smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]ccc(NCC[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000596256760 347405694 /nfs/dbraw/zinc/40/56/94/347405694.db2.gz GUKPAFJEQRHOFJ-GFCCVEGCSA-N -1 3 299.330 3.227 20 5 CGBDHM CCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596161637 347392361 /nfs/dbraw/zinc/39/23/61/347392361.db2.gz XUPBLOKVEITQOV-UHFFFAOYSA-N -1 3 265.313 3.078 20 5 CGBDHM O=c1[n-]ccc(NCC2(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596168819 347394008 /nfs/dbraw/zinc/39/40/08/347394008.db2.gz COECQBZGCLDQOK-UHFFFAOYSA-N -1 3 299.330 3.130 20 5 CGBDHM CCC1(CC)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596207027 347398315 /nfs/dbraw/zinc/39/83/15/347398315.db2.gz YOTAFMIOGYPIJQ-UHFFFAOYSA-N -1 3 293.367 3.492 20 5 CGBDHM C[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596204829 347398453 /nfs/dbraw/zinc/39/84/53/347398453.db2.gz YYNYEDGAQCYWEN-ZJUUUORDSA-N -1 3 265.313 3.076 20 5 CGBDHM O=c1[n-]ccc(N[C@H]2C[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596215370 347399916 /nfs/dbraw/zinc/39/99/16/347399916.db2.gz BQZHZFAOVICOHK-HAQNSBGRSA-N -1 3 285.303 3.054 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000352027235 219291975 /nfs/dbraw/zinc/29/19/75/219291975.db2.gz NGKOWIPTZRDEBX-HWKANZROSA-N -1 3 291.694 3.223 20 5 CGBDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000291915518 198104429 /nfs/dbraw/zinc/10/44/29/198104429.db2.gz RCVPCGKZYQPKLA-SECBINFHSA-N -1 3 281.312 3.002 20 5 CGBDHM Cc1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000109738563 370364871 /nfs/dbraw/zinc/36/48/71/370364871.db2.gz AGXSBHHPCIHMEG-UHFFFAOYSA-N -1 3 297.723 3.265 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2ccccc2)C1 ZINC000507098873 375673262 /nfs/dbraw/zinc/67/32/62/375673262.db2.gz VSZVRFWGXPHQAA-AWEZNQCLSA-N -1 3 298.342 3.290 20 5 CGBDHM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339051069 376647337 /nfs/dbraw/zinc/64/73/37/376647337.db2.gz SVBQCWPWWKWKMU-RYUDHWBXSA-N -1 3 278.352 3.168 20 5 CGBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000339175310 376727259 /nfs/dbraw/zinc/72/72/59/376727259.db2.gz WREDHYFDWRJWRL-UHFFFAOYSA-N -1 3 264.325 3.065 20 5 CGBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000277964522 379273174 /nfs/dbraw/zinc/27/31/74/379273174.db2.gz KZWGENFHMHBKHI-UHFFFAOYSA-N -1 3 287.323 3.353 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]2CCC[C@H]21 ZINC000408072029 379991494 /nfs/dbraw/zinc/99/14/94/379991494.db2.gz QHAOBGYNYOFAKL-BXUZGUMPSA-N -1 3 276.336 3.065 20 5 CGBDHM CC(C)c1ccc(CN(C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000414640122 380350668 /nfs/dbraw/zinc/35/06/68/380350668.db2.gz RGIWDYPMVHOQOC-UHFFFAOYSA-N -1 3 294.351 3.015 20 5 CGBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc([O-])c1F ZINC000128178232 287305252 /nfs/dbraw/zinc/30/52/52/287305252.db2.gz QOXOYELNKNKYAD-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccccc2[O-])n1 ZINC000547101440 288948669 /nfs/dbraw/zinc/94/86/69/288948669.db2.gz MAFMVHBXKDBDIO-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM O=c1[n-]ccc(NC[C@@H]2CCC=CCCC2)c1[N+](=O)[O-] ZINC000897246332 620171316 /nfs/dbraw/zinc/17/13/16/620171316.db2.gz SDOHDCQKTKFLNA-LLVKDONJSA-N -1 3 277.324 3.244 20 5 CGBDHM O=C([N-]OC1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000779323410 628408343 /nfs/dbraw/zinc/40/83/43/628408343.db2.gz NJTGOJWMPFNLDK-UHFFFAOYSA-N -1 3 298.726 3.242 20 5 CGBDHM Cc1c2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2ccc1F ZINC001250880082 805792963 /nfs/dbraw/zinc/79/29/63/805792963.db2.gz GMZCPQGWNHZLLN-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM O=c1[n-]ccc(Sc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001162004538 806498931 /nfs/dbraw/zinc/49/89/31/806498931.db2.gz SGDCKXCUVSPIOX-UHFFFAOYSA-N -1 3 288.328 3.335 20 5 CGBDHM CC(C)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)no1 ZINC001148269602 805172389 /nfs/dbraw/zinc/17/23/89/805172389.db2.gz NNUCSRQCCMWMQQ-UHFFFAOYSA-N -1 3 293.254 3.098 20 5 CGBDHM Cc1ccnc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815058 811598663 /nfs/dbraw/zinc/59/86/63/811598663.db2.gz SEDOIIHCFYSLAE-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(Cl)cccc2CO)c1 ZINC001201222843 811799668 /nfs/dbraw/zinc/79/96/68/811799668.db2.gz PYNRRCRVNQGFSA-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM COc1ccc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223784 811800220 /nfs/dbraw/zinc/80/02/20/811800220.db2.gz GFFYXPYHNPVMDM-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(CO)cc2Cl)c1 ZINC001201232559 811802687 /nfs/dbraw/zinc/80/26/87/811802687.db2.gz RQVJNJVEXVWLIN-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM Cc1cccc2c1CC[C@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663128 817131750 /nfs/dbraw/zinc/13/17/50/817131750.db2.gz ZAEGPHKEYDQJPP-CYBMUJFWSA-N -1 3 286.287 3.070 20 5 CGBDHM CC1(C)CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666772 817133240 /nfs/dbraw/zinc/13/32/40/817133240.db2.gz MDLYPOCRHFQNPF-VIFPVBQESA-N -1 3 266.297 3.043 20 5 CGBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225666501 817133363 /nfs/dbraw/zinc/13/33/63/817133363.db2.gz JSQYWYITGCEDNM-QMMMGPOBSA-N -1 3 294.694 3.489 20 5 CGBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1F ZINC001225668030 817134664 /nfs/dbraw/zinc/13/46/64/817134664.db2.gz XYJIIGJWUPMYBI-ZETCQYMHSA-N -1 3 296.229 3.114 20 5 CGBDHM CCC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)(C)C ZINC001227690743 817694906 /nfs/dbraw/zinc/69/49/06/817694906.db2.gz KLDILZCDUNZHLG-SNVBAGLBSA-N -1 3 292.339 3.460 20 5 CGBDHM CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)(C)C ZINC001227691538 817695698 /nfs/dbraw/zinc/69/56/98/817695698.db2.gz PETLIYDUHQWJDC-SECBINFHSA-N -1 3 278.312 3.070 20 5 CGBDHM Cc1cc2[n-]c(OC3CCSCC3)nc2cc1[N+](=O)[O-] ZINC001228674727 817969887 /nfs/dbraw/zinc/96/98/87/817969887.db2.gz LSLKXBNXSUBLAC-UHFFFAOYSA-N -1 3 293.348 3.054 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001228687561 817973127 /nfs/dbraw/zinc/97/31/27/817973127.db2.gz YNMYWDBXHOTKJY-IUCAKERBSA-N -1 3 280.324 3.207 20 5 CGBDHM O=c1[n-]ccc(SCc2c(F)cccc2F)c1[N+](=O)[O-] ZINC001458414352 937461417 /nfs/dbraw/zinc/46/14/17/937461417.db2.gz MPPYRNKNNCMHSP-UHFFFAOYSA-N -1 3 298.270 3.266 20 5 CGBDHM CCCC[C@H](CCC)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596150093 347390519 /nfs/dbraw/zinc/39/05/19/347390519.db2.gz FNCVYKKUJVPURG-JTQLQIEISA-N -1 3 267.329 3.466 20 5 CGBDHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155980 347391060 /nfs/dbraw/zinc/39/10/60/347391060.db2.gz XPKCANUZBCHBFP-YPMHNXCESA-N -1 3 299.330 3.078 20 5 CGBDHM C[C@@H](CC1CCCCC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596213801 347399030 /nfs/dbraw/zinc/39/90/30/347399030.db2.gz GYAIUSSATXYZLH-JTQLQIEISA-N -1 3 279.340 3.466 20 5 CGBDHM O=[N+]([O-])c1sccc1NCc1ccc([O-])c(F)c1 ZINC000609965111 348359113 /nfs/dbraw/zinc/35/91/13/348359113.db2.gz WRQFCTDVJYHRLJ-UHFFFAOYSA-N -1 3 268.269 3.113 20 5 CGBDHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291733998 198073984 /nfs/dbraw/zinc/07/39/84/198073984.db2.gz INWQYUPDTAJGBZ-SECBINFHSA-N -1 3 281.312 3.002 20 5 CGBDHM C[C@@H](NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153458987 371770753 /nfs/dbraw/zinc/77/07/53/371770753.db2.gz RVKMSGFAWREKEE-SNVBAGLBSA-N -1 3 290.294 3.290 20 5 CGBDHM CCCCn1ncc([N-]c2nc(C)ccc2[N+](=O)[O-])c1C ZINC000448104137 373547782 /nfs/dbraw/zinc/54/77/82/373547782.db2.gz BAELCPASXLLQBG-UHFFFAOYSA-N -1 3 289.339 3.347 20 5 CGBDHM CCC1(CC)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339010377 376628478 /nfs/dbraw/zinc/62/84/78/376628478.db2.gz ADARBYAJONDCFL-UHFFFAOYSA-N -1 3 278.352 3.313 20 5 CGBDHM Cc1cnc([N-]c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000361267753 392274280 /nfs/dbraw/zinc/27/42/80/392274280.db2.gz ZKTHFIDNRJTFBN-UHFFFAOYSA-N -1 3 295.302 3.228 20 5 CGBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC([O-])=NOC/C=C/Cl ZINC000290011163 392440055 /nfs/dbraw/zinc/44/00/55/392440055.db2.gz ZLSPQKDGEURYCB-ONEGZZNKSA-N -1 3 299.714 3.017 20 5 CGBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OC/C=C/Cl ZINC000290011163 392440060 /nfs/dbraw/zinc/44/00/60/392440060.db2.gz ZLSPQKDGEURYCB-ONEGZZNKSA-N -1 3 299.714 3.017 20 5 CGBDHM Cc1ccc([O-])c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000316075325 270092863 /nfs/dbraw/zinc/09/28/63/270092863.db2.gz QAPMTCKANDVGLI-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM CC[C@H]1CCCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339002668 288188103 /nfs/dbraw/zinc/18/81/03/288188103.db2.gz BLTPMACSDACODJ-ZDUSSCGKSA-N -1 3 278.352 3.455 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000752878708 626441397 /nfs/dbraw/zinc/44/13/97/626441397.db2.gz DGHMQDURCIEBBW-HWKANZROSA-N -1 3 291.694 3.223 20 5 CGBDHM CC(C)(C)SCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853547489 637866525 /nfs/dbraw/zinc/86/65/25/637866525.db2.gz UBKLZXJGIWSQJN-UHFFFAOYSA-N -1 3 288.394 3.319 20 5 CGBDHM COc1ccc(Nc2cccc(F)c2[O-])cc1[N+](=O)[O-] ZINC001176363237 809677830 /nfs/dbraw/zinc/67/78/30/809677830.db2.gz KWZXKVYHYTVHOI-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM Cc1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199814642 811598954 /nfs/dbraw/zinc/59/89/54/811598954.db2.gz MFCJQOMYXKPLOH-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)cn2)c1 ZINC001199800893 811599268 /nfs/dbraw/zinc/59/92/68/811599268.db2.gz KJJKFTCWPHAZAZ-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)sc1C ZINC001199802265 811599303 /nfs/dbraw/zinc/59/93/03/811599303.db2.gz NFFRMRFJQHUCIY-UHFFFAOYSA-N -1 3 265.294 3.117 20 5 CGBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001199828733 811600136 /nfs/dbraw/zinc/60/01/36/811600136.db2.gz QSANREPQMLJOBS-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1nc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccn2c1C ZINC001199828176 811600926 /nfs/dbraw/zinc/60/09/26/811600926.db2.gz BVCQAVICJJLSLE-UHFFFAOYSA-N -1 3 298.302 3.309 20 5 CGBDHM CCCCC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693872 817695816 /nfs/dbraw/zinc/69/58/16/817695816.db2.gz YXFQABSNXAYVDF-SECBINFHSA-N -1 3 278.312 3.214 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001228685566 817971983 /nfs/dbraw/zinc/97/19/83/817971983.db2.gz IAMLGAGNMVYYFV-SNVBAGLBSA-N -1 3 288.303 3.014 20 5 CGBDHM CCCC[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687195 817973989 /nfs/dbraw/zinc/97/39/89/817973989.db2.gz UMMWYTSKIIZXIT-JTQLQIEISA-N -1 3 268.313 3.351 20 5 CGBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3C=CCC3)nc2cc1Cl ZINC001233505810 818628699 /nfs/dbraw/zinc/62/86/99/818628699.db2.gz HJZFBSZSDFDOMY-ZETCQYMHSA-N -1 3 279.683 3.222 20 5 CGBDHM CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733196 347109382 /nfs/dbraw/zinc/10/93/82/347109382.db2.gz WPRLSRZYQFESPU-ZDUSSCGKSA-N -1 3 292.335 3.058 20 5 CGBDHM O=c1[n-]ccc(NC[C@@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000596242797 347403634 /nfs/dbraw/zinc/40/36/34/347403634.db2.gz YWQAOBIMRMWKSM-ZDUSSCGKSA-N -1 3 299.330 3.301 20 5 CGBDHM C[C@@H](CCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596055144 347378308 /nfs/dbraw/zinc/37/83/08/347378308.db2.gz FPUOKRBELFFVDA-NSHDSACASA-N -1 3 287.319 3.129 20 5 CGBDHM C[C@H]1C[C@@H](c2ccccc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596129169 347386048 /nfs/dbraw/zinc/38/60/48/347386048.db2.gz PJPYPYUULLCRRF-WCQYABFASA-N -1 3 299.330 3.078 20 5 CGBDHM CC(C)CCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184714 347395984 /nfs/dbraw/zinc/39/59/84/347395984.db2.gz UTJRQXZARSPAPD-UHFFFAOYSA-N -1 3 256.327 3.224 20 5 CGBDHM CC(C)(C)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000301731120 201164671 /nfs/dbraw/zinc/16/46/71/201164671.db2.gz DOVOUYKKEXAOIC-UHFFFAOYSA-N -1 3 295.730 3.338 20 5 CGBDHM CC(C)(C)[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339083298 376666423 /nfs/dbraw/zinc/66/64/23/376666423.db2.gz MIRWUVQENXJZJE-LBPRGKRZSA-N -1 3 278.352 3.168 20 5 CGBDHM CC[C@H]1CC[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456522 281116534 /nfs/dbraw/zinc/11/65/34/281116534.db2.gz PNDLXFJCFGISTR-JQWIXIFHSA-N -1 3 264.325 3.063 20 5 CGBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc2occc2[n-]1 ZINC000786028977 628908130 /nfs/dbraw/zinc/90/81/30/628908130.db2.gz AUFSSKPQKIAVLE-UHFFFAOYSA-N -1 3 286.243 3.026 20 5 CGBDHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000787172257 628999478 /nfs/dbraw/zinc/99/94/78/628999478.db2.gz UNOXMGNAHQXDMO-QEYVUMQQSA-N -1 3 283.287 3.207 20 5 CGBDHM O=c1[n-]ccc(NC2CCCCCCC2)c1[N+](=O)[O-] ZINC000695527458 799829894 /nfs/dbraw/zinc/82/98/94/799829894.db2.gz WZKJZKZBVNQGBH-UHFFFAOYSA-N -1 3 265.313 3.220 20 5 CGBDHM O=c1[n-]ccc(Nc2cccc(-c3ccon3)c2)c1[N+](=O)[O-] ZINC001164206033 806916153 /nfs/dbraw/zinc/91/61/53/806916153.db2.gz NHIBROPMBMFFGZ-UHFFFAOYSA-N -1 3 298.258 3.094 20 5 CGBDHM Cc1c2ccccc2oc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001185366557 810258555 /nfs/dbraw/zinc/25/85/55/810258555.db2.gz NZMXICQEDDCCQH-UHFFFAOYSA-N -1 3 299.286 3.362 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(Cl)c2F)c1 ZINC001199814377 811599278 /nfs/dbraw/zinc/59/92/78/811599278.db2.gz HWKASXJIVZJXID-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2C2CC2)c1 ZINC001199828917 811600902 /nfs/dbraw/zinc/60/09/02/811600902.db2.gz YVRNJTGZRYJOHQ-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM COc1cnc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199819133 811601345 /nfs/dbraw/zinc/60/13/45/811601345.db2.gz LHKJCUHMAHCUBR-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM Cc1cc(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201221683 811799244 /nfs/dbraw/zinc/79/92/44/811799244.db2.gz CZQBRJVOXOPJHG-UHFFFAOYSA-N -1 3 277.255 3.074 20 5 CGBDHM C[C@@H]1CCc2cc(N)ccc2N1c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222810 811799616 /nfs/dbraw/zinc/79/96/16/811799616.db2.gz SGIRMHBYWMNNGI-SNVBAGLBSA-N -1 3 299.330 3.355 20 5 CGBDHM CCc1ccc(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201231036 811800341 /nfs/dbraw/zinc/80/03/41/811800341.db2.gz CAEVKKLDQHZGCV-UHFFFAOYSA-N -1 3 273.292 3.189 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(Cl)c2CO)c1 ZINC001201224152 811800616 /nfs/dbraw/zinc/80/06/16/811800616.db2.gz JMBUGHMMHGZIGF-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM COc1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223272 811800683 /nfs/dbraw/zinc/80/06/83/811800683.db2.gz VTSVIUOPWKTSOV-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=c1ccc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc2[nH]1 ZINC001201224156 811802059 /nfs/dbraw/zinc/80/20/59/811802059.db2.gz JMUPWKBUBHVYKF-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM Cc1cccc2ncc(Nc3ccc([O-])c([N+](=O)[O-])c3)n21 ZINC001210396763 814444268 /nfs/dbraw/zinc/44/42/68/814444268.db2.gz ZMAYCTCLZZLHQT-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM Cc1ccc2c(c1)CC[C@@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225661604 817131077 /nfs/dbraw/zinc/13/10/77/817131077.db2.gz MWJPHFJNCQJKSP-ZDUSSCGKSA-N -1 3 286.287 3.070 20 5 CGBDHM CC(C)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225667316 817134198 /nfs/dbraw/zinc/13/41/98/817134198.db2.gz RDGQSJZFQJLVQH-CQSZACIVSA-N -1 3 288.303 3.472 20 5 CGBDHM CCC1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227691537 817695350 /nfs/dbraw/zinc/69/53/50/817695350.db2.gz PEAANVOZYSIERC-UHFFFAOYSA-N -1 3 290.323 3.214 20 5 CGBDHM Cc1ccc([C@@H](C)Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)cn1 ZINC001227744854 817710731 /nfs/dbraw/zinc/71/07/31/817710731.db2.gz JWZXHFDFDWOEEI-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM Cc1ccc([C@@H](C)Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)cn1 ZINC001227744854 817710736 /nfs/dbraw/zinc/71/07/36/817710736.db2.gz JWZXHFDFDWOEEI-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001228686750 817974027 /nfs/dbraw/zinc/97/40/27/817974027.db2.gz QSTCMEGJDMHTBS-VIFPVBQESA-N -1 3 292.266 3.283 20 5 CGBDHM CCCCC1(NCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001460914722 937552333 /nfs/dbraw/zinc/55/23/33/937552333.db2.gz ARRUZXRDIHRTEM-UHFFFAOYSA-N -1 3 264.325 3.113 20 5 CGBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2ccccc2F)c1 ZINC000088764459 345765358 /nfs/dbraw/zinc/76/53/58/345765358.db2.gz QYAKUZQHVKRIJO-UHFFFAOYSA-N -1 3 299.265 3.058 20 5 CGBDHM CC[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743238 347110323 /nfs/dbraw/zinc/11/03/23/347110323.db2.gz DPTLRPAWKJGEKZ-GWCFXTLKSA-N -1 3 292.335 3.056 20 5 CGBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC000596129425 347386099 /nfs/dbraw/zinc/38/60/99/347386099.db2.gz UNVLEQYRGULEKJ-UHFFFAOYSA-N -1 3 293.348 3.147 20 5 CGBDHM CC[C@H](C)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291734003 198074014 /nfs/dbraw/zinc/07/40/14/198074014.db2.gz INWQYUPDTAJGBZ-VIFPVBQESA-N -1 3 281.312 3.002 20 5 CGBDHM CC(C)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000129783258 371000912 /nfs/dbraw/zinc/00/09/12/371000912.db2.gz AFTYQNQDEMWJEJ-UHFFFAOYSA-N -1 3 281.703 3.164 20 5 CGBDHM O=[N+]([O-])c1cccc(NC([O-])=NOC2CCCC2)c1Cl ZINC000289820309 371831649 /nfs/dbraw/zinc/83/16/49/371831649.db2.gz WDYTXYCKPHCWDU-UHFFFAOYSA-N -1 3 299.714 3.244 20 5 CGBDHM O=C([N-]OC1CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289820309 371831658 /nfs/dbraw/zinc/83/16/58/371831658.db2.gz WDYTXYCKPHCWDU-UHFFFAOYSA-N -1 3 299.714 3.244 20 5 CGBDHM Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1[O-] ZINC000179806272 373919820 /nfs/dbraw/zinc/91/98/20/373919820.db2.gz ZNTOMMGRAICNHF-UHFFFAOYSA-N -1 3 296.666 3.108 20 5 CGBDHM CC(C)c1ocnc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000731981941 572443102 /nfs/dbraw/zinc/44/31/02/572443102.db2.gz JADMREVNRVTIMN-UHFFFAOYSA-N -1 3 293.254 3.098 20 5 CGBDHM O=c1[n-]ccc(N2CCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC001162707499 806650726 /nfs/dbraw/zinc/65/07/26/806650726.db2.gz YYGQDRRCKRLWQQ-UHFFFAOYSA-N -1 3 291.694 3.043 20 5 CGBDHM Cc1ccc(Nc2ncc(Cl)cc2[O-])c([N+](=O)[O-])c1 ZINC001214167863 815376088 /nfs/dbraw/zinc/37/60/88/815376088.db2.gz XGXXUTCLCYSWHT-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM Cn1nc(C(C)(C)C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814981 811598334 /nfs/dbraw/zinc/59/83/34/811598334.db2.gz RCYDFDHGDFHAES-UHFFFAOYSA-N -1 3 290.323 3.075 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2csc3nccnc23)c1 ZINC001199813980 811598381 /nfs/dbraw/zinc/59/83/81/811598381.db2.gz AVEDDIHLLRKOFC-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM CNc1ccnc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814410 811598541 /nfs/dbraw/zinc/59/85/41/811598541.db2.gz JGDDUUXCCCGMPP-UHFFFAOYSA-N -1 3 294.698 3.134 20 5 CGBDHM O=c1oc2ccccc2cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815260 811599920 /nfs/dbraw/zinc/59/99/20/811599920.db2.gz XZWIMRCVQJGWPL-UHFFFAOYSA-N -1 3 298.254 3.150 20 5 CGBDHM CC(C)Oc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199818558 811600810 /nfs/dbraw/zinc/60/08/10/811600810.db2.gz DMRZVDAJQXVCMY-UHFFFAOYSA-N -1 3 289.291 3.226 20 5 CGBDHM C[C@@H](O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828914 811600888 /nfs/dbraw/zinc/60/08/88/811600888.db2.gz YUFIJVLAMWYDIG-SECBINFHSA-N -1 3 274.276 3.097 20 5 CGBDHM COc1c(F)ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1F ZINC001201221974 811798649 /nfs/dbraw/zinc/79/86/49/811798649.db2.gz GQSWOFJQEAOHCU-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)cc1O ZINC001201221472 811799026 /nfs/dbraw/zinc/79/90/26/811799026.db2.gz CBSMYNCZOQSXCX-UHFFFAOYSA-N -1 3 274.276 3.366 20 5 CGBDHM Cc1cc(N)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229808 811801862 /nfs/dbraw/zinc/80/18/62/811801862.db2.gz TUMBQSDGVCWNOH-UHFFFAOYSA-N -1 3 277.255 3.074 20 5 CGBDHM Cc1noc([N-]c2c(F)ccc([N+](=O)[O-])c2F)c1C ZINC001215285768 815502706 /nfs/dbraw/zinc/50/27/06/815502706.db2.gz YNQDAGDQFGYZDS-UHFFFAOYSA-N -1 3 269.207 3.221 20 5 CGBDHM COc1ncc(Nc2cccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC001210139395 814308180 /nfs/dbraw/zinc/30/81/80/814308180.db2.gz QHYWSRLPTMCCDA-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM Cc1ccc([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cc1 ZINC001225665480 817132691 /nfs/dbraw/zinc/13/26/91/817132691.db2.gz AQCOUXWFSNBRKH-JTQLQIEISA-N -1 3 274.276 3.144 20 5 CGBDHM CCCC[C@@H](CCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666708 817133092 /nfs/dbraw/zinc/13/30/92/817133092.db2.gz LDLJJGKJTPBGFI-SNVBAGLBSA-N -1 3 268.313 3.433 20 5 CGBDHM CCC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)(C)C ZINC001227690741 817694774 /nfs/dbraw/zinc/69/47/74/817694774.db2.gz KLDILZCDUNZHLG-JTQLQIEISA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@@H]1CCC[C@@H](C)C1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692318 817695399 /nfs/dbraw/zinc/69/53/99/817695399.db2.gz WJXOCEPQULVZIW-RKDXNWHRSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@@H]1CC[C@H](C)[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692381 817695912 /nfs/dbraw/zinc/69/59/12/817695912.db2.gz YIMDTYNGPNFRQN-YWVKMMECSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccncc1 ZINC001227741032 817708830 /nfs/dbraw/zinc/70/88/30/817708830.db2.gz HBMVKZFWHAYRBL-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccncc1 ZINC001227741032 817708837 /nfs/dbraw/zinc/70/88/37/817708837.db2.gz HBMVKZFWHAYRBL-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)(C)C ZINC001228685347 817972496 /nfs/dbraw/zinc/97/24/96/817972496.db2.gz GFBRUIKNUQBVCX-SNVBAGLBSA-N -1 3 268.313 3.207 20 5 CGBDHM O=c1[n-]ccc(Nc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC001458289829 937457562 /nfs/dbraw/zinc/45/75/62/937457562.db2.gz LZBJGYOLHSBXEI-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM CN(CCC(C)(C)C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737763 347109459 /nfs/dbraw/zinc/10/94/59/347109459.db2.gz SWNDIONKKREIAC-UHFFFAOYSA-N -1 3 294.351 3.161 20 5 CGBDHM CC(C)c1csc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596292487 347412092 /nfs/dbraw/zinc/41/20/92/347412092.db2.gz JCSVMSZEVLDHPU-UHFFFAOYSA-N -1 3 297.361 3.427 20 5 CGBDHM Cc1cccc2c1CC[C@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596113161 347384525 /nfs/dbraw/zinc/38/45/25/347384525.db2.gz OLHXNMCFCNNQAE-GFCCVEGCSA-N -1 3 285.303 3.103 20 5 CGBDHM Cc1ccc2c(c1)[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596124533 347386112 /nfs/dbraw/zinc/38/61/12/347386112.db2.gz XROTVRLDCSLNJL-GFCCVEGCSA-N -1 3 285.303 3.103 20 5 CGBDHM CC1(C)[C@@H](c2ccccc2)[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599122986 347718803 /nfs/dbraw/zinc/71/88/03/347718803.db2.gz LVLPPHPXLRYHBN-JSGCOSHPSA-N -1 3 299.330 3.300 20 5 CGBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c([O-])c1 ZINC000044747825 369269161 /nfs/dbraw/zinc/26/91/61/369269161.db2.gz FRNUPSOCCWCMTK-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=C(Nc1cccc([O-])c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000155317511 371921608 /nfs/dbraw/zinc/92/16/08/371921608.db2.gz TYZJSKIRTSHVTO-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000255641357 377773514 /nfs/dbraw/zinc/77/35/14/377773514.db2.gz WUFPTOAKWXPGEV-CLFYSBASSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[O-] ZINC000180882237 392713756 /nfs/dbraw/zinc/71/37/56/392713756.db2.gz SCBJSSLJSRWUCD-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=c1[n-]c(-c2ccc(O)cn2)nc2cc3ccccc3cc21 ZINC000427460407 393456286 /nfs/dbraw/zinc/45/62/86/393456286.db2.gz SOSQMNQAZRGXDV-UHFFFAOYSA-N -1 3 289.294 3.256 20 5 CGBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549545514 289046168 /nfs/dbraw/zinc/04/61/68/289046168.db2.gz XPQJZUJATOWHGT-WPGHFRTFSA-N -1 3 290.363 3.311 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[N-]C(=O)CC(C)(C)C ZINC000842060687 620565019 /nfs/dbraw/zinc/56/50/19/620565019.db2.gz AQAKTMNBBDOOLP-LLVKDONJSA-N -1 3 294.351 3.448 20 5 CGBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cc2occc2[n-]1 ZINC000786030818 628909018 /nfs/dbraw/zinc/90/90/18/628909018.db2.gz DNVQAQPNJZUQQA-UHFFFAOYSA-N -1 3 286.243 3.026 20 5 CGBDHM O=[N+]([O-])c1ccc(-c2nc3c([n-]2)c(F)c(F)cc3F)o1 ZINC001250669165 805751691 /nfs/dbraw/zinc/75/16/91/805751691.db2.gz HLZWTQCZDRFRLX-UHFFFAOYSA-N -1 3 283.165 3.148 20 5 CGBDHM O=[N+]([O-])c1ccc(-c2nc3c([n-]2)c(F)cc(F)c3F)o1 ZINC001250669165 805751697 /nfs/dbraw/zinc/75/16/97/805751697.db2.gz HLZWTQCZDRFRLX-UHFFFAOYSA-N -1 3 283.165 3.148 20 5 CGBDHM Cc1cc(F)cc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC001251385985 805890382 /nfs/dbraw/zinc/89/03/82/805890382.db2.gz OHBXOHGZCIWIDG-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM Cc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001199814101 811599327 /nfs/dbraw/zinc/59/93/27/811599327.db2.gz FFRYBHXFTODSNW-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3c(c2)CCCC3)c1 ZINC001199818521 811600671 /nfs/dbraw/zinc/60/06/71/811600671.db2.gz CCCHBDAVQKZBAF-UHFFFAOYSA-N -1 3 285.303 3.318 20 5 CGBDHM COc1cc(Cl)nc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199818545 811601380 /nfs/dbraw/zinc/60/13/80/811601380.db2.gz DBHWJEXQBSEAPW-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM Cc1nc2c(cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC001201221343 811799188 /nfs/dbraw/zinc/79/91/88/811799188.db2.gz AHCACFHUZDPSHE-UHFFFAOYSA-N -1 3 285.259 3.494 20 5 CGBDHM Cc1cc(F)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1O ZINC001201221978 811799604 /nfs/dbraw/zinc/79/96/04/811799604.db2.gz GYSLTOHZCQJXET-UHFFFAOYSA-N -1 3 278.239 3.197 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(c2)[C@@H](O)CC3)c1 ZINC001201231466 811800435 /nfs/dbraw/zinc/80/04/35/811800435.db2.gz JDYXVTWATVSMRR-HNNXBMFYSA-N -1 3 286.287 3.024 20 5 CGBDHM O=c1ccc2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2[nH]1 ZINC001201231404 811801094 /nfs/dbraw/zinc/80/10/94/811801094.db2.gz GUAMSRKJNBVGKB-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM C=CC(=O)Nc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201232635 811802474 /nfs/dbraw/zinc/80/24/74/811802474.db2.gz SUXKVDIFUIACLD-UHFFFAOYSA-N -1 3 299.286 3.169 20 5 CGBDHM Cc1ccc2c(c1)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])CC2 ZINC001225661169 817131466 /nfs/dbraw/zinc/13/14/66/817131466.db2.gz LMCRQQRUZAPQMG-CYBMUJFWSA-N -1 3 286.287 3.070 20 5 CGBDHM O=[N+]([O-])c1cccc([O-])c1O[C@@H]1CCCc2cccnc21 ZINC001226336986 817330885 /nfs/dbraw/zinc/33/08/85/817330885.db2.gz UOKKPZAOMHPNHU-CYBMUJFWSA-N -1 3 286.287 3.152 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H](C)c3ccccn3)nc2cc1[N+](=O)[O-] ZINC001228672798 817968573 /nfs/dbraw/zinc/96/85/73/817968573.db2.gz BBDFUIZADPGKOZ-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM O=c1[n-]ccc(N2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC001307000654 932906892 /nfs/dbraw/zinc/90/68/92/932906892.db2.gz ILYRCMJWYNGAKJ-UHFFFAOYSA-N -1 3 291.694 3.043 20 5 CGBDHM CCc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001472641614 937779338 /nfs/dbraw/zinc/77/93/38/937779338.db2.gz XXJIVGZDGCPSSI-UHFFFAOYSA-N -1 3 259.265 3.001 20 5 CGBDHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596085448 347381914 /nfs/dbraw/zinc/38/19/14/347381914.db2.gz GASHCRXDRXMPBY-LBPRGKRZSA-N -1 3 285.303 3.103 20 5 CGBDHM CC(C)c1scnc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000288932854 197195167 /nfs/dbraw/zinc/19/51/67/197195167.db2.gz UEOJEIUZAXEXPC-UHFFFAOYSA-N -1 3 297.361 3.489 20 5 CGBDHM CC(C)(C)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000020449019 171207672 /nfs/dbraw/zinc/20/76/72/171207672.db2.gz JFRKVAZHGHJBCI-UHFFFAOYSA-N -1 3 295.320 3.194 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000752878709 626441293 /nfs/dbraw/zinc/44/12/93/626441293.db2.gz DGHMQDURCIEBBW-HYXAFXHYSA-N -1 3 291.694 3.223 20 5 CGBDHM Cc1ncc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)s1 ZINC000800149078 636939643 /nfs/dbraw/zinc/93/96/43/636939643.db2.gz GWMCMEONGXPKRC-UHFFFAOYSA-N -1 3 295.295 3.060 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C(F)(F)F)n2)c1 ZINC001199802782 811598288 /nfs/dbraw/zinc/59/82/88/811598288.db2.gz YJGXULJVQLOKDV-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM CC(C)(C)c1nccc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199828859 811600583 /nfs/dbraw/zinc/60/05/83/811600583.db2.gz WHPACSLTDUQVPB-UHFFFAOYSA-N -1 3 288.307 3.132 20 5 CGBDHM Nc1cc(F)c(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223194 811798758 /nfs/dbraw/zinc/79/87/58/811798758.db2.gz WUJJWEQHELVFGM-UHFFFAOYSA-N -1 3 297.673 3.419 20 5 CGBDHM CC(=O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223220 811799076 /nfs/dbraw/zinc/79/90/76/811799076.db2.gz YBISNLPRPQBZLD-UHFFFAOYSA-N -1 3 272.260 3.247 20 5 CGBDHM Cc1c(C)n(-c2cc([O-])cc([N+](=O)[O-])c2)c2c1cccc2N ZINC001201229211 811800114 /nfs/dbraw/zinc/80/01/14/811800114.db2.gz HQUOEQAHEVCRMN-UHFFFAOYSA-N -1 3 297.314 3.443 20 5 CGBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nsc2ncccc12 ZINC001210952461 814689754 /nfs/dbraw/zinc/68/97/54/814689754.db2.gz JCJCCAJNJYYRIU-UHFFFAOYSA-N -1 3 290.279 3.482 20 5 CGBDHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cccc([N+](=O)[O-])c1 ZINC001225340355 817017720 /nfs/dbraw/zinc/01/77/20/817017720.db2.gz JZDYRIFPEFIZBO-JTQLQIEISA-N -1 3 299.282 3.310 20 5 CGBDHM C[C@@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)[C@@H]1C ZINC001227689629 817694259 /nfs/dbraw/zinc/69/42/59/817694259.db2.gz AYYQUAZLRZFLMY-FXPVBKGRSA-N -1 3 290.323 3.070 20 5 CGBDHM Cc1cccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)c1 ZINC001227692480 817696486 /nfs/dbraw/zinc/69/64/86/817696486.db2.gz YWJKGBCAYCXRNP-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCC1 ZINC001227746525 817710767 /nfs/dbraw/zinc/71/07/67/817710767.db2.gz SVWUDXBEWWUPDB-MRVPVSSYSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCC1 ZINC001227746525 817710772 /nfs/dbraw/zinc/71/07/72/817710772.db2.gz SVWUDXBEWWUPDB-MRVPVSSYSA-N -1 3 261.281 3.039 20 5 CGBDHM CCC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674073 817968500 /nfs/dbraw/zinc/96/85/00/817968500.db2.gz ICBLCTDLRIKVKW-SECBINFHSA-N -1 3 263.297 3.347 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3C=CCCC3)nc2cc1[N+](=O)[O-] ZINC001228675649 817969745 /nfs/dbraw/zinc/96/97/45/817969745.db2.gz RZGQJWGEDATIGO-JTQLQIEISA-N -1 3 273.292 3.267 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3C[C@@H]4CC[C@H]3C4)nc2cc1[N+](=O)[O-] ZINC001228676505 817969824 /nfs/dbraw/zinc/96/98/24/817969824.db2.gz IGPYRJUDZZDWNV-ISTVAULSSA-N -1 3 287.319 3.347 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC001228687395 817973591 /nfs/dbraw/zinc/97/35/91/817973591.db2.gz WOEISDOTQRBQPU-SECBINFHSA-N -1 3 268.313 3.207 20 5 CGBDHM CC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498591 818628133 /nfs/dbraw/zinc/62/81/33/818628133.db2.gz MILYANISIQXEBA-ZCFIWIBFSA-N -1 3 269.688 3.302 20 5 CGBDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc([N+](=O)[O-])c2)n1 ZINC000337912906 214310832 /nfs/dbraw/zinc/31/08/32/214310832.db2.gz LCOGOSZEGXDBTD-SECBINFHSA-N -1 3 291.332 3.252 20 5 CGBDHM O=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(F)cc12 ZINC000053856180 345125527 /nfs/dbraw/zinc/12/55/27/345125527.db2.gz UDRYZTGWQJUHRX-UHFFFAOYSA-N -1 3 285.234 3.050 20 5 CGBDHM O=[N+]([O-])c1ccc2ncnc(Sc3cccc([O-])c3)c2c1 ZINC000130426095 346057824 /nfs/dbraw/zinc/05/78/24/346057824.db2.gz ICOBEGZZELKVIU-UHFFFAOYSA-N -1 3 299.311 3.395 20 5 CGBDHM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC000174977938 346246530 /nfs/dbraw/zinc/24/65/30/346246530.db2.gz ROXVXZMXOKDEGI-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CCCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593735327 347109025 /nfs/dbraw/zinc/10/90/25/347109025.db2.gz VCLUWWWPYHDKDC-UHFFFAOYSA-N -1 3 292.335 3.058 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596060866 347378342 /nfs/dbraw/zinc/37/83/42/347378342.db2.gz KYLSGCYUKYSOSF-QJPTWQEYSA-N -1 3 291.351 3.466 20 5 CGBDHM C[C@H]1[C@H](c2ccccc2)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155979 347390972 /nfs/dbraw/zinc/39/09/72/347390972.db2.gz XPKCANUZBCHBFP-WCQYABFASA-N -1 3 299.330 3.078 20 5 CGBDHM C[C@H](CC1CCCCC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596213802 347398983 /nfs/dbraw/zinc/39/89/83/347398983.db2.gz GYAIUSSATXYZLH-SNVBAGLBSA-N -1 3 279.340 3.466 20 5 CGBDHM Cc1cc(OCc2ccccc2[N+](=O)[O-])cc2occ([O-])c21 ZINC000603677754 348092909 /nfs/dbraw/zinc/09/29/09/348092909.db2.gz IGINDSBCQPBFFZ-UHFFFAOYSA-N -1 3 299.282 3.057 20 5 CGBDHM CC(C)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000172675891 373009402 /nfs/dbraw/zinc/00/94/02/373009402.db2.gz ZQOZSIIVSRIHHK-UHFFFAOYSA-N -1 3 297.361 3.489 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCCCC1 ZINC000338930459 376580217 /nfs/dbraw/zinc/58/02/17/376580217.db2.gz YYHKLMLTJZAKIL-UHFFFAOYSA-N -1 3 278.352 3.313 20 5 CGBDHM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000339088105 376672020 /nfs/dbraw/zinc/67/20/20/376672020.db2.gz NMIGTBSUKDKATD-NSHDSACASA-N -1 3 278.352 3.168 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255359472 377754097 /nfs/dbraw/zinc/75/40/97/377754097.db2.gz XNFXXRGZLWFHHJ-HJWRWDBZSA-N -1 3 298.298 3.261 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000408072031 379991673 /nfs/dbraw/zinc/99/16/73/379991673.db2.gz QHAOBGYNYOFAKL-SMDDNHRTSA-N -1 3 276.336 3.065 20 5 CGBDHM Cc1c([N-]C(=O)c2cc(C3CC3)no2)cccc1[N+](=O)[O-] ZINC000281368158 195213609 /nfs/dbraw/zinc/21/36/09/195213609.db2.gz APHGMRJZDQCMOW-UHFFFAOYSA-N -1 3 287.275 3.021 20 5 CGBDHM Cc1cc(NCc2ccc([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000078020080 165124844 /nfs/dbraw/zinc/12/48/44/165124844.db2.gz WLWOOVAJPWHOSU-UHFFFAOYSA-N -1 3 276.267 3.360 20 5 CGBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1c(F)cc(F)cc1F ZINC000131094784 287370571 /nfs/dbraw/zinc/37/05/71/287370571.db2.gz PWHCTSJWQIMLEJ-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM CC[C@@H](C)n1nc([N-]c2c(F)cccc2[N+](=O)[O-])cc1C ZINC000553519438 289228367 /nfs/dbraw/zinc/22/83/67/289228367.db2.gz FNOKQMAMJINDOS-SECBINFHSA-N -1 3 292.314 3.375 20 5 CGBDHM C[C@H](C(=O)Nc1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000564276964 322024933 /nfs/dbraw/zinc/02/49/33/322024933.db2.gz UEKHISSMNUWDDT-JTQLQIEISA-N -1 3 286.287 3.043 20 5 CGBDHM Cc1c2[nH]c(-c3cc([O-])ccc3[N+](=O)[O-])nc2ccc1F ZINC001250854779 805787775 /nfs/dbraw/zinc/78/77/75/805787775.db2.gz YFCJMRLRACNYDH-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM Cc1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001161979716 806496134 /nfs/dbraw/zinc/49/61/34/806496134.db2.gz BKPXGXJHJXFPKC-UHFFFAOYSA-N -1 3 260.249 3.105 20 5 CGBDHM Cc1ccc([N-]C(=O)c2ocnc2C(F)F)cc1[N+](=O)[O-] ZINC001124341052 803015317 /nfs/dbraw/zinc/01/53/17/803015317.db2.gz ZEMLQPJPIOEVKS-UHFFFAOYSA-N -1 3 297.217 3.081 20 5 CGBDHM Cc1cccc2cc(Oc3cc[n-]c(=O)c3[N+](=O)[O-])cnc12 ZINC001186740245 810359338 /nfs/dbraw/zinc/35/93/38/810359338.db2.gz URPXNOYCWRKHBN-UHFFFAOYSA-N -1 3 297.270 3.344 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(Cl)c2)c1 ZINC001199814572 811598932 /nfs/dbraw/zinc/59/89/32/811598932.db2.gz LDFDDWDAVJESHP-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cn(CC3CCC3)cn2)c1 ZINC001199828254 811600098 /nfs/dbraw/zinc/60/00/98/811600098.db2.gz DXSGOEZZNJXWFG-UHFFFAOYSA-N -1 3 288.307 3.041 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C(F)F)cn2)c1 ZINC001199828829 811600738 /nfs/dbraw/zinc/60/07/38/811600738.db2.gz UXXPNWIOSAFMJM-UHFFFAOYSA-N -1 3 281.218 3.377 20 5 CGBDHM Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001201221728 811798747 /nfs/dbraw/zinc/79/87/47/811798747.db2.gz DNBAWURLJBWWJQ-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM Cc1ccc([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c(C)c1 ZINC001225666146 817132675 /nfs/dbraw/zinc/13/26/75/817132675.db2.gz GSNBQDFXCHGBOB-LLVKDONJSA-N -1 3 288.303 3.452 20 5 CGBDHM CC(C)C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225666479 817132868 /nfs/dbraw/zinc/13/28/68/817132868.db2.gz JJGJEFQLPNFFPW-NSHDSACASA-N -1 3 268.313 3.145 20 5 CGBDHM CCC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC001225666794 817133061 /nfs/dbraw/zinc/13/30/61/817133061.db2.gz MMSFOWPQVNYIGW-JTQLQIEISA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@@H]1CCCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667440 817134012 /nfs/dbraw/zinc/13/40/12/817134012.db2.gz STEZYGHUUIRUIG-MWLCHTKSSA-N -1 3 266.297 3.043 20 5 CGBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCC1 ZINC001227746530 817710782 /nfs/dbraw/zinc/71/07/82/817710782.db2.gz SVWUDXBEWWUPDB-QMMMGPOBSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCC1 ZINC001227746530 817710786 /nfs/dbraw/zinc/71/07/86/817710786.db2.gz SVWUDXBEWWUPDB-QMMMGPOBSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747167 817711736 /nfs/dbraw/zinc/71/17/36/817711736.db2.gz XXBDVYXIOQEUGO-GXSJLCMTSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747167 817711737 /nfs/dbraw/zinc/71/17/37/817711737.db2.gz XXBDVYXIOQEUGO-GXSJLCMTSA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1c([N-]C(=O)c2cc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000072647056 345414933 /nfs/dbraw/zinc/41/49/33/345414933.db2.gz HTWJJGJHVYXWAH-UHFFFAOYSA-N -1 3 289.291 3.267 20 5 CGBDHM C[C@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731594 347109591 /nfs/dbraw/zinc/10/95/91/347109591.db2.gz DUAAXFTXDLPYTC-QWRGUYRKSA-N -1 3 292.335 3.056 20 5 CGBDHM CC[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743239 347110130 /nfs/dbraw/zinc/11/01/30/347110130.db2.gz DPTLRPAWKJGEKZ-GXFFZTMASA-N -1 3 292.335 3.056 20 5 CGBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCC1 ZINC000596266755 347407728 /nfs/dbraw/zinc/40/77/28/347407728.db2.gz VJJZYOGGKGOTSF-UHFFFAOYSA-N -1 3 277.324 3.244 20 5 CGBDHM CC[C@H](C)CO[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000292141616 198179033 /nfs/dbraw/zinc/17/90/33/198179033.db2.gz RALBZUQDOGQWDP-VIFPVBQESA-N -1 3 298.364 3.024 20 5 CGBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000012021726 368602645 /nfs/dbraw/zinc/60/26/45/368602645.db2.gz ICXFPIPPDBICRP-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC([O-])=NOC1CCCC1 ZINC000276445387 193333656 /nfs/dbraw/zinc/33/36/56/193333656.db2.gz SJONOCGVZWDCAS-UHFFFAOYSA-N -1 3 293.323 3.207 20 5 CGBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OC1CCCC1 ZINC000276445387 193333658 /nfs/dbraw/zinc/33/36/58/193333658.db2.gz SJONOCGVZWDCAS-UHFFFAOYSA-N -1 3 293.323 3.207 20 5 CGBDHM CC(C)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000172677179 373010641 /nfs/dbraw/zinc/01/06/41/373010641.db2.gz QBZJNBMFWBODBQ-UHFFFAOYSA-N -1 3 281.293 3.020 20 5 CGBDHM CC[C@@H]1CC[C@@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456524 287101781 /nfs/dbraw/zinc/10/17/81/287101781.db2.gz PNDLXFJCFGISTR-ZYHUDNBSSA-N -1 3 264.325 3.063 20 5 CGBDHM Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000255036833 287855212 /nfs/dbraw/zinc/85/52/12/287855212.db2.gz VALAFMKRZBZPKE-UITAMQMPSA-N -1 3 298.298 3.261 20 5 CGBDHM CC[C@@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000559155950 289537917 /nfs/dbraw/zinc/53/79/17/289537917.db2.gz TUNDNUJRMODZGE-BXUZGUMPSA-N -1 3 278.352 3.359 20 5 CGBDHM CSc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC000112230191 638051657 /nfs/dbraw/zinc/05/16/57/638051657.db2.gz OPTPVNMISCWCQF-UHFFFAOYSA-N -1 3 296.279 3.301 20 5 CGBDHM O=c1[n-]ccc(NCCc2cc3ccccc3o2)c1[N+](=O)[O-] ZINC001162568932 806620911 /nfs/dbraw/zinc/62/09/11/806620911.db2.gz XGQMCEQBCJLKHH-UHFFFAOYSA-N -1 3 299.286 3.096 20 5 CGBDHM CC(C)(F)c1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)no1 ZINC001135368254 803590762 /nfs/dbraw/zinc/59/07/62/803590762.db2.gz ALEPRMKJDDELFN-UHFFFAOYSA-N -1 3 299.283 3.101 20 5 CGBDHM O=[N+]([O-])c1cccnc1[N-][C@H](c1ccccn1)C(F)(F)F ZINC001168477505 807430001 /nfs/dbraw/zinc/43/00/01/807430001.db2.gz CUTBJXCYUSVUBY-SNVBAGLBSA-N -1 3 298.224 3.100 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c([N-]c2noc3cccnc32)c1 ZINC001175733966 809521345 /nfs/dbraw/zinc/52/13/45/809521345.db2.gz BXDBCNWDVIUVEF-UHFFFAOYSA-N -1 3 274.211 3.014 20 5 CGBDHM Cc1cc(C)nc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199801412 811599033 /nfs/dbraw/zinc/59/90/33/811599033.db2.gz RSBQXCAYTXDEJJ-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(C(F)(F)F)no2)c1 ZINC001199802745 811599047 /nfs/dbraw/zinc/59/90/47/811599047.db2.gz XIPCWHWTWTVUMB-UHFFFAOYSA-N -1 3 289.169 3.051 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3ccc(O)cc3c2)c1 ZINC001199819250 811601068 /nfs/dbraw/zinc/60/10/68/811601068.db2.gz MMUFPCWDQFPMPW-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM Cc1cc(F)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222472 811798567 /nfs/dbraw/zinc/79/85/67/811798567.db2.gz MPCPKRSICUXCBP-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC001201221751 811799168 /nfs/dbraw/zinc/79/91/68/811799168.db2.gz DWCVRFVGOWPXER-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM O=C1CCc2c1cccc2Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221997 811799195 /nfs/dbraw/zinc/79/91/95/811799195.db2.gz HSZQYLRZTZZJCL-UHFFFAOYSA-N -1 3 284.271 3.173 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(CO)ccc2Cl)c1 ZINC001201223636 811801480 /nfs/dbraw/zinc/80/14/80/811801480.db2.gz DFTNDAVCEVAPHA-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM CCCC[C@H](CCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666706 817132517 /nfs/dbraw/zinc/13/25/17/817132517.db2.gz LDLJJGKJTPBGFI-JTQLQIEISA-N -1 3 268.313 3.433 20 5 CGBDHM CC[C@H](C)CC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666392 817132899 /nfs/dbraw/zinc/13/28/99/817132899.db2.gz HXKHQYNHURDTLC-UWVGGRQHSA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@H](C)CC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689703 817694589 /nfs/dbraw/zinc/69/45/89/817694589.db2.gz BZMPUIXCACFJCW-UWVGGRQHSA-N -1 3 292.339 3.460 20 5 CGBDHM Cc1ccc([C@H](C)Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)cn1 ZINC001227744847 817710909 /nfs/dbraw/zinc/71/09/09/817710909.db2.gz JWZXHFDFDWOEEI-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM Cc1ccc([C@H](C)Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)cn1 ZINC001227744847 817710914 /nfs/dbraw/zinc/71/09/14/817710914.db2.gz JWZXHFDFDWOEEI-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001228688062 817973613 /nfs/dbraw/zinc/97/36/13/817973613.db2.gz DAKBDAGWXYFQDP-IQJOONFLSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000039601705 344960692 /nfs/dbraw/zinc/96/06/92/344960692.db2.gz PEUWKIZVHYVDRK-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CC1(C)CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596262075 347407013 /nfs/dbraw/zinc/40/70/13/347407013.db2.gz LTQUNVMGORLDQB-SNVBAGLBSA-N -1 3 279.340 3.324 20 5 CGBDHM CCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596162477 347392605 /nfs/dbraw/zinc/39/26/05/347392605.db2.gz KTHBGAIYPOKGFC-UHFFFAOYSA-N -1 3 265.313 3.078 20 5 CGBDHM Cc1cccc2c1CCC[C@@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596544362 347477656 /nfs/dbraw/zinc/47/76/56/347477656.db2.gz PKAGAZZJNHIXPT-ZDUSSCGKSA-N -1 3 299.330 3.493 20 5 CGBDHM CC(C)Cn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000153858629 371793794 /nfs/dbraw/zinc/79/37/94/371793794.db2.gz NRPBMHKTWFJJTB-UHFFFAOYSA-N -1 3 295.730 3.239 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000179560823 373887990 /nfs/dbraw/zinc/88/79/90/373887990.db2.gz SFFRPGONYTXHGY-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000225259199 376298838 /nfs/dbraw/zinc/29/88/38/376298838.db2.gz HDMAEISTSPLPAI-UHFFFAOYSA-N -1 3 289.272 3.079 20 5 CGBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339051067 376647895 /nfs/dbraw/zinc/64/78/95/376647895.db2.gz SVBQCWPWWKWKMU-NEPJUHHUSA-N -1 3 278.352 3.168 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)cc(F)c2)c1 ZINC001199828890 811600359 /nfs/dbraw/zinc/60/03/59/811600359.db2.gz XPZQEIVWNWIGRI-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM COc1cc(Cl)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819126 811600396 /nfs/dbraw/zinc/60/03/96/811600396.db2.gz LANNORRSTXBLTC-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2OC(F)F)c1 ZINC001199819515 811600557 /nfs/dbraw/zinc/60/05/57/811600557.db2.gz VZDDBALPIKPXRC-UHFFFAOYSA-N -1 3 297.217 3.040 20 5 CGBDHM CCn1cc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2n1 ZINC001201222515 811798808 /nfs/dbraw/zinc/79/88/08/811798808.db2.gz NTOWQTUYLIJFSW-UHFFFAOYSA-N -1 3 298.302 3.414 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2-n2ccnc2)c1 ZINC001201222285 811799424 /nfs/dbraw/zinc/79/94/24/811799424.db2.gz LCEDPUYCAAMNHW-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM Cc1nc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2o1 ZINC001201222369 811799501 /nfs/dbraw/zinc/79/95/01/811799501.db2.gz LTWSASDAGZUVHZ-UHFFFAOYSA-N -1 3 285.259 3.494 20 5 CGBDHM CN1CCc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201231904 811800514 /nfs/dbraw/zinc/80/05/14/811800514.db2.gz MRZPSOMMYWWRCX-UHFFFAOYSA-N -1 3 285.303 3.036 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3snnc32)c1 ZINC001201229790 811800567 /nfs/dbraw/zinc/80/05/67/811800567.db2.gz SNLZLEMEVMZSFX-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM CCC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])[C@@H](C)CC ZINC001225667068 817134422 /nfs/dbraw/zinc/13/44/22/817134422.db2.gz OUKKAPWFUCEZLR-ONGXEEELSA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)(C)C ZINC001227691540 817695730 /nfs/dbraw/zinc/69/57/30/817695730.db2.gz PETLIYDUHQWJDC-VIFPVBQESA-N -1 3 278.312 3.070 20 5 CGBDHM CC[C@@H]1CCCC[C@@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687213 817973079 /nfs/dbraw/zinc/97/30/79/817973079.db2.gz URVWAIQOUOFQNJ-MNOVXSKESA-N -1 3 280.324 3.351 20 5 CGBDHM Cc1ccc(C)c(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001306914200 932764355 /nfs/dbraw/zinc/76/43/55/932764355.db2.gz DVVYOTHQIKMSOZ-UHFFFAOYSA-N -1 3 260.249 3.105 20 5 CGBDHM CC[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743241 347110000 /nfs/dbraw/zinc/11/00/00/347110000.db2.gz DPTLRPAWKJGEKZ-ZWNOBZJWSA-N -1 3 292.335 3.056 20 5 CGBDHM O=c1[n-]ccc(SCC2CCCCC2)c1[N+](=O)[O-] ZINC000596118244 347385559 /nfs/dbraw/zinc/38/55/59/347385559.db2.gz UIDSQFZMTWWQAV-UHFFFAOYSA-N -1 3 268.338 3.368 20 5 CGBDHM Cc1ccc(C[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596135123 347387468 /nfs/dbraw/zinc/38/74/68/347387468.db2.gz RWOCNBJHCUBACC-MRVPVSSYSA-N -1 3 293.348 3.108 20 5 CGBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000596160191 347391810 /nfs/dbraw/zinc/39/18/10/347391810.db2.gz ALECEJUZKBMNDL-UHFFFAOYSA-N -1 3 285.303 3.125 20 5 CGBDHM O=[N+]([O-])c1ccc(/C=C\c2c(F)ccc([O-])c2F)nc1 ZINC000359525951 233329417 /nfs/dbraw/zinc/32/94/17/233329417.db2.gz NUJLWFOISDVELS-RQOWECAXSA-N -1 3 278.214 3.144 20 5 CGBDHM CCc1c([N-]c2ncccc2[N+](=O)[O-])cnn1CC(C)C ZINC000301810106 201209637 /nfs/dbraw/zinc/20/96/37/201209637.db2.gz DGTGDGOEAWXVBA-UHFFFAOYSA-N -1 3 289.339 3.148 20 5 CGBDHM CC1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000353651124 220224264 /nfs/dbraw/zinc/22/42/64/220224264.db2.gz YYSWYKQQYRIWGS-UHFFFAOYSA-N -1 3 278.352 3.313 20 5 CGBDHM CC(C)CN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000338907232 376567068 /nfs/dbraw/zinc/56/70/68/376567068.db2.gz IHPLMBNKTFUELO-UHFFFAOYSA-N -1 3 266.341 3.167 20 5 CGBDHM C[C@@H]1CCC[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339005116 376624433 /nfs/dbraw/zinc/62/44/33/376624433.db2.gz KLLHMYTTYSSSCN-VXGBXAGGSA-N -1 3 278.352 3.311 20 5 CGBDHM O=[N+]([O-])c1ccc(/C=C\c2cc([O-])cc(F)c2)nc1 ZINC000349049016 379146092 /nfs/dbraw/zinc/14/60/92/379146092.db2.gz FFCZNPQOTICWKB-UPHRSURJSA-N -1 3 260.224 3.005 20 5 CGBDHM C[C@@H]1CCCC[C@@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000438990316 287287805 /nfs/dbraw/zinc/28/78/05/287287805.db2.gz IKVHTBJOSUYCHB-RISCZKNCSA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1Oc1nc2ccccc2c(=O)[n-]1 ZINC000750531334 573145645 /nfs/dbraw/zinc/14/56/45/573145645.db2.gz KIZHKMKBUPUPQF-UHFFFAOYSA-N -1 3 297.270 3.344 20 5 CGBDHM Cc1ccc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000695455704 799829458 /nfs/dbraw/zinc/82/94/58/799829458.db2.gz PQIAVRBIABEKGN-QMMMGPOBSA-N -1 3 279.321 3.238 20 5 CGBDHM O=c1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)c[nH]c-2c1 ZINC001199818946 811600317 /nfs/dbraw/zinc/60/03/17/811600317.db2.gz IEJCVRZMOCMEHM-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)ccc(F)c2F)c1 ZINC001201221936 811798920 /nfs/dbraw/zinc/79/89/20/811798920.db2.gz KBZDILQQZCVGPP-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM Nc1ccc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221953 811798968 /nfs/dbraw/zinc/79/89/68/811798968.db2.gz GFBOTJWQEULULC-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3cnoc3c2)c1 ZINC001201223574 811801429 /nfs/dbraw/zinc/80/14/29/811801429.db2.gz BEAQAXNPXYYRCD-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM CC(=O)c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1[O-] ZINC001210953989 814691082 /nfs/dbraw/zinc/69/10/82/814691082.db2.gz QHDGJDUOSDCPPK-UHFFFAOYSA-N -1 3 290.250 3.386 20 5 CGBDHM C[C@@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)[C@H]1C ZINC001227689634 817694144 /nfs/dbraw/zinc/69/41/44/817694144.db2.gz AYYQUAZLRZFLMY-WCABBAIRSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@@H]1CC[C@H](C)[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692380 817695884 /nfs/dbraw/zinc/69/58/84/817695884.db2.gz YIMDTYNGPNFRQN-WCABBAIRSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@H]1CCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227741305 817708787 /nfs/dbraw/zinc/70/87/87/817708787.db2.gz LLWJEZBPPCGVFE-UFBFGSQYSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227741305 817708792 /nfs/dbraw/zinc/70/87/92/817708792.db2.gz LLWJEZBPPCGVFE-UFBFGSQYSA-N -1 3 261.281 3.039 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2CCCCCC2)c1[N+](=O)[O-] ZINC001228687026 817973105 /nfs/dbraw/zinc/97/31/05/817973105.db2.gz TXFFRAZIRKAGRI-UHFFFAOYSA-N -1 3 266.297 3.105 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001228688063 817973457 /nfs/dbraw/zinc/97/34/57/817973457.db2.gz DAKBDAGWXYFQDP-WCABBAIRSA-N -1 3 280.324 3.207 20 5 CGBDHM CCCC[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687196 817973520 /nfs/dbraw/zinc/97/35/20/817973520.db2.gz UMMWYTSKIIZXIT-SNVBAGLBSA-N -1 3 268.313 3.351 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2CCCCCCC2)c1[N+](=O)[O-] ZINC001228688328 817973778 /nfs/dbraw/zinc/97/37/78/817973778.db2.gz HYPFOYFGXMBQQA-UHFFFAOYSA-N -1 3 280.324 3.496 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596239309 347403020 /nfs/dbraw/zinc/40/30/20/347403020.db2.gz AVLYGNNCQNOKBG-CYBMUJFWSA-N -1 3 299.330 3.079 20 5 CGBDHM Cc1ccccc1C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596105194 347384007 /nfs/dbraw/zinc/38/40/07/347384007.db2.gz SERZLVSQMLQHPS-UHFFFAOYSA-N -1 3 299.330 3.148 20 5 CGBDHM O=c1[n-]ccc(N2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596103280 347384013 /nfs/dbraw/zinc/38/40/13/347384013.db2.gz CMUCOMSIFYJCJE-UHFFFAOYSA-N -1 3 291.351 3.246 20 5 CGBDHM O=c1[n-]ccc(NC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596109510 347384503 /nfs/dbraw/zinc/38/45/03/347384503.db2.gz BQZHZFAOVICOHK-UHFFFAOYSA-N -1 3 285.303 3.054 20 5 CGBDHM Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000015922957 368705257 /nfs/dbraw/zinc/70/52/57/368705257.db2.gz VALAFMKRZBZPKE-WEVVVXLNSA-N -1 3 298.298 3.261 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340101606 376916197 /nfs/dbraw/zinc/91/61/97/376916197.db2.gz VHXDBQDPLNEATK-UHFFFAOYSA-N -1 3 298.254 3.299 20 5 CGBDHM Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1[O-] ZINC000387485572 379876148 /nfs/dbraw/zinc/87/61/48/379876148.db2.gz WBEYYWRUPFYYPB-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM Cc1ccc([O-])c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000470697342 393252163 /nfs/dbraw/zinc/25/21/63/393252163.db2.gz PIQYHPRVZCFSDA-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=[N+]([O-])c1cccc(F)c1NCc1ccc([O-])c(F)c1 ZINC000232423108 397668273 /nfs/dbraw/zinc/66/82/73/397668273.db2.gz LRFXZJMBCPDYEV-UHFFFAOYSA-N -1 3 280.230 3.191 20 5 CGBDHM O=[N+]([O-])c1ccccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000020432775 262249596 /nfs/dbraw/zinc/24/95/96/262249596.db2.gz NBESQOKXEBNORI-UHFFFAOYSA-N -1 3 283.243 3.017 20 5 CGBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549545515 289046210 /nfs/dbraw/zinc/04/62/10/289046210.db2.gz XPQJZUJATOWHGT-XFJVYGCCSA-N -1 3 290.363 3.311 20 5 CGBDHM CC(C)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549996441 289063665 /nfs/dbraw/zinc/06/36/65/289063665.db2.gz CHPBJAZUMKNCGS-GFCCVEGCSA-N -1 3 278.352 3.168 20 5 CGBDHM CC(C)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549996442 289063737 /nfs/dbraw/zinc/06/37/37/289063737.db2.gz CHPBJAZUMKNCGS-LBPRGKRZSA-N -1 3 278.352 3.168 20 5 CGBDHM CC(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000742220231 572558966 /nfs/dbraw/zinc/55/89/66/572558966.db2.gz MBFQVCXKGGOYLQ-XQRVVYSFSA-N -1 3 285.303 3.384 20 5 CGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccoc1Cl ZINC000192393356 640367573 /nfs/dbraw/zinc/36/75/73/640367573.db2.gz XHGHZRTWQNSWOB-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccccc1[O-] ZINC001142016466 804687569 /nfs/dbraw/zinc/68/75/69/804687569.db2.gz JLXABXNHURCASX-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174477349 809032719 /nfs/dbraw/zinc/03/27/19/809032719.db2.gz OBAWATNNDJUHED-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM O=c1[n-]ccc(NCc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001185564718 810275217 /nfs/dbraw/zinc/27/52/17/810275217.db2.gz AMGOUVNPFDUGKH-UHFFFAOYSA-N -1 3 295.298 3.461 20 5 CGBDHM CC(C)(C)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199802266 811599290 /nfs/dbraw/zinc/59/92/90/811599290.db2.gz NIKXZUCRWTYRKF-UHFFFAOYSA-N -1 3 277.280 3.330 20 5 CGBDHM O=c1[nH]cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2ccccc12 ZINC001199815282 811601312 /nfs/dbraw/zinc/60/13/12/811601312.db2.gz YITZICZISXZNOC-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ocnc3c2)c1 ZINC001201221800 811798836 /nfs/dbraw/zinc/79/88/36/811798836.db2.gz ICRXPDPWIDQLSO-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM COc1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201221941 811798930 /nfs/dbraw/zinc/79/89/30/811798930.db2.gz GCGNFDQQOVMQLO-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(O)ccc2Cl)c1 ZINC001201224757 811800139 /nfs/dbraw/zinc/80/01/39/811800139.db2.gz UCVHBTGMVJJYJE-UHFFFAOYSA-N -1 3 280.667 3.403 20 5 CGBDHM O=c1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC001201231038 811800963 /nfs/dbraw/zinc/80/09/63/811800963.db2.gz CAOFGXWXIYXEAV-UHFFFAOYSA-N -1 3 298.254 3.150 20 5 CGBDHM CN(Cc1ccc([O-])c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472815 812651065 /nfs/dbraw/zinc/65/10/65/812651065.db2.gz ZUYNQYBZWRJOSN-UHFFFAOYSA-N -1 3 290.294 3.072 20 5 CGBDHM Cc1cccc2c1[C@H](Oc1nccc([O-])c1[N+](=O)[O-])CC2 ZINC001225661792 817130899 /nfs/dbraw/zinc/13/08/99/817130899.db2.gz PFCKPTRWIAKWDS-GFCCVEGCSA-N -1 3 286.287 3.070 20 5 CGBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225664110 817132799 /nfs/dbraw/zinc/13/27/99/817132799.db2.gz JSQYWYITGCEDNM-MRVPVSSYSA-N -1 3 294.694 3.489 20 5 CGBDHM CC[C@@H](C)CC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689702 817694678 /nfs/dbraw/zinc/69/46/78/817694678.db2.gz BZMPUIXCACFJCW-NXEZZACHSA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@@H]1CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@@H](C)C1 ZINC001227692165 817696362 /nfs/dbraw/zinc/69/63/62/817696362.db2.gz UVZBDMYIWRMGFI-IUCAKERBSA-N -1 3 290.323 3.070 20 5 CGBDHM CCC[C@H](C)[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227696382 817697302 /nfs/dbraw/zinc/69/73/02/817697302.db2.gz XPYRGADNNHISRY-GXSJLCMTSA-N -1 3 292.339 3.460 20 5 CGBDHM Cc1cc2[n-]c(O[C@H](C)c3ccncc3)nc2cc1[N+](=O)[O-] ZINC001228671243 817967932 /nfs/dbraw/zinc/96/79/32/817967932.db2.gz FUTIFADPLFMQFU-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3C=CCCC3)nc2cc1[N+](=O)[O-] ZINC001228675650 817969582 /nfs/dbraw/zinc/96/95/82/817969582.db2.gz RZGQJWGEDATIGO-SNVBAGLBSA-N -1 3 273.292 3.267 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3C[C@H]4C=C[C@@H]3C4)nc2cc1[N+](=O)[O-] ZINC001228676046 817969592 /nfs/dbraw/zinc/96/95/92/817969592.db2.gz VIQVTDPNBXLCOH-RBZYPMLTSA-N -1 3 285.303 3.123 20 5 CGBDHM CC(C)(C)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000081233602 345701677 /nfs/dbraw/zinc/70/16/77/345701677.db2.gz RWXRQQARJKWJGC-UHFFFAOYSA-N -1 3 295.320 3.194 20 5 CGBDHM O=c1[n-]ccc(NCC2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596225618 347400736 /nfs/dbraw/zinc/40/07/36/347400736.db2.gz FAHWORBVBQMHNP-UHFFFAOYSA-N -1 3 299.330 3.301 20 5 CGBDHM O=c1[n-]ccc(N2CC[C@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596452423 347459138 /nfs/dbraw/zinc/45/91/38/347459138.db2.gz CZENZGQUIXXXGO-LBPRGKRZSA-N -1 3 291.351 3.102 20 5 CGBDHM O=C([N-]c1cccc(F)c1Cl)c1ccc([N+](=O)[O-])o1 ZINC000336391263 213248713 /nfs/dbraw/zinc/24/87/13/213248713.db2.gz RMQSGGIIXPLUGF-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000178327961 373767228 /nfs/dbraw/zinc/76/72/28/373767228.db2.gz HMCMRGIYIVBLPI-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CC[C@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C ZINC000337004638 376054203 /nfs/dbraw/zinc/05/42/03/376054203.db2.gz YOKGVFLGQVDMHS-ZETCQYMHSA-N -1 3 281.341 3.271 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN(CC1CC1)CC1CCC1 ZINC000339149575 376711940 /nfs/dbraw/zinc/71/19/40/376711940.db2.gz SHJCFEAKYYSJJJ-UHFFFAOYSA-N -1 3 290.363 3.313 20 5 CGBDHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000174875981 335168239 /nfs/dbraw/zinc/16/82/39/335168239.db2.gz DZLYFPGQQOLDBM-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N-][C@H]1CCCC1(F)F ZINC000804688849 617800105 /nfs/dbraw/zinc/80/01/05/617800105.db2.gz SWAYIWJXTGUZFV-VIFPVBQESA-N -1 3 287.222 3.103 20 5 CGBDHM Cc1cc(F)cc(C(=O)Nc2ccccc2[O-])c1[N+](=O)[O-] ZINC000176698942 618644059 /nfs/dbraw/zinc/64/40/59/618644059.db2.gz QWQCLEFNYGDRBX-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1cc2occc2[n-]1 ZINC000786032148 628908746 /nfs/dbraw/zinc/90/87/46/628908746.db2.gz RQUJWFMSFMZRCJ-UHFFFAOYSA-N -1 3 292.272 3.088 20 5 CGBDHM Cc1cccc(CSc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001163299657 806738088 /nfs/dbraw/zinc/73/80/88/806738088.db2.gz WWCXJMZNAXIOKZ-UHFFFAOYSA-N -1 3 276.317 3.296 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(C(F)(F)F)c2)c1 ZINC001199801683 811598581 /nfs/dbraw/zinc/59/85/81/811598581.db2.gz GLUGDTHNQVCJNN-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM CN(C)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223732 811801180 /nfs/dbraw/zinc/80/11/80/811801180.db2.gz FMJKACDFEYRCMR-UHFFFAOYSA-N -1 3 273.292 3.110 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3c2OCCC3)c1 ZINC001201224723 811801311 /nfs/dbraw/zinc/80/13/11/811801311.db2.gz RXEUVEGMCKHWLB-UHFFFAOYSA-N -1 3 286.287 3.369 20 5 CGBDHM CC(C)=CCC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664951 817133350 /nfs/dbraw/zinc/13/33/50/817133350.db2.gz VDUFWDKHGLAJOI-SNVBAGLBSA-N -1 3 266.297 3.209 20 5 CGBDHM CC(C)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336669 817330819 /nfs/dbraw/zinc/33/08/19/817330819.db2.gz RNBKPHIAWDJPAF-JTQLQIEISA-N -1 3 279.214 3.266 20 5 CGBDHM CCC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227690005 817694158 /nfs/dbraw/zinc/69/41/58/817694158.db2.gz DJFSUSOXAFLBBL-SNVBAGLBSA-N -1 3 278.312 3.070 20 5 CGBDHM CCC[C@@H](C)[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227696383 817697429 /nfs/dbraw/zinc/69/74/29/817697429.db2.gz XPYRGADNNHISRY-KOLCDFICSA-N -1 3 292.339 3.460 20 5 CGBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCC3)nc2cc1Cl ZINC001233499468 818628642 /nfs/dbraw/zinc/62/86/42/818628642.db2.gz OHJVBLHKXJQLCS-UHFFFAOYSA-N -1 3 267.672 3.056 20 5 CGBDHM CCn1nc(C)c([N-]c2ncc([N+](=O)[O-])cc2Cl)c1C ZINC000078452462 345608959 /nfs/dbraw/zinc/60/89/59/345608959.db2.gz AKHCDXJLUNZTEC-UHFFFAOYSA-N -1 3 295.730 3.220 20 5 CGBDHM C[C@@H]1CCCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737778 347109399 /nfs/dbraw/zinc/10/93/99/347109399.db2.gz UDIGLNKKPLDGNX-LLVKDONJSA-N -1 3 292.335 3.058 20 5 CGBDHM Cc1cccc2c1CC[C@@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596113162 347384746 /nfs/dbraw/zinc/38/47/46/347384746.db2.gz OLHXNMCFCNNQAE-LBPRGKRZSA-N -1 3 285.303 3.103 20 5 CGBDHM CC[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596135237 347387249 /nfs/dbraw/zinc/38/72/49/347387249.db2.gz GKLSZCPSJPTDTM-NXEZZACHSA-N -1 3 265.313 3.076 20 5 CGBDHM CCS[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596152406 347390177 /nfs/dbraw/zinc/39/01/77/347390177.db2.gz XBROGJGPNCXRST-NXEZZACHSA-N -1 3 297.380 3.172 20 5 CGBDHM O=c1[n-]ccc(N2CC3(CCC3)c3ccccc32)c1[N+](=O)[O-] ZINC000596209082 347398931 /nfs/dbraw/zinc/39/89/31/347398931.db2.gz ZLEBNCBJLJMLAR-UHFFFAOYSA-N -1 3 297.314 3.269 20 5 CGBDHM Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc2occ([O-])c21 ZINC000603677798 348092813 /nfs/dbraw/zinc/09/28/13/348092813.db2.gz ZMDQMCKUWLVKRU-UHFFFAOYSA-N -1 3 299.282 3.057 20 5 CGBDHM Cc1sc(C(=O)[N-]c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000049388115 369400276 /nfs/dbraw/zinc/40/02/76/369400276.db2.gz LIJHURDIRUAXII-UHFFFAOYSA-N -1 3 298.270 3.495 20 5 CGBDHM CCCCn1ncc([N-]c2nccc(C)c2[N+](=O)[O-])c1C ZINC000161124544 372304508 /nfs/dbraw/zinc/30/45/08/372304508.db2.gz VGDLXBDXRYYSCD-UHFFFAOYSA-N -1 3 289.339 3.347 20 5 CGBDHM COc1csc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1 ZINC000353829502 220354260 /nfs/dbraw/zinc/35/42/60/220354260.db2.gz KBMVVAHGRLKODV-UHFFFAOYSA-N -1 3 296.279 3.056 20 5 CGBDHM C[C@@H]1CCCC[C@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000438990314 533607870 /nfs/dbraw/zinc/60/78/70/533607870.db2.gz IKVHTBJOSUYCHB-BXUZGUMPSA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc([O-])c1 ZINC000192731446 270077552 /nfs/dbraw/zinc/07/75/52/270077552.db2.gz VYMNYAJAORNLKF-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cccc1[N+](=O)[O-] ZINC000174875458 335168345 /nfs/dbraw/zinc/16/83/45/335168345.db2.gz QTTQNXWFXPGQDG-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc([O-])cc1F ZINC000070333135 618749056 /nfs/dbraw/zinc/74/90/56/618749056.db2.gz FUQLUOZDCNFJHW-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CCc1cccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001161956920 806489875 /nfs/dbraw/zinc/48/98/75/806489875.db2.gz CCJFYBCKIUFTFD-UHFFFAOYSA-N -1 3 260.249 3.050 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2cncc([O-])c2)c(Cl)c1 ZINC001248594711 804958528 /nfs/dbraw/zinc/95/85/28/804958528.db2.gz QVPWPJSUHUKHHE-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM CN(Cc1ccc(Cl)s1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001184564330 810209753 /nfs/dbraw/zinc/20/97/53/810209753.db2.gz YDAQSEUAMMYTQF-UHFFFAOYSA-N -1 3 299.739 3.047 20 5 CGBDHM Cc1ccc([N-]c2ncc(C)c(C)n2)c([N+](=O)[O-])c1 ZINC001214164863 815375454 /nfs/dbraw/zinc/37/54/54/815375454.db2.gz FYSWSLWRJPLELY-UHFFFAOYSA-N -1 3 258.281 3.054 20 5 CGBDHM Cc1cn2c(cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199802839 811598498 /nfs/dbraw/zinc/59/84/98/811598498.db2.gz ZXIGWXFYVQJYBA-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM CC(C)(C)c1nnc(Nc2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC001199801185 811599473 /nfs/dbraw/zinc/59/94/73/811599473.db2.gz BCANJQKAYACNLC-UHFFFAOYSA-N -1 3 294.336 3.193 20 5 CGBDHM Cc1cn2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2n1 ZINC001199818891 811600462 /nfs/dbraw/zinc/60/04/62/811600462.db2.gz FZDFEJMQSZTCNJ-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(OC)c1 ZINC001199828584 811600857 /nfs/dbraw/zinc/60/08/57/811600857.db2.gz NLQPRVQBUSMGGY-UHFFFAOYSA-N -1 3 290.275 3.061 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(F)cc2Cl)c1 ZINC001199819481 811601213 /nfs/dbraw/zinc/60/12/13/811601213.db2.gz SUSBPRYQNZJRCF-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM COc1c(F)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201221940 811799302 /nfs/dbraw/zinc/79/93/02/811799302.db2.gz GCFHSMRWSOWQPL-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(-n3cccn3)c2)c1 ZINC001201222383 811799536 /nfs/dbraw/zinc/79/95/36/811799536.db2.gz MOIBJKHDNFTUQI-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001201221349 811799558 /nfs/dbraw/zinc/79/95/58/811799558.db2.gz AJELWWKGRIQXNF-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)c(CO)c2)c1 ZINC001201224706 811800419 /nfs/dbraw/zinc/80/04/19/811800419.db2.gz QNKSEFHACYMUGG-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM C[C@@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@H]1C ZINC001227691114 817694094 /nfs/dbraw/zinc/69/40/94/817694094.db2.gz MPIWVONVKVNHRK-OPRDCNLKSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@H]1CCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227741304 817709313 /nfs/dbraw/zinc/70/93/13/817709313.db2.gz LLWJEZBPPCGVFE-QPUJVOFHSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227741304 817709320 /nfs/dbraw/zinc/70/93/20/817709320.db2.gz LLWJEZBPPCGVFE-QPUJVOFHSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000593734785 347109041 /nfs/dbraw/zinc/10/90/41/347109041.db2.gz NQHYMZCPWZSNBF-JTQLQIEISA-N -1 3 294.351 3.159 20 5 CGBDHM Cc1ccc2c(c1)[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CCC2 ZINC000596240508 347402829 /nfs/dbraw/zinc/40/28/29/347402829.db2.gz CWAYKFXMXBPBTG-CYBMUJFWSA-N -1 3 299.330 3.493 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596497866 347468866 /nfs/dbraw/zinc/46/88/66/347468866.db2.gz FJTLSYGIJHCFPS-VXGBXAGGSA-N -1 3 285.303 3.054 20 5 CGBDHM CC1(C)CCC[C@@H]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599115760 347717348 /nfs/dbraw/zinc/71/73/48/347717348.db2.gz LNDLRKRBCWLQHI-SNVBAGLBSA-N -1 3 279.340 3.324 20 5 CGBDHM Cc1cc([N-]c2ccn(CCC(C)C)n2)ncc1[N+](=O)[O-] ZINC000302010179 201296793 /nfs/dbraw/zinc/29/67/93/201296793.db2.gz CCQYZVPVSORFIG-UHFFFAOYSA-N -1 3 289.339 3.284 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000179558557 373887690 /nfs/dbraw/zinc/88/76/90/373887690.db2.gz LOGXDLUNKWHPLI-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CC(C)(C)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339083297 376667480 /nfs/dbraw/zinc/66/74/80/376667480.db2.gz MIRWUVQENXJZJE-GFCCVEGCSA-N -1 3 278.352 3.168 20 5 CGBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000339088104 376671452 /nfs/dbraw/zinc/67/14/52/376671452.db2.gz NMIGTBSUKDKATD-LLVKDONJSA-N -1 3 278.352 3.168 20 5 CGBDHM CC[C@@H](C)n1ncc([N-]c2ncccc2[N+](=O)[O-])c1C ZINC000357639233 381236948 /nfs/dbraw/zinc/23/69/48/381236948.db2.gz UOVUAVYLBUVMBX-SECBINFHSA-N -1 3 275.312 3.209 20 5 CGBDHM C[C@@H](C(=O)Nc1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000564276965 322024754 /nfs/dbraw/zinc/02/47/54/322024754.db2.gz UEKHISSMNUWDDT-SNVBAGLBSA-N -1 3 286.287 3.043 20 5 CGBDHM O=c1[n-]c(Oc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000750530473 573146065 /nfs/dbraw/zinc/14/60/65/573146065.db2.gz KODIYKDNAKAOLS-UHFFFAOYSA-N -1 3 283.243 3.036 20 5 CGBDHM CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])SC ZINC000695457296 799829525 /nfs/dbraw/zinc/82/95/25/799829525.db2.gz FHCQMECNGJJSCB-UHFFFAOYSA-N -1 3 285.369 3.029 20 5 CGBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828795 811601013 /nfs/dbraw/zinc/60/10/13/811601013.db2.gz SSKODVVPLIWFDF-UHFFFAOYSA-N -1 3 260.249 3.053 20 5 CGBDHM COc1cc(F)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223446 811800454 /nfs/dbraw/zinc/80/04/54/811800454.db2.gz YUKPYJISFANEEC-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM COc1ncc(Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001210138576 814306266 /nfs/dbraw/zinc/30/62/66/814306266.db2.gz KNHUNCYYAMXVAL-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM C[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1[N+](=O)[O-] ZINC001225343147 817019966 /nfs/dbraw/zinc/01/99/66/817019966.db2.gz QMIOGAIHDCFVNF-JTQLQIEISA-N -1 3 299.282 3.310 20 5 CGBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225667038 817134035 /nfs/dbraw/zinc/13/40/35/817134035.db2.gz OMXMGAPIUGGCLB-ZETCQYMHSA-N -1 3 296.229 3.114 20 5 CGBDHM CC/C=C(\C)[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227696359 817696979 /nfs/dbraw/zinc/69/69/79/817696979.db2.gz WZRXHXHLHWQICF-OALRPVAKSA-N -1 3 290.323 3.380 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(OC(C3CC3)C3CC3)[n-]c2c1 ZINC001227745232 817710119 /nfs/dbraw/zinc/71/01/19/817710119.db2.gz LDIBWFIDSKKUPV-UHFFFAOYSA-N -1 3 273.292 3.039 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(OC(C3CC3)C3CC3)nc2c1 ZINC001227745232 817710128 /nfs/dbraw/zinc/71/01/28/817710128.db2.gz LDIBWFIDSKKUPV-UHFFFAOYSA-N -1 3 273.292 3.039 20 5 CGBDHM C[C@@H]1CCCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747313 817711688 /nfs/dbraw/zinc/71/16/88/817711688.db2.gz ZSCILVBGEHBIBA-RNCFNFMXSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H]1CCCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747313 817711695 /nfs/dbraw/zinc/71/16/95/817711695.db2.gz ZSCILVBGEHBIBA-RNCFNFMXSA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1Cl ZINC001458433772 937462614 /nfs/dbraw/zinc/46/26/14/937462614.db2.gz JPJYFADYTPXUQB-UHFFFAOYSA-N -1 3 280.667 3.450 20 5 CGBDHM C[C@H]([N-]c1nnc(C(F)F)o1)c1ccc([N+](=O)[O-])cc1 ZINC000294985553 199284824 /nfs/dbraw/zinc/28/48/24/199284824.db2.gz PWLZRRUDMYNGHN-LURJTMIESA-N -1 3 284.222 3.089 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000092485385 345841761 /nfs/dbraw/zinc/84/17/61/345841761.db2.gz QHAOBGYNYOFAKL-FZMZJTMJSA-N -1 3 276.336 3.065 20 5 CGBDHM C[C@H](C1CC1)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000092009312 345828187 /nfs/dbraw/zinc/82/81/87/345828187.db2.gz VSJGXAFIFXSQCO-SNVBAGLBSA-N -1 3 276.336 3.063 20 5 CGBDHM CC[C@H]1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596249677 347404230 /nfs/dbraw/zinc/40/42/30/347404230.db2.gz JYCKSGLUBHSNIX-WDEREUQCSA-N -1 3 279.340 3.324 20 5 CGBDHM CC(C)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596085760 347381775 /nfs/dbraw/zinc/38/17/75/347381775.db2.gz QTECGKCLVYVWPO-UHFFFAOYSA-N -1 3 287.319 3.431 20 5 CGBDHM Cc1ccc(C[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596135124 347387165 /nfs/dbraw/zinc/38/71/65/347387165.db2.gz RWOCNBJHCUBACC-QMMMGPOBSA-N -1 3 293.348 3.108 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596138178 347388163 /nfs/dbraw/zinc/38/81/63/347388163.db2.gz QPQRTIGPNIDZJI-HBNTYKKESA-N -1 3 277.324 3.076 20 5 CGBDHM CCS[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596152407 347390374 /nfs/dbraw/zinc/39/03/74/347390374.db2.gz XBROGJGPNCXRST-UWVGGRQHSA-N -1 3 297.380 3.172 20 5 CGBDHM CCS[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596152408 347390530 /nfs/dbraw/zinc/39/05/30/347390530.db2.gz XBROGJGPNCXRST-VHSXEESVSA-N -1 3 297.380 3.172 20 5 CGBDHM CCC[C@@H](CC)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596223407 347401194 /nfs/dbraw/zinc/40/11/94/347401194.db2.gz NWOMAOZLGGETRD-MRVPVSSYSA-N -1 3 256.327 3.366 20 5 CGBDHM CC[C@@H](C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)on1 ZINC000131092257 371083174 /nfs/dbraw/zinc/08/31/74/371083174.db2.gz KOTYHYUKVWVCDH-SECBINFHSA-N -1 3 289.291 3.349 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000339084933 376670406 /nfs/dbraw/zinc/67/04/06/376670406.db2.gz SORCBYFHTDKPGK-GFCCVEGCSA-N -1 3 276.336 3.089 20 5 CGBDHM O=C(Nc1cccc([O-])c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342868723 377848770 /nfs/dbraw/zinc/84/87/70/377848770.db2.gz QFTNLBINCRDERQ-UHFFFAOYSA-N -1 3 297.270 3.034 20 5 CGBDHM C[C@@H]1CCC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000343090525 287411009 /nfs/dbraw/zinc/41/10/09/287411009.db2.gz FJDXNGNZYMICRB-JTNHKYCSSA-N -1 3 278.352 3.215 20 5 CGBDHM O=C([N-]c1ccncc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000132020726 534422553 /nfs/dbraw/zinc/42/25/53/534422553.db2.gz MFFQCJSLTXYDFF-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000787172255 628999654 /nfs/dbraw/zinc/99/96/54/628999654.db2.gz UNOXMGNAHQXDMO-AZFXQDNWSA-N -1 3 283.287 3.207 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2ncc(F)cc2[O-])c(Cl)c1 ZINC001248598093 804960244 /nfs/dbraw/zinc/96/02/44/804960244.db2.gz GXDDDROGOXMPMU-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)nc2)c1 ZINC001199801359 811598245 /nfs/dbraw/zinc/59/82/45/811598245.db2.gz DFPATERHJCTOCW-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM Cc1cn2cccc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2n1 ZINC001199814422 811598618 /nfs/dbraw/zinc/59/86/18/811598618.db2.gz JTWZWEPFYZPXDH-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM COc1nccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC001199802608 811598756 /nfs/dbraw/zinc/59/87/56/811598756.db2.gz VZAQHNVQBHOGSP-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM CSc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccn1 ZINC001199828718 811600172 /nfs/dbraw/zinc/60/01/72/811600172.db2.gz QHJBOSLCQBTBAF-UHFFFAOYSA-N -1 3 277.305 3.161 20 5 CGBDHM COc1c(F)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828470 811600954 /nfs/dbraw/zinc/60/09/54/811600954.db2.gz JHNGMDOZUKOIFH-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3oncc3c2)c1 ZINC001201223723 811801584 /nfs/dbraw/zinc/80/15/84/811801584.db2.gz FKRFFLARBJDBOX-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM Nc1ccc(Nc2cnc3cccc([O-])c3c2)cc1[N+](=O)[O-] ZINC001209934483 814203147 /nfs/dbraw/zinc/20/31/47/814203147.db2.gz IFIDHUHUCDTFCF-UHFFFAOYSA-N -1 3 296.286 3.174 20 5 CGBDHM O=[N+]([O-])c1cccc([N-]c2noc3cccnc32)c1F ZINC001210378920 814432365 /nfs/dbraw/zinc/43/23/65/814432365.db2.gz RCDLEEDGIGETOS-UHFFFAOYSA-N -1 3 274.211 3.014 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H](c1ccccc1)C1CC1 ZINC001225662284 817131053 /nfs/dbraw/zinc/13/10/53/817131053.db2.gz SHTTYBOUTNMQDH-AWEZNQCLSA-N -1 3 286.287 3.226 20 5 CGBDHM COC(C)(C)C[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743438 817709481 /nfs/dbraw/zinc/70/94/81/817709481.db2.gz PEASDUSDCJUBMP-VIFPVBQESA-N -1 3 293.323 3.054 20 5 CGBDHM COC(C)(C)C[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743438 817709485 /nfs/dbraw/zinc/70/94/85/817709485.db2.gz PEASDUSDCJUBMP-VIFPVBQESA-N -1 3 293.323 3.054 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001228689698 817973040 /nfs/dbraw/zinc/97/30/40/817973040.db2.gz WSRLDUYEMGSLGS-JTQLQIEISA-N -1 3 280.324 3.351 20 5 CGBDHM O=c1nc(Cl)cc(SCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001472745402 937782505 /nfs/dbraw/zinc/78/25/05/937782505.db2.gz AZKNNXWPGGVJJC-UHFFFAOYSA-N -1 3 297.723 3.036 20 5 CGBDHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000072504851 345410303 /nfs/dbraw/zinc/41/03/03/345410303.db2.gz AUGGDJBZDSZJCA-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM Cc1ccc2c(c1)[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596124534 347386031 /nfs/dbraw/zinc/38/60/31/347386031.db2.gz XROTVRLDCSLNJL-LBPRGKRZSA-N -1 3 285.303 3.103 20 5 CGBDHM Cc1ccc(CC[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596139919 347388051 /nfs/dbraw/zinc/38/80/51/347388051.db2.gz XSCHRSIQOFTZJM-SECBINFHSA-N -1 3 291.307 3.030 20 5 CGBDHM Cc1cc([N-]c2cnn(C)c2C(F)F)c([N+](=O)[O-])s1 ZINC000596179835 347395107 /nfs/dbraw/zinc/39/51/07/347395107.db2.gz RHFPTBDKSRFNTR-UHFFFAOYSA-N -1 3 288.279 3.379 20 5 CGBDHM O=c1[n-]ccc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000598646328 347675129 /nfs/dbraw/zinc/67/51/29/347675129.db2.gz FKTAFAVZOGKJJO-BBBLOLIVSA-N -1 3 280.349 3.224 20 5 CGBDHM CCC(F)(F)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599155688 347721662 /nfs/dbraw/zinc/72/16/62/347721662.db2.gz LDKZQALATPVCQY-UHFFFAOYSA-N -1 3 289.282 3.179 20 5 CGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1F ZINC000054215190 369498962 /nfs/dbraw/zinc/49/89/62/369498962.db2.gz ZPTIGIYNMSTZDC-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342883164 377852384 /nfs/dbraw/zinc/85/23/84/377852384.db2.gz SSRMMIJSNJGFTA-UHFFFAOYSA-N -1 3 297.270 3.034 20 5 CGBDHM C[C@@H]1CCC(C)(C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000452007485 296301889 /nfs/dbraw/zinc/30/18/89/296301889.db2.gz NIOKQDXQXYPYFH-SNVBAGLBSA-N -1 3 264.325 3.063 20 5 CGBDHM Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000019838932 170887562 /nfs/dbraw/zinc/88/75/62/170887562.db2.gz KYWXSYLMZHUKJB-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000136304877 287482345 /nfs/dbraw/zinc/48/23/45/287482345.db2.gz NIWLVPJJGRJKGU-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CCCCCSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825275925 608412651 /nfs/dbraw/zinc/41/26/51/608412651.db2.gz IDFYULHFNZYJPZ-UHFFFAOYSA-N -1 3 293.352 3.057 20 5 CGBDHM CCCCCSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825275925 608412652 /nfs/dbraw/zinc/41/26/52/608412652.db2.gz IDFYULHFNZYJPZ-UHFFFAOYSA-N -1 3 293.352 3.057 20 5 CGBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2occc2[n-]1 ZINC000786031760 628909020 /nfs/dbraw/zinc/90/90/20/628909020.db2.gz PSTHLPZQUCDMFS-UHFFFAOYSA-N -1 3 286.243 3.026 20 5 CGBDHM C[C@H](OC(=O)c1ccc([O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000137340604 637452903 /nfs/dbraw/zinc/45/29/03/637452903.db2.gz LHALZFLPUFLIEK-JTQLQIEISA-N -1 3 287.271 3.218 20 5 CGBDHM O=c1[n-]ccc(NCc2cccc(Cl)c2F)c1[N+](=O)[O-] ZINC001162651984 806640486 /nfs/dbraw/zinc/64/04/86/806640486.db2.gz DLYHSPZKOOKSBU-UHFFFAOYSA-N -1 3 297.673 3.100 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC=CC12CCCCC2 ZINC001176994996 809773255 /nfs/dbraw/zinc/77/32/55/809773255.db2.gz GOIVRDPMYNLWTA-UHFFFAOYSA-N -1 3 288.347 3.375 20 5 CGBDHM Cc1ccc(Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001213667346 815321529 /nfs/dbraw/zinc/32/15/29/815321529.db2.gz NVQKQTSVPJOEHE-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM O=c1[n-]ccc(Oc2ccc(F)cc2Cl)c1[N+](=O)[O-] ZINC001184572587 810210099 /nfs/dbraw/zinc/21/00/99/810210099.db2.gz TVOOFYDBDDWCRM-UHFFFAOYSA-N -1 3 284.630 3.280 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccncc3)no2)c1 ZINC001199815006 811598124 /nfs/dbraw/zinc/59/81/24/811598124.db2.gz RTZIKKZPUHOYIP-UHFFFAOYSA-N -1 3 298.258 3.094 20 5 CGBDHM Cn1nc(C2CCC2)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819131 811600780 /nfs/dbraw/zinc/60/07/80/811600780.db2.gz LGYBUNGOBDOWBL-UHFFFAOYSA-N -1 3 288.307 3.045 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c(F)c2F)c1 ZINC001201221761 811798818 /nfs/dbraw/zinc/79/88/18/811798818.db2.gz GSAIQPSUKZUYSN-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC001201223994 811800551 /nfs/dbraw/zinc/80/05/51/811800551.db2.gz GXSSLCDITLFJHL-UHFFFAOYSA-N -1 3 274.276 3.312 20 5 CGBDHM CCOc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224732 811800604 /nfs/dbraw/zinc/80/06/04/811800604.db2.gz SFTDHQJXNSDXAE-UHFFFAOYSA-N -1 3 274.276 3.443 20 5 CGBDHM CCc1cccc(O)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201231069 811801954 /nfs/dbraw/zinc/80/19/54/811801954.db2.gz COEHAOAGQUQMSH-UHFFFAOYSA-N -1 3 274.276 3.312 20 5 CGBDHM CNc1cccc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201232831 811802425 /nfs/dbraw/zinc/80/24/25/811802425.db2.gz UVDKIGUQRVZJQK-UHFFFAOYSA-N -1 3 273.292 3.394 20 5 CGBDHM O=c1cc(Nc2cccc([N+](=O)[O-])c2)[n-]n1-c1ccccc1 ZINC001204440072 812639339 /nfs/dbraw/zinc/63/93/39/812639339.db2.gz QFJOEABKRHTTFR-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM C[C@@H](CCc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665435 817133290 /nfs/dbraw/zinc/13/32/90/817133290.db2.gz ZGXIJTZIOYISFL-NSHDSACASA-N -1 3 288.303 3.096 20 5 CGBDHM CCC[C@@H](C)[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664999 817133320 /nfs/dbraw/zinc/13/33/20/817133320.db2.gz WMLVOWBZSQVWCI-MWLCHTKSSA-N -1 3 268.313 3.289 20 5 CGBDHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001225740452 817163174 /nfs/dbraw/zinc/16/31/74/817163174.db2.gz HCDFMSXEGVOPJF-VIFPVBQESA-N -1 3 291.332 3.122 20 5 CGBDHM Cc1ccc([C@@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1 ZINC001227690938 817694421 /nfs/dbraw/zinc/69/44/21/817694421.db2.gz LBMCIEJJVUCSJR-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM CC1(C)CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227689684 817694532 /nfs/dbraw/zinc/69/45/32/817694532.db2.gz BQEYSKYWOJROIE-VIFPVBQESA-N -1 3 290.323 3.214 20 5 CGBDHM CC[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227742518 817709135 /nfs/dbraw/zinc/70/91/35/817709135.db2.gz AQGWIBHLNDENBG-GFCCVEGCSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227742518 817709129 /nfs/dbraw/zinc/70/91/29/817709129.db2.gz AQGWIBHLNDENBG-GFCCVEGCSA-N -1 3 263.297 3.285 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228687192 817973248 /nfs/dbraw/zinc/97/32/48/817973248.db2.gz UFNSJKXRNVPGRC-WCABBAIRSA-N -1 3 280.324 3.207 20 5 CGBDHM CC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498585 818627350 /nfs/dbraw/zinc/62/73/50/818627350.db2.gz MILYANISIQXEBA-LURJTMIESA-N -1 3 269.688 3.302 20 5 CGBDHM CCCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595631256 981835616 /nfs/dbraw/zinc/83/56/16/981835616.db2.gz IOJNUDLFXQEUED-LLVKDONJSA-N -1 3 294.351 3.304 20 5 CGBDHM CCCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000127577374 187316772 /nfs/dbraw/zinc/31/67/72/187316772.db2.gz URVCTJUNKMIWAF-UHFFFAOYSA-N -1 3 297.361 3.318 20 5 CGBDHM CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733195 347109171 /nfs/dbraw/zinc/10/91/71/347109171.db2.gz WPRLSRZYQFESPU-CYBMUJFWSA-N -1 3 292.335 3.058 20 5 CGBDHM CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000593738643 347109248 /nfs/dbraw/zinc/10/92/48/347109248.db2.gz VNLJEZSHUPSHNA-UHFFFAOYSA-N -1 3 292.335 3.056 20 5 CGBDHM Cc1ccc2c(c1)[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CCC2 ZINC000596234810 347401622 /nfs/dbraw/zinc/40/16/22/347401622.db2.gz CWAYKFXMXBPBTG-ZDUSSCGKSA-N -1 3 299.330 3.493 20 5 CGBDHM CC(C)(C)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596241468 347402854 /nfs/dbraw/zinc/40/28/54/347402854.db2.gz FRJNEGNTNQXWCW-UHFFFAOYSA-N -1 3 267.329 3.180 20 5 CGBDHM C[C@H]1CCC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596128814 347386104 /nfs/dbraw/zinc/38/61/04/347386104.db2.gz NSYVQMZAVMKEBC-WDEREUQCSA-N -1 3 279.340 3.324 20 5 CGBDHM C[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596204827 347398461 /nfs/dbraw/zinc/39/84/61/347398461.db2.gz YYNYEDGAQCYWEN-UWVGGRQHSA-N -1 3 265.313 3.076 20 5 CGBDHM Cc1cc(OCc2cccc([N+](=O)[O-])c2)cc2occ([O-])c21 ZINC000603677777 348092858 /nfs/dbraw/zinc/09/28/58/348092858.db2.gz SHTGFLWFTRDMIS-UHFFFAOYSA-N -1 3 299.282 3.057 20 5 CGBDHM Cc1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000123082583 187069749 /nfs/dbraw/zinc/06/97/49/187069749.db2.gz CLJNZJCRYLYDOC-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CCc1ccc(C(=O)Nc2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000133641844 371268920 /nfs/dbraw/zinc/26/89/20/371268920.db2.gz BZNIYYAPFDSOMQ-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM Cc1sc(C(=O)Nc2c(C)cccc2[O-])cc1[N+](=O)[O-] ZINC000179543166 373885494 /nfs/dbraw/zinc/88/54/94/373885494.db2.gz IPXAUTFTWIRIIE-UHFFFAOYSA-N -1 3 292.316 3.231 20 5 CGBDHM COc1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000184492105 374532076 /nfs/dbraw/zinc/53/20/76/374532076.db2.gz CXXFXXNXWPOBIC-UHFFFAOYSA-N -1 3 296.279 3.056 20 5 CGBDHM CC(C)c1ncsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000456462969 374548331 /nfs/dbraw/zinc/54/83/31/374548331.db2.gz SUIFMZBQAFWGEF-UHFFFAOYSA-N -1 3 281.293 3.020 20 5 CGBDHM CC(C)(C)[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338963120 376604079 /nfs/dbraw/zinc/60/40/79/376604079.db2.gz LTRMMIMXTHFSEY-CQSZACIVSA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000050176966 286931062 /nfs/dbraw/zinc/93/10/62/286931062.db2.gz SDXMXNNIQLNWCN-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(Sc2cccc([O-])c2)n1 ZINC000130419533 287354792 /nfs/dbraw/zinc/35/47/92/287354792.db2.gz CWEAPNPVNSZXPR-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM CCc1coc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000559316513 289542729 /nfs/dbraw/zinc/54/27/29/289542729.db2.gz XIVVTOFBXOXOIA-UHFFFAOYSA-N -1 3 295.682 3.051 20 5 CGBDHM Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c([O-])c1 ZINC000040887352 639898664 /nfs/dbraw/zinc/89/86/64/639898664.db2.gz CJLMAQKHRWUTED-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1cc(Cl)no1 ZINC001290034557 809398593 /nfs/dbraw/zinc/39/85/93/809398593.db2.gz HWYGCOUXZCHNSV-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM O=C([O-])c1cc(Nc2ccnc(C3CC3)c2)cc([N+](=O)[O-])c1 ZINC001176678527 809741120 /nfs/dbraw/zinc/74/11/20/809741120.db2.gz SCMDEGFVRGVYKG-UHFFFAOYSA-N -1 3 299.286 3.309 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2Cl)c1 ZINC001199801040 811598173 /nfs/dbraw/zinc/59/81/73/811598173.db2.gz OQSVOZZXRCJJGW-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM CCc1cccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814613 811599316 /nfs/dbraw/zinc/59/93/16/811599316.db2.gz LRKJFMMDMNGBGG-UHFFFAOYSA-N -1 3 259.265 3.001 20 5 CGBDHM COc1ncc(Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001210138017 814306243 /nfs/dbraw/zinc/30/62/43/814306243.db2.gz BEVZPVKMYXKMMK-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM O=[N+]([O-])c1cccc(Nc2cccc(F)c2[O-])c1F ZINC001210383861 814435757 /nfs/dbraw/zinc/43/57/57/814435757.db2.gz BJPNGRIVIAKGAN-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1c(F)cccc1F ZINC001225661517 817131345 /nfs/dbraw/zinc/13/13/45/817131345.db2.gz MFGAVFYOMBXMEP-SSDOTTSWSA-N -1 3 296.229 3.114 20 5 CGBDHM Cc1ccc([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c(C)c1 ZINC001225666150 817133333 /nfs/dbraw/zinc/13/33/33/817133333.db2.gz GSNBQDFXCHGBOB-NSHDSACASA-N -1 3 288.303 3.452 20 5 CGBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1F ZINC001225668028 817134073 /nfs/dbraw/zinc/13/40/73/817134073.db2.gz XYJIIGJWUPMYBI-SSDOTTSWSA-N -1 3 296.229 3.114 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCCC[C@@H]3F)[n-]c2c1 ZINC001227742651 817709736 /nfs/dbraw/zinc/70/97/36/817709736.db2.gz COZDWMOEXBEJFU-JOYOIKCWSA-N -1 3 279.271 3.131 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCCC[C@@H]3F)nc2c1 ZINC001227742651 817709739 /nfs/dbraw/zinc/70/97/39/817709739.db2.gz COZDWMOEXBEJFU-JOYOIKCWSA-N -1 3 279.271 3.131 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3C[C@H]4CC[C@@H]3C4)nc2cc1[N+](=O)[O-] ZINC001228674104 817967849 /nfs/dbraw/zinc/96/78/49/817967849.db2.gz IGPYRJUDZZDWNV-IMSIIYSGSA-N -1 3 287.319 3.347 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3CC[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672811 817968882 /nfs/dbraw/zinc/96/88/82/817968882.db2.gz BEKLXKJYGNNOCW-SCZZXKLOSA-N -1 3 275.308 3.347 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001228686808 817972959 /nfs/dbraw/zinc/97/29/59/817972959.db2.gz RGAXZSDVTCZTLK-ATZCPNFKSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC001228687691 817974044 /nfs/dbraw/zinc/97/40/44/817974044.db2.gz ZQCVKQULJMZYMG-SECBINFHSA-N -1 3 292.266 3.283 20 5 CGBDHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cccc([N+](=O)[O-])c1 ZINC001233680872 818678692 /nfs/dbraw/zinc/67/86/92/818678692.db2.gz OVFLLODNYNCOJL-SNVBAGLBSA-N -1 3 299.282 3.310 20 5 CGBDHM CS[C@H]1CC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001343878139 936516460 /nfs/dbraw/zinc/51/64/60/936516460.db2.gz QPMBVXJKTPBYMZ-YPMHNXCESA-N -1 3 296.392 3.016 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001354412513 937101383 /nfs/dbraw/zinc/10/13/83/937101383.db2.gz UATHVJHGNFWCQA-LBPRGKRZSA-N -1 3 291.351 3.102 20 5 CGBDHM Cc1ccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001559053197 938219520 /nfs/dbraw/zinc/21/95/20/938219520.db2.gz DIVLRFGSFSRTAV-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1C1CCC1 ZINC000092780738 345857793 /nfs/dbraw/zinc/85/77/93/345857793.db2.gz BSPBJLGIUTZFPT-CQSZACIVSA-N -1 3 276.336 3.065 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CCC2)CC1 ZINC000589188192 346788394 /nfs/dbraw/zinc/78/83/94/346788394.db2.gz IIJMEODVIJXVDY-UHFFFAOYSA-N -1 3 276.336 3.067 20 5 CGBDHM CC[C@H]1CCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596249675 347404331 /nfs/dbraw/zinc/40/43/31/347404331.db2.gz JYCKSGLUBHSNIX-QWRGUYRKSA-N -1 3 279.340 3.324 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596060867 347378301 /nfs/dbraw/zinc/37/83/01/347378301.db2.gz KYLSGCYUKYSOSF-SDDRHHMPSA-N -1 3 291.351 3.466 20 5 CGBDHM CC(C)(C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596133554 347386586 /nfs/dbraw/zinc/38/65/86/347386586.db2.gz XEBRZWLPOMOXJR-LLVKDONJSA-N -1 3 293.367 3.348 20 5 CGBDHM C[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596204826 347398415 /nfs/dbraw/zinc/39/84/15/347398415.db2.gz YYNYEDGAQCYWEN-NXEZZACHSA-N -1 3 265.313 3.076 20 5 CGBDHM C[C@H]1CCC(C)(C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000452007484 374215206 /nfs/dbraw/zinc/21/52/06/374215206.db2.gz NIOKQDXQXYPYFH-JTQLQIEISA-N -1 3 264.325 3.063 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000330577042 374483361 /nfs/dbraw/zinc/48/33/61/374483361.db2.gz NGRIIRFGSTZRCT-UHFFFAOYSA-N -1 3 264.325 3.065 20 5 CGBDHM CC1CCC(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338913033 376570392 /nfs/dbraw/zinc/57/03/92/376570392.db2.gz XJWZHHIOXXLKJB-UHFFFAOYSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@@H]1CCC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338913606 376571886 /nfs/dbraw/zinc/57/18/86/376571886.db2.gz WOJQQTGRKACXJF-YPMHNXCESA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1nc2ccc([N-]c3ncc([N+](=O)[O-])cn3)cc2s1 ZINC000354502320 380462221 /nfs/dbraw/zinc/46/22/21/380462221.db2.gz FKSADAGGHDVQJI-UHFFFAOYSA-N -1 3 287.304 3.047 20 5 CGBDHM Cc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)sc1C ZINC000781966066 628607979 /nfs/dbraw/zinc/60/79/79/628607979.db2.gz GTSOMRNNWGSHJO-UHFFFAOYSA-N -1 3 295.295 3.060 20 5 CGBDHM Cc1c2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc2ccc1F ZINC001251044939 805836568 /nfs/dbraw/zinc/83/65/68/805836568.db2.gz BZKFKKJAIOZZGY-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cnc1Cl ZINC001199802648 811598253 /nfs/dbraw/zinc/59/82/53/811598253.db2.gz WHAOOOOIFNEVIB-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=C1CCc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201223125 811798889 /nfs/dbraw/zinc/79/88/89/811798889.db2.gz UOZCAOOYGLLTFG-UHFFFAOYSA-N -1 3 284.271 3.173 20 5 CGBDHM Cc1c(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1O ZINC001201224929 811800401 /nfs/dbraw/zinc/80/04/01/811800401.db2.gz WINQJSAHNXRKMC-UHFFFAOYSA-N -1 3 274.276 3.366 20 5 CGBDHM CCC(=O)c1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001458061749 937449754 /nfs/dbraw/zinc/44/97/54/937449754.db2.gz KENRFWZIOFDDCD-UHFFFAOYSA-N -1 3 288.259 3.080 20 5 CGBDHM Cc1coc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001532232555 938085526 /nfs/dbraw/zinc/08/55/26/938085526.db2.gz KXGXFNHWSZUZPT-UHFFFAOYSA-N -1 3 282.202 3.027 20 5 CGBDHM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000339076598 214937936 /nfs/dbraw/zinc/93/79/36/214937936.db2.gz YQUWXQZJZABLTI-CYBMUJFWSA-N -1 3 266.341 3.215 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000092709533 345854041 /nfs/dbraw/zinc/85/40/41/345854041.db2.gz UKLFZRLHVGBXCR-FZMZJTMJSA-N -1 3 276.336 3.065 20 5 CGBDHM CCC(CC)N(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339206591 215012583 /nfs/dbraw/zinc/01/25/83/215012583.db2.gz WPOVGBIURMPESL-UHFFFAOYSA-N -1 3 266.341 3.311 20 5 CGBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000594988696 347249997 /nfs/dbraw/zinc/24/99/97/347249997.db2.gz BPEDILACPCWCQL-ZBOXLXRLSA-N -1 3 296.342 3.307 20 5 CGBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000594988694 347250489 /nfs/dbraw/zinc/25/04/89/347250489.db2.gz BPEDILACPCWCQL-XSRFYTQQSA-N -1 3 296.342 3.307 20 5 CGBDHM O=c1[n-]ccc(NCC[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000596256762 347405717 /nfs/dbraw/zinc/40/57/17/347405717.db2.gz GUKPAFJEQRHOFJ-LBPRGKRZSA-N -1 3 299.330 3.227 20 5 CGBDHM CCc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1C(C)C ZINC000601938055 347926376 /nfs/dbraw/zinc/92/63/76/347926376.db2.gz GJOIRQNGDISOBM-AWEZNQCLSA-N -1 3 289.335 3.288 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)n1 ZINC000359094941 233260746 /nfs/dbraw/zinc/26/07/46/233260746.db2.gz JALUTIHEPAORQN-UHFFFAOYSA-N -1 3 291.282 3.063 20 5 CGBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c([O-])c1 ZINC000041031498 369168900 /nfs/dbraw/zinc/16/89/00/369168900.db2.gz KVLOMVYXOVSAML-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=C([N-]c1cc(F)cc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000334397468 374714552 /nfs/dbraw/zinc/71/45/52/374714552.db2.gz CZZRKIIFMFBHFY-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCC2 ZINC000339064740 376656140 /nfs/dbraw/zinc/65/61/40/376656140.db2.gz UHXYPFLGAZJBAZ-GFCCVEGCSA-N -1 3 290.363 3.313 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC2(CCC2)C1 ZINC000339139623 376703871 /nfs/dbraw/zinc/70/38/71/376703871.db2.gz HFZSQHQZOFRRKC-UHFFFAOYSA-N -1 3 276.336 3.067 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])c(Sc2cccc([O-])c2)n1 ZINC000347885669 218390096 /nfs/dbraw/zinc/39/00/96/218390096.db2.gz YQETYGUOFGQQRC-UHFFFAOYSA-N -1 3 276.317 3.463 20 5 CGBDHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)ccc1[N+](=O)[O-] ZINC000070333029 625001066 /nfs/dbraw/zinc/00/10/66/625001066.db2.gz GZUBCHHNJFXEIB-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2c([O-])cccc2F)c1 ZINC001175736991 809524418 /nfs/dbraw/zinc/52/44/18/809524418.db2.gz QIHBMYJNQKPAJX-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc3ccc(F)cc3o2)c1 ZINC001199802823 811598182 /nfs/dbraw/zinc/59/81/82/811598182.db2.gz ZIBANHDTSJXZHN-UHFFFAOYSA-N -1 3 289.222 3.324 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(C(F)(F)F)c2)c1 ZINC001199814038 811599101 /nfs/dbraw/zinc/59/91/01/811599101.db2.gz BVJCCBMKPHOUJY-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM Cc1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828152 811600747 /nfs/dbraw/zinc/60/07/47/811600747.db2.gz BFGPXGAACNWGRK-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2-c2ccccc2)c1 ZINC001199815175 811600977 /nfs/dbraw/zinc/60/09/77/811600977.db2.gz VPZRGXUFYQVQKM-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM Cc1nn(C)c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc12 ZINC001201223258 811801369 /nfs/dbraw/zinc/80/13/69/811801369.db2.gz VDXYKOLMWIQWSE-UHFFFAOYSA-N -1 3 298.302 3.239 20 5 CGBDHM Cc1csc([N-]c2c(F)ccc([N+](=O)[O-])c2F)n1 ZINC001215285313 815502627 /nfs/dbraw/zinc/50/26/27/815502627.db2.gz IQXUAXBIAMHTKA-UHFFFAOYSA-N -1 3 271.248 3.382 20 5 CGBDHM CC(C)(C)c1csc([N-]c2ccc([N+](=O)[O-])nc2)n1 ZINC001203560189 812393638 /nfs/dbraw/zinc/39/36/38/812393638.db2.gz INRJHKFUBQZYJJ-UHFFFAOYSA-N -1 3 278.337 3.487 20 5 CGBDHM COc1ncc(Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC001210139123 814307043 /nfs/dbraw/zinc/30/70/43/814307043.db2.gz WWGSSEBXOQHYFV-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM CC(C)C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225666477 817132722 /nfs/dbraw/zinc/13/27/22/817132722.db2.gz JJGJEFQLPNFFPW-LLVKDONJSA-N -1 3 268.313 3.145 20 5 CGBDHM CC[C@H](C[C@@H](C)CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689738 817694623 /nfs/dbraw/zinc/69/46/23/817694623.db2.gz CRJILIDJYSCBCL-VHSXEESVSA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@H]1C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@@H](C)C1 ZINC001227692166 817695690 /nfs/dbraw/zinc/69/56/90/817695690.db2.gz UVZBDMYIWRMGFI-MYJAWHEDSA-N -1 3 290.323 3.070 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCCC[C@@H]3F)[n-]c2c1 ZINC001227742650 817709667 /nfs/dbraw/zinc/70/96/67/817709667.db2.gz COZDWMOEXBEJFU-CABZTGNLSA-N -1 3 279.271 3.131 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCCC[C@@H]3F)nc2c1 ZINC001227742650 817709670 /nfs/dbraw/zinc/70/96/70/817709670.db2.gz COZDWMOEXBEJFU-CABZTGNLSA-N -1 3 279.271 3.131 20 5 CGBDHM C[C@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227744167 817710549 /nfs/dbraw/zinc/71/05/49/817710549.db2.gz DJNUXECWFHSKCR-HOMQSWHASA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227744167 817710555 /nfs/dbraw/zinc/71/05/55/817710555.db2.gz DJNUXECWFHSKCR-HOMQSWHASA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001228687562 817973116 /nfs/dbraw/zinc/97/31/16/817973116.db2.gz YNMYWDBXHOTKJY-JZYVYDRUSA-N -1 3 280.324 3.207 20 5 CGBDHM CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC001463667469 937679032 /nfs/dbraw/zinc/67/90/32/937679032.db2.gz VIMGYDDOJQUXQR-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM CCc1ccc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000175281506 529610994 /nfs/dbraw/zinc/61/09/94/529610994.db2.gz RZRQHYSXSMTCIV-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000092590129 345846783 /nfs/dbraw/zinc/84/67/83/345846783.db2.gz RVMKWTFYNZPAQI-LLVKDONJSA-N -1 3 266.341 3.167 20 5 CGBDHM C[C@H]1CCCC[C@H]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127753 347386021 /nfs/dbraw/zinc/38/60/21/347386021.db2.gz DLYDYGSTVDOTBV-QWRGUYRKSA-N -1 3 279.340 3.324 20 5 CGBDHM C[C@H]1CCC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596128813 347386143 /nfs/dbraw/zinc/38/61/43/347386143.db2.gz NSYVQMZAVMKEBC-QWRGUYRKSA-N -1 3 279.340 3.324 20 5 CGBDHM C[C@H]1CCCC[C@@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000438990315 238221576 /nfs/dbraw/zinc/22/15/76/238221576.db2.gz IKVHTBJOSUYCHB-FZMZJTMJSA-N -1 3 278.352 3.311 20 5 CGBDHM CCCn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C1CC1 ZINC000450641525 240012971 /nfs/dbraw/zinc/01/29/71/240012971.db2.gz NXDBGRYKHUWQJA-UHFFFAOYSA-N -1 3 287.323 3.217 20 5 CGBDHM O=C(Nc1ccc(Cl)cc1[O-])c1csc([N+](=O)[O-])c1 ZINC000179197397 373844568 /nfs/dbraw/zinc/84/45/68/373844568.db2.gz AUZVKYQLHFBWFL-UHFFFAOYSA-N -1 3 298.707 3.268 20 5 CGBDHM O=[N+]([O-])c1ccc([N-]c2ccn(C3CCCCC3)n2)nc1 ZINC000302807196 373969913 /nfs/dbraw/zinc/96/99/13/373969913.db2.gz GEIQWRQOXBXGPT-UHFFFAOYSA-N -1 3 287.323 3.435 20 5 CGBDHM Cc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1C1CCCC1 ZINC000192552390 375764334 /nfs/dbraw/zinc/76/43/34/375764334.db2.gz BFSXZCNJWBIYRC-UHFFFAOYSA-N -1 3 293.352 3.415 20 5 CGBDHM C[C@@H]1CCC[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339005113 376624815 /nfs/dbraw/zinc/62/48/15/376624815.db2.gz KLLHMYTTYSSSCN-NEPJUHHUSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000349568072 379309673 /nfs/dbraw/zinc/30/96/73/379309673.db2.gz KWICYHPEHIVYSI-SNVBAGLBSA-N -1 3 290.294 3.290 20 5 CGBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(Cl)o1 ZINC000069829978 165056158 /nfs/dbraw/zinc/05/61/58/165056158.db2.gz SDWXVNXPXCWAOT-UHFFFAOYSA-N -1 3 296.666 3.102 20 5 CGBDHM O=C([N-]c1ncsc1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000893278922 619062711 /nfs/dbraw/zinc/06/27/11/619062711.db2.gz AZYXHLVSYIPJKL-UHFFFAOYSA-N -1 3 295.345 3.243 20 5 CGBDHM CO[C@@H](C)c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001162376301 806570832 /nfs/dbraw/zinc/57/08/32/806570832.db2.gz WDOHDOKZGBDMMG-VIFPVBQESA-N -1 3 289.291 3.146 20 5 CGBDHM CCc1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1F ZINC001163265839 806734126 /nfs/dbraw/zinc/73/41/26/806734126.db2.gz ORAMWUDYYFPXSD-UHFFFAOYSA-N -1 3 277.255 3.141 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cccc(O)c3c2)c1 ZINC001199818930 811600513 /nfs/dbraw/zinc/60/05/13/811600513.db2.gz HRPNVZAWJZRWTL-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(C3CC3)s2)c1 ZINC001199818845 811600715 /nfs/dbraw/zinc/60/07/15/811600715.db2.gz FQTHPKIWCIVAPF-UHFFFAOYSA-N -1 3 277.305 3.378 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)c(F)c2)c1 ZINC001199828792 811600937 /nfs/dbraw/zinc/60/09/37/811600937.db2.gz SQLBZMLXCLBPPI-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3cnoc32)c1 ZINC001201229194 811801275 /nfs/dbraw/zinc/80/12/75/811801275.db2.gz GZDYGUCJVOEQBT-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001225666120 817132496 /nfs/dbraw/zinc/13/24/96/817132496.db2.gz GMANHSFVVJIXKF-QMMMGPOBSA-N -1 3 294.694 3.489 20 5 CGBDHM CC[C@@H](C)C[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666090 817133203 /nfs/dbraw/zinc/13/32/03/817133203.db2.gz GDTLRDGFNCCOQF-ZJUUUORDSA-N -1 3 268.313 3.289 20 5 CGBDHM Cc1cccc([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225668182 817134832 /nfs/dbraw/zinc/13/48/32/817134832.db2.gz ZQGZQTNCFZSROP-JTQLQIEISA-N -1 3 274.276 3.144 20 5 CGBDHM CC[C@H]1CCCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667441 817134900 /nfs/dbraw/zinc/13/49/00/817134900.db2.gz STEZYGHUUIRUIG-ONGXEEELSA-N -1 3 266.297 3.043 20 5 CGBDHM O=[N+]([O-])c1cnc(O[C@H]2CCC=CCCC2)c2[n-]cnc21 ZINC001227692355 817696285 /nfs/dbraw/zinc/69/62/85/817696285.db2.gz XRHIMQXGWPGCEP-JTQLQIEISA-N -1 3 288.307 3.134 20 5 CGBDHM CC(C)C[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745458 817711086 /nfs/dbraw/zinc/71/10/86/817711086.db2.gz NLGMMEMTYGXRQH-VIFPVBQESA-N -1 3 263.297 3.285 20 5 CGBDHM CC(C)C[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745458 817711091 /nfs/dbraw/zinc/71/10/91/817711091.db2.gz NLGMMEMTYGXRQH-VIFPVBQESA-N -1 3 263.297 3.285 20 5 CGBDHM C[C@H]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747170 817711874 /nfs/dbraw/zinc/71/18/74/817711874.db2.gz XXBDVYXIOQEUGO-ONGXEEELSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747170 817711881 /nfs/dbraw/zinc/71/18/81/817711881.db2.gz XXBDVYXIOQEUGO-ONGXEEELSA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1ccc([C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC001228688111 817973796 /nfs/dbraw/zinc/97/37/96/817973796.db2.gz DVCKOLSTZOPGQM-NSHDSACASA-N -1 3 288.303 3.452 20 5 CGBDHM C[C@H]1C[C@@H]1c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596087710 347382001 /nfs/dbraw/zinc/38/20/01/347382001.db2.gz HDNXGPAPGOPKKZ-WPRPVWTQSA-N -1 3 289.291 3.024 20 5 CGBDHM Cc1ccccc1C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596092130 347382679 /nfs/dbraw/zinc/38/26/79/347382679.db2.gz KNANZPRVLKNBAI-LLVKDONJSA-N -1 3 287.319 3.047 20 5 CGBDHM Cc1cc([N+](=O)[O-])ccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352020025 219291550 /nfs/dbraw/zinc/29/15/50/219291550.db2.gz FRYOFDWPMKLTTB-GQCTYLIASA-N -1 3 297.314 3.447 20 5 CGBDHM Cc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1[O-] ZINC000352178696 219347391 /nfs/dbraw/zinc/34/73/91/219347391.db2.gz PQMSEXLKMQKAFA-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000129305981 370981440 /nfs/dbraw/zinc/98/14/40/370981440.db2.gz GEQUWGSNDYWBKN-UHFFFAOYSA-N -1 3 289.339 3.284 20 5 CGBDHM Cc1cc([N+](=O)[O-])cnc1Sc1cccc([O-])c1 ZINC000130427510 371033251 /nfs/dbraw/zinc/03/32/51/371033251.db2.gz KBUFVAYKQDHOON-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM O=[N+]([O-])c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000328265210 374362135 /nfs/dbraw/zinc/36/21/35/374362135.db2.gz VVHYKOHLLQBKGX-UHFFFAOYSA-N -1 3 292.722 3.244 20 5 CGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000336617234 375878981 /nfs/dbraw/zinc/87/89/81/375878981.db2.gz QLPSETQJSVRLNI-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM Cc1c(CNCc2cc([O-])cc(F)c2)cccc1[N+](=O)[O-] ZINC000231884391 376574865 /nfs/dbraw/zinc/57/48/65/376574865.db2.gz QBELHDHAEPDKRQ-UHFFFAOYSA-N -1 3 290.294 3.038 20 5 CGBDHM CCS[C@@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339186481 376732372 /nfs/dbraw/zinc/73/23/72/376732372.db2.gz VBGHMBJXTROUGA-TZMCWYRMSA-N -1 3 296.392 3.064 20 5 CGBDHM O=C([N-]c1scnc1C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000342870621 377849586 /nfs/dbraw/zinc/84/95/86/377849586.db2.gz GPUCJWMOONDXIE-UHFFFAOYSA-N -1 3 295.345 3.243 20 5 CGBDHM Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC000128758945 287317889 /nfs/dbraw/zinc/31/78/89/287317889.db2.gz REGAQVUQUADNMK-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ccc(C)c([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001185987284 810306453 /nfs/dbraw/zinc/30/64/53/810306453.db2.gz ISWCVHSMNAMBJT-LLVKDONJSA-N -1 3 287.319 3.485 20 5 CGBDHM COc1ccc([N-]c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC001248456839 804934421 /nfs/dbraw/zinc/93/44/21/804934421.db2.gz BWDXIYHSZTUVAM-UHFFFAOYSA-N -1 3 265.294 3.112 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1ccc([O-])c(F)c1F ZINC001249545744 805172005 /nfs/dbraw/zinc/17/20/05/805172005.db2.gz NOIDYMLAWDJODZ-UHFFFAOYSA-N -1 3 281.218 3.026 20 5 CGBDHM O=[N+]([O-])/C=C/c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001175899008 809566786 /nfs/dbraw/zinc/56/67/86/809566786.db2.gz JBWAOCFBWPBGAP-AATRIKPKSA-N -1 3 291.694 3.432 20 5 CGBDHM CCc1ccc(C)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199800762 811598086 /nfs/dbraw/zinc/59/80/86/811598086.db2.gz GDSLYHAFAGKVQQ-UHFFFAOYSA-N -1 3 273.292 3.310 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C2CCC2)n1 ZINC001199819425 811600498 /nfs/dbraw/zinc/60/04/98/811600498.db2.gz RBRSZUBUMLPWII-UHFFFAOYSA-N -1 3 288.307 3.274 20 5 CGBDHM Cc1c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2nn1C ZINC001201222874 811799017 /nfs/dbraw/zinc/79/90/17/811799017.db2.gz QTYAUDZQRDADHF-UHFFFAOYSA-N -1 3 298.302 3.239 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)cc(CO)c2)c1 ZINC001201224165 811800302 /nfs/dbraw/zinc/80/03/02/811800302.db2.gz JTVFYZIAFIHFRF-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM CN1CCc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201233206 811802511 /nfs/dbraw/zinc/80/25/11/811802511.db2.gz ZBIYKCGUNRARGL-UHFFFAOYSA-N -1 3 285.303 3.036 20 5 CGBDHM O=[N+]([O-])c1cc(F)cc(Nc2cccc(F)c2[O-])c1 ZINC001216483796 815838635 /nfs/dbraw/zinc/83/86/35/815838635.db2.gz MUYCUWGQBAOBBO-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM Cc1ccccc1[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667014 817134497 /nfs/dbraw/zinc/13/44/97/817134497.db2.gz NMMWNGGNNVNPAV-SNVBAGLBSA-N -1 3 274.276 3.144 20 5 CGBDHM CCCCC[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667622 817134803 /nfs/dbraw/zinc/13/48/03/817134803.db2.gz UJXSJBSUNGDACP-SNVBAGLBSA-N -1 3 268.313 3.433 20 5 CGBDHM CC(=O)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226334298 817331399 /nfs/dbraw/zinc/33/13/99/817331399.db2.gz SVLROIPONZBMED-CQSZACIVSA-N -1 3 287.271 3.010 20 5 CGBDHM Cc1cc(O[C@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=S)n1 ZINC001226798734 817468826 /nfs/dbraw/zinc/46/88/26/817468826.db2.gz JUGZXEVVAPHKDS-SECBINFHSA-N -1 3 291.332 3.122 20 5 CGBDHM CCC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227690002 817694388 /nfs/dbraw/zinc/69/43/88/817694388.db2.gz DJFSUSOXAFLBBL-JTQLQIEISA-N -1 3 278.312 3.070 20 5 CGBDHM Cc1cc2[n-]c(O[C@H](C)c3cccnc3)nc2cc1[N+](=O)[O-] ZINC001228670743 817968832 /nfs/dbraw/zinc/96/88/32/817968832.db2.gz BKHGJJGZYKVLMF-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM CCCC(CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684882 817971970 /nfs/dbraw/zinc/97/19/70/817971970.db2.gz ACVMAAKTWJPGAQ-UHFFFAOYSA-N -1 3 268.313 3.351 20 5 CGBDHM CC[C@H]1CCCC[C@@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687215 817973324 /nfs/dbraw/zinc/97/33/24/817973324.db2.gz URVWAIQOUOFQNJ-QWRGUYRKSA-N -1 3 280.324 3.351 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC001228686193 817973784 /nfs/dbraw/zinc/97/37/84/817973784.db2.gz MKUQYYKJBBUCBN-NSHDSACASA-N -1 3 282.340 3.453 20 5 CGBDHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1ccccc1[N+](=O)[O-] ZINC001233677922 818676974 /nfs/dbraw/zinc/67/69/74/818676974.db2.gz QDRVUISVBVGWFT-SNVBAGLBSA-N -1 3 299.282 3.310 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001354412512 937101485 /nfs/dbraw/zinc/10/14/85/937101485.db2.gz UATHVJHGNFWCQA-GFCCVEGCSA-N -1 3 291.351 3.102 20 5 CGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1F ZINC000063446872 345246523 /nfs/dbraw/zinc/24/65/23/345246523.db2.gz XHUXNMKNQOPDOI-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000593732678 347109145 /nfs/dbraw/zinc/10/91/45/347109145.db2.gz QWHVTNYVUWSKLL-UHFFFAOYSA-N -1 3 292.335 3.058 20 5 CGBDHM CC(C)CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596234300 347401538 /nfs/dbraw/zinc/40/15/38/347401538.db2.gz HYNVSFRPTMZEHY-UHFFFAOYSA-N -1 3 293.367 3.348 20 5 CGBDHM CC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596059341 347378235 /nfs/dbraw/zinc/37/82/35/347378235.db2.gz PDPNLBMGOLLSMX-NSHDSACASA-N -1 3 287.319 3.301 20 5 CGBDHM C[C@@H]1CCC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596128811 347386081 /nfs/dbraw/zinc/38/60/81/347386081.db2.gz NSYVQMZAVMKEBC-GHMZBOCLSA-N -1 3 279.340 3.324 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000596127899 347386148 /nfs/dbraw/zinc/38/61/48/347386148.db2.gz GCZQUCRJCACAPA-HNNXBMFYSA-N -1 3 289.335 3.022 20 5 CGBDHM CC1(C)CCC[C@H]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599115759 347717431 /nfs/dbraw/zinc/71/74/31/347717431.db2.gz LNDLRKRBCWLQHI-JTQLQIEISA-N -1 3 279.340 3.324 20 5 CGBDHM O=C([N-]c1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000015077673 368689906 /nfs/dbraw/zinc/68/99/06/368689906.db2.gz DATYXVNCQGLQTK-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295260084 372720012 /nfs/dbraw/zinc/72/00/12/372720012.db2.gz GUHZIPVJBLWJKP-UHFFFAOYSA-N -1 3 296.348 3.103 20 5 CGBDHM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000301334751 373750801 /nfs/dbraw/zinc/75/08/01/373750801.db2.gz BRJKZCSDFPBWIX-UHFFFAOYSA-N -1 3 297.673 3.100 20 5 CGBDHM C[C@@H]1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000339096804 376677148 /nfs/dbraw/zinc/67/71/48/376677148.db2.gz KQDAMUNKBRDUDI-GYSYKLTISA-N -1 3 278.352 3.215 20 5 CGBDHM CCCc1nc(C)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000362913142 382145083 /nfs/dbraw/zinc/14/50/83/382145083.db2.gz LHXICXAGEKPUPU-UHFFFAOYSA-N -1 3 295.320 3.158 20 5 CGBDHM CCc1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000740156215 572435049 /nfs/dbraw/zinc/43/50/49/572435049.db2.gz DRWPKIHYPPJPBM-UHFFFAOYSA-N -1 3 295.682 3.051 20 5 CGBDHM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764215948 627199253 /nfs/dbraw/zinc/19/92/53/627199253.db2.gz OOWQBBMBFBDSPD-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM CSCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695452333 799830011 /nfs/dbraw/zinc/83/00/11/799830011.db2.gz JUAFLENSRYEYTL-UHFFFAOYSA-N -1 3 285.369 3.031 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncc(Cl)cc2F)c1 ZINC001199802294 811599342 /nfs/dbraw/zinc/59/93/42/811599342.db2.gz OCSAFXNLELXDLV-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnccc2Cl)c1 ZINC001199801679 811599415 /nfs/dbraw/zinc/59/94/15/811599415.db2.gz GHAXVRCJCIHGSI-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM COc1ccc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828846 811601204 /nfs/dbraw/zinc/60/12/04/811601204.db2.gz VTJDNEUMWMKRJP-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM COc1ccc([N+](=O)[O-])cc1Nc1cc([O-])c(F)cc1F ZINC001210445854 814459799 /nfs/dbraw/zinc/45/97/99/814459799.db2.gz AORZAYNUEWVUHS-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM CC[C@H](C[C@@H](C)CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666087 817133010 /nfs/dbraw/zinc/13/30/10/817133010.db2.gz GDTLRDGFNCCOQF-VHSXEESVSA-N -1 3 268.313 3.289 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(OC3CCC(F)(F)CC3)[n-]c2c1 ZINC001227746857 817710839 /nfs/dbraw/zinc/71/08/39/817710839.db2.gz WHBUJTHMDLONCV-UHFFFAOYSA-N -1 3 297.261 3.428 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCC(F)(F)CC3)nc2c1 ZINC001227746857 817710843 /nfs/dbraw/zinc/71/08/43/817710843.db2.gz WHBUJTHMDLONCV-UHFFFAOYSA-N -1 3 297.261 3.428 20 5 CGBDHM CS[C@H]1CC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001343878136 936516799 /nfs/dbraw/zinc/51/67/99/936516799.db2.gz QPMBVXJKTPBYMZ-AAEUAGOBSA-N -1 3 296.392 3.016 20 5 CGBDHM C[C@@H](C1CC1)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000092009311 345827857 /nfs/dbraw/zinc/82/78/57/345827857.db2.gz VSJGXAFIFXSQCO-JTQLQIEISA-N -1 3 276.336 3.063 20 5 CGBDHM O=c1[n-]ccc(NCC2(c3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000596064185 347379041 /nfs/dbraw/zinc/37/90/41/347379041.db2.gz COFNYEVFYUNHMU-UHFFFAOYSA-N -1 3 299.330 3.229 20 5 CGBDHM C[C@@H]1C[C@H](c2ccccc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596129170 347386131 /nfs/dbraw/zinc/38/61/31/347386131.db2.gz PJPYPYUULLCRRF-YPMHNXCESA-N -1 3 299.330 3.078 20 5 CGBDHM CC[C@H](C)n1ncc([N-]c2ncc(F)cc2[N+](=O)[O-])c1C ZINC000601153470 347875605 /nfs/dbraw/zinc/87/56/05/347875605.db2.gz YPAOXMDPYSPSNC-QMMMGPOBSA-N -1 3 293.302 3.348 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000352027236 219292915 /nfs/dbraw/zinc/29/29/15/219292915.db2.gz NGKOWIPTZRDEBX-HYXAFXHYSA-N -1 3 291.694 3.223 20 5 CGBDHM O=c1cc(C=Cc2cccc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000352026979 219293437 /nfs/dbraw/zinc/29/34/37/219293437.db2.gz MFZSJQPTZXAHIG-QPJJXVBHSA-N -1 3 283.287 3.138 20 5 CGBDHM Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000003569980 368514192 /nfs/dbraw/zinc/51/41/92/368514192.db2.gz QWUYMONLTMXEJC-SOFGYWHQSA-N -1 3 298.298 3.261 20 5 CGBDHM CC(C)c1ncsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000456447020 374545027 /nfs/dbraw/zinc/54/50/27/374545027.db2.gz AWQOCCZFESZPBL-UHFFFAOYSA-N -1 3 297.361 3.489 20 5 CGBDHM CCC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339017054 376631480 /nfs/dbraw/zinc/63/14/80/376631480.db2.gz HJDYIPJPXDJFHW-LBPRGKRZSA-N -1 3 278.352 3.313 20 5 CGBDHM CC(C)c1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000347970415 378741768 /nfs/dbraw/zinc/74/17/68/378741768.db2.gz RXTORXKXOBTJEJ-UHFFFAOYSA-N -1 3 293.254 3.098 20 5 CGBDHM Cc1ccc([N-]C(=O)c2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000281389926 195221534 /nfs/dbraw/zinc/22/15/34/195221534.db2.gz DFHKVXNPUBCUCX-UHFFFAOYSA-N -1 3 287.275 3.021 20 5 CGBDHM CCc1csc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000729461523 571919534 /nfs/dbraw/zinc/91/95/34/571919534.db2.gz JYBAOJLCGLEMOX-UHFFFAOYSA-N -1 3 295.295 3.005 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000806574305 630568447 /nfs/dbraw/zinc/56/84/47/630568447.db2.gz KUXMLTXLPRTLPH-HWKANZROSA-N -1 3 291.694 3.223 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174478044 809033500 /nfs/dbraw/zinc/03/35/00/809033500.db2.gz JZRNFSNBJNHZSZ-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM COc1ccc(Nc2cc([O-])c(F)cc2F)cc1[N+](=O)[O-] ZINC001176363342 809678225 /nfs/dbraw/zinc/67/82/25/809678225.db2.gz NYULVNPYTMURRV-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC001185639468 810281381 /nfs/dbraw/zinc/28/13/81/810281381.db2.gz JCUCGCMSIUKQJN-SSDOTTSWSA-N -1 3 295.245 3.147 20 5 CGBDHM Cc1ncc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814404 811598233 /nfs/dbraw/zinc/59/82/33/811598233.db2.gz IVIIFERSXTZQDQ-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3occc3c2)c1 ZINC001199828522 811600864 /nfs/dbraw/zinc/60/08/64/811600864.db2.gz LGNSTOFYPVKAQS-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM COc1cc(C)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221652 811798801 /nfs/dbraw/zinc/79/88/01/811798801.db2.gz DZOYIMDVTTVZOO-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM Cc1nc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC001201221906 811798958 /nfs/dbraw/zinc/79/89/58/811798958.db2.gz JWBIZKFMTTZVOP-UHFFFAOYSA-N -1 3 285.259 3.494 20 5 CGBDHM Cc1ccc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224106 811800240 /nfs/dbraw/zinc/80/02/40/811800240.db2.gz IIZRSWLXMVVXRV-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM O=[N+]([O-])c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001206164466 813220597 /nfs/dbraw/zinc/22/05/97/813220597.db2.gz KZHLQTMPXFTGKU-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3CCCC[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001228675414 817969937 /nfs/dbraw/zinc/96/99/37/817969937.db2.gz PVWCLQAPZOMXTG-NOZJJQNGSA-N -1 3 293.298 3.439 20 5 CGBDHM CCC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)C ZINC001228685405 817972519 /nfs/dbraw/zinc/97/25/19/817972519.db2.gz HHOOAKIQCWGERO-JTQLQIEISA-N -1 3 268.313 3.207 20 5 CGBDHM C[C@H]1C[C@H]1c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596087709 347381735 /nfs/dbraw/zinc/38/17/35/347381735.db2.gz HDNXGPAPGOPKKZ-WCBMZHEXSA-N -1 3 289.291 3.024 20 5 CGBDHM CC1(C)CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596136769 347387454 /nfs/dbraw/zinc/38/74/54/347387454.db2.gz MHBNOSLNVLSOAM-UHFFFAOYSA-N -1 3 265.313 3.076 20 5 CGBDHM CCC[C@@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596145698 347389498 /nfs/dbraw/zinc/38/94/98/347389498.db2.gz WXINEHDSZHEJIN-AWEZNQCLSA-N -1 3 279.340 3.102 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC(C)C)c2)n1 ZINC000359083607 233257656 /nfs/dbraw/zinc/25/76/56/233257656.db2.gz PAMVNRQIXGZZAQ-UHFFFAOYSA-N -1 3 289.339 3.203 20 5 CGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)o1 ZINC000229560492 376465395 /nfs/dbraw/zinc/46/53/95/376465395.db2.gz LPDHPQLZQKOSPS-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000339082431 376667337 /nfs/dbraw/zinc/66/73/37/376667337.db2.gz FMIXDCHZUVVPBB-LLVKDONJSA-N -1 3 278.352 3.168 20 5 CGBDHM CC(C)C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339008793 376626165 /nfs/dbraw/zinc/62/61/65/376626165.db2.gz BEBGSJWMZDQINF-GFCCVEGCSA-N -1 3 278.352 3.168 20 5 CGBDHM C[C@@H]1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000339096806 376678226 /nfs/dbraw/zinc/67/82/26/376678226.db2.gz KQDAMUNKBRDUDI-JTNHKYCSSA-N -1 3 278.352 3.215 20 5 CGBDHM CC[C@@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000559155954 377071160 /nfs/dbraw/zinc/07/11/60/377071160.db2.gz TUNDNUJRMODZGE-RISCZKNCSA-N -1 3 278.352 3.359 20 5 CGBDHM COc1ccc([N-]C(=O)c2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000060739900 286955891 /nfs/dbraw/zinc/95/58/91/286955891.db2.gz WLWRKZJFDIVLPM-UHFFFAOYSA-N -1 3 296.666 3.102 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126383098 287263119 /nfs/dbraw/zinc/26/31/19/287263119.db2.gz IEPYIYOXTNCFPD-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255053076 287856166 /nfs/dbraw/zinc/85/61/66/287856166.db2.gz FEMLRIHGPGQLPS-UITAMQMPSA-N -1 3 298.298 3.261 20 5 CGBDHM CC1(C)CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000344962569 278206839 /nfs/dbraw/zinc/20/68/39/278206839.db2.gz IQEZFEPOJCRMJC-AWEZNQCLSA-N -1 3 278.352 3.359 20 5 CGBDHM O=c1[n-]c(-c2ccco2)nc2cc3ccccc3cc21 ZINC000077256608 329922462 /nfs/dbraw/zinc/92/24/62/329922462.db2.gz HEEAQBJCVCBXBA-UHFFFAOYSA-N -1 3 262.268 3.336 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000157792060 618151139 /nfs/dbraw/zinc/15/11/39/618151139.db2.gz UDVFTHXWULQENE-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM CC(C)C(C)(C)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000895539385 619844786 /nfs/dbraw/zinc/84/47/86/619844786.db2.gz WUHMPRDMCWMJPL-UHFFFAOYSA-N -1 3 270.354 3.470 20 5 CGBDHM COC(=O)c1ccc([N-]c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001248597857 804958954 /nfs/dbraw/zinc/95/89/54/804958954.db2.gz BADUAJWFMRCGJT-UHFFFAOYSA-N -1 3 296.666 3.371 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc([O-])c1 ZINC001298810313 809539484 /nfs/dbraw/zinc/53/94/84/809539484.db2.gz XTZGXDUZOJZLFQ-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM COc1ccc(Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001176362906 809677673 /nfs/dbraw/zinc/67/76/73/809677673.db2.gz JZLQUSRNWWIYIT-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccccn3)no2)c1 ZINC001199815250 811600079 /nfs/dbraw/zinc/60/00/79/811600079.db2.gz XINZTQPOBDIFDM-UHFFFAOYSA-N -1 3 298.258 3.094 20 5 CGBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)n1 ZINC001199815087 811600873 /nfs/dbraw/zinc/60/08/73/811600873.db2.gz TVCWCVACXVZDHK-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(OC)c1 ZINC001201224903 811800583 /nfs/dbraw/zinc/80/05/83/811800583.db2.gz WCEUBUBUODGTPU-UHFFFAOYSA-N -1 3 290.275 3.061 20 5 CGBDHM Cc1ccc2c(c1)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])CC2 ZINC001225661170 817131442 /nfs/dbraw/zinc/13/14/42/817131442.db2.gz LMCRQQRUZAPQMG-ZDUSSCGKSA-N -1 3 286.287 3.070 20 5 CGBDHM CC(C)[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225667313 817134256 /nfs/dbraw/zinc/13/42/56/817134256.db2.gz RDGQSJZFQJLVQH-AWEZNQCLSA-N -1 3 288.303 3.472 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001225668136 817134567 /nfs/dbraw/zinc/13/45/67/817134567.db2.gz YXRWVNFUKXEPGP-GRYCIOLGSA-N -1 3 292.335 3.433 20 5 CGBDHM CC[C@@H](C)C[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689734 817694178 /nfs/dbraw/zinc/69/41/78/817694178.db2.gz CRJILIDJYSCBCL-NXEZZACHSA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@@H](COC(C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227741557 817709563 /nfs/dbraw/zinc/70/95/63/817709563.db2.gz OJLLMGAMILYTQC-VIFPVBQESA-N -1 3 293.323 3.054 20 5 CGBDHM C[C@@H](COC(C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227741557 817709566 /nfs/dbraw/zinc/70/95/66/817709566.db2.gz OJLLMGAMILYTQC-VIFPVBQESA-N -1 3 293.323 3.054 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC001228687376 817973056 /nfs/dbraw/zinc/97/30/56/817973056.db2.gz VZHLBVJWQWERLW-UHFFFAOYSA-N -1 3 280.324 3.351 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001228685980 817973386 /nfs/dbraw/zinc/97/33/86/817973386.db2.gz KZVHPLLIZVIQQF-GFCCVEGCSA-N -1 3 286.287 3.070 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001228687191 817973815 /nfs/dbraw/zinc/97/38/15/817973815.db2.gz UFNSJKXRNVPGRC-IQJOONFLSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1[O-] ZINC000136990751 346092794 /nfs/dbraw/zinc/09/27/94/346092794.db2.gz METWMWQMVJPDPW-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1[O-] ZINC000174983509 346246561 /nfs/dbraw/zinc/24/65/61/346246561.db2.gz JIZIOUQBEBRUJR-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596239310 347402998 /nfs/dbraw/zinc/40/29/98/347402998.db2.gz AVLYGNNCQNOKBG-ZDUSSCGKSA-N -1 3 299.330 3.079 20 5 CGBDHM CCCC[C@@H](CCC)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596150094 347390502 /nfs/dbraw/zinc/39/05/02/347390502.db2.gz FNCVYKKUJVPURG-SNVBAGLBSA-N -1 3 267.329 3.466 20 5 CGBDHM CC1CCC(C)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596222736 347400787 /nfs/dbraw/zinc/40/07/87/347400787.db2.gz IXDNLSXDJLBLKE-UHFFFAOYSA-N -1 3 279.340 3.324 20 5 CGBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596542347 347477090 /nfs/dbraw/zinc/47/70/90/347477090.db2.gz QLZGQSXLRUDXAY-SNVBAGLBSA-N -1 3 279.340 3.324 20 5 CGBDHM COc1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000049143006 369389265 /nfs/dbraw/zinc/38/92/65/369389265.db2.gz CXSJXWORCAIMAN-UHFFFAOYSA-N -1 3 296.666 3.102 20 5 CGBDHM Cc1ccnc([N-]c2cnn([C@@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000302343892 373855312 /nfs/dbraw/zinc/85/53/12/373855312.db2.gz AORABRDBBFOJLF-JTQLQIEISA-N -1 3 287.323 3.209 20 5 CGBDHM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000332444524 374573712 /nfs/dbraw/zinc/57/37/12/374573712.db2.gz FMPBHSFNGRZSEI-UHFFFAOYSA-N -1 3 278.352 3.311 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN(C1CCC1)C1CCC1 ZINC000339215315 376738080 /nfs/dbraw/zinc/73/80/80/376738080.db2.gz UQWFAOSMDGLCDV-UHFFFAOYSA-N -1 3 276.336 3.207 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255725310 377776736 /nfs/dbraw/zinc/77/67/36/377776736.db2.gz SEMXMTVQLSZLKR-KTKRTIGZSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255303763 377747717 /nfs/dbraw/zinc/74/77/17/377747717.db2.gz KXRJSCOSGCNPBN-YFHOEESVSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000314596834 281015647 /nfs/dbraw/zinc/01/56/47/281015647.db2.gz CDEQYJHGIANWAJ-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM CC[C@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000559155952 289537957 /nfs/dbraw/zinc/53/79/57/289537957.db2.gz TUNDNUJRMODZGE-FZMZJTMJSA-N -1 3 278.352 3.359 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1cccc([O-])c1Cl ZINC001249546528 805172109 /nfs/dbraw/zinc/17/21/09/805172109.db2.gz YTHNITHZIQFWAZ-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM COc1cnc(Cl)c([N-]c2ccc(C)cc2[N+](=O)[O-])n1 ZINC001214169595 815375659 /nfs/dbraw/zinc/37/56/59/815375659.db2.gz VBPISLBSLJZGJN-UHFFFAOYSA-N -1 3 294.698 3.099 20 5 CGBDHM O=c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2[nH]1 ZINC001199814708 811598989 /nfs/dbraw/zinc/59/89/89/811598989.db2.gz NNNCJSFZWANDLT-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001199828445 811600616 /nfs/dbraw/zinc/60/06/16/811600616.db2.gz ICUYZUZJFPSNPH-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1c(F)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828467 811601394 /nfs/dbraw/zinc/60/13/94/811601394.db2.gz JGBZCXMCLJCTPH-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2n1 ZINC001210392173 814440731 /nfs/dbraw/zinc/44/07/31/814440731.db2.gz CSQNFUQZHNKRPA-UHFFFAOYSA-N -1 3 295.298 3.323 20 5 CGBDHM Cc1ccc([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cc1 ZINC001225665482 817132405 /nfs/dbraw/zinc/13/24/05/817132405.db2.gz AQCOUXWFSNBRKH-SNVBAGLBSA-N -1 3 274.276 3.144 20 5 CGBDHM CCCCC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668116 817134174 /nfs/dbraw/zinc/13/41/74/817134174.db2.gz YUQRCPYUZQEMBS-SECBINFHSA-N -1 3 254.286 3.043 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001225668140 817134273 /nfs/dbraw/zinc/13/42/73/817134273.db2.gz YXRWVNFUKXEPGP-QJPTWQEYSA-N -1 3 292.335 3.433 20 5 CGBDHM Cc1cc2[n-]c(OC(C3CC3)C3CC3)nc2cc1[N+](=O)[O-] ZINC001228672882 817967875 /nfs/dbraw/zinc/96/78/75/817967875.db2.gz CGPWDFPAXWOWCN-UHFFFAOYSA-N -1 3 287.319 3.347 20 5 CGBDHM CC[C@H]1CCCC[C@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687216 817973416 /nfs/dbraw/zinc/97/34/16/817973416.db2.gz URVWAIQOUOFQNJ-WDEREUQCSA-N -1 3 280.324 3.351 20 5 CGBDHM C/C=C\C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001307974028 933028397 /nfs/dbraw/zinc/02/83/97/933028397.db2.gz MAVGRBKRFMYOOT-ZRMMWKCHSA-N -1 3 290.363 3.479 20 5 CGBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(F)s1 ZINC001518872020 938017103 /nfs/dbraw/zinc/01/71/03/938017103.db2.gz FOJZJCDWPBAHEG-UHFFFAOYSA-N -1 3 298.270 3.495 20 5 CGBDHM O=C([N-]c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC001528645122 938068600 /nfs/dbraw/zinc/06/86/00/938068600.db2.gz JAXKWQJDLVGDFQ-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596138177 347388069 /nfs/dbraw/zinc/38/80/69/347388069.db2.gz QPQRTIGPNIDZJI-GMTAPVOTSA-N -1 3 277.324 3.076 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596138176 347388149 /nfs/dbraw/zinc/38/81/49/347388149.db2.gz QPQRTIGPNIDZJI-GARJFASQSA-N -1 3 277.324 3.076 20 5 CGBDHM Cn1nc([N-]c2c(F)cccc2[N+](=O)[O-])cc1C1CC1 ZINC000290735548 372046127 /nfs/dbraw/zinc/04/61/27/372046127.db2.gz BJCDVVJLFKAURA-UHFFFAOYSA-N -1 3 276.271 3.088 20 5 CGBDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556866691 376891196 /nfs/dbraw/zinc/89/11/96/376891196.db2.gz HQBHQIPDHACPHT-XUJVJEKNSA-N -1 3 290.363 3.453 20 5 CGBDHM C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556866689 376892041 /nfs/dbraw/zinc/89/20/41/376892041.db2.gz HQBHQIPDHACPHT-LALPHHSUSA-N -1 3 290.363 3.453 20 5 CGBDHM Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1[N+](=O)[O-] ZINC000314003973 249094139 /nfs/dbraw/zinc/09/41/39/249094139.db2.gz DVCXIJLANAKYHM-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM COc1ccc([N-]C(=O)c2sccc2F)c([N+](=O)[O-])c1 ZINC000347593831 218284936 /nfs/dbraw/zinc/28/49/36/218284936.db2.gz FULTXQCNGDIJIM-UHFFFAOYSA-N -1 3 296.279 3.056 20 5 CGBDHM CCc1ccc([O-])c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000074826487 287018618 /nfs/dbraw/zinc/01/86/18/287018618.db2.gz GZKPALNVRQPWOZ-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM O=C([N-]c1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000066279661 165034727 /nfs/dbraw/zinc/03/47/27/165034727.db2.gz DCAHTPFHPMJCLS-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000179606265 260057098 /nfs/dbraw/zinc/05/70/98/260057098.db2.gz WUFPTOAKWXPGEV-VQHVLOKHSA-N -1 3 298.298 3.261 20 5 CGBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N-][C@@H]1CCCC1(F)F ZINC000804688848 617799907 /nfs/dbraw/zinc/79/99/07/617799907.db2.gz SWAYIWJXTGUZFV-SECBINFHSA-N -1 3 287.222 3.103 20 5 CGBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn(C2CCC2)c1 ZINC000897102783 620144207 /nfs/dbraw/zinc/14/42/07/620144207.db2.gz MITGGNNAQKHEKO-UHFFFAOYSA-N -1 3 293.714 3.308 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[N-]C(=O)CC(C)(C)C ZINC000842060688 620564841 /nfs/dbraw/zinc/56/48/41/620564841.db2.gz AQAKTMNBBDOOLP-NSHDSACASA-N -1 3 294.351 3.448 20 5 CGBDHM O=c1[n-]ccc(NCC2CCCCCCC2)c1[N+](=O)[O-] ZINC000853215139 637782153 /nfs/dbraw/zinc/78/21/53/637782153.db2.gz OGJACNMFZWPXIG-UHFFFAOYSA-N -1 3 279.340 3.468 20 5 CGBDHM O=C([N-]c1ccc(F)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001264218221 808050978 /nfs/dbraw/zinc/05/09/78/808050978.db2.gz QJGQXEOCJIPUAD-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)cc2O)c1 ZINC001201222824 811799593 /nfs/dbraw/zinc/79/95/93/811799593.db2.gz PSZUWIDCQIREDA-UHFFFAOYSA-N -1 3 280.667 3.403 20 5 CGBDHM CCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201224699 811801659 /nfs/dbraw/zinc/80/16/59/811801659.db2.gz QEIOJAVFWQQPLF-UHFFFAOYSA-N -1 3 274.276 3.443 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001203560136 812392243 /nfs/dbraw/zinc/39/22/43/812392243.db2.gz HGSCHPOQWQJMLG-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM O=[N+]([O-])c1ccccc1[N-]c1c(F)c(F)nc(F)c1F ZINC001206139916 813210606 /nfs/dbraw/zinc/21/06/06/813210606.db2.gz BFAMRCBWIPTPRZ-UHFFFAOYSA-N -1 3 287.172 3.290 20 5 CGBDHM O=[N+]([O-])c1cc(Nc2cccc(F)c2[O-])ccc1F ZINC001211193360 814845481 /nfs/dbraw/zinc/84/54/81/814845481.db2.gz RWMZWKKFJHIVHO-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H](c1ccccc1)C1CC1 ZINC001225662285 817131668 /nfs/dbraw/zinc/13/16/68/817131668.db2.gz SHTTYBOUTNMQDH-CQSZACIVSA-N -1 3 286.287 3.226 20 5 CGBDHM CCCC(=O)[C@H](CCC)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333507 817331288 /nfs/dbraw/zinc/33/12/88/817331288.db2.gz LBSZPYVJBBUDFP-ZDUSSCGKSA-N -1 3 281.308 3.217 20 5 CGBDHM CC(C)CC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691578 817695834 /nfs/dbraw/zinc/69/58/34/817695834.db2.gz PQALBMSMKYTSJX-SECBINFHSA-N -1 3 278.312 3.070 20 5 CGBDHM C[C@H](COC(C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227741555 817708988 /nfs/dbraw/zinc/70/89/88/817708988.db2.gz OJLLMGAMILYTQC-SECBINFHSA-N -1 3 293.323 3.054 20 5 CGBDHM C[C@H](COC(C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227741555 817708993 /nfs/dbraw/zinc/70/89/93/817708993.db2.gz OJLLMGAMILYTQC-SECBINFHSA-N -1 3 293.323 3.054 20 5 CGBDHM Cc1cccc([C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c1 ZINC001228687841 817973540 /nfs/dbraw/zinc/97/35/40/817973540.db2.gz CDDASDMEIVHITB-NSHDSACASA-N -1 3 288.303 3.452 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001228689964 817973708 /nfs/dbraw/zinc/97/37/08/817973708.db2.gz YCPRNPNXNMWXSH-QRJZZWFUSA-N -1 3 280.324 3.207 20 5 CGBDHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001234448395 818857602 /nfs/dbraw/zinc/85/76/02/818857602.db2.gz VVKIQOWXBSLJLB-VIFPVBQESA-N -1 3 299.286 3.317 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000092485384 345841832 /nfs/dbraw/zinc/84/18/32/345841832.db2.gz QHAOBGYNYOFAKL-RISCZKNCSA-N -1 3 276.336 3.065 20 5 CGBDHM O=C([N-]c1c(F)cccc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000334414764 374730581 /nfs/dbraw/zinc/73/05/81/374730581.db2.gz MOQRQZZXWUQGTJ-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CNC1(C2CCC2)CCC1 ZINC000459755704 374818406 /nfs/dbraw/zinc/81/84/06/374818406.db2.gz SNEIZJGIHFBFQT-UHFFFAOYSA-N -1 3 276.336 3.113 20 5 CGBDHM C[C@H]1CCC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338913603 376572267 /nfs/dbraw/zinc/57/22/67/376572267.db2.gz WOJQQTGRKACXJF-AAEUAGOBSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@@H]1CCC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338913604 376572513 /nfs/dbraw/zinc/57/25/13/376572513.db2.gz WOJQQTGRKACXJF-DGCLKSJQSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@@H]1C[C@H](C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339051070 376646723 /nfs/dbraw/zinc/64/67/23/376646723.db2.gz SVBQCWPWWKWKMU-VXGBXAGGSA-N -1 3 278.352 3.168 20 5 CGBDHM CCS[C@@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339186476 376731422 /nfs/dbraw/zinc/73/14/22/376731422.db2.gz VBGHMBJXTROUGA-GXTWGEPZSA-N -1 3 296.392 3.064 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281500642 195265861 /nfs/dbraw/zinc/26/58/61/195265861.db2.gz RLMSIWWCTGSROR-UHFFFAOYSA-N -1 3 287.275 3.021 20 5 CGBDHM C[C@@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1 ZINC000413252409 533377348 /nfs/dbraw/zinc/37/73/48/533377348.db2.gz SDHVKRRMISXTOF-QMMMGPOBSA-N -1 3 291.286 3.040 20 5 CGBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000121727277 287202601 /nfs/dbraw/zinc/20/26/01/287202601.db2.gz GHEYJIRQWZZZRR-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=C(Nc1ccc([O-])cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020304757 171140916 /nfs/dbraw/zinc/14/09/16/171140916.db2.gz UKQSBUXBVKXDNG-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM C[C@@H]1CCC[C@@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338984058 287391656 /nfs/dbraw/zinc/39/16/56/287391656.db2.gz PTPDWDYOHIISAF-GHMZBOCLSA-N -1 3 264.325 3.063 20 5 CGBDHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1[N+](=O)[O-] ZINC000314099263 280286061 /nfs/dbraw/zinc/28/60/61/280286061.db2.gz ZCDSXAXEDIZODY-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM CC(C)c1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)on1 ZINC000347965236 528040030 /nfs/dbraw/zinc/04/00/30/528040030.db2.gz PQLFLTLSEZDRQD-UHFFFAOYSA-N -1 3 293.254 3.098 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000759685088 626914653 /nfs/dbraw/zinc/91/46/53/626914653.db2.gz SDSFLEZPHZVFQI-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1ccc(Cl)cc1[O-] ZINC001249548101 805172957 /nfs/dbraw/zinc/17/29/57/805172957.db2.gz HOXYLUTZALOJHX-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)cc2F)c1 ZINC001199828871 811599872 /nfs/dbraw/zinc/59/98/72/811599872.db2.gz WWWVPBJNBDISMN-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)n1 ZINC001199815228 811600253 /nfs/dbraw/zinc/60/02/53/811600253.db2.gz WZASLHNDJQURKE-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2snc3cccnc32)c1 ZINC001199828541 811600850 /nfs/dbraw/zinc/60/08/50/811600850.db2.gz MGBQJZFNMGCYSV-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM Cc1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC001201224911 811801003 /nfs/dbraw/zinc/80/10/03/811801003.db2.gz WGIOWUPXTSTRAF-UHFFFAOYSA-N -1 3 278.239 3.197 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2[O-])cn1 ZINC001203574680 812396791 /nfs/dbraw/zinc/39/67/91/812396791.db2.gz GCSIATHZAVWZDC-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(F)c1 ZINC001211289235 814871731 /nfs/dbraw/zinc/87/17/31/814871731.db2.gz LHJLARXPAGSNFL-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM CC1(C)CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227689681 817694266 /nfs/dbraw/zinc/69/42/66/817694266.db2.gz BQEYSKYWOJROIE-SECBINFHSA-N -1 3 290.323 3.214 20 5 CGBDHM C[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001227980398 817771373 /nfs/dbraw/zinc/77/13/73/817771373.db2.gz MWASQRZLSIJUAD-QMMMGPOBSA-N -1 3 294.694 3.489 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3CCCC[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001228675418 817969867 /nfs/dbraw/zinc/96/98/67/817969867.db2.gz PVWCLQAPZOMXTG-TVQRCGJNSA-N -1 3 293.298 3.439 20 5 CGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(F)s1 ZINC001524172366 938042994 /nfs/dbraw/zinc/04/29/94/938042994.db2.gz PFGKXJYIHVWOKU-UHFFFAOYSA-N -1 3 284.243 3.187 20 5 CGBDHM CCCC[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202209 215011068 /nfs/dbraw/zinc/01/10/68/215011068.db2.gz BALCOAJDRDQKDS-NSHDSACASA-N -1 3 266.341 3.311 20 5 CGBDHM O=c1[n-]ccc(Nc2ccc3c(c2)CCCC3)c1[N+](=O)[O-] ZINC000596248622 347404156 /nfs/dbraw/zinc/40/41/56/347404156.db2.gz JUCIANLDGZHJGW-UHFFFAOYSA-N -1 3 285.303 3.318 20 5 CGBDHM O=c1[n-]ccc(N[C@H]2C[C@@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000596142753 347388424 /nfs/dbraw/zinc/38/84/24/347388424.db2.gz VVWMRYSBAVZMLG-PWSUYJOCSA-N -1 3 277.324 3.076 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000596142751 347388564 /nfs/dbraw/zinc/38/85/64/347388564.db2.gz VVWMRYSBAVZMLG-CMPLNLGQSA-N -1 3 277.324 3.076 20 5 CGBDHM C[C@H]1CC(C)(C)CC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151560 347390264 /nfs/dbraw/zinc/39/02/64/347390264.db2.gz SBXMXURIAIKZRY-VHSXEESVSA-N -1 3 279.340 3.322 20 5 CGBDHM O=c1[n-]ccc(NCCC2=CCCCCC2)c1[N+](=O)[O-] ZINC000596193650 347397074 /nfs/dbraw/zinc/39/70/74/347397074.db2.gz BYTQNHQJBQRPSN-UHFFFAOYSA-N -1 3 277.324 3.388 20 5 CGBDHM CCS[C@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339186478 376731732 /nfs/dbraw/zinc/73/17/32/376731732.db2.gz VBGHMBJXTROUGA-JSGCOSHPSA-N -1 3 296.392 3.064 20 5 CGBDHM CSc1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000348016258 378755561 /nfs/dbraw/zinc/75/55/61/378755561.db2.gz QKMGBGPKMHLTRS-UHFFFAOYSA-N -1 3 296.279 3.301 20 5 CGBDHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000349568071 379309658 /nfs/dbraw/zinc/30/96/58/379309658.db2.gz KWICYHPEHIVYSI-JTQLQIEISA-N -1 3 290.294 3.290 20 5 CGBDHM Cc1cccc(C(=O)Nc2ccc([O-])cc2F)c1[N+](=O)[O-] ZINC000070333113 625001328 /nfs/dbraw/zinc/00/13/28/625001328.db2.gz PBQHBSWLPSGKLJ-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1F ZINC000019163096 641035043 /nfs/dbraw/zinc/03/50/43/641035043.db2.gz KCPKHEMFBLZBPO-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM COc1cc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc2cc1C ZINC001251385998 805889907 /nfs/dbraw/zinc/88/99/07/805889907.db2.gz PAQYJJBZRZXKMH-UHFFFAOYSA-N -1 3 299.286 3.161 20 5 CGBDHM O=c1[n-]ccc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC001184589858 810211011 /nfs/dbraw/zinc/21/10/11/810211011.db2.gz OELHIIIOZPFBEY-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM Cc1cc(C)c(O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222318 811799412 /nfs/dbraw/zinc/79/94/12/811799412.db2.gz LPXIDCIIJVAJLY-UHFFFAOYSA-N -1 3 274.276 3.366 20 5 CGBDHM Cc1cccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222749 811799481 /nfs/dbraw/zinc/79/94/81/811799481.db2.gz QKCYPEVVSNEECU-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM COCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224281 811800933 /nfs/dbraw/zinc/80/09/33/811800933.db2.gz KPQBHNGUYKARSG-UHFFFAOYSA-N -1 3 274.276 3.190 20 5 CGBDHM CCOc1cc([N-]c2c(F)ccc([N+](=O)[O-])c2F)no1 ZINC001215289230 815503176 /nfs/dbraw/zinc/50/31/76/815503176.db2.gz HCNAVMFKSVOWJK-UHFFFAOYSA-N -1 3 285.206 3.003 20 5 CGBDHM Nc1ccc(Nc2cccc([O-])c2Cl)cc1[N+](=O)[O-] ZINC001209935383 814204363 /nfs/dbraw/zinc/20/43/63/814204363.db2.gz MZUWLJWVFJQZDY-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM CC/C=C(\C)[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664092 817131163 /nfs/dbraw/zinc/13/11/63/817131163.db2.gz JFQMLRCZLYYPCA-OALRPVAKSA-N -1 3 266.297 3.209 20 5 CGBDHM CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225661572 817131290 /nfs/dbraw/zinc/13/12/90/817131290.db2.gz MPXXMPSZPKMYHR-GFCCVEGCSA-N -1 3 274.276 3.226 20 5 CGBDHM CC[C@@H](C)C[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666084 817132570 /nfs/dbraw/zinc/13/25/70/817132570.db2.gz GDTLRDGFNCCOQF-NXEZZACHSA-N -1 3 268.313 3.289 20 5 CGBDHM CCCC/C=C/[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666135 817132976 /nfs/dbraw/zinc/13/29/76/817132976.db2.gz GPSCOVMLXUUYCU-FGEFZZPRSA-N -1 3 266.297 3.209 20 5 CGBDHM Cc1cc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=S)n1 ZINC001226797970 817468720 /nfs/dbraw/zinc/46/87/20/817468720.db2.gz FLMMDLITRFBUII-VIFPVBQESA-N -1 3 291.332 3.122 20 5 CGBDHM Cc1cc(O[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]c(=S)n1 ZINC001226797968 817468903 /nfs/dbraw/zinc/46/89/03/817468903.db2.gz FLMMDLITRFBUII-SECBINFHSA-N -1 3 291.332 3.122 20 5 CGBDHM CC[C@H](C)CC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689704 817694722 /nfs/dbraw/zinc/69/47/22/817694722.db2.gz BZMPUIXCACFJCW-VHSXEESVSA-N -1 3 292.339 3.460 20 5 CGBDHM Cc1[n-]c(=O)cc(OC(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001228687279 817973577 /nfs/dbraw/zinc/97/35/77/817973577.db2.gz VJJJHTDMEVPNHR-UHFFFAOYSA-N -1 3 268.313 3.063 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001228687190 817973913 /nfs/dbraw/zinc/97/39/13/817973913.db2.gz UFNSJKXRNVPGRC-FXPVBKGRSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccc([N+](=O)[O-])c2)n1 ZINC000337912907 214310920 /nfs/dbraw/zinc/31/09/20/214310920.db2.gz LCOGOSZEGXDBTD-VIFPVBQESA-N -1 3 291.332 3.252 20 5 CGBDHM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C ZINC000413258324 529443948 /nfs/dbraw/zinc/44/39/48/529443948.db2.gz GMWOBKRKWCJSHB-MRVPVSSYSA-N -1 3 293.302 3.348 20 5 CGBDHM Cc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1[O-] ZINC000174964099 346246389 /nfs/dbraw/zinc/24/63/89/346246389.db2.gz IGVRZTJXEDMNTF-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM C[C@H]1c2ccccc2C[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000594971176 347246528 /nfs/dbraw/zinc/24/65/28/347246528.db2.gz XSQFSSTZGYSMTA-MEDUHNTESA-N -1 3 298.342 3.118 20 5 CGBDHM C[C@@H]1C[C@H]1c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596087706 347381879 /nfs/dbraw/zinc/38/18/79/347381879.db2.gz HDNXGPAPGOPKKZ-PSASIEDQSA-N -1 3 289.291 3.024 20 5 CGBDHM C[C@H]1C[C@H](c2ccccc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596129167 347386051 /nfs/dbraw/zinc/38/60/51/347386051.db2.gz PJPYPYUULLCRRF-AAEUAGOBSA-N -1 3 299.330 3.078 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CCCc3sccc32)c1[N+](=O)[O-] ZINC000596195182 347397183 /nfs/dbraw/zinc/39/71/83/347397183.db2.gz KHUURIWAGXLSDW-SECBINFHSA-N -1 3 291.332 3.246 20 5 CGBDHM C[C@@H]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1C ZINC000596219150 347400483 /nfs/dbraw/zinc/40/04/83/347400483.db2.gz NQOFFUKXQZHDBN-GMTAPVOTSA-N -1 3 279.340 3.180 20 5 CGBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156721930 371993287 /nfs/dbraw/zinc/99/32/87/371993287.db2.gz NLHCOERZMMDWCH-UHFFFAOYSA-N -1 3 287.275 3.021 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CCCC2)CC1 ZINC000338999791 376620945 /nfs/dbraw/zinc/62/09/45/376620945.db2.gz IIJMHHBVKFNCHQ-UHFFFAOYSA-N -1 3 290.363 3.457 20 5 CGBDHM CC1(C)CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339110004 376685179 /nfs/dbraw/zinc/68/51/79/376685179.db2.gz DOLUQRPQHOKRSI-UHFFFAOYSA-N -1 3 278.352 3.313 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000340118951 376923966 /nfs/dbraw/zinc/92/39/66/376923966.db2.gz VWOUTWGWPKRVAO-UHFFFAOYSA-N -1 3 297.270 3.034 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC([O-])=NOC1CCCC1 ZINC000274259087 378798923 /nfs/dbraw/zinc/79/89/23/378798923.db2.gz JTWZHHXKXYXPBU-UHFFFAOYSA-N -1 3 293.323 3.207 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[N-]OC1CCCC1 ZINC000274259087 378798927 /nfs/dbraw/zinc/79/89/27/378798927.db2.gz JTWZHHXKXYXPBU-UHFFFAOYSA-N -1 3 293.323 3.207 20 5 CGBDHM O=[N+]([O-])c1cccc(F)c1[N-]c1cc2n(n1)CCCC2 ZINC000286405588 380208838 /nfs/dbraw/zinc/20/88/38/380208838.db2.gz NPNGJMDLZSCXBJ-UHFFFAOYSA-N -1 3 276.271 3.010 20 5 CGBDHM CC(C)c1nn(C)cc1[N-]c1ncc([N+](=O)[O-])cc1Cl ZINC000281039901 195080474 /nfs/dbraw/zinc/08/04/74/195080474.db2.gz REVJRBPRNTZRDH-UHFFFAOYSA-N -1 3 295.730 3.244 20 5 CGBDHM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000020432774 262249739 /nfs/dbraw/zinc/24/97/39/262249739.db2.gz JEUMZXFTGJALRG-UHFFFAOYSA-N -1 3 283.243 3.017 20 5 CGBDHM CSc1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)o1 ZINC000352145322 274188301 /nfs/dbraw/zinc/18/83/01/274188301.db2.gz LEOPHNBOPINFFM-UHFFFAOYSA-N -1 3 296.279 3.301 20 5 CGBDHM CSC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000695482830 799828960 /nfs/dbraw/zinc/82/89/60/799828960.db2.gz NEZQNMYIMSZHRB-UHFFFAOYSA-N -1 3 297.380 3.173 20 5 CGBDHM COC(=O)c1ccsc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214165206 815374791 /nfs/dbraw/zinc/37/47/91/815374791.db2.gz OBHHGOXDAWGNPK-UHFFFAOYSA-N -1 3 292.316 3.495 20 5 CGBDHM Cc1csc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199814946 811598673 /nfs/dbraw/zinc/59/86/73/811598673.db2.gz QKVDSDVIOWMITC-UHFFFAOYSA-N -1 3 250.279 3.414 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc(Cl)c(F)c2)c1 ZINC001199818549 811600061 /nfs/dbraw/zinc/60/00/61/811600061.db2.gz DEAIHPSXKHENHK-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM COc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828840 811600475 /nfs/dbraw/zinc/60/04/75/811600475.db2.gz VJEINVDJUBPHRQ-UHFFFAOYSA-N -1 3 260.249 3.053 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C3CC3)nc2)c1 ZINC001199818567 811601297 /nfs/dbraw/zinc/60/12/97/811601297.db2.gz DSQXUAMHKUZFMP-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(c2)[C@H](O)CC3)c1 ZINC001201231467 811800127 /nfs/dbraw/zinc/80/01/27/811800127.db2.gz JDYXVTWATVSMRR-OAHLLOKOSA-N -1 3 286.287 3.024 20 5 CGBDHM Nc1cccc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223248 811801195 /nfs/dbraw/zinc/80/11/95/811801195.db2.gz UXYPGTOFWNRCCL-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM COCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223721 811801623 /nfs/dbraw/zinc/80/16/23/811801623.db2.gz FKQADDGDYIRCHK-UHFFFAOYSA-N -1 3 274.276 3.190 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1[O-] ZINC001211289245 814871594 /nfs/dbraw/zinc/87/15/94/814871594.db2.gz LPEQUEXECLULLM-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM CCC1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225666499 817132268 /nfs/dbraw/zinc/13/22/68/817132268.db2.gz JRLJOLFMOJRODH-UHFFFAOYSA-N -1 3 266.297 3.043 20 5 CGBDHM CCC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])[C@@H](C)CC ZINC001225667058 817134306 /nfs/dbraw/zinc/13/43/06/817134306.db2.gz OUKKAPWFUCEZLR-GXSJLCMTSA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@@H]1CCCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667439 817134354 /nfs/dbraw/zinc/13/43/54/817134354.db2.gz STEZYGHUUIRUIG-KOLCDFICSA-N -1 3 266.297 3.043 20 5 CGBDHM Cc1ccccc1[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667013 817134864 /nfs/dbraw/zinc/13/48/64/817134864.db2.gz NMMWNGGNNVNPAV-JTQLQIEISA-N -1 3 274.276 3.144 20 5 CGBDHM C[C@@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@@H]1C ZINC001227691112 817694353 /nfs/dbraw/zinc/69/43/53/817694353.db2.gz MPIWVONVKVNHRK-KXUCPTDWSA-N -1 3 290.323 3.070 20 5 CGBDHM CC[C@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692882 817695997 /nfs/dbraw/zinc/69/59/97/817695997.db2.gz GYSXNKMPLCNECD-GXSJLCMTSA-N -1 3 290.323 3.214 20 5 CGBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCC=CCCC2)c2[n-]cnc21 ZINC001227692356 817696098 /nfs/dbraw/zinc/69/60/98/817696098.db2.gz XRHIMQXGWPGCEP-SNVBAGLBSA-N -1 3 288.307 3.134 20 5 CGBDHM C[C@@H]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743781 817709766 /nfs/dbraw/zinc/70/97/66/817709766.db2.gz XXBDVYXIOQEUGO-KOLCDFICSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743781 817709769 /nfs/dbraw/zinc/70/97/69/817709769.db2.gz XXBDVYXIOQEUGO-KOLCDFICSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccn1 ZINC001227746211 817710284 /nfs/dbraw/zinc/71/02/84/817710284.db2.gz QRXNDOQQCPEBGH-SECBINFHSA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccn1 ZINC001227746211 817710292 /nfs/dbraw/zinc/71/02/92/817710292.db2.gz QRXNDOQQCPEBGH-SECBINFHSA-N -1 3 284.275 3.006 20 5 CGBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCCC3)nc2cc1Cl ZINC001233499393 818628849 /nfs/dbraw/zinc/62/88/49/818628849.db2.gz OBULXHSKAAYBSJ-UHFFFAOYSA-N -1 3 281.699 3.446 20 5 CGBDHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cccc([N+](=O)[O-])c1 ZINC001233680869 818679162 /nfs/dbraw/zinc/67/91/62/818679162.db2.gz OVFLLODNYNCOJL-JTQLQIEISA-N -1 3 299.282 3.310 20 5 CGBDHM CCOc1ccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001306918505 932895572 /nfs/dbraw/zinc/89/55/72/932895572.db2.gz AZVWSDRWHVHLJX-UHFFFAOYSA-N -1 3 292.316 3.245 20 5 CGBDHM CS[C@H]1CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092063972 345829241 /nfs/dbraw/zinc/82/92/41/345829241.db2.gz AIVKEPAGTGGYPF-ZDUSSCGKSA-N -1 3 296.392 3.018 20 5 CGBDHM O=c1[n-]ccc(NC[C@H](c2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000596242796 347403506 /nfs/dbraw/zinc/40/35/06/347403506.db2.gz YWQAOBIMRMWKSM-CYBMUJFWSA-N -1 3 299.330 3.301 20 5 CGBDHM O=c1[n-]ccc(NCCCC2CCCCC2)c1[N+](=O)[O-] ZINC000596075101 347379670 /nfs/dbraw/zinc/37/96/70/347379670.db2.gz WNOFYPWGIAVKKI-UHFFFAOYSA-N -1 3 279.340 3.468 20 5 CGBDHM CC(C)[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596107805 347384058 /nfs/dbraw/zinc/38/40/58/347384058.db2.gz PHBRDLXKVWEZGS-GHMZBOCLSA-N -1 3 279.340 3.322 20 5 CGBDHM C[C@@H]1CC(C)(C)CC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151558 347390283 /nfs/dbraw/zinc/39/02/83/347390283.db2.gz SBXMXURIAIKZRY-NXEZZACHSA-N -1 3 279.340 3.322 20 5 CGBDHM C[C@H]1CC(C)(C)CC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151559 347390554 /nfs/dbraw/zinc/39/05/54/347390554.db2.gz SBXMXURIAIKZRY-UWVGGRQHSA-N -1 3 279.340 3.322 20 5 CGBDHM CC(C)C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596206261 347398436 /nfs/dbraw/zinc/39/84/36/347398436.db2.gz RCENGCZSJJORCR-UHFFFAOYSA-N -1 3 267.329 3.036 20 5 CGBDHM C[C@H](C1CC1)n1cc([N-]c2ncc(F)cc2[N+](=O)[O-])cn1 ZINC000601146967 347875195 /nfs/dbraw/zinc/87/51/95/347875195.db2.gz FTWPCZGDCPWJRB-MRVPVSSYSA-N -1 3 291.286 3.040 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000601251902 347886168 /nfs/dbraw/zinc/88/61/68/347886168.db2.gz MGVPDZUVGBARBE-GFCCVEGCSA-N -1 3 291.351 3.102 20 5 CGBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000154170232 371824587 /nfs/dbraw/zinc/82/45/87/371824587.db2.gz VAJSHUCOUMAXGJ-UHFFFAOYSA-N -1 3 287.275 3.021 20 5 CGBDHM CC[C@@H]1CC[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456521 374468244 /nfs/dbraw/zinc/46/82/44/374468244.db2.gz PNDLXFJCFGISTR-CMPLNLGQSA-N -1 3 264.325 3.063 20 5 CGBDHM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000339715291 376822200 /nfs/dbraw/zinc/82/22/00/376822200.db2.gz GHLZWPCAOARVPL-ZFWWWQNUSA-N -1 3 290.363 3.311 20 5 CGBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000557830452 376959132 /nfs/dbraw/zinc/95/91/32/376959132.db2.gz DIVAGKNREHLSOZ-LLVKDONJSA-N -1 3 278.352 3.359 20 5 CGBDHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1[N+](=O)[O-] ZINC000226950865 287636046 /nfs/dbraw/zinc/63/60/46/287636046.db2.gz VASKRKYRRYMCDA-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174868926 335168130 /nfs/dbraw/zinc/16/81/30/335168130.db2.gz RQJCTZGGHTWQFB-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1sc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000174902635 335169197 /nfs/dbraw/zinc/16/91/97/335169197.db2.gz HEQRRWLJFIHNRS-UHFFFAOYSA-N -1 3 296.279 3.062 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(Oc2nc3ccccc3c(=O)[n-]2)c1 ZINC000750530267 573146099 /nfs/dbraw/zinc/14/60/99/573146099.db2.gz IOLSWSMYGHNPSL-UHFFFAOYSA-N -1 3 297.270 3.344 20 5 CGBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(C2CCCC2)c1 ZINC000895887054 619901927 /nfs/dbraw/zinc/90/19/27/619901927.db2.gz HKCXAVCVXVQFOG-UHFFFAOYSA-N -1 3 273.296 3.045 20 5 CGBDHM Cc1cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2cc1F ZINC001251385510 805889937 /nfs/dbraw/zinc/88/99/37/805889937.db2.gz DCBILGGEGBSLJY-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM Cc1cc2c(cccc2Nc2cc([O-])cc([N+](=O)[O-])c2)nn1 ZINC001201223219 811799150 /nfs/dbraw/zinc/79/91/50/811799150.db2.gz XZCZGFDSSMINPS-UHFFFAOYSA-N -1 3 296.286 3.296 20 5 CGBDHM CCN(c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1N ZINC001201221601 811799207 /nfs/dbraw/zinc/79/92/07/811799207.db2.gz BMSULAFSOZHIRO-UHFFFAOYSA-N -1 3 273.292 3.041 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(O)cccc2Cl)c1 ZINC001201222449 811799570 /nfs/dbraw/zinc/79/95/70/811799570.db2.gz LYZKKXGZBLHAMX-UHFFFAOYSA-N -1 3 280.667 3.403 20 5 CGBDHM CN(c1cc([O-])cc([N+](=O)[O-])c1)c1cc(Cl)ccc1N ZINC001201223528 811800825 /nfs/dbraw/zinc/80/08/25/811800825.db2.gz ZVFHJOMXTLZHQA-UHFFFAOYSA-N -1 3 293.710 3.304 20 5 CGBDHM Cc1cn(-c2cc([O-])cc([N+](=O)[O-])c2)c2cccc(N)c12 ZINC001201229776 811801414 /nfs/dbraw/zinc/80/14/14/811801414.db2.gz SDGSCZHWKXMMQJ-UHFFFAOYSA-N -1 3 283.287 3.135 20 5 CGBDHM O=[N+]([O-])c1ccccc1[N-]c1ncc(Cl)nc1Cl ZINC001206140506 813210909 /nfs/dbraw/zinc/21/09/09/813210909.db2.gz WDIILCCOPWCCBX-UHFFFAOYSA-N -1 3 285.090 3.435 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCCc2ccccc21 ZINC001225665452 817132286 /nfs/dbraw/zinc/13/22/86/817132286.db2.gz ABRFGEYKWFHZLJ-ZDUSSCGKSA-N -1 3 286.287 3.152 20 5 CGBDHM CC[C@@H](C)[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747299 817712107 /nfs/dbraw/zinc/71/21/07/817712107.db2.gz ZQZIZBVYZDXYSM-BDAKNGLRSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@@H](C)[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747299 817712111 /nfs/dbraw/zinc/71/21/11/817712111.db2.gz ZQZIZBVYZDXYSM-BDAKNGLRSA-N -1 3 263.297 3.285 20 5 CGBDHM CCC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674077 817968278 /nfs/dbraw/zinc/96/82/78/817968278.db2.gz ICBLCTDLRIKVKW-VIFPVBQESA-N -1 3 263.297 3.347 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3CC[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672809 817968916 /nfs/dbraw/zinc/96/89/16/817968916.db2.gz BEKLXKJYGNNOCW-PSASIEDQSA-N -1 3 275.308 3.347 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001228686812 817973203 /nfs/dbraw/zinc/97/32/03/817973203.db2.gz RGAXZSDVTCZTLK-WCABBAIRSA-N -1 3 280.324 3.207 20 5 CGBDHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001234448393 818858019 /nfs/dbraw/zinc/85/80/19/818858019.db2.gz VVKIQOWXBSLJLB-SECBINFHSA-N -1 3 299.286 3.317 20 5 CGBDHM CS[C@@H]1CC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001343878138 936516584 /nfs/dbraw/zinc/51/65/84/936516584.db2.gz QPMBVXJKTPBYMZ-WCQYABFASA-N -1 3 296.392 3.016 20 5 CGBDHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000069693219 345384203 /nfs/dbraw/zinc/38/42/03/345384203.db2.gz DTVNQLQKWUBPDN-UHFFFAOYSA-N -1 3 298.707 3.268 20 5 CGBDHM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000093608238 345884059 /nfs/dbraw/zinc/88/40/59/345884059.db2.gz PLHPSSLREVZGFI-UHFFFAOYSA-N -1 3 264.325 3.063 20 5 CGBDHM CCCC[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202207 215010902 /nfs/dbraw/zinc/01/09/02/215010902.db2.gz BALCOAJDRDQKDS-LLVKDONJSA-N -1 3 266.341 3.311 20 5 CGBDHM CC1(C)CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596202444 347398495 /nfs/dbraw/zinc/39/84/95/347398495.db2.gz DTMBQBVQXBLKPG-VIFPVBQESA-N -1 3 265.313 3.076 20 5 CGBDHM O=c1cc(C=Cc2ccccc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC000352008667 219285668 /nfs/dbraw/zinc/28/56/68/219285668.db2.gz QXRGEAUGPLKXCQ-BQYQJAHWSA-N -1 3 283.287 3.138 20 5 CGBDHM O=c1cc(C=Cc2csc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000352009842 219287647 /nfs/dbraw/zinc/28/76/47/219287647.db2.gz ZSFZEOUNEDVSJU-RJRFIUFISA-N -1 3 289.316 3.200 20 5 CGBDHM Cc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1[O-] ZINC000352183572 219347699 /nfs/dbraw/zinc/34/76/99/219347699.db2.gz FTEZMIMGGVDWIQ-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CC[C@H](C)CO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000291915520 198104447 /nfs/dbraw/zinc/10/44/47/198104447.db2.gz RCVPCGKZYQPKLA-VIFPVBQESA-N -1 3 281.312 3.002 20 5 CGBDHM CCc1noc(C)c1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000339176531 376728014 /nfs/dbraw/zinc/72/80/14/376728014.db2.gz RCYJKICBEULVKL-UHFFFAOYSA-N -1 3 289.291 3.014 20 5 CGBDHM CCC[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339088979 376672145 /nfs/dbraw/zinc/67/21/45/376672145.db2.gz KRYJFSDBOOPJJS-ZDUSSCGKSA-N -1 3 278.352 3.455 20 5 CGBDHM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000339715288 376823213 /nfs/dbraw/zinc/82/32/13/376823213.db2.gz GHLZWPCAOARVPL-UKRRQHHQSA-N -1 3 290.363 3.311 20 5 CGBDHM O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000552781486 289198316 /nfs/dbraw/zinc/19/83/16/289198316.db2.gz HMXAGKZVFXBXAB-UHFFFAOYSA-N -1 3 298.707 3.268 20 5 CGBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1c(F)ccc(F)c1F ZINC000163562719 334870135 /nfs/dbraw/zinc/87/01/35/334870135.db2.gz PHCUGXVFKXGGAW-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM COc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000088209862 536608168 /nfs/dbraw/zinc/60/81/68/536608168.db2.gz YOEFTKYIHYWSNT-UHFFFAOYSA-N -1 3 296.279 3.056 20 5 CGBDHM Cc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1[O-] ZINC000179770974 624682972 /nfs/dbraw/zinc/68/29/72/624682972.db2.gz YYBKIODPUJSAAL-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CO[C@H](C)c1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001162376300 806570960 /nfs/dbraw/zinc/57/09/60/806570960.db2.gz WDOHDOKZGBDMMG-SECBINFHSA-N -1 3 289.291 3.146 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001175737366 809524999 /nfs/dbraw/zinc/52/49/99/809524999.db2.gz ZZTONLMGVXNDQN-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CC(C)(C)c1nnc([N-]c2ccc(/C=C/[N+](=O)[O-])cc2)o1 ZINC001175900986 809568368 /nfs/dbraw/zinc/56/83/68/809568368.db2.gz VWLUKMUWDLDDEI-CMDGGOBGSA-N -1 3 288.307 3.358 20 5 CGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cnc1Cl ZINC001199818540 811601001 /nfs/dbraw/zinc/60/10/01/811601001.db2.gz CTPSBGOIOMXOTH-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM CC(=O)Nc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223209 811799635 /nfs/dbraw/zinc/79/96/35/811799635.db2.gz XMKLUYJVGAULSC-UHFFFAOYSA-N -1 3 287.275 3.002 20 5 CGBDHM O=[N+]([O-])c1cc(F)ccc1Nc1ncc(Cl)cc1[O-] ZINC001210951587 814688885 /nfs/dbraw/zinc/68/88/85/814688885.db2.gz LGJGWBXDRVGHDI-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692379 817695470 /nfs/dbraw/zinc/69/54/70/817695470.db2.gz YIMDTYNGPNFRQN-KKZNHRDASA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@H]1CCCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747316 817711633 /nfs/dbraw/zinc/71/16/33/817711633.db2.gz ZSCILVBGEHBIBA-TVQRCGJNSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CCCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747316 817711637 /nfs/dbraw/zinc/71/16/37/817711637.db2.gz ZSCILVBGEHBIBA-TVQRCGJNSA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001228685984 817972940 /nfs/dbraw/zinc/97/29/40/817972940.db2.gz KZVHPLLIZVIQQF-LBPRGKRZSA-N -1 3 286.287 3.070 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC001228686191 817973827 /nfs/dbraw/zinc/97/38/27/817973827.db2.gz MKUQYYKJBBUCBN-LLVKDONJSA-N -1 3 282.340 3.453 20 5 CGBDHM C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1[N+](=O)[O-] ZINC001233677920 818677526 /nfs/dbraw/zinc/67/75/26/818677526.db2.gz QDRVUISVBVGWFT-JTQLQIEISA-N -1 3 299.282 3.310 20 5 CGBDHM O=[N+]([O-])c1ncccc1[N-]c1ccn(C2CCCCC2)n1 ZINC001329275843 935200898 /nfs/dbraw/zinc/20/08/98/935200898.db2.gz ZWCULZNHKZZGKU-UHFFFAOYSA-N -1 3 287.323 3.435 20 5 CGBDHM Cc1c([N-]C(=O)c2ocnc2C(F)F)cccc1[N+](=O)[O-] ZINC001521923299 938035298 /nfs/dbraw/zinc/03/52/98/938035298.db2.gz WFJFDCNWTSEVAV-UHFFFAOYSA-N -1 3 297.217 3.081 20 5 CGBDHM CS[C@@H]1CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092063971 345829102 /nfs/dbraw/zinc/82/91/02/345829102.db2.gz AIVKEPAGTGGYPF-CYBMUJFWSA-N -1 3 296.392 3.018 20 5 CGBDHM C[C@@H]1CCC[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093102836 345869209 /nfs/dbraw/zinc/86/92/09/345869209.db2.gz PTPDWDYOHIISAF-PHIMTYICSA-N -1 3 264.325 3.063 20 5 CGBDHM O=c1[n-]ccc(SC2CCCCC2)c1[N+](=O)[O-] ZINC000596055909 347378271 /nfs/dbraw/zinc/37/82/71/347378271.db2.gz PYJWLKYJPWYOAZ-UHFFFAOYSA-N -1 3 254.311 3.120 20 5 CGBDHM O=c1[n-]ccc(N[C@H]2C[C@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000596142752 347388500 /nfs/dbraw/zinc/38/85/00/347388500.db2.gz VVWMRYSBAVZMLG-JQWIXIFHSA-N -1 3 277.324 3.076 20 5 CGBDHM CC1(C)CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596176552 347394660 /nfs/dbraw/zinc/39/46/60/347394660.db2.gz BPGCFVPIWFUWHG-UHFFFAOYSA-N -1 3 279.340 3.324 20 5 CGBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1C ZINC000339461679 215189201 /nfs/dbraw/zinc/18/92/01/215189201.db2.gz JVKLNALVNDBNHE-UHFFFAOYSA-N -1 3 297.361 3.236 20 5 CGBDHM O=C([N-]c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000045829554 369286005 /nfs/dbraw/zinc/28/60/05/369286005.db2.gz MYJLKOQTUCODGS-UHFFFAOYSA-N -1 3 278.214 3.125 20 5 CGBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000557830453 376959436 /nfs/dbraw/zinc/95/94/36/376959436.db2.gz DIVAGKNREHLSOZ-NSHDSACASA-N -1 3 278.352 3.359 20 5 CGBDHM Cc1c([N-]c2nc(C)ccc2[N+](=O)[O-])cnn1CC(C)C ZINC000346696624 378678641 /nfs/dbraw/zinc/67/86/41/378678641.db2.gz SKGSRDBLJJDMNX-UHFFFAOYSA-N -1 3 289.339 3.203 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000050178845 392063150 /nfs/dbraw/zinc/06/31/50/392063150.db2.gz MIXRUIFJGJYJOV-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000179549014 260055006 /nfs/dbraw/zinc/05/50/06/260055006.db2.gz XNFXXRGZLWFHHJ-CMDGGOBGSA-N -1 3 298.298 3.261 20 5 CGBDHM CC[C@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000559155956 289538027 /nfs/dbraw/zinc/53/80/27/289538027.db2.gz TUNDNUJRMODZGE-SMDDNHRTSA-N -1 3 278.352 3.359 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000806574306 630568195 /nfs/dbraw/zinc/56/81/95/630568195.db2.gz KUXMLTXLPRTLPH-HYXAFXHYSA-N -1 3 291.694 3.223 20 5 CGBDHM Cc1noc(C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816916801 632061355 /nfs/dbraw/zinc/06/13/55/632061355.db2.gz QZDAHZVVFFQJAF-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM COc1cc(Cl)ncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828631 811601410 /nfs/dbraw/zinc/60/14/10/811601410.db2.gz PDRIEVBENDUBFB-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM COc1cccc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221948 811799524 /nfs/dbraw/zinc/79/95/24/811799524.db2.gz KGGZYISKZJAGGB-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM COc1ccc([N+](=O)[O-])cc1Nc1ccc([O-])c(F)c1 ZINC001210446221 814460211 /nfs/dbraw/zinc/46/02/11/814460211.db2.gz HGKNFZAZMZBXDA-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM CCCC(CCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690587 817694868 /nfs/dbraw/zinc/69/48/68/817694868.db2.gz JBHCWLXQPQMDPH-UHFFFAOYSA-N -1 3 278.312 3.214 20 5 CGBDHM CCC[C@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744622 817710979 /nfs/dbraw/zinc/71/09/79/817710979.db2.gz HGRHNJGRQXTBAF-JTQLQIEISA-N -1 3 263.297 3.429 20 5 CGBDHM CCC[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744622 817710982 /nfs/dbraw/zinc/71/09/82/817710982.db2.gz HGRHNJGRQXTBAF-JTQLQIEISA-N -1 3 263.297 3.429 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228687565 817973744 /nfs/dbraw/zinc/97/37/44/817973744.db2.gz YNMYWDBXHOTKJY-RKDXNWHRSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC001228686810 817973948 /nfs/dbraw/zinc/97/39/48/817973948.db2.gz RGAXZSDVTCZTLK-IQJOONFLSA-N -1 3 280.324 3.207 20 5 CGBDHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1[N+](=O)[O-] ZINC001234448016 818857321 /nfs/dbraw/zinc/85/73/21/818857321.db2.gz SEIBDXZVBNVAKT-VIFPVBQESA-N -1 3 299.286 3.317 20 5 CGBDHM Cc1cc([N-]C(=O)c2ocnc2C(F)F)cc([N+](=O)[O-])c1 ZINC001463412502 937672961 /nfs/dbraw/zinc/67/29/61/937672961.db2.gz JMGNKDZGYMGGAR-UHFFFAOYSA-N -1 3 297.217 3.081 20 5 CGBDHM CC[C@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743240 347110474 /nfs/dbraw/zinc/11/04/74/347110474.db2.gz DPTLRPAWKJGEKZ-MFKMUULPSA-N -1 3 292.335 3.056 20 5 CGBDHM CCc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1CC(C)C ZINC000619696807 349275584 /nfs/dbraw/zinc/27/55/84/349275584.db2.gz KXDBPFITJQQFMO-UHFFFAOYSA-N -1 3 295.368 3.210 20 5 CGBDHM O=C([N-]c1c(F)cc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000072506678 392207320 /nfs/dbraw/zinc/20/73/20/392207320.db2.gz HNBWSDKHUQGTRO-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM O=[N+]([O-])c1cc(F)ccc1NCc1ccc([O-])c(F)c1 ZINC000078020192 165127467 /nfs/dbraw/zinc/12/74/67/165127467.db2.gz FEABUDSAKLBOLP-UHFFFAOYSA-N -1 3 280.230 3.191 20 5 CGBDHM C[C@@H]1CCC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000343090524 287490260 /nfs/dbraw/zinc/49/02/60/287490260.db2.gz FJDXNGNZYMICRB-GYSYKLTISA-N -1 3 278.352 3.215 20 5 CGBDHM Cc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000542189499 288738044 /nfs/dbraw/zinc/73/80/44/288738044.db2.gz YDPLAGKRLSJXBB-UHFFFAOYSA-N -1 3 299.261 3.358 20 5 CGBDHM O=c1[n-]ccc(NC[C@H]2CCC=CCCC2)c1[N+](=O)[O-] ZINC000897246333 620171519 /nfs/dbraw/zinc/17/15/19/620171519.db2.gz SDOHDCQKTKFLNA-NSHDSACASA-N -1 3 277.324 3.244 20 5 CGBDHM C[C@H](O[N-]C(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000842061505 635271215 /nfs/dbraw/zinc/27/12/15/635271215.db2.gz YIQFDDLJSULENN-JTQLQIEISA-N -1 3 280.324 3.140 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(Cl)c2)c1 ZINC001199802314 811598198 /nfs/dbraw/zinc/59/81/98/811598198.db2.gz OPUACNORZZZESW-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C3CC3)n2)c1 ZINC001199828235 811600296 /nfs/dbraw/zinc/60/02/96/811600296.db2.gz CZTKOFXYQMRFPY-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM CCc1nccc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828780 811601030 /nfs/dbraw/zinc/60/10/30/811601030.db2.gz SBWFABSUMGBBIV-UHFFFAOYSA-N -1 3 273.292 3.310 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3nsnc32)c1 ZINC001199828779 811601273 /nfs/dbraw/zinc/60/12/73/811601273.db2.gz SBNQXXFWELZTJJ-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(CO)c(Cl)c2)c1 ZINC001201223985 811801737 /nfs/dbraw/zinc/80/17/37/811801737.db2.gz GSMBMOFDQAXRRS-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM O=[N+]([O-])c1cccc(Nc2c([O-])cccc2F)c1F ZINC001210380068 814433870 /nfs/dbraw/zinc/43/38/70/814433870.db2.gz OVLKSOPDMLFOHW-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=[N+]([O-])c1cc(Nc2cc([O-])c(F)cc2F)ccc1F ZINC001211193373 814845160 /nfs/dbraw/zinc/84/51/60/814845160.db2.gz SQVUPWJKWXAXAL-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CC(C)C1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225666536 817133172 /nfs/dbraw/zinc/13/31/72/817133172.db2.gz KDUUKBDCMZXDAN-UHFFFAOYSA-N -1 3 280.324 3.289 20 5 CGBDHM CCCCC[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667621 817134787 /nfs/dbraw/zinc/13/47/87/817134787.db2.gz UJXSJBSUNGDACP-JTQLQIEISA-N -1 3 268.313 3.433 20 5 CGBDHM Cc1ccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cc1 ZINC001227690937 817694079 /nfs/dbraw/zinc/69/40/79/817694079.db2.gz LBMCIEJJVUCSJR-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM C[C@@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)[C@@H]1C ZINC001227689632 817694734 /nfs/dbraw/zinc/69/47/34/817694734.db2.gz AYYQUAZLRZFLMY-KKZNHRDASA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692319 817695577 /nfs/dbraw/zinc/69/55/77/817695577.db2.gz WJXOCEPQULVZIW-WOFXILAISA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccnc1 ZINC001227741670 817709468 /nfs/dbraw/zinc/70/94/68/817709468.db2.gz QEHGCYMVLGGBGA-SECBINFHSA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccnc1 ZINC001227741670 817709473 /nfs/dbraw/zinc/70/94/73/817709473.db2.gz QEHGCYMVLGGBGA-SECBINFHSA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@@H](Cc1ccccc1)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745265 817710821 /nfs/dbraw/zinc/71/08/21/817710821.db2.gz LKRLSPQEOBSVSB-NSHDSACASA-N -1 3 297.314 3.481 20 5 CGBDHM C[C@@H](Cc1ccccc1)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745265 817710825 /nfs/dbraw/zinc/71/08/25/817710825.db2.gz LKRLSPQEOBSVSB-NSHDSACASA-N -1 3 297.314 3.481 20 5 CGBDHM C[C@@H]1CCCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747310 817712017 /nfs/dbraw/zinc/71/20/17/817712017.db2.gz ZSCILVBGEHBIBA-NOZJJQNGSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H]1CCCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747310 817712019 /nfs/dbraw/zinc/71/20/19/817712019.db2.gz ZSCILVBGEHBIBA-NOZJJQNGSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CCCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747319 817712192 /nfs/dbraw/zinc/71/21/92/817712192.db2.gz ZSCILVBGEHBIBA-ZANVPECISA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CCCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747319 817712198 /nfs/dbraw/zinc/71/21/98/817712198.db2.gz ZSCILVBGEHBIBA-ZANVPECISA-N -1 3 275.308 3.429 20 5 CGBDHM CCC(C)(C)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000594968686 347245584 /nfs/dbraw/zinc/24/55/84/347245584.db2.gz NRCCFLGNBROVJU-SNVBAGLBSA-N -1 3 266.341 3.215 20 5 CGBDHM CC1(C)CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596262074 347406945 /nfs/dbraw/zinc/40/69/45/347406945.db2.gz LTQUNVMGORLDQB-JTQLQIEISA-N -1 3 279.340 3.324 20 5 CGBDHM CCC1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596087522 347381553 /nfs/dbraw/zinc/38/15/53/347381553.db2.gz GZGYXKPZKSQQQR-UHFFFAOYSA-N -1 3 279.340 3.324 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C2CCCC1CCC2 ZINC000611274093 348433987 /nfs/dbraw/zinc/43/39/87/348433987.db2.gz PXYCQAWFGGYYBA-UHFFFAOYSA-N -1 3 276.336 3.207 20 5 CGBDHM CCc1noc(C)c1[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000120820724 370803639 /nfs/dbraw/zinc/80/36/39/370803639.db2.gz CINZKUCDEJICNG-UHFFFAOYSA-N -1 3 289.291 3.014 20 5 CGBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)on1 ZINC000025525113 368849217 /nfs/dbraw/zinc/84/92/17/368849217.db2.gz VYOWYDVVPATXNS-UHFFFAOYSA-N -1 3 299.242 3.095 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000534944502 376007533 /nfs/dbraw/zinc/00/75/33/376007533.db2.gz BDDJRIPEZSFUSI-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C ZINC000337012754 376058020 /nfs/dbraw/zinc/05/80/20/376058020.db2.gz IHKOSENKCCLZDR-UHFFFAOYSA-N -1 3 281.341 3.100 20 5 CGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)o1 ZINC000227867287 376417102 /nfs/dbraw/zinc/41/71/02/376417102.db2.gz LJPMAROEWFSPHJ-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM CC(C)C[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338942301 376589378 /nfs/dbraw/zinc/58/93/78/376589378.db2.gz KQKIQLCEQMDKFS-CYBMUJFWSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@H]1CC[C@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000339082080 376667707 /nfs/dbraw/zinc/66/77/07/376667707.db2.gz PYUXWRHWAKODJB-LRDDRELGSA-N -1 3 290.363 3.313 20 5 CGBDHM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCC2 ZINC000339064741 376656368 /nfs/dbraw/zinc/65/63/68/376656368.db2.gz UHXYPFLGAZJBAZ-LBPRGKRZSA-N -1 3 290.363 3.313 20 5 CGBDHM C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339118560 376693050 /nfs/dbraw/zinc/69/30/50/376693050.db2.gz IZRHNZHBKXOBOJ-UTUOFQBUSA-N -1 3 278.352 3.167 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000075285121 270042264 /nfs/dbraw/zinc/04/22/64/270042264.db2.gz FEMLRIHGPGQLPS-WEVVVXLNSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1ccc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000695455701 799829860 /nfs/dbraw/zinc/82/98/60/799829860.db2.gz PQIAVRBIABEKGN-MRVPVSSYSA-N -1 3 279.321 3.238 20 5 CGBDHM Cc1conc1[N-]C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001128731548 803202301 /nfs/dbraw/zinc/20/23/01/803202301.db2.gz OILQPBXZDGDYRV-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1c([O-])cccc1Cl ZINC001249545522 805171981 /nfs/dbraw/zinc/17/19/81/805171981.db2.gz OODRHUIVVJTRTH-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1cc([O-])c(F)cc1F ZINC001249548862 805173210 /nfs/dbraw/zinc/17/32/10/805173210.db2.gz YRGLGWHFHPNMNN-UHFFFAOYSA-N -1 3 281.218 3.026 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1ccc([O-])c(Cl)c1 ZINC001249548481 805173664 /nfs/dbraw/zinc/17/36/64/805173664.db2.gz NXYCDJYJFPCWNT-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(C3CCC3)no2)c1 ZINC001199801772 811599399 /nfs/dbraw/zinc/59/93/99/811599399.db2.gz JCOZWPXTMSLHJA-UHFFFAOYSA-N -1 3 275.264 3.300 20 5 CGBDHM O=c1[nH]ccc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc12 ZINC001201222853 811799159 /nfs/dbraw/zinc/79/91/59/811799159.db2.gz QBXMQKSKXSYKGC-UHFFFAOYSA-N -1 3 297.270 3.298 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3ocnc32)c1 ZINC001201222752 811799279 /nfs/dbraw/zinc/79/92/79/811799279.db2.gz QLMLLSXIRDNTTD-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM CC(=O)c1oc2cccnc2c1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203568944 812394575 /nfs/dbraw/zinc/39/45/75/812394575.db2.gz KTAFMFHLQYJRIQ-UHFFFAOYSA-N -1 3 298.258 3.077 20 5 CGBDHM O=c1cc(Nc2ccccc2[N+](=O)[O-])[n-]n1-c1ccccc1 ZINC001206150420 813214100 /nfs/dbraw/zinc/21/41/00/813214100.db2.gz SSCWEGUXOLLYCQ-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM CCCC/C=C/[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691598 817695598 /nfs/dbraw/zinc/69/55/98/817695598.db2.gz PVEZJNYRSMTUSE-VQCYPWCPSA-N -1 3 290.323 3.380 20 5 CGBDHM Cc1cc2[n-]c(OC3CCCC3)nc2cc1[N+](=O)[O-] ZINC001228675592 817969954 /nfs/dbraw/zinc/96/99/54/817969954.db2.gz REJLDQPEWXCMHI-UHFFFAOYSA-N -1 3 261.281 3.101 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)CCC(C)C)c1[N+](=O)[O-] ZINC001228687396 817973151 /nfs/dbraw/zinc/97/31/51/817973151.db2.gz WOEISDOTQRBQPU-VIFPVBQESA-N -1 3 268.313 3.207 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1cc(Cl)no1 ZINC001569997223 961889529 /nfs/dbraw/zinc/88/95/29/961889529.db2.gz NXZJZSFHMNUNEH-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM O=C([N-]c1cccc(F)c1F)c1ccc([N+](=O)[O-])s1 ZINC000067088628 345314077 /nfs/dbraw/zinc/31/40/77/345314077.db2.gz JGMDDOAARUQEMR-UHFFFAOYSA-N -1 3 284.243 3.187 20 5 CGBDHM O=c1cc(C=Cc2cccc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000352026978 219293317 /nfs/dbraw/zinc/29/33/17/219293317.db2.gz MFZSJQPTZXAHIG-DAXSKMNVSA-N -1 3 283.287 3.138 20 5 CGBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000339082432 376667427 /nfs/dbraw/zinc/66/74/27/376667427.db2.gz FMIXDCHZUVVPBB-NSHDSACASA-N -1 3 278.352 3.168 20 5 CGBDHM CC(C)C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339008794 376626573 /nfs/dbraw/zinc/62/65/73/376626573.db2.gz BEBGSJWMZDQINF-LBPRGKRZSA-N -1 3 278.352 3.168 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN(C1CC1)C1CCCC1 ZINC000574664202 377692151 /nfs/dbraw/zinc/69/21/51/377692151.db2.gz JYNALFKWHCPNPX-UHFFFAOYSA-N -1 3 276.336 3.207 20 5 CGBDHM Cc1cnc([N-]c2cnn([C@H](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000489946533 393622749 /nfs/dbraw/zinc/62/27/49/393622749.db2.gz QFHUAWXQRGHQMA-SNVBAGLBSA-N -1 3 287.323 3.209 20 5 CGBDHM CC[C@@H]1c2ccccc2CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000897353851 620226104 /nfs/dbraw/zinc/22/61/04/620226104.db2.gz GHKOUNJBIYHXDB-GFCCVEGCSA-N -1 3 285.303 3.167 20 5 CGBDHM CCOc1ccc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c1 ZINC001251009348 805828216 /nfs/dbraw/zinc/82/82/16/805828216.db2.gz JKLRCAGJQPIGAA-UHFFFAOYSA-N -1 3 299.286 3.242 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1c(F)cc([O-])cc1F ZINC001249545669 805171697 /nfs/dbraw/zinc/17/16/97/805171697.db2.gz DVIMJTOCGSVMKD-UHFFFAOYSA-N -1 3 281.218 3.026 20 5 CGBDHM O=[N+]([O-])c1cccnc1[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001168477502 807430714 /nfs/dbraw/zinc/43/07/14/807430714.db2.gz CUTBJXCYUSVUBY-JTQLQIEISA-N -1 3 298.224 3.100 20 5 CGBDHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001214165324 815375529 /nfs/dbraw/zinc/37/55/29/815375529.db2.gz QNRPIJIBRVGVTQ-UHFFFAOYSA-N -1 3 286.291 3.020 20 5 CGBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)n1 ZINC001199802667 811598352 /nfs/dbraw/zinc/59/83/52/811598352.db2.gz WRFWPVYVKBJDSB-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2CC2CCC2)c1 ZINC001199828853 811601262 /nfs/dbraw/zinc/60/12/62/811601262.db2.gz WBWWKCSJBUFEIE-UHFFFAOYSA-N -1 3 288.307 3.041 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cc(F)cc2F)c1 ZINC001201222443 811798622 /nfs/dbraw/zinc/79/86/22/811798622.db2.gz OWDZBUDPGSXJME-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM Cc1cc(O)cc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201225026 811800921 /nfs/dbraw/zinc/80/09/21/811800921.db2.gz YWIQDYUNTQDRCI-UHFFFAOYSA-N -1 3 274.276 3.366 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)ccc2CO)c1 ZINC001201224061 811801341 /nfs/dbraw/zinc/80/13/41/811801341.db2.gz HWCHYURYKMNEAW-UHFFFAOYSA-N -1 3 294.694 3.190 20 5 CGBDHM Cc1cn(-c2cc([O-])cc([N+](=O)[O-])c2)c2cc(N)ccc12 ZINC001201229274 811802047 /nfs/dbraw/zinc/80/20/47/811802047.db2.gz KRGZILCOZGUSTP-UHFFFAOYSA-N -1 3 283.287 3.135 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc([O-])cc2F)c1F ZINC001215295045 815504523 /nfs/dbraw/zinc/50/45/23/815504523.db2.gz QJLZBMZLCDREEC-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM O=[N+]([O-])c1cc(Nc2c([O-])cccc2F)ccc1F ZINC001211192706 814844395 /nfs/dbraw/zinc/84/43/95/814844395.db2.gz JGZDWIVTWOTZJB-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM CCCCC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665399 817132448 /nfs/dbraw/zinc/13/24/48/817132448.db2.gz YUQRCPYUZQEMBS-VIFPVBQESA-N -1 3 254.286 3.043 20 5 CGBDHM CCC(CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674744 817969424 /nfs/dbraw/zinc/96/94/24/817969424.db2.gz MIOLTIVIOKNYKG-UHFFFAOYSA-N -1 3 263.297 3.347 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC001228689965 817973484 /nfs/dbraw/zinc/97/34/84/817973484.db2.gz YCPRNPNXNMWXSH-RKDXNWHRSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001437254726 937292287 /nfs/dbraw/zinc/29/22/87/937292287.db2.gz WJJGEUHBMYJWCM-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM O=c1[n-]ccc(NCc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001472673715 937780075 /nfs/dbraw/zinc/78/00/75/937780075.db2.gz AWRNCBVTTIVRSV-UHFFFAOYSA-N -1 3 297.673 3.100 20 5 CGBDHM CCc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001535565849 938101975 /nfs/dbraw/zinc/10/19/75/938101975.db2.gz KZPJJYCCFVADRG-UHFFFAOYSA-N -1 3 295.295 3.005 20 5 CGBDHM CC[C@@H]1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596249671 347404539 /nfs/dbraw/zinc/40/45/39/347404539.db2.gz JYCKSGLUBHSNIX-GHMZBOCLSA-N -1 3 279.340 3.324 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000596059042 347378065 /nfs/dbraw/zinc/37/80/65/347378065.db2.gz FFJBZQMNNHENQP-VIFPVBQESA-N -1 3 291.332 3.098 20 5 CGBDHM O=c1[n-]ccc(NCCCC2CCCC2)c1[N+](=O)[O-] ZINC000596071209 347379841 /nfs/dbraw/zinc/37/98/41/347379841.db2.gz LXIGKYMSYRFMQN-UHFFFAOYSA-N -1 3 265.313 3.078 20 5 CGBDHM Cc1cccc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596129191 347385916 /nfs/dbraw/zinc/38/59/16/347385916.db2.gz PVBFFFAVXLHVSR-LLVKDONJSA-N -1 3 287.319 3.485 20 5 CGBDHM C[C@@H]1CCCC[C@H]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127752 347385963 /nfs/dbraw/zinc/38/59/63/347385963.db2.gz DLYDYGSTVDOTBV-MNOVXSKESA-N -1 3 279.340 3.324 20 5 CGBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc([O-])c(F)c2)c(F)c1 ZINC000301811254 201212877 /nfs/dbraw/zinc/21/28/77/201212877.db2.gz XYXSNIDQXLDREK-UHFFFAOYSA-N -1 3 298.220 3.330 20 5 CGBDHM COc1ccc([N-]C(=O)c2ccoc2Cl)c([N+](=O)[O-])c1 ZINC000192394260 375744839 /nfs/dbraw/zinc/74/48/39/375744839.db2.gz CKFPKVNEAYLBOH-UHFFFAOYSA-N -1 3 296.666 3.102 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000339135793 376701404 /nfs/dbraw/zinc/70/14/04/376701404.db2.gz MARMBVWAJDWMRT-UHFFFAOYSA-N -1 3 264.325 3.065 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000339144400 376707832 /nfs/dbraw/zinc/70/78/32/376707832.db2.gz GDGWKSNKRACABW-LBPRGKRZSA-N -1 3 278.352 3.311 20 5 CGBDHM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C ZINC000413211516 527709207 /nfs/dbraw/zinc/70/92/07/527709207.db2.gz XRIXVFJZGIYJRT-UHFFFAOYSA-N -1 3 293.302 3.178 20 5 CGBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)c1C(C)C ZINC000899349687 620653753 /nfs/dbraw/zinc/65/37/53/620653753.db2.gz JUOJVQMUVPOMNL-LBPRGKRZSA-N -1 3 295.726 3.243 20 5 CGBDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000903311644 621684259 /nfs/dbraw/zinc/68/42/59/621684259.db2.gz QTYZQJPVZZAJDX-DTWKUNHWSA-N -1 3 293.348 3.169 20 5 CGBDHM O=c1[n-]ccc(NCc2cscc2Cl)c1[N+](=O)[O-] ZINC001164158628 806904997 /nfs/dbraw/zinc/90/49/97/806904997.db2.gz RRPKHBWPKIQZMP-UHFFFAOYSA-N -1 3 285.712 3.022 20 5 CGBDHM Cc1ccc(Nc2cccc(F)c2[O-])cc1[N+](=O)[O-] ZINC001213667612 815321371 /nfs/dbraw/zinc/32/13/71/815321371.db2.gz UKGDNBXXVVLSSR-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1ccc(Nc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001213666844 815321606 /nfs/dbraw/zinc/32/16/06/815321606.db2.gz DLAORYGKACPAMU-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1cnn(C2CCC2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828618 811599891 /nfs/dbraw/zinc/59/98/91/811599891.db2.gz ORUOSPKAQCZQES-UHFFFAOYSA-N -1 3 288.307 3.274 20 5 CGBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC001201222429 811798702 /nfs/dbraw/zinc/79/87/02/811798702.db2.gz OTRFCKPZSXZMLV-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM CN(C)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222740 811798964 /nfs/dbraw/zinc/79/89/64/811798964.db2.gz QGWPAMVVVBXGLY-UHFFFAOYSA-N -1 3 273.292 3.110 20 5 CGBDHM Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1O ZINC001201223232 811799320 /nfs/dbraw/zinc/79/93/20/811799320.db2.gz ZBXWYFAMIGILDW-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM CCc1ccc(O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223269 811801563 /nfs/dbraw/zinc/80/15/63/811801563.db2.gz VQLQWMSJHPHWRJ-UHFFFAOYSA-N -1 3 274.276 3.312 20 5 CGBDHM Cc1ccc2c(c1)CC[C@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225661603 817131585 /nfs/dbraw/zinc/13/15/85/817131585.db2.gz MWJPHFJNCQJKSP-CYBMUJFWSA-N -1 3 286.287 3.070 20 5 CGBDHM CCC[C@H](C)[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664997 817132305 /nfs/dbraw/zinc/13/23/05/817132305.db2.gz WMLVOWBZSQVWCI-GXSJLCMTSA-N -1 3 268.313 3.289 20 5 CGBDHM CCC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)[C@H](C)CC ZINC001227692325 817695417 /nfs/dbraw/zinc/69/54/17/817695417.db2.gz WPIHZMIBHXXJRG-MWLCHTKSSA-N -1 3 292.339 3.460 20 5 CGBDHM O=c1[n-]ccc(N[C@H](C2CCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000596287440 347410725 /nfs/dbraw/zinc/41/07/25/347410725.db2.gz SNAAQCIYKLNZOQ-ZDUSSCGKSA-N -1 3 291.351 3.466 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000596074722 347379801 /nfs/dbraw/zinc/37/98/01/347379801.db2.gz FIHVUWACSWXYRH-JTQLQIEISA-N -1 3 291.332 3.098 20 5 CGBDHM C[C@H]1CC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)C1 ZINC000596424674 347453595 /nfs/dbraw/zinc/45/35/95/347453595.db2.gz LHYFAPGZMCCOCY-NXEZZACHSA-N -1 3 279.340 3.180 20 5 CGBDHM C[C@@H](C1CC1)n1cc([N-]c2ncc(F)cc2[N+](=O)[O-])cn1 ZINC000601146970 347874898 /nfs/dbraw/zinc/87/48/98/347874898.db2.gz FTWPCZGDCPWJRB-QMMMGPOBSA-N -1 3 291.286 3.040 20 5 CGBDHM CSc1ccncc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000610543902 348389709 /nfs/dbraw/zinc/38/97/09/348389709.db2.gz FTVYOOXWZUFCDP-UHFFFAOYSA-N -1 3 295.345 3.026 20 5 CGBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2F)cnn1CC(C)C ZINC000413219412 235261586 /nfs/dbraw/zinc/26/15/86/235261586.db2.gz MJZLFUSKBWPCJJ-UHFFFAOYSA-N -1 3 293.302 3.033 20 5 CGBDHM C[C@H]1CCC[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339005115 376623842 /nfs/dbraw/zinc/62/38/42/376623842.db2.gz KLLHMYTTYSSSCN-RYUDHWBXSA-N -1 3 278.352 3.311 20 5 CGBDHM CC[C@]1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339008019 376626522 /nfs/dbraw/zinc/62/65/22/376626522.db2.gz CBCBXECJFCHISJ-OAHLLOKOSA-N -1 3 278.352 3.313 20 5 CGBDHM CC[C@H](C)n1ncc([N-]c2ncccc2[N+](=O)[O-])c1C ZINC000357639234 381237164 /nfs/dbraw/zinc/23/71/64/381237164.db2.gz UOVUAVYLBUVMBX-VIFPVBQESA-N -1 3 275.312 3.209 20 5 CGBDHM CC[C@H](C)n1nc([N-]c2c(F)cccc2[N+](=O)[O-])cc1C ZINC000553519439 289228488 /nfs/dbraw/zinc/22/84/88/289228488.db2.gz FNOKQMAMJINDOS-VIFPVBQESA-N -1 3 292.314 3.375 20 5 CGBDHM Cc1c(Oc2nc3ccccc3c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000750530954 573146309 /nfs/dbraw/zinc/14/63/09/573146309.db2.gz CUFWTMFHDVGBJY-UHFFFAOYSA-N -1 3 297.270 3.344 20 5 CGBDHM Cc1cc(F)cc2[nH]c(-c3ccc([N+](=O)[O-])cc3[O-])nc21 ZINC001251009515 805828564 /nfs/dbraw/zinc/82/85/64/805828564.db2.gz MSXLHVJGTQBBQS-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM CCc1ncoc1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC001128846607 803206220 /nfs/dbraw/zinc/20/62/20/803206220.db2.gz AERJNPGBJPSMPO-UHFFFAOYSA-N -1 3 295.682 3.051 20 5 CGBDHM Cc1ccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001184536526 810208115 /nfs/dbraw/zinc/20/81/15/810208115.db2.gz SHTDNRCDNJPUQZ-UHFFFAOYSA-N -1 3 276.317 3.463 20 5 CGBDHM CC(C)(C)c1nsc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199801770 811598316 /nfs/dbraw/zinc/59/83/16/811598316.db2.gz JBAFHBPMGYDCDD-UHFFFAOYSA-N -1 3 294.336 3.193 20 5 CGBDHM CC(C)(O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222870 811799384 /nfs/dbraw/zinc/79/93/84/811799384.db2.gz QRKIPAHRBVYEDD-UHFFFAOYSA-N -1 3 288.303 3.271 20 5 CGBDHM COc1c(F)c(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229262 811801114 /nfs/dbraw/zinc/80/11/14/811801114.db2.gz JYRRDMRVORZDTO-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM Cc1c(O)cccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224687 811802015 /nfs/dbraw/zinc/80/20/15/811802015.db2.gz PYTDRTPKKJSBBG-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM Cc1cc(C)nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210392998 814441009 /nfs/dbraw/zinc/44/10/09/814441009.db2.gz SHCPMRZJPBDLED-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM CCCC[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665463 817132582 /nfs/dbraw/zinc/13/25/82/817132582.db2.gz AGVKPPICOTXIMC-SECBINFHSA-N -1 3 254.286 3.043 20 5 CGBDHM CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001225664500 817132852 /nfs/dbraw/zinc/13/28/52/817132852.db2.gz PJNNRVXZKBBRIR-LBPRGKRZSA-N -1 3 280.324 3.433 20 5 CGBDHM CC(C)CCC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666779 817132990 /nfs/dbraw/zinc/13/29/90/817132990.db2.gz MFLCDIWRFZVCKK-JTQLQIEISA-N -1 3 268.313 3.289 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001225668139 817134624 /nfs/dbraw/zinc/13/46/24/817134624.db2.gz YXRWVNFUKXEPGP-IJLUTSLNSA-N -1 3 292.335 3.433 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3C[C@H]4C=C[C@@H]3C4)nc2cc1[N+](=O)[O-] ZINC001228676042 817969462 /nfs/dbraw/zinc/96/94/62/817969462.db2.gz VIQVTDPNBXLCOH-IMSIIYSGSA-N -1 3 285.303 3.123 20 5 CGBDHM CC[C@H]1CC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])CC1 ZINC001228689177 817973261 /nfs/dbraw/zinc/97/32/61/817973261.db2.gz PTLDPDBDKAEDKQ-XYPYZODXSA-N -1 3 280.324 3.351 20 5 CGBDHM Cc1[n-]c(=O)cc(OC2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC001228689963 817973313 /nfs/dbraw/zinc/97/33/13/817973313.db2.gz YCPRNPNXNMWXSH-IUCAKERBSA-N -1 3 280.324 3.207 20 5 CGBDHM CC(C)(F)c1cc([N-]C(=O)c2ccccc2[N+](=O)[O-])no1 ZINC001463532613 937676288 /nfs/dbraw/zinc/67/62/88/937676288.db2.gz ZWZWXSFRNAHNEE-UHFFFAOYSA-N -1 3 293.254 3.040 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000596059038 347378345 /nfs/dbraw/zinc/37/83/45/347378345.db2.gz FFJBZQMNNHENQP-SECBINFHSA-N -1 3 291.332 3.098 20 5 CGBDHM O=c1[n-]ccc(NC[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000596071778 347379967 /nfs/dbraw/zinc/37/99/67/347379967.db2.gz XQNBELDRIZHDPF-LBPRGKRZSA-N -1 3 299.330 3.227 20 5 CGBDHM CC(C)[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596107817 347383822 /nfs/dbraw/zinc/38/38/22/347383822.db2.gz PHBRDLXKVWEZGS-QWRGUYRKSA-N -1 3 279.340 3.322 20 5 CGBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1cccs1 ZINC000596142666 347388538 /nfs/dbraw/zinc/38/85/38/347388538.db2.gz UVQFVYUSRWKARC-SECBINFHSA-N -1 3 293.348 3.048 20 5 CGBDHM CC[C@H]1CC[C@@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456523 374466971 /nfs/dbraw/zinc/46/69/71/374466971.db2.gz PNDLXFJCFGISTR-PWSUYJOCSA-N -1 3 264.325 3.063 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCCCC1 ZINC000559038580 377061047 /nfs/dbraw/zinc/06/10/47/377061047.db2.gz WJIHJNALIUHEJY-UHFFFAOYSA-N -1 3 278.352 3.455 20 5 CGBDHM Cc1sc(C(=O)Nc2ccc([O-])cc2F)cc1[N+](=O)[O-] ZINC000183269538 165708078 /nfs/dbraw/zinc/70/80/78/165708078.db2.gz CYXQMBCJKVEAQE-UHFFFAOYSA-N -1 3 296.279 3.062 20 5 CGBDHM Cc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1[O-] ZINC000316043722 270092638 /nfs/dbraw/zinc/09/26/38/270092638.db2.gz NBACRFXHMUTDDO-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM O=C(Nc1c([O-])cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000552780061 289198443 /nfs/dbraw/zinc/19/84/43/289198443.db2.gz UPGSARNHBNZZRL-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM C[C@@H](N[C@@H](C)c1cncs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903311643 621684275 /nfs/dbraw/zinc/68/42/75/621684275.db2.gz QTYZQJPVZZAJDX-BDAKNGLRSA-N -1 3 293.348 3.169 20 5 CGBDHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000137340635 637452545 /nfs/dbraw/zinc/45/25/45/637452545.db2.gz LHALZFLPUFLIEK-SNVBAGLBSA-N -1 3 287.271 3.218 20 5 CGBDHM Cc1oc2ccccc2c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162994265 806692683 /nfs/dbraw/zinc/69/26/83/806692683.db2.gz CNIPUXKBIPPIJP-UHFFFAOYSA-N -1 3 299.286 3.362 20 5 CGBDHM COc1ccc(Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC001176363808 809677804 /nfs/dbraw/zinc/67/78/04/809677804.db2.gz UEBKVOSZESJCLM-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM CCc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC001185827831 810296199 /nfs/dbraw/zinc/29/61/99/810296199.db2.gz OZAOONZZWMUBFW-UHFFFAOYSA-N -1 3 273.292 3.310 20 5 CGBDHM Cc1ccc([N-]c2nccnc2Cl)c([N+](=O)[O-])c1 ZINC001214165224 815375253 /nfs/dbraw/zinc/37/52/53/815375253.db2.gz OMDDKZHZVXYIOO-UHFFFAOYSA-N -1 3 264.672 3.090 20 5 CGBDHM CCC[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001198430660 811502447 /nfs/dbraw/zinc/50/24/47/811502447.db2.gz SVRXGERWUDDVFL-GFCCVEGCSA-N -1 3 264.325 3.065 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2scnc2C2CC2)c1 ZINC001199828922 811599936 /nfs/dbraw/zinc/59/99/36/811599936.db2.gz ZHRPHWQTRFPFMZ-UHFFFAOYSA-N -1 3 277.305 3.378 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001199828901 811600895 /nfs/dbraw/zinc/60/08/95/811600895.db2.gz YEBLLSPKQGSHHP-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1cccc(O)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222963 811798587 /nfs/dbraw/zinc/79/85/87/811798587.db2.gz UIAFWDOCIOAXBY-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM COc1ccc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1F ZINC001201222872 811799403 /nfs/dbraw/zinc/79/94/03/811799403.db2.gz QSNDCBOSJZXIIT-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM Cc1ccc(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201223141 811799458 /nfs/dbraw/zinc/79/94/58/811799458.db2.gz UYWYHQRHDCSXPA-UHFFFAOYSA-N -1 3 273.292 3.243 20 5 CGBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001201223511 811800085 /nfs/dbraw/zinc/80/00/85/811800085.db2.gz ZSMSPIATTRIQGQ-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001211285310 814869918 /nfs/dbraw/zinc/86/99/18/814869918.db2.gz CYIQYBGSPGBJHY-UHFFFAOYSA-N -1 3 286.291 3.020 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001225668144 817134680 /nfs/dbraw/zinc/13/46/80/817134680.db2.gz YXRWVNFUKXEPGP-SDDRHHMPSA-N -1 3 292.335 3.433 20 5 CGBDHM CC[C@@H](C)CC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689705 817694376 /nfs/dbraw/zinc/69/43/76/817694376.db2.gz BZMPUIXCACFJCW-ZJUUUORDSA-N -1 3 292.339 3.460 20 5 CGBDHM CCC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)[C@H](C)CC ZINC001227692324 817695781 /nfs/dbraw/zinc/69/57/81/817695781.db2.gz WPIHZMIBHXXJRG-KOLCDFICSA-N -1 3 292.339 3.460 20 5 CGBDHM CC[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227691535 817696448 /nfs/dbraw/zinc/69/64/48/817696448.db2.gz PEAANVOZYSIERC-MGCOHNPYSA-N -1 3 290.323 3.214 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCCC[C@H]3F)[n-]c2c1 ZINC001227742649 817708880 /nfs/dbraw/zinc/70/88/80/817708880.db2.gz COZDWMOEXBEJFU-BXKDBHETSA-N -1 3 279.271 3.131 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCCC[C@H]3F)nc2c1 ZINC001227742649 817708888 /nfs/dbraw/zinc/70/88/88/817708888.db2.gz COZDWMOEXBEJFU-BXKDBHETSA-N -1 3 279.271 3.131 20 5 CGBDHM O=[N+]([O-])c1cc2[n-]c(OC3CC=CC3)nc2cc1Cl ZINC001233498584 818627318 /nfs/dbraw/zinc/62/73/18/818627318.db2.gz MFAYEAAGNGIBBV-UHFFFAOYSA-N -1 3 279.683 3.222 20 5 CGBDHM CC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596270325 347408368 /nfs/dbraw/zinc/40/83/68/347408368.db2.gz DGTKDNCPFITCPB-SSDOTTSWSA-N -1 3 293.245 3.086 20 5 CGBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000596464427 347461153 /nfs/dbraw/zinc/46/11/53/347461153.db2.gz SCJPRPNTYPDXIJ-UHFFFAOYSA-N -1 3 293.367 3.348 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(C(C)(C)C)c2)n1 ZINC000611616703 348463324 /nfs/dbraw/zinc/46/33/24/348463324.db2.gz OUSSEDBKSRIAFA-UHFFFAOYSA-N -1 3 289.339 3.302 20 5 CGBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000154341210 371837892 /nfs/dbraw/zinc/83/78/92/371837892.db2.gz KHXBWOQKYIEFBY-UHFFFAOYSA-N -1 3 295.302 3.228 20 5 CGBDHM C[C@@H]1CCCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339000803 287251677 /nfs/dbraw/zinc/25/16/77/287251677.db2.gz WNKUHYSKCFXUGP-LLVKDONJSA-N -1 3 264.325 3.065 20 5 CGBDHM Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000192713155 534626705 /nfs/dbraw/zinc/62/67/05/534626705.db2.gz WWQGPPHQQKUPOO-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CC(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000742220230 572559322 /nfs/dbraw/zinc/55/93/22/572559322.db2.gz MBFQVCXKGGOYLQ-GQCTYLIASA-N -1 3 285.303 3.384 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000806574548 630568392 /nfs/dbraw/zinc/56/83/92/630568392.db2.gz RRRKTJDJTKIHDJ-DJWKRKHSSA-N -1 3 291.694 3.223 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000806574550 630568583 /nfs/dbraw/zinc/56/85/83/630568583.db2.gz RRRKTJDJTKIHDJ-GORDUTHDSA-N -1 3 291.694 3.223 20 5 CGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCCCCC2)c1 ZINC000846230272 636164191 /nfs/dbraw/zinc/16/41/91/636164191.db2.gz DVLYJCYZMMBHDA-UHFFFAOYSA-N -1 3 292.335 3.059 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1NCc1ncccc1[O-] ZINC001169731924 807699825 /nfs/dbraw/zinc/69/98/25/807699825.db2.gz TWBOSQUKXVVZEN-UHFFFAOYSA-N -1 3 287.319 3.233 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174478262 809033601 /nfs/dbraw/zinc/03/36/01/809033601.db2.gz FOTCUWILQYHRLQ-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM COc1ccc([N-]c2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC001176359601 809676132 /nfs/dbraw/zinc/67/61/32/809676132.db2.gz KIQWPOLPIPDTKE-UHFFFAOYSA-N -1 3 292.295 3.028 20 5 CGBDHM CC(C)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199801666 811598274 /nfs/dbraw/zinc/59/82/74/811598274.db2.gz GAVUPRWPXNCZPD-UHFFFAOYSA-N -1 3 263.253 3.155 20 5 CGBDHM COc1nc(Cl)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818940 811600411 /nfs/dbraw/zinc/60/04/11/811600411.db2.gz IARRGOQFRQFAQK-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM Cc1nc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)nc1C ZINC001199818526 811600797 /nfs/dbraw/zinc/60/07/97/811600797.db2.gz CCIOFUPEDHEARE-UHFFFAOYSA-N -1 3 294.698 3.104 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(Cl)n1 ZINC001199818564 811601082 /nfs/dbraw/zinc/60/10/82/811601082.db2.gz DPWBAXZYQXNDDC-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM Cc1cc(O)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222450 811798553 /nfs/dbraw/zinc/79/85/53/811798553.db2.gz MCJOJDXSSLZYKY-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM COc1ccc(F)c(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222464 811799580 /nfs/dbraw/zinc/79/95/80/811799580.db2.gz MLUFAJUFQCTAOZ-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM O=[N+]([O-])c1cc(F)cc(Nc2ccc(F)cc2[O-])c1 ZINC001216482172 815836557 /nfs/dbraw/zinc/83/65/57/815836557.db2.gz ZIMRNTLZEBLKBG-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC001225660816 817131404 /nfs/dbraw/zinc/13/14/04/817131404.db2.gz HDOPSLULDBAUSJ-MRVPVSSYSA-N -1 3 294.694 3.489 20 5 CGBDHM CCC[C@@H](C)[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664998 817132427 /nfs/dbraw/zinc/13/24/27/817132427.db2.gz WMLVOWBZSQVWCI-KOLCDFICSA-N -1 3 268.313 3.289 20 5 CGBDHM C[C@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227742505 817708969 /nfs/dbraw/zinc/70/89/69/817708969.db2.gz AKSYAGUVIJVFEC-WCBMZHEXSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227742505 817708977 /nfs/dbraw/zinc/70/89/77/817708977.db2.gz AKSYAGUVIJVFEC-WCBMZHEXSA-N -1 3 261.281 3.039 20 5 CGBDHM CCCC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743458 817709252 /nfs/dbraw/zinc/70/92/52/817709252.db2.gz PSBHUXTURSFTSI-VIFPVBQESA-N -1 3 263.297 3.429 20 5 CGBDHM CCCC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743458 817709260 /nfs/dbraw/zinc/70/92/60/817709260.db2.gz PSBHUXTURSFTSI-VIFPVBQESA-N -1 3 263.297 3.429 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3CC[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672812 817968044 /nfs/dbraw/zinc/96/80/44/817968044.db2.gz BEKLXKJYGNNOCW-WCBMZHEXSA-N -1 3 275.308 3.347 20 5 CGBDHM CCn1ncc([N-]c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC001559270998 938224209 /nfs/dbraw/zinc/22/42/09/938224209.db2.gz ONTBTXGHBCZLAW-UHFFFAOYSA-N -1 3 297.318 3.411 20 5 CGBDHM CCc1nc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])sc1C ZINC000596290647 347411410 /nfs/dbraw/zinc/41/14/10/347411410.db2.gz QTIVTBGTTCKUTH-UHFFFAOYSA-N -1 3 297.361 3.174 20 5 CGBDHM Cc1cc(C)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000596093611 347382246 /nfs/dbraw/zinc/38/22/46/347382246.db2.gz HPDWXPCVPFLDFG-UHFFFAOYSA-N -1 3 287.319 3.233 20 5 CGBDHM Cc1ccc([C@@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596133068 347386614 /nfs/dbraw/zinc/38/66/14/347386614.db2.gz CRQUVVKNLODONI-NSHDSACASA-N -1 3 287.319 3.219 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000601203715 347880060 /nfs/dbraw/zinc/88/00/60/347880060.db2.gz MGRWYVYWXONGNP-CHWSQXEVSA-N -1 3 299.330 3.444 20 5 CGBDHM O=c1cc(C=Cc2csc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000352009841 219287520 /nfs/dbraw/zinc/28/75/20/219287520.db2.gz ZSFZEOUNEDVSJU-DAFODLJHSA-N -1 3 289.316 3.200 20 5 CGBDHM CC(C)c1noc([N-][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271747903 191303766 /nfs/dbraw/zinc/30/37/66/191303766.db2.gz XUYNJFGEQRRLGD-VIFPVBQESA-N -1 3 276.296 3.274 20 5 CGBDHM O=[N+]([O-])c1c(Sc2cccc([O-])c2)nc2sccn21 ZINC000130413261 371031410 /nfs/dbraw/zinc/03/14/10/371031410.db2.gz QDWBQYDKVIRJRL-UHFFFAOYSA-N -1 3 293.329 3.161 20 5 CGBDHM CC(C)(C)[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338963117 376602948 /nfs/dbraw/zinc/60/29/48/376602948.db2.gz LTRMMIMXTHFSEY-AWEZNQCLSA-N -1 3 278.352 3.311 20 5 CGBDHM O=C(Nc1cc(Cl)ccc1[O-])c1csc([N+](=O)[O-])c1 ZINC000340243222 376962090 /nfs/dbraw/zinc/96/20/90/376962090.db2.gz LDMPZHWKNBRNAZ-UHFFFAOYSA-N -1 3 298.707 3.268 20 5 CGBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])c2ccccc21 ZINC001169732547 807701842 /nfs/dbraw/zinc/70/18/42/807701842.db2.gz LCNVNCOEHAKYNX-UHFFFAOYSA-N -1 3 295.298 3.461 20 5 CGBDHM Cc1ccc(Nc2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC001213666864 815321360 /nfs/dbraw/zinc/32/13/60/815321360.db2.gz FFFPQZVEUJQOBQ-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Nc1cc(F)cc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229264 811800389 /nfs/dbraw/zinc/80/03/89/811800389.db2.gz KBRQVTVTCXZPQJ-UHFFFAOYSA-N -1 3 297.673 3.419 20 5 CGBDHM CN1CCc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC001210399899 814446632 /nfs/dbraw/zinc/44/66/32/814446632.db2.gz YZAJUNPJIQPDEL-UHFFFAOYSA-N -1 3 299.330 3.032 20 5 CGBDHM O=[N+]([O-])c1cc(F)cc(Nc2c([O-])cccc2F)c1 ZINC001216483660 815837884 /nfs/dbraw/zinc/83/78/84/815837884.db2.gz DZQLTHGDXFAHQU-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM CCC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC001225666796 817132757 /nfs/dbraw/zinc/13/27/57/817132757.db2.gz MMSFOWPQVNYIGW-SNVBAGLBSA-N -1 3 268.313 3.289 20 5 CGBDHM C[C@@H]1CC[C@@H](C)[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692378 817695562 /nfs/dbraw/zinc/69/55/62/817695562.db2.gz YIMDTYNGPNFRQN-FXPVBKGRSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227693313 817695750 /nfs/dbraw/zinc/69/57/50/817695750.db2.gz SCUNHJYIQQHSKN-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227742507 817709011 /nfs/dbraw/zinc/70/90/11/817709011.db2.gz AKSYAGUVIJVFEC-WPRPVWTQSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227742507 817709019 /nfs/dbraw/zinc/70/90/19/817709019.db2.gz AKSYAGUVIJVFEC-WPRPVWTQSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1nccs1 ZINC001227742809 817709387 /nfs/dbraw/zinc/70/93/87/817709387.db2.gz DBDFRZHIZZXHGO-SSDOTTSWSA-N -1 3 290.304 3.068 20 5 CGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1nccs1 ZINC001227742809 817709394 /nfs/dbraw/zinc/70/93/94/817709394.db2.gz DBDFRZHIZZXHGO-SSDOTTSWSA-N -1 3 290.304 3.068 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(OC3CCCCC3)[n-]c2c1 ZINC001227747246 817712279 /nfs/dbraw/zinc/71/22/79/817712279.db2.gz ZDOIYYNKPDLCRU-UHFFFAOYSA-N -1 3 261.281 3.183 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCCCC3)nc2c1 ZINC001227747246 817712284 /nfs/dbraw/zinc/71/22/84/817712284.db2.gz ZDOIYYNKPDLCRU-UHFFFAOYSA-N -1 3 261.281 3.183 20 5 CGBDHM Cc1cc2[n-]c(O[C@H](C)C(C)C)nc2cc1[N+](=O)[O-] ZINC001228672906 817968487 /nfs/dbraw/zinc/96/84/87/817968487.db2.gz CPGRLAPQWMZZHE-SECBINFHSA-N -1 3 263.297 3.203 20 5 CGBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596076316 347379333 /nfs/dbraw/zinc/37/93/33/347379333.db2.gz NTDNJAMJMPFAPO-UHFFFAOYSA-N -1 3 287.319 3.085 20 5 CGBDHM C[C@@H]1CC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000596424676 347453692 /nfs/dbraw/zinc/45/36/92/347453692.db2.gz LHYFAPGZMCCOCY-UWVGGRQHSA-N -1 3 279.340 3.180 20 5 CGBDHM O=C([N-]c1ccc(C2CCC2)cn1)c1ccc([N+](=O)[O-])o1 ZINC000294700670 199141219 /nfs/dbraw/zinc/14/12/19/199141219.db2.gz KHTLIEFHUDJUPM-UHFFFAOYSA-N -1 3 287.275 3.103 20 5 CGBDHM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000330459920 374467959 /nfs/dbraw/zinc/46/79/59/374467959.db2.gz UVWNVHOVCJEHLV-UHFFFAOYSA-N -1 3 278.352 3.453 20 5 CGBDHM CCC1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338956946 376600175 /nfs/dbraw/zinc/60/01/75/376600175.db2.gz MASVMQSTYVJZLN-UHFFFAOYSA-N -1 3 278.352 3.313 20 5 CGBDHM CCC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339017053 376632149 /nfs/dbraw/zinc/63/21/49/376632149.db2.gz HJDYIPJPXDJFHW-GFCCVEGCSA-N -1 3 278.352 3.313 20 5 CGBDHM CCS[C@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339186480 376732428 /nfs/dbraw/zinc/73/24/28/376732428.db2.gz VBGHMBJXTROUGA-OCCSQVGLSA-N -1 3 296.392 3.064 20 5 CGBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000020432777 262249565 /nfs/dbraw/zinc/24/95/65/262249565.db2.gz BBNPEKGUSUAQGN-UHFFFAOYSA-N -1 3 283.243 3.017 20 5 CGBDHM Cc1cc(Oc2nc3ccccc3c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000750530718 573146211 /nfs/dbraw/zinc/14/62/11/573146211.db2.gz QQBCHQKQWPUVKP-UHFFFAOYSA-N -1 3 297.270 3.344 20 5 CGBDHM O=c1[n-]ccc(SC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000897538717 620381076 /nfs/dbraw/zinc/38/10/76/620381076.db2.gz BJJQYIJNTGDPEQ-UHFFFAOYSA-N -1 3 290.291 3.365 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1cccc(Cl)c1[N+](=O)[O-] ZINC000080598655 640493890 /nfs/dbraw/zinc/49/38/90/640493890.db2.gz AZSISQNTXBOMFC-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM CS(=O)(=O)[N-]c1c2ccccc2cc2ccccc21 ZINC001252742508 806107250 /nfs/dbraw/zinc/10/72/50/806107250.db2.gz WTNPXWHZDCNSAC-UHFFFAOYSA-N -1 3 271.341 3.365 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174478963 809034300 /nfs/dbraw/zinc/03/43/00/809034300.db2.gz FUHUZLNHOVNUFN-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=C([O-])c1ccc(Nc2ccnc(C3CC3)c2)cc1[N+](=O)[O-] ZINC001174503839 809052520 /nfs/dbraw/zinc/05/25/20/809052520.db2.gz LFMHITLQTKYOHZ-UHFFFAOYSA-N -1 3 299.286 3.309 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)ncc2F)c1 ZINC001199814663 811599427 /nfs/dbraw/zinc/59/94/27/811599427.db2.gz MTURPDOLTFQKKN-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3c2CCCO3)c1 ZINC001201233203 811802731 /nfs/dbraw/zinc/80/27/31/811802731.db2.gz YZBUTBXURUHUTD-UHFFFAOYSA-N -1 3 286.287 3.369 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2c([O-])cccc2F)c1F ZINC001215295320 815504377 /nfs/dbraw/zinc/50/43/77/815504377.db2.gz VZWZJEAZNMOWBN-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM Cc1cnc(Cl)c([N-]c2ccc(F)cc2[N+](=O)[O-])n1 ZINC001210952605 814689955 /nfs/dbraw/zinc/68/99/55/814689955.db2.gz LWFITSYTGYSVFR-UHFFFAOYSA-N -1 3 282.662 3.229 20 5 CGBDHM CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001225664499 817133229 /nfs/dbraw/zinc/13/32/29/817133229.db2.gz PJNNRVXZKBBRIR-GFCCVEGCSA-N -1 3 280.324 3.433 20 5 CGBDHM CCC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])[C@H](C)CC ZINC001225667067 817134160 /nfs/dbraw/zinc/13/41/60/817134160.db2.gz OUKKAPWFUCEZLR-MWLCHTKSSA-N -1 3 268.313 3.289 20 5 CGBDHM CCC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])[C@H](C)CC ZINC001225667064 817134404 /nfs/dbraw/zinc/13/44/04/817134404.db2.gz OUKKAPWFUCEZLR-KOLCDFICSA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@H]1CCCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667438 817134719 /nfs/dbraw/zinc/13/47/19/817134719.db2.gz STEZYGHUUIRUIG-GXSJLCMTSA-N -1 3 266.297 3.043 20 5 CGBDHM CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227693217 817695770 /nfs/dbraw/zinc/69/57/70/817695770.db2.gz OWXYWIMBVHFQNL-GFCCVEGCSA-N -1 3 298.302 3.396 20 5 CGBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccn1 ZINC001227743484 817709349 /nfs/dbraw/zinc/70/93/49/817709349.db2.gz QRXNDOQQCPEBGH-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccn1 ZINC001227743484 817709354 /nfs/dbraw/zinc/70/93/54/817709354.db2.gz QRXNDOQQCPEBGH-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM CC(C)C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743369 817709727 /nfs/dbraw/zinc/70/97/27/817709727.db2.gz NLGMMEMTYGXRQH-SECBINFHSA-N -1 3 263.297 3.285 20 5 CGBDHM CC(C)C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743369 817709730 /nfs/dbraw/zinc/70/97/30/817709730.db2.gz NLGMMEMTYGXRQH-SECBINFHSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@@H](C)[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747308 817711905 /nfs/dbraw/zinc/71/19/05/817711905.db2.gz ZQZIZBVYZDXYSM-RKDXNWHRSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@@H](C)[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747308 817711910 /nfs/dbraw/zinc/71/19/10/817711910.db2.gz ZQZIZBVYZDXYSM-RKDXNWHRSA-N -1 3 263.297 3.285 20 5 CGBDHM Cc1cc2[n-]c(O[C@H](C)C3CCC3)nc2cc1[N+](=O)[O-] ZINC001228675544 817969517 /nfs/dbraw/zinc/96/95/17/817969517.db2.gz QKPVEMOQXIICSQ-SECBINFHSA-N -1 3 275.308 3.347 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3CCCC[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001228675417 817969842 /nfs/dbraw/zinc/96/98/42/817969842.db2.gz PVWCLQAPZOMXTG-RNCFNFMXSA-N -1 3 293.298 3.439 20 5 CGBDHM C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001233496874 818628026 /nfs/dbraw/zinc/62/80/26/818628026.db2.gz CEKKICSUAGDKMV-LURJTMIESA-N -1 3 281.699 3.302 20 5 CGBDHM CCCC[C@H](CC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596070409 347379346 /nfs/dbraw/zinc/37/93/46/347379346.db2.gz BGKCRGHBWNUPBF-JTQLQIEISA-N -1 3 267.329 3.324 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000596127900 347386036 /nfs/dbraw/zinc/38/60/36/347386036.db2.gz GCZQUCRJCACAPA-OAHLLOKOSA-N -1 3 289.335 3.022 20 5 CGBDHM CCS[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596152409 347390406 /nfs/dbraw/zinc/39/04/06/347390406.db2.gz XBROGJGPNCXRST-ZJUUUORDSA-N -1 3 297.380 3.172 20 5 CGBDHM O=c1[n-]ccc(N2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000596373607 347438178 /nfs/dbraw/zinc/43/81/78/347438178.db2.gz ODBXOPPZSXUQSJ-UHFFFAOYSA-N -1 3 291.351 3.246 20 5 CGBDHM Cc1cccc2c1CCC[C@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596544361 347477560 /nfs/dbraw/zinc/47/75/60/347477560.db2.gz PKAGAZZJNHIXPT-CYBMUJFWSA-N -1 3 299.330 3.493 20 5 CGBDHM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1[O-] ZINC000436934965 237219534 /nfs/dbraw/zinc/21/95/34/237219534.db2.gz UYTFWFHATAIKQI-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1[O-] ZINC000019838930 368770529 /nfs/dbraw/zinc/77/05/29/368770529.db2.gz AXYYVEAJTAIFDX-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM C[C@H]1CC[C@@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000339082078 376667732 /nfs/dbraw/zinc/66/77/32/376667732.db2.gz PYUXWRHWAKODJB-BLLLJJGKSA-N -1 3 290.363 3.313 20 5 CGBDHM CCC1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000449426423 393881290 /nfs/dbraw/zinc/88/12/90/393881290.db2.gz PRMOAPWPTLUSMF-UHFFFAOYSA-N -1 3 264.325 3.113 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000446228818 393855225 /nfs/dbraw/zinc/85/52/25/393855225.db2.gz UJFOWYSVINYZAE-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ccn1 ZINC000035122562 171992512 /nfs/dbraw/zinc/99/25/12/171992512.db2.gz NXLXYDZMOYKQOJ-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1F ZINC000054204223 619766563 /nfs/dbraw/zinc/76/65/63/619766563.db2.gz AGPWFIOUPFOEQQ-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM Cc1cc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c2cc1F ZINC001251009596 805828521 /nfs/dbraw/zinc/82/85/21/805828521.db2.gz PEGCDUKDHRKUQV-UHFFFAOYSA-N -1 3 287.250 3.291 20 5 CGBDHM COc1ccc(Nc2ncc(Cl)cc2[O-])c([N+](=O)[O-])c1 ZINC001248460980 804934966 /nfs/dbraw/zinc/93/49/66/804934966.db2.gz JAQSKQGBLTURCY-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C(C)C)n1 ZINC001199801154 811599380 /nfs/dbraw/zinc/59/93/80/811599380.db2.gz ADTQPSXIOQXQEQ-UHFFFAOYSA-N -1 3 276.296 3.130 20 5 CGBDHM C[C@H]1CCc2cc(N)ccc2N1c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222809 811798610 /nfs/dbraw/zinc/79/86/10/811798610.db2.gz SGIRMHBYWMNNGI-JTQLQIEISA-N -1 3 299.330 3.355 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(-c3nnco3)c2)c1 ZINC001201222864 811799647 /nfs/dbraw/zinc/79/96/47/811799647.db2.gz UJSZPPKLXILJGM-UHFFFAOYSA-N -1 3 298.258 3.094 20 5 CGBDHM COc1cc(C)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223252 811800983 /nfs/dbraw/zinc/80/09/83/811800983.db2.gz VAKHFCPFUQNMQN-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM O=[N+]([O-])c1cc(Nc2ccc(F)cc2[O-])ccc1F ZINC001211192883 814845407 /nfs/dbraw/zinc/84/54/07/814845407.db2.gz SLQJFGLDPPPHDL-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM C[C@H]1CCC[C@H](C)C1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692317 817695517 /nfs/dbraw/zinc/69/55/17/817695517.db2.gz WJXOCEPQULVZIW-IUCAKERBSA-N -1 3 290.323 3.070 20 5 CGBDHM CCCC[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692971 817696084 /nfs/dbraw/zinc/69/60/84/817696084.db2.gz HTALAQHNHLZEQJ-SECBINFHSA-N -1 3 278.312 3.214 20 5 CGBDHM C[C@H](Cc1ccccc1)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745263 817710594 /nfs/dbraw/zinc/71/05/94/817710594.db2.gz LKRLSPQEOBSVSB-LLVKDONJSA-N -1 3 297.314 3.481 20 5 CGBDHM C[C@H](Cc1ccccc1)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745263 817710597 /nfs/dbraw/zinc/71/05/97/817710597.db2.gz LKRLSPQEOBSVSB-LLVKDONJSA-N -1 3 297.314 3.481 20 5 CGBDHM CC[C@@H]1CCCC[C@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687211 817972972 /nfs/dbraw/zinc/97/29/72/817972972.db2.gz URVWAIQOUOFQNJ-GHMZBOCLSA-N -1 3 280.324 3.351 20 5 CGBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3C=CCC3)nc2cc1Cl ZINC001233505809 818628521 /nfs/dbraw/zinc/62/85/21/818628521.db2.gz HJZFBSZSDFDOMY-SSDOTTSWSA-N -1 3 279.683 3.222 20 5 CGBDHM CN(CCC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000592145599 346966940 /nfs/dbraw/zinc/96/69/40/346966940.db2.gz ZAVSLPZPDDNTCL-UHFFFAOYSA-N -1 3 266.341 3.168 20 5 CGBDHM O=c1[n-]ccc(N2CCC(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596070606 347379973 /nfs/dbraw/zinc/37/99/73/347379973.db2.gz GBDXBMYSGUAONQ-UHFFFAOYSA-N -1 3 299.330 3.079 20 5 CGBDHM CC1(c2ccccc2)CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596116015 347384730 /nfs/dbraw/zinc/38/47/30/347384730.db2.gz GSLXLSSBLOILKD-UHFFFAOYSA-N -1 3 299.330 3.228 20 5 CGBDHM O=c1[n-]ccc(N2CCCC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596123704 347385400 /nfs/dbraw/zinc/38/54/00/347385400.db2.gz CZNYBSQNNDBXTF-UHFFFAOYSA-N -1 3 291.351 3.246 20 5 CGBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1cccs1 ZINC000596142669 347388572 /nfs/dbraw/zinc/38/85/72/347388572.db2.gz UVQFVYUSRWKARC-VIFPVBQESA-N -1 3 293.348 3.048 20 5 CGBDHM CCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596196067 347397252 /nfs/dbraw/zinc/39/72/52/347397252.db2.gz HYYPVJFDKMJOEM-UHFFFAOYSA-N -1 3 279.340 3.468 20 5 CGBDHM CCC1(CC)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596201269 347397904 /nfs/dbraw/zinc/39/79/04/347397904.db2.gz WYSWJAUHFUOGRS-UHFFFAOYSA-N -1 3 279.340 3.102 20 5 CGBDHM C[C@@H]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596219153 347400332 /nfs/dbraw/zinc/40/03/32/347400332.db2.gz NQOFFUKXQZHDBN-VWYCJHECSA-N -1 3 279.340 3.180 20 5 CGBDHM CC(C)(C)c1ccc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000604542489 348123455 /nfs/dbraw/zinc/12/34/55/348123455.db2.gz DLSASCVQOQHXSD-UHFFFAOYSA-N -1 3 289.291 3.133 20 5 CGBDHM O=C([N-]c1ncc(Cl)s1)c1ccc([N+](=O)[O-])s1 ZINC000610492591 348385227 /nfs/dbraw/zinc/38/52/27/348385227.db2.gz GLMFFUSEAXNOKP-UHFFFAOYSA-N -1 3 289.725 3.019 20 5 CGBDHM CC(C)c1noc([N-][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271747902 191302920 /nfs/dbraw/zinc/30/29/20/191302920.db2.gz XUYNJFGEQRRLGD-SECBINFHSA-N -1 3 276.296 3.274 20 5 CGBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c([O-])c1 ZINC000042255749 369208891 /nfs/dbraw/zinc/20/88/91/369208891.db2.gz DALHBIXVFYGAIW-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CCCCn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C ZINC000161114789 372302174 /nfs/dbraw/zinc/30/21/74/372302174.db2.gz SQFWNQQJKHZJCG-UHFFFAOYSA-N -1 3 275.312 3.038 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000338894271 376563586 /nfs/dbraw/zinc/56/35/86/376563586.db2.gz XHOIDXCBDMTVSU-WFASDCNBSA-N -1 3 290.363 3.455 20 5 CGBDHM C[C@@H]1CCC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000343090526 377899616 /nfs/dbraw/zinc/89/96/16/377899616.db2.gz FJDXNGNZYMICRB-SUNKGSAMSA-N -1 3 278.352 3.215 20 5 CGBDHM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c([O-])c1 ZINC000121725628 287202508 /nfs/dbraw/zinc/20/25/08/287202508.db2.gz JEQOEZNWJYRYOO-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=C(Nc1c([O-])cccc1Cl)c1csc([N+](=O)[O-])c1 ZINC000557406335 289439190 /nfs/dbraw/zinc/43/91/90/289439190.db2.gz GSGNKPBCWRVYLD-UHFFFAOYSA-N -1 3 298.707 3.268 20 5 CGBDHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)cccc1[N+](=O)[O-] ZINC000387081227 336184902 /nfs/dbraw/zinc/18/49/02/336184902.db2.gz STRVQVVAHGRVAL-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM O=c1[n-]ccc(NCCC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000895438928 619829189 /nfs/dbraw/zinc/82/91/89/619829189.db2.gz UGCAWIQBYICDNU-UHFFFAOYSA-N -1 3 299.330 3.229 20 5 CGBDHM COc1csc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000175491478 624642061 /nfs/dbraw/zinc/64/20/61/624642061.db2.gz HDZBLGDZWHGOIM-UHFFFAOYSA-N -1 3 296.279 3.056 20 5 CGBDHM O=c1[n-]ccc(Oc2ccc3cccnc3c2)c1[N+](=O)[O-] ZINC001163199497 806718897 /nfs/dbraw/zinc/71/88/97/806718897.db2.gz CALPYQZGBFEYOM-UHFFFAOYSA-N -1 3 283.243 3.036 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2C(F)(F)F)c1 ZINC001199801714 811599228 /nfs/dbraw/zinc/59/92/28/811599228.db2.gz HQACZVFNIJNGLE-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM Cc1cc(O)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224486 811800200 /nfs/dbraw/zinc/80/02/00/811800200.db2.gz OIUNUABYIIHXLW-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM O=[N+]([O-])c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001206179701 813229142 /nfs/dbraw/zinc/22/91/42/813229142.db2.gz DDHWZTUHPLYBJK-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM Nc1ccc(Nc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC001209935311 814204140 /nfs/dbraw/zinc/20/41/40/814204140.db2.gz LXIZTXQYIPPRCD-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM COc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1[O-] ZINC001210446860 814460929 /nfs/dbraw/zinc/46/09/29/814460929.db2.gz PTYBVWOPUCISBO-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM CCCC/C=C/[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666137 817133148 /nfs/dbraw/zinc/13/31/48/817133148.db2.gz GPSCOVMLXUUYCU-VQCYPWCPSA-N -1 3 266.297 3.209 20 5 CGBDHM Cc1ccccc1[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691374 817695864 /nfs/dbraw/zinc/69/58/64/817695864.db2.gz NGOKNCMXLZDRSD-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM CCC[C@H](C)[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227696385 817697586 /nfs/dbraw/zinc/69/75/86/817697586.db2.gz XPYRGADNNHISRY-ONGXEEELSA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001227980397 817771985 /nfs/dbraw/zinc/77/19/85/817771985.db2.gz MWASQRZLSIJUAD-MRVPVSSYSA-N -1 3 294.694 3.489 20 5 CGBDHM Cc1cccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001472673189 937780219 /nfs/dbraw/zinc/78/02/19/937780219.db2.gz GGKTVBKEFWWABD-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM O=c1[nH]c(-c2cccc([O-])c2)nc2cc3ccccc3cc21 ZINC000080128127 345666680 /nfs/dbraw/zinc/66/66/80/345666680.db2.gz OQWBBCVIECKMCH-UHFFFAOYSA-N -1 3 288.306 3.449 20 5 CGBDHM CCCC[C@@H](CC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596070410 347379484 /nfs/dbraw/zinc/37/94/84/347379484.db2.gz BGKCRGHBWNUPBF-SNVBAGLBSA-N -1 3 267.329 3.324 20 5 CGBDHM C[C@H]1[C@@H](c2ccccc2)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155977 347391137 /nfs/dbraw/zinc/39/11/37/347391137.db2.gz XPKCANUZBCHBFP-AAEUAGOBSA-N -1 3 299.330 3.078 20 5 CGBDHM CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596159352 347391836 /nfs/dbraw/zinc/39/18/36/347391836.db2.gz AXBQSNUKQQARHR-UHFFFAOYSA-N -1 3 265.313 3.078 20 5 CGBDHM CCCCn1ncc([N-]c2ncc(F)cc2[N+](=O)[O-])c1C ZINC000601132633 347873169 /nfs/dbraw/zinc/87/31/69/347873169.db2.gz LLCDECKOMMURQP-UHFFFAOYSA-N -1 3 293.302 3.178 20 5 CGBDHM Cc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000486077572 243351567 /nfs/dbraw/zinc/35/15/67/243351567.db2.gz NRPLZTXGVRJCPO-QPJJXVBHSA-N -1 3 297.314 3.447 20 5 CGBDHM Cc1cc(Sc2cccc([O-])c2)ncc1[N+](=O)[O-] ZINC000130414616 371031341 /nfs/dbraw/zinc/03/13/41/371031341.db2.gz DQLKHPYGTPSMPU-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1ccccc1[N+](=O)[O-] ZINC000293084018 372295714 /nfs/dbraw/zinc/29/57/14/372295714.db2.gz OFPNXOMPJSUOHM-ZCFIWIBFSA-N -1 3 284.222 3.089 20 5 CGBDHM Cc1cnc([N-]c2cnn([C@@H](C)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000489946531 393622288 /nfs/dbraw/zinc/62/22/88/393622288.db2.gz QFHUAWXQRGHQMA-JTQLQIEISA-N -1 3 287.323 3.209 20 5 CGBDHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)cc([N+](=O)[O-])c1 ZINC000317289814 260169505 /nfs/dbraw/zinc/16/95/05/260169505.db2.gz YGTHMSGDNGGKOG-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1[O-] ZINC000180881069 260527069 /nfs/dbraw/zinc/52/70/69/260527069.db2.gz UNTJGKRBVGEOIT-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cnc(Cl)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814957 811599513 /nfs/dbraw/zinc/59/95/13/811599513.db2.gz RATFTTAWJBHLGN-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nsc3ncccc23)c1 ZINC001199818529 811599966 /nfs/dbraw/zinc/59/99/66/811599966.db2.gz CFTOLMAWQZIUJX-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM CCc1ncsc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828483 811601320 /nfs/dbraw/zinc/60/13/20/811601320.db2.gz JQEKPVICXZIKCH-UHFFFAOYSA-N -1 3 265.294 3.063 20 5 CGBDHM CN1CCCc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc21 ZINC001201222005 811799201 /nfs/dbraw/zinc/79/92/01/811799201.db2.gz HZFWBGQHNVXXJZ-UHFFFAOYSA-N -1 3 299.330 3.426 20 5 CGBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC001201223218 811799718 /nfs/dbraw/zinc/79/97/18/811799718.db2.gz XXLRLDNIOMOCDW-UHFFFAOYSA-N -1 3 290.275 3.061 20 5 CGBDHM Cc1cc2c(cccc2N)n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229515 811800319 /nfs/dbraw/zinc/80/03/19/811800319.db2.gz ONRSGKFMTFDAOB-UHFFFAOYSA-N -1 3 283.287 3.135 20 5 CGBDHM CC1(C)CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667650 817134608 /nfs/dbraw/zinc/13/46/08/817134608.db2.gz VGGWQETYRSDLOC-UHFFFAOYSA-N -1 3 266.297 3.043 20 5 CGBDHM CC/C=C(\C)[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227696358 817696855 /nfs/dbraw/zinc/69/68/55/817696855.db2.gz WZRXHXHLHWQICF-LAHYYIKRSA-N -1 3 290.323 3.380 20 5 CGBDHM CCC[C@@H](C)[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227696384 817696893 /nfs/dbraw/zinc/69/68/93/817696893.db2.gz XPYRGADNNHISRY-MWLCHTKSSA-N -1 3 292.339 3.460 20 5 CGBDHM CC[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227742523 817709704 /nfs/dbraw/zinc/70/97/04/817709704.db2.gz AQGWIBHLNDENBG-LBPRGKRZSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227742523 817709707 /nfs/dbraw/zinc/70/97/07/817709707.db2.gz AQGWIBHLNDENBG-LBPRGKRZSA-N -1 3 263.297 3.285 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCC(F)(F)C3)[n-]c2c1 ZINC001227743851 817710444 /nfs/dbraw/zinc/71/04/44/817710444.db2.gz ZIHNRQMUNNROCY-QMMMGPOBSA-N -1 3 283.234 3.038 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCC(F)(F)C3)nc2c1 ZINC001227743851 817710451 /nfs/dbraw/zinc/71/04/51/817710451.db2.gz ZIHNRQMUNNROCY-QMMMGPOBSA-N -1 3 283.234 3.038 20 5 CGBDHM Cc1cc2[n-]c(O[C@H](C)C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC001228674235 817969471 /nfs/dbraw/zinc/96/94/71/817969471.db2.gz JKWIJMBUTWMIHV-ZCFIWIBFSA-N -1 3 289.213 3.109 20 5 CGBDHM CCCCC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685802 817972470 /nfs/dbraw/zinc/97/24/70/817972470.db2.gz KLPGGNGSYYWMFS-SECBINFHSA-N -1 3 268.313 3.351 20 5 CGBDHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1[N+](=O)[O-] ZINC001234448013 818856940 /nfs/dbraw/zinc/85/69/40/818856940.db2.gz SEIBDXZVBNVAKT-SECBINFHSA-N -1 3 299.286 3.317 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1C1CCC1 ZINC000092780740 345857840 /nfs/dbraw/zinc/85/78/40/345857840.db2.gz BSPBJLGIUTZFPT-AWEZNQCLSA-N -1 3 276.336 3.065 20 5 CGBDHM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1[O-] ZINC000174950781 346246589 /nfs/dbraw/zinc/24/65/89/346246589.db2.gz DXEGAEHMRIPNEB-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596129168 347386137 /nfs/dbraw/zinc/38/61/37/347386137.db2.gz PJPYPYUULLCRRF-DGCLKSJQSA-N -1 3 299.330 3.078 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596138179 347387966 /nfs/dbraw/zinc/38/79/66/347387966.db2.gz QPQRTIGPNIDZJI-OUAUKWLOSA-N -1 3 277.324 3.076 20 5 CGBDHM CC(C)CCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596159785 347391695 /nfs/dbraw/zinc/39/16/95/347391695.db2.gz JBQYQSUYJOTSTH-UHFFFAOYSA-N -1 3 293.367 3.348 20 5 CGBDHM CC(C)c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596195565 347397179 /nfs/dbraw/zinc/39/71/79/347397179.db2.gz FOHJSVGBYOGWIF-UHFFFAOYSA-N -1 3 287.319 3.431 20 5 CGBDHM C[C@@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000599167152 347722782 /nfs/dbraw/zinc/72/27/82/347722782.db2.gz PKJVOGDBSIOLJT-NSHDSACASA-N -1 3 293.367 3.348 20 5 CGBDHM CCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000485420505 243334711 /nfs/dbraw/zinc/33/47/11/243334711.db2.gz MFHSLQWJVCYGHF-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM Cc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c([O-])c1 ZINC000088147490 370029110 /nfs/dbraw/zinc/02/91/10/370029110.db2.gz WOGMGTLKJMUNCB-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1ccnc(Sc2cccc([O-])c2)c1[N+](=O)[O-] ZINC000130417696 371031671 /nfs/dbraw/zinc/03/16/71/371031671.db2.gz NUVCQXIWBPJSMM-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000338894270 376562144 /nfs/dbraw/zinc/56/21/44/376562144.db2.gz XHOIDXCBDMTVSU-SWLSCSKDSA-N -1 3 290.363 3.455 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000339144399 376707500 /nfs/dbraw/zinc/70/75/00/376707500.db2.gz GDGWKSNKRACABW-GFCCVEGCSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556866690 376891697 /nfs/dbraw/zinc/89/16/97/376891697.db2.gz HQBHQIPDHACPHT-TYNCELHUSA-N -1 3 290.363 3.453 20 5 CGBDHM Cc1cccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1[O-] ZINC000194958050 392949112 /nfs/dbraw/zinc/94/91/12/392949112.db2.gz CECBHTCZVNHLMS-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CCc1onc(C)c1[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000089400374 287089387 /nfs/dbraw/zinc/08/93/87/287089387.db2.gz WSBGOXIFALGKJM-UHFFFAOYSA-N -1 3 289.291 3.014 20 5 CGBDHM Cc1cc(Cl)c(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001169735932 807701589 /nfs/dbraw/zinc/70/15/89/807701589.db2.gz BPLSAMOUYJXKMO-UHFFFAOYSA-N -1 3 293.710 3.269 20 5 CGBDHM Cc1cc(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814949 811598428 /nfs/dbraw/zinc/59/84/28/811598428.db2.gz QWSIZEWHHXGEJS-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnccc2C2CC2)c1 ZINC001199819152 811600026 /nfs/dbraw/zinc/60/00/26/811600026.db2.gz LMSPESLQBUUBLR-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c([N-]c2nccs2)c1F ZINC001215285413 815502370 /nfs/dbraw/zinc/50/23/70/815502370.db2.gz MAZVSSLTVXNRJP-UHFFFAOYSA-N -1 3 257.221 3.073 20 5 CGBDHM CC[C@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225666497 817133108 /nfs/dbraw/zinc/13/31/08/817133108.db2.gz JRLJOLFMOJRODH-MGCOHNPYSA-N -1 3 266.297 3.043 20 5 CGBDHM CC(C)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336672 817331136 /nfs/dbraw/zinc/33/11/36/817331136.db2.gz RNBKPHIAWDJPAF-SNVBAGLBSA-N -1 3 279.214 3.266 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCCC[C@H]3F)[n-]c2c1 ZINC001227742652 817709721 /nfs/dbraw/zinc/70/97/21/817709721.db2.gz COZDWMOEXBEJFU-SKDRFNHKSA-N -1 3 279.271 3.131 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCCC[C@H]3F)nc2c1 ZINC001227742652 817709722 /nfs/dbraw/zinc/70/97/22/817709722.db2.gz COZDWMOEXBEJFU-SKDRFNHKSA-N -1 3 279.271 3.131 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3C[C@H]4CC[C@@H]3C4)[n-]c2c1 ZINC001227744137 817711057 /nfs/dbraw/zinc/71/10/57/817711057.db2.gz CXDQAOOENJLICF-IGJMFERPSA-N -1 3 273.292 3.039 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3C[C@H]4CC[C@@H]3C4)nc2c1 ZINC001227744137 817711061 /nfs/dbraw/zinc/71/10/61/817711061.db2.gz CXDQAOOENJLICF-IGJMFERPSA-N -1 3 273.292 3.039 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3CCCC[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001228675421 817969729 /nfs/dbraw/zinc/96/97/29/817969729.db2.gz PVWCLQAPZOMXTG-ZANVPECISA-N -1 3 293.298 3.439 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC001228688061 817973236 /nfs/dbraw/zinc/97/32/36/817973236.db2.gz DAKBDAGWXYFQDP-FXPVBKGRSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC001228686139 817973880 /nfs/dbraw/zinc/97/38/80/817973880.db2.gz LRIZBJQSODVRJH-MRVPVSSYSA-N -1 3 280.305 3.205 20 5 CGBDHM O=c1[n-]ccc(NCc2ccc(Cl)cc2F)c1[N+](=O)[O-] ZINC001458333478 937459351 /nfs/dbraw/zinc/45/93/51/937459351.db2.gz XKNBTCNJBRQHQT-UHFFFAOYSA-N -1 3 297.673 3.100 20 5 CGBDHM Cc1coc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1C ZINC001327094783 935028762 /nfs/dbraw/zinc/02/87/62/935028762.db2.gz FDNKJJLAWIGLQG-UHFFFAOYSA-N -1 3 296.229 3.335 20 5 CGBDHM CCc1cc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])no1 ZINC001586731182 963134679 /nfs/dbraw/zinc/13/46/79/963134679.db2.gz QVXMHXIVVPDKSA-UHFFFAOYSA-N -1 3 295.682 3.051 20 5 CGBDHM Cc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046304652 345038742 /nfs/dbraw/zinc/03/87/42/345038742.db2.gz WBUPILLKUDDMLO-UHFFFAOYSA-N -1 3 296.286 3.032 20 5 CGBDHM C[C@@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000593734786 347109306 /nfs/dbraw/zinc/10/93/06/347109306.db2.gz NQHYMZCPWZSNBF-SNVBAGLBSA-N -1 3 294.351 3.159 20 5 CGBDHM C[C@H](CCc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596055142 347378216 /nfs/dbraw/zinc/37/82/16/347378216.db2.gz FPUOKRBELFFVDA-LLVKDONJSA-N -1 3 287.319 3.129 20 5 CGBDHM CCC[C@H](CC)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596223414 347400952 /nfs/dbraw/zinc/40/09/52/347400952.db2.gz NWOMAOZLGGETRD-QMMMGPOBSA-N -1 3 256.327 3.366 20 5 CGBDHM O=c1[n-]ccc(NCC(C2CCC2)C2CCC2)c1[N+](=O)[O-] ZINC000599117113 347717667 /nfs/dbraw/zinc/71/76/67/347717667.db2.gz LXZPLQOCSNSMBF-UHFFFAOYSA-N -1 3 291.351 3.324 20 5 CGBDHM CCc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1C(C)C ZINC000601938056 347926241 /nfs/dbraw/zinc/92/62/41/347926241.db2.gz GJOIRQNGDISOBM-CQSZACIVSA-N -1 3 289.335 3.288 20 5 CGBDHM Cc1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000109739401 370364515 /nfs/dbraw/zinc/36/45/15/370364515.db2.gz KUTKZVCJOGCHOB-UHFFFAOYSA-N -1 3 297.723 3.265 20 5 CGBDHM Cc1nc(Sc2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000130417471 371031509 /nfs/dbraw/zinc/03/15/09/371031509.db2.gz XIGNTJBZSGUUEC-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM Cc1cscc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154421840 371844390 /nfs/dbraw/zinc/84/43/90/371844390.db2.gz RJDRVXFOUPUQDP-UHFFFAOYSA-N -1 3 268.319 3.279 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(C1)CCCCC2 ZINC000353658990 220233324 /nfs/dbraw/zinc/23/33/24/220233324.db2.gz YIOSFIACLNGAKH-UHFFFAOYSA-N -1 3 290.363 3.457 20 5 CGBDHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1[N+](=O)[O-] ZINC000179551769 373886468 /nfs/dbraw/zinc/88/64/68/373886468.db2.gz IIKMOZHBQOOEPM-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM C[C@@H]1CC[C@@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000339082082 376667619 /nfs/dbraw/zinc/66/76/19/376667619.db2.gz PYUXWRHWAKODJB-MLGOLLRUSA-N -1 3 290.363 3.313 20 5 CGBDHM C[C@H]1CCC[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338984059 376611604 /nfs/dbraw/zinc/61/16/04/376611604.db2.gz PTPDWDYOHIISAF-QWRGUYRKSA-N -1 3 264.325 3.063 20 5 CGBDHM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000339051068 376647612 /nfs/dbraw/zinc/64/76/12/376647612.db2.gz SVBQCWPWWKWKMU-NWDGAFQWSA-N -1 3 278.352 3.168 20 5 CGBDHM Cc1noc(C)c1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346010056 378437935 /nfs/dbraw/zinc/43/79/35/378437935.db2.gz PIOPHVBGVCYWRM-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000113702099 392383380 /nfs/dbraw/zinc/38/33/80/392383380.db2.gz JPZQVRXYVYAQJC-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CC(C)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338998651 392940192 /nfs/dbraw/zinc/94/01/92/392940192.db2.gz ZGCFHIXURWHTFV-AWEZNQCLSA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn([C@H](C)C3CC3)c2)n1 ZINC000189158643 270070792 /nfs/dbraw/zinc/07/07/92/270070792.db2.gz PPMXQGNPXNJHEZ-SNVBAGLBSA-N -1 3 287.323 3.209 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(C(C)C)c2)n1 ZINC000567192114 322153893 /nfs/dbraw/zinc/15/38/93/322153893.db2.gz PVUCZYSDBCLWTO-UHFFFAOYSA-N -1 3 275.312 3.128 20 5 CGBDHM CC[C@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C ZINC000413258326 529295465 /nfs/dbraw/zinc/29/54/65/529295465.db2.gz GMWOBKRKWCJSHB-QMMMGPOBSA-N -1 3 293.302 3.348 20 5 CGBDHM CCC(CC)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736351072 572784499 /nfs/dbraw/zinc/78/44/99/572784499.db2.gz PYLAYPWTAISWHH-UHFFFAOYSA-N -1 3 293.352 3.056 20 5 CGBDHM CCC(CC)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736351072 572784501 /nfs/dbraw/zinc/78/45/01/572784501.db2.gz PYLAYPWTAISWHH-UHFFFAOYSA-N -1 3 293.352 3.056 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ocnc1C(F)F ZINC001124393651 803021411 /nfs/dbraw/zinc/02/14/11/803021411.db2.gz IKUQCFIEOHCRIM-UHFFFAOYSA-N -1 3 297.217 3.081 20 5 CGBDHM O=[N+]([O-])c1ccc([N-]c2cc(-c3ccccn3)no2)cc1 ZINC001174477321 809032278 /nfs/dbraw/zinc/03/22/78/809032278.db2.gz MSPFJUPDZFNBSB-UHFFFAOYSA-N -1 3 282.259 3.388 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2C(F)(F)F)c1 ZINC001199818957 811600991 /nfs/dbraw/zinc/60/09/91/811600991.db2.gz ILFPOVFFIGLZSF-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(-c3ccco3)no2)c1 ZINC001199818543 811601115 /nfs/dbraw/zinc/60/11/15/811601115.db2.gz CZYWUIAPCDSDAW-UHFFFAOYSA-N -1 3 287.231 3.292 20 5 CGBDHM CCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199819282 811601167 /nfs/dbraw/zinc/60/11/67/811601167.db2.gz NTQYXKIPMJCSGL-UHFFFAOYSA-N -1 3 259.265 3.001 20 5 CGBDHM O=[N+]([O-])c1cc(Nc2ccc([O-])c(F)c2)ccc1F ZINC001211192732 814844547 /nfs/dbraw/zinc/84/45/47/814844547.db2.gz KLOAECJVUNNAGQ-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1Nc1ccc(F)cc1[O-] ZINC001211288515 814871667 /nfs/dbraw/zinc/87/16/67/814871667.db2.gz VHPZWOJTWGTPAD-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM CCCC(=O)[C@@H](CCC)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333501 817331334 /nfs/dbraw/zinc/33/13/34/817331334.db2.gz LBSZPYVJBBUDFP-CYBMUJFWSA-N -1 3 281.308 3.217 20 5 CGBDHM C[C@@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)[C@H]1C ZINC001227689636 817694163 /nfs/dbraw/zinc/69/41/63/817694163.db2.gz AYYQUAZLRZFLMY-YWVKMMECSA-N -1 3 290.323 3.070 20 5 CGBDHM CC(C)CCC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690682 817694560 /nfs/dbraw/zinc/69/45/60/817694560.db2.gz JMRJGKSHEREIHG-JTQLQIEISA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccs1 ZINC001227693553 817695446 /nfs/dbraw/zinc/69/54/46/817695446.db2.gz VVXMKACADKTKJO-SSDOTTSWSA-N -1 3 290.304 3.068 20 5 CGBDHM CC(C)C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227692371 817695708 /nfs/dbraw/zinc/69/57/08/817695708.db2.gz YEEZMUYRFYFAPJ-LLVKDONJSA-N -1 3 292.339 3.316 20 5 CGBDHM C[C@H]1CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@H](C)C1 ZINC001227692167 817696398 /nfs/dbraw/zinc/69/63/98/817696398.db2.gz UVZBDMYIWRMGFI-RKDXNWHRSA-N -1 3 290.323 3.070 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC001228684816 817971861 /nfs/dbraw/zinc/97/18/61/817971861.db2.gz RPAXPQBWVCJMDQ-JTQLQIEISA-N -1 3 274.276 3.144 20 5 CGBDHM O=c1[n-]ccc(Oc2cc(F)cc(Cl)c2)c1[N+](=O)[O-] ZINC001458512597 937466870 /nfs/dbraw/zinc/46/68/70/937466870.db2.gz BZBUKVAJMCNKGS-UHFFFAOYSA-N -1 3 284.630 3.280 20 5 CGBDHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000153542966 346145358 /nfs/dbraw/zinc/14/53/58/346145358.db2.gz PPQFMASHHJYBOU-UHFFFAOYSA-N -1 3 298.707 3.268 20 5 CGBDHM Cc1cc2c(cc1C)N(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596231242 347401658 /nfs/dbraw/zinc/40/16/58/347401658.db2.gz OEWYLQNPEYESNM-UHFFFAOYSA-N -1 3 285.303 3.006 20 5 CGBDHM CC[C@@H]1CCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596249673 347404149 /nfs/dbraw/zinc/40/41/49/347404149.db2.gz JYCKSGLUBHSNIX-MNOVXSKESA-N -1 3 279.340 3.324 20 5 CGBDHM CC[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596135240 347387231 /nfs/dbraw/zinc/38/72/31/347387231.db2.gz GKLSZCPSJPTDTM-ZJUUUORDSA-N -1 3 265.313 3.076 20 5 CGBDHM C[C@@H]1[C@H](c2ccccc2)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155978 347391098 /nfs/dbraw/zinc/39/10/98/347391098.db2.gz XPKCANUZBCHBFP-DGCLKSJQSA-N -1 3 299.330 3.078 20 5 CGBDHM O=C([N-]c1cccc2ocnc21)c1ccc([N+](=O)[O-])s1 ZINC000341589173 216024427 /nfs/dbraw/zinc/02/44/27/216024427.db2.gz SGQMJEGYVKLWDL-UHFFFAOYSA-N -1 3 289.272 3.050 20 5 CGBDHM CCCn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C1CC1 ZINC000450643669 240015755 /nfs/dbraw/zinc/01/57/55/240015755.db2.gz RBJYWUAWJSTPDC-UHFFFAOYSA-N -1 3 293.352 3.279 20 5 CGBDHM Cc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c([O-])c1 ZINC000040887335 369167184 /nfs/dbraw/zinc/16/71/84/369167184.db2.gz DHAPFNUZXMTREC-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=[N+]([O-])c1ccccc1NCc1ccc([O-])c(F)c1 ZINC000083451632 370004947 /nfs/dbraw/zinc/00/49/47/370004947.db2.gz VLRKJELDYVDGJJ-UHFFFAOYSA-N -1 3 262.240 3.052 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000338894269 376563333 /nfs/dbraw/zinc/56/33/33/376563333.db2.gz XHOIDXCBDMTVSU-IUODEOHRSA-N -1 3 290.363 3.455 20 5 CGBDHM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000339715284 376819112 /nfs/dbraw/zinc/81/91/12/376819112.db2.gz GHLZWPCAOARVPL-HIFRSBDPSA-N -1 3 290.363 3.311 20 5 CGBDHM Cc1cc(C(=O)Nc2cccc([O-])c2F)ccc1[N+](=O)[O-] ZINC000128954862 287321438 /nfs/dbraw/zinc/32/14/38/287321438.db2.gz SUWUKTRGLVHURM-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000179551358 260055045 /nfs/dbraw/zinc/05/50/45/260055045.db2.gz KXRJSCOSGCNPBN-JXMROGBWSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000175609812 335188790 /nfs/dbraw/zinc/18/87/90/335188790.db2.gz PHESEILUILULII-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CCC(CC)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000577513679 335363173 /nfs/dbraw/zinc/36/31/73/335363173.db2.gz VAVZYXBWHHBRLD-UHFFFAOYSA-N -1 3 278.352 3.453 20 5 CGBDHM O=C([N-]c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000578589107 335651794 /nfs/dbraw/zinc/65/17/94/335651794.db2.gz QZYQDOUWZPQTTB-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000903311646 621684682 /nfs/dbraw/zinc/68/46/82/621684682.db2.gz QTYZQJPVZZAJDX-IUCAKERBSA-N -1 3 293.348 3.169 20 5 CGBDHM O=[N+]([O-])c1c(Sc2cccc([O-])c2)nc2ccccn21 ZINC000754088650 626475136 /nfs/dbraw/zinc/47/51/36/626475136.db2.gz SIZBSJCUJRSNON-UHFFFAOYSA-N -1 3 287.300 3.099 20 5 CGBDHM CCc1ncsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000136773106 637409736 /nfs/dbraw/zinc/40/97/36/637409736.db2.gz ZMGYPGWBYFILPC-UHFFFAOYSA-N -1 3 295.295 3.005 20 5 CGBDHM CCc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001161980055 806495645 /nfs/dbraw/zinc/49/56/45/806495645.db2.gz VXHAUMDOVFGRSR-UHFFFAOYSA-N -1 3 259.265 3.001 20 5 CGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1sccc1F ZINC001125337506 803057776 /nfs/dbraw/zinc/05/77/76/803057776.db2.gz MJUJANQGTLCRRO-UHFFFAOYSA-N -1 3 284.243 3.187 20 5 CGBDHM O=c1cc(Nc2ccc(C=C[N+](=O)[O-])cc2)nc(C2CC2)[n-]1 ZINC001175899165 809566799 /nfs/dbraw/zinc/56/67/99/809566799.db2.gz LVTMIGARVYOUQA-BQYQJAHWSA-N -1 3 298.302 3.051 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001199828509 811601287 /nfs/dbraw/zinc/60/12/87/811601287.db2.gz KQQNXSHWFPFWMU-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM C[C@@H](O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222773 811798975 /nfs/dbraw/zinc/79/89/75/811798975.db2.gz QTEYHLDVFLDKHV-SECBINFHSA-N -1 3 274.276 3.097 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-n3cccn3)cc2)c1 ZINC001201223193 811798992 /nfs/dbraw/zinc/79/89/92/811798992.db2.gz WTWXACZWBFNLSA-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM Nc1cc(Cl)cc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229786 811801922 /nfs/dbraw/zinc/80/19/22/811801922.db2.gz SKYVROXYSOEQAM-UHFFFAOYSA-N -1 3 297.673 3.419 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2cccc(F)c2[O-])c1F ZINC001215297308 815504343 /nfs/dbraw/zinc/50/43/43/815504343.db2.gz GVZHAJDEXGBGMS-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CCCC[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665465 817132831 /nfs/dbraw/zinc/13/28/31/817132831.db2.gz AGVKPPICOTXIMC-VIFPVBQESA-N -1 3 254.286 3.043 20 5 CGBDHM CCCC[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692972 817696229 /nfs/dbraw/zinc/69/62/29/817696229.db2.gz HTALAQHNHLZEQJ-VIFPVBQESA-N -1 3 278.312 3.214 20 5 CGBDHM CC[C@H](C)[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747302 817711981 /nfs/dbraw/zinc/71/19/81/817711981.db2.gz ZQZIZBVYZDXYSM-DTWKUNHWSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@H](C)[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747302 817711983 /nfs/dbraw/zinc/71/19/83/817711983.db2.gz ZQZIZBVYZDXYSM-DTWKUNHWSA-N -1 3 263.297 3.285 20 5 CGBDHM C[C@H](Oc1ncc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001227983630 817773137 /nfs/dbraw/zinc/77/31/37/817773137.db2.gz QJXBCENLIKKFAE-QMMMGPOBSA-N -1 3 294.694 3.489 20 5 CGBDHM CCC1CCC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])CC1 ZINC001228689106 817973844 /nfs/dbraw/zinc/97/38/44/817973844.db2.gz PTLDPDBDKAEDKQ-UHFFFAOYSA-N -1 3 280.324 3.351 20 5 CGBDHM CCc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1[O-] ZINC001304253392 932847585 /nfs/dbraw/zinc/84/75/85/932847585.db2.gz ZQMPUTOFTWWIMC-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM Cc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000220847085 346296875 /nfs/dbraw/zinc/29/68/75/346296875.db2.gz QWUYMONLTMXEJC-VURMDHGXSA-N -1 3 298.298 3.261 20 5 CGBDHM CC(C)CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000593734927 347109338 /nfs/dbraw/zinc/10/93/38/347109338.db2.gz ORLHSOQDOJYDNZ-UHFFFAOYSA-N -1 3 294.351 3.159 20 5 CGBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000596173624 347394775 /nfs/dbraw/zinc/39/47/75/347394775.db2.gz YYFZZVYIJMIVTQ-UHFFFAOYSA-N -1 3 279.340 3.324 20 5 CGBDHM Cc1c([N-]c2ncc(F)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000601135246 347873227 /nfs/dbraw/zinc/87/32/27/347873227.db2.gz CWROXYULMOJMEO-UHFFFAOYSA-N -1 3 293.302 3.033 20 5 CGBDHM CC(C)c1coc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000602399044 347954126 /nfs/dbraw/zinc/95/41/26/347954126.db2.gz RPBBOUWFQGKRTN-UHFFFAOYSA-N -1 3 281.293 3.020 20 5 CGBDHM Cc1noc(C(F)F)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000610420770 348382488 /nfs/dbraw/zinc/38/24/88/348382488.db2.gz OKBQMPKOCQAMGP-UHFFFAOYSA-N -1 3 297.217 3.081 20 5 CGBDHM O=C([N-]c1cccc(F)c1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000125375760 138382301 /nfs/dbraw/zinc/38/23/01/138382301.db2.gz YSXLNTMAPXWZSK-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM O=[N+]([O-])c1ccsc1NCc1ccc([O-])c(F)c1 ZINC000301993585 201290546 /nfs/dbraw/zinc/29/05/46/201290546.db2.gz GSJPZFDUUKJFOW-UHFFFAOYSA-N -1 3 268.269 3.113 20 5 CGBDHM CC(C)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000052772737 369472058 /nfs/dbraw/zinc/47/20/58/369472058.db2.gz SVYHUDWHEWANNW-UHFFFAOYSA-N -1 3 281.293 3.020 20 5 CGBDHM CC[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330563526 374481424 /nfs/dbraw/zinc/48/14/24/374481424.db2.gz DIDIBVBBVFJAGG-LBPRGKRZSA-N -1 3 264.325 3.065 20 5 CGBDHM O=C([N-]c1nc(C2CCC2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000277843929 379248717 /nfs/dbraw/zinc/24/87/17/379248717.db2.gz ZPDAXBKXBVNXNM-UHFFFAOYSA-N -1 3 293.304 3.164 20 5 CGBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1C ZINC000436755305 533614256 /nfs/dbraw/zinc/61/42/56/533614256.db2.gz MXDZTIBUYIOQNW-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=C([N-]c1ccncc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181823234 392737968 /nfs/dbraw/zinc/73/79/68/392737968.db2.gz KVJMDMVXOHRRPH-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM C[C@@H]1CCC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000343090527 393017850 /nfs/dbraw/zinc/01/78/50/393017850.db2.gz FJDXNGNZYMICRB-UHIISALHSA-N -1 3 278.352 3.215 20 5 CGBDHM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1[O-] ZINC000499614505 393801039 /nfs/dbraw/zinc/80/10/39/393801039.db2.gz IAUFLTWTMVDJGT-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([O-])c1F ZINC000573191796 322374660 /nfs/dbraw/zinc/37/46/60/322374660.db2.gz RXCCRMWHBGRJBY-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000387568168 327344298 /nfs/dbraw/zinc/34/42/98/327344298.db2.gz WDQCFZGPLDOFMT-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM CCc1onc(C)c1[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000089400507 523059519 /nfs/dbraw/zinc/05/95/19/523059519.db2.gz UGEPMYVXTWWRPK-UHFFFAOYSA-N -1 3 289.291 3.014 20 5 CGBDHM COc1ccc(Nc2ccc([O-])c(F)c2F)c([N+](=O)[O-])c1 ZINC001248475006 804937045 /nfs/dbraw/zinc/93/70/45/804937045.db2.gz KXMCYXZEYFSXAU-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM COC(=O)c1ccc([N-]c2ccc(C)cc2[N+](=O)[O-])o1 ZINC001214167494 815376363 /nfs/dbraw/zinc/37/63/63/815376363.db2.gz LADFVIUORXUCNZ-UHFFFAOYSA-N -1 3 276.248 3.026 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(Cl)n2)c1 ZINC001199801685 811598366 /nfs/dbraw/zinc/59/83/66/811598366.db2.gz GNRQKUQAYCTIJL-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2C2CC2)c1 ZINC001199819569 811600042 /nfs/dbraw/zinc/60/00/42/811600042.db2.gz YPXXFFFWUOPYLL-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828719 811601189 /nfs/dbraw/zinc/60/11/89/811601189.db2.gz QIQYRXKFSOXYNT-UHFFFAOYSA-N -1 3 260.249 3.053 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2OC(F)F)c1 ZINC001199819265 811601340 /nfs/dbraw/zinc/60/13/40/811601340.db2.gz NEOFEUUZBLIQJS-UHFFFAOYSA-N -1 3 297.217 3.040 20 5 CGBDHM CCOc1ccc(N)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221995 811799707 /nfs/dbraw/zinc/79/97/07/811799707.db2.gz HRHHIPMUAOSQQH-UHFFFAOYSA-N -1 3 289.291 3.025 20 5 CGBDHM Nc1cc(Cl)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201232028 811802814 /nfs/dbraw/zinc/80/28/14/811802814.db2.gz OBBLDOMKVCWVAL-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc([O-])c(F)c2)c1F ZINC001215294747 815504224 /nfs/dbraw/zinc/50/42/24/815504224.db2.gz JQEBBYAEDMMDSX-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CC[C@H](C)C[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666085 817132358 /nfs/dbraw/zinc/13/23/58/817132358.db2.gz GDTLRDGFNCCOQF-UWVGGRQHSA-N -1 3 268.313 3.289 20 5 CGBDHM CCC[C@H](C)[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665000 817132537 /nfs/dbraw/zinc/13/25/37/817132537.db2.gz WMLVOWBZSQVWCI-ONGXEEELSA-N -1 3 268.313 3.289 20 5 CGBDHM CC(C)CCC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666781 817132935 /nfs/dbraw/zinc/13/29/35/817132935.db2.gz MFLCDIWRFZVCKK-SNVBAGLBSA-N -1 3 268.313 3.289 20 5 CGBDHM C[C@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227742848 817709277 /nfs/dbraw/zinc/70/92/77/817709277.db2.gz DJNUXECWFHSKCR-JGZJWPJOSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227742848 817709282 /nfs/dbraw/zinc/70/92/82/817709282.db2.gz DJNUXECWFHSKCR-JGZJWPJOSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H]1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227742500 817709651 /nfs/dbraw/zinc/70/96/51/817709651.db2.gz AKSYAGUVIJVFEC-SCZZXKLOSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227742500 817709654 /nfs/dbraw/zinc/70/96/54/817709654.db2.gz AKSYAGUVIJVFEC-SCZZXKLOSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001227983627 817773104 /nfs/dbraw/zinc/77/31/04/817773104.db2.gz QJXBCENLIKKFAE-MRVPVSSYSA-N -1 3 294.694 3.489 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3CCC[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228671249 817968710 /nfs/dbraw/zinc/96/87/10/817968710.db2.gz FVBYKJBJHNZWIB-SDBXPKJASA-N -1 3 275.308 3.347 20 5 CGBDHM C[C@H]1CCCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737779 347109501 /nfs/dbraw/zinc/10/95/01/347109501.db2.gz UDIGLNKKPLDGNX-NSHDSACASA-N -1 3 292.335 3.058 20 5 CGBDHM O=c1[n-]ccc(N[C@@H](C2CCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000596287439 347410831 /nfs/dbraw/zinc/41/08/31/347410831.db2.gz SNAAQCIYKLNZOQ-CYBMUJFWSA-N -1 3 291.351 3.466 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000596056253 347378086 /nfs/dbraw/zinc/37/80/86/347378086.db2.gz VJOJALYRAJNDCM-GFCCVEGCSA-N -1 3 285.303 3.185 20 5 CGBDHM O=c1[n-]ccc(NCCC2CCCCC2)c1[N+](=O)[O-] ZINC000596075015 347379718 /nfs/dbraw/zinc/37/97/18/347379718.db2.gz WWORTZXOPVHGGT-UHFFFAOYSA-N -1 3 265.313 3.078 20 5 CGBDHM C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596102948 347383872 /nfs/dbraw/zinc/38/38/72/347383872.db2.gz FKPSVMGDKMOHRQ-LLVKDONJSA-N -1 3 287.319 3.301 20 5 CGBDHM Cc1ccc(CC[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596139920 347387876 /nfs/dbraw/zinc/38/78/76/347387876.db2.gz XSCHRSIQOFTZJM-VIFPVBQESA-N -1 3 291.307 3.030 20 5 CGBDHM C[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596204828 347398345 /nfs/dbraw/zinc/39/83/45/347398345.db2.gz YYNYEDGAQCYWEN-VHSXEESVSA-N -1 3 265.313 3.076 20 5 CGBDHM Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C(C)C ZINC000597894819 347600494 /nfs/dbraw/zinc/60/04/94/347600494.db2.gz OMHPUSMTHUFFRG-UHFFFAOYSA-N -1 3 295.320 3.328 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352636634 219538917 /nfs/dbraw/zinc/53/89/17/219538917.db2.gz ILYCDRJTNLPQIZ-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM CC(C)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000010637929 368585342 /nfs/dbraw/zinc/58/53/42/368585342.db2.gz NLAADNUGKCEKMZ-UHFFFAOYSA-N -1 3 297.361 3.489 20 5 CGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1sccc1F ZINC000334431259 374745596 /nfs/dbraw/zinc/74/55/96/374745596.db2.gz KGPMIFHZEDIGFQ-UHFFFAOYSA-N -1 3 284.243 3.187 20 5 CGBDHM C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339118561 376692828 /nfs/dbraw/zinc/69/28/28/376692828.db2.gz IZRHNZHBKXOBOJ-WOPDTQHZSA-N -1 3 278.352 3.167 20 5 CGBDHM COc1ccc([N-]C(=O)c2sccc2F)cc1[N+](=O)[O-] ZINC000346225860 378511151 /nfs/dbraw/zinc/51/11/51/378511151.db2.gz AMMHDGYEQXQJJU-UHFFFAOYSA-N -1 3 296.279 3.056 20 5 CGBDHM CCc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000080655546 287067312 /nfs/dbraw/zinc/06/73/12/287067312.db2.gz MNDQYLSYHPKCSG-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM Cc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000532263293 288359058 /nfs/dbraw/zinc/35/90/58/288359058.db2.gz KNLGPGMMRNEFOG-UHFFFAOYSA-N -1 3 299.261 3.358 20 5 CGBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])cc2ccccc21 ZINC001169737902 807701176 /nfs/dbraw/zinc/70/11/76/807701176.db2.gz XJCZCFLVKSGPPD-UHFFFAOYSA-N -1 3 295.298 3.461 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2Cl)c1 ZINC001199814411 811598134 /nfs/dbraw/zinc/59/81/34/811598134.db2.gz JGEDSTNGSXMDHH-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM CCc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199819160 811600595 /nfs/dbraw/zinc/60/05/95/811600595.db2.gz LPQULFCQTCYODF-UHFFFAOYSA-N -1 3 259.265 3.001 20 5 CGBDHM Cc1cc2cc(N)ccc2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828784 811600755 /nfs/dbraw/zinc/60/07/55/811600755.db2.gz SEAMXUPBCJLMFV-UHFFFAOYSA-N -1 3 283.287 3.135 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(OC(F)F)c2)c1 ZINC001199828783 811600773 /nfs/dbraw/zinc/60/07/73/811600773.db2.gz SCQKROHRLRDFPE-UHFFFAOYSA-N -1 3 297.217 3.040 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)cnc2Cl)c1 ZINC001199819155 811601053 /nfs/dbraw/zinc/60/10/53/811601053.db2.gz LNHKKXXNBMQEFX-UHFFFAOYSA-N -1 3 283.646 3.232 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(F)cc2F)c1 ZINC001201221778 811798845 /nfs/dbraw/zinc/79/88/45/811798845.db2.gz HCURSGVSNNHDMU-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3nsnc3c2)c1 ZINC001201223160 811799181 /nfs/dbraw/zinc/79/91/81/811799181.db2.gz VJSCPOOEIJVJKD-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1O ZINC001201221677 811799359 /nfs/dbraw/zinc/79/93/59/811799359.db2.gz FGEGZHCNHGXLDG-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM CC(=O)c1ccc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201223579 811800724 /nfs/dbraw/zinc/80/07/24/811800724.db2.gz BMTFMGPNDWYHSI-UHFFFAOYSA-N -1 3 290.250 3.386 20 5 CGBDHM COc1cc(F)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201224882 811801149 /nfs/dbraw/zinc/80/11/49/811801149.db2.gz VDPVTPNOYGZIEI-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001206144034 813211597 /nfs/dbraw/zinc/21/15/97/813211597.db2.gz BXSWODFOJAFFCF-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM O=[N+]([O-])c1cccc(Nc2cc([O-])c(F)cc2F)c1F ZINC001210383812 814435857 /nfs/dbraw/zinc/43/58/57/814435857.db2.gz ALTYIFLDJVQSRE-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001225664348 817133135 /nfs/dbraw/zinc/13/31/35/817133135.db2.gz NKSQJLUWGAJFIS-GFCCVEGCSA-N -1 3 292.266 3.365 20 5 CGBDHM CCCC(CCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668121 817133956 /nfs/dbraw/zinc/13/39/56/817133956.db2.gz YWNIPQWGQSUGET-UHFFFAOYSA-N -1 3 254.286 3.043 20 5 CGBDHM CCC(CC)[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667247 817134734 /nfs/dbraw/zinc/13/47/34/817134734.db2.gz QGANYZCTIWIUMV-LLVKDONJSA-N -1 3 268.313 3.289 20 5 CGBDHM CCCC/C=C/[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691597 817695605 /nfs/dbraw/zinc/69/56/05/817695605.db2.gz PVEZJNYRSMTUSE-FGEFZZPRSA-N -1 3 290.323 3.380 20 5 CGBDHM Cc1cc2[n-]c(OC3CCCCC3)nc2cc1[N+](=O)[O-] ZINC001228676266 817969857 /nfs/dbraw/zinc/96/98/57/817969857.db2.gz YCPHEXOVLIXOJM-UHFFFAOYSA-N -1 3 275.308 3.491 20 5 CGBDHM CSc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001307099324 932913619 /nfs/dbraw/zinc/91/36/19/932913619.db2.gz UNIAUGBHIZWYJQ-UHFFFAOYSA-N -1 3 291.332 3.029 20 5 CGBDHM C/C=C/C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001307974026 933029303 /nfs/dbraw/zinc/02/93/03/933029303.db2.gz MAVGRBKRFMYOOT-YWVDXFKGSA-N -1 3 290.363 3.479 20 5 CGBDHM CCc1cc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC001540231336 938129085 /nfs/dbraw/zinc/12/90/85/938129085.db2.gz ZXBXLWXUOQDSLZ-UHFFFAOYSA-N -1 3 295.682 3.051 20 5 CGBDHM CN(CCC1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596109785 347384656 /nfs/dbraw/zinc/38/46/56/347384656.db2.gz JMXLUDQSCNBHFR-UHFFFAOYSA-N -1 3 279.340 3.102 20 5 CGBDHM CC(C)(C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596133555 347386672 /nfs/dbraw/zinc/38/66/72/347386672.db2.gz XEBRZWLPOMOXJR-NSHDSACASA-N -1 3 293.367 3.348 20 5 CGBDHM CC[C@H](C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)on1 ZINC000131092482 371082847 /nfs/dbraw/zinc/08/28/47/371082847.db2.gz KOTYHYUKVWVCDH-VIFPVBQESA-N -1 3 289.291 3.349 20 5 CGBDHM Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c([O-])c1 ZINC000135015167 371384613 /nfs/dbraw/zinc/38/46/13/371384613.db2.gz LFQSRAANMVEQHJ-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000178188519 373752511 /nfs/dbraw/zinc/75/25/11/373752511.db2.gz WVPFKHWKTUEYTN-UHFFFAOYSA-N -1 3 295.302 3.228 20 5 CGBDHM CC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330563525 374480825 /nfs/dbraw/zinc/48/08/25/374480825.db2.gz DIDIBVBBVFJAGG-GFCCVEGCSA-N -1 3 264.325 3.065 20 5 CGBDHM Cc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1CCC(C)C ZINC000337020164 376060537 /nfs/dbraw/zinc/06/05/37/376060537.db2.gz QFZAPKLWPXNAGZ-UHFFFAOYSA-N -1 3 295.368 3.346 20 5 CGBDHM C[C@@H]1CC[C@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000339082084 376666744 /nfs/dbraw/zinc/66/67/44/376666744.db2.gz PYUXWRHWAKODJB-WBMJQRKESA-N -1 3 290.363 3.313 20 5 CGBDHM C[C@@H]1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339096808 376677119 /nfs/dbraw/zinc/67/71/19/376677119.db2.gz KQDAMUNKBRDUDI-SUNKGSAMSA-N -1 3 278.352 3.215 20 5 CGBDHM Cc1c([N-]c2ncc(C)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000346696773 378678886 /nfs/dbraw/zinc/67/88/86/378678886.db2.gz VHPTVQRGBUUQSG-UHFFFAOYSA-N -1 3 289.339 3.203 20 5 CGBDHM Cc1cc(NCc2ccc([O-])c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000360082118 381440577 /nfs/dbraw/zinc/44/05/77/381440577.db2.gz JPEHJNUBTOFZMC-UHFFFAOYSA-N -1 3 294.257 3.499 20 5 CGBDHM Cc1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000080657049 165156007 /nfs/dbraw/zinc/15/60/07/165156007.db2.gz WZAHGLZOKDBLNN-UHFFFAOYSA-N -1 3 276.267 3.360 20 5 CGBDHM Cc1ccc([O-])c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000316128641 270092664 /nfs/dbraw/zinc/09/26/64/270092664.db2.gz VAFZCIHMAZMILD-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000903311648 621684377 /nfs/dbraw/zinc/68/43/77/621684377.db2.gz QTYZQJPVZZAJDX-RKDXNWHRSA-N -1 3 293.348 3.169 20 5 CGBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000906274936 622206333 /nfs/dbraw/zinc/20/63/33/622206333.db2.gz BPLNHKWIFVEDGO-UHFFFAOYSA-N -1 3 289.291 3.267 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000752884955 626441511 /nfs/dbraw/zinc/44/15/11/626441511.db2.gz TUURACNONQTYMD-GORDUTHDSA-N -1 3 291.694 3.223 20 5 CGBDHM Cc1cc(Cl)ncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802500 811598410 /nfs/dbraw/zinc/59/84/10/811598410.db2.gz SHZVPSAMFYJVJH-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM CCCc1ccnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828766 811599829 /nfs/dbraw/zinc/59/98/29/811599829.db2.gz RTTDVADRURXFJE-UHFFFAOYSA-N -1 3 273.292 3.392 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)c2F)c1 ZINC001199828831 811600112 /nfs/dbraw/zinc/60/01/12/811600112.db2.gz UZTVVSPVSNXFEW-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM COc1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001199819447 811600152 /nfs/dbraw/zinc/60/01/52/811600152.db2.gz RLHTYTHKDQMMLB-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnccc2OC(F)F)c1 ZINC001199828774 811601250 /nfs/dbraw/zinc/60/12/50/811601250.db2.gz RXECRSHQAHXDCF-UHFFFAOYSA-N -1 3 297.217 3.040 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2-n2cccn2)c1 ZINC001201221844 811799292 /nfs/dbraw/zinc/79/92/92/811799292.db2.gz IXVMDSGVPDXXDW-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM COc1ccc(OC)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221477 811799368 /nfs/dbraw/zinc/79/93/68/811799368.db2.gz CIBHWEDZJJLJEC-UHFFFAOYSA-N -1 3 290.275 3.061 20 5 CGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(F)c1F ZINC001201231444 811800102 /nfs/dbraw/zinc/80/01/02/811800102.db2.gz IHXDPARJAXCFAG-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM C[C@H](O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229330 811800895 /nfs/dbraw/zinc/80/08/95/811800895.db2.gz LVWGCDXIXRRVPH-VIFPVBQESA-N -1 3 274.276 3.097 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3nnsc32)c1 ZINC001201229200 811801873 /nfs/dbraw/zinc/80/18/73/811801873.db2.gz HGTRMGSBWDFGPY-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM O=[N+]([O-])c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001204456356 812645343 /nfs/dbraw/zinc/64/53/43/812645343.db2.gz LHEQCGNPWWXJAQ-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc2c(s1)CCC2 ZINC001210950189 814688556 /nfs/dbraw/zinc/68/85/56/814688556.db2.gz TVSAGQUIZOYXRK-UHFFFAOYSA-N -1 3 279.296 3.423 20 5 CGBDHM CC(=O)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226334294 817330489 /nfs/dbraw/zinc/33/04/89/817330489.db2.gz SVLROIPONZBMED-AWEZNQCLSA-N -1 3 287.271 3.010 20 5 CGBDHM CC(C)=CCC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690025 817694306 /nfs/dbraw/zinc/69/43/06/817694306.db2.gz DSELEHDNFJDVBY-JTQLQIEISA-N -1 3 290.323 3.380 20 5 CGBDHM CCC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)[C@@H](C)CC ZINC001227692326 817695437 /nfs/dbraw/zinc/69/54/37/817695437.db2.gz WPIHZMIBHXXJRG-ONGXEEELSA-N -1 3 292.339 3.460 20 5 CGBDHM CC(C)CC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691579 817695634 /nfs/dbraw/zinc/69/56/34/817695634.db2.gz PQALBMSMKYTSJX-VIFPVBQESA-N -1 3 278.312 3.070 20 5 CGBDHM C[C@@H]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747169 817712316 /nfs/dbraw/zinc/71/23/16/817712316.db2.gz XXBDVYXIOQEUGO-MWLCHTKSSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747169 817712321 /nfs/dbraw/zinc/71/23/21/817712321.db2.gz XXBDVYXIOQEUGO-MWLCHTKSSA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H](C)C3CCC3)nc2cc1[N+](=O)[O-] ZINC001228675545 817969899 /nfs/dbraw/zinc/96/98/99/817969899.db2.gz QKPVEMOQXIICSQ-VIFPVBQESA-N -1 3 275.308 3.347 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001228685565 817971931 /nfs/dbraw/zinc/97/19/31/817971931.db2.gz IAMLGAGNMVYYFV-JTQLQIEISA-N -1 3 288.303 3.014 20 5 CGBDHM Cc1ccccc1[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685198 817971959 /nfs/dbraw/zinc/97/19/59/817971959.db2.gz DTZPHFGKDPDXLD-LLVKDONJSA-N -1 3 288.303 3.452 20 5 CGBDHM CCCCC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685803 817972049 /nfs/dbraw/zinc/97/20/49/817972049.db2.gz KLPGGNGSYYWMFS-VIFPVBQESA-N -1 3 268.313 3.351 20 5 CGBDHM C[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001233496875 818627401 /nfs/dbraw/zinc/62/74/01/818627401.db2.gz CEKKICSUAGDKMV-ZCFIWIBFSA-N -1 3 281.699 3.302 20 5 CGBDHM O=C([N-]c1c(F)cc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000072507378 345411097 /nfs/dbraw/zinc/41/10/97/345411097.db2.gz RYHSNFQSKYPHAD-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM CCc1onc(C)c1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000089408730 345769509 /nfs/dbraw/zinc/76/95/09/345769509.db2.gz CSNTVLALJHHVLA-UHFFFAOYSA-N -1 3 289.291 3.014 20 5 CGBDHM CC[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596239996 347403087 /nfs/dbraw/zinc/40/30/87/347403087.db2.gz OEIYSIRNNQVQHJ-MGCOHNPYSA-N -1 3 265.313 3.076 20 5 CGBDHM C[C@@H]1CCCC[C@@H]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127751 347386107 /nfs/dbraw/zinc/38/61/07/347386107.db2.gz DLYDYGSTVDOTBV-GHMZBOCLSA-N -1 3 279.340 3.324 20 5 CGBDHM C[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000596424675 347453755 /nfs/dbraw/zinc/45/37/55/347453755.db2.gz LHYFAPGZMCCOCY-URLYPYJESA-N -1 3 279.340 3.180 20 5 CGBDHM C[C@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000599167151 347722455 /nfs/dbraw/zinc/72/24/55/347722455.db2.gz PKJVOGDBSIOLJT-LLVKDONJSA-N -1 3 293.367 3.348 20 5 CGBDHM O=C([N-]c1cnoc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000604542445 348123570 /nfs/dbraw/zinc/12/35/70/348123570.db2.gz BCYOWTCLYNNWTK-UHFFFAOYSA-N -1 3 289.272 3.050 20 5 CGBDHM CCc1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000608870260 348332935 /nfs/dbraw/zinc/33/29/35/348332935.db2.gz GKXAIYZAEYDJBM-UHFFFAOYSA-N -1 3 295.295 3.005 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN(CC1CC1)C1CCC1 ZINC000619434501 349249766 /nfs/dbraw/zinc/24/97/66/349249766.db2.gz ZJUJAUPOKWAQLX-UHFFFAOYSA-N -1 3 276.336 3.065 20 5 CGBDHM Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[O-] ZINC000019838926 368770096 /nfs/dbraw/zinc/77/00/96/368770096.db2.gz XQOBNVFJEMOBDP-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000050178614 369430216 /nfs/dbraw/zinc/43/02/16/369430216.db2.gz DRKSKDMXMAJTJW-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C ZINC000337004637 376054545 /nfs/dbraw/zinc/05/45/45/376054545.db2.gz YOKGVFLGQVDMHS-SSDOTTSWSA-N -1 3 281.341 3.271 20 5 CGBDHM CC(C)C[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338942302 376588418 /nfs/dbraw/zinc/58/84/18/376588418.db2.gz KQKIQLCEQMDKFS-ZDUSSCGKSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@H]1CCCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339000804 376621540 /nfs/dbraw/zinc/62/15/40/376621540.db2.gz WNKUHYSKCFXUGP-NSHDSACASA-N -1 3 264.325 3.065 20 5 CGBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000339084934 376669189 /nfs/dbraw/zinc/66/91/89/376669189.db2.gz SORCBYFHTDKPGK-LBPRGKRZSA-N -1 3 276.336 3.089 20 5 CGBDHM CCC[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339088978 376672946 /nfs/dbraw/zinc/67/29/46/376672946.db2.gz KRYJFSDBOOPJJS-CYBMUJFWSA-N -1 3 278.352 3.455 20 5 CGBDHM C[C@@H]1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339096810 376677514 /nfs/dbraw/zinc/67/75/14/376677514.db2.gz KQDAMUNKBRDUDI-UHIISALHSA-N -1 3 278.352 3.215 20 5 CGBDHM O=C(Nc1cccc([O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000349934469 379452080 /nfs/dbraw/zinc/45/20/80/379452080.db2.gz HDUQRHLCDQOPPA-UHFFFAOYSA-N -1 3 298.254 3.299 20 5 CGBDHM Cc1cccnc1-c1nc2cc3ccccc3cc2c(=O)[n-]1 ZINC000193911411 392889283 /nfs/dbraw/zinc/88/92/83/392889283.db2.gz JDQKNLYINKVSFU-UHFFFAOYSA-N -1 3 287.322 3.447 20 5 CGBDHM O=c1[n-]c(-c2ccccn2)nc2cc3ccccc3cc21 ZINC000077256551 329922435 /nfs/dbraw/zinc/92/24/35/329922435.db2.gz PYVFSQFSSVUCQZ-UHFFFAOYSA-N -1 3 273.295 3.138 20 5 CGBDHM CCC(CC)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736351522 572784272 /nfs/dbraw/zinc/78/42/72/572784272.db2.gz RDHCOULKIFFZFR-UHFFFAOYSA-N -1 3 293.352 3.056 20 5 CGBDHM CCC(CC)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736351522 572784276 /nfs/dbraw/zinc/78/42/76/572784276.db2.gz RDHCOULKIFFZFR-UHFFFAOYSA-N -1 3 293.352 3.056 20 5 CGBDHM CC(C)Cc1coc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000894444295 619539305 /nfs/dbraw/zinc/53/93/05/619539305.db2.gz GYTNZWTWDTUKLJ-UHFFFAOYSA-N -1 3 295.320 3.095 20 5 CGBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C3CCCC3)c2)s1 ZINC000895889101 619901768 /nfs/dbraw/zinc/90/17/68/619901768.db2.gz SXCHSNDCPVZCQU-UHFFFAOYSA-N -1 3 279.325 3.107 20 5 CGBDHM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)oc1C ZINC000122305029 633365668 /nfs/dbraw/zinc/36/56/68/633365668.db2.gz OELFQXGVTMTQPA-UHFFFAOYSA-N -1 3 296.229 3.335 20 5 CGBDHM CCOc1ccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC001251386474 805889447 /nfs/dbraw/zinc/88/94/47/805889447.db2.gz ZJIRCCDUNPJQIR-UHFFFAOYSA-N -1 3 299.286 3.242 20 5 CGBDHM Cc1nc2ccccn2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815266 811600213 /nfs/dbraw/zinc/60/02/13/811600213.db2.gz YBSSZMVMDHRBEA-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001199828775 811600374 /nfs/dbraw/zinc/60/03/74/811600374.db2.gz SAMFPNRAFGLGGB-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM Cc1ccc(O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222972 811798986 /nfs/dbraw/zinc/79/89/86/811798986.db2.gz UQNYOBRZAUXOIF-UHFFFAOYSA-N -1 3 260.249 3.058 20 5 CGBDHM O=[N+]([O-])c1ccccc1[N-]c1nc(F)ccc1F ZINC001206150319 813213604 /nfs/dbraw/zinc/21/36/04/813213604.db2.gz NJJMVBJETDTRFB-UHFFFAOYSA-N -1 3 251.192 3.012 20 5 CGBDHM Cc1cccc2c1[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])CC2 ZINC001225661793 817131376 /nfs/dbraw/zinc/13/13/76/817131376.db2.gz PFCKPTRWIAKWDS-LBPRGKRZSA-N -1 3 286.287 3.070 20 5 CGBDHM CCCCCC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666730 817132963 /nfs/dbraw/zinc/13/29/63/817132963.db2.gz LOXOSMAEDNDJSZ-JTQLQIEISA-N -1 3 268.313 3.433 20 5 CGBDHM O=[N+]([O-])c1cccc([O-])c1O[C@H]1CCCc2cccnc21 ZINC001226336990 817331202 /nfs/dbraw/zinc/33/12/02/817331202.db2.gz UOKKPZAOMHPNHU-ZDUSSCGKSA-N -1 3 286.287 3.152 20 5 CGBDHM CC(C)=CCC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690026 817694551 /nfs/dbraw/zinc/69/45/51/817694551.db2.gz DSELEHDNFJDVBY-SNVBAGLBSA-N -1 3 290.323 3.380 20 5 CGBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCCC1 ZINC001227743496 817709493 /nfs/dbraw/zinc/70/94/93/817709493.db2.gz QZFJFOWVTIEVCA-VIFPVBQESA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCCC1 ZINC001227743496 817709497 /nfs/dbraw/zinc/70/94/97/817709497.db2.gz QZFJFOWVTIEVCA-VIFPVBQESA-N -1 3 275.308 3.429 20 5 CGBDHM CCCC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746062 817710366 /nfs/dbraw/zinc/71/03/66/817710366.db2.gz PSBHUXTURSFTSI-SECBINFHSA-N -1 3 263.297 3.429 20 5 CGBDHM CCCC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746062 817710372 /nfs/dbraw/zinc/71/03/72/817710372.db2.gz PSBHUXTURSFTSI-SECBINFHSA-N -1 3 263.297 3.429 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3CCC[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228671245 817968071 /nfs/dbraw/zinc/96/80/71/817968071.db2.gz FVBYKJBJHNZWIB-ISVAXAHUSA-N -1 3 275.308 3.347 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3CC[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672814 817968362 /nfs/dbraw/zinc/96/83/62/817968362.db2.gz BEKLXKJYGNNOCW-WPRPVWTQSA-N -1 3 275.308 3.347 20 5 CGBDHM O=c1[n-]ccc(NCc2ccc3occc3c2)c1[N+](=O)[O-] ZINC001307160590 932923060 /nfs/dbraw/zinc/92/30/60/932923060.db2.gz OFRAPTLNMNDVQT-UHFFFAOYSA-N -1 3 285.259 3.054 20 5 CGBDHM O=c1[n-]ccc(NCC2CCCCCC2)c1[N+](=O)[O-] ZINC000596254090 347405481 /nfs/dbraw/zinc/40/54/81/347405481.db2.gz HVOUEWYYHHMZFD-UHFFFAOYSA-N -1 3 265.313 3.078 20 5 CGBDHM O=c1[n-]ccc(NC[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000596071777 347379314 /nfs/dbraw/zinc/37/93/14/347379314.db2.gz XQNBELDRIZHDPF-GFCCVEGCSA-N -1 3 299.330 3.227 20 5 CGBDHM CC[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596135238 347387486 /nfs/dbraw/zinc/38/74/86/347387486.db2.gz GKLSZCPSJPTDTM-UWVGGRQHSA-N -1 3 265.313 3.076 20 5 CGBDHM O=C([N-]c1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000158562941 321818613 /nfs/dbraw/zinc/81/86/13/321818613.db2.gz KIVMXMBRJHPNLX-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM C[C@H]1CCC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338913605 376573345 /nfs/dbraw/zinc/57/33/45/376573345.db2.gz WOJQQTGRKACXJF-WCQYABFASA-N -1 3 278.352 3.311 20 5 CGBDHM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000338935388 376583771 /nfs/dbraw/zinc/58/37/71/376583771.db2.gz SWLYWVZCFVDRQX-UHFFFAOYSA-N -1 3 266.341 3.168 20 5 CGBDHM C[C@@H]1CCC[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339005114 376623379 /nfs/dbraw/zinc/62/33/79/376623379.db2.gz KLLHMYTTYSSSCN-NWDGAFQWSA-N -1 3 278.352 3.311 20 5 CGBDHM C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339118558 376692110 /nfs/dbraw/zinc/69/21/10/376692110.db2.gz IZRHNZHBKXOBOJ-GRYCIOLGSA-N -1 3 278.352 3.167 20 5 CGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccoc1Cl ZINC000236139121 393032596 /nfs/dbraw/zinc/03/25/96/393032596.db2.gz SWLVKBYBEVPDJQ-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000088147495 640615203 /nfs/dbraw/zinc/61/52/03/640615203.db2.gz ZQADBEYXVYEORF-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Nc1ccc(Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001209934931 814203552 /nfs/dbraw/zinc/20/35/52/814203552.db2.gz IXVVFCGRBSEARA-UHFFFAOYSA-N -1 3 279.683 3.280 20 5 CGBDHM Cc1nc2ccccn2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393398 814441105 /nfs/dbraw/zinc/44/11/05/814441105.db2.gz SHMVNKZBOBJLRJ-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001225742256 817163999 /nfs/dbraw/zinc/16/39/99/817163999.db2.gz IQFVEACUVXSGBN-SECBINFHSA-N -1 3 291.332 3.122 20 5 CGBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccs1 ZINC001227693554 817695462 /nfs/dbraw/zinc/69/54/62/817695462.db2.gz VVXMKACADKTKJO-ZETCQYMHSA-N -1 3 290.304 3.068 20 5 CGBDHM CC1(C)[C@@H]2C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C[C@@H]21 ZINC001227746851 817710701 /nfs/dbraw/zinc/71/07/01/817710701.db2.gz WDVSSEFMKLXYLO-RTCCRHLQSA-N -1 3 287.319 3.285 20 5 CGBDHM CC1(C)[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C[C@@H]21 ZINC001227746851 817710705 /nfs/dbraw/zinc/71/07/05/817710705.db2.gz WDVSSEFMKLXYLO-RTCCRHLQSA-N -1 3 287.319 3.285 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC001228689699 817973530 /nfs/dbraw/zinc/97/35/30/817973530.db2.gz WSRLDUYEMGSLGS-SNVBAGLBSA-N -1 3 280.324 3.351 20 5 CGBDHM CCc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1[O-] ZINC001540362735 938130422 /nfs/dbraw/zinc/13/04/22/938130422.db2.gz UYWVHVHTCDDMBZ-UHFFFAOYSA-N -1 3 286.287 3.115 20 5 CGBDHM Cc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000213939086 346288321 /nfs/dbraw/zinc/28/83/21/346288321.db2.gz HDYKNHRYBINLDA-CLFYSBASSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1ccccc1C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596092131 347382469 /nfs/dbraw/zinc/38/24/69/347382469.db2.gz KNANZPRVLKNBAI-NSHDSACASA-N -1 3 287.319 3.047 20 5 CGBDHM Cc1ccccc1[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596224891 347401138 /nfs/dbraw/zinc/40/11/38/347401138.db2.gz JSTQFYFJNZMAJV-HAQNSBGRSA-N -1 3 299.330 3.362 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000601251903 347886006 /nfs/dbraw/zinc/88/60/06/347886006.db2.gz MGVPDZUVGBARBE-LBPRGKRZSA-N -1 3 291.351 3.102 20 5 CGBDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000291968462 198119695 /nfs/dbraw/zinc/11/96/95/198119695.db2.gz XJMQBFUZYIERTP-SECBINFHSA-N -1 3 281.312 3.002 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)c1 ZINC000088724784 138342711 /nfs/dbraw/zinc/34/27/11/138342711.db2.gz GJBVGTHLOIRFID-UHFFFAOYSA-N -1 3 276.267 3.360 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC([O-])=NOC/C=C/Cl ZINC000289836070 371835979 /nfs/dbraw/zinc/83/59/79/371835979.db2.gz QNDBKWLGENFVNQ-ONEGZZNKSA-N -1 3 299.714 3.017 20 5 CGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[N-]OC/C=C/Cl ZINC000289836070 371835983 /nfs/dbraw/zinc/83/59/83/371835983.db2.gz QNDBKWLGENFVNQ-ONEGZZNKSA-N -1 3 299.714 3.017 20 5 CGBDHM C[C@H]([N-]c1nnc(C(F)F)o1)c1ccccc1[N+](=O)[O-] ZINC000293084006 372296130 /nfs/dbraw/zinc/29/61/30/372296130.db2.gz OFPNXOMPJSUOHM-LURJTMIESA-N -1 3 284.222 3.089 20 5 CGBDHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])cc([N+](=O)[O-])c1 ZINC000183035326 374359677 /nfs/dbraw/zinc/35/96/77/374359677.db2.gz IAVJCOKAHGIDJT-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM CC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338995970 376617955 /nfs/dbraw/zinc/61/79/55/376617955.db2.gz BHPOGMYNIQVLKK-LBPRGKRZSA-N -1 3 278.352 3.313 20 5 CGBDHM O=C([N-]c1nccc2sccc21)c1ccc([N+](=O)[O-])o1 ZINC000162677739 392599193 /nfs/dbraw/zinc/59/91/93/392599193.db2.gz RYOKIVLVRDJSGY-UHFFFAOYSA-N -1 3 289.272 3.050 20 5 CGBDHM CC[C@@H]1CCCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339002667 392938944 /nfs/dbraw/zinc/93/89/44/392938944.db2.gz BLTPMACSDACODJ-CYBMUJFWSA-N -1 3 278.352 3.455 20 5 CGBDHM C[C@H]1CCCC[C@H]1N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000438990317 571721143 /nfs/dbraw/zinc/72/11/43/571721143.db2.gz IKVHTBJOSUYCHB-SMDDNHRTSA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC001199802476 811599501 /nfs/dbraw/zinc/59/95/01/811599501.db2.gz QYWWLDWDPPVMJP-UHFFFAOYSA-N -1 3 290.323 3.304 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(OC(F)F)c2)c1 ZINC001199818533 811601224 /nfs/dbraw/zinc/60/12/24/811601224.db2.gz COYTUWGWXHMEKN-UHFFFAOYSA-N -1 3 297.217 3.040 20 5 CGBDHM Cc1cc(N)cc2c1ccn2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224143 811801386 /nfs/dbraw/zinc/80/13/86/811801386.db2.gz JCWGRSXRRPREGY-UHFFFAOYSA-N -1 3 283.287 3.135 20 5 CGBDHM O=[N+]([O-])c1cc(F)cc(Nc2ccc([O-])c(F)c2)c1 ZINC001216483916 815838842 /nfs/dbraw/zinc/83/88/42/815838842.db2.gz TVNAQFCTTRAKLK-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM CC1(C)CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666770 817133160 /nfs/dbraw/zinc/13/31/60/817133160.db2.gz MDLYPOCRHFQNPF-SECBINFHSA-N -1 3 266.297 3.043 20 5 CGBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225667037 817134882 /nfs/dbraw/zinc/13/48/82/817134882.db2.gz OMXMGAPIUGGCLB-SSDOTTSWSA-N -1 3 296.229 3.114 20 5 CGBDHM CC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)(C)C ZINC001228685346 817972093 /nfs/dbraw/zinc/97/20/93/817972093.db2.gz GFBRUIKNUQBVCX-JTQLQIEISA-N -1 3 268.313 3.207 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccccc2F)c1[N+](=O)[O-] ZINC001228687694 817972996 /nfs/dbraw/zinc/97/29/96/817972996.db2.gz ZQCVKQULJMZYMG-VIFPVBQESA-N -1 3 292.266 3.283 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC001228686141 817973138 /nfs/dbraw/zinc/97/31/38/817973138.db2.gz LRIZBJQSODVRJH-QMMMGPOBSA-N -1 3 280.305 3.205 20 5 CGBDHM CC(C)c1coc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001531420897 938081671 /nfs/dbraw/zinc/08/16/71/938081671.db2.gz ZETFLNTXLCFKKE-UHFFFAOYSA-N -1 3 293.254 3.098 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc2ccc(F)cc2c(=O)[n-]1 ZINC000053856194 345125555 /nfs/dbraw/zinc/12/55/55/345125555.db2.gz JETFOMTZLIFNOK-UHFFFAOYSA-N -1 3 299.261 3.358 20 5 CGBDHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731592 347109606 /nfs/dbraw/zinc/10/96/06/347109606.db2.gz DUAAXFTXDLPYTC-GHMZBOCLSA-N -1 3 292.335 3.056 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596281225 347410211 /nfs/dbraw/zinc/41/02/11/347410211.db2.gz JSAQUESFWWHYNV-WDEREUQCSA-N -1 3 277.324 3.076 20 5 CGBDHM O=c1[n-]ccc(N2CCC[C@@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000596075183 347379916 /nfs/dbraw/zinc/37/99/16/347379916.db2.gz FIHVUWACSWXYRH-SNVBAGLBSA-N -1 3 291.332 3.098 20 5 CGBDHM C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151561 347390413 /nfs/dbraw/zinc/39/04/13/347390413.db2.gz SBXMXURIAIKZRY-ZJUUUORDSA-N -1 3 279.340 3.322 20 5 CGBDHM CCC1(CC)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596478047 347464383 /nfs/dbraw/zinc/46/43/83/347464383.db2.gz DRZSZVRCAISAAC-UHFFFAOYSA-N -1 3 279.340 3.102 20 5 CGBDHM CCC(CC)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596526591 347474055 /nfs/dbraw/zinc/47/40/55/347474055.db2.gz QMFGBBUBOYHVGA-UHFFFAOYSA-N -1 3 281.356 3.348 20 5 CGBDHM O=c1cc(C=Cc2ccccc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC000352008668 219285967 /nfs/dbraw/zinc/28/59/67/219285967.db2.gz QXRGEAUGPLKXCQ-FPLPWBNLSA-N -1 3 283.287 3.138 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC([O-])=NOC1CCCC1 ZINC000271855451 191370875 /nfs/dbraw/zinc/37/08/75/191370875.db2.gz SJBKUFGBPWPUIB-UHFFFAOYSA-N -1 3 293.323 3.207 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OC1CCCC1 ZINC000271855451 191370878 /nfs/dbraw/zinc/37/08/78/191370878.db2.gz SJBKUFGBPWPUIB-UHFFFAOYSA-N -1 3 293.323 3.207 20 5 CGBDHM CCCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000180240029 189245393 /nfs/dbraw/zinc/24/53/93/189245393.db2.gz RJWBQOPUCRPHPE-UHFFFAOYSA-N -1 3 297.361 3.318 20 5 CGBDHM Cc1cnc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000130420461 371031186 /nfs/dbraw/zinc/03/11/86/371031186.db2.gz RVYLBNJKZQCPPT-UHFFFAOYSA-N -1 3 262.290 3.155 20 5 CGBDHM Cc1c([N-]S(=O)(=O)C2=CCCCC2)cccc1[N+](=O)[O-] ZINC000295295597 372730382 /nfs/dbraw/zinc/73/03/82/372730382.db2.gz JRBSIVIPSKGPFW-UHFFFAOYSA-N -1 3 296.348 3.103 20 5 CGBDHM CCCCn1ncc([N-]c2ncc(C)cc2[N+](=O)[O-])c1C ZINC000448105218 373547387 /nfs/dbraw/zinc/54/73/87/373547387.db2.gz PLZZNDTXMBUVLH-UHFFFAOYSA-N -1 3 289.339 3.347 20 5 CGBDHM CC[C@H](C)CN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339012338 376628603 /nfs/dbraw/zinc/62/86/03/376628603.db2.gz XXQYHUGIRFXXRJ-NSHDSACASA-N -1 3 266.341 3.168 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1[O-] ZINC000121725469 287202521 /nfs/dbraw/zinc/20/25/21/287202521.db2.gz ZKGKFSMOBOIYMD-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM C/C(=C\C(=O)Nc1ccccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000750813114 573181383 /nfs/dbraw/zinc/18/13/83/573181383.db2.gz DXVSLJMXHRWSRJ-ZHACJKMWSA-N -1 3 298.298 3.342 20 5 CGBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)c1C(C)C ZINC000899349686 620654268 /nfs/dbraw/zinc/65/42/68/620654268.db2.gz JUOJVQMUVPOMNL-GFCCVEGCSA-N -1 3 295.726 3.243 20 5 CGBDHM CSC1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000720525134 800260201 /nfs/dbraw/zinc/26/02/01/800260201.db2.gz NOFLDECHNNSIKK-UHFFFAOYSA-N -1 3 297.380 3.029 20 5 CGBDHM O=[N+]([O-])c1ccc([N-]c2cc(C(F)(F)F)no2)cc1 ZINC001174475303 809031383 /nfs/dbraw/zinc/03/13/83/809031383.db2.gz GJJXLYGZVODCRS-UHFFFAOYSA-N -1 3 273.170 3.345 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C(F)(F)F)cn2)c1 ZINC001199801396 811598645 /nfs/dbraw/zinc/59/86/45/811598645.db2.gz RHPUARAJUXTKQR-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM Cc1c(Cl)nccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818536 811600834 /nfs/dbraw/zinc/60/08/34/811600834.db2.gz CRWWIDJEIHTYIT-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM Nc1cc(F)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC001201232717 811802837 /nfs/dbraw/zinc/80/28/37/811802837.db2.gz UKMQBZJDXFIDIF-UHFFFAOYSA-N -1 3 297.673 3.419 20 5 CGBDHM CC(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1[O-] ZINC001206172158 813224668 /nfs/dbraw/zinc/22/46/68/813224668.db2.gz FIDOSVYLQLTKBH-UHFFFAOYSA-N -1 3 272.260 3.247 20 5 CGBDHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cccc([N+](=O)[O-])c1 ZINC001225340356 817018305 /nfs/dbraw/zinc/01/83/05/817018305.db2.gz JZDYRIFPEFIZBO-SNVBAGLBSA-N -1 3 299.282 3.310 20 5 CGBDHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1ccccc1[N+](=O)[O-] ZINC001225343148 817020190 /nfs/dbraw/zinc/02/01/90/817020190.db2.gz QMIOGAIHDCFVNF-SNVBAGLBSA-N -1 3 299.282 3.310 20 5 CGBDHM CC[C@@H](C)CC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666391 817132234 /nfs/dbraw/zinc/13/22/34/817132234.db2.gz HXKHQYNHURDTLC-NXEZZACHSA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001225664349 817132738 /nfs/dbraw/zinc/13/27/38/817132738.db2.gz NKSQJLUWGAJFIS-LBPRGKRZSA-N -1 3 292.266 3.365 20 5 CGBDHM CC[C@H]1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692885 817695539 /nfs/dbraw/zinc/69/55/39/817695539.db2.gz GYSXNKMPLCNECD-ONGXEEELSA-N -1 3 290.323 3.214 20 5 CGBDHM Cc1ccccc1[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685199 817971918 /nfs/dbraw/zinc/97/19/18/817971918.db2.gz DTZPHFGKDPDXLD-NSHDSACASA-N -1 3 288.303 3.452 20 5 CGBDHM Cc1ccc(NC(=O)c2c(F)cccc2[N+](=O)[O-])c([O-])c1 ZINC001540464124 938131476 /nfs/dbraw/zinc/13/14/76/938131476.db2.gz PZAWNHWPRJWCMQ-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338052069 214380367 /nfs/dbraw/zinc/38/03/67/214380367.db2.gz JGCIXJMVKOPNQG-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000338136048 214413871 /nfs/dbraw/zinc/41/38/71/214413871.db2.gz ZAFGBNLPNCNIPA-UHFFFAOYSA-N -1 3 297.723 3.265 20 5 CGBDHM CC1(C2CC2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339201083 215011455 /nfs/dbraw/zinc/01/14/55/215011455.db2.gz IXYVGYAEIDDZTN-UHFFFAOYSA-N -1 3 290.363 3.313 20 5 CGBDHM CC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596270326 347407998 /nfs/dbraw/zinc/40/79/98/347407998.db2.gz DGTKDNCPFITCPB-ZETCQYMHSA-N -1 3 293.245 3.086 20 5 CGBDHM CC(C)[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596107816 347384052 /nfs/dbraw/zinc/38/40/52/347384052.db2.gz PHBRDLXKVWEZGS-MNOVXSKESA-N -1 3 279.340 3.322 20 5 CGBDHM CCC[C@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596145699 347389594 /nfs/dbraw/zinc/38/95/94/347389594.db2.gz WXINEHDSZHEJIN-CQSZACIVSA-N -1 3 279.340 3.102 20 5 CGBDHM CC(C)CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596157401 347391759 /nfs/dbraw/zinc/39/17/59/347391759.db2.gz UUMXFJKUYIBFEU-UHFFFAOYSA-N -1 3 279.340 3.324 20 5 CGBDHM CC(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596159553 347391872 /nfs/dbraw/zinc/39/18/72/347391872.db2.gz OXXXLCULOWOFDC-UHFFFAOYSA-N -1 3 267.329 3.180 20 5 CGBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596585262 347482666 /nfs/dbraw/zinc/48/26/66/347482666.db2.gz PHYBYVPZXBIEGJ-UHFFFAOYSA-N -1 3 293.245 3.086 20 5 CGBDHM O=c1[n-]ccc(SC[C@@H]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000598646330 347675074 /nfs/dbraw/zinc/67/50/74/347675074.db2.gz FKTAFAVZOGKJJO-KXUCPTDWSA-N -1 3 280.349 3.224 20 5 CGBDHM CC[C@@H](C)n1ncc([N-]c2ncc(F)cc2[N+](=O)[O-])c1C ZINC000601153461 347875725 /nfs/dbraw/zinc/87/57/25/347875725.db2.gz YPAOXMDPYSPSNC-MRVPVSSYSA-N -1 3 293.302 3.348 20 5 CGBDHM Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c([O-])c1 ZINC000039535344 369152234 /nfs/dbraw/zinc/15/22/34/369152234.db2.gz CXCLUSKLVFNLQK-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000179541942 373883984 /nfs/dbraw/zinc/88/39/84/373883984.db2.gz CMFHNBRYZYQCMH-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)c(F)c1 ZINC000217494002 376174526 /nfs/dbraw/zinc/17/45/26/376174526.db2.gz KVDAVLDXHGYAED-UHFFFAOYSA-N -1 3 280.230 3.191 20 5 CGBDHM CC[C@@H](C)CN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339012335 376630146 /nfs/dbraw/zinc/63/01/46/376630146.db2.gz XXQYHUGIRFXXRJ-LLVKDONJSA-N -1 3 266.341 3.168 20 5 CGBDHM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000339076599 376662902 /nfs/dbraw/zinc/66/29/02/376662902.db2.gz YQUWXQZJZABLTI-ZDUSSCGKSA-N -1 3 266.341 3.215 20 5 CGBDHM Cc1sc(C(=O)Nc2ccc(C)cc2[O-])cc1[N+](=O)[O-] ZINC000340032651 376895125 /nfs/dbraw/zinc/89/51/25/376895125.db2.gz BDJKVUWZYHEPHP-UHFFFAOYSA-N -1 3 292.316 3.231 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000179551502 260054875 /nfs/dbraw/zinc/05/48/75/260054875.db2.gz SEMXMTVQLSZLKR-MDZDMXLPSA-N -1 3 298.298 3.261 20 5 CGBDHM Cc1cc(=O)[n-]c(C=Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000752884953 626441571 /nfs/dbraw/zinc/44/15/71/626441571.db2.gz TUURACNONQTYMD-DJWKRKHSSA-N -1 3 291.694 3.223 20 5 CGBDHM CC(C)C(C)(C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853535550 637864197 /nfs/dbraw/zinc/86/41/97/637864197.db2.gz ZDFXGLDBBCSMHV-UHFFFAOYSA-N -1 3 256.327 3.222 20 5 CGBDHM CCC[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001198430661 811502151 /nfs/dbraw/zinc/50/21/51/811502151.db2.gz SVRXGERWUDDVFL-LBPRGKRZSA-N -1 3 264.325 3.065 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)cc(F)c2F)c1 ZINC001201221578 811798868 /nfs/dbraw/zinc/79/88/68/811798868.db2.gz BFOGWEUBSPLVMX-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM COc1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222025 811799327 /nfs/dbraw/zinc/79/93/27/811799327.db2.gz IHGQSXPMLNJPHB-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1OC ZINC001201222819 811799731 /nfs/dbraw/zinc/79/97/31/811799731.db2.gz PPQZDWCKVJCDSG-UHFFFAOYSA-N -1 3 290.275 3.061 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(O)c2Cl)c1 ZINC001201223250 811801907 /nfs/dbraw/zinc/80/19/07/811801907.db2.gz UZQMYMBMWAZBTM-UHFFFAOYSA-N -1 3 280.667 3.403 20 5 CGBDHM COc1ccc([N+](=O)[O-])cc1Nc1c([O-])cccc1F ZINC001210446606 814460257 /nfs/dbraw/zinc/46/02/57/814460257.db2.gz LVHFRTWZCDXZFD-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1Nc1c([O-])cccc1F ZINC001211289028 814871806 /nfs/dbraw/zinc/87/18/06/814871806.db2.gz GTBHCDOGDYHWOC-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCc2ccccc21 ZINC001225662805 817131329 /nfs/dbraw/zinc/13/13/29/817131329.db2.gz ABRFGEYKWFHZLJ-CYBMUJFWSA-N -1 3 286.287 3.152 20 5 CGBDHM CC(C)[C@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225664134 817132650 /nfs/dbraw/zinc/13/26/50/817132650.db2.gz KDUUKBDCMZXDAN-XYPYZODXSA-N -1 3 280.324 3.289 20 5 CGBDHM C[C@@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@@H]1C ZINC001227691116 817694360 /nfs/dbraw/zinc/69/43/60/817694360.db2.gz MPIWVONVKVNHRK-UTLUCORTSA-N -1 3 290.323 3.070 20 5 CGBDHM Cc1ccccc1[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691376 817696215 /nfs/dbraw/zinc/69/62/15/817696215.db2.gz NGOKNCMXLZDRSD-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1nccs1 ZINC001227742813 817709518 /nfs/dbraw/zinc/70/95/18/817709518.db2.gz DBDFRZHIZZXHGO-ZETCQYMHSA-N -1 3 290.304 3.068 20 5 CGBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1nccs1 ZINC001227742813 817709523 /nfs/dbraw/zinc/70/95/23/817709523.db2.gz DBDFRZHIZZXHGO-ZETCQYMHSA-N -1 3 290.304 3.068 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H](C)C(C)C)nc2cc1[N+](=O)[O-] ZINC001228672908 817968842 /nfs/dbraw/zinc/96/88/42/817968842.db2.gz CPGRLAPQWMZZHE-VIFPVBQESA-N -1 3 263.297 3.203 20 5 CGBDHM CCC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)C ZINC001228685406 817971848 /nfs/dbraw/zinc/97/18/48/817971848.db2.gz HHOOAKIQCWGERO-SNVBAGLBSA-N -1 3 268.313 3.207 20 5 CGBDHM C/C=C\C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001307974024 933028913 /nfs/dbraw/zinc/02/89/13/933028913.db2.gz MAVGRBKRFMYOOT-XQJDBVBESA-N -1 3 290.363 3.479 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000072647035 345414760 /nfs/dbraw/zinc/41/47/60/345414760.db2.gz JAECZUQEEIGANG-UHFFFAOYSA-N -1 3 289.291 3.267 20 5 CGBDHM O=C([N-]c1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000076180293 345537715 /nfs/dbraw/zinc/53/77/15/345537715.db2.gz PPPKHFUQDFFLOT-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM O=c1[n-]ccc(NCC2(C3CCC3)CCC2)c1[N+](=O)[O-] ZINC000596267211 347407715 /nfs/dbraw/zinc/40/77/15/347407715.db2.gz ZRJTZOMAOKOMOY-UHFFFAOYSA-N -1 3 277.324 3.078 20 5 CGBDHM CC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596059340 347378354 /nfs/dbraw/zinc/37/83/54/347378354.db2.gz PDPNLBMGOLLSMX-LLVKDONJSA-N -1 3 287.319 3.301 20 5 CGBDHM CC[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596109753 347384752 /nfs/dbraw/zinc/38/47/52/347384752.db2.gz IDHFAYJPBKLUNO-NSHDSACASA-N -1 3 279.340 3.466 20 5 CGBDHM CCC(CC)(CC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596158572 347391903 /nfs/dbraw/zinc/39/19/03/347391903.db2.gz ZKPOPYGBHFBYLN-UHFFFAOYSA-N -1 3 267.329 3.324 20 5 CGBDHM CC(C)C1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596162366 347392344 /nfs/dbraw/zinc/39/23/44/347392344.db2.gz LRXYYSQBHFFASX-UHFFFAOYSA-N -1 3 279.340 3.322 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC2(CC2)CC1 ZINC000599672479 347763025 /nfs/dbraw/zinc/76/30/25/347763025.db2.gz HIRJGFFCTJJBIV-UHFFFAOYSA-N -1 3 276.336 3.067 20 5 CGBDHM Cc1cc([N+](=O)[O-])ccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000352020026 219290550 /nfs/dbraw/zinc/29/05/50/219290550.db2.gz FRYOFDWPMKLTTB-XQRVVYSFSA-N -1 3 297.314 3.447 20 5 CGBDHM Cc1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)sc1C ZINC000618642843 349133828 /nfs/dbraw/zinc/13/38/28/349133828.db2.gz BXRXXOICHNRUKO-UHFFFAOYSA-N -1 3 295.295 3.060 20 5 CGBDHM O=[N+]([O-])c1cc(NC([O-])=NOC2CCCC2)ccc1Cl ZINC000271760928 191311176 /nfs/dbraw/zinc/31/11/76/191311176.db2.gz CTVAYWSOIXQUIU-UHFFFAOYSA-N -1 3 299.714 3.244 20 5 CGBDHM O=C([N-]OC1CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271760928 191311178 /nfs/dbraw/zinc/31/11/78/191311178.db2.gz CTVAYWSOIXQUIU-UHFFFAOYSA-N -1 3 299.714 3.244 20 5 CGBDHM Cc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000436829314 237188407 /nfs/dbraw/zinc/18/84/07/237188407.db2.gz ORDDVXPDENVZGK-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)c1 ZINC000151656983 371622213 /nfs/dbraw/zinc/62/22/13/371622213.db2.gz NYTSJFPEXYMNBR-UHFFFAOYSA-N -1 3 292.241 3.434 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC([O-])=NOC/C=C/Cl ZINC000289989086 371870738 /nfs/dbraw/zinc/87/07/38/371870738.db2.gz OPEKGFUXVLYJGK-ZZXKWVIFSA-N -1 3 299.714 3.017 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OC/C=C/Cl ZINC000289989086 371870742 /nfs/dbraw/zinc/87/07/42/371870742.db2.gz OPEKGFUXVLYJGK-ZZXKWVIFSA-N -1 3 299.714 3.017 20 5 CGBDHM Cc1ccnc([N-]c2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000301310267 373741644 /nfs/dbraw/zinc/74/16/44/373741644.db2.gz ZEHWLPYJDYMONX-UHFFFAOYSA-N -1 3 295.302 3.228 20 5 CGBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000338907281 376566864 /nfs/dbraw/zinc/56/68/64/376566864.db2.gz IXKYEFXPQBOOFN-UHFFFAOYSA-N -1 3 278.352 3.455 20 5 CGBDHM CC(C)c1scnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000288919832 392411521 /nfs/dbraw/zinc/41/15/21/392411521.db2.gz SCYGYQPDQQTWDS-UHFFFAOYSA-N -1 3 297.361 3.489 20 5 CGBDHM Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000006839452 170248299 /nfs/dbraw/zinc/24/82/99/170248299.db2.gz HDYKNHRYBINLDA-VQHVLOKHSA-N -1 3 298.298 3.261 20 5 CGBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000549545512 289046029 /nfs/dbraw/zinc/04/60/29/289046029.db2.gz XPQJZUJATOWHGT-DIOULYMOSA-N -1 3 290.363 3.311 20 5 CGBDHM C[C@H](N(C)Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000549770430 289052912 /nfs/dbraw/zinc/05/29/12/289052912.db2.gz DPYQUWUAFURYTH-JTQLQIEISA-N -1 3 266.341 3.167 20 5 CGBDHM O=c1[n-]c(Oc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000750530896 573145910 /nfs/dbraw/zinc/14/59/10/573145910.db2.gz RYBPNLWYSORICT-UHFFFAOYSA-N -1 3 283.243 3.036 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000896975416 620115449 /nfs/dbraw/zinc/11/54/49/620115449.db2.gz CYZRQBCVSNYJPT-CYBMUJFWSA-N -1 3 299.330 3.055 20 5 CGBDHM Cc1ncc([N+](=O)[O-])cc1Nc1cnc2cccc([O-])c2c1 ZINC001249544578 805170254 /nfs/dbraw/zinc/17/02/54/805170254.db2.gz KCQHRQJHBJOWRJ-UHFFFAOYSA-N -1 3 296.286 3.296 20 5 CGBDHM Cc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001213661408 815319195 /nfs/dbraw/zinc/31/91/95/815319195.db2.gz FQASBIVZNRPKAG-UHFFFAOYSA-N -1 3 286.291 3.020 20 5 CGBDHM Cc1ccc([N-]c2noc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC001213659809 815318370 /nfs/dbraw/zinc/31/83/70/815318370.db2.gz APVVGOOXAMCMMG-UHFFFAOYSA-N -1 3 276.296 3.327 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnccc2C(F)(F)F)c1 ZINC001199801818 811599117 /nfs/dbraw/zinc/59/91/17/811599117.db2.gz JYNFIKYIFKIODR-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)ccc2F)c1 ZINC001199828278 811600330 /nfs/dbraw/zinc/60/03/30/811600330.db2.gz FIGPNNCLRLBIBR-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM CN(C)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001199828448 811600843 /nfs/dbraw/zinc/60/08/43/811600843.db2.gz IGVJOGKDFXVHBN-UHFFFAOYSA-N -1 3 273.292 3.110 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-c3nnco3)cc2)c1 ZINC001201222291 811798730 /nfs/dbraw/zinc/79/87/30/811798730.db2.gz LESFFWMASQEOOL-UHFFFAOYSA-N -1 3 298.258 3.094 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)c(F)c(F)c2)c1 ZINC001201222694 811798981 /nfs/dbraw/zinc/79/89/81/811798981.db2.gz PFUQYVZZXFVSGD-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3c(c2)COC3)c1 ZINC001201222409 811799010 /nfs/dbraw/zinc/79/90/10/811799010.db2.gz NVDLMRIZDFYJQT-UHFFFAOYSA-N -1 3 272.260 3.074 20 5 CGBDHM Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1F ZINC001201222386 811799128 /nfs/dbraw/zinc/79/91/28/811799128.db2.gz MRAJPHHKHVOTPQ-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c([N-]c2noc3cnccc32)c1F ZINC001215289026 815503677 /nfs/dbraw/zinc/50/36/77/815503677.db2.gz BLXIYTOLVSEESW-UHFFFAOYSA-N -1 3 292.201 3.153 20 5 CGBDHM CC[C@@H](C)C[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689740 817694277 /nfs/dbraw/zinc/69/42/77/817694277.db2.gz CRJILIDJYSCBCL-ZJUUUORDSA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccnc1 ZINC001227741671 817709773 /nfs/dbraw/zinc/70/97/73/817709773.db2.gz QEHGCYMVLGGBGA-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccnc1 ZINC001227741671 817709776 /nfs/dbraw/zinc/70/97/76/817709776.db2.gz QEHGCYMVLGGBGA-VIFPVBQESA-N -1 3 284.275 3.006 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H]3CCC(F)(F)C3)nc2cc1[N+](=O)[O-] ZINC001228677163 817969658 /nfs/dbraw/zinc/96/96/58/817969658.db2.gz OETQOPZZRKFBMQ-MRVPVSSYSA-N -1 3 297.261 3.346 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228687188 817973493 /nfs/dbraw/zinc/97/34/93/817973493.db2.gz UFNSJKXRNVPGRC-ATZCPNFKSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001228688060 817973762 /nfs/dbraw/zinc/97/37/62/817973762.db2.gz DAKBDAGWXYFQDP-ATZCPNFKSA-N -1 3 280.324 3.207 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2[O-])c1 ZINC000174943017 346246655 /nfs/dbraw/zinc/24/66/55/346246655.db2.gz LUHCMPPNBHYATF-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596129192 347385992 /nfs/dbraw/zinc/38/59/92/347385992.db2.gz PVBFFFAVXLHVSR-NSHDSACASA-N -1 3 287.319 3.485 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2C[C@@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000596142754 347388909 /nfs/dbraw/zinc/38/89/09/347388909.db2.gz VVWMRYSBAVZMLG-ZYHUDNBSSA-N -1 3 277.324 3.076 20 5 CGBDHM C[C@@H]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1C ZINC000596219151 347400559 /nfs/dbraw/zinc/40/05/59/347400559.db2.gz NQOFFUKXQZHDBN-MXWKQRLJSA-N -1 3 279.340 3.180 20 5 CGBDHM O=c1[n-]ccc(NC2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000596500803 347469461 /nfs/dbraw/zinc/46/94/61/347469461.db2.gz HZPQJZZEXRPURJ-UHFFFAOYSA-N -1 3 299.277 3.075 20 5 CGBDHM Cc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000486077571 243352096 /nfs/dbraw/zinc/35/20/96/243352096.db2.gz NRPLZTXGVRJCPO-DAXSKMNVSA-N -1 3 297.314 3.447 20 5 CGBDHM CN(Cc1cc([O-])cc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000186182806 374810509 /nfs/dbraw/zinc/81/05/09/374810509.db2.gz RDRITQYBFLQFDS-UHFFFAOYSA-N -1 3 290.294 3.072 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000338894268 376562253 /nfs/dbraw/zinc/56/22/53/376562253.db2.gz XHOIDXCBDMTVSU-DOMZBBRYSA-N -1 3 290.363 3.455 20 5 CGBDHM CC(C)(C)c1coc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000578376298 378063171 /nfs/dbraw/zinc/06/31/71/378063171.db2.gz XMQIGUOZIZWUFR-UHFFFAOYSA-N -1 3 295.320 3.194 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2ccccc2)C1 ZINC000507098874 285137572 /nfs/dbraw/zinc/13/75/72/285137572.db2.gz VSZVRFWGXPHQAA-CQSZACIVSA-N -1 3 298.342 3.290 20 5 CGBDHM Cc1cc2cccnc2c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000092506099 392232293 /nfs/dbraw/zinc/23/22/93/392232293.db2.gz SIBOEGYSDZQLPM-UHFFFAOYSA-N -1 3 297.270 3.297 20 5 CGBDHM O=C([N-]c1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1F ZINC000067089584 165036937 /nfs/dbraw/zinc/03/69/37/165036937.db2.gz JIUVEVGSLGTGCZ-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000040413322 174255001 /nfs/dbraw/zinc/25/50/01/174255001.db2.gz HEYQAFQLDKKXKI-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000778957888 628379945 /nfs/dbraw/zinc/37/99/45/628379945.db2.gz HXJWBNGBSHPIQU-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM C[C@@H](O[N-]C(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000842061506 635270904 /nfs/dbraw/zinc/27/09/04/635270904.db2.gz YIQFDDLJSULENN-SNVBAGLBSA-N -1 3 280.324 3.140 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2ccc([O-])c(F)c2)c1 ZINC001175736604 809523978 /nfs/dbraw/zinc/52/39/78/809523978.db2.gz CFFTVEZHLSPIOV-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM Cc1ccc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828451 811601141 /nfs/dbraw/zinc/60/11/41/811601141.db2.gz IJCMZOOJGSCNCL-UHFFFAOYSA-N -1 3 262.240 3.492 20 5 CGBDHM Cc1noc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc12 ZINC001201222578 811798786 /nfs/dbraw/zinc/79/87/86/811798786.db2.gz PBLRSZVCRVSMPE-UHFFFAOYSA-N -1 3 285.259 3.494 20 5 CGBDHM CC(=O)Nc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223225 811799697 /nfs/dbraw/zinc/79/96/97/811799697.db2.gz YJLIEKQRZYUOCX-UHFFFAOYSA-N -1 3 287.275 3.002 20 5 CGBDHM O=[N+]([O-])c1ccccc1[N-]c1nc2c(s1)CCC2 ZINC001206140272 813210408 /nfs/dbraw/zinc/21/04/08/813210408.db2.gz OHALRTCJDYYYLC-UHFFFAOYSA-N -1 3 261.306 3.284 20 5 CGBDHM O=[N+]([O-])c1cccc(Nc2ccc([O-])c(F)c2)c1F ZINC001210379519 814433225 /nfs/dbraw/zinc/43/32/25/814433225.db2.gz AFACFFFGXFPTFX-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM Cc1cn2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccc2n1 ZINC001210394229 814441852 /nfs/dbraw/zinc/44/18/52/814441852.db2.gz SPLBVYISUCRZFY-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM CC[C@@H]1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692883 817696262 /nfs/dbraw/zinc/69/62/62/817696262.db2.gz GYSXNKMPLCNECD-KOLCDFICSA-N -1 3 290.323 3.214 20 5 CGBDHM CC[C@H](C)[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747305 817711817 /nfs/dbraw/zinc/71/18/17/817711817.db2.gz ZQZIZBVYZDXYSM-IUCAKERBSA-N -1 3 263.297 3.285 20 5 CGBDHM CC[C@H](C)[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747305 817711824 /nfs/dbraw/zinc/71/18/24/817711824.db2.gz ZQZIZBVYZDXYSM-IUCAKERBSA-N -1 3 263.297 3.285 20 5 CGBDHM C/C=C/C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001307974022 933028560 /nfs/dbraw/zinc/02/85/60/933028560.db2.gz MAVGRBKRFMYOOT-IBUXWKBASA-N -1 3 290.363 3.479 20 5 CGBDHM O=C([N-]c1c(F)cccc1F)c1csc([N+](=O)[O-])c1 ZINC000042567486 344985392 /nfs/dbraw/zinc/98/53/92/344985392.db2.gz DNBUFLZLIXYAPL-UHFFFAOYSA-N -1 3 284.243 3.187 20 5 CGBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)(C)C ZINC000339209036 215015987 /nfs/dbraw/zinc/01/59/87/215015987.db2.gz UNMDGFYFHAICGH-UHFFFAOYSA-N -1 3 266.341 3.168 20 5 CGBDHM C[C@@H]1CCC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596128812 347385970 /nfs/dbraw/zinc/38/59/70/347385970.db2.gz NSYVQMZAVMKEBC-MNOVXSKESA-N -1 3 279.340 3.324 20 5 CGBDHM O=c1[n-]ccc(Oc2cccc3c2CCCC3)c1[N+](=O)[O-] ZINC000596154132 347391260 /nfs/dbraw/zinc/39/12/60/347391260.db2.gz XWXZCEVWMOOFSO-UHFFFAOYSA-N -1 3 286.287 3.367 20 5 CGBDHM CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCCC1 ZINC000596183785 347395310 /nfs/dbraw/zinc/39/53/10/347395310.db2.gz BLJAJTYDQQYFFJ-UHFFFAOYSA-N -1 3 279.340 3.468 20 5 CGBDHM O=c1[n-]ccc(NC2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596537357 347475990 /nfs/dbraw/zinc/47/59/90/347475990.db2.gz DGANUTQKRJRHFH-UHFFFAOYSA-N -1 3 291.351 3.466 20 5 CGBDHM O=[N+]([O-])c1c[nH]c(-c2csc(-c3ccccc3[O-])n2)c1 ZINC000436748688 237175488 /nfs/dbraw/zinc/17/54/88/237175488.db2.gz QBHCBMNWRXGQMN-UHFFFAOYSA-N -1 3 287.300 3.419 20 5 CGBDHM C[C@H](NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153458857 371768983 /nfs/dbraw/zinc/76/89/83/371768983.db2.gz RVKMSGFAWREKEE-JTQLQIEISA-N -1 3 290.294 3.290 20 5 CGBDHM CC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338995968 376617715 /nfs/dbraw/zinc/61/77/15/376617715.db2.gz BHPOGMYNIQVLKK-GFCCVEGCSA-N -1 3 278.352 3.313 20 5 CGBDHM C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339118559 376691947 /nfs/dbraw/zinc/69/19/47/376691947.db2.gz IZRHNZHBKXOBOJ-IJLUTSLNSA-N -1 3 278.352 3.167 20 5 CGBDHM O=[N+]([O-])c1cccc2ncnc(Sc3ccc([O-])cc3)c21 ZINC000357337519 381112047 /nfs/dbraw/zinc/11/20/47/381112047.db2.gz OUTQGJQASWHLCS-UHFFFAOYSA-N -1 3 299.311 3.395 20 5 CGBDHM O=c1[nH]c(-c2ccc([O-])cc2)nc2cc3ccccc3cc21 ZINC000077256556 334100369 /nfs/dbraw/zinc/10/03/69/334100369.db2.gz ANJLMUIEGKRBOJ-UHFFFAOYSA-N -1 3 288.306 3.449 20 5 CGBDHM Cc1cc([N-]c2ccn(-c3ccccc3)n2)ncc1[N+](=O)[O-] ZINC000746389168 572868615 /nfs/dbraw/zinc/86/86/15/572868615.db2.gz STSORHADMFMAHU-UHFFFAOYSA-N -1 3 295.302 3.228 20 5 CGBDHM O=C([N-]c1ccncc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000122699445 633493255 /nfs/dbraw/zinc/49/32/55/633493255.db2.gz JXXDPGSLLUMDKK-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1c(Cl)cccc1[N+](=O)[O-] ZINC001142016989 804687119 /nfs/dbraw/zinc/68/71/19/804687119.db2.gz TYCQHARBQGHDEZ-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM Cc1ccnc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802526 811598594 /nfs/dbraw/zinc/59/85/94/811598594.db2.gz UBPBDBHMBYIZAP-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM C[C@H](O)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828915 811600002 /nfs/dbraw/zinc/60/00/02/811600002.db2.gz YUFIJVLAMWYDIG-VIFPVBQESA-N -1 3 274.276 3.097 20 5 CGBDHM Cc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC001199815195 811601045 /nfs/dbraw/zinc/60/10/45/811601045.db2.gz WAINJWRGTCBESW-UHFFFAOYSA-N -1 3 259.265 3.056 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(C3CC3)c2)c1 ZINC001199828761 811601179 /nfs/dbraw/zinc/60/11/79/811601179.db2.gz RRVIBWDHRSHDBV-UHFFFAOYSA-N -1 3 271.276 3.316 20 5 CGBDHM COCOc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201225060 811801326 /nfs/dbraw/zinc/80/13/26/811801326.db2.gz ZHHKILNTQOOFGI-UHFFFAOYSA-N -1 3 290.275 3.027 20 5 CGBDHM O=[N+]([O-])c1ccccc1[N-]c1nsc2ncccc12 ZINC001206150295 813213540 /nfs/dbraw/zinc/21/35/40/813213540.db2.gz MNKWPJRHVQIBMG-UHFFFAOYSA-N -1 3 272.289 3.343 20 5 CGBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1c(F)cccc1F ZINC001225661521 817131113 /nfs/dbraw/zinc/13/11/13/817131113.db2.gz MFGAVFYOMBXMEP-ZETCQYMHSA-N -1 3 296.229 3.114 20 5 CGBDHM O=[N+]([O-])c1cnc(OC2CCCCCCC2)c2[n-]cnc21 ZINC001227692347 817695927 /nfs/dbraw/zinc/69/59/27/817695927.db2.gz XEZXBWMMCVVSFG-UHFFFAOYSA-N -1 3 290.323 3.358 20 5 CGBDHM CCC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)[C@@H](C)CC ZINC001227692323 817696187 /nfs/dbraw/zinc/69/61/87/817696187.db2.gz WPIHZMIBHXXJRG-GXSJLCMTSA-N -1 3 292.339 3.460 20 5 CGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccncc1 ZINC001227741031 817709107 /nfs/dbraw/zinc/70/91/07/817709107.db2.gz HBMVKZFWHAYRBL-SECBINFHSA-N -1 3 284.275 3.006 20 5 CGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccncc1 ZINC001227741031 817709111 /nfs/dbraw/zinc/70/91/11/817709111.db2.gz HBMVKZFWHAYRBL-SECBINFHSA-N -1 3 284.275 3.006 20 5 CGBDHM CCC[C@@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744625 817710874 /nfs/dbraw/zinc/71/08/74/817710874.db2.gz HGRHNJGRQXTBAF-SNVBAGLBSA-N -1 3 263.297 3.429 20 5 CGBDHM CCC[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744625 817710877 /nfs/dbraw/zinc/71/08/77/817710877.db2.gz HGRHNJGRQXTBAF-SNVBAGLBSA-N -1 3 263.297 3.429 20 5 CGBDHM Cc1cc2[n-]c(O[C@H](C)c3ccccn3)nc2cc1[N+](=O)[O-] ZINC001228672801 817968680 /nfs/dbraw/zinc/96/86/80/817968680.db2.gz BBDFUIZADPGKOZ-SNVBAGLBSA-N -1 3 298.302 3.315 20 5 CGBDHM CCCC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595631257 981835137 /nfs/dbraw/zinc/83/51/37/981835137.db2.gz IOJNUDLFXQEUED-NSHDSACASA-N -1 3 294.351 3.304 20 5 CGBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000063446822 345246479 /nfs/dbraw/zinc/24/64/79/345246479.db2.gz DYAUHGBCFARMKX-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000092590127 345846925 /nfs/dbraw/zinc/84/69/25/345846925.db2.gz RVMKWTFYNZPAQI-NSHDSACASA-N -1 3 266.341 3.167 20 5 CGBDHM C[C@H]1CCCC[C@@H]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127754 347386063 /nfs/dbraw/zinc/38/60/63/347386063.db2.gz DLYDYGSTVDOTBV-WDEREUQCSA-N -1 3 279.340 3.324 20 5 CGBDHM Cc1cccc([C@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596145399 347388510 /nfs/dbraw/zinc/38/85/10/347388510.db2.gz LLSJSTCIECEULR-LLVKDONJSA-N -1 3 287.319 3.219 20 5 CGBDHM O=c1[n-]ccc(NCCCCC2CCCC2)c1[N+](=O)[O-] ZINC000596143217 347389001 /nfs/dbraw/zinc/38/90/01/347389001.db2.gz QQMNMTUOHFIHKH-UHFFFAOYSA-N -1 3 279.340 3.468 20 5 CGBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000596162158 347392274 /nfs/dbraw/zinc/39/22/74/347392274.db2.gz DJVHPABHTKTTJI-UHFFFAOYSA-N -1 3 279.340 3.100 20 5 CGBDHM O=c1[n-]ccc(N[C@H]2CCCc3sccc32)c1[N+](=O)[O-] ZINC000596195188 347397035 /nfs/dbraw/zinc/39/70/35/347397035.db2.gz KHUURIWAGXLSDW-VIFPVBQESA-N -1 3 291.332 3.246 20 5 CGBDHM CC[C@@H](C)CO[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000292141612 198178904 /nfs/dbraw/zinc/17/89/04/198178904.db2.gz RALBZUQDOGQWDP-SECBINFHSA-N -1 3 298.364 3.024 20 5 CGBDHM CC[C@@]1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339008018 376626855 /nfs/dbraw/zinc/62/68/55/376626855.db2.gz CBCBXECJFCHISJ-HNNXBMFYSA-N -1 3 278.352 3.313 20 5 CGBDHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556866688 376891318 /nfs/dbraw/zinc/89/13/18/376891318.db2.gz HQBHQIPDHACPHT-JMSVASOKSA-N -1 3 290.363 3.453 20 5 CGBDHM Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c([O-])c1 ZINC000315982841 270092837 /nfs/dbraw/zinc/09/28/37/270092837.db2.gz HAWFTGBPDZBXAF-UHFFFAOYSA-N -1 3 297.270 3.326 20 5 CGBDHM CC(C)[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338998653 280366800 /nfs/dbraw/zinc/36/68/00/280366800.db2.gz ZGCFHIXURWHTFV-CQSZACIVSA-N -1 3 278.352 3.311 20 5 CGBDHM Cc1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1[O-] ZINC000436824965 534625546 /nfs/dbraw/zinc/62/55/46/534625546.db2.gz BJBVGNDMIJJLSY-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM Cc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000825488360 633357640 /nfs/dbraw/zinc/35/76/40/633357640.db2.gz YVBWQNBKKOTYQI-UHFFFAOYSA-N -1 3 282.202 3.027 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001251385515 805889304 /nfs/dbraw/zinc/88/93/04/805889304.db2.gz DMPLTIKCMYXQCN-UHFFFAOYSA-N -1 3 289.678 3.497 20 5 CGBDHM Cc1ccc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001163501664 806772361 /nfs/dbraw/zinc/77/23/61/806772361.db2.gz YHGBJZLMTNIGRZ-UHFFFAOYSA-N -1 3 268.319 3.217 20 5 CGBDHM Cc1cnc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199802303 811599071 /nfs/dbraw/zinc/59/90/71/811599071.db2.gz OFGHZVJFMFNCPU-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(Cl)n1 ZINC001199819398 811599848 /nfs/dbraw/zinc/59/98/48/811599848.db2.gz QEKVKEWAWGPGNA-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM Cc1cccc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)n21 ZINC001199828223 811600915 /nfs/dbraw/zinc/60/09/15/811600915.db2.gz CXAGYURNFRYJGE-UHFFFAOYSA-N -1 3 284.275 3.000 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3ncoc3c2)c1 ZINC001201222763 811799037 /nfs/dbraw/zinc/79/90/37/811799037.db2.gz QQCAXCRCURAJCM-UHFFFAOYSA-N -1 3 271.232 3.185 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc3c2COC3)c1 ZINC001201230092 811801517 /nfs/dbraw/zinc/80/15/17/811801517.db2.gz XTJKJLLEJZQHNH-UHFFFAOYSA-N -1 3 272.260 3.074 20 5 CGBDHM Cc1cnc(Cl)c([N-]c2ccccc2[N+](=O)[O-])n1 ZINC001206150396 813213493 /nfs/dbraw/zinc/21/34/93/813213493.db2.gz RJWGOFDJFHCYAT-UHFFFAOYSA-N -1 3 264.672 3.090 20 5 CGBDHM O=[N+]([O-])c1cc(F)ccc1Nc1ccc([O-])c(F)c1F ZINC001210954996 814691041 /nfs/dbraw/zinc/69/10/41/814691041.db2.gz AEVRWNREIAMWMQ-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM O=[N+]([O-])c1cc(F)cc(Nc2cc([O-])c(F)cc2F)c1 ZINC001216484030 815838342 /nfs/dbraw/zinc/83/83/42/815838342.db2.gz ZWHHSSYBPGCGRQ-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM CC(C)=CCC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667645 817134051 /nfs/dbraw/zinc/13/40/51/817134051.db2.gz VDUFWDKHGLAJOI-JTQLQIEISA-N -1 3 266.297 3.209 20 5 CGBDHM Cc1cc(O[C@@H](C)c2ccccc2[N+](=O)[O-])[n-]c(=S)n1 ZINC001226798736 817468108 /nfs/dbraw/zinc/46/81/08/817468108.db2.gz JUGZXEVVAPHKDS-VIFPVBQESA-N -1 3 291.332 3.122 20 5 CGBDHM CC1(C)CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692978 817696298 /nfs/dbraw/zinc/69/62/98/817696298.db2.gz HXEQFMLXJRXHFV-UHFFFAOYSA-N -1 3 290.323 3.214 20 5 CGBDHM C[C@@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227742496 817709063 /nfs/dbraw/zinc/70/90/63/817709063.db2.gz AKSYAGUVIJVFEC-PSASIEDQSA-N -1 3 261.281 3.039 20 5 CGBDHM C[C@@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227742496 817709070 /nfs/dbraw/zinc/70/90/70/817709070.db2.gz AKSYAGUVIJVFEC-PSASIEDQSA-N -1 3 261.281 3.039 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3C[C@@H]4CC[C@H]3C4)[n-]c2c1 ZINC001227742780 817709636 /nfs/dbraw/zinc/70/96/36/817709636.db2.gz CXDQAOOENJLICF-VYUIOLGVSA-N -1 3 273.292 3.039 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3C[C@@H]4CC[C@H]3C4)nc2c1 ZINC001227742780 817709639 /nfs/dbraw/zinc/70/96/39/817709639.db2.gz CXDQAOOENJLICF-VYUIOLGVSA-N -1 3 273.292 3.039 20 5 CGBDHM COC(C)(C)C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743437 817709751 /nfs/dbraw/zinc/70/97/51/817709751.db2.gz PEASDUSDCJUBMP-SECBINFHSA-N -1 3 293.323 3.054 20 5 CGBDHM COC(C)(C)C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743437 817709753 /nfs/dbraw/zinc/70/97/53/817709753.db2.gz PEASDUSDCJUBMP-SECBINFHSA-N -1 3 293.323 3.054 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H](C)c3ccncc3)nc2cc1[N+](=O)[O-] ZINC001228671241 817968135 /nfs/dbraw/zinc/96/81/35/817968135.db2.gz FUTIFADPLFMQFU-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048315362 345064561 /nfs/dbraw/zinc/06/45/61/345064561.db2.gz JEOOQXLVWZENRR-UHFFFAOYSA-N -1 3 297.270 3.034 20 5 CGBDHM Cc1ccc([O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000121727578 346002819 /nfs/dbraw/zinc/00/28/19/346002819.db2.gz HKPIYJBZHLAEST-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596060859 347378282 /nfs/dbraw/zinc/37/82/82/347378282.db2.gz KYLSGCYUKYSOSF-GRYCIOLGSA-N -1 3 291.351 3.466 20 5 CGBDHM CCCC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596085777 347381903 /nfs/dbraw/zinc/38/19/03/347381903.db2.gz RFOSRBTZUIMECC-UHFFFAOYSA-N -1 3 279.340 3.466 20 5 CGBDHM Cc1nocc1[N-]C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000603090301 348060093 /nfs/dbraw/zinc/06/00/93/348060093.db2.gz HKLDXCGYLJPHGQ-UHFFFAOYSA-N -1 3 289.291 3.267 20 5 CGBDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000291968466 198120475 /nfs/dbraw/zinc/12/04/75/198120475.db2.gz XJMQBFUZYIERTP-VIFPVBQESA-N -1 3 281.312 3.002 20 5 CGBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1ccn(CCC(C)C)n1 ZINC000302048625 201319045 /nfs/dbraw/zinc/31/90/45/201319045.db2.gz WFERNUUPXBVRDN-UHFFFAOYSA-N -1 3 289.339 3.284 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120327071 370758552 /nfs/dbraw/zinc/75/85/52/370758552.db2.gz MRQHWPPCYKYIAF-UHFFFAOYSA-N -1 3 297.270 3.034 20 5 CGBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC2(CCCC2)C1 ZINC000339112977 376687997 /nfs/dbraw/zinc/68/79/97/376687997.db2.gz ZGSFPCHWBHDOOT-UHFFFAOYSA-N -1 3 290.363 3.457 20 5 CGBDHM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000339715282 376820037 /nfs/dbraw/zinc/82/00/37/376820037.db2.gz GHLZWPCAOARVPL-DZGCQCFKSA-N -1 3 290.363 3.311 20 5 CGBDHM CC1(C)CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000344962573 278211194 /nfs/dbraw/zinc/21/11/94/278211194.db2.gz IQEZFEPOJCRMJC-CQSZACIVSA-N -1 3 278.352 3.359 20 5 CGBDHM C/C(=C/C(=O)Nc1ccccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000750813113 573181702 /nfs/dbraw/zinc/18/17/02/573181702.db2.gz DXVSLJMXHRWSRJ-KHPPLWFESA-N -1 3 298.298 3.342 20 5 CGBDHM CCCCCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825276514 608412806 /nfs/dbraw/zinc/41/28/06/608412806.db2.gz YXVRCCWGXKRJEN-UHFFFAOYSA-N -1 3 293.352 3.057 20 5 CGBDHM CCCCCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825276514 608412808 /nfs/dbraw/zinc/41/28/08/608412808.db2.gz YXVRCCWGXKRJEN-UHFFFAOYSA-N -1 3 293.352 3.057 20 5 CGBDHM Cc1ccoc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000073906898 626075692 /nfs/dbraw/zinc/07/56/92/626075692.db2.gz LCDBDQWOEMWEJR-UHFFFAOYSA-N -1 3 282.202 3.027 20 5 CGBDHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000787172258 628999734 /nfs/dbraw/zinc/99/97/34/628999734.db2.gz UNOXMGNAHQXDMO-ZMLXFWSASA-N -1 3 283.287 3.207 20 5 CGBDHM CC(C)Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199801723 811599464 /nfs/dbraw/zinc/59/94/64/811599464.db2.gz HZDSPJZSKAQSPG-UHFFFAOYSA-N -1 3 277.280 3.231 20 5 CGBDHM COc1ccc(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828821 811599989 /nfs/dbraw/zinc/59/99/89/811599989.db2.gz UQCYQMCZAUUPBD-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(O)cc(Cl)c2)c1 ZINC001201224451 811800371 /nfs/dbraw/zinc/80/03/71/811800371.db2.gz NXCYLCIASBVNIB-UHFFFAOYSA-N -1 3 280.667 3.403 20 5 CGBDHM CC[C@@H](C)CC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666396 817132255 /nfs/dbraw/zinc/13/22/55/817132255.db2.gz HXKHQYNHURDTLC-ZJUUUORDSA-N -1 3 268.313 3.289 20 5 CGBDHM CC[C@H](C)CC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666394 817133212 /nfs/dbraw/zinc/13/32/12/817133212.db2.gz HXKHQYNHURDTLC-VHSXEESVSA-N -1 3 268.313 3.289 20 5 CGBDHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001225740451 817162954 /nfs/dbraw/zinc/16/29/54/817162954.db2.gz HCDFMSXEGVOPJF-SECBINFHSA-N -1 3 291.332 3.122 20 5 CGBDHM C[C@@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C[C@H]1C ZINC001227691110 817694879 /nfs/dbraw/zinc/69/48/79/817694879.db2.gz MPIWVONVKVNHRK-BBBLOLIVSA-N -1 3 290.323 3.070 20 5 CGBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCCC1 ZINC001227743495 817709579 /nfs/dbraw/zinc/70/95/79/817709579.db2.gz QZFJFOWVTIEVCA-SECBINFHSA-N -1 3 275.308 3.429 20 5 CGBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCCC1 ZINC001227743495 817709583 /nfs/dbraw/zinc/70/95/83/817709583.db2.gz QZFJFOWVTIEVCA-SECBINFHSA-N -1 3 275.308 3.429 20 5 CGBDHM CC1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227744169 817710502 /nfs/dbraw/zinc/71/05/02/817710502.db2.gz DJNUXECWFHSKCR-UHFFFAOYSA-N -1 3 275.308 3.429 20 5 CGBDHM CC1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227744169 817710508 /nfs/dbraw/zinc/71/05/08/817710508.db2.gz DJNUXECWFHSKCR-UHFFFAOYSA-N -1 3 275.308 3.429 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H](C)c3cccnc3)nc2cc1[N+](=O)[O-] ZINC001228670735 817967999 /nfs/dbraw/zinc/96/79/99/817967999.db2.gz BKHGJJGZYKVLMF-JTQLQIEISA-N -1 3 298.302 3.315 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001228687237 817973567 /nfs/dbraw/zinc/97/35/67/817973567.db2.gz VBHNWEVFSIYVCD-SECBINFHSA-N -1 3 292.266 3.283 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC001228686809 817973862 /nfs/dbraw/zinc/97/38/62/817973862.db2.gz RGAXZSDVTCZTLK-FXPVBKGRSA-N -1 3 280.324 3.207 20 5 CGBDHM CS[C@@H]1CC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001343878137 936516833 /nfs/dbraw/zinc/51/68/33/936516833.db2.gz QPMBVXJKTPBYMZ-DGCLKSJQSA-N -1 3 296.392 3.016 20 5 CGBDHM O=c1[n-]ccc(Oc2cnc3ccccc3c2)c1[N+](=O)[O-] ZINC001458334710 937459014 /nfs/dbraw/zinc/45/90/14/937459014.db2.gz XIYHMJNGKIIOAO-UHFFFAOYSA-N -1 3 283.243 3.036 20 5 CGBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000339007756 214896864 /nfs/dbraw/zinc/89/68/64/214896864.db2.gz VRFJVXAKQFOMBT-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM O=C([N-]c1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000026049851 344905756 /nfs/dbraw/zinc/90/57/56/344905756.db2.gz SKXVRCINIVHGRU-UHFFFAOYSA-N -1 3 295.345 3.243 20 5 CGBDHM Cc1c(COc2ccc3c([O-])coc3c2)cccc1[N+](=O)[O-] ZINC000315970153 346485009 /nfs/dbraw/zinc/48/50/09/346485009.db2.gz YLTYWCIBQWLHNB-UHFFFAOYSA-N -1 3 299.282 3.057 20 5 CGBDHM CCC(C)(C)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000594968685 347245314 /nfs/dbraw/zinc/24/53/14/347245314.db2.gz NRCCFLGNBROVJU-JTQLQIEISA-N -1 3 266.341 3.215 20 5 CGBDHM Cc1ccc([C@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596133067 347386742 /nfs/dbraw/zinc/38/67/42/347386742.db2.gz CRQUVVKNLODONI-LLVKDONJSA-N -1 3 287.319 3.219 20 5 CGBDHM Cc1cccc([C@@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596145402 347388777 /nfs/dbraw/zinc/38/87/77/347388777.db2.gz LLSJSTCIECEULR-NSHDSACASA-N -1 3 287.319 3.219 20 5 CGBDHM O=c1[n-]ccc(NCc2ccc(C3CC3)cc2)c1[N+](=O)[O-] ZINC000596205569 347398404 /nfs/dbraw/zinc/39/84/04/347398404.db2.gz AGMRAEMIHMJBIR-UHFFFAOYSA-N -1 3 285.303 3.185 20 5 CGBDHM O=c1[n-]ccc(N2CC[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596452422 347459326 /nfs/dbraw/zinc/45/93/26/347459326.db2.gz CZENZGQUIXXXGO-GFCCVEGCSA-N -1 3 291.351 3.102 20 5 CGBDHM O=C([N-]c1cc(F)ccc1F)c1csc([N+](=O)[O-])c1 ZINC000042566955 369225367 /nfs/dbraw/zinc/22/53/67/369225367.db2.gz PIRNNWVKJXWQGS-UHFFFAOYSA-N -1 3 284.243 3.187 20 5 CGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)cccc1[O-] ZINC000179546477 373885833 /nfs/dbraw/zinc/88/58/33/373885833.db2.gz MSUFRYVXYCBWGI-UHFFFAOYSA-N -1 3 286.287 3.170 20 5 CGBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000179565624 373888818 /nfs/dbraw/zinc/88/88/18/373888818.db2.gz ZSJMDCLKTIUFLQ-UHFFFAOYSA-N -1 3 290.250 3.000 20 5 CGBDHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000184140067 374497194 /nfs/dbraw/zinc/49/71/94/374497194.db2.gz CABNBKPIVAFVJH-SNVBAGLBSA-N -1 3 290.294 3.290 20 5 CGBDHM O=C(Nc1cccc([O-])c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000356131123 393358506 /nfs/dbraw/zinc/35/85/06/393358506.db2.gz BIUBVEQNBUNUMO-UHFFFAOYSA-N -1 3 297.270 3.034 20 5 CGBDHM C[C@@H](N(C)Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000549770431 289052931 /nfs/dbraw/zinc/05/29/31/289052931.db2.gz DPYQUWUAFURYTH-SNVBAGLBSA-N -1 3 266.341 3.167 20 5 CGBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn([C@@H](C)C3CC3)c2)n1 ZINC000189158619 270070896 /nfs/dbraw/zinc/07/08/96/270070896.db2.gz PPMXQGNPXNJHEZ-JTQLQIEISA-N -1 3 287.323 3.209 20 5 CGBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000549545513 289046158 /nfs/dbraw/zinc/04/61/58/289046158.db2.gz XPQJZUJATOWHGT-DJSGYFEHSA-N -1 3 290.363 3.311 20 5 CGBDHM CC[C@H]1c2ccccc2CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000897353852 620226014 /nfs/dbraw/zinc/22/60/14/620226014.db2.gz GHKOUNJBIYHXDB-LBPRGKRZSA-N -1 3 285.303 3.167 20 5 CGBDHM O=C(Nc1ccccc1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154818355 624376829 /nfs/dbraw/zinc/37/68/29/624376829.db2.gz UZJXDRJIDWVDEE-UHFFFAOYSA-N -1 3 292.678 3.206 20 5 CGBDHM C[C@H](OC(=O)c1ccc([O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000782007105 628609624 /nfs/dbraw/zinc/60/96/24/628609624.db2.gz UAHWXMHHCAQIGN-JTQLQIEISA-N -1 3 287.271 3.218 20 5 CGBDHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1 ZINC000787172256 629000120 /nfs/dbraw/zinc/00/01/20/629000120.db2.gz UNOXMGNAHQXDMO-BTHQEHEQSA-N -1 3 283.287 3.207 20 5 CGBDHM Cc1nc(Cl)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815311 811600569 /nfs/dbraw/zinc/60/05/69/811600569.db2.gz ZVPVKXJLIBZPHY-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C(F)F)nc2)c1 ZINC001199819582 811600945 /nfs/dbraw/zinc/60/09/45/811600945.db2.gz ZQCROQJFSOXUMI-UHFFFAOYSA-N -1 3 281.218 3.377 20 5 CGBDHM COc1cccc(OC)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201223214 811798689 /nfs/dbraw/zinc/79/86/89/811798689.db2.gz XOKVYKPXVAOJME-UHFFFAOYSA-N -1 3 290.275 3.061 20 5 CGBDHM COc1cccc(F)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201221979 811798857 /nfs/dbraw/zinc/79/88/57/811798857.db2.gz GZYPULQIJSWJPP-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(-n3ccnc3)c2)c1 ZINC001201222387 811799049 /nfs/dbraw/zinc/79/90/49/811799049.db2.gz MSIOKJYUOXXUMB-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM CCOc1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222782 811799436 /nfs/dbraw/zinc/79/94/36/811799436.db2.gz RCCLAMGMJUKQAP-UHFFFAOYSA-N -1 3 274.276 3.443 20 5 CGBDHM COc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1F ZINC001201223400 811800533 /nfs/dbraw/zinc/80/05/33/811800533.db2.gz YAEOOTAEEZNGRU-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM CC/C=C(\C)[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664091 817131064 /nfs/dbraw/zinc/13/10/64/817131064.db2.gz JFQMLRCZLYYPCA-LAHYYIKRSA-N -1 3 266.297 3.209 20 5 CGBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCCCCCC1 ZINC001225666102 817133339 /nfs/dbraw/zinc/13/33/39/817133339.db2.gz GFCZUNRMJKLGMX-UHFFFAOYSA-N -1 3 266.297 3.187 20 5 CGBDHM CC[C@H](C)C[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689736 817694237 /nfs/dbraw/zinc/69/42/37/817694237.db2.gz CRJILIDJYSCBCL-UWVGGRQHSA-N -1 3 292.339 3.460 20 5 CGBDHM CCC(CC)[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690151 817694825 /nfs/dbraw/zinc/69/48/25/817694825.db2.gz GSMOCXBKHRQAEQ-NSHDSACASA-N -1 3 292.339 3.460 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(OC3Cc4ccccc4C3)[n-]c2c1 ZINC001227741303 817709619 /nfs/dbraw/zinc/70/96/19/817709619.db2.gz LLAULGVFLXPFGB-UHFFFAOYSA-N -1 3 295.298 3.017 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(OC3Cc4ccccc4C3)nc2c1 ZINC001227741303 817709622 /nfs/dbraw/zinc/70/96/22/817709622.db2.gz LLAULGVFLXPFGB-UHFFFAOYSA-N -1 3 295.298 3.017 20 5 CGBDHM Cc1cc2[n-]c(O[C@H]3CCC(F)(F)C3)nc2cc1[N+](=O)[O-] ZINC001228677175 817969716 /nfs/dbraw/zinc/96/97/16/817969716.db2.gz OETQOPZZRKFBMQ-QMMMGPOBSA-N -1 3 297.261 3.346 20 5 CGBDHM C[C@@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731593 347109658 /nfs/dbraw/zinc/10/96/58/347109658.db2.gz DUAAXFTXDLPYTC-PHIMTYICSA-N -1 3 292.335 3.056 20 5 CGBDHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596087708 347381571 /nfs/dbraw/zinc/38/15/71/347381571.db2.gz HDNXGPAPGOPKKZ-SCZZXKLOSA-N -1 3 289.291 3.024 20 5 CGBDHM CC(C)[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596107818 347383968 /nfs/dbraw/zinc/38/39/68/347383968.db2.gz PHBRDLXKVWEZGS-WDEREUQCSA-N -1 3 279.340 3.322 20 5 CGBDHM O=c1[n-]ccc(N2CCC(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596140914 347388168 /nfs/dbraw/zinc/38/81/68/347388168.db2.gz TVPBMIJUHTYORW-UHFFFAOYSA-N -1 3 291.351 3.102 20 5 CGBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596542345 347477100 /nfs/dbraw/zinc/47/71/00/347477100.db2.gz QLZGQSXLRUDXAY-JTQLQIEISA-N -1 3 279.340 3.324 20 5 CGBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOC1CCCC1 ZINC000289741592 371806967 /nfs/dbraw/zinc/80/69/67/371806967.db2.gz JLKFFAGSMSMNRV-UHFFFAOYSA-N -1 3 293.323 3.153 20 5 CGBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC1CCCC1 ZINC000289741592 371806971 /nfs/dbraw/zinc/80/69/71/371806971.db2.gz JLKFFAGSMSMNRV-UHFFFAOYSA-N -1 3 293.323 3.153 20 5 CGBDHM Cc1ccnc([N-]c2cnn([C@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000302343902 373855780 /nfs/dbraw/zinc/85/57/80/373855780.db2.gz AORABRDBBFOJLF-SNVBAGLBSA-N -1 3 287.323 3.209 20 5 CGBDHM C[C@H](NCc1cc([O-])cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000184140051 374496406 /nfs/dbraw/zinc/49/64/06/374496406.db2.gz CABNBKPIVAFVJH-JTQLQIEISA-N -1 3 290.294 3.290 20 5 CGBDHM Cc1ccc([N-]C(=O)c2cc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000265121851 190159326 /nfs/dbraw/zinc/15/93/26/190159326.db2.gz YZADKQCICBGGQB-UHFFFAOYSA-N -1 3 289.291 3.267 20 5 CGBDHM Cc1c([N-]c2nccc(C)c2[N+](=O)[O-])cnn1CC(C)C ZINC000346696228 378679164 /nfs/dbraw/zinc/67/91/64/378679164.db2.gz NGJDPCXWJCMYDX-UHFFFAOYSA-N -1 3 289.339 3.203 20 5 CGBDHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000782007106 628609526 /nfs/dbraw/zinc/60/95/26/628609526.db2.gz UAHWXMHHCAQIGN-SNVBAGLBSA-N -1 3 287.271 3.218 20 5 CGBDHM O=c1[n-]ccc(NCC2CCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000695735956 799833236 /nfs/dbraw/zinc/83/32/36/799833236.db2.gz CZVAYEAZVPGESG-UHFFFAOYSA-N -1 3 277.324 3.078 20 5 CGBDHM COc1ccc(Nc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001176364289 809677857 /nfs/dbraw/zinc/67/78/57/809677857.db2.gz WRNZXUKQCUEDOM-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM CCOc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(C)n1 ZINC001199818553 811600193 /nfs/dbraw/zinc/60/01/93/811600193.db2.gz DILUVOWOZUNWKF-UHFFFAOYSA-N -1 3 289.291 3.146 20 5 CGBDHM COc1ccc(Cl)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199819292 811600343 /nfs/dbraw/zinc/60/03/43/811600343.db2.gz ONOPGNJBRSXPQM-UHFFFAOYSA-N -1 3 295.682 3.101 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OC(F)F)nc2)c1 ZINC001199818528 811600425 /nfs/dbraw/zinc/60/04/25/811600425.db2.gz CEMVFBYDEMOYJK-UHFFFAOYSA-N -1 3 297.217 3.040 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001199828543 811600644 /nfs/dbraw/zinc/60/06/44/811600644.db2.gz MILCZQQUXGZMIJ-UHFFFAOYSA-N -1 3 278.239 3.192 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2F)c1 ZINC001199828639 811600804 /nfs/dbraw/zinc/60/08/04/811600804.db2.gz PPQCEBACYWCCBP-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM CC(=O)Nc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828195 811601366 /nfs/dbraw/zinc/60/13/66/811601366.db2.gz CAYITVYEQNMGID-UHFFFAOYSA-N -1 3 287.275 3.002 20 5 CGBDHM Cc1nn(C)c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc12 ZINC001201222456 811798777 /nfs/dbraw/zinc/79/87/77/811798777.db2.gz MHHIAHORNRXGRU-UHFFFAOYSA-N -1 3 298.302 3.239 20 5 CGBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1C ZINC001201223223 811799185 /nfs/dbraw/zinc/79/91/85/811799185.db2.gz YDQMUNFBINHYOA-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC001201223737 811800792 /nfs/dbraw/zinc/80/07/92/811800792.db2.gz FOAWVWHRQACSPZ-UHFFFAOYSA-N -1 3 274.276 3.361 20 5 CGBDHM Cc1c(F)ccc(N)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230065 811801692 /nfs/dbraw/zinc/80/16/92/811801692.db2.gz WLDKRZNKVLGHGB-UHFFFAOYSA-N -1 3 277.255 3.074 20 5 CGBDHM CCn1ncc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccc21 ZINC001201230067 811801848 /nfs/dbraw/zinc/80/18/48/811801848.db2.gz WNPLXANBOYUKKA-UHFFFAOYSA-N -1 3 298.302 3.414 20 5 CGBDHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001225742260 817164180 /nfs/dbraw/zinc/16/41/80/817164180.db2.gz IQFVEACUVXSGBN-VIFPVBQESA-N -1 3 291.332 3.122 20 5 CGBDHM CC(C)CCC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690684 817694851 /nfs/dbraw/zinc/69/48/51/817694851.db2.gz JMRJGKSHEREIHG-SNVBAGLBSA-N -1 3 292.339 3.460 20 5 CGBDHM CC(C)C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227692372 817696163 /nfs/dbraw/zinc/69/61/63/817696163.db2.gz YEEZMUYRFYFAPJ-NSHDSACASA-N -1 3 292.339 3.316 20 5 CGBDHM CCCCC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692483 817696382 /nfs/dbraw/zinc/69/63/82/817696382.db2.gz YXFQABSNXAYVDF-VIFPVBQESA-N -1 3 278.312 3.214 20 5 CGBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC(F)(F)C3)[n-]c2c1 ZINC001227743850 817710262 /nfs/dbraw/zinc/71/02/62/817710262.db2.gz ZIHNRQMUNNROCY-MRVPVSSYSA-N -1 3 283.234 3.038 20 5 CGBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCC(F)(F)C3)nc2c1 ZINC001227743850 817710268 /nfs/dbraw/zinc/71/02/68/817710268.db2.gz ZIHNRQMUNNROCY-MRVPVSSYSA-N -1 3 283.234 3.038 20 5 CGBDHM CCCCOC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744882 817710386 /nfs/dbraw/zinc/71/03/86/817710386.db2.gz KEEGNPWSDYGNQA-JTQLQIEISA-N -1 3 293.323 3.055 20 5 CGBDHM CCCCOC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744882 817710391 /nfs/dbraw/zinc/71/03/91/817710391.db2.gz KEEGNPWSDYGNQA-JTQLQIEISA-N -1 3 293.323 3.055 20 5 CGBDHM Cc1cc2[n-]c(O[C@@H](C)C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC001228674234 817969533 /nfs/dbraw/zinc/96/95/33/817969533.db2.gz JKWIJMBUTWMIHV-LURJTMIESA-N -1 3 289.213 3.109 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC=CCCC2)c1[N+](=O)[O-] ZINC001228685102 817972168 /nfs/dbraw/zinc/97/21/68/817972168.db2.gz DHVHXDIFZAJGJH-NSHDSACASA-N -1 3 278.308 3.272 20 5 CGBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3C[C@H]4C[C@H]4C3)nc2cc1Cl ZINC001233497833 818627656 /nfs/dbraw/zinc/62/76/56/818627656.db2.gz IHLSZJFXRQWAAB-RNLVFQAGSA-N -1 3 293.710 3.302 20 5 CGBDHM O=C([N-]c1cccc(F)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC001351641027 937021477 /nfs/dbraw/zinc/02/14/77/937021477.db2.gz WBCZKLMNKLMUOT-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM O=C(Oc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1[O-] ZINC001351936186 937029233 /nfs/dbraw/zinc/02/92/33/937029233.db2.gz CLBKVXUZLFTJNX-UHFFFAOYSA-N -1 3 293.662 3.173 20 5 CGBDHM CC(C)(C)c1coc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001458719360 937472545 /nfs/dbraw/zinc/47/25/45/937472545.db2.gz SSOILVZXLFGIDW-UHFFFAOYSA-N -1 3 295.320 3.132 20 5 CGBDHM Cc1cc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])s1 ZINC001306975130 932902779 /nfs/dbraw/zinc/90/27/79/932902779.db2.gz BFWHQGQDFUSVHO-UHFFFAOYSA-N -1 3 282.296 3.422 20 5 CGBDHM CSCC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596248937 347404451 /nfs/dbraw/zinc/40/44/51/347404451.db2.gz NHSAEZMZJHRTKA-UHFFFAOYSA-N -1 3 297.380 3.029 20 5 CGBDHM CC1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595858217 347368108 /nfs/dbraw/zinc/36/81/08/347368108.db2.gz TWAASWOLTHEGAV-VGPLMAKISA-N -1 3 276.336 3.063 20 5 CGBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596060865 347378033 /nfs/dbraw/zinc/37/80/33/347378033.db2.gz KYLSGCYUKYSOSF-IJLUTSLNSA-N -1 3 291.351 3.466 20 5 CGBDHM O=c1[n-]ccc(NCCCCc2ccccc2)c1[N+](=O)[O-] ZINC000596062620 347378608 /nfs/dbraw/zinc/37/86/08/347378608.db2.gz KHKVFTOARVILGT-UHFFFAOYSA-N -1 3 287.319 3.130 20 5 CGBDHM C[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596102949 347383738 /nfs/dbraw/zinc/38/37/38/347383738.db2.gz FKPSVMGDKMOHRQ-NSHDSACASA-N -1 3 287.319 3.301 20 5 CGBDHM CC(C)(C)CCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596113673 347384497 /nfs/dbraw/zinc/38/44/97/347384497.db2.gz WCCIAKKSGDNCOI-UHFFFAOYSA-N -1 3 267.329 3.324 20 5 CGBDHM C[C@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1 ZINC000413252407 235263493 /nfs/dbraw/zinc/26/34/93/235263493.db2.gz SDHVKRRMISXTOF-MRVPVSSYSA-N -1 3 291.286 3.040 20 5 CGBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)cc1 ZINC000083451640 370005270 /nfs/dbraw/zinc/00/52/70/370005270.db2.gz NKRNKBJRUAXSCH-UHFFFAOYSA-N -1 3 262.240 3.052 20 5 CGBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ccoc1Cl ZINC000229560641 376465105 /nfs/dbraw/zinc/46/51/05/376465105.db2.gz HQAPMJKLNFERHK-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM O=C([N-]c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])o1 ZINC000070685114 165063335 /nfs/dbraw/zinc/06/33/35/165063335.db2.gz RABRQZUUPDWYGH-UHFFFAOYSA-N -1 3 284.630 3.233 20 5 CGBDHM O=C([N-]c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cn1 ZINC000532144975 288352244 /nfs/dbraw/zinc/35/22/44/288352244.db2.gz ZUKRBNUYRPWDDK-UHFFFAOYSA-N -1 3 295.657 3.035 20 5 CGBDHM O=c1[n-]ccc(N[C@H]2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000896975417 620115229 /nfs/dbraw/zinc/11/52/29/620115229.db2.gz CYZRQBCVSNYJPT-ZDUSSCGKSA-N -1 3 299.330 3.055 20 5 CGBDHM Cc1ccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2c1C ZINC001251386028 805889349 /nfs/dbraw/zinc/88/93/49/805889349.db2.gz QPRKSFSFNAXENB-UHFFFAOYSA-N -1 3 283.287 3.461 20 5 CGBDHM CCc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)no1 ZINC001128950705 803210851 /nfs/dbraw/zinc/21/08/51/803210851.db2.gz ASFUOLNAASGROL-UHFFFAOYSA-N -1 3 295.682 3.051 20 5 CGBDHM COc1ccc(Nc2c(F)cc([O-])cc2F)c([N+](=O)[O-])c1 ZINC001248483201 804937982 /nfs/dbraw/zinc/93/79/82/804937982.db2.gz INKWBYRMTUNAMK-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM O=c1cc(Nc2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC001174477075 809032442 /nfs/dbraw/zinc/03/24/42/809032442.db2.gz KKPMRIVOAPJZSC-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM Cc1cc(Cl)nc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199813984 811598913 /nfs/dbraw/zinc/59/89/13/811598913.db2.gz AWNOTUUJCLBTJN-UHFFFAOYSA-N -1 3 279.683 3.401 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C(F)(F)F)nc2)c1 ZINC001199801167 811599171 /nfs/dbraw/zinc/59/91/71/811599171.db2.gz ASYLFSUOAYRNNZ-UHFFFAOYSA-N -1 3 299.208 3.458 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(-n3ccnc3)cc2)c1 ZINC001199828174 811600660 /nfs/dbraw/zinc/60/06/60/811600660.db2.gz BUAOMNDFQUVDAZ-UHFFFAOYSA-N -1 3 296.286 3.230 20 5 CGBDHM COc1c(F)cc(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222432 811798633 /nfs/dbraw/zinc/79/86/33/811798633.db2.gz KXMIYQXSAZYHEZ-UHFFFAOYSA-N -1 3 296.229 3.331 20 5 CGBDHM CC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC001201222014 811798673 /nfs/dbraw/zinc/79/86/73/811798673.db2.gz IFHWIPNROQMMSO-UHFFFAOYSA-N -1 3 290.250 3.386 20 5 CGBDHM Cc1cc(C)c(N)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201221492 811799490 /nfs/dbraw/zinc/79/94/90/811799490.db2.gz CMXCJLNCCBXKFE-UHFFFAOYSA-N -1 3 273.292 3.243 20 5 CGBDHM COCc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC001201224890 811801788 /nfs/dbraw/zinc/80/17/88/811801788.db2.gz VKYVVWGJCMPKOA-UHFFFAOYSA-N -1 3 292.266 3.330 20 5 CGBDHM Cc1cc2ccc(N)cc2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201232097 811802320 /nfs/dbraw/zinc/80/23/20/811802320.db2.gz OOMMDCDJWDRFBK-UHFFFAOYSA-N -1 3 283.287 3.135 20 5 CGBDHM O=[N+]([O-])c1ccc(Nc2cc([O-])cc(Cl)c2)cn1 ZINC001203580605 812398610 /nfs/dbraw/zinc/39/86/10/812398610.db2.gz NTPKXACHXLSQEW-UHFFFAOYSA-N -1 3 265.656 3.092 20 5 CGBDHM Cc1cccc2c1CC[C@@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663131 817130931 /nfs/dbraw/zinc/13/09/31/817130931.db2.gz ZAEGPHKEYDQJPP-ZDUSSCGKSA-N -1 3 286.287 3.070 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001228686749 817973511 /nfs/dbraw/zinc/97/35/11/817973511.db2.gz QSTCMEGJDMHTBS-SECBINFHSA-N -1 3 292.266 3.283 20 5 CGBDHM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000063489198 345247809 /nfs/dbraw/zinc/24/78/09/345247809.db2.gz YUNMZUVPQNXNJQ-UHFFFAOYSA-N -1 3 295.682 3.105 20 5 CGBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593731610 347109051 /nfs/dbraw/zinc/10/90/51/347109051.db2.gz FCZCTQASGQMXCU-UHFFFAOYSA-N -1 3 292.335 3.058 20 5 CGBDHM Cc1ccc2c(c1)CC[C@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596085447 347381888 /nfs/dbraw/zinc/38/18/88/347381888.db2.gz GASHCRXDRXMPBY-GFCCVEGCSA-N -1 3 285.303 3.103 20 5 CGBDHM CC[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596109752 347384708 /nfs/dbraw/zinc/38/47/08/347384708.db2.gz IDHFAYJPBKLUNO-LLVKDONJSA-N -1 3 279.340 3.466 20 5 CGBDHM CC[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596135239 347387113 /nfs/dbraw/zinc/38/71/13/347387113.db2.gz GKLSZCPSJPTDTM-VHSXEESVSA-N -1 3 265.313 3.076 20 5 CGBDHM CC1(C)CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596202443 347398599 /nfs/dbraw/zinc/39/85/99/347398599.db2.gz DTMBQBVQXBLKPG-SECBINFHSA-N -1 3 265.313 3.076 20 5 CGBDHM C[C@@H]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596219152 347400270 /nfs/dbraw/zinc/40/02/70/347400270.db2.gz NQOFFUKXQZHDBN-OUAUKWLOSA-N -1 3 279.340 3.180 20 5 CGBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc([O-])c(F)c1 ZINC000301731549 201164162 /nfs/dbraw/zinc/16/41/62/201164162.db2.gz DXRBWXJAQKQZNM-UHFFFAOYSA-N -1 3 297.673 3.100 20 5 CGBDHM O=C([N-]c1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000336631314 375891421 /nfs/dbraw/zinc/89/14/21/375891421.db2.gz GUNBENXUILZVEQ-UHFFFAOYSA-N -1 3 296.204 3.264 20 5 CGBDHM CC(C)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC000343616119 378040840 /nfs/dbraw/zinc/04/08/40/378040840.db2.gz DKYAABAZWKXFOP-UHFFFAOYSA-N -1 3 293.254 3.098 20 5 CGBDHM O=[N+]([O-])c1ccc(F)c(Nc2cccc(F)c2[O-])c1 ZINC001175736944 809524963 /nfs/dbraw/zinc/52/49/63/809524963.db2.gz PJPLPMXTSJDWJP-UHFFFAOYSA-N -1 3 266.203 3.322 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3sccc32)c1 ZINC001199802780 811598521 /nfs/dbraw/zinc/59/85/21/811598521.db2.gz YIRNCHWXFWDMGR-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM C[C@H](O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222775 811799446 /nfs/dbraw/zinc/79/94/46/811799446.db2.gz QTEYHLDVFLDKHV-VIFPVBQESA-N -1 3 274.276 3.097 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(O)c(F)cc2F)c1 ZINC001201221780 811799512 /nfs/dbraw/zinc/79/95/12/811799512.db2.gz HDUZVLDORJRYDC-UHFFFAOYSA-N -1 3 282.202 3.028 20 5 CGBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C)cc1N ZINC001201223601 811800163 /nfs/dbraw/zinc/80/01/63/811800163.db2.gz CXSZRKGFUOYJFK-UHFFFAOYSA-N -1 3 273.292 3.243 20 5 CGBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3nnsc3c2)c1 ZINC001201229769 811800700 /nfs/dbraw/zinc/80/07/00/811800700.db2.gz RRYUIYNUNHPHCU-UHFFFAOYSA-N -1 3 288.288 3.049 20 5 CGBDHM C[C@@H](O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229329 811801499 /nfs/dbraw/zinc/80/14/99/811801499.db2.gz LVWGCDXIXRRVPH-SECBINFHSA-N -1 3 274.276 3.097 20 5 CGBDHM O=[N+]([O-])c1cc(F)ccc1Nc1c(F)cc([O-])cc1F ZINC001210954785 814691146 /nfs/dbraw/zinc/69/11/46/814691146.db2.gz OVVGSCSKXGKRSK-UHFFFAOYSA-N -1 3 284.193 3.461 20 5 CGBDHM Cc1c(Nc2ccccc2[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211298534 814873469 /nfs/dbraw/zinc/87/34/69/814873469.db2.gz PHDMLVBTQIAYRM-UHFFFAOYSA-N -1 3 289.247 3.261 20 5 CGBDHM CCC(CC)[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667249 817134462 /nfs/dbraw/zinc/13/44/62/817134462.db2.gz QGANYZCTIWIUMV-NSHDSACASA-N -1 3 268.313 3.289 20 5 CGBDHM C[C@H](CCc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668171 817134549 /nfs/dbraw/zinc/13/45/49/817134549.db2.gz ZGXIJTZIOYISFL-LLVKDONJSA-N -1 3 288.303 3.096 20 5 CGBDHM CCC(CC)[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690150 817694568 /nfs/dbraw/zinc/69/45/68/817694568.db2.gz GSMOCXBKHRQAEQ-LLVKDONJSA-N -1 3 292.339 3.460 20 5 CGBDHM CC[C@@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692884 817696136 /nfs/dbraw/zinc/69/61/36/817696136.db2.gz GYSXNKMPLCNECD-MWLCHTKSSA-N -1 3 290.323 3.214 20 5 CGBDHM CCCCOC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744888 817710754 /nfs/dbraw/zinc/71/07/54/817710754.db2.gz KEEGNPWSDYGNQA-SNVBAGLBSA-N -1 3 293.323 3.055 20 5 CGBDHM CCCCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744888 817710760 /nfs/dbraw/zinc/71/07/60/817710760.db2.gz KEEGNPWSDYGNQA-SNVBAGLBSA-N -1 3 293.323 3.055 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC=CCCC2)c1[N+](=O)[O-] ZINC001228685101 817971731 /nfs/dbraw/zinc/97/17/31/817971731.db2.gz DHVHXDIFZAJGJH-LLVKDONJSA-N -1 3 278.308 3.272 20 5 CGBDHM Cc1ccc([C@@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cc1 ZINC001228688110 817973503 /nfs/dbraw/zinc/97/35/03/817973503.db2.gz DVCKOLSTZOPGQM-LLVKDONJSA-N -1 3 288.303 3.452 20 5 CGBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001228687239 817973601 /nfs/dbraw/zinc/97/36/01/817973601.db2.gz VBHNWEVFSIYVCD-VIFPVBQESA-N -1 3 292.266 3.283 20 5 CGBDHM