smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC001446063739 937361033 /nfs/dbraw/zinc/36/10/33/937361033.db2.gz YHZOEBRWDNTEQE-UHFFFAOYSA-N -1 0 292.335 3.001 20 5 CGBDRM CCCC[C@@H](CC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231073269 932671459 /nfs/dbraw/zinc/67/14/59/932671459.db2.gz ZYNCMXYSEZURNJ-SSDOTTSWSA-N -1 0 289.719 3.091 20 5 CGBDRM CCCCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001540652718 938132678 /nfs/dbraw/zinc/13/26/78/938132678.db2.gz QESNYQQHNQWHKC-LLVKDONJSA-N -1 0 294.351 3.389 20 5 CGBDRM CC[C@H](C)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001593615065 953496396 /nfs/dbraw/zinc/49/63/96/953496396.db2.gz OHZWCRUOYWSGSH-CPCISQLKSA-N -1 0 286.715 3.159 20 5 CGBDRM O=C([O-])c1occc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000037329419 957269761 /nfs/dbraw/zinc/26/97/61/957269761.db2.gz MKVYBUYSVGODSZ-UHFFFAOYSA-N -1 0 297.650 3.118 20 5 CGBDRM CN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000211928705 959703558 /nfs/dbraw/zinc/70/35/58/959703558.db2.gz YMSPDVFDNFBGTD-UHFFFAOYSA-N -1 0 278.308 3.062 20 5 CGBDRM CC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001595458925 960532390 /nfs/dbraw/zinc/53/23/90/960532390.db2.gz ABWHIWHXXPTSNK-QMMMGPOBSA-N -1 0 298.726 3.325 20 5 CGBDRM CCCCCCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595710361 960539486 /nfs/dbraw/zinc/53/94/86/960539486.db2.gz FJKZXCMHUYRPKG-UHFFFAOYSA-N -1 0 295.291 3.030 20 5 CGBDRM CC[C@@H](C)CSc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001594967463 982728417 /nfs/dbraw/zinc/72/84/17/982728417.db2.gz XLURRPZGNLHHGM-SSDOTTSWSA-N -1 0 284.337 3.135 20 5 CGBDRM CC(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001591095624 991682711 /nfs/dbraw/zinc/68/27/11/991682711.db2.gz YCIUBGVYBBGIDW-QMMMGPOBSA-N -1 0 298.726 3.181 20 5 CGBDRM CCc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427921328 529600284 /nfs/dbraw/zinc/60/02/84/529600284.db2.gz HECDACKPARQPNJ-UHFFFAOYSA-N -1 0 286.287 3.115 20 5 CGBDRM Cc1cc(NC[C@@H](C)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970964 347022333 /nfs/dbraw/zinc/02/23/33/347022333.db2.gz JYCAVTIQVFLWBV-SECBINFHSA-N -1 0 278.308 3.059 20 5 CGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000597443184 347575568 /nfs/dbraw/zinc/57/55/68/347575568.db2.gz PZOUJTZOLADTCV-SNVBAGLBSA-N -1 0 290.319 3.209 20 5 CGBDRM CC1=CC[C@](C)(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000597491065 347578276 /nfs/dbraw/zinc/57/82/76/347578276.db2.gz FLTRLTSJMLKYIV-HNNXBMFYSA-N -1 0 290.319 3.375 20 5 CGBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCCCCC2 ZINC000601935191 347925566 /nfs/dbraw/zinc/92/55/66/347925566.db2.gz QRKWVNPYYFKDBX-CYBMUJFWSA-N -1 0 287.319 3.268 20 5 CGBDRM Cc1cccc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)c1 ZINC000603807665 348095861 /nfs/dbraw/zinc/09/58/61/348095861.db2.gz KQKKGFJISJJUPG-UHFFFAOYSA-N -1 0 295.298 3.044 20 5 CGBDRM CC(C)(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000177345707 138425920 /nfs/dbraw/zinc/42/59/20/138425920.db2.gz LJWBPSISAKEKTH-UHFFFAOYSA-N -1 0 294.351 3.245 20 5 CGBDRM CC(C)=CCC[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452544997 535368352 /nfs/dbraw/zinc/36/83/52/535368352.db2.gz UAFDHKFWLVYDNE-NSHDSACASA-N -1 0 292.335 3.165 20 5 CGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCCCC1 ZINC000092549434 370097999 /nfs/dbraw/zinc/09/79/99/370097999.db2.gz JBAMPBLIPSTADA-UHFFFAOYSA-N -1 0 278.308 3.209 20 5 CGBDRM CCS[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000166078238 372564188 /nfs/dbraw/zinc/56/41/88/372564188.db2.gz ZKXDIPZUSPKDSJ-LBPRGKRZSA-N -1 0 298.364 3.017 20 5 CGBDRM Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000235921546 376654989 /nfs/dbraw/zinc/65/49/89/376654989.db2.gz ZBDSEIRBSDLKDP-UHFFFAOYSA-N -1 0 286.287 3.170 20 5 CGBDRM CCc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000255058805 377728686 /nfs/dbraw/zinc/72/86/86/377728686.db2.gz UBSKTVDYXRMFFS-FPLPWBNLSA-N -1 0 298.298 3.421 20 5 CGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccoc1C1CC1 ZINC000343625308 378045666 /nfs/dbraw/zinc/04/56/66/378045666.db2.gz FREVRSRFXPPSFP-UHFFFAOYSA-N -1 0 288.259 3.023 20 5 CGBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269291425 378204105 /nfs/dbraw/zinc/20/41/05/378204105.db2.gz PWCDUWDRZKPXON-UHFFFAOYSA-N -1 0 292.335 3.095 20 5 CGBDRM C[C@@H]1CC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000361663984 296275145 /nfs/dbraw/zinc/27/51/45/296275145.db2.gz YNKPKGQFZGTHNM-UWVGGRQHSA-N -1 0 292.335 3.311 20 5 CGBDRM Cc1c(Nc2ncccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000277964522 379273160 /nfs/dbraw/zinc/27/31/60/379273160.db2.gz KZWGENFHMHBKHI-UHFFFAOYSA-N -1 0 287.323 3.353 20 5 CGBDRM Cc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158106133 392555053 /nfs/dbraw/zinc/55/50/53/392555053.db2.gz JSGFTUSBKONFBG-UHFFFAOYSA-N -1 0 290.250 3.000 20 5 CGBDRM CCCC[C@@H](CCC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506699560 392732030 /nfs/dbraw/zinc/73/20/30/392732030.db2.gz TYNRDTQOAYEUIM-GFCCVEGCSA-N -1 0 294.351 3.389 20 5 CGBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000356520761 393471702 /nfs/dbraw/zinc/47/17/02/393471702.db2.gz YPFODENCWOLQDH-UHFFFAOYSA-N -1 0 290.250 3.000 20 5 CGBDRM CC1(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000430284742 393557278 /nfs/dbraw/zinc/55/72/78/393557278.db2.gz NKLMVFXSGBBXFE-UHFFFAOYSA-N -1 0 284.699 3.083 20 5 CGBDRM Cc1cc([N+](=O)[O-])ccc1NC[C@H](CC(C)C)C(=O)[O-] ZINC000094703257 165392342 /nfs/dbraw/zinc/39/23/42/165392342.db2.gz KLYWYRLUVCPGJH-NSHDSACASA-N -1 0 280.324 3.062 20 5 CGBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(O)c1F ZINC000128178232 287305251 /nfs/dbraw/zinc/30/52/51/287305251.db2.gz QOXOYELNKNKYAD-UHFFFAOYSA-N -1 0 290.250 3.000 20 5 CGBDRM C[C@H]1c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436971530 300712903 /nfs/dbraw/zinc/71/29/03/300712903.db2.gz JSXMXGJRXHHQRX-JTQLQIEISA-N -1 0 298.298 3.017 20 5 CGBDRM CC(C)=CCC[C@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567977844 322186231 /nfs/dbraw/zinc/18/62/31/322186231.db2.gz OADAZHWGJSXMTF-JTQLQIEISA-N -1 0 293.323 3.235 20 5 CGBDRM CCCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000141030026 528771281 /nfs/dbraw/zinc/77/12/81/528771281.db2.gz FESIAQOWIZZKAB-SNVBAGLBSA-N -1 0 280.324 3.455 20 5 CGBDRM CC[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000734722629 572677648 /nfs/dbraw/zinc/67/76/48/572677648.db2.gz MQWPDRWPUUZAPW-VHSXEESVSA-N -1 0 266.297 3.049 20 5 CGBDRM C[C@@H](CC(=O)[O-])Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000736555534 572798673 /nfs/dbraw/zinc/79/86/73/572798673.db2.gz FZYXJLUZRLUAHE-LURJTMIESA-N -1 0 298.345 3.160 20 5 CGBDRM O=C([O-])CSc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000236420695 618856006 /nfs/dbraw/zinc/85/60/06/618856006.db2.gz YWSZCVSLHPMZCB-UHFFFAOYSA-N -1 0 282.104 3.078 20 5 CGBDRM C[C@H](CC(=O)[O-])SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000090097713 600204527 /nfs/dbraw/zinc/20/45/27/600204527.db2.gz FCXZVUOFOOOEMR-SSDOTTSWSA-N -1 0 289.740 3.345 20 5 CGBDRM O=C([O-])c1occc1COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051608729 600837104 /nfs/dbraw/zinc/83/71/04/600837104.db2.gz QTNMTDDCMDTYQD-UHFFFAOYSA-N -1 0 297.650 3.118 20 5 CGBDRM C[C@H](CC(=O)[O-])S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000827385750 600839671 /nfs/dbraw/zinc/83/96/71/600839671.db2.gz OPNVFOVXVPSZDH-RKDXNWHRSA-N -1 0 269.322 3.252 20 5 CGBDRM Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000832952283 601302862 /nfs/dbraw/zinc/30/28/62/601302862.db2.gz XCCWSNRZUOSXTN-UHFFFAOYSA-N -1 0 292.316 3.275 20 5 CGBDRM O=C([O-])c1sccc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000110952609 601889314 /nfs/dbraw/zinc/88/93/14/601889314.db2.gz IWYHOVMDJQXALZ-UHFFFAOYSA-N -1 0 297.263 3.073 20 5 CGBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCCCCCC1 ZINC000836925140 634830895 /nfs/dbraw/zinc/83/08/95/634830895.db2.gz WPQWLBPTKALFRX-UHFFFAOYSA-N -1 0 292.335 3.097 20 5 CGBDRM Cc1c2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2ccc1F ZINC001250880082 805792955 /nfs/dbraw/zinc/79/29/55/805792955.db2.gz GMZCPQGWNHZLLN-UHFFFAOYSA-N -1 0 287.250 3.291 20 5 CGBDRM O=c1[nH]ccc(Sc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001162004538 806498927 /nfs/dbraw/zinc/49/89/27/806498927.db2.gz SGDCKXCUVSPIOX-UHFFFAOYSA-N -1 0 288.328 3.335 20 5 CGBDRM Cc1c(F)cccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000163983865 799083205 /nfs/dbraw/zinc/08/32/05/799083205.db2.gz MKCVROUTXVCNMK-UHFFFAOYSA-N -1 0 290.250 3.484 20 5 CGBDRM Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)n1 ZINC000164032455 799083816 /nfs/dbraw/zinc/08/38/16/799083816.db2.gz JEGLZXALIPRUPF-UHFFFAOYSA-N -1 0 287.275 3.048 20 5 CGBDRM O=C([O-])c1ccc(Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000163932027 799084054 /nfs/dbraw/zinc/08/40/54/799084054.db2.gz NNBOFCPOZBSKRG-UHFFFAOYSA-N -1 0 276.223 3.176 20 5 CGBDRM O=C([O-])c1cc(Nc2ccc(C3CC3)nc2)cc([N+](=O)[O-])c1 ZINC001176671846 809739951 /nfs/dbraw/zinc/73/99/51/809739951.db2.gz ARXXUVQNQLDWSM-UHFFFAOYSA-N -1 0 299.286 3.309 20 5 CGBDRM COc1ccc(C)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210395033 814442052 /nfs/dbraw/zinc/44/20/52/814442052.db2.gz OATKODWPOBDNPV-UHFFFAOYSA-N -1 0 274.276 3.361 20 5 CGBDRM O=[N+]([O-])c1cc(Nc2ccc(F)c(F)c2)ccc1[O-] ZINC001210394805 814442644 /nfs/dbraw/zinc/44/26/44/814442644.db2.gz IESCXKRHMHDSJP-UHFFFAOYSA-N -1 0 266.203 3.322 20 5 CGBDRM O=[N+]([O-])c1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001216484830 815839943 /nfs/dbraw/zinc/83/99/43/815839943.db2.gz QMNGEQIPYBZYHQ-UHFFFAOYSA-N -1 0 284.193 3.461 20 5 CGBDRM C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1cccnc1Cl ZINC001225488235 817071970 /nfs/dbraw/zinc/07/19/70/817071970.db2.gz DGNMQVMRBIDKTP-MRVPVSSYSA-N -1 0 294.694 3.489 20 5 CGBDRM C[C@@H](Cc1ccccc1)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225492324 817073032 /nfs/dbraw/zinc/07/30/32/817073032.db2.gz VYEFFTGCRSURHH-NSHDSACASA-N -1 0 273.288 3.310 20 5 CGBDRM Cc1ccc([C@H](C)Oc2cccc([O-])c2[N+](=O)[O-])cn1 ZINC001225619616 817115841 /nfs/dbraw/zinc/11/58/41/817115841.db2.gz FKTPKPGWTAEHFX-JTQLQIEISA-N -1 0 274.276 3.144 20 5 CGBDRM COc1ccccc1[C@@H](C)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225621761 817116367 /nfs/dbraw/zinc/11/63/67/817116367.db2.gz CVEBFXIMRBXITQ-SNVBAGLBSA-N -1 0 289.287 3.449 20 5 CGBDRM C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cccnc1Cl ZINC001225623093 817116807 /nfs/dbraw/zinc/11/68/07/817116807.db2.gz LVVXAFTXMUPDCL-MRVPVSSYSA-N -1 0 294.694 3.489 20 5 CGBDRM CC1(C)CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666772 817133235 /nfs/dbraw/zinc/13/32/35/817133235.db2.gz MDLYPOCRHFQNPF-VIFPVBQESA-N -1 0 266.297 3.043 20 5 CGBDRM C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001225666501 817133355 /nfs/dbraw/zinc/13/33/55/817133355.db2.gz JSQYWYITGCEDNM-QMMMGPOBSA-N -1 0 294.694 3.489 20 5 CGBDRM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cccc([S-])c1)C2 ZINC001226014852 817250313 /nfs/dbraw/zinc/25/03/13/817250313.db2.gz AQJKPKUMQRHGMS-CQSZACIVSA-N -1 0 287.340 3.430 20 5 CGBDRM CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C1=CC=C[CH]1 ZINC001226530580 817388551 /nfs/dbraw/zinc/38/85/51/817388551.db2.gz DPAHFCMVQBYLSJ-NSHDSACASA-N -1 0 272.280 3.265 20 5 CGBDRM CCCC(CCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228604566 817951525 /nfs/dbraw/zinc/95/15/25/817951525.db2.gz UVZOUBPUJMRDJW-UHFFFAOYSA-N -1 0 295.339 3.315 20 5 CGBDRM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001593615160 953497558 /nfs/dbraw/zinc/49/75/58/953497558.db2.gz VXULLZCRDZZSBJ-CPCISQLKSA-N -1 0 286.715 3.159 20 5 CGBDRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccco1 ZINC000226857872 959903843 /nfs/dbraw/zinc/90/38/43/959903843.db2.gz YJRFYGYHSYISGV-UHFFFAOYSA-N -1 0 296.666 3.152 20 5 CGBDRM C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001594276865 960516793 /nfs/dbraw/zinc/51/67/93/960516793.db2.gz ITVKZXRUPHSLPH-NKWVEPMBSA-N -1 0 284.699 3.014 20 5 CGBDRM CCC1(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595392612 980953084 /nfs/dbraw/zinc/95/30/84/980953084.db2.gz ZDZDIDKMHUNXOS-GQCTYLIASA-N -1 0 276.292 3.047 20 5 CGBDRM COc1cc(Oc2ccsc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC001599457880 998218993 /nfs/dbraw/zinc/21/89/93/998218993.db2.gz SQWBYOWFWZNAPO-UHFFFAOYSA-N -1 0 295.272 3.155 20 5 CGBDRM CC1=CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001594115064 998245055 /nfs/dbraw/zinc/24/50/55/998245055.db2.gz WMVYUAMYBYSIJU-UHFFFAOYSA-N -1 0 296.710 3.103 20 5 CGBDRM Cc1ncc(CSCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000593189237 347049609 /nfs/dbraw/zinc/04/96/09/347049609.db2.gz YPGPSFCGSUAVFM-UHFFFAOYSA-N -1 0 296.373 3.499 20 5 CGBDRM Cc1cc(CSCc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000593188143 347049871 /nfs/dbraw/zinc/04/98/71/347049871.db2.gz WJEAHFFSBHBEFK-UHFFFAOYSA-N -1 0 280.305 3.030 20 5 CGBDRM COC1(CCSCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000593199541 347051827 /nfs/dbraw/zinc/05/18/27/347051827.db2.gz PNAUOZSKBNFKOY-UHFFFAOYSA-N -1 0 297.376 3.493 20 5 CGBDRM Cc1c(NC(=O)c2c([O-])cccc2F)cccc1[N+](=O)[O-] ZINC000163854868 232258419 /nfs/dbraw/zinc/25/84/19/232258419.db2.gz 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ZINC000739623490 572421149 /nfs/dbraw/zinc/42/11/49/572421149.db2.gz FXGOUWWCLVRUFR-UPZNUWHASA-N -1 0 288.303 3.213 20 5 CGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccoc2)cc1Cl ZINC000833306709 602253511 /nfs/dbraw/zinc/25/35/11/602253511.db2.gz FNGWVALMMBKKEM-UHFFFAOYSA-N -1 0 296.666 3.152 20 5 CGBDRM O=C([O-])NCc1cccc(Oc2sccc2[N+](=O)[O-])c1 ZINC000834247347 605992543 /nfs/dbraw/zinc/99/25/43/605992543.db2.gz PQXYZNQUDVDZCZ-UHFFFAOYSA-N -1 0 294.288 3.216 20 5 CGBDRM CCC[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000841141186 635126214 /nfs/dbraw/zinc/12/62/14/635126214.db2.gz FWXHBRJSGJTMQR-BJPMOSCESA-N -1 0 278.308 3.293 20 5 CGBDRM CC(C)(COC(=O)c1ccc([N+](=O)[O-])[n-]1)CC(F)(F)F ZINC000851246783 637319561 /nfs/dbraw/zinc/31/95/61/637319561.db2.gz QKJUPBWCGHDTTM-UHFFFAOYSA-N -1 0 294.229 3.058 20 5 CGBDRM COc1cc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2cc1C ZINC001250853893 805787998 /nfs/dbraw/zinc/78/79/98/805787998.db2.gz JAIIERWJTVLKDZ-UHFFFAOYSA-N -1 0 299.286 3.161 20 5 CGBDRM Cc1cc2nc(-c3cc([O-])ccc3[N+](=O)[O-])[nH]c2cc1C ZINC001250854289 805788530 /nfs/dbraw/zinc/78/85/30/805788530.db2.gz PDLPCDQWYKKUKG-UHFFFAOYSA-N -1 0 283.287 3.461 20 5 CGBDRM Cc1cccc2c1nc(-c1ccc([N+](=O)[O-])c([O-])c1)n2C ZINC001250881097 805792622 /nfs/dbraw/zinc/79/26/22/805792622.db2.gz SUROJLJBDGQWCA-UHFFFAOYSA-N -1 0 283.287 3.163 20 5 CGBDRM O=C([O-])c1cc(N2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000087777744 798947597 /nfs/dbraw/zinc/94/75/97/798947597.db2.gz KNKNXKRBJYXFFR-GWCFXTLKSA-N -1 0 290.319 3.062 20 5 CGBDRM CCCCCc1nnc(-c2ccc([O-])cc2[N+](=O)[O-])o1 ZINC001256144426 806833795 /nfs/dbraw/zinc/83/37/95/806833795.db2.gz GVYOBFNGJMZHHG-UHFFFAOYSA-N -1 0 277.280 3.083 20 5 CGBDRM O=C([O-])c1ccc(Nc2ncccc2Cl)cc1[N+](=O)[O-] ZINC001174503867 809052358 /nfs/dbraw/zinc/05/23/58/809052358.db2.gz ZVDMULOFTCVMMV-UHFFFAOYSA-N -1 0 293.666 3.085 20 5 CGBDRM O=C([O-])c1ccc(Nc2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC001174502479 809052693 /nfs/dbraw/zinc/05/26/93/809052693.db2.gz QBPZWGOTLLPJTN-UHFFFAOYSA-N -1 0 293.666 3.085 20 5 CGBDRM O=C([O-])c1cc(Nc2cnccc2Cl)cc([N+](=O)[O-])c1 ZINC001176673158 809740967 /nfs/dbraw/zinc/74/09/67/809740967.db2.gz SQILYQDMMBHADJ-UHFFFAOYSA-N -1 0 293.666 3.085 20 5 CGBDRM Cc1ccc([N-]c2noc3cccnc32)c([N+](=O)[O-])c1 ZINC001214165068 815375188 /nfs/dbraw/zinc/37/51/88/815375188.db2.gz KSBLFGFHIADRCA-UHFFFAOYSA-N -1 0 270.248 3.183 20 5 CGBDRM COc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC001210394978 814441573 /nfs/dbraw/zinc/44/15/73/814441573.db2.gz LJUKSKBKIXGYMR-UHFFFAOYSA-N -1 0 278.239 3.192 20 5 CGBDRM CC(=O)c1ccc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210399727 814445658 /nfs/dbraw/zinc/44/56/58/814445658.db2.gz ZGNXKKYGJBCQBK-UHFFFAOYSA-N -1 0 290.250 3.386 20 5 CGBDRM Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC001216563954 815859425 /nfs/dbraw/zinc/85/94/25/815859425.db2.gz PQUBBUHNIISZDA-UHFFFAOYSA-N -1 0 297.270 3.326 20 5 CGBDRM Cc1cccc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)c1 ZINC001216845407 815898414 /nfs/dbraw/zinc/89/84/14/815898414.db2.gz NBGJRGVUWMSJKD-UHFFFAOYSA-N -1 0 297.270 3.326 20 5 CGBDRM C[C@H](OCCc1ccc([N+](=O)[O-])cc1)C1=CC=C[CH]1 ZINC001224330956 816778492 /nfs/dbraw/zinc/77/84/92/816778492.db2.gz MPZWOIXACCGVRQ-LBPRGKRZSA-N -1 0 258.297 3.243 20 5 CGBDRM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccccc1[S-])C2 ZINC001225582902 817101149 /nfs/dbraw/zinc/10/11/49/817101149.db2.gz ARRCZMOJQWSFGC-ZDUSSCGKSA-N -1 0 287.340 3.430 20 5 CGBDRM C[C@H](COc1ccccc1)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225620758 817116011 /nfs/dbraw/zinc/11/60/11/817116011.db2.gz UJNWNLUKEQDWPI-LLVKDONJSA-N -1 0 289.287 3.147 20 5 CGBDRM C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cnc2ccccn21 ZINC001225624400 817117213 /nfs/dbraw/zinc/11/72/13/817117213.db2.gz XTKJIDLSHJCFAR-JTQLQIEISA-N -1 0 299.286 3.088 20 5 CGBDRM Cc1ccc([C@H](C)Oc2[nH]ccc(=O)c2[N+](=O)[O-])cc1 ZINC001225665480 817132683 /nfs/dbraw/zinc/13/26/83/817132683.db2.gz AQCOUXWFSNBRKH-JTQLQIEISA-N -1 0 274.276 3.144 20 5 CGBDRM CCCC[C@@H](CCC)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225666708 817133086 /nfs/dbraw/zinc/13/30/86/817133086.db2.gz LDLJJGKJTPBGFI-SNVBAGLBSA-N -1 0 268.313 3.433 20 5 CGBDRM CCC[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226335450 817330835 /nfs/dbraw/zinc/33/08/35/817330835.db2.gz HZUMRTLVDYQFDP-GFCCVEGCSA-N -1 0 289.291 3.011 20 5 CGBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCCCCC2)cc1[O-] ZINC001231223313 818060411 /nfs/dbraw/zinc/06/04/11/818060411.db2.gz FSUGVBUKIMYXFZ-UHFFFAOYSA-N -1 0 296.279 3.310 20 5 CGBDRM C[C@@H](Oc1cc(F)c([N+](=O)[O-])cc1F)C1=CC=C[CH]1 ZINC001233601982 818656072 /nfs/dbraw/zinc/65/60/72/818656072.db2.gz ZUJFKQZQJCMCCL-MRVPVSSYSA-N -1 0 266.223 3.341 20 5 CGBDRM O=C(Nc1ccc2c(c1)CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC001440587574 937331657 /nfs/dbraw/zinc/33/16/57/937331657.db2.gz FGAGKRBAKZWZAX-UHFFFAOYSA-N -1 0 298.298 3.041 20 5 CGBDRM C=C/C=C/CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001446828197 937365017 /nfs/dbraw/zinc/36/50/17/937365017.db2.gz KQLAZQMIKRYZLM-ONEGZZNKSA-N -1 0 282.683 3.025 20 5 CGBDRM CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC001449792029 937381698 /nfs/dbraw/zinc/38/16/98/937381698.db2.gz SZAKHFBADVFILV-GFCCVEGCSA-N -1 0 294.351 3.245 20 5 CGBDRM CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC001449792037 937381781 /nfs/dbraw/zinc/38/17/81/937381781.db2.gz SZAKHFBADVFILV-LBPRGKRZSA-N -1 0 294.351 3.245 20 5 CGBDRM CCCCC[C@H](C)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228969721 932060874 /nfs/dbraw/zinc/06/08/74/932060874.db2.gz ATWCDNOJAVQUMZ-VIFPVBQESA-N -1 0 269.297 3.354 20 5 CGBDRM Cc1cc(O)c(O[C@@H](C)C2=CC=C[CH]2)cc1[N+](=O)[O-] ZINC001229755512 932481246 /nfs/dbraw/zinc/48/12/46/932481246.db2.gz XZUJWQOSKXTSSN-JTQLQIEISA-N -1 0 260.269 3.077 20 5 CGBDRM O=C([O-])CCc1cccc(Nc2ccccc2[N+](=O)[O-])c1 ZINC001595066498 951552078 /nfs/dbraw/zinc/55/20/78/951552078.db2.gz MSSQZWGLPGKRHF-UHFFFAOYSA-N -1 0 286.287 3.356 20 5 CGBDRM Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000013085571 956937471 /nfs/dbraw/zinc/93/74/71/956937471.db2.gz BOCSVPKVJJRTEL-UHFFFAOYSA-N -1 0 287.271 3.180 20 5 CGBDRM CC(C)(C)CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000049254809 957476156 /nfs/dbraw/zinc/47/61/56/957476156.db2.gz PCTNIJJEARRXSJ-UHFFFAOYSA-N -1 0 267.281 3.108 20 5 CGBDRM C[C@H](CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000086110959 957953327 /nfs/dbraw/zinc/95/33/27/957953327.db2.gz KEYFFDLBZUVXRN-ZCFIWIBFSA-N -1 0 275.713 3.061 20 5 CGBDRM Cc1cc(NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])s1 ZINC001594325784 958171902 /nfs/dbraw/zinc/17/19/02/958171902.db2.gz IZXNOSWGPRFMTK-UHFFFAOYSA-N -1 0 292.316 3.275 20 5 CGBDRM C[C@H]1CC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000230429333 960152418 /nfs/dbraw/zinc/15/24/18/960152418.db2.gz INKZNBUJRGIYCU-UWVGGRQHSA-N -1 0 278.308 3.141 20 5 CGBDRM CC(C)(C)CCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000312168378 963540530 /nfs/dbraw/zinc/54/05/30/963540530.db2.gz JARIICZQCLAGPB-UHFFFAOYSA-N -1 0 281.308 3.498 20 5 CGBDRM O=C([O-])c1ccc(Oc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000312263436 963549086 /nfs/dbraw/zinc/54/90/86/963549086.db2.gz OXXAWZZAMRSEKA-UHFFFAOYSA-N -1 0 294.650 3.134 20 5 CGBDRM Cc1ccc(Sc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000312737995 963588593 /nfs/dbraw/zinc/58/85/93/963588593.db2.gz XIRNWYQZFGBKIB-UHFFFAOYSA-N -1 0 290.300 3.148 20 5 CGBDRM O=C([O-])C1(CCSCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001605950753 972911407 /nfs/dbraw/zinc/91/14/07/972911407.db2.gz NHMFPPIOQNGBLJ-UHFFFAOYSA-N -1 0 295.360 3.473 20 5 CGBDRM CCCCC[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595687655 982180769 /nfs/dbraw/zinc/18/07/69/982180769.db2.gz RKHYANAOYASBQR-LLVKDONJSA-N -1 0 298.314 3.488 20 5 CGBDRM CC(C)[C@]1(C)C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001591062184 991507441 /nfs/dbraw/zinc/50/74/41/991507441.db2.gz SYXADGFCYQDGTC-HIFRSBDPSA-N -1 0 292.335 3.068 20 5 CGBDRM CC1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001594032704 997616718 /nfs/dbraw/zinc/61/67/18/997616718.db2.gz SFUVRFAXESZNCQ-GQCTYLIASA-N -1 0 290.319 3.295 20 5 CGBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000592980481 347022509 /nfs/dbraw/zinc/02/25/09/347022509.db2.gz JCDKDDUVPHJMIO-UHFFFAOYSA-N -1 0 284.337 3.103 20 5 CGBDRM Cc1sc(/C=C/c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-] ZINC000339114758 214963143 /nfs/dbraw/zinc/96/31/43/214963143.db2.gz UVDMZJWKSFYSCC-AATRIKPKSA-N -1 0 290.300 3.228 20 5 CGBDRM CC(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092548874 345844512 /nfs/dbraw/zinc/84/45/12/345844512.db2.gz SECBLSKSOQPWMA-UHFFFAOYSA-N -1 0 266.297 3.065 20 5 CGBDRM O=C(CCC1CCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351764524 219199336 /nfs/dbraw/zinc/19/93/36/219199336.db2.gz QAOCPJSOORPCCH-UHFFFAOYSA-N -1 0 298.726 3.473 20 5 CGBDRM C[N@H+](CCC(C)(C)C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737763 347109449 /nfs/dbraw/zinc/10/94/49/347109449.db2.gz SWNDIONKKREIAC-UHFFFAOYSA-N -1 0 294.351 3.161 20 5 CGBDRM Cc1nc(CSCc2cc([O-])ccc2[N+](=O)[O-])co1 ZINC000594569767 347194956 /nfs/dbraw/zinc/19/49/56/347194956.db2.gz RMMVGNWEIDPEOZ-UHFFFAOYSA-N -1 0 280.305 3.030 20 5 CGBDRM CC(C)[C@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000595277482 347286255 /nfs/dbraw/zinc/28/62/55/347286255.db2.gz KZUXUZJHVSYKDC-HNNXBMFYSA-N -1 0 292.335 3.068 20 5 CGBDRM Cc1cc(NCC2=CCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000595277964 347286402 /nfs/dbraw/zinc/28/64/02/347286402.db2.gz SHFLLXDUHHASOD-UHFFFAOYSA-N -1 0 276.292 3.124 20 5 CGBDRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598463361 347660259 /nfs/dbraw/zinc/66/02/59/347660259.db2.gz XKIQXLWBZFPOKY-CMPLNLGQSA-N -1 0 292.335 3.094 20 5 CGBDRM CCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000601939816 347927300 /nfs/dbraw/zinc/92/73/00/347927300.db2.gz NQSZFZQDWHEBHC-UHFFFAOYSA-N -1 0 279.271 3.017 20 5 CGBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000179417547 189193216 /nfs/dbraw/zinc/19/32/16/189193216.db2.gz LTRRMVKCJKNECA-UHFFFAOYSA-N -1 0 292.335 3.095 20 5 CGBDRM COc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000019844532 368773263 /nfs/dbraw/zinc/77/32/63/368773263.db2.gz IRFQWOFKZQPHOG-UHFFFAOYSA-N -1 0 288.259 3.045 20 5 CGBDRM Cc1ccsc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000048380340 369345250 /nfs/dbraw/zinc/34/52/50/369345250.db2.gz FOCDRUUAYKREHG-NSCUHMNNSA-N -1 0 290.300 3.228 20 5 CGBDRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539970471 376350365 /nfs/dbraw/zinc/35/03/65/376350365.db2.gz DGCFEQPBKPZSOQ-GHMZBOCLSA-N -1 0 292.335 3.455 20 5 CGBDRM O=C([O-])Cc1ccc(NCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000514604599 249182104 /nfs/dbraw/zinc/18/21/04/249182104.db2.gz FQHDFOVAKUZDPF-UHFFFAOYSA-N -1 0 290.319 3.134 20 5 CGBDRM CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000343868845 378118707 /nfs/dbraw/zinc/11/87/07/378118707.db2.gz AVXJVNNXKIXOOM-UHFFFAOYSA-N -1 0 278.308 3.065 20 5 CGBDRM C[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)C1 ZINC000357404712 381147709 /nfs/dbraw/zinc/14/77/09/381147709.db2.gz NHEBKPRPZZSVSX-NXEZZACHSA-N -1 0 292.335 3.311 20 5 CGBDRM CC(C)=CCC[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452544996 394082689 /nfs/dbraw/zinc/08/26/89/394082689.db2.gz UAFDHKFWLVYDNE-LLVKDONJSA-N -1 0 292.335 3.165 20 5 CGBDRM CCCC[C@H](CC)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029709601 286883243 /nfs/dbraw/zinc/88/32/43/286883243.db2.gz KBGNPVFLZAENPT-NSHDSACASA-N -1 0 294.351 3.247 20 5 CGBDRM CC(C)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092545904 165301079 /nfs/dbraw/zinc/30/10/79/165301079.db2.gz SNPGEJXATMCKOK-UHFFFAOYSA-N -1 0 298.364 3.018 20 5 CGBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2ccccc21 ZINC000120151413 287178720 /nfs/dbraw/zinc/17/87/20/287178720.db2.gz DZGMRSOJOXPHSZ-JTQLQIEISA-N -1 0 298.298 3.064 20 5 CGBDRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1F ZINC000228071700 270087553 /nfs/dbraw/zinc/08/75/53/270087553.db2.gz DCDACMFGOQIDCW-UHFFFAOYSA-N -1 0 290.250 3.000 20 5 CGBDRM C[C@@H]1c2ccccc2CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339008876 289080061 /nfs/dbraw/zinc/08/00/61/289080061.db2.gz ALABJMFQFMOUOF-LLVKDONJSA-N -1 0 284.315 3.377 20 5 CGBDRM CCC[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000166091179 321906958 /nfs/dbraw/zinc/90/69/58/321906958.db2.gz CEEBDEVSRBPHOT-LLVKDONJSA-N -1 0 280.324 3.311 20 5 CGBDRM CC(C)(C)Oc1cc(SCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000565038844 322055956 /nfs/dbraw/zinc/05/59/56/322055956.db2.gz UTPSOWHYHJDLLA-UHFFFAOYSA-N -1 0 299.348 3.339 20 5 CGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(SC2CCCC2)n1 ZINC000570282885 322269873 /nfs/dbraw/zinc/26/98/73/322269873.db2.gz IRGIGUUPPAWKCN-UHFFFAOYSA-N -1 0 282.321 3.031 20 5 CGBDRM CC(C)CSCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397198110 329344384 /nfs/dbraw/zinc/34/43/84/329344384.db2.gz UBYGGQONYUAJHD-UHFFFAOYSA-N -1 0 298.364 3.094 20 5 CGBDRM CC(C)n1ccnc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412987628 528610676 /nfs/dbraw/zinc/61/06/76/528610676.db2.gz JVOCLZAPDZLDSN-UHFFFAOYSA-N -1 0 293.348 3.370 20 5 CGBDRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000476499483 535818669 /nfs/dbraw/zinc/81/86/69/535818669.db2.gz LFCNFKWADJVGPC-PWSUYJOCSA-N -1 0 292.335 3.455 20 5 CGBDRM CC1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736799006 572814095 /nfs/dbraw/zinc/81/40/95/572814095.db2.gz LKNLURKCRGDMGC-UHFFFAOYSA-N -1 0 298.726 3.183 20 5 CGBDRM CCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000736998530 572834467 /nfs/dbraw/zinc/83/44/67/572834467.db2.gz KPZSBKJIFUQQPR-UHFFFAOYSA-N -1 0 272.688 3.158 20 5 CGBDRM Cc1ccc([N+](=O)[O-])cc1NCc1ccc(C(=O)[O-])cc1 ZINC000041571798 600305614 /nfs/dbraw/zinc/30/56/14/600305614.db2.gz ODJABQUPLQAHCT-UHFFFAOYSA-N -1 0 286.287 3.214 20 5 CGBDRM CC(C)(C)CCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000121529768 600399675 /nfs/dbraw/zinc/39/96/75/600399675.db2.gz YKGCNRFJWOCKGN-UHFFFAOYSA-N -1 0 294.307 3.058 20 5 CGBDRM Cc1cc(Nc2ccc(NC(=O)[O-])cc2)ncc1[N+](=O)[O-] ZINC000832898876 600987137 /nfs/dbraw/zinc/98/71/37/600987137.db2.gz 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809522551 /nfs/dbraw/zinc/52/25/51/809522551.db2.gz ASAQXDSCKXXTRW-UHFFFAOYSA-N -1 0 283.646 3.232 20 5 CGBDRM Cc1ccc([N-]c2noc(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC001214165211 815375327 /nfs/dbraw/zinc/37/53/27/815375327.db2.gz OEBMASNTHNSUKU-UHFFFAOYSA-N -1 0 276.296 3.327 20 5 CGBDRM O=[N+]([O-])c1cccc([N-]c2nnc(-c3ccco3)o2)c1F ZINC001210378701 814432512 /nfs/dbraw/zinc/43/25/12/814432512.db2.gz NOMQCTMXWOGEDQ-UHFFFAOYSA-N -1 0 290.210 3.121 20 5 CGBDRM O=[N+]([O-])c1cc(Nc2c(F)cc(F)cc2F)ccc1[O-] ZINC001210400187 814445825 /nfs/dbraw/zinc/44/58/25/814445825.db2.gz FAELPXYQPOYOLT-UHFFFAOYSA-N -1 0 284.193 3.461 20 5 CGBDRM CC(C)[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC001225488348 817072093 /nfs/dbraw/zinc/07/20/93/817072093.db2.gz FERKUYYROJDBOJ-JTQLQIEISA-N -1 0 279.214 3.266 20 5 CGBDRM C[C@H]1CCC[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225492658 817073399 /nfs/dbraw/zinc/07/33/99/817073399.db2.gz ZLENPCDIPQRNDC-ONGXEEELSA-N -1 0 251.282 3.258 20 5 CGBDRM 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CC(C)(C)CCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436959129 527661356 /nfs/dbraw/zinc/66/13/56/527661356.db2.gz FZRLLNPXAZAGOV-UHFFFAOYSA-N -1 0 294.351 3.247 20 5 CGBDRM CCC(CC)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436670436 528743614 /nfs/dbraw/zinc/74/36/14/528743614.db2.gz FSDRVYXFPIMWLJ-UHFFFAOYSA-N -1 0 294.351 3.199 20 5 CGBDRM CC(C)[C@H](C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736355216 572783791 /nfs/dbraw/zinc/78/37/91/572783791.db2.gz MMYWPKKMFNSFKV-JPVGGKMYSA-N -1 0 292.335 3.397 20 5 CGBDRM CC(C)(C)[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000160207682 605382484 /nfs/dbraw/zinc/38/24/84/605382484.db2.gz YZTBUHVHVGRGFP-NSHDSACASA-N -1 0 292.335 3.165 20 5 CGBDRM CCCCC[C@@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000312780181 619147896 /nfs/dbraw/zinc/14/78/96/619147896.db2.gz NEARZRLVYLXIGS-SECBINFHSA-N -1 0 281.312 3.069 20 5 CGBDRM Cc1ccc(F)c([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000764710689 627219508 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O=C([O-])c1cc(Nc2cccnc2C2CC2)cc([N+](=O)[O-])c1 ZINC001176673186 809740735 /nfs/dbraw/zinc/74/07/35/809740735.db2.gz UDYIAQRHVVWPBZ-UHFFFAOYSA-N -1 0 299.286 3.309 20 5 CGBDRM CN1CCc2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccc21 ZINC001210398492 814443839 /nfs/dbraw/zinc/44/38/39/814443839.db2.gz GGJPYVZVPSMPCF-UHFFFAOYSA-N -1 0 285.303 3.036 20 5 CGBDRM O=c1ccc2cccc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2[nH]1 ZINC001210399086 814445616 /nfs/dbraw/zinc/44/56/16/814445616.db2.gz NCRVPRVGWHVTLY-UHFFFAOYSA-N -1 0 297.270 3.298 20 5 CGBDRM CC[C@H](C[C@@H](C)CC)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225666087 817133000 /nfs/dbraw/zinc/13/30/00/817133000.db2.gz GDTLRDGFNCCOQF-VHSXEESVSA-N -1 0 268.313 3.289 20 5 CGBDRM O=[N+]([O-])c1ccc2[nH]c(OC3CCC(F)(F)CC3)nc2c1 ZINC001227746857 817710833 /nfs/dbraw/zinc/71/08/33/817710833.db2.gz WHBUJTHMDLONCV-UHFFFAOYSA-N -1 0 297.261 3.428 20 5 CGBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)CCC(C)C)[n-]1 ZINC001231259797 818065484 /nfs/dbraw/zinc/06/54/84/818065484.db2.gz 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O=[N+]([O-])c1cc(Nc2cccc3snnc32)ccc1[O-] ZINC001210398108 814444141 /nfs/dbraw/zinc/44/41/41/814444141.db2.gz QNFSXMKWRVVWMO-UHFFFAOYSA-N -1 0 288.288 3.049 20 5 CGBDRM COc1c(F)cc(F)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210397610 814444361 /nfs/dbraw/zinc/44/43/61/814444361.db2.gz ALPKODDEOAWQSG-UHFFFAOYSA-N -1 0 296.229 3.331 20 5 CGBDRM O=[N+]([O-])c1cc(Nc2cc(CO)ccc2Cl)ccc1[O-] ZINC001210397536 814444586 /nfs/dbraw/zinc/44/45/86/814444586.db2.gz FCYAWPLWDBWHNP-UHFFFAOYSA-N -1 0 294.694 3.190 20 5 CGBDRM COc1cc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c(F)c1 ZINC001210400177 814445424 /nfs/dbraw/zinc/44/54/24/814445424.db2.gz DOZLYTQPLFYIBR-UHFFFAOYSA-N -1 0 296.229 3.331 20 5 CGBDRM Cc1ccc(O)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210399646 814445669 /nfs/dbraw/zinc/44/56/69/814445669.db2.gz XHUSSMZDKJUYLV-UHFFFAOYSA-N -1 0 260.249 3.058 20 5 CGBDRM O=[N+]([O-])c1cc(Nc2cc(F)c(F)c(F)c2)ccc1[O-] ZINC001210400726 814446075 /nfs/dbraw/zinc/44/60/75/814446075.db2.gz 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981026392 /nfs/dbraw/zinc/02/63/92/981026392.db2.gz AJYHFMPMQMHBGA-MNOVXSKESA-N -1 0 292.335 3.369 20 5 CGBDRM CC[C@H]1CC[C@H](C)N1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001595415183 981026679 /nfs/dbraw/zinc/02/66/79/981026679.db2.gz AJYHFMPMQMHBGA-QWRGUYRKSA-N -1 0 292.335 3.369 20 5 CGBDRM CC[C@@H](C)C[C@H](Nc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594953923 982683334 /nfs/dbraw/zinc/68/33/34/982683334.db2.gz XSDVGTSDHSMLII-SKDRFNHKSA-N -1 0 280.324 3.205 20 5 CGBDRM CC(C)C1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001591096545 991688854 /nfs/dbraw/zinc/68/88/54/991688854.db2.gz IWUFUOSJJYGJQM-UHFFFAOYSA-N -1 0 298.726 3.039 20 5 CGBDRM O=[N+]([O-])c1ccc([O-])cc1CSCC[C@H]1CCCO1 ZINC000593193325 347050407 /nfs/dbraw/zinc/05/04/07/347050407.db2.gz UVRFBNBDKJQZOZ-GFCCVEGCSA-N -1 0 283.349 3.103 20 5 CGBDRM CCc1nc(Sc2cc[nH]c(=O)c2[N+](=O)[O-])sc1C ZINC000596290647 347411408 /nfs/dbraw/zinc/41/14/08/347411408.db2.gz QTIVTBGTTCKUTH-UHFFFAOYSA-N -1 0 297.361 3.174 20 5 CGBDRM 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/nfs/dbraw/zinc/44/77/18/814447718.db2.gz POWNLPXMTHPAFT-UHFFFAOYSA-N -1 0 278.239 3.192 20 5 CGBDRM Cc1cc(C)c(O)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210401720 814447785 /nfs/dbraw/zinc/44/77/85/814447785.db2.gz YCECDKFRSHUYJN-UHFFFAOYSA-N -1 0 274.276 3.366 20 5 CGBDRM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CC2CCC1CC2 ZINC001225620925 817115198 /nfs/dbraw/zinc/11/51/98/817115198.db2.gz XYKFWGUUFHORSE-SRHKJQAYSA-N -1 0 263.293 3.258 20 5 CGBDRM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CCOc2ccccc21 ZINC001225620658 817115618 /nfs/dbraw/zinc/11/56/18/817115618.db2.gz SBBXULWFLNAJGQ-CYBMUJFWSA-N -1 0 287.271 3.203 20 5 CGBDRM COc1ccc(O[C@H](C)C2=CC=C[CH]2)c([N+](=O)[O-])c1 ZINC001225769525 817172842 /nfs/dbraw/zinc/17/28/42/817172842.db2.gz MFWWGSZAATUOAP-SNVBAGLBSA-N -1 0 260.269 3.071 20 5 CGBDRM C[C@H](Cc1ccccc1)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227745263 817710589 /nfs/dbraw/zinc/71/05/89/817710589.db2.gz LKRLSPQEOBSVSB-LLVKDONJSA-N -1 0 297.314 3.481 20 5 CGBDRM CCC[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228602888 817951946 /nfs/dbraw/zinc/95/19/46/817951946.db2.gz GWMLTLSGZLXKMG-JTQLQIEISA-N -1 0 295.339 3.171 20 5 CGBDRM CCC[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001231223850 818061818 /nfs/dbraw/zinc/06/18/18/818061818.db2.gz KAQODZPEVHWTBL-LBPRGKRZSA-N -1 0 298.295 3.412 20 5 CGBDRM O=[N+]([O-])c1cc2nc(O[C@@H]3C=CCC3)[nH]c2cc1Cl ZINC001233505809 818628510 /nfs/dbraw/zinc/62/85/10/818628510.db2.gz HJZFBSZSDFDOMY-SSDOTTSWSA-N -1 0 279.683 3.222 20 5 CGBDRM CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCCC1 ZINC001450668512 937387206 /nfs/dbraw/zinc/38/72/06/937387206.db2.gz GEGFKBJUJCPYQC-UHFFFAOYSA-N -1 0 292.335 3.001 20 5 CGBDRM CC[C@@H]1CCCC[C@H]1Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228971947 932062373 /nfs/dbraw/zinc/06/23/73/932062373.db2.gz TVHPXBWJKHLFGP-BXKDBHETSA-N -1 0 281.308 3.354 20 5 CGBDRM C[C@@H]1CCCC[C@H]1Oc1cc([N+](=O)[O-])ccc1O ZINC001229394726 932143823 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O=[N+]([O-])c1ccc([O-])cc1CSCC[C@@H]1CCCCO1 ZINC000596390397 347443045 /nfs/dbraw/zinc/44/30/45/347443045.db2.gz FZKVKFRYWLEOPM-ZDUSSCGKSA-N -1 0 297.376 3.493 20 5 CGBDRM CC1(C)C[C@@H](SCc2cc([O-])ccc2[N+](=O)[O-])CO1 ZINC000600572019 347810096 /nfs/dbraw/zinc/81/00/96/347810096.db2.gz OTOZCUIOUVMZLZ-LLVKDONJSA-N -1 0 283.349 3.101 20 5 CGBDRM CSc1ccncc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610544153 348389489 /nfs/dbraw/zinc/38/94/89/348389489.db2.gz PDWUXJKNGSPUTK-UHFFFAOYSA-N -1 0 295.345 3.026 20 5 CGBDRM CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179407313 373869788 /nfs/dbraw/zinc/86/97/88/373869788.db2.gz DNMUQVIYNPNZMF-UHFFFAOYSA-N -1 0 286.287 3.115 20 5 CGBDRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000450392847 374099685 /nfs/dbraw/zinc/09/96/85/374099685.db2.gz PROPIUOEOASUQC-MWLCHTKSSA-N -1 0 278.308 3.065 20 5 CGBDRM O=C(Nc1ccccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184781353 374558361 /nfs/dbraw/zinc/55/83/61/374558361.db2.gz HUCXBCJYJTVBIL-UHFFFAOYSA-N -1 0 292.678 3.206 20 5 CGBDRM CCC(CC)CN(CC)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232863962 376589777 /nfs/dbraw/zinc/58/97/77/376589777.db2.gz RJKNVFIRKGABMZ-UHFFFAOYSA-N -1 0 294.351 3.199 20 5 CGBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000339028663 376636136 /nfs/dbraw/zinc/63/61/36/376636136.db2.gz COUSHFYVISNUGN-UHFFFAOYSA-N -1 0 276.267 3.076 20 5 CGBDRM CC(C)(C)CCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000517099479 249256550 /nfs/dbraw/zinc/25/65/50/249256550.db2.gz APWSPYHTIJPRMY-UHFFFAOYSA-N -1 0 294.351 3.247 20 5 CGBDRM CCC(CC)(CC)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354097488 380322729 /nfs/dbraw/zinc/32/27/29/380322729.db2.gz QDSTZQFCDHZSHT-UHFFFAOYSA-N -1 0 294.351 3.247 20 5 CGBDRM CC1(C)CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000361664089 392289926 /nfs/dbraw/zinc/28/99/26/392289926.db2.gz ZOUCFEFKTGWOJE-VIFPVBQESA-N -1 0 278.308 3.065 20 5 CGBDRM CCCC[C@H](CCC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506699561 392731797 /nfs/dbraw/zinc/73/17/97/392731797.db2.gz TYNRDTQOAYEUIM-LBPRGKRZSA-N -1 0 294.351 3.389 20 5 CGBDRM O=C(NCCCC1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356335348 393423371 /nfs/dbraw/zinc/42/33/71/393423371.db2.gz IJMSBCCVDPFCDY-UHFFFAOYSA-N -1 0 292.335 3.001 20 5 CGBDRM CC(C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000450537047 394011951 /nfs/dbraw/zinc/01/19/51/394011951.db2.gz BTKYTTYTBFDEOH-UHFFFAOYSA-N -1 0 278.308 3.065 20 5 CGBDRM CC(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])=C1CCCC1 ZINC000092546082 165302102 /nfs/dbraw/zinc/30/21/02/165302102.db2.gz KAHSVUMQZZZTJR-UHFFFAOYSA-N -1 0 276.292 3.129 20 5 CGBDRM C[C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000092545994 165303907 /nfs/dbraw/zinc/30/39/07/165303907.db2.gz LAHCWWAJXDWKGN-NXEZZACHSA-N -1 0 278.308 3.065 20 5 CGBDRM Cc1ccc([N+](=O)[O-])c(OCc2csc(C(=O)[O-])c2)c1 ZINC000020312740 171145213 /nfs/dbraw/zinc/14/52/13/171145213.db2.gz HOPOVHVCCNRDFL-UHFFFAOYSA-N -1 0 293.300 3.242 20 5 CGBDRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539970472 288640635 /nfs/dbraw/zinc/64/06/35/288640635.db2.gz DGCFEQPBKPZSOQ-MNOVXSKESA-N -1 0 292.335 3.455 20 5 CGBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCCCCC1 ZINC000281121283 288923992 /nfs/dbraw/zinc/92/39/92/288923992.db2.gz IBVWEBWLMIPQOK-UHFFFAOYSA-N -1 0 292.335 3.095 20 5 CGBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccccc21 ZINC000181886664 300188915 /nfs/dbraw/zinc/18/89/15/300188915.db2.gz XIJVRZYFVNCSLO-JTQLQIEISA-N -1 0 298.298 3.064 20 5 CGBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000179397964 301645199 /nfs/dbraw/zinc/64/51/99/301645199.db2.gz IIRNVEHRYYGMER-UHFFFAOYSA-N -1 0 290.250 3.000 20 5 CGBDRM Cc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182186537 301989840 /nfs/dbraw/zinc/98/98/40/301989840.db2.gz UPHANQZKOWZPFM-UHFFFAOYSA-N -1 0 290.250 3.000 20 5 CGBDRM O=[N+]([O-])c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1[O-] ZINC000353885406 304801742 /nfs/dbraw/zinc/80/17/42/304801742.db2.gz GPBGZAZPLVWWKX-UHFFFAOYSA-N -1 0 291.213 3.122 20 5 CGBDRM O=C(Nc1ccc2c(c1)CCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427897152 534839359 /nfs/dbraw/zinc/83/93/59/534839359.db2.gz PPGQDVBNCXRFJU-UHFFFAOYSA-N -1 0 298.298 3.041 20 5 CGBDRM CC(C)CCC[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436632841 527705546 /nfs/dbraw/zinc/70/55/46/527705546.db2.gz DBIKEDYSQOAMIX-LLVKDONJSA-N -1 0 294.351 3.245 20 5 CGBDRM O=C([O-])c1ccc(Oc2ccncc2[N+](=O)[O-])c(Cl)c1 ZINC000048803797 600125518 /nfs/dbraw/zinc/12/55/18/600125518.db2.gz BSGICGPPOHGIDJ-UHFFFAOYSA-N -1 0 294.650 3.134 20 5 CGBDRM C[C@@H](CSCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000086107931 600204310 /nfs/dbraw/zinc/20/43/10/600204310.db2.gz UHUIEYLNVJAOKZ-ZETCQYMHSA-N -1 0 289.740 3.202 20 5 CGBDRM CCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000829349603 601383375 /nfs/dbraw/zinc/38/33/75/601383375.db2.gz ZCCNEEWBTUGWTI-LBPRGKRZSA-N -1 0 284.287 3.179 20 5 CGBDRM Cc1cc(N2C[C@H](C)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889232 601544822 /nfs/dbraw/zinc/54/48/22/601544822.db2.gz OXJBTBTYPGOKCG-AOOOYVTPSA-N -1 0 292.335 3.084 20 5 CGBDRM Cc1ccc(OCc2ccsc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000110952911 601890776 /nfs/dbraw/zinc/89/07/76/601890776.db2.gz PDRICHLHJWIYHM-UHFFFAOYSA-N -1 0 293.300 3.242 20 5 CGBDRM Cc1cc(NCCC2CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896961 602324224 /nfs/dbraw/zinc/32/42/24/602324224.db2.gz IXJMCCFYIJZGSB-UHFFFAOYSA-N -1 0 278.308 3.204 20 5 CGBDRM CCC1(CC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000874629292 634574690 /nfs/dbraw/zinc/57/46/90/634574690.db2.gz DFJAKBUGSDOGCU-UHFFFAOYSA-N -1 0 292.335 3.095 20 5 CGBDRM Cc1cnc(CSCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000844644905 635949457 /nfs/dbraw/zinc/94/94/57/635949457.db2.gz DMLHQCSMCFUXOD-UHFFFAOYSA-N -1 0 296.373 3.499 20 5 CGBDRM Cc1cccc2c1nc(-c1cc([N+](=O)[O-])ccc1[O-])n2C ZINC001251046502 805835887 /nfs/dbraw/zinc/83/58/87/805835887.db2.gz UFGPFBONHBFATC-UHFFFAOYSA-N -1 0 283.287 3.163 20 5 CGBDRM CCOc1cccc2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc21 ZINC001251271825 805875168 /nfs/dbraw/zinc/87/51/68/805875168.db2.gz MLDAKTYCLWMXBL-UHFFFAOYSA-N -1 0 299.286 3.242 20 5 CGBDRM Cc1cccc2c1nc(-c1cccc([N+](=O)[O-])c1[O-])n2C ZINC001251272272 805875301 /nfs/dbraw/zinc/87/53/01/805875301.db2.gz SWQHUGUVUBZBRL-UHFFFAOYSA-N -1 0 283.287 3.163 20 5 CGBDRM CC/C=C(/C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000588392486 799685354 /nfs/dbraw/zinc/68/53/54/799685354.db2.gz WSQLUIPALAMVHQ-DAXSKMNVSA-N -1 0 284.699 3.249 20 5 CGBDRM O=C([O-])c1cc(NC2CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000697689275 799848956 /nfs/dbraw/zinc/84/89/56/799848956.db2.gz SPYZABPTUDURQJ-UHFFFAOYSA-N -1 0 276.292 3.038 20 5 CGBDRM O=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001135547092 803603961 /nfs/dbraw/zinc/60/39/61/803603961.db2.gz PEZCKVLCQGCROW-UHFFFAOYSA-N -1 0 292.335 3.143 20 5 CGBDRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001295973101 809496500 /nfs/dbraw/zinc/49/65/00/809496500.db2.gz 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284.268 3.166 20 5 CGBDRM C[C@@H](Oc1ncnc2cc([N+](=O)[O-])ccc21)C1=CC=C[CH]1 ZINC001229403922 932146008 /nfs/dbraw/zinc/14/60/08/932146008.db2.gz SYVGRNNLGRBKPX-SNVBAGLBSA-N -1 0 282.279 3.006 20 5 CGBDRM CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H](C)C1=CC=C[CH]1 ZINC001230246903 932547332 /nfs/dbraw/zinc/54/73/32/932547332.db2.gz YAZHYROQZMKQET-SNVBAGLBSA-N -1 0 287.295 3.021 20 5 CGBDRM C[C@@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001230880167 932634627 /nfs/dbraw/zinc/63/46/27/932634627.db2.gz YVPLBTOVPUSKFU-MRVPVSSYSA-N -1 0 265.676 3.111 20 5 CGBDRM C[C@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001230880168 932635078 /nfs/dbraw/zinc/63/50/78/932635078.db2.gz YVPLBTOVPUSKFU-QMMMGPOBSA-N -1 0 265.676 3.111 20 5 CGBDRM O=C([O-])c1cnc(NCCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000162369473 959213487 /nfs/dbraw/zinc/21/34/87/959213487.db2.gz LBWNZJBQSVECAG-UHFFFAOYSA-N -1 0 293.323 3.070 20 5 CGBDRM Cc1ccc(Sc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000166882444 959323400 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CCC(CC)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595109483 979442835 /nfs/dbraw/zinc/44/28/35/979442835.db2.gz CPHFBDPERZKVHS-UHFFFAOYSA-N -1 0 295.291 3.025 20 5 CGBDRM CCC[C@H](C)CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595573313 981487228 /nfs/dbraw/zinc/48/72/28/981487228.db2.gz JZBSFYXDBFHYPU-VIFPVBQESA-N -1 0 295.339 3.235 20 5 CGBDRM CCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595686710 982176141 /nfs/dbraw/zinc/17/61/41/982176141.db2.gz GKMQBRNMJWXBPH-LBPRGKRZSA-N -1 0 266.297 3.040 20 5 CGBDRM CCOc1cc(CS[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001597038255 986484086 /nfs/dbraw/zinc/48/40/86/986484086.db2.gz HUSBMMACSAMVKN-SECBINFHSA-N -1 0 299.348 3.090 20 5 CGBDRM CC(C)(F)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001590833667 990688585 /nfs/dbraw/zinc/68/85/85/990688585.db2.gz KGEIETUCWHMVMV-UHFFFAOYSA-N -1 0 290.678 3.106 20 5 CGBDRM C[C@H]1CCCC[C@@H]1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594366939 999386640 /nfs/dbraw/zinc/38/66/40/999386640.db2.gz 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374397913 /nfs/dbraw/zinc/39/79/13/374397913.db2.gz RCRLJBJZNZAFPE-UHFFFAOYSA-N -1 0 286.287 3.170 20 5 CGBDRM Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c(Cl)c1 ZINC000741137722 572483946 /nfs/dbraw/zinc/48/39/46/572483946.db2.gz ZTIMECITRZPKTP-UHFFFAOYSA-N -1 0 280.667 3.104 20 5 CGBDRM Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC000470262084 393235408 /nfs/dbraw/zinc/23/54/08/393235408.db2.gz AACIGMRKOHTCDM-PLNGDYQASA-N -1 0 284.271 3.167 20 5 CGBDRM Cc1cc(OCc2ccc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000020312479 171144904 /nfs/dbraw/zinc/14/49/04/171144904.db2.gz HNFLWZVSQNKVBC-UHFFFAOYSA-N -1 0 293.300 3.242 20 5 CGBDRM Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000530528861 270200783 /nfs/dbraw/zinc/20/07/83/270200783.db2.gz BLUGOULMFCOOJM-ONEGZZNKSA-N -1 0 298.298 3.475 20 5 CGBDRM C[C@H](CCC1CC1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000398452221 329443668 /nfs/dbraw/zinc/44/36/68/329443668.db2.gz FQRXHOPWKIDWGP-SECBINFHSA-N -1 0 278.308 3.284 20 5 CGBDRM CCCC[C@@H](Sc1cc(OC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000576292439 335185310 /nfs/dbraw/zinc/18/53/10/335185310.db2.gz OPKKAPLRMOQXTN-LLVKDONJSA-N -1 0 299.348 3.339 20 5 CGBDRM CCCC[C@H](Sc1ncc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000576598525 335225052 /nfs/dbraw/zinc/22/50/52/335225052.db2.gz PWPSDAACYABXJD-JTQLQIEISA-N -1 0 284.337 3.034 20 5 CGBDRM CCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)CC ZINC000436970649 528311096 /nfs/dbraw/zinc/31/10/96/528311096.db2.gz FLJOUQXMWFJWQJ-NSHDSACASA-N -1 0 294.351 3.341 20 5 CGBDRM O=C([O-])NCc1cccc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000740681773 572450572 /nfs/dbraw/zinc/45/05/72/572450572.db2.gz UIGMSZGLRXRYIP-UHFFFAOYSA-N -1 0 288.259 3.155 20 5 CGBDRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000736550630 572798449 /nfs/dbraw/zinc/79/84/49/572798449.db2.gz GRKYQSMHVNBECR-IUCAKERBSA-N -1 0 269.322 3.252 20 5 CGBDRM Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000135076181 600676490 /nfs/dbraw/zinc/67/64/90/600676490.db2.gz 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C[C@H](Cc1ccccc1)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225620823 817116063 /nfs/dbraw/zinc/11/60/63/817116063.db2.gz WOLJCSRXZIKUIT-LLVKDONJSA-N -1 0 273.288 3.310 20 5 CGBDRM CC(C)[C@H](Oc1cccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225623827 817117253 /nfs/dbraw/zinc/11/72/53/817117253.db2.gz UAPSURWRTPPALV-JTQLQIEISA-N -1 0 279.214 3.266 20 5 CGBDRM C[C@H](Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001227245670 817606461 /nfs/dbraw/zinc/60/64/61/817606461.db2.gz APEKSUIZSGUOJG-QMMMGPOBSA-N -1 0 299.228 3.476 20 5 CGBDRM CCCC(CCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231261139 818065855 /nfs/dbraw/zinc/06/58/55/818065855.db2.gz YYSWOSFRCMBCNC-UHFFFAOYSA-N -1 0 268.313 3.351 20 5 CGBDRM C[C@@H](Oc1cc(F)c([N+](=O)[O-])c(F)c1)C1=CC=C[CH]1 ZINC001233754165 818697572 /nfs/dbraw/zinc/69/75/72/818697572.db2.gz SSBGAIRSAFCKKI-MRVPVSSYSA-N -1 0 266.223 3.341 20 5 CGBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(F)c1[O-] ZINC001354995682 937118474 /nfs/dbraw/zinc/11/84/74/937118474.db2.gz 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O=[N+]([O-])c1cc(Nc2cccc3cnoc32)ccc1[O-] ZINC001210398556 814444701 /nfs/dbraw/zinc/44/47/01/814444701.db2.gz IBVUKIRKZUCHSF-UHFFFAOYSA-N -1 0 271.232 3.185 20 5 CGBDRM CCCc1cc([N-]c2ccc(F)cc2[N+](=O)[O-])on1 ZINC001210948826 814687021 /nfs/dbraw/zinc/68/70/21/814687021.db2.gz DZUYULADQATCIJ-UHFFFAOYSA-N -1 0 265.244 3.418 20 5 CGBDRM CC1CCC(Oc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001225492363 817073338 /nfs/dbraw/zinc/07/33/38/817073338.db2.gz WJKSYDZPCKVRQC-UHFFFAOYSA-N -1 0 251.282 3.258 20 5 CGBDRM CC(=O)[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001225492514 817073517 /nfs/dbraw/zinc/07/35/17/817073517.db2.gz XGSTVYHHMYXCQU-OAHLLOKOSA-N -1 0 287.271 3.010 20 5 CGBDRM COc1cccc([C@@H](C)Oc2cccc([O-])c2[N+](=O)[O-])c1 ZINC001225619975 817115408 /nfs/dbraw/zinc/11/54/08/817115408.db2.gz LYNXFTFLUQAJQL-SNVBAGLBSA-N -1 0 289.287 3.449 20 5 CGBDRM COc1ccc([C@@H](C)Oc2cccc([O-])c2[N+](=O)[O-])cc1 ZINC001225619800 817115459 /nfs/dbraw/zinc/11/54/59/817115459.db2.gz IWZBOHOAPGRNNA-SNVBAGLBSA-N -1 0 289.287 3.449 20 5 CGBDRM CC(=O)c1ccc([N+](=O)[O-])c(O[C@@H](C)C2=CC=C[CH]2)c1 ZINC001225803230 817183418 /nfs/dbraw/zinc/18/34/18/817183418.db2.gz BIKRLAGZQFAQSY-NSHDSACASA-N -1 0 272.280 3.265 20 5 CGBDRM C[C@H](Oc1nc(Cl)ccc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001226364502 817336678 /nfs/dbraw/zinc/33/66/78/817336678.db2.gz NBXAJBAQPJUZJG-QMMMGPOBSA-N -1 0 265.676 3.111 20 5 CGBDRM CCCCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227744888 817710750 /nfs/dbraw/zinc/71/07/50/817710750.db2.gz KEEGNPWSDYGNQA-SNVBAGLBSA-N -1 0 293.323 3.055 20 5 CGBDRM CC(C)CC[C@@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231223646 818061024 /nfs/dbraw/zinc/06/10/24/818061024.db2.gz IQCDJDDGOKGFJS-SECBINFHSA-N -1 0 298.295 3.412 20 5 CGBDRM C[C@@H](Oc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001233746136 818696581 /nfs/dbraw/zinc/69/65/81/818696581.db2.gz ULDJKJCSKAQZGV-MRVPVSSYSA-N -1 0 299.228 3.476 20 5 CGBDRM