([N+](=O)[O-])c1C ZINC000035283321 170112483 /nfs/dbraw/zinc/11/24/83/170112483.db2.gz PUERZZAGCVOKGP-UHFFFAOYSA-N 1 0 238.287 2.282 10 5 BEBERO C[NH2+]C[C@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000133296840 173380796 /nfs/dbraw/zinc/38/07/96/173380796.db2.gz ITTZHRMFHLTQEI-LLVKDONJSA-N 1 0 249.314 2.091 10 5 BEBERO COc1ccc(C[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000037947524 175117271 /nfs/dbraw/zinc/11/72/71/175117271.db2.gz MAAAEOZWKNSJMJ-IUCAKERBSA-N 1 0 238.287 2.129 10 5 BEBERO COc1ccc([N+](=O)[O-])cc1C[C@H](C)[C@H](C)[NH3+] ZINC000037947428 175201131 /nfs/dbraw/zinc/20/11/31/175201131.db2.gz MHJSCVVARLHPEI-IUCAKERBSA-N 1 0 238.287 2.129 10 5 BEBERO C[C@@H]1CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050791644 176108472 /nfs/dbraw/zinc/10/84/72/176108472.db2.gz YHAWMLRBHFLBRO-SECBINFHSA-N 1 0 235.287 2.161 10 5 BEBERO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000104412209 176391808 /nfs/dbraw/zinc/39/18/08/176391808.db2.gz AXZSESKITPVNCQ-NXEZZACHSA-N 1 0 249.314 2.265 10 5 BEBERO C[C@H](CNc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000038089151 176686368 /nfs/dbraw/zinc/68/63/68/176686368.db2.gz DMGFJAJJZLFCSV-MRVPVSSYSA-N 1 0 241.266 2.096 10 5 BEBERO C[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000063171422 176759849 /nfs/dbraw/zinc/75/98/49/176759849.db2.gz PCWYDAAWHPRDQI-ZETCQYMHSA-N 1 0 243.694 2.397 10 5 BEBERO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000053204715 536366041 /nfs/dbraw/zinc/36/60/41/536366041.db2.gz NOQJMVHRHUEECZ-LLVKDONJSA-N 1 0 249.314 2.091 10 5 BEBERO