smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1C ZINC000134444227 728730333 /nfs/dbraw/zinc/73/03/33/728730333.db2.gz CXWUEWXXNKLYQI-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856749539 730354305 /nfs/dbraw/zinc/35/43/05/730354305.db2.gz HZLBCOWSAKJQGM-SSDOTTSWSA-N -1 1 357.190 2.596 20 5 FFBDMM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc([N+](=O)[O-])ccc1F ZINC000863264034 730762033 /nfs/dbraw/zinc/76/20/33/730762033.db2.gz BIKRDNDNSCGUCW-UHFFFAOYSA-N -1 1 352.347 2.732 20 5 FFBDMM C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000863738401 730805572 /nfs/dbraw/zinc/80/55/72/730805572.db2.gz AOSHDIBDTIWICD-NXEZZACHSA-N -1 1 357.204 2.900 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)cc1F ZINC000867052927 731137129 /nfs/dbraw/zinc/13/71/29/731137129.db2.gz VJOLSOJYRLPTEQ-BXUZGUMPSA-N -1 1 360.407 2.524 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000882757922 733287804 /nfs/dbraw/zinc/28/78/04/733287804.db2.gz SLJFPZQUSHWGKN-ZYHUDNBSSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725817376 734393174 /nfs/dbraw/zinc/39/31/74/734393174.db2.gz BHTONLJXFSOYTK-UHFFFAOYSA-N -1 1 370.814 2.914 20 5 FFBDMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000742324481 735227037 /nfs/dbraw/zinc/22/70/37/735227037.db2.gz WVVQNBSVFBFKNP-SNVBAGLBSA-N -1 1 356.375 2.935 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000757942847 736437747 /nfs/dbraw/zinc/43/77/47/736437747.db2.gz HBDGHNUVBFQQSR-LLVKDONJSA-N -1 1 372.761 2.799 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(Cl)n1 ZINC000760326061 736629901 /nfs/dbraw/zinc/62/99/01/736629901.db2.gz YVWVTADKXWOOJQ-UHFFFAOYSA-N -1 1 361.738 2.592 20 5 FFBDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000761841638 736765667 /nfs/dbraw/zinc/76/56/67/736765667.db2.gz LZFDVIUWQDIYNU-UHFFFAOYSA-N -1 1 358.807 2.971 20 5 FFBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1OC ZINC000765220725 737098315 /nfs/dbraw/zinc/09/83/15/737098315.db2.gz CJGFMTBEWLGAGO-OLZOCXBDSA-N -1 1 360.407 2.606 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000766329491 737219697 /nfs/dbraw/zinc/21/96/97/737219697.db2.gz NKGWZUPMUFKUNA-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000767300824 737312220 /nfs/dbraw/zinc/31/22/20/737312220.db2.gz NRBPPDUPZIODHU-HUUCEWRRSA-N -1 1 374.846 2.732 20 5 FFBDMM O=C(CSc1ncccc1Cl)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000913608981 737423245 /nfs/dbraw/zinc/42/32/45/737423245.db2.gz QFJFXJSRYVMDSK-UHFFFAOYSA-N -1 1 351.771 2.692 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000769050907 737489852 /nfs/dbraw/zinc/48/98/52/737489852.db2.gz XZOSDEUXFUPIMW-MRVPVSSYSA-N -1 1 365.729 2.533 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl ZINC000791410783 739560009 /nfs/dbraw/zinc/56/00/09/739560009.db2.gz BQKZSJNVVHNUNQ-UHFFFAOYSA-N -1 1 351.167 2.973 20 5 FFBDMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421131 739562131 /nfs/dbraw/zinc/56/21/31/739562131.db2.gz HOIICPFTGDRABQ-RDDDGLTNSA-N -1 1 371.242 2.587 20 5 FFBDMM CC1CC([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000795865159 740073189 /nfs/dbraw/zinc/07/31/89/740073189.db2.gz BHZMTUBPZCITKY-UHFFFAOYSA-N -1 1 367.196 2.573 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000798228551 740314711 /nfs/dbraw/zinc/31/47/11/740314711.db2.gz MTOUJWINISGSBH-LBPRGKRZSA-N -1 1 368.814 2.727 20 5 FFBDMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cn1 ZINC000800051444 740478755 /nfs/dbraw/zinc/47/87/55/740478755.db2.gz LNVILTIFFAVBBH-UHFFFAOYSA-N -1 1 355.347 2.637 20 5 FFBDMM CS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000801176300 740590537 /nfs/dbraw/zinc/59/05/37/740590537.db2.gz UNSAKABVFHSQGV-UHFFFAOYSA-N -1 1 370.770 2.610 20 5 FFBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809842018 741352656 /nfs/dbraw/zinc/35/26/56/741352656.db2.gz CBLKPDKJIOEBJT-HZGVNTEJSA-N -1 1 371.267 2.931 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1[N+](=O)[O-] ZINC000811835736 741566148 /nfs/dbraw/zinc/56/61/48/741566148.db2.gz MGWRHYQKGZQRMU-UHFFFAOYSA-N -1 1 357.775 2.761 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000815022878 741884585 /nfs/dbraw/zinc/88/45/85/741884585.db2.gz BTQULSHJSRTXKF-SECBINFHSA-N -1 1 373.793 2.864 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1(Cl)Cl ZINC000832368765 745685185 /nfs/dbraw/zinc/68/51/85/745685185.db2.gz DQZCQDCVJBCCAO-NSHDSACASA-N -1 1 371.217 2.986 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@@H]1CC1(Cl)Cl ZINC000846022836 748385935 /nfs/dbraw/zinc/38/59/35/748385935.db2.gz UAGMZXCHKUWUPS-MRVPVSSYSA-N -1 1 371.217 2.986 20 5 FFBDMM C[C@H]1[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311951436 963523818 /nfs/dbraw/zinc/52/38/18/963523818.db2.gz JTDQXWMXGOMRPX-GXTWGEPZSA-N -1 1 356.382 2.763 20 5 FFBDMM Cc1cccc(CO[N-]C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC001168633474 986522620 /nfs/dbraw/zinc/52/26/20/986522620.db2.gz DJBUFDMQBRWLNX-UHFFFAOYSA-N -1 1 353.737 2.881 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001128946525 990059686 /nfs/dbraw/zinc/05/96/86/990059686.db2.gz SGNBWKABOZKZPF-UHFFFAOYSA-N -1 1 372.259 2.766 20 5 FFBDMM CC(C)N(C)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001591560914 992760588 /nfs/dbraw/zinc/76/05/88/992760588.db2.gz RHFJGWUPSYAZRK-IBGZPJMESA-N -1 1 372.425 2.924 20 5 FFBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001593289761 994666636 /nfs/dbraw/zinc/66/66/36/994666636.db2.gz XBNZJGJHMBOGPR-VIFPVBQESA-N -1 1 357.322 2.991 20 5 FFBDMM COc1cccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1OC ZINC001599673761 994859357 /nfs/dbraw/zinc/85/93/57/994859357.db2.gz JFSADAYVDNRTSM-SFHVURJKSA-N -1 1 360.366 2.702 20 5 FFBDMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000788531363 1001822620 /nfs/dbraw/zinc/82/26/20/1001822620.db2.gz UEZRAIONFQRDEJ-WQGACYEGSA-N -1 1 357.366 2.686 20 5 FFBDMM COCc1csc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001192625557 1004225532 /nfs/dbraw/zinc/22/55/32/1004225532.db2.gz PXKOAEJYRGTOGB-UHFFFAOYSA-N -1 1 374.415 2.729 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000776443627 1005754781 /nfs/dbraw/zinc/75/47/81/1005754781.db2.gz FBVNGQVAWKNOJN-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801202255 1018733456 /nfs/dbraw/zinc/73/34/56/1018733456.db2.gz APPDUHSAWDWAKT-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM CC(C)[C@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780075894 1019651690 /nfs/dbraw/zinc/65/16/90/1019651690.db2.gz NJWPYGUQJPVPMQ-SFHVURJKSA-N -1 1 372.377 2.971 20 5 FFBDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116109652 1022379493 /nfs/dbraw/zinc/37/94/93/1022379493.db2.gz LPDVGQKQXLLTOD-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM COC(=O)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc([N+](=O)[O-])c1 ZINC001141831319 1027022197 /nfs/dbraw/zinc/02/21/97/1027022197.db2.gz JOEYPSRNKXDZSN-UHFFFAOYSA-N -1 1 352.249 2.618 20 5 FFBDMM Cn1cc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccc(Cl)cc21 ZINC001161157070 1028039119 /nfs/dbraw/zinc/03/91/19/1028039119.db2.gz XJYQOPMJMHWZLF-UHFFFAOYSA-N -1 1 374.784 2.813 20 5 FFBDMM O=C([N-]C1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1)C(F)(F)F ZINC001166895917 1030566737 /nfs/dbraw/zinc/56/67/37/1030566737.db2.gz AUWSGSBHYGALLB-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM O=C(c1c(F)ccc([O-])c1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000798150742 1031319725 /nfs/dbraw/zinc/31/97/25/1031319725.db2.gz GNYXVRJKBQEGDK-UHFFFAOYSA-N -1 1 363.320 2.541 20 5 FFBDMM Cc1cccc(CN2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)c1 ZINC001149849252 1031605882 /nfs/dbraw/zinc/60/58/82/1031605882.db2.gz TWCFUVVLKHANQZ-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM O=C(C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001151683324 1032008754 /nfs/dbraw/zinc/00/87/54/1032008754.db2.gz OATWPHDFZUTDHU-AWEZNQCLSA-N -1 1 373.340 2.712 20 5 FFBDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225661763 1034355187 /nfs/dbraw/zinc/35/51/87/1034355187.db2.gz OXYWJJMBMLZQKP-ZYHUDNBSSA-N -1 1 353.375 2.720 20 5 FFBDMM COc1c(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)cccc1[N+](=O)[O-] ZINC001536135962 1069927969 /nfs/dbraw/zinc/92/79/69/1069927969.db2.gz ZMHNCLGLGFAOJW-JTQLQIEISA-N -1 1 350.356 2.559 20 5 FFBDMM CCCCOC(=O)[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860899 1036366028 /nfs/dbraw/zinc/36/60/28/1036366028.db2.gz XRDPWEWCYUGTOO-ZETCQYMHSA-N -1 1 352.265 2.825 20 5 FFBDMM COC(=O)[C@@H]1CCC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860916 1036366114 /nfs/dbraw/zinc/36/61/14/1036366114.db2.gz XYCXVFUQAUZJKU-HTQZYQBOSA-N -1 1 364.276 2.825 20 5 FFBDMM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394962 1036648983 /nfs/dbraw/zinc/64/89/83/1036648983.db2.gz CRLVDYRUQWWDFF-CYBMUJFWSA-N -1 1 368.386 2.705 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229398247 1036651665 /nfs/dbraw/zinc/65/16/65/1036651665.db2.gz SACCWBSPLYGVTP-HBYGRHMLSA-N -1 1 350.371 2.935 20 5 FFBDMM COC(=O)[C@@]1(C)C[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234875866 1037216685 /nfs/dbraw/zinc/21/66/85/1037216685.db2.gz WJNDVNUHPAWIBP-KTLJEJPDSA-N -1 1 360.160 2.783 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001255792609 1038171873 /nfs/dbraw/zinc/17/18/73/1038171873.db2.gz BRCKNJQFYFVEHN-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC001213450764 1040563652 /nfs/dbraw/zinc/56/36/52/1040563652.db2.gz JKGHIULQUJLPCF-WBMJQRKESA-N -1 1 372.418 2.526 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)[n-]1 ZINC001537896839 1070285937 /nfs/dbraw/zinc/28/59/37/1070285937.db2.gz FLUFQSLUOVPIAJ-UHFFFAOYSA-N -1 1 363.301 2.612 20 5 FFBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293055047 1049475861 /nfs/dbraw/zinc/47/58/61/1049475861.db2.gz VCJOVHIKHYHRCL-UHFFFAOYSA-N -1 1 364.774 2.666 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001295513362 1049941127 /nfs/dbraw/zinc/94/11/27/1049941127.db2.gz FRPJVMZKTLLFIL-UHFFFAOYSA-N -1 1 350.758 2.821 20 5 FFBDMM O=C([N-]Cc1cc(C(F)(F)F)n[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001302824032 1051205123 /nfs/dbraw/zinc/20/51/23/1051205123.db2.gz YSFHZFQUJZCKSJ-UHFFFAOYSA-N -1 1 364.230 2.745 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001350018883 1055585129 /nfs/dbraw/zinc/58/51/29/1055585129.db2.gz RCWBENJBSSAATB-AYMMMOKOSA-N -1 1 352.746 2.570 20 5 FFBDMM CCOC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nc1 ZINC001353336656 1056309357 /nfs/dbraw/zinc/30/93/57/1056309357.db2.gz FJXZPAFUUGSKHN-UHFFFAOYSA-N -1 1 351.265 2.697 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC12CCOCC2 ZINC001475594147 1061155199 /nfs/dbraw/zinc/15/51/99/1061155199.db2.gz QGAFUBKZDBPQKA-NSHDSACASA-N -1 1 374.846 2.733 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)cc1F ZINC001463722680 1062227491 /nfs/dbraw/zinc/22/74/91/1062227491.db2.gz HKADUOWEUJESQU-LLVKDONJSA-N -1 1 371.217 2.905 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)cc1F ZINC001464207147 1062481816 /nfs/dbraw/zinc/48/18/16/1062481816.db2.gz QTLYWUBCWOIFSL-LLVKDONJSA-N -1 1 353.375 2.519 20 5 FFBDMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001464693146 1062764572 /nfs/dbraw/zinc/76/45/72/1062764572.db2.gz HNDFDKSVCNXDGD-MRVPVSSYSA-N -1 1 371.242 2.731 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H](C)O1 ZINC001561827345 1076429575 /nfs/dbraw/zinc/42/95/75/1076429575.db2.gz HKISZKLIVPKYLZ-ZXFLCMHBSA-N -1 1 369.226 2.746 20 5 FFBDMM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001588654001 1080143618 /nfs/dbraw/zinc/14/36/18/1080143618.db2.gz PKHRSDQAMCEIOZ-UHFFFAOYSA-N -1 1 360.370 2.558 20 5 FFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC001589877008 1080825705 /nfs/dbraw/zinc/82/57/05/1080825705.db2.gz FBMXYWDRDQLEGT-JTQLQIEISA-N -1 1 358.333 2.793 20 5 FFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001589877008 1080825711 /nfs/dbraw/zinc/82/57/11/1080825711.db2.gz FBMXYWDRDQLEGT-JTQLQIEISA-N -1 1 358.333 2.793 20 5 FFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC001589980503 1080918508 /nfs/dbraw/zinc/91/85/08/1080918508.db2.gz BPIKLVQINFNWRP-QMTHXVAHSA-N -1 1 352.354 2.752 20 5 FFBDMM C[C@H](O)[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994077 1080927649 /nfs/dbraw/zinc/92/76/49/1080927649.db2.gz DEFSQBAGVPJZAZ-JVXZTZIISA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@H](O)[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994077 1080927654 /nfs/dbraw/zinc/92/76/54/1080927654.db2.gz DEFSQBAGVPJZAZ-JVXZTZIISA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@H](Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590036675 1080961453 /nfs/dbraw/zinc/96/14/53/1080961453.db2.gz WIONSGRMKYWOGI-QMMMGPOBSA-N -1 1 351.388 2.597 20 5 FFBDMM C[C@H](Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590036675 1080961459 /nfs/dbraw/zinc/96/14/59/1080961459.db2.gz WIONSGRMKYWOGI-QMMMGPOBSA-N -1 1 351.388 2.597 20 5 FFBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC2(CCCC2)O1 ZINC001590108208 1081018407 /nfs/dbraw/zinc/01/84/07/1081018407.db2.gz SOSARURWTFBJPG-UHFFFAOYSA-N -1 1 358.402 2.703 20 5 FFBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC2(CCCC2)O1 ZINC001590108208 1081018416 /nfs/dbraw/zinc/01/84/16/1081018416.db2.gz SOSARURWTFBJPG-UHFFFAOYSA-N -1 1 358.402 2.703 20 5 FFBDMM C[C@@]1(c2ccccc2)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001590153719 1081055765 /nfs/dbraw/zinc/05/57/65/1081055765.db2.gz PLJVAYXTRDDRGN-SFHVURJKSA-N -1 1 366.381 2.527 20 5 FFBDMM C[C@@]1(c2ccccc2)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001590153719 1081055771 /nfs/dbraw/zinc/05/57/71/1081055771.db2.gz PLJVAYXTRDDRGN-SFHVURJKSA-N -1 1 366.381 2.527 20 5 FFBDMM C[C@@H]1C[C@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590214361 1081098278 /nfs/dbraw/zinc/09/82/78/1081098278.db2.gz MHSQUQDUOAWLOJ-MWLCHTKSSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@@H]1C[C@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590214361 1081098283 /nfs/dbraw/zinc/09/82/83/1081098283.db2.gz MHSQUQDUOAWLOJ-MWLCHTKSSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000273547258 252327544 /nfs/dbraw/zinc/32/75/44/252327544.db2.gz LYGKWSBNCYIZMU-WDEREUQCSA-N -1 1 362.835 2.732 20 5 FFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000287053820 257069385 /nfs/dbraw/zinc/06/93/85/257069385.db2.gz SDHXIHMKKIRONF-LBPRGKRZSA-N -1 1 361.354 2.594 20 5 FFBDMM O=C([N-]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(F)(F)F ZINC000289481127 257283635 /nfs/dbraw/zinc/28/36/35/257283635.db2.gz OBVBZNJBQLAHKE-LLVKDONJSA-N -1 1 363.311 2.624 20 5 FFBDMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290012901 257311304 /nfs/dbraw/zinc/31/13/04/257311304.db2.gz XPWBXYXJDXKYBB-GMSGAONNSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCOC1 ZINC000290859744 257361171 /nfs/dbraw/zinc/36/11/71/257361171.db2.gz XGKCUPUGEVMWDS-SFYZADRCSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@@H](O)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301285458 258040375 /nfs/dbraw/zinc/04/03/75/258040375.db2.gz LRDUCNHKWNVTIL-GFCCVEGCSA-N -1 1 365.411 2.578 20 5 FFBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066331678 506482994 /nfs/dbraw/zinc/48/29/94/506482994.db2.gz YXJLRPKOPLIIAH-UHFFFAOYSA-N -1 1 364.383 2.767 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1CO ZINC000054040951 506484020 /nfs/dbraw/zinc/48/40/20/506484020.db2.gz AVDRJCIPHJBXAH-UHFFFAOYSA-N -1 1 366.395 2.595 20 5 FFBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997003 506805945 /nfs/dbraw/zinc/80/59/45/506805945.db2.gz BGYYJBIGOOZSOV-LURJTMIESA-N -1 1 361.305 2.851 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025375078 507494770 /nfs/dbraw/zinc/49/47/70/507494770.db2.gz BELSEPDDBZWXKH-UWVGGRQHSA-N -1 1 352.334 2.994 20 5 FFBDMM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028041724 507704794 /nfs/dbraw/zinc/70/47/94/507704794.db2.gz UVBOYQZWKXIRSN-UHFFFAOYSA-N -1 1 371.802 2.520 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000135682356 508640290 /nfs/dbraw/zinc/64/02/90/508640290.db2.gz GOTZGASFAYNOCL-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000158909584 508767633 /nfs/dbraw/zinc/76/76/33/508767633.db2.gz LSKPAQINSRTESR-UHFFFAOYSA-N -1 1 359.363 2.958 20 5 FFBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000191886711 509231469 /nfs/dbraw/zinc/23/14/69/509231469.db2.gz WYJJLEQSXSMSFM-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)n1 ZINC000173466942 509619039 /nfs/dbraw/zinc/61/90/39/509619039.db2.gz WCWLKCNHBKRBNA-ZDUSSCGKSA-N -1 1 371.415 2.928 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000170735496 509746905 /nfs/dbraw/zinc/74/69/05/509746905.db2.gz UMTWBGIPXJURMU-ZDUSSCGKSA-N -1 1 370.814 2.914 20 5 FFBDMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186774384 509894519 /nfs/dbraw/zinc/89/45/19/509894519.db2.gz PDSKIIQKYGUHIF-UHFFFAOYSA-N -1 1 353.281 2.569 20 5 FFBDMM CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171422349 510150214 /nfs/dbraw/zinc/15/02/14/510150214.db2.gz VBGCZKJTZCORGP-UHFFFAOYSA-N -1 1 351.222 2.682 20 5 FFBDMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194410366 510350526 /nfs/dbraw/zinc/35/05/26/510350526.db2.gz JKRILPIBXYIGLV-CZUORRHYSA-N -1 1 357.366 2.593 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000184704433 510473495 /nfs/dbraw/zinc/47/34/95/510473495.db2.gz FUPXZBJFAUXKNT-VIFPVBQESA-N -1 1 357.292 2.939 20 5 FFBDMM CN(Cc1ccccc1Br)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188060684 510572667 /nfs/dbraw/zinc/57/26/67/510572667.db2.gz UTRIWFUZLCDQOG-UHFFFAOYSA-N -1 1 366.171 2.730 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000172182550 510588621 /nfs/dbraw/zinc/58/86/21/510588621.db2.gz LEWBIRXMRCSYSL-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)n1 ZINC000191665788 510778880 /nfs/dbraw/zinc/77/88/80/510778880.db2.gz VCRYWYLRHZRLNY-UHFFFAOYSA-N -1 1 372.410 2.971 20 5 FFBDMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295090554 511279439 /nfs/dbraw/zinc/27/94/39/511279439.db2.gz FHGFMIFPQIYWPJ-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000295302341 511356389 /nfs/dbraw/zinc/35/63/89/511356389.db2.gz KHKHWAJDUNONRO-VIFPVBQESA-N -1 1 358.807 2.504 20 5 FFBDMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296521180 511779267 /nfs/dbraw/zinc/77/92/67/511779267.db2.gz ACTALQUGANKLAJ-RQJHMYQMSA-N -1 1 357.215 2.603 20 5 FFBDMM Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1F ZINC000324996838 511843755 /nfs/dbraw/zinc/84/37/55/511843755.db2.gz XPDFRPUQROBWIM-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000328192363 511885443 /nfs/dbraw/zinc/88/54/43/511885443.db2.gz ZMUBDTUCDQOCDW-LLVKDONJSA-N -1 1 364.379 2.974 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000436501513 513875918 /nfs/dbraw/zinc/87/59/18/513875918.db2.gz ABFKBLFASVQMAS-UHFFFAOYSA-N -1 1 362.363 2.818 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(F)F ZINC000414450180 514125578 /nfs/dbraw/zinc/12/55/78/514125578.db2.gz FFUOUGAANXTARY-LURJTMIESA-N -1 1 362.276 2.936 20 5 FFBDMM COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000437842944 514249142 /nfs/dbraw/zinc/24/91/42/514249142.db2.gz MAVPZHKUCUXOBN-UHFFFAOYSA-N -1 1 374.397 2.799 20 5 FFBDMM O=C(C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc([O-])cc1 ZINC000452856751 514520508 /nfs/dbraw/zinc/52/05/08/514520508.db2.gz QFVDZZDOBLGXLO-HNNXBMFYSA-N -1 1 354.362 2.889 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])n1 ZINC000461889361 514769207 /nfs/dbraw/zinc/76/92/07/514769207.db2.gz XIZSFXZBZVTVPU-SNVBAGLBSA-N -1 1 370.456 2.573 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)c([N+](=O)[O-])c1 ZINC000467931254 515170018 /nfs/dbraw/zinc/17/00/18/515170018.db2.gz KUPFPPDTVVVGNI-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000467951616 515175397 /nfs/dbraw/zinc/17/53/97/515175397.db2.gz GWGPAILHCKVRCX-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM CCOc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499180907 515228352 /nfs/dbraw/zinc/22/83/52/515228352.db2.gz SEQRRFUZHIZHSI-UHFFFAOYSA-N -1 1 370.358 2.947 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000468527996 515399681 /nfs/dbraw/zinc/39/96/81/515399681.db2.gz BJZPPTRCFOODHV-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486560621 515536900 /nfs/dbraw/zinc/53/69/00/515536900.db2.gz CSMDWSBVKHINIY-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)s1 ZINC000500123219 515601733 /nfs/dbraw/zinc/60/17/33/515601733.db2.gz OMLUBOHJZZDMIS-UHFFFAOYSA-N -1 1 364.807 2.970 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000473756401 515742208 /nfs/dbraw/zinc/74/22/08/515742208.db2.gz MPTUJNAZOVYGDQ-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1[N+](=O)[O-] ZINC000479135369 516072092 /nfs/dbraw/zinc/07/20/92/516072092.db2.gz PVCLFCSUSOMKAB-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COC[C@@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000551059690 516545839 /nfs/dbraw/zinc/54/58/39/516545839.db2.gz UPZKHKGCGMHPOG-MRXNPFEDSA-N -1 1 350.396 2.903 20 5 FFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CO2 ZINC000531911889 516708378 /nfs/dbraw/zinc/70/83/78/516708378.db2.gz FHZZOMZXNRLCTR-LBPRGKRZSA-N -1 1 368.798 2.969 20 5 FFBDMM Cc1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000548525975 517036337 /nfs/dbraw/zinc/03/63/37/517036337.db2.gz SVEQHBNUGVGMPM-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](CC(C)C)c2cccs2)c([N+](=O)[O-])n1 ZINC000532855498 517169879 /nfs/dbraw/zinc/16/98/79/517169879.db2.gz UHBJWUHZPUJSJK-LLVKDONJSA-N -1 1 372.472 2.938 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CC(C)C)c2cccs2)c([N+](=O)[O-])n1 ZINC000532855499 517169936 /nfs/dbraw/zinc/16/99/36/517169936.db2.gz UHBJWUHZPUJSJK-NSHDSACASA-N -1 1 372.472 2.938 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000520038323 517262741 /nfs/dbraw/zinc/26/27/41/517262741.db2.gz ZIYOGIIYROSBLM-UHFFFAOYSA-N -1 1 350.352 2.687 20 5 FFBDMM COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000521380074 517711356 /nfs/dbraw/zinc/71/13/56/517711356.db2.gz JKJDHUUKTWLFEL-SNVBAGLBSA-N -1 1 361.354 2.512 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000542933221 517823382 /nfs/dbraw/zinc/82/33/82/517823382.db2.gz MSWSZPATTABFHR-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000578538927 518258535 /nfs/dbraw/zinc/25/85/35/518258535.db2.gz KJBIANIYKCTMIN-UHFFFAOYSA-N -1 1 372.349 2.674 20 5 FFBDMM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000566919186 518266307 /nfs/dbraw/zinc/26/63/07/518266307.db2.gz YKYCXGPEZPWDDA-LBPRGKRZSA-N -1 1 356.382 2.547 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc3cnccc32)cc([N+](=O)[O-])c1 ZINC000564858814 518659039 /nfs/dbraw/zinc/65/90/39/518659039.db2.gz IXRYZUSNKVSKBS-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM CN(CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000565930594 519202119 /nfs/dbraw/zinc/20/21/19/519202119.db2.gz PGNKIDHHRQTCHN-UHFFFAOYSA-N -1 1 367.365 2.765 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)cc1[N+](=O)[O-] ZINC000594703978 520101749 /nfs/dbraw/zinc/10/17/49/520101749.db2.gz HHFXXMPUSBYJTN-OAHLLOKOSA-N -1 1 358.416 2.550 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)s1 ZINC000594870483 520199713 /nfs/dbraw/zinc/19/97/13/520199713.db2.gz KJBGJUDAMRUYER-UHFFFAOYSA-N -1 1 352.384 2.903 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1C ZINC000609494604 520334110 /nfs/dbraw/zinc/33/41/10/520334110.db2.gz CWHGHYQWRZGUFB-QHCPKHFHSA-N -1 1 368.436 2.750 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000603780469 520359493 /nfs/dbraw/zinc/35/94/93/520359493.db2.gz DGUGWNLSWHAJFO-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM CCOC1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)CCOCC1 ZINC000600634838 520367918 /nfs/dbraw/zinc/36/79/18/520367918.db2.gz HXHPZAFQMCIBCU-UHFFFAOYSA-N -1 1 372.443 2.539 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000596054712 520881354 /nfs/dbraw/zinc/88/13/54/520881354.db2.gz YHIVXFYVOUYJLH-UHFFFAOYSA-N -1 1 351.384 2.639 20 5 FFBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000593748924 521191294 /nfs/dbraw/zinc/19/12/94/521191294.db2.gz WVKKDBNJCANPOQ-ZDUSSCGKSA-N -1 1 374.397 2.968 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818853236 597486002 /nfs/dbraw/zinc/48/60/02/597486002.db2.gz UIJZQUSZWHPHBC-UHFFFAOYSA-N -1 1 364.379 2.640 20 5 FFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736727737 600301196 /nfs/dbraw/zinc/30/11/96/600301196.db2.gz IHKQDYMGTAWDEN-RISCZKNCSA-N -1 1 372.381 2.893 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738867075 602542691 /nfs/dbraw/zinc/54/26/91/602542691.db2.gz WALCTOIRGUPZLQ-ZDUSSCGKSA-N -1 1 351.403 2.814 20 5 FFBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825637829 604104536 /nfs/dbraw/zinc/10/45/36/604104536.db2.gz HUAJHJXHTVOHDK-ZDUSSCGKSA-N -1 1 351.403 2.795 20 5 FFBDMM O=C([O-])N(CC1CC1)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000831826691 604231449 /nfs/dbraw/zinc/23/14/49/604231449.db2.gz UNPDWXBYOYUDCV-UHFFFAOYSA-N -1 1 363.414 2.828 20 5 FFBDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000833814175 605395445 /nfs/dbraw/zinc/39/54/45/605395445.db2.gz ROXMDDAZTFXWME-HIFRSBDPSA-N -1 1 373.413 2.784 20 5 FFBDMM CCn1c(C)cc2c1CCC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821564158 606704442 /nfs/dbraw/zinc/70/44/42/606704442.db2.gz VLWDUNVLZDSFLM-ZDUSSCGKSA-N -1 1 368.401 2.789 20 5 FFBDMM CCn1c(C)cc2c1CCC[C@@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821564158 606704444 /nfs/dbraw/zinc/70/44/44/606704444.db2.gz VLWDUNVLZDSFLM-ZDUSSCGKSA-N -1 1 368.401 2.789 20 5 FFBDMM Cc1cccc2[nH]cc(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c21 ZINC000822332456 606706929 /nfs/dbraw/zinc/70/69/29/606706929.db2.gz QAAONNFUVIWTJW-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM Cc1cccc2[nH]cc(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c21 ZINC000822332456 606706930 /nfs/dbraw/zinc/70/69/30/606706930.db2.gz QAAONNFUVIWTJW-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM CC1(c2ccccc2)CC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820636030 606707906 /nfs/dbraw/zinc/70/79/06/606707906.db2.gz OYJGABKRAZVEPG-UHFFFAOYSA-N -1 1 351.370 2.702 20 5 FFBDMM CC1(c2ccccc2)CC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820636030 606707908 /nfs/dbraw/zinc/70/79/08/606707908.db2.gz OYJGABKRAZVEPG-UHFFFAOYSA-N -1 1 351.370 2.702 20 5 FFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000820461083 606717800 /nfs/dbraw/zinc/71/78/00/606717800.db2.gz FALIWUITXLZPLU-FTGAXOIBSA-N -1 1 367.369 2.535 20 5 FFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000820461083 606717802 /nfs/dbraw/zinc/71/78/02/606717802.db2.gz FALIWUITXLZPLU-FTGAXOIBSA-N -1 1 367.369 2.535 20 5 FFBDMM CCc1nnc(Oc2cc(C)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1CC ZINC000821548758 606918243 /nfs/dbraw/zinc/91/82/43/606918243.db2.gz XAPLEGUKNSOSQD-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM CCc1nnc(Oc2cc(C)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1CC ZINC000821548758 606918244 /nfs/dbraw/zinc/91/82/44/606918244.db2.gz XAPLEGUKNSOSQD-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(F)cc2F)CC1 ZINC000826497729 608053782 /nfs/dbraw/zinc/05/37/82/608053782.db2.gz SCVGLVRDQSOLCI-UHFFFAOYSA-N -1 1 373.323 2.592 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(F)cc2F)CC1 ZINC000826497729 608053783 /nfs/dbraw/zinc/05/37/83/608053783.db2.gz SCVGLVRDQSOLCI-UHFFFAOYSA-N -1 1 373.323 2.592 20 5 FFBDMM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000745943535 735453230 /nfs/dbraw/zinc/45/32/30/735453230.db2.gz IIMBEZMDJMYHBJ-TZMCWYRMSA-N -1 1 362.835 2.730 20 5 FFBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc12 ZINC000093909178 728478608 /nfs/dbraw/zinc/47/86/08/728478608.db2.gz QRDLBJHMRPMDPF-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000134485551 728730485 /nfs/dbraw/zinc/73/04/85/728730485.db2.gz RDAKMDHYWHJSDW-AWEZNQCLSA-N -1 1 370.814 2.569 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000180103810 729203776 /nfs/dbraw/zinc/20/37/76/729203776.db2.gz YNDJSKLYPFLJKB-LBPRGKRZSA-N -1 1 372.374 2.610 20 5 FFBDMM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918746902 737823475 /nfs/dbraw/zinc/82/34/75/737823475.db2.gz LJVWBSDZAQECQA-JTQLQIEISA-N -1 1 372.349 2.619 20 5 FFBDMM O=[N+]([O-])c1ncccc1CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000886309034 733772486 /nfs/dbraw/zinc/77/24/86/733772486.db2.gz RWBSRFOXDBHYPK-UHFFFAOYSA-N -1 1 362.817 2.667 20 5 FFBDMM CCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000729486304 734579272 /nfs/dbraw/zinc/57/92/72/734579272.db2.gz LBXFBWQSVRYHGZ-CYBMUJFWSA-N -1 1 353.375 2.949 20 5 FFBDMM O=C([N-]c1nc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1Br ZINC000740085372 735067185 /nfs/dbraw/zinc/06/71/85/735067185.db2.gz CHZCUEJMWOSQAC-UHFFFAOYSA-N -1 1 353.132 2.870 20 5 FFBDMM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742276604 735217936 /nfs/dbraw/zinc/21/79/36/735217936.db2.gz CEPOCKDZRCCSOO-JTQLQIEISA-N -1 1 355.803 2.553 20 5 FFBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000742306282 735223349 /nfs/dbraw/zinc/22/33/49/735223349.db2.gz BOGGQEJWALPUBD-UONOGXRCSA-N -1 1 374.846 2.874 20 5 FFBDMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000755025192 736227855 /nfs/dbraw/zinc/22/78/55/736227855.db2.gz QOGUBPJQTIAERY-MDZDMXLPSA-N -1 1 360.288 2.610 20 5 FFBDMM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1OC ZINC000765220727 737098240 /nfs/dbraw/zinc/09/82/40/737098240.db2.gz CJGFMTBEWLGAGO-STQMWFEESA-N -1 1 360.407 2.606 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000769047595 737489388 /nfs/dbraw/zinc/48/93/88/737489388.db2.gz OPLFCYOAGBVGNR-PGUXBMHVSA-N -1 1 350.371 2.541 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])[nH]n2)o1 ZINC000773279885 737887631 /nfs/dbraw/zinc/88/76/31/737887631.db2.gz PTXGWDHEBFANHN-UHFFFAOYSA-N -1 1 366.330 2.826 20 5 FFBDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000773294750 737889640 /nfs/dbraw/zinc/88/96/40/737889640.db2.gz SPHQSFLRQWBOJS-UHFFFAOYSA-N -1 1 369.830 2.793 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000795240396 739988509 /nfs/dbraw/zinc/98/85/09/739988509.db2.gz BVBNLLFGAVPIRV-UHFFFAOYSA-N -1 1 373.175 2.679 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795379437 740013282 /nfs/dbraw/zinc/01/32/82/740013282.db2.gz IMNYZMHKRXCNEK-JTQLQIEISA-N -1 1 354.359 2.896 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2O)cc1Cl ZINC000809819448 741348063 /nfs/dbraw/zinc/34/80/63/741348063.db2.gz UPQJCWBTUPDZHS-UHFFFAOYSA-N -1 1 374.777 2.614 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000809849453 741354302 /nfs/dbraw/zinc/35/43/02/741354302.db2.gz XTJWRWNUDRATCO-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022270 741884682 /nfs/dbraw/zinc/88/46/82/741884682.db2.gz MZYRPYZLAPFHFL-UHFFFAOYSA-N -1 1 356.828 2.807 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CCSC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000820786394 742550328 /nfs/dbraw/zinc/55/03/28/742550328.db2.gz GCHBYYSLAQRJHO-UHFFFAOYSA-N -1 1 362.326 2.574 20 5 FFBDMM CCCc1cc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]n1 ZINC000829704261 745247843 /nfs/dbraw/zinc/24/78/43/745247843.db2.gz HHYZYIRNRGBQJB-UHFFFAOYSA-N -1 1 362.770 2.864 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845984388 748373735 /nfs/dbraw/zinc/37/37/35/748373735.db2.gz WSMCWOZEAXEHBF-NWDGAFQWSA-N -1 1 354.762 2.717 20 5 FFBDMM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167439728 963357141 /nfs/dbraw/zinc/35/71/41/963357141.db2.gz GBHJXLRNYNSVOD-UHFFFAOYSA-N -1 1 373.752 2.907 20 5 FFBDMM Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001211846372 965062771 /nfs/dbraw/zinc/06/27/71/965062771.db2.gz ULQCPLFGBLNRLX-UHFFFAOYSA-N -1 1 367.402 2.657 20 5 FFBDMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC001177128247 1013845218 /nfs/dbraw/zinc/84/52/18/1013845218.db2.gz JIHAFEILILTROV-UHFFFAOYSA-N -1 1 367.362 2.920 20 5 FFBDMM O=[N+]([O-])c1c[nH]c2nc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)ccc12 ZINC001167931427 978128391 /nfs/dbraw/zinc/12/83/91/978128391.db2.gz CZLQNGJAMJDZRD-UHFFFAOYSA-N -1 1 374.293 2.556 20 5 FFBDMM CCc1cc2c(COC(=O)c3ccc([N+](=O)[O-])n3C)cc(=O)oc2cc1[O-] ZINC000761062672 984745302 /nfs/dbraw/zinc/74/53/02/984745302.db2.gz XLXPOBMBEOOXFZ-UHFFFAOYSA-N -1 1 372.333 2.665 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)cc1F ZINC001212483248 987645816 /nfs/dbraw/zinc/64/58/16/987645816.db2.gz RVCDWESTYRRMBX-LLVKDONJSA-N -1 1 353.375 2.519 20 5 FFBDMM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001597578399 988372604 /nfs/dbraw/zinc/37/26/04/988372604.db2.gz CIEPHAMLDFHTKW-UHFFFAOYSA-N -1 1 364.379 2.965 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(Cl)ccc(F)c2C(=O)OC)n1 ZINC001129144665 990438756 /nfs/dbraw/zinc/43/87/56/990438756.db2.gz BPRMLHMQSWCSKC-UHFFFAOYSA-N -1 1 370.724 2.643 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599622392 994102314 /nfs/dbraw/zinc/10/23/14/994102314.db2.gz JZBUHLXVUVPSOA-SNVBAGLBSA-N -1 1 363.395 2.748 20 5 FFBDMM C[C@](NCc1cnn(CC2CCC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593312075 994794295 /nfs/dbraw/zinc/79/42/95/994794295.db2.gz OSOZGKYKQIWTHY-GOSISDBHSA-N -1 1 358.398 2.681 20 5 FFBDMM COc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC001599571606 998373963 /nfs/dbraw/zinc/37/39/63/998373963.db2.gz SXBKTUWUCIIYLW-GOSISDBHSA-N -1 1 360.366 2.702 20 5 FFBDMM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cc2c(cc1[O-])OCO2 ZINC001183837059 1002405690 /nfs/dbraw/zinc/40/56/90/1002405690.db2.gz SOJPTINPHYHLTR-UHFFFAOYSA-N -1 1 353.290 2.830 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCOC1 ZINC001193831276 1004592653 /nfs/dbraw/zinc/59/26/53/1004592653.db2.gz WIBLJHHIRHSKAE-XHDPSFHLSA-N -1 1 374.846 2.732 20 5 FFBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001133802495 1005963552 /nfs/dbraw/zinc/96/35/52/1005963552.db2.gz UICYAEZFGMEPSU-UHFFFAOYSA-N -1 1 367.383 2.670 20 5 FFBDMM C[C@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001188994836 1006837089 /nfs/dbraw/zinc/83/70/89/1006837089.db2.gz JWPANYOSDGAKMU-LRDDRELGSA-N -1 1 361.423 2.982 20 5 FFBDMM COc1cc(COC(=O)c2nn(-c3ccccc3)cc2[O-])ccc1[N+](=O)[O-] ZINC000801202557 1018734223 /nfs/dbraw/zinc/73/42/23/1018734223.db2.gz FWVXRGLWLDAMRK-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM O=C(OCc1nc(CCc2ccccc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074308 1019550138 /nfs/dbraw/zinc/55/01/38/1019550138.db2.gz IKTPGLFTNHIFRK-UHFFFAOYSA-N -1 1 369.333 2.826 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000780077527 1019637560 /nfs/dbraw/zinc/63/75/60/1019637560.db2.gz ZSQXXCYIXGYXBB-LSSIXWDNSA-N -1 1 364.398 2.787 20 5 FFBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC(=O)c1ccc([O-])cc1O ZINC001116835947 1021444773 /nfs/dbraw/zinc/44/47/73/1021444773.db2.gz KDWADCMOEIJXTB-UHFFFAOYSA-N -1 1 365.725 2.628 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncc(Cl)s1 ZINC001116876022 1021466184 /nfs/dbraw/zinc/46/61/84/1021466184.db2.gz UVEVLQCVESWEKL-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc4ccc(Cl)nc4cc3[N+](=O)[O-])c2[nH]1 ZINC001159194798 1027304610 /nfs/dbraw/zinc/30/46/10/1027304610.db2.gz KTJHDQFEAIIUDX-UHFFFAOYSA-N -1 1 373.716 2.569 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)nc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001157157491 1029484864 /nfs/dbraw/zinc/48/48/64/1029484864.db2.gz ZWVQXDHGOFMWEO-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCOc2ccccc21 ZINC001226310661 1034625297 /nfs/dbraw/zinc/62/52/97/1034625297.db2.gz PSQISXADTONQST-CYBMUJFWSA-N -1 1 360.322 2.775 20 5 FFBDMM CCCC(=O)[C@H](CCC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226311511 1034625465 /nfs/dbraw/zinc/62/54/65/1034625465.db2.gz XGGNPZDWPFZGIT-LBPRGKRZSA-N -1 1 354.359 2.789 20 5 FFBDMM CC(=O)N1CCC[C@@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229803942 1036908356 /nfs/dbraw/zinc/90/83/56/1036908356.db2.gz UGNOIBRSWHJXNK-CYBMUJFWSA-N -1 1 369.373 2.747 20 5 FFBDMM C[C@H]1COCC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234127801 1036930613 /nfs/dbraw/zinc/93/06/13/1036930613.db2.gz IPGVJVJEQBPXCC-TVQRCGJNSA-N -1 1 358.346 2.867 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OC4CC5(COC5)C4)cc([O-])cc3oc21 ZINC001234747419 1037163984 /nfs/dbraw/zinc/16/39/84/1037163984.db2.gz AMNYVAPXTWVLLA-UHFFFAOYSA-N -1 1 370.357 2.924 20 5 FFBDMM CC1=C[C@@H](Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)CC(=O)O1 ZINC001234749815 1037166831 /nfs/dbraw/zinc/16/68/31/1037166831.db2.gz DKRRFUAEOAKDGY-SNVBAGLBSA-N -1 1 370.313 2.661 20 5 FFBDMM CCOC(=O)C[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234753418 1037170104 /nfs/dbraw/zinc/17/01/04/1037170104.db2.gz NZPWHPUHTDBFDG-SECBINFHSA-N -1 1 374.345 2.784 20 5 FFBDMM CCN(CC)C(=O)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231265149 1037517959 /nfs/dbraw/zinc/51/79/59/1037517959.db2.gz YYAYAUGLPISQNB-MRXNPFEDSA-N -1 1 359.382 2.992 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2ncnc3c2ncn3[C@@H]2CCCCO2)ccc1[O-] ZINC001210395742 1039520530 /nfs/dbraw/zinc/52/05/30/1039520530.db2.gz FHAFLLKHFZATNO-ZDUSSCGKSA-N -1 1 356.342 2.883 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001211034875 1039915462 /nfs/dbraw/zinc/91/54/62/1039915462.db2.gz DCDYHTOEAJPMSD-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM Cc1c(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211290697 1040064265 /nfs/dbraw/zinc/06/42/65/1040064265.db2.gz ITFVEEULUGDGPG-UHFFFAOYSA-N -1 1 352.288 2.737 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC(F)(F)C1 ZINC001213556102 1040672654 /nfs/dbraw/zinc/67/26/54/1040672654.db2.gz SLAZBPPJMUMXOJ-UHFFFAOYSA-N -1 1 354.762 2.962 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC3(CCC3)O2)cc1F ZINC001213907932 1041065378 /nfs/dbraw/zinc/06/53/78/1041065378.db2.gz XWHRDJVVXBCOKZ-LBPRGKRZSA-N -1 1 372.418 2.812 20 5 FFBDMM Cc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c([N+](=O)[O-])c1 ZINC001214176135 1041291695 /nfs/dbraw/zinc/29/16/95/1041291695.db2.gz UGUKVOHEPGCTNI-UHFFFAOYSA-N -1 1 351.340 2.619 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C/C=C/c1cccnc1 ZINC001309665737 1043475394 /nfs/dbraw/zinc/47/53/94/1043475394.db2.gz HWKWVLZHKKZTDR-DUXPYHPUSA-N -1 1 371.777 2.774 20 5 FFBDMM Cc1cnc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])c([O-])c1 ZINC001303101551 1051269396 /nfs/dbraw/zinc/26/93/96/1051269396.db2.gz ARTKBXFAFAPACH-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM O=C([N-]c1nc(C2CC2)no1)c1cc([N+](=O)[O-])ccc1Br ZINC001543949176 1071573046 /nfs/dbraw/zinc/57/30/46/1071573046.db2.gz PVDUHTQRJQWPAE-UHFFFAOYSA-N -1 1 353.132 2.870 20 5 FFBDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001339291312 1056298500 /nfs/dbraw/zinc/29/85/00/1056298500.db2.gz ZWOCSEWYJIVURT-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC001445088663 1058368091 /nfs/dbraw/zinc/36/80/91/1058368091.db2.gz MUGLORNVNBHVKJ-OAHLLOKOSA-N -1 1 363.801 2.987 20 5 FFBDMM O=C(C[C@@H]1CCCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC001545446333 1071784637 /nfs/dbraw/zinc/78/46/37/1071784637.db2.gz JGWNNPVEWDNGBK-ZDUSSCGKSA-N -1 1 373.365 2.946 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001450712324 1059045347 /nfs/dbraw/zinc/04/53/47/1059045347.db2.gz LONXDVBOHRTLSY-UHFFFAOYSA-N -1 1 359.367 2.577 20 5 FFBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001475359319 1061061915 /nfs/dbraw/zinc/06/19/15/1061061915.db2.gz AMLHUUQUPOPVOF-UHFFFAOYSA-N -1 1 362.423 2.773 20 5 FFBDMM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001475437981 1061089547 /nfs/dbraw/zinc/08/95/47/1061089547.db2.gz TXTZTSHWSNQUBI-JTQLQIEISA-N -1 1 355.803 2.553 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2cccc(F)c2)cc1F ZINC001475674563 1061196934 /nfs/dbraw/zinc/19/69/34/1061196934.db2.gz NGCSNFCSIYISQE-UHFFFAOYSA-N -1 1 372.349 2.539 20 5 FFBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001461214091 1061253144 /nfs/dbraw/zinc/25/31/44/1061253144.db2.gz NCNWXFPILWDRHO-UHFFFAOYSA-N -1 1 362.367 2.737 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)cc1F ZINC001463099664 1061935020 /nfs/dbraw/zinc/93/50/20/1061935020.db2.gz ODYFOWITEWEQQJ-GFCCVEGCSA-N -1 1 369.418 2.680 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(C2OCCO2)s1 ZINC001530107043 1062490632 /nfs/dbraw/zinc/49/06/32/1062490632.db2.gz OAZXOAUWQBKJTG-UHFFFAOYSA-N -1 1 353.331 2.797 20 5 FFBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(C)c1 ZINC001464476401 1062633680 /nfs/dbraw/zinc/63/36/80/1062633680.db2.gz NWUWAJOIIIYMGZ-UHFFFAOYSA-N -1 1 373.793 2.878 20 5 FFBDMM Cc1oc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1S(C)(=O)=O ZINC001523897220 1062647651 /nfs/dbraw/zinc/64/76/51/1062647651.db2.gz XPNATTKNMGTTSL-UHFFFAOYSA-N -1 1 356.331 2.600 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[n-]c1Cl ZINC001439494808 1063165152 /nfs/dbraw/zinc/16/51/52/1063165152.db2.gz SNTIRFUHRXQQSJ-UHFFFAOYSA-N -1 1 370.724 2.848 20 5 FFBDMM COC(=O)c1cc(C(=O)Nc2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1 ZINC001469160074 1064100418 /nfs/dbraw/zinc/10/04/18/1064100418.db2.gz FRLYQHYTAOIYMV-UHFFFAOYSA-N -1 1 352.249 2.618 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)cc1F ZINC001474999557 1065668650 /nfs/dbraw/zinc/66/86/50/1065668650.db2.gz CVUGDSMNLGIINI-CQSZACIVSA-N -1 1 374.434 2.652 20 5 FFBDMM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335532 1078465286 /nfs/dbraw/zinc/46/52/86/1078465286.db2.gz RWNYUGBIOFYBIK-QWRGUYRKSA-N -1 1 350.404 2.596 20 5 FFBDMM CCO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335532 1078465290 /nfs/dbraw/zinc/46/52/90/1078465290.db2.gz RWNYUGBIOFYBIK-QWRGUYRKSA-N -1 1 350.404 2.596 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1Oc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001579937789 1078721694 /nfs/dbraw/zinc/72/16/94/1078721694.db2.gz XMLHKUYJQPIZJR-UHFFFAOYSA-N -1 1 354.735 2.686 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1cccc2cccnc21 ZINC001582804972 1079111023 /nfs/dbraw/zinc/11/10/23/1079111023.db2.gz TZHSMPJISMSKJR-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1cccc2cccnc21 ZINC001582804972 1079111028 /nfs/dbraw/zinc/11/10/28/1079111028.db2.gz TZHSMPJISMSKJR-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM CC(C)n1cnc2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC001558176502 1075957139 /nfs/dbraw/zinc/95/71/39/1075957139.db2.gz BQWUFPWIFZQBGG-UHFFFAOYSA-N -1 1 355.354 2.556 20 5 FFBDMM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc12 ZINC001561656487 1076403584 /nfs/dbraw/zinc/40/35/84/1076403584.db2.gz DDZSESYFTVHBSZ-UHFFFAOYSA-N -1 1 357.391 2.930 20 5 FFBDMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001561981163 1076459279 /nfs/dbraw/zinc/45/92/79/1076459279.db2.gz PFJDTCUGGILKRY-MRVPVSSYSA-N -1 1 371.242 2.731 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2nc3cnccc3s2)cc([N+](=O)[O-])c1 ZINC001565983491 1076828461 /nfs/dbraw/zinc/82/84/61/1076828461.db2.gz ISLKVNPHVAUBLZ-UHFFFAOYSA-N -1 1 358.335 2.638 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])on1 ZINC001587987148 1079905606 /nfs/dbraw/zinc/90/56/06/1079905606.db2.gz WJFYUJYWQLBGTE-UHFFFAOYSA-N -1 1 368.305 2.684 20 5 FFBDMM CC(C)COc1ccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001589647927 1080649874 /nfs/dbraw/zinc/64/98/74/1080649874.db2.gz AJENPBVIZUVNLN-UHFFFAOYSA-N -1 1 356.342 2.997 20 5 FFBDMM CC(C)COc1ccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001589647927 1080649877 /nfs/dbraw/zinc/64/98/77/1080649877.db2.gz AJENPBVIZUVNLN-UHFFFAOYSA-N -1 1 356.342 2.997 20 5 FFBDMM Cn1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccc4ccccc43)[nH][n-]2)n1 ZINC000539017300 540918526 /nfs/dbraw/zinc/91/85/26/540918526.db2.gz FHEOJQMJLVOEFZ-UHFFFAOYSA-N -1 1 363.337 2.519 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000272429774 252036669 /nfs/dbraw/zinc/03/66/69/252036669.db2.gz OXPAISHYCJHCLQ-GFCCVEGCSA-N -1 1 354.384 2.552 20 5 FFBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000323618138 258115983 /nfs/dbraw/zinc/11/59/83/258115983.db2.gz BMRFBCRZAFFJSC-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000330973471 258174607 /nfs/dbraw/zinc/17/46/07/258174607.db2.gz GENFRLYNKUMYSU-GFCCVEGCSA-N -1 1 362.835 2.732 20 5 FFBDMM COc1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066001428 506409370 /nfs/dbraw/zinc/40/93/70/506409370.db2.gz XBOAMGKCPRXCNA-UHFFFAOYSA-N -1 1 356.425 2.576 20 5 FFBDMM CC(C)n1c(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[n-]c1=S ZINC000066639660 506590243 /nfs/dbraw/zinc/59/02/43/506590243.db2.gz AEVAXYREMHSQKO-UHFFFAOYSA-N -1 1 360.399 2.841 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000067116630 506759855 /nfs/dbraw/zinc/75/98/55/506759855.db2.gz WEZWEXKKYHRCNW-UHFFFAOYSA-N -1 1 364.379 2.729 20 5 FFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000026254514 507572336 /nfs/dbraw/zinc/57/23/36/507572336.db2.gz SLUMYQUBCKKYEF-UHFFFAOYSA-N -1 1 370.291 2.584 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)s1 ZINC000064243739 507787018 /nfs/dbraw/zinc/78/70/18/507787018.db2.gz MIQCRLXZMZZVOD-UHFFFAOYSA-N -1 1 362.816 2.667 20 5 FFBDMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031564915 507820310 /nfs/dbraw/zinc/82/03/10/507820310.db2.gz WWCKRAZVHGTCEY-INIZCTEOSA-N -1 1 355.394 2.695 20 5 FFBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]nc1-c1ccncc1 ZINC000076966011 508268320 /nfs/dbraw/zinc/26/83/20/508268320.db2.gz PDVRJIQACUJMIV-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000131251338 508906128 /nfs/dbraw/zinc/90/61/28/508906128.db2.gz DKQGRWOUMNHMPW-CQSZACIVSA-N -1 1 363.757 2.563 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160160726 508947506 /nfs/dbraw/zinc/94/75/06/508947506.db2.gz DQPXHCLKOGNBST-VIFPVBQESA-N -1 1 356.787 2.993 20 5 FFBDMM CCc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000160410035 508982516 /nfs/dbraw/zinc/98/25/16/508982516.db2.gz BRAZYLBIXKIUDE-UHFFFAOYSA-N -1 1 368.415 2.516 20 5 FFBDMM O=C(NCCOc1cccc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186981043 509986591 /nfs/dbraw/zinc/98/65/91/509986591.db2.gz BAJGZSSBIPJHRW-UHFFFAOYSA-N -1 1 353.334 2.657 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000183841160 510001820 /nfs/dbraw/zinc/00/18/20/510001820.db2.gz FCQGFNJTLLBDRZ-CQSZACIVSA-N -1 1 363.757 2.563 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000193679900 510017698 /nfs/dbraw/zinc/01/76/98/510017698.db2.gz FKVVSTNQELHULH-MRXNPFEDSA-N -1 1 371.393 2.559 20 5 FFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000180820087 510126932 /nfs/dbraw/zinc/12/69/32/510126932.db2.gz NMXZPLGXKIQJFU-UHFFFAOYSA-N -1 1 352.416 2.848 20 5 FFBDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000194657959 510468752 /nfs/dbraw/zinc/46/87/52/510468752.db2.gz AMSAENWZGVOFDE-UHFFFAOYSA-N -1 1 373.390 2.800 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000188255592 510672474 /nfs/dbraw/zinc/67/24/74/510672474.db2.gz WMPGRPVDSHTXPQ-KRWDZBQOSA-N -1 1 364.361 2.742 20 5 FFBDMM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000270616693 510926685 /nfs/dbraw/zinc/92/66/85/510926685.db2.gz JDWUNFJVFAWWGB-MFKMUULPSA-N -1 1 360.407 2.606 20 5 FFBDMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295252744 511338105 /nfs/dbraw/zinc/33/81/05/511338105.db2.gz KQLLSYMJQYUWSA-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365649787 511581815 /nfs/dbraw/zinc/58/18/15/511581815.db2.gz XYDOTVIJABVZDZ-UHFFFAOYSA-N -1 1 368.389 2.964 20 5 FFBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000323308467 511830361 /nfs/dbraw/zinc/83/03/61/511830361.db2.gz DZNAXWUDDDWYGP-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM Cc1ccc(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000392086837 512920779 /nfs/dbraw/zinc/92/07/79/512920779.db2.gz HBORXOKUWCOCKX-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CCOC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000417662948 513146541 /nfs/dbraw/zinc/14/65/41/513146541.db2.gz VQAUVCQUGRIOAG-CQSZACIVSA-N -1 1 350.396 2.903 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425318033 513509288 /nfs/dbraw/zinc/50/92/88/513509288.db2.gz HAJLLZNMNQQVSI-ZDUSSCGKSA-N -1 1 374.397 2.658 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318033 513509295 /nfs/dbraw/zinc/50/92/95/513509295.db2.gz HAJLLZNMNQQVSI-ZDUSSCGKSA-N -1 1 374.397 2.658 20 5 FFBDMM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000451110949 513529874 /nfs/dbraw/zinc/52/98/74/513529874.db2.gz QWTOUWDDCFYBPH-UHFFFAOYSA-N -1 1 366.395 2.975 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2ccncc2)n1 ZINC000437308332 514136975 /nfs/dbraw/zinc/13/69/75/514136975.db2.gz LQAHKJWAZNKILV-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CCOC(=O)c1cnc(C(C)=CC=Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000427276231 514169719 /nfs/dbraw/zinc/16/97/19/514169719.db2.gz WGVRRJQISDLODU-NSBRVXGCSA-N -1 1 355.350 2.972 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(c2nc3ccccc3s2)C1 ZINC000445013234 514386700 /nfs/dbraw/zinc/38/67/00/514386700.db2.gz UGGKJNUHDHVZIN-UHFFFAOYSA-N -1 1 356.363 2.545 20 5 FFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438585953 514410662 /nfs/dbraw/zinc/41/06/62/514410662.db2.gz IMRWRBVOKWUNJO-TVQRCGJNSA-N -1 1 351.721 2.774 20 5 FFBDMM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445137000 514424978 /nfs/dbraw/zinc/42/49/78/514424978.db2.gz NVBHYLLQINVKOR-YMTOWFKASA-N -1 1 365.773 2.855 20 5 FFBDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000445697969 514507130 /nfs/dbraw/zinc/50/71/30/514507130.db2.gz VZMNSCYMSNXQPW-JTQLQIEISA-N -1 1 358.313 2.989 20 5 FFBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000433602516 514527960 /nfs/dbraw/zinc/52/79/60/514527960.db2.gz DPDPGKZXNFPPER-UHFFFAOYSA-N -1 1 364.379 2.997 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2n1 ZINC000479997122 514803009 /nfs/dbraw/zinc/80/30/09/514803009.db2.gz RMSNUJRWZURHQG-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000490513723 515235634 /nfs/dbraw/zinc/23/56/34/515235634.db2.gz QVNMGRXOQLAWKO-UHFFFAOYSA-N -1 1 373.818 2.976 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000499296351 515273962 /nfs/dbraw/zinc/27/39/62/515273962.db2.gz PMLWPSMTUZUFLV-UHFFFAOYSA-N -1 1 358.759 2.769 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486563724 515538280 /nfs/dbraw/zinc/53/82/80/515538280.db2.gz HVJAPKJOWJVNHD-UHFFFAOYSA-N -1 1 364.358 2.973 20 5 FFBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000473354319 515585678 /nfs/dbraw/zinc/58/56/78/515585678.db2.gz XPASLWGMANVDJU-UHFFFAOYSA-N -1 1 354.297 2.940 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1F ZINC000488244715 516172153 /nfs/dbraw/zinc/17/21/53/516172153.db2.gz DJKUAXRWMSONNK-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM CCc1ccc([C@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000518536825 516696820 /nfs/dbraw/zinc/69/68/20/516696820.db2.gz OFRXKRZBWHOHRP-QGZVFWFLSA-N -1 1 355.394 2.650 20 5 FFBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000551445450 516711202 /nfs/dbraw/zinc/71/12/02/516711202.db2.gz UHGMMDHBOPRXCF-UHFFFAOYSA-N -1 1 373.793 2.778 20 5 FFBDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000536458405 516773668 /nfs/dbraw/zinc/77/36/68/516773668.db2.gz FZVWYQKKYLIEAO-UHFFFAOYSA-N -1 1 364.379 2.881 20 5 FFBDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O1 ZINC000518995437 516848054 /nfs/dbraw/zinc/84/80/54/516848054.db2.gz BZKPQULTLBBANC-UHFFFAOYSA-N -1 1 350.352 2.903 20 5 FFBDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000548537218 517040915 /nfs/dbraw/zinc/04/09/15/517040915.db2.gz OIPFFWNKLCWNKS-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM Cc1sc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000545225529 517115975 /nfs/dbraw/zinc/11/59/75/517115975.db2.gz GPJGLUNMWZHXES-UHFFFAOYSA-N -1 1 374.371 2.911 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])n1 ZINC000533176348 517325718 /nfs/dbraw/zinc/32/57/18/517325718.db2.gz ZRKFPEQMPNLLIY-HNNXBMFYSA-N -1 1 364.427 2.549 20 5 FFBDMM CSc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000515476453 517370634 /nfs/dbraw/zinc/37/06/34/517370634.db2.gz PAEHLLBPWSCMAE-UHFFFAOYSA-N -1 1 353.425 2.696 20 5 FFBDMM COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000526949693 517404158 /nfs/dbraw/zinc/40/41/58/517404158.db2.gz CCKLDVCDHRNODD-UHFFFAOYSA-N -1 1 365.773 2.804 20 5 FFBDMM O=C(NCCc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000515574856 517411478 /nfs/dbraw/zinc/41/14/78/517411478.db2.gz FIFZQYAQODWJHZ-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000550111287 517867496 /nfs/dbraw/zinc/86/74/96/517867496.db2.gz IPABQEILUDGCBW-UHFFFAOYSA-N -1 1 358.759 2.763 20 5 FFBDMM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000581493991 518315154 /nfs/dbraw/zinc/31/51/54/518315154.db2.gz RLROUPZGDLNKEY-CQSZACIVSA-N -1 1 362.304 2.537 20 5 FFBDMM COC[C@@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000581493991 518315159 /nfs/dbraw/zinc/31/51/59/518315159.db2.gz RLROUPZGDLNKEY-CQSZACIVSA-N -1 1 362.304 2.537 20 5 FFBDMM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1csc(=NC2CC2)[n-]1 ZINC000564538446 518491478 /nfs/dbraw/zinc/49/14/78/518491478.db2.gz WHPSYRUVXDMPCQ-UHFFFAOYSA-N -1 1 371.422 2.501 20 5 FFBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)cc([N+](=O)[O-])c1C ZINC000579397222 518660190 /nfs/dbraw/zinc/66/01/90/518660190.db2.gz GUDFYBXLPSAOIW-UHFFFAOYSA-N -1 1 364.379 2.881 20 5 FFBDMM COc1cc(CN2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565107770 518789616 /nfs/dbraw/zinc/78/96/16/518789616.db2.gz XNMJLPXJESMIJM-JTQLQIEISA-N -1 1 374.340 2.544 20 5 FFBDMM O=C([O-])c1ccnc(NC2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000567980247 518811949 /nfs/dbraw/zinc/81/19/49/518811949.db2.gz VJXVBYCKKOQDRF-UHFFFAOYSA-N -1 1 374.372 2.904 20 5 FFBDMM COc1cccc(C[C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000580518288 519215367 /nfs/dbraw/zinc/21/53/67/519215367.db2.gz ATZWPRVKBPIOPP-AWEZNQCLSA-N -1 1 357.366 2.551 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000580547373 519232805 /nfs/dbraw/zinc/23/28/05/519232805.db2.gz MSNVFLGFLXTUGG-QMMMGPOBSA-N -1 1 367.203 2.807 20 5 FFBDMM Cc1cc(NC[C@H](CC(C)C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571804370 519283686 /nfs/dbraw/zinc/28/36/86/519283686.db2.gz PAHVTLBDEVVYGM-AWEZNQCLSA-N -1 1 365.430 2.760 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CCC(C)C)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000577956249 519341162 /nfs/dbraw/zinc/34/11/62/519341162.db2.gz WRAHGSIAQIKZNR-ZDUSSCGKSA-N -1 1 360.480 2.940 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000571917768 519346579 /nfs/dbraw/zinc/34/65/79/519346579.db2.gz GSFVODRYJOEZLN-UHFFFAOYSA-N -1 1 364.379 2.729 20 5 FFBDMM O=C([N-]c1nc2n(n1)CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599998565 519993038 /nfs/dbraw/zinc/99/30/38/519993038.db2.gz HHSBFVCLXXONGB-UHFFFAOYSA-N -1 1 366.175 2.537 20 5 FFBDMM Cc1[n-][nH]c(=NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1Br ZINC000597731226 520202539 /nfs/dbraw/zinc/20/25/39/520202539.db2.gz INVAMXKKEQUICY-UHFFFAOYSA-N -1 1 367.203 2.988 20 5 FFBDMM Cc1[n-][nH]c(=NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1Br ZINC000597731784 520203827 /nfs/dbraw/zinc/20/38/27/520203827.db2.gz OPXQBYTXXUGRLS-UHFFFAOYSA-N -1 1 367.203 2.727 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000600492037 520292299 /nfs/dbraw/zinc/29/22/99/520292299.db2.gz OZRMNXKGNCHIIW-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000595352930 520423668 /nfs/dbraw/zinc/42/36/68/520423668.db2.gz GPJMTHKVETUXOA-GJZGRUSLSA-N -1 1 370.452 2.693 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000610260804 520607786 /nfs/dbraw/zinc/60/77/86/520607786.db2.gz MCOCIHUZXHIIMJ-LLVKDONJSA-N -1 1 369.399 2.644 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2csc3ccccc23)c([N+](=O)[O-])n1 ZINC000611106247 520987809 /nfs/dbraw/zinc/98/78/09/520987809.db2.gz UXQSTFOEDVQXRO-UHFFFAOYSA-N -1 1 366.424 2.504 20 5 FFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818075569 597077587 /nfs/dbraw/zinc/07/75/87/597077587.db2.gz AVWFDTTVBNQUDV-RYUDHWBXSA-N -1 1 360.370 2.893 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2ccc(-n3cccn3)cc2)cc1-c1nnn[n-]1 ZINC000826498588 607452230 /nfs/dbraw/zinc/45/22/30/607452230.db2.gz BMLIEBSIDHMRKK-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2ccc(-n3cccn3)cc2)cc1-c1nn[n-]n1 ZINC000826498588 607452232 /nfs/dbraw/zinc/45/22/32/607452232.db2.gz BMLIEBSIDHMRKK-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM C[C@@H]1CN(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736812176 600942124 /nfs/dbraw/zinc/94/21/24/600942124.db2.gz UGBIDAXIQWMQSC-PHIMTYICSA-N -1 1 371.821 2.858 20 5 FFBDMM COc1ccc(OCCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821841396 606645469 /nfs/dbraw/zinc/64/54/69/606645469.db2.gz JBYBRAUKTOHSLM-UHFFFAOYSA-N -1 1 370.369 2.665 20 5 FFBDMM Cc1ccccc1C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822344804 606706730 /nfs/dbraw/zinc/70/67/30/606706730.db2.gz AJKBSSYEWPMGIQ-UHFFFAOYSA-N -1 1 353.386 2.868 20 5 FFBDMM Cc1ccccc1C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822344804 606706732 /nfs/dbraw/zinc/70/67/32/606706732.db2.gz AJKBSSYEWPMGIQ-UHFFFAOYSA-N -1 1 353.386 2.868 20 5 FFBDMM Cc1ccccc1[C@H]1C[C@@H](C)N(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822351221 606712253 /nfs/dbraw/zinc/71/22/53/606712253.db2.gz LYVYQNCOTBQGLX-OLZOCXBDSA-N -1 1 365.397 2.861 20 5 FFBDMM Cc1ccccc1[C@H]1C[C@@H](C)N(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822351221 606712254 /nfs/dbraw/zinc/71/22/54/606712254.db2.gz LYVYQNCOTBQGLX-OLZOCXBDSA-N -1 1 365.397 2.861 20 5 FFBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820774574 606713672 /nfs/dbraw/zinc/71/36/72/606713672.db2.gz FUXXAGONJJUJMS-OCCSQVGLSA-N -1 1 365.397 2.800 20 5 FFBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820774574 606713673 /nfs/dbraw/zinc/71/36/73/606713673.db2.gz FUXXAGONJJUJMS-OCCSQVGLSA-N -1 1 365.397 2.800 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nc2ccccc2s1 ZINC000823630234 607162253 /nfs/dbraw/zinc/16/22/53/607162253.db2.gz SMVDXWUXCBHVOG-UHFFFAOYSA-N -1 1 357.380 2.931 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nc2ccccc2s1 ZINC000823630234 607162254 /nfs/dbraw/zinc/16/22/54/607162254.db2.gz SMVDXWUXCBHVOG-UHFFFAOYSA-N -1 1 357.380 2.931 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000026235577 727867231 /nfs/dbraw/zinc/86/72/31/727867231.db2.gz PAKLRNGFHQOQJD-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1[N+](=O)[O-] ZINC000130800949 728720756 /nfs/dbraw/zinc/72/07/56/728720756.db2.gz NVDQINWVAXORGO-UHFFFAOYSA-N -1 1 367.774 2.629 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000132328486 728724281 /nfs/dbraw/zinc/72/42/81/728724281.db2.gz SBVYEWOZIUZZNA-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000132374354 728724373 /nfs/dbraw/zinc/72/43/73/728724373.db2.gz HMYLDBYTYNQROR-UHFFFAOYSA-N -1 1 354.359 2.644 20 5 FFBDMM Cc1csc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000146701892 728742981 /nfs/dbraw/zinc/74/29/81/728742981.db2.gz XCGMKYWWBJQPRR-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000171427881 729004615 /nfs/dbraw/zinc/00/46/15/729004615.db2.gz AHUJRADNCUTCLC-UHFFFAOYSA-N -1 1 368.386 2.956 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000194331259 729507428 /nfs/dbraw/zinc/50/74/28/729507428.db2.gz BNFGKUABKNJGSH-UHFFFAOYSA-N -1 1 363.370 2.736 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000194441828 729510433 /nfs/dbraw/zinc/51/04/33/729510433.db2.gz AYNCIUDKNGDUKR-NSHDSACASA-N -1 1 352.799 2.866 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000503846982 729923786 /nfs/dbraw/zinc/92/37/86/729923786.db2.gz QARLCHPVENPZQF-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]nc1C1CC1 ZINC000857252238 730387594 /nfs/dbraw/zinc/38/75/94/730387594.db2.gz NQFAKSPGHKVVTD-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1 ZINC000859313452 730449863 /nfs/dbraw/zinc/44/98/63/730449863.db2.gz VMDVSNNFNXDSEM-VIFPVBQESA-N -1 1 372.424 2.713 20 5 FFBDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2C1 ZINC000783867296 738844167 /nfs/dbraw/zinc/84/41/67/738844167.db2.gz MTTIHIJHUQGMTC-MRXNPFEDSA-N -1 1 362.407 2.818 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C(C2CCCC2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000754805975 736201374 /nfs/dbraw/zinc/20/13/74/736201374.db2.gz UUNGHFQOTGRVKD-UHFFFAOYSA-N -1 1 370.475 2.839 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000758452778 736490285 /nfs/dbraw/zinc/49/02/85/736490285.db2.gz UCKWISQWKWXYLL-ZDUSSCGKSA-N -1 1 360.407 2.608 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Oc2c(C)cccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000760013423 736610116 /nfs/dbraw/zinc/61/01/16/736610116.db2.gz BMOFYZVWNNRJKV-UHFFFAOYSA-N -1 1 363.395 2.967 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000762586164 736841011 /nfs/dbraw/zinc/84/10/11/736841011.db2.gz CHPJBNOHSXMGHU-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COCc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000766581197 737244777 /nfs/dbraw/zinc/24/47/77/737244777.db2.gz RBBBPLRUTJZPEB-UHFFFAOYSA-N -1 1 370.358 2.690 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000768818508 737462000 /nfs/dbraw/zinc/46/20/00/737462000.db2.gz YHEQKCOZYFZKSP-MRVPVSSYSA-N -1 1 357.369 2.604 20 5 FFBDMM CCN(CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000769113071 737496582 /nfs/dbraw/zinc/49/65/82/737496582.db2.gz HEDKXTGNGCVONN-UHFFFAOYSA-N -1 1 350.293 2.732 20 5 FFBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1F ZINC000769889995 737579387 /nfs/dbraw/zinc/57/93/87/737579387.db2.gz LEOJPXMJFMKWFV-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)cc1Cl ZINC000791410849 739560209 /nfs/dbraw/zinc/56/02/09/739560209.db2.gz DDKKVNCDVNIDKR-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c([O-])cc(F)cc1F ZINC000791798432 739604313 /nfs/dbraw/zinc/60/43/13/739604313.db2.gz UFADCCKFNJZTHI-UHFFFAOYSA-N -1 1 354.221 2.844 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC(C)CC1 ZINC000795264197 739992557 /nfs/dbraw/zinc/99/25/57/739992557.db2.gz PGHYWGZCYIXMBN-UHFFFAOYSA-N -1 1 360.407 2.608 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000798225005 740314255 /nfs/dbraw/zinc/31/42/55/740314255.db2.gz WWWVVKAWMAUAPM-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809821409 741348761 /nfs/dbraw/zinc/34/87/61/741348761.db2.gz RWQSMWMAANRCQI-SFYZADRCSA-N -1 1 368.839 2.950 20 5 FFBDMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000809834202 741351455 /nfs/dbraw/zinc/35/14/55/741351455.db2.gz BIHWNNYMOCEWQA-QMMMGPOBSA-N -1 1 366.798 2.623 20 5 FFBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000809841191 741352556 /nfs/dbraw/zinc/35/25/56/741352556.db2.gz ZLFFTAFWNFNUCB-AWEZNQCLSA-N -1 1 370.452 2.694 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811856423 741568120 /nfs/dbraw/zinc/56/81/20/741568120.db2.gz ORQXNTGDVUPLDM-LLVKDONJSA-N -1 1 360.336 2.502 20 5 FFBDMM CC(C)(NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1[N+](=O)[O-] ZINC000817038682 742082834 /nfs/dbraw/zinc/08/28/34/742082834.db2.gz ZUYRWVTWDVIFNJ-UHFFFAOYSA-N -1 1 357.395 2.591 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1Cl ZINC000831086130 745478320 /nfs/dbraw/zinc/47/83/20/745478320.db2.gz LFTLVSYJCHUODB-QMMMGPOBSA-N -1 1 369.226 2.607 20 5 FFBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC000831353299 745518986 /nfs/dbraw/zinc/51/89/86/745518986.db2.gz QESNSZODKIJUNH-SSDOTTSWSA-N -1 1 369.378 2.611 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000831728733 745576459 /nfs/dbraw/zinc/57/64/59/745576459.db2.gz JSOKNULBYHEAJV-MRVPVSSYSA-N -1 1 373.175 2.679 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(Cl)Cl ZINC000832370402 745686272 /nfs/dbraw/zinc/68/62/72/745686272.db2.gz VYRZJNRMBKYHKV-VIFPVBQESA-N -1 1 359.256 2.909 20 5 FFBDMM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)co1 ZINC000832474226 745705002 /nfs/dbraw/zinc/70/50/02/745705002.db2.gz WLZFHXNTTDXMKD-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000832500052 745708997 /nfs/dbraw/zinc/70/89/97/745708997.db2.gz DLIOWAXGMXWIKK-GXTWGEPZSA-N -1 1 366.370 2.577 20 5 FFBDMM C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000843039681 747753676 /nfs/dbraw/zinc/75/36/76/747753676.db2.gz DUXNMNUMASZYQZ-VHSXEESVSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000843039679 747753897 /nfs/dbraw/zinc/75/38/97/747753897.db2.gz DUXNMNUMASZYQZ-NXEZZACHSA-N -1 1 357.204 2.900 20 5 FFBDMM CCc1nc(C)c(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000848590263 748967921 /nfs/dbraw/zinc/96/79/21/748967921.db2.gz KTUUOQGFHRUNKX-UHFFFAOYSA-N -1 1 355.297 2.742 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000849461306 749165701 /nfs/dbraw/zinc/16/57/01/749165701.db2.gz PNPUZNQETPBLHT-NSHDSACASA-N -1 1 354.762 2.962 20 5 FFBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000056124771 845353595 /nfs/dbraw/zinc/35/35/95/845353595.db2.gz LUOQZDKSHIXHBP-UHFFFAOYSA-N -1 1 371.758 2.635 20 5 FFBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000128736586 979796133 /nfs/dbraw/zinc/79/61/33/979796133.db2.gz BQQSJGXUKGPZOD-UHFFFAOYSA-N -1 1 361.329 2.528 20 5 FFBDMM COc1cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263303125 980656049 /nfs/dbraw/zinc/65/60/49/980656049.db2.gz GVTUHFPBKDQNHO-ONGXEEELSA-N -1 1 374.340 2.747 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000194167818 989173179 /nfs/dbraw/zinc/17/31/79/989173179.db2.gz PTBPCNAHSCYQPW-UHFFFAOYSA-N -1 1 352.350 2.824 20 5 FFBDMM Cc1ccc2c(=O)c(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])c[n-]c2n1 ZINC000194167818 989173183 /nfs/dbraw/zinc/17/31/83/989173183.db2.gz PTBPCNAHSCYQPW-UHFFFAOYSA-N -1 1 352.350 2.824 20 5 FFBDMM C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1CC(=O)[O-] ZINC001599866713 989277426 /nfs/dbraw/zinc/27/74/26/989277426.db2.gz YHHUPJKUTILEGP-MWLCHTKSSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844209805 997728506 /nfs/dbraw/zinc/72/85/06/997728506.db2.gz OCPIXRMSPMUIMW-OAHLLOKOSA-N -1 1 369.421 2.933 20 5 FFBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594166703 998634559 /nfs/dbraw/zinc/63/45/59/998634559.db2.gz ANRWJZLFECVPHU-SCZZXKLOSA-N -1 1 366.761 2.593 20 5 FFBDMM O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc([O-])cc4F)no3)c2c1 ZINC000771210391 1001052066 /nfs/dbraw/zinc/05/20/66/1001052066.db2.gz KJWDWDDRKMFLOZ-UHFFFAOYSA-N -1 1 355.285 2.888 20 5 FFBDMM COc1cnc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)[n-]c1=O ZINC001187824581 1006243769 /nfs/dbraw/zinc/24/37/69/1006243769.db2.gz URROSRYSLNZOQI-HNNXBMFYSA-N -1 1 367.365 2.989 20 5 FFBDMM Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)cc1 ZINC001152419471 1032164091 /nfs/dbraw/zinc/16/40/91/1032164091.db2.gz SFSMSWSRDYLIEF-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001116234608 1032207803 /nfs/dbraw/zinc/20/78/03/1032207803.db2.gz ZLTJDLCPYUIRSW-UHFFFAOYSA-N -1 1 365.748 2.803 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000820402253 1008327848 /nfs/dbraw/zinc/32/78/48/1008327848.db2.gz JHGMKNSZRKPEJU-UHFFFAOYSA-N -1 1 359.386 2.821 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccs1)Cc1ccncc1 ZINC001180681293 1009799756 /nfs/dbraw/zinc/79/97/56/1009799756.db2.gz HDBICVXUUJOHTA-UHFFFAOYSA-N -1 1 370.390 2.995 20 5 FFBDMM O=C(OCc1nnc(-c2cccc(F)c2)o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076573 1019620761 /nfs/dbraw/zinc/62/07/61/1019620761.db2.gz RSCABNSOAOPERK-UHFFFAOYSA-N -1 1 359.269 2.847 20 5 FFBDMM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077387 1019662390 /nfs/dbraw/zinc/66/23/90/1019662390.db2.gz YABDSHMLNNGIOH-UHFFFAOYSA-N -1 1 362.294 2.835 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000755675330 1023622732 /nfs/dbraw/zinc/62/27/32/1023622732.db2.gz RWMHXASMMCGEBI-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM O=C1OCCCN1c1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000784245781 1030531480 /nfs/dbraw/zinc/53/14/80/1030531480.db2.gz IRVNPZGQOFPNPX-UHFFFAOYSA-N -1 1 355.310 2.987 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661777 1034354521 /nfs/dbraw/zinc/35/45/21/1034354521.db2.gz OYLGLMHKFTYPRX-YVEFUNNKSA-N -1 1 365.386 2.864 20 5 FFBDMM CCCCOC(=O)[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228863396 1036370295 /nfs/dbraw/zinc/37/02/95/1036370295.db2.gz XRDPWEWCYUGTOO-SSDOTTSWSA-N -1 1 352.265 2.825 20 5 FFBDMM CN1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc3cc([O-])ccc3c4=O)[C@H]1CC(=O)C2 ZINC001229516200 1036715268 /nfs/dbraw/zinc/71/52/68/1036715268.db2.gz ILPMFEAGUCIYOU-VNNHTSALSA-N -1 1 365.385 2.835 20 5 FFBDMM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751520 1036869718 /nfs/dbraw/zinc/86/97/18/1036869718.db2.gz VRKITLXQPGETKP-BFHYXJOUSA-N -1 1 357.403 2.833 20 5 FFBDMM CCCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124374 1036929191 /nfs/dbraw/zinc/92/91/91/1036929191.db2.gz HYWIYWSISBZFED-VIFPVBQESA-N -1 1 374.345 2.784 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OC4CN(C(C)C)C4)cc([O-])cc3oc21 ZINC001234750370 1037165926 /nfs/dbraw/zinc/16/59/26/1037165926.db2.gz ZDWZFBHWGSXELM-UHFFFAOYSA-N -1 1 371.389 2.837 20 5 FFBDMM C[C@H]1OCC[C@H]1COc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234752188 1037169119 /nfs/dbraw/zinc/16/91/19/1037169119.db2.gz FOECHAZPTKVORI-ZJUUUORDSA-N -1 1 358.346 2.867 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4COC[C@@H]4C)cc3c(=O)c12 ZINC001234799039 1037183436 /nfs/dbraw/zinc/18/34/36/1037183436.db2.gz LGVYVZVBINHYHB-XYZCENFISA-N -1 1 358.346 2.780 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC001231259761 1037514396 /nfs/dbraw/zinc/51/43/96/1037514396.db2.gz PNRYZBCHZOKZBJ-LLVKDONJSA-N -1 1 353.375 2.782 20 5 FFBDMM COC(=O)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC001231261669 1037515499 /nfs/dbraw/zinc/51/54/99/1037515499.db2.gz CBYSNZKQHOVLSC-CYBMUJFWSA-N -1 1 352.730 2.950 20 5 FFBDMM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001213808213 1040933971 /nfs/dbraw/zinc/93/39/71/1040933971.db2.gz KFNYMOOOVDXLIP-ZETCQYMHSA-N -1 1 371.242 2.993 20 5 FFBDMM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001213808211 1040936330 /nfs/dbraw/zinc/93/63/30/1040936330.db2.gz KFNYMOOOVDXLIP-SSDOTTSWSA-N -1 1 371.242 2.993 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1[N+](=O)[O-] ZINC001213886250 1041024460 /nfs/dbraw/zinc/02/44/60/1041024460.db2.gz LLMZGPDCZUSPHB-VIFPVBQESA-N -1 1 373.793 2.864 20 5 FFBDMM CN(C)S(=O)(=O)c1ccc(Nc2c(F)ccc([N+](=O)[O-])c2F)c([O-])c1 ZINC001215297105 1041727202 /nfs/dbraw/zinc/72/72/02/1041727202.db2.gz CLFVQEGQXZQIBL-UHFFFAOYSA-N -1 1 373.337 2.573 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC001266147700 1042897047 /nfs/dbraw/zinc/89/70/47/1042897047.db2.gz ZGCUGFIVADHNLY-UHFFFAOYSA-N -1 1 370.774 2.837 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@H]2CCCCO2)CC1 ZINC001309892741 1043577322 /nfs/dbraw/zinc/57/73/22/1043577322.db2.gz XFWMKBSIBMYMHP-CYBMUJFWSA-N -1 1 360.819 2.628 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1=CCOCC1 ZINC001309950574 1043605070 /nfs/dbraw/zinc/60/50/70/1043605070.db2.gz GLCHTJMJFKPBRA-UHFFFAOYSA-N -1 1 374.846 2.899 20 5 FFBDMM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC001325204278 1046415296 /nfs/dbraw/zinc/41/52/96/1046415296.db2.gz SAYDPJRUQYYKPN-HTQZYQBOSA-N -1 1 369.226 2.747 20 5 FFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1c([O-])cnc2c(F)cccc21 ZINC001540431838 1070888958 /nfs/dbraw/zinc/88/89/58/1070888958.db2.gz XBYXIRHGAPBMPA-UHFFFAOYSA-N -1 1 370.340 2.830 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CC2(CC2(F)F)C1 ZINC001327401889 1047880034 /nfs/dbraw/zinc/88/00/34/1047880034.db2.gz FBMDWGHZZUBPGX-UHFFFAOYSA-N -1 1 352.746 2.714 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC2(CC2(F)F)C1 ZINC001329370273 1048689381 /nfs/dbraw/zinc/68/93/81/1048689381.db2.gz NPRVIUXALMMYMC-UHFFFAOYSA-N -1 1 352.746 2.714 20 5 FFBDMM CSc1nc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n[nH]1 ZINC001292382609 1049330515 /nfs/dbraw/zinc/33/05/15/1049330515.db2.gz UOEIAJKGYVUMGT-UHFFFAOYSA-N -1 1 356.367 2.749 20 5 FFBDMM O=C(N[C@H](Cc1cccnc1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302867187 1051217537 /nfs/dbraw/zinc/21/75/37/1051217537.db2.gz CLGKTRGCARTEFQ-OAHLLOKOSA-N -1 1 356.382 2.622 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)cc1F ZINC001463396892 1062084502 /nfs/dbraw/zinc/08/45/02/1062084502.db2.gz CDSOYOFLUOPZIP-QWHCGFSZSA-N -1 1 374.434 2.914 20 5 FFBDMM CC/C=C\C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001463776245 1062255230 /nfs/dbraw/zinc/25/52/30/1062255230.db2.gz NKDZHRAVHHIABU-ARJAWSKDSA-N -1 1 367.196 2.741 20 5 FFBDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001464527264 1062664286 /nfs/dbraw/zinc/66/42/86/1062664286.db2.gz DEDJVICAUOPCBI-DOLQZWNJSA-N -1 1 362.810 2.958 20 5 FFBDMM CCN1c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2OCC(C)(C)C1=O ZINC001470890432 1064482586 /nfs/dbraw/zinc/48/25/86/1064482586.db2.gz ZBRBZKHJDLBZPN-UHFFFAOYSA-N -1 1 372.381 2.947 20 5 FFBDMM Cc1ccc(OCCN(C)c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001581210635 1078938942 /nfs/dbraw/zinc/93/89/42/1078938942.db2.gz WXHURAWRWNCBBS-UHFFFAOYSA-N -1 1 360.399 2.660 20 5 FFBDMM Cc1ccc(OCCN(C)c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001581210635 1078938946 /nfs/dbraw/zinc/93/89/46/1078938946.db2.gz WXHURAWRWNCBBS-UHFFFAOYSA-N -1 1 360.399 2.660 20 5 FFBDMM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001556071917 1075697158 /nfs/dbraw/zinc/69/71/58/1075697158.db2.gz WVVORNNNXOLPJU-CYBMUJFWSA-N -1 1 373.756 2.591 20 5 FFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])sc1C ZINC001561353782 1076367275 /nfs/dbraw/zinc/36/72/75/1076367275.db2.gz HRNDBCYCUKRZAM-UHFFFAOYSA-N -1 1 373.431 2.637 20 5 FFBDMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001586304962 1079595045 /nfs/dbraw/zinc/59/50/45/1079595045.db2.gz OETWAXWBTNTDQK-UHFFFAOYSA-N -1 1 374.744 2.593 20 5 FFBDMM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001586645687 1079662243 /nfs/dbraw/zinc/66/22/43/1079662243.db2.gz JSWJOFWPBAUPRV-UHFFFAOYSA-N -1 1 353.334 2.628 20 5 FFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001589980473 1080918994 /nfs/dbraw/zinc/91/89/94/1080918994.db2.gz AXDADKAZFKWYQQ-SECBINFHSA-N -1 1 354.326 2.677 20 5 FFBDMM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000289656119 257292441 /nfs/dbraw/zinc/29/24/41/257292441.db2.gz IMGMTNCIJDPLHT-JTQLQIEISA-N -1 1 374.319 2.517 20 5 FFBDMM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066269692 506464227 /nfs/dbraw/zinc/46/42/27/506464227.db2.gz XXNZKGRCPCLXSF-UHFFFAOYSA-N -1 1 364.383 2.668 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1CO ZINC000054040864 506482267 /nfs/dbraw/zinc/48/22/67/506482267.db2.gz YDQTYNFRBNOSFS-UHFFFAOYSA-N -1 1 366.395 2.595 20 5 FFBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067093759 506755623 /nfs/dbraw/zinc/75/56/23/506755623.db2.gz RCPNGTQIACCQHT-UHFFFAOYSA-N -1 1 367.818 2.810 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Br ZINC000091369850 507982527 /nfs/dbraw/zinc/98/25/27/507982527.db2.gz KXRCRGWQMNKTCE-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112851313 508227109 /nfs/dbraw/zinc/22/71/09/508227109.db2.gz GAOOXUUTPNGENJ-UHFFFAOYSA-N -1 1 363.395 2.999 20 5 FFBDMM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000113982485 508289613 /nfs/dbraw/zinc/28/96/13/508289613.db2.gz FQJBVXUITHAAAF-UHFFFAOYSA-N -1 1 355.358 2.616 20 5 FFBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000133913894 508467696 /nfs/dbraw/zinc/46/76/96/508467696.db2.gz YQXNRFRZAIDITE-UHFFFAOYSA-N -1 1 361.379 2.731 20 5 FFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CO2 ZINC000152563796 508470918 /nfs/dbraw/zinc/47/09/18/508470918.db2.gz BQOUPOAWWVUWGP-ZDUSSCGKSA-N -1 1 368.798 2.969 20 5 FFBDMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000127773679 508498232 /nfs/dbraw/zinc/49/82/32/508498232.db2.gz YPOPDFQHKXOOFS-UHFFFAOYSA-N -1 1 364.361 2.636 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000116366824 508503745 /nfs/dbraw/zinc/50/37/45/508503745.db2.gz GUBWWMOQAPJPLL-UHFFFAOYSA-N -1 1 371.415 2.938 20 5 FFBDMM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000154279416 508751494 /nfs/dbraw/zinc/75/14/94/508751494.db2.gz GMDLCKIVDGWWHU-NSHDSACASA-N -1 1 370.452 2.822 20 5 FFBDMM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124157299 508789882 /nfs/dbraw/zinc/78/98/82/508789882.db2.gz AZQTYEJWOPMDTM-LLVKDONJSA-N -1 1 364.851 2.571 20 5 FFBDMM CCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000160245978 508959761 /nfs/dbraw/zinc/95/97/61/508959761.db2.gz MSYXAWNPFACJCM-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ncc(-c2ccccc2)o1 ZINC000156016502 509110441 /nfs/dbraw/zinc/11/04/41/509110441.db2.gz XXKMUOXVILTXNX-SNVBAGLBSA-N -1 1 354.322 2.841 20 5 FFBDMM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000188633943 509184161 /nfs/dbraw/zinc/18/41/61/509184161.db2.gz YFTBKDKLQJKFTK-LBPRGKRZSA-N -1 1 355.272 2.771 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccc(C)o1 ZINC000192005640 509290527 /nfs/dbraw/zinc/29/05/27/509290527.db2.gz MCFJMUATQBSXBW-CYBMUJFWSA-N -1 1 368.411 2.779 20 5 FFBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ncc(F)cc1F ZINC000192101485 509345347 /nfs/dbraw/zinc/34/53/47/509345347.db2.gz NUVPKLDHCNNZDK-UHFFFAOYSA-N -1 1 351.265 2.682 20 5 FFBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000173484328 509629050 /nfs/dbraw/zinc/62/90/50/509629050.db2.gz UNMITSYUSHLIAT-ZDUSSCGKSA-N -1 1 353.425 2.789 20 5 FFBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000173523369 509640163 /nfs/dbraw/zinc/64/01/63/509640163.db2.gz HBPWVYMUUTVZIQ-ZDUSSCGKSA-N -1 1 364.851 2.978 20 5 FFBDMM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000237531325 509670465 /nfs/dbraw/zinc/67/04/65/509670465.db2.gz IBKKIZWOLDDZHX-ZUZCIYMTSA-N -1 1 368.349 2.663 20 5 FFBDMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173713509 509735410 /nfs/dbraw/zinc/73/54/10/509735410.db2.gz KRVVQYDFDLOCQN-LLVKDONJSA-N -1 1 356.425 2.711 20 5 FFBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1F ZINC000176924859 509769879 /nfs/dbraw/zinc/76/98/79/509769879.db2.gz JUISZXILSKGHIE-SNVBAGLBSA-N -1 1 374.415 2.931 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000173812815 509792237 /nfs/dbraw/zinc/79/22/37/509792237.db2.gz BGKFJTHHAQOSPB-UHFFFAOYSA-N -1 1 355.441 2.709 20 5 FFBDMM O=C(NCc1csc(-c2ccccc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193372414 509885638 /nfs/dbraw/zinc/88/56/38/509885638.db2.gz UZMTVAWVOHLDNU-UHFFFAOYSA-N -1 1 356.363 2.749 20 5 FFBDMM O=C(NCc1ccccc1OC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186829241 509908656 /nfs/dbraw/zinc/90/86/56/509908656.db2.gz AAKPGTDXJFOBHJ-UHFFFAOYSA-N -1 1 357.244 2.524 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000186859664 509917217 /nfs/dbraw/zinc/91/72/17/509917217.db2.gz YWJCTRTYMBRCBZ-GFCCVEGCSA-N -1 1 363.395 2.578 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1CO ZINC000265262873 509954176 /nfs/dbraw/zinc/95/41/76/509954176.db2.gz LXYWIKKUIBAWJW-UHFFFAOYSA-N -1 1 366.395 2.595 20 5 FFBDMM COc1ccccc1C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000193669153 510012718 /nfs/dbraw/zinc/01/27/18/510012718.db2.gz BHTJHBSOVSWRQF-AWEZNQCLSA-N -1 1 359.382 2.701 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC1CCOCC1 ZINC000187091017 510050841 /nfs/dbraw/zinc/05/08/41/510050841.db2.gz UCEYATUFLSSFOQ-UHFFFAOYSA-N -1 1 371.393 2.764 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)s1 ZINC000190343593 510076011 /nfs/dbraw/zinc/07/60/11/510076011.db2.gz DUGZWXDTCWGCNR-LLVKDONJSA-N -1 1 354.409 2.718 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000268981582 510173267 /nfs/dbraw/zinc/17/32/67/510173267.db2.gz PDMUURHJHWOVEA-JTQLQIEISA-N -1 1 360.819 2.628 20 5 FFBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000282583364 511034870 /nfs/dbraw/zinc/03/48/70/511034870.db2.gz PGYRHIQTDYRBJN-SOZUMNATSA-N -1 1 361.398 2.505 20 5 FFBDMM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000294377934 511045462 /nfs/dbraw/zinc/04/54/62/511045462.db2.gz YSIKUUZPEFOFCS-MRVPVSSYSA-N -1 1 364.383 2.615 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000325087726 511844419 /nfs/dbraw/zinc/84/44/19/511844419.db2.gz JBLRKWGFMPXYRP-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000327679238 511879919 /nfs/dbraw/zinc/87/99/19/511879919.db2.gz MVGBXCRORVBUPA-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274961080 511999668 /nfs/dbraw/zinc/99/96/68/511999668.db2.gz KZOFDOOBIBPKFD-UHFFFAOYSA-N -1 1 372.381 2.610 20 5 FFBDMM CN(C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cccc21 ZINC000447720212 513551992 /nfs/dbraw/zinc/55/19/92/513551992.db2.gz BCYNEEJSKXESPI-HNNXBMFYSA-N -1 1 357.366 2.938 20 5 FFBDMM CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000442219524 513685141 /nfs/dbraw/zinc/68/51/41/513685141.db2.gz CBZFLKQBXHLQFR-UHFFFAOYSA-N -1 1 366.395 2.914 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000436506827 513876401 /nfs/dbraw/zinc/87/64/01/513876401.db2.gz UUSYYCISLRTGPJ-UHFFFAOYSA-N -1 1 373.365 2.918 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436504480 513877146 /nfs/dbraw/zinc/87/71/46/513877146.db2.gz KCUKFXYPDCSIHZ-VIFPVBQESA-N -1 1 362.313 2.968 20 5 FFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000443929105 514073623 /nfs/dbraw/zinc/07/36/23/514073623.db2.gz ODPQUUDHMCWJGV-QPUJVOFHSA-N -1 1 370.349 2.859 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000427253209 514161598 /nfs/dbraw/zinc/16/15/98/514161598.db2.gz MMQRESFLWQZKHD-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000427252819 514162582 /nfs/dbraw/zinc/16/25/82/514162582.db2.gz YQAUCLMOSSSGKQ-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM CCOc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000444860169 514353463 /nfs/dbraw/zinc/35/34/63/514353463.db2.gz PYDRLRNQDWGFRA-SNVBAGLBSA-N -1 1 361.354 2.594 20 5 FFBDMM O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445001340 514386176 /nfs/dbraw/zinc/38/61/76/514386176.db2.gz UGBRHTPFNFTMOJ-LLVKDONJSA-N -1 1 359.235 2.868 20 5 FFBDMM O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438577264 514407279 /nfs/dbraw/zinc/40/72/79/514407279.db2.gz NRZLDFSMACAICN-PWSUYJOCSA-N -1 1 365.292 2.583 20 5 FFBDMM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000433444206 514494100 /nfs/dbraw/zinc/49/41/00/514494100.db2.gz SFCCMRHZXDMAEH-UHFFFAOYSA-N -1 1 370.452 2.966 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000502408838 514638813 /nfs/dbraw/zinc/63/88/13/514638813.db2.gz FHXWUFPMCGAUHX-UHFFFAOYSA-N -1 1 350.278 2.504 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)ccc1[N+](=O)[O-] ZINC000471136132 514765786 /nfs/dbraw/zinc/76/57/86/514765786.db2.gz IIQKKYVRDXRRFI-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000466890848 514816599 /nfs/dbraw/zinc/81/65/99/514816599.db2.gz FNTFGEADRCMLSF-SMDDNHRTSA-N -1 1 362.835 2.730 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1C ZINC000509661241 515280844 /nfs/dbraw/zinc/28/08/44/515280844.db2.gz LCMLSHWHRJPDCN-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM COc1cc(O)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491822697 515470805 /nfs/dbraw/zinc/47/08/05/515470805.db2.gz XHYMMHUAPFDAPP-UHFFFAOYSA-N -1 1 352.368 2.727 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(CC)(CC)CC2)c([N+](=O)[O-])n1 ZINC000474392492 516027524 /nfs/dbraw/zinc/02/75/24/516027524.db2.gz WDNLMCNSBUMOTK-UHFFFAOYSA-N -1 1 358.464 2.839 20 5 FFBDMM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])C1 ZINC000512008559 516114511 /nfs/dbraw/zinc/11/45/11/516114511.db2.gz LOKNOAIPVBVHQA-STQMWFEESA-N -1 1 370.409 2.852 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000531310999 516399000 /nfs/dbraw/zinc/39/90/00/516399000.db2.gz PFAVWYCUWVIWCL-UHFFFAOYSA-N -1 1 354.288 2.952 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531451928 516472885 /nfs/dbraw/zinc/47/28/85/516472885.db2.gz OUQCZLOKXVDMPL-ZJUUUORDSA-N -1 1 367.349 2.637 20 5 FFBDMM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547918447 516633937 /nfs/dbraw/zinc/63/39/37/516633937.db2.gz XJSOWYCRBKSVAW-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCc2ccccc21 ZINC000537019779 517004504 /nfs/dbraw/zinc/00/45/04/517004504.db2.gz SJJDXKLNGMHDMD-QGZVFWFLSA-N -1 1 361.423 2.562 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000537653564 517281252 /nfs/dbraw/zinc/28/12/52/517281252.db2.gz NFMKQEGGJBOWSW-UHFFFAOYSA-N -1 1 359.363 2.546 20 5 FFBDMM CCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000533633525 517554048 /nfs/dbraw/zinc/55/40/48/517554048.db2.gz OKGHNZAWSPLRMI-ZDUSSCGKSA-N -1 1 352.416 2.631 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(Br)c1 ZINC000549602352 517633854 /nfs/dbraw/zinc/63/38/54/517633854.db2.gz CHQXAYWTBXEXGC-VHSXEESVSA-N -1 1 367.196 2.526 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000542744500 517714062 /nfs/dbraw/zinc/71/40/62/517714062.db2.gz FBGLPPRUQLHVPA-CYBMUJFWSA-N -1 1 368.411 2.779 20 5 FFBDMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553755094 517886324 /nfs/dbraw/zinc/88/63/24/517886324.db2.gz XCOLBBBZBFHVPS-YSVLISHTSA-N -1 1 371.393 2.777 20 5 FFBDMM Cc1c(Br)c([N-]c2ccn(CC(F)F)n2)ncc1[N+](=O)[O-] ZINC000543438218 518091153 /nfs/dbraw/zinc/09/11/53/518091153.db2.gz JJQDXEDFFHAMBT-UHFFFAOYSA-N -1 1 362.134 2.688 20 5 FFBDMM Cc1ccccc1CN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000569490092 519578634 /nfs/dbraw/zinc/57/86/34/519578634.db2.gz YUAOLGKNDATDEF-UHFFFAOYSA-N -1 1 355.394 2.924 20 5 FFBDMM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753546 520134675 /nfs/dbraw/zinc/13/46/75/520134675.db2.gz SHHHOJIRXIVEDU-ZDUSSCGKSA-N -1 1 365.411 2.818 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1(F)F ZINC000594851233 520186979 /nfs/dbraw/zinc/18/69/79/520186979.db2.gz HZNJIKMZHIHBBT-JTQLQIEISA-N -1 1 374.287 2.937 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000603507026 520289495 /nfs/dbraw/zinc/28/94/95/520289495.db2.gz MTDLQBSEYHUIDQ-UHFFFAOYSA-N -1 1 365.349 2.501 20 5 FFBDMM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CO1 ZINC000597935376 520336192 /nfs/dbraw/zinc/33/61/92/520336192.db2.gz SZQOZWVTMGNQAU-HNNXBMFYSA-N -1 1 371.393 2.905 20 5 FFBDMM O=C([O-])c1ccc(F)c2c1CN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000600676113 520392086 /nfs/dbraw/zinc/39/20/86/520392086.db2.gz XWGWJVDBIZCFBB-UHFFFAOYSA-N -1 1 360.341 2.869 20 5 FFBDMM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000595352900 520423397 /nfs/dbraw/zinc/42/33/97/520423397.db2.gz FZOXZRRGOSMBIX-SJORKVTESA-N -1 1 364.423 2.631 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c2ncccc12 ZINC000613343947 520457479 /nfs/dbraw/zinc/45/74/79/520457479.db2.gz ADTWNIXDIAGVDH-UHFFFAOYSA-N -1 1 369.362 2.592 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032500 520513287 /nfs/dbraw/zinc/51/32/87/520513287.db2.gz ITHFGHQNUJNBIK-UHFFFAOYSA-N -1 1 352.759 2.697 20 5 FFBDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000604478041 520571320 /nfs/dbraw/zinc/57/13/20/520571320.db2.gz GSZNMDVUALJYRS-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000610260805 520607763 /nfs/dbraw/zinc/60/77/63/520607763.db2.gz MCOCIHUZXHIIMJ-NSHDSACASA-N -1 1 369.399 2.644 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CCC2CCCCC2)c([N+](=O)[O-])n1 ZINC000611107119 520988136 /nfs/dbraw/zinc/98/81/36/520988136.db2.gz CPTIYMPYJJMMIP-GFCCVEGCSA-N -1 1 358.464 2.839 20 5 FFBDMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000611376674 521125898 /nfs/dbraw/zinc/12/58/98/521125898.db2.gz YJGXSVAYAJAOSD-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc3N2)s1 ZINC000593729927 521180187 /nfs/dbraw/zinc/18/01/87/521180187.db2.gz JYCAXQZOPKQUBQ-GFCCVEGCSA-N -1 1 367.452 2.752 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593889738 521276766 /nfs/dbraw/zinc/27/67/66/521276766.db2.gz VKLFNAXLXLNSJS-XIRDDKMYSA-N -1 1 369.377 2.830 20 5 FFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619499988 521599904 /nfs/dbraw/zinc/59/99/04/521599904.db2.gz RMJDLJNDGZFSPC-PRHODGIISA-N -1 1 370.349 2.859 20 5 FFBDMM COc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000737111449 598954824 /nfs/dbraw/zinc/95/48/24/598954824.db2.gz NBADUXMZAJEVFM-UHFFFAOYSA-N -1 1 365.309 2.519 20 5 FFBDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2c(F)cccc2[N+](=O)[O-])n1 ZINC000737470715 598733916 /nfs/dbraw/zinc/73/39/16/598733916.db2.gz KYOXBFPMJFMTNK-UHFFFAOYSA-N -1 1 361.362 2.613 20 5 FFBDMM Cn1cc(CNCc2ccc(C(=O)[O-])o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739035048 600525110 /nfs/dbraw/zinc/52/51/10/600525110.db2.gz ULQVFDVSHWHLRF-UHFFFAOYSA-N -1 1 356.338 2.576 20 5 FFBDMM CN(C)Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000830619614 601225161 /nfs/dbraw/zinc/22/51/61/601225161.db2.gz GKVXIJHRHTUPEJ-UHFFFAOYSA-N -1 1 361.329 2.746 20 5 FFBDMM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833413396 605716905 /nfs/dbraw/zinc/71/69/05/605716905.db2.gz MQZKDXSMTFDSNA-HNNXBMFYSA-N -1 1 358.350 2.882 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(NC2CCCC2)nc1 ZINC000823624556 606707307 /nfs/dbraw/zinc/70/73/07/606707307.db2.gz CLKHOGLQNBPNSR-UHFFFAOYSA-N -1 1 367.373 2.663 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(NC2CCCC2)nc1 ZINC000823624556 606707310 /nfs/dbraw/zinc/70/73/10/606707310.db2.gz CLKHOGLQNBPNSR-UHFFFAOYSA-N -1 1 367.373 2.663 20 5 FFBDMM C[C@]1(c2ccccc2)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820636605 606710313 /nfs/dbraw/zinc/71/03/13/606710313.db2.gz UYWNFOLBMZPZNV-SFHVURJKSA-N -1 1 365.397 2.728 20 5 FFBDMM C[C@]1(c2ccccc2)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820636605 606710314 /nfs/dbraw/zinc/71/03/14/606710314.db2.gz UYWNFOLBMZPZNV-SFHVURJKSA-N -1 1 365.397 2.728 20 5 FFBDMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820668458 606711629 /nfs/dbraw/zinc/71/16/29/606711629.db2.gz SSWAJNBMHKNYTB-ZYHUDNBSSA-N -1 1 369.360 2.691 20 5 FFBDMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820668458 606711630 /nfs/dbraw/zinc/71/16/30/606711630.db2.gz SSWAJNBMHKNYTB-ZYHUDNBSSA-N -1 1 369.360 2.691 20 5 FFBDMM Cc1ccc(SCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822270907 607164999 /nfs/dbraw/zinc/16/49/99/607164999.db2.gz CICVHCKWTXKCBT-UHFFFAOYSA-N -1 1 357.399 2.683 20 5 FFBDMM Cc1ccc(SCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822270907 607165000 /nfs/dbraw/zinc/16/50/00/607165000.db2.gz CICVHCKWTXKCBT-UHFFFAOYSA-N -1 1 357.399 2.683 20 5 FFBDMM C[C@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000824832752 608411693 /nfs/dbraw/zinc/41/16/93/608411693.db2.gz VUUZIGXQLDBFJX-GOSISDBHSA-N -1 1 365.397 2.876 20 5 FFBDMM C[C@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000824832752 608411694 /nfs/dbraw/zinc/41/16/94/608411694.db2.gz VUUZIGXQLDBFJX-GOSISDBHSA-N -1 1 365.397 2.876 20 5 FFBDMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000743454302 735299023 /nfs/dbraw/zinc/29/90/23/735299023.db2.gz UQGLBUNMYYRQPY-JTQLQIEISA-N -1 1 362.773 2.675 20 5 FFBDMM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000112001497 728540395 /nfs/dbraw/zinc/54/03/95/728540395.db2.gz PHVIEMRXPHYYHH-UHFFFAOYSA-N -1 1 370.333 2.919 20 5 FFBDMM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194346318 729507713 /nfs/dbraw/zinc/50/77/13/729507713.db2.gz NPHBPLXWPWXNTG-YPMHNXCESA-N -1 1 360.407 2.608 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000194347640 729507919 /nfs/dbraw/zinc/50/79/19/729507919.db2.gz ITUZNUQQICBDOW-UHFFFAOYSA-N -1 1 368.361 2.883 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000856748911 730354137 /nfs/dbraw/zinc/35/41/37/730354137.db2.gz ACKRHIIVXSCXAQ-ZETCQYMHSA-N -1 1 357.190 2.596 20 5 FFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000859322534 730450160 /nfs/dbraw/zinc/45/01/60/730450160.db2.gz CQVVSEGYOPUBMX-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000783025639 738773827 /nfs/dbraw/zinc/77/38/27/738773827.db2.gz RGSZCQJXQDOMCV-SECBINFHSA-N -1 1 370.408 2.946 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000736634219 734991215 /nfs/dbraw/zinc/99/12/15/734991215.db2.gz FNJXILGPTJZTMO-CQSZACIVSA-N -1 1 353.375 2.805 20 5 FFBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819183 741347636 /nfs/dbraw/zinc/34/76/36/741347636.db2.gz WSFPSMVFJBMBED-ZETCQYMHSA-N -1 1 356.828 2.807 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000921619119 738014439 /nfs/dbraw/zinc/01/44/39/738014439.db2.gz MBVXSKYNQXARDD-POYBYMJQSA-N -1 1 358.725 2.725 20 5 FFBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777972080 738337295 /nfs/dbraw/zinc/33/72/95/738337295.db2.gz PXYPMAWGPRPEDQ-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000786971461 739093851 /nfs/dbraw/zinc/09/38/51/739093851.db2.gz AKHRUVDCCSLCGS-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000814978783 741878133 /nfs/dbraw/zinc/87/81/33/741878133.db2.gz WACIUGNUVYUWKJ-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)(C)O ZINC000815081794 741897858 /nfs/dbraw/zinc/89/78/58/741897858.db2.gz OTTJEXVSHRZALS-LLVKDONJSA-N -1 1 371.242 2.729 20 5 FFBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828381194 745061279 /nfs/dbraw/zinc/06/12/79/745061279.db2.gz LYJHZBIWQMLGPY-RCOVLWMOSA-N -1 1 354.812 2.560 20 5 FFBDMM COC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830715069 745415236 /nfs/dbraw/zinc/41/52/36/745415236.db2.gz UTMKNOKGGFRKPS-UHFFFAOYSA-N -1 1 357.215 2.605 20 5 FFBDMM CS[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830929936 745452538 /nfs/dbraw/zinc/45/25/38/745452538.db2.gz XLURRMASKCLBIX-ZCFIWIBFSA-N -1 1 359.256 2.931 20 5 FFBDMM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000831823472 745589861 /nfs/dbraw/zinc/58/98/61/745589861.db2.gz VWQQZXPTHXINCO-CABZTGNLSA-N -1 1 350.824 2.588 20 5 FFBDMM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000841564104 747402631 /nfs/dbraw/zinc/40/26/31/747402631.db2.gz LQSIBZFHZZREHJ-QMMMGPOBSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1nnc([C@@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848587370 748967140 /nfs/dbraw/zinc/96/71/40/748967140.db2.gz GJCRKAQYKMRSKQ-SSDOTTSWSA-N -1 1 358.326 2.604 20 5 FFBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000849460481 749165070 /nfs/dbraw/zinc/16/50/70/749165070.db2.gz LYRCWYFDGUMJRV-BDAKNGLRSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000015243693 845029999 /nfs/dbraw/zinc/02/99/99/845029999.db2.gz PTWUGQBZXHXCBP-UHFFFAOYSA-N -1 1 366.355 2.503 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000047671077 845149017 /nfs/dbraw/zinc/14/90/17/845149017.db2.gz FPAWKPRAWXOKGN-UHFFFAOYSA-N -1 1 367.383 2.822 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000057019617 845362043 /nfs/dbraw/zinc/36/20/43/845362043.db2.gz NGETVHMZTCIYSN-CYBMUJFWSA-N -1 1 354.334 2.839 20 5 FFBDMM O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([O-])cc1F ZINC000773574182 1013687182 /nfs/dbraw/zinc/68/71/82/1013687182.db2.gz AXEIQTJKYUODSJ-UHFFFAOYSA-N -1 1 359.269 2.847 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c1C ZINC000130467247 975727918 /nfs/dbraw/zinc/72/79/18/975727918.db2.gz SWPHJZNODBVLSM-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM C[C@@H](c1ccccc1)N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000910375179 981920774 /nfs/dbraw/zinc/92/07/74/981920774.db2.gz ZJBRSHZWVRTKQB-ZDUSSCGKSA-N -1 1 356.382 2.571 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(C(C)(C)OC)ns1 ZINC001132004953 994656350 /nfs/dbraw/zinc/65/63/50/994656350.db2.gz BRTFAOJHVRUJJG-UHFFFAOYSA-N -1 1 352.372 2.589 20 5 FFBDMM COc1cc(CNc2cnc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1O ZINC001599418092 997545219 /nfs/dbraw/zinc/54/52/19/997545219.db2.gz CDARKXGRZYNTQQ-UHFFFAOYSA-N -1 1 353.718 2.668 20 5 FFBDMM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769047955 1000413714 /nfs/dbraw/zinc/41/37/14/1000413714.db2.gz QITCKPOJHJDQHN-NSHDSACASA-N -1 1 372.333 2.687 20 5 FFBDMM CC(C)(C)OC(=O)c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1[N+](=O)[O-] ZINC001170233308 1003062352 /nfs/dbraw/zinc/06/23/52/1003062352.db2.gz NEHMBERNICWRDN-UHFFFAOYSA-N -1 1 372.341 2.666 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001196013088 1003635097 /nfs/dbraw/zinc/63/50/97/1003635097.db2.gz ZJOPTTZXWXGBQX-KGLIPLIRSA-N -1 1 364.398 2.891 20 5 FFBDMM CCCn1c2ccccc2n(CC)c1=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816346632 1007010285 /nfs/dbraw/zinc/01/02/85/1007010285.db2.gz YRHIYMRREQZKAZ-UHFFFAOYSA-N -1 1 369.381 2.623 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1[N+](=O)[O-] ZINC000796254273 1011527529 /nfs/dbraw/zinc/52/75/29/1011527529.db2.gz FZAIIBOJGSDMMN-UHFFFAOYSA-N -1 1 373.321 2.610 20 5 FFBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C)C1 ZINC000780075295 1019594349 /nfs/dbraw/zinc/59/43/49/1019594349.db2.gz JPZUPIDZQSUINL-WBMJQRKESA-N -1 1 364.398 2.740 20 5 FFBDMM CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075186 1019596509 /nfs/dbraw/zinc/59/65/09/1019596509.db2.gz JKIJAOCCZQQOCE-INIZCTEOSA-N -1 1 359.334 2.632 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000780077523 1019637398 /nfs/dbraw/zinc/63/73/98/1019637398.db2.gz ZSQXXCYIXGYXBB-CENBSLRLSA-N -1 1 364.398 2.787 20 5 FFBDMM O=C(NCc1cnc(-c2ccccc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001116805155 1021426288 /nfs/dbraw/zinc/42/62/88/1021426288.db2.gz CSJCXSKKPUVXHI-UHFFFAOYSA-N -1 1 356.363 2.749 20 5 FFBDMM Cc1cc(F)cc(C(=O)NCCc2c(F)cc([O-])cc2F)c1[N+](=O)[O-] ZINC001156713791 1029316506 /nfs/dbraw/zinc/31/65/06/1029316506.db2.gz DMKIJJGHWUQHNH-UHFFFAOYSA-N -1 1 354.284 2.999 20 5 FFBDMM O=C(OCc1ccc(OCC(F)(F)F)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784212669 1030513627 /nfs/dbraw/zinc/51/36/27/1030513627.db2.gz CDQDEDXLUNHLFA-UHFFFAOYSA-N -1 1 372.255 2.994 20 5 FFBDMM O=C([N-]C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC001166894379 1030567431 /nfs/dbraw/zinc/56/74/31/1030567431.db2.gz PPNHOCCVLATJTI-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184391 1034562347 /nfs/dbraw/zinc/56/23/47/1034562347.db2.gz DWTDPOMUEHKROU-NSHDSACASA-N -1 1 355.354 2.730 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ccncc1F ZINC001226309759 1034625390 /nfs/dbraw/zinc/62/53/90/1034625390.db2.gz IXVUPBNUTKAMLD-QMMMGPOBSA-N -1 1 351.290 2.546 20 5 FFBDMM C=CC(=O)OC[C@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306150 1035501516 /nfs/dbraw/zinc/50/15/16/1035501516.db2.gz GKZCJQIQYWUVQO-JTQLQIEISA-N -1 1 356.330 2.854 20 5 FFBDMM COC(=O)c1n[n-]c(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])n1 ZINC001228313200 1036045626 /nfs/dbraw/zinc/04/56/26/1036045626.db2.gz GIYPESFEQCZNEG-CQSZACIVSA-N -1 1 354.322 2.668 20 5 FFBDMM COC(=O)c1nc(O[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])n[n-]1 ZINC001228313200 1036045647 /nfs/dbraw/zinc/04/56/47/1036045647.db2.gz GIYPESFEQCZNEG-CQSZACIVSA-N -1 1 354.322 2.668 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC(=O)C1 ZINC001229398163 1036651832 /nfs/dbraw/zinc/65/18/32/1036651832.db2.gz QXHVPTANXVABNB-ZDUSSCGKSA-N -1 1 366.370 2.648 20 5 FFBDMM C[C@@H](CN1CCOCC1)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518792 1036717883 /nfs/dbraw/zinc/71/78/83/1036717883.db2.gz XNNCIFIYCMKMEF-ZDUSSCGKSA-N -1 1 355.390 2.751 20 5 FFBDMM Cc1cc([O-])c(OC[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001229751610 1036871803 /nfs/dbraw/zinc/87/18/03/1036871803.db2.gz WPBOGRQTBLHANW-MRXNPFEDSA-N -1 1 358.394 2.889 20 5 FFBDMM C[C@H]1COCC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234127802 1036932538 /nfs/dbraw/zinc/93/25/38/1036932538.db2.gz IPGVJVJEQBPXCC-ZANVPECISA-N -1 1 358.346 2.867 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@H]4CCCO4)cc3c(=O)c12 ZINC001234802628 1037185031 /nfs/dbraw/zinc/18/50/31/1037185031.db2.gz ZRRIIDUITCQZEC-LLVKDONJSA-N -1 1 358.346 2.924 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C[C@@H](C(=O)OCc3ccccc3)C2)n1 ZINC001231263571 1037515564 /nfs/dbraw/zinc/51/55/64/1037515564.db2.gz LHXIMANPPSCQRA-OKILXGFUSA-N -1 1 358.350 2.905 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2ccc3nnc(C4CCOCC4)n3c2)ccc1[O-] ZINC001210396397 1039522118 /nfs/dbraw/zinc/52/21/18/1039522118.db2.gz QTJJLJNLWVUSKF-UHFFFAOYSA-N -1 1 355.354 2.981 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001211034876 1039915593 /nfs/dbraw/zinc/91/55/93/1039915593.db2.gz DCDYHTOEAJPMSD-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM COC(=O)c1nc(Br)cnc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214165613 1041285632 /nfs/dbraw/zinc/28/56/32/1041285632.db2.gz ZFVDAKVGZLUDMK-UHFFFAOYSA-N -1 1 367.159 2.986 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOC2(CCC2)C1 ZINC001262076041 1041539261 /nfs/dbraw/zinc/53/92/61/1041539261.db2.gz JQHRAHRBPNELDM-ZDUSSCGKSA-N -1 1 360.457 2.674 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)n1 ZINC001264781910 1042822574 /nfs/dbraw/zinc/82/25/74/1042822574.db2.gz ULCLYTNAXICNBK-UHFFFAOYSA-N -1 1 358.745 2.989 20 5 FFBDMM CC(=O)CCCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309625475 1043458269 /nfs/dbraw/zinc/45/82/69/1043458269.db2.gz JISJHVOWZUMKLG-UHFFFAOYSA-N -1 1 360.407 2.860 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC001309715501 1043493594 /nfs/dbraw/zinc/49/35/94/1043493594.db2.gz CLPDLPRXFNGFGG-CYBMUJFWSA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCSC2)cc1Cl ZINC001309765547 1043515350 /nfs/dbraw/zinc/51/53/50/1043515350.db2.gz QSWUITDZUJDTOH-MRVPVSSYSA-N -1 1 368.839 2.809 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCOc1ccccc1 ZINC001317939889 1045175848 /nfs/dbraw/zinc/17/58/48/1045175848.db2.gz VDOZMVUPQGLTMW-UHFFFAOYSA-N -1 1 368.386 2.871 20 5 FFBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001322326460 1046044383 /nfs/dbraw/zinc/04/43/83/1046044383.db2.gz RFKGJFUNVJYWQM-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC001475391979 1048278336 /nfs/dbraw/zinc/27/83/36/1048278336.db2.gz VDOKMUDLCQIQAN-ZUZCIYMTSA-N -1 1 360.407 2.524 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329372858 1048690282 /nfs/dbraw/zinc/69/02/82/1048690282.db2.gz XXGVWXXDSPGLPI-BBBLOLIVSA-N -1 1 366.773 2.960 20 5 FFBDMM O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306895306 1052214223 /nfs/dbraw/zinc/21/42/23/1052214223.db2.gz UYQAWDKSMRMBSP-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCC(F)F ZINC001335148373 1053232231 /nfs/dbraw/zinc/23/22/31/1053232231.db2.gz BVEFOLIJQGNSFM-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM CCOC(=O)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)n[n-]1 ZINC001458478363 1060599784 /nfs/dbraw/zinc/59/97/84/1060599784.db2.gz YSSDCFFHHPTNLC-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1nnc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)[n-]1 ZINC001458478363 1060599799 /nfs/dbraw/zinc/59/97/99/1060599799.db2.gz YSSDCFFHHPTNLC-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)n1 ZINC001458478363 1060599812 /nfs/dbraw/zinc/59/98/12/1060599812.db2.gz YSSDCFFHHPTNLC-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC2(C)CCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC001475397741 1061075053 /nfs/dbraw/zinc/07/50/53/1061075053.db2.gz ZMKMGNMPIFZBOZ-UHFFFAOYSA-N -1 1 358.464 2.696 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC001463915471 1062330351 /nfs/dbraw/zinc/33/03/51/1062330351.db2.gz RAWYUCZKCVHONQ-ZDUSSCGKSA-N -1 1 368.798 2.798 20 5 FFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OCC ZINC001464151821 1062452258 /nfs/dbraw/zinc/45/22/58/1062452258.db2.gz KEJJZHTXJPVEQY-VIFPVBQESA-N -1 1 368.814 2.871 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)cc1F ZINC001464207149 1062482522 /nfs/dbraw/zinc/48/25/22/1062482522.db2.gz QTLYWUBCWOIFSL-NSHDSACASA-N -1 1 353.375 2.519 20 5 FFBDMM CCOc1cc(C(=O)[N-]c2ccnc(F)c2F)c([N+](=O)[O-])cc1OC ZINC001533333921 1063278438 /nfs/dbraw/zinc/27/84/38/1063278438.db2.gz KBTMUDJPNXREIB-UHFFFAOYSA-N -1 1 353.281 2.928 20 5 FFBDMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001472545292 1065093981 /nfs/dbraw/zinc/09/39/81/1065093981.db2.gz ANMWIEDIIHKZAM-UHFFFAOYSA-N -1 1 373.756 2.846 20 5 FFBDMM COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC001472580192 1065101583 /nfs/dbraw/zinc/10/15/83/1065101583.db2.gz YAOAASNEJIXERP-UHFFFAOYSA-N -1 1 351.746 2.630 20 5 FFBDMM CCOc1ccccc1CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001578404094 1078469896 /nfs/dbraw/zinc/46/98/96/1078469896.db2.gz NYQOPTDVEPESJB-UHFFFAOYSA-N -1 1 360.399 2.890 20 5 FFBDMM CCOc1ccccc1CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001578404094 1078469900 /nfs/dbraw/zinc/46/99/00/1078469900.db2.gz NYQOPTDVEPESJB-UHFFFAOYSA-N -1 1 360.399 2.890 20 5 FFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC001580308410 1078784794 /nfs/dbraw/zinc/78/47/94/1078784794.db2.gz LMVMRMDHCQDWBP-SECBINFHSA-N -1 1 352.358 2.615 20 5 FFBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC001580308410 1078784797 /nfs/dbraw/zinc/78/47/97/1078784797.db2.gz LMVMRMDHCQDWBP-SECBINFHSA-N -1 1 352.358 2.615 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1ccc(Cl)nc1 ZINC001582804984 1079111614 /nfs/dbraw/zinc/11/16/14/1079111614.db2.gz UMVZQYZCOSGFSZ-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1ccc(Cl)nc1 ZINC001582804984 1079111615 /nfs/dbraw/zinc/11/16/15/1079111615.db2.gz UMVZQYZCOSGFSZ-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)cc1F ZINC001561134521 1076337920 /nfs/dbraw/zinc/33/79/20/1076337920.db2.gz OTSZLSCDNKKNBK-IAQYHMDHSA-N -1 1 374.434 2.916 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H](C)O1 ZINC001561827342 1076429435 /nfs/dbraw/zinc/42/94/35/1076429435.db2.gz HKISZKLIVPKYLZ-BHNWBGBOSA-N -1 1 369.226 2.746 20 5 FFBDMM CCSc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC001561871840 1076437349 /nfs/dbraw/zinc/43/73/49/1076437349.db2.gz KOMRGZHDPIGQMI-UHFFFAOYSA-N -1 1 353.425 2.580 20 5 FFBDMM C[C@@H](CC(N)=O)c1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001574573395 1078022984 /nfs/dbraw/zinc/02/29/84/1078022984.db2.gz KKTRJSVPZJPPDH-QMMMGPOBSA-N -1 1 373.398 2.559 20 5 FFBDMM C[C@@H](CC(N)=O)c1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001574573395 1078022987 /nfs/dbraw/zinc/02/29/87/1078022987.db2.gz KKTRJSVPZJPPDH-QMMMGPOBSA-N -1 1 373.398 2.559 20 5 FFBDMM CCCc1nnc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 ZINC000026830744 249343099 /nfs/dbraw/zinc/34/30/99/249343099.db2.gz SSAWJTSINYWXIB-UHFFFAOYSA-N -1 1 352.372 2.668 20 5 FFBDMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000368889469 512121578 /nfs/dbraw/zinc/12/15/78/512121578.db2.gz QJWAMHDKXYMUIN-CQSZACIVSA-N -1 1 373.365 2.690 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000272703923 252107910 /nfs/dbraw/zinc/10/79/10/252107910.db2.gz SYNLPYXUEKPPLQ-UHFFFAOYSA-N -1 1 373.348 2.542 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000277731577 256231963 /nfs/dbraw/zinc/23/19/63/256231963.db2.gz OEECLZXBZUSMLH-UHFFFAOYSA-N -1 1 363.320 2.993 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CCOCC2)c(Cl)cc1Cl ZINC000289375562 257277343 /nfs/dbraw/zinc/27/73/43/257277343.db2.gz MXPZUVKLGAKABQ-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM COCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289145908 257260510 /nfs/dbraw/zinc/26/05/10/257260510.db2.gz MRJYZOZNWVJCLT-UHFFFAOYSA-N -1 1 357.215 2.607 20 5 FFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290865642 257361733 /nfs/dbraw/zinc/36/17/33/257361733.db2.gz XQHPOPQAXZYOAL-QMMMGPOBSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1[N+](=O)[O-] ZINC000032087768 506230285 /nfs/dbraw/zinc/23/02/85/506230285.db2.gz HYJSYLMBIKRHIS-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1C ZINC000066001552 506409915 /nfs/dbraw/zinc/40/99/15/506409915.db2.gz OOZNGHOUEIRVKN-UHFFFAOYSA-N -1 1 369.468 2.770 20 5 FFBDMM COc1cc(C(=O)[N-]c2nnc(C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000010962125 506760312 /nfs/dbraw/zinc/76/03/12/506760312.db2.gz VZUSAPHENMMYJU-UHFFFAOYSA-N -1 1 360.298 2.617 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000045712569 507005475 /nfs/dbraw/zinc/00/54/75/507005475.db2.gz FBEGPNDFQAIIPB-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000031555920 507820141 /nfs/dbraw/zinc/82/01/41/507820141.db2.gz ZEAGSUXARIEWCX-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)ccc1[N+](=O)[O-] ZINC000078536009 507881188 /nfs/dbraw/zinc/88/11/88/507881188.db2.gz CIQUISRZEAJFAU-UHFFFAOYSA-N -1 1 361.427 2.714 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(OC(F)F)c1 ZINC000122931818 508609315 /nfs/dbraw/zinc/60/93/15/508609315.db2.gz CLOFQEXBOKMMIA-MRVPVSSYSA-N -1 1 353.281 2.788 20 5 FFBDMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000158773018 508751715 /nfs/dbraw/zinc/75/17/15/508751715.db2.gz HWIWQKANVSXSGK-QMMMGPOBSA-N -1 1 373.818 2.935 20 5 FFBDMM COc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000119561603 508819164 /nfs/dbraw/zinc/81/91/64/508819164.db2.gz DSGMWWGDFHLYKM-UHFFFAOYSA-N -1 1 370.814 2.778 20 5 FFBDMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159894068 508907342 /nfs/dbraw/zinc/90/73/42/508907342.db2.gz SZNFSXYXOFMZGI-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000132386269 509024750 /nfs/dbraw/zinc/02/47/50/509024750.db2.gz FCWWRGKBVKTXQJ-GFCCVEGCSA-N -1 1 373.340 2.570 20 5 FFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000133191900 509129774 /nfs/dbraw/zinc/12/97/74/509129774.db2.gz NBZCQWVRVKMEGO-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000185860081 509390139 /nfs/dbraw/zinc/39/01/39/509390139.db2.gz PSERODCIWVOHNK-LLVKDONJSA-N -1 1 362.411 2.864 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000186278183 509618279 /nfs/dbraw/zinc/61/82/79/509618279.db2.gz VKSUNXHVZFHSEL-UHFFFAOYSA-N -1 1 362.835 2.876 20 5 FFBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)s1 ZINC000173488793 509631774 /nfs/dbraw/zinc/63/17/74/509631774.db2.gz JUHOIIONZMIKFP-ZDUSSCGKSA-N -1 1 371.415 2.928 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000193679918 510016816 /nfs/dbraw/zinc/01/68/16/510016816.db2.gz FKVVSTNQELHULH-INIZCTEOSA-N -1 1 371.393 2.559 20 5 FFBDMM O=C(NCC1(CCOCc2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194021527 510178901 /nfs/dbraw/zinc/17/89/01/510178901.db2.gz MENFTNBXSHZDQT-UHFFFAOYSA-N -1 1 371.393 2.812 20 5 FFBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)c1 ZINC000178112067 510439761 /nfs/dbraw/zinc/43/97/61/510439761.db2.gz XDWDTNLECMTXPE-UHFFFAOYSA-N -1 1 364.427 2.810 20 5 FFBDMM O=C1CCCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2N1 ZINC000194628144 510452710 /nfs/dbraw/zinc/45/27/10/510452710.db2.gz QKCCMHSVXYSTRP-UHFFFAOYSA-N -1 1 361.379 2.670 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1[N+](=O)[O-] ZINC000191780439 510827545 /nfs/dbraw/zinc/82/75/45/510827545.db2.gz JNMZYYPWBTYRHZ-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000270553189 510905268 /nfs/dbraw/zinc/90/52/68/510905268.db2.gz GTQYUONOZWTXDQ-MRVPVSSYSA-N -1 1 373.822 2.529 20 5 FFBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000270553189 510905274 /nfs/dbraw/zinc/90/52/74/510905274.db2.gz GTQYUONOZWTXDQ-MRVPVSSYSA-N -1 1 373.822 2.529 20 5 FFBDMM O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000282498754 511001472 /nfs/dbraw/zinc/00/14/72/511001472.db2.gz QRTDUHUYWXGGCL-UHFFFAOYSA-N -1 1 368.752 2.804 20 5 FFBDMM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000365220139 511323591 /nfs/dbraw/zinc/32/35/91/511323591.db2.gz LWZUGBPUDQQPQL-ABAIWWIYSA-N -1 1 357.366 2.927 20 5 FFBDMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC3 ZINC000365658547 511586438 /nfs/dbraw/zinc/58/64/38/511586438.db2.gz DUTLNAAPABMWPY-UHFFFAOYSA-N -1 1 352.350 2.684 20 5 FFBDMM COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000303058544 511725633 /nfs/dbraw/zinc/72/56/33/511725633.db2.gz ZSHPRTZTIBSMKD-UHFFFAOYSA-N -1 1 371.393 2.946 20 5 FFBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000326588991 511859826 /nfs/dbraw/zinc/85/98/26/511859826.db2.gz COAUCUIRMJQGIX-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000375667448 512445150 /nfs/dbraw/zinc/44/51/50/512445150.db2.gz WTHYLRFATBIBNQ-UHFFFAOYSA-N -1 1 365.386 2.529 20 5 FFBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000436154116 513777769 /nfs/dbraw/zinc/77/77/69/513777769.db2.gz MWMCQOSOQCOZQU-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000436182533 513787388 /nfs/dbraw/zinc/78/73/88/513787388.db2.gz UPHRLGFVYOJDBR-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000484275510 514613362 /nfs/dbraw/zinc/61/33/62/514613362.db2.gz MBEVWSCJUDHWLY-UHFFFAOYSA-N -1 1 365.349 2.501 20 5 FFBDMM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000484278696 514615883 /nfs/dbraw/zinc/61/58/83/514615883.db2.gz JAODGPOUGFBUET-UHFFFAOYSA-N -1 1 370.287 2.776 20 5 FFBDMM Cc1sc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000466963725 514842230 /nfs/dbraw/zinc/84/22/30/514842230.db2.gz LGCSDDQYMRCAQA-UHFFFAOYSA-N -1 1 365.396 2.551 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000476384691 515027633 /nfs/dbraw/zinc/02/76/33/515027633.db2.gz COHMGGWNZMVBSY-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000480707884 515052505 /nfs/dbraw/zinc/05/25/05/515052505.db2.gz KTPKPHFWTNITCS-ZDUSSCGKSA-N -1 1 368.411 2.861 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000499297958 515273261 /nfs/dbraw/zinc/27/32/61/515273261.db2.gz BSAYXPSSYZKDFG-UHFFFAOYSA-N -1 1 356.787 2.938 20 5 FFBDMM COc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000473252495 515550262 /nfs/dbraw/zinc/55/02/62/515550262.db2.gz CTJAAVCZFCOTAQ-UHFFFAOYSA-N -1 1 350.758 2.935 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)s1 ZINC000463864026 515647262 /nfs/dbraw/zinc/64/72/62/515647262.db2.gz IYYAQBVKFVBLPE-UHFFFAOYSA-N -1 1 364.408 2.525 20 5 FFBDMM Nc1cccc([N+](=O)[O-])c1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000500355721 515676423 /nfs/dbraw/zinc/67/64/23/515676423.db2.gz DZAJFTLSJDYUII-UHFFFAOYSA-N -1 1 363.786 2.956 20 5 FFBDMM COc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1[N+](=O)[O-] ZINC000511248274 515842501 /nfs/dbraw/zinc/84/25/01/515842501.db2.gz QYBRZZAUJGDLKD-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000547934077 516641842 /nfs/dbraw/zinc/64/18/42/516641842.db2.gz BRPKJDYLWSUEST-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000548224691 516836112 /nfs/dbraw/zinc/83/61/12/516836112.db2.gz AZJIBVAIURYFCT-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)ccc1C ZINC000536698675 516897904 /nfs/dbraw/zinc/89/79/04/516897904.db2.gz JSLFZZXMJHTANE-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000536703376 516900747 /nfs/dbraw/zinc/90/07/47/516900747.db2.gz VFWRDKRZTBRXQD-UHFFFAOYSA-N -1 1 366.395 2.733 20 5 FFBDMM O=C([O-])c1cc(NCC2(N3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000551867704 516917109 /nfs/dbraw/zinc/91/71/09/516917109.db2.gz URYDYDNEZGONPF-UHFFFAOYSA-N -1 1 363.414 2.740 20 5 FFBDMM CN(C(=O)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000555500135 516945929 /nfs/dbraw/zinc/94/59/29/516945929.db2.gz DPGKMUMZVSDPBY-CQSZACIVSA-N -1 1 355.394 2.785 20 5 FFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1-n1nnnc1C(C)C ZINC000541514931 517088931 /nfs/dbraw/zinc/08/89/31/517088931.db2.gz ZPINXBDHPQYOMI-UHFFFAOYSA-N -1 1 355.358 2.583 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000562465982 517126706 /nfs/dbraw/zinc/12/67/06/517126706.db2.gz PZUAUCVPCFSRFH-JOYOIKCWSA-N -1 1 371.777 2.617 20 5 FFBDMM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532776017 517139877 /nfs/dbraw/zinc/13/98/77/517139877.db2.gz GOHGPODHFIWVFF-LBPRGKRZSA-N -1 1 367.452 2.839 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])n1 ZINC000532853826 517168696 /nfs/dbraw/zinc/16/86/96/517168696.db2.gz NUTAFGOVDQFUGX-HNNXBMFYSA-N -1 1 364.427 2.631 20 5 FFBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cc(F)cc(F)c1 ZINC000553067092 517507362 /nfs/dbraw/zinc/50/73/62/517507362.db2.gz BKVGIPMNJFXMSV-UHFFFAOYSA-N -1 1 367.308 2.561 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000581348265 518240572 /nfs/dbraw/zinc/24/05/72/518240572.db2.gz QRCLDEPRLXVRPV-JKSUJKDBSA-N -1 1 369.402 2.977 20 5 FFBDMM Cc1ccc([C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000571329826 519040391 /nfs/dbraw/zinc/04/03/91/519040391.db2.gz DKNZSXLEQFZHHF-AWEZNQCLSA-N -1 1 360.370 2.838 20 5 FFBDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]c1=O ZINC000590597501 519281056 /nfs/dbraw/zinc/28/10/56/519281056.db2.gz HRZRJQODUBGGIW-UHFFFAOYSA-N -1 1 359.363 2.546 20 5 FFBDMM COc1cc(CN2CCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000569111680 519384135 /nfs/dbraw/zinc/38/41/35/519384135.db2.gz XCPGXHZFFPEQRC-LLVKDONJSA-N -1 1 374.340 2.686 20 5 FFBDMM Cc1cc([C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000594767976 520146438 /nfs/dbraw/zinc/14/64/38/520146438.db2.gz ZDJMCRBIXODWNA-HNNXBMFYSA-N -1 1 365.386 2.867 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1[N+](=O)[O-] ZINC000592384108 520360611 /nfs/dbraw/zinc/36/06/11/520360611.db2.gz DKUREHSZJUNUFU-UHFFFAOYSA-N -1 1 361.423 2.903 20 5 FFBDMM COCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000600665866 520384797 /nfs/dbraw/zinc/38/47/97/520384797.db2.gz ZHGIBWMDYRVADJ-UHFFFAOYSA-N -1 1 366.395 2.859 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]nc1C(F)(F)F ZINC000611101872 520984879 /nfs/dbraw/zinc/98/48/79/520984879.db2.gz IIXFQBYEMIEFLD-UHFFFAOYSA-N -1 1 356.307 2.507 20 5 FFBDMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618370100 521036753 /nfs/dbraw/zinc/03/67/53/521036753.db2.gz ZZKIUWIJHZFCJO-RHSMWYFYSA-N -1 1 371.393 2.935 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593629259 521120126 /nfs/dbraw/zinc/12/01/26/521120126.db2.gz JOVVUGCIVVFHNC-AWEZNQCLSA-N -1 1 374.846 2.732 20 5 FFBDMM Cc1cc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593947781 521308791 /nfs/dbraw/zinc/30/87/91/521308791.db2.gz XMYGAAJQSCBLQE-UPJWGTAASA-N -1 1 351.403 2.511 20 5 FFBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000619868253 521911888 /nfs/dbraw/zinc/91/18/88/521911888.db2.gz FXADVLFLPVXMMD-SECBINFHSA-N -1 1 374.378 2.918 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CCCCC2)cc1N1CCCCC1 ZINC000738358122 599363226 /nfs/dbraw/zinc/36/32/26/599363226.db2.gz LFHOUKZILXHWTC-UHFFFAOYSA-N -1 1 357.418 2.756 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CCCCC2)cc1N1CCCCC1 ZINC000738358122 599363230 /nfs/dbraw/zinc/36/32/30/599363230.db2.gz LFHOUKZILXHWTC-UHFFFAOYSA-N -1 1 357.418 2.756 20 5 FFBDMM CCOCc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000825605222 607449619 /nfs/dbraw/zinc/44/96/19/607449619.db2.gz RTTFWFZWGLZXQJ-UHFFFAOYSA-N -1 1 354.370 2.924 20 5 FFBDMM CCOCc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000825605222 607449620 /nfs/dbraw/zinc/44/96/20/607449620.db2.gz RTTFWFZWGLZXQJ-UHFFFAOYSA-N -1 1 354.370 2.924 20 5 FFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000820767129 606645590 /nfs/dbraw/zinc/64/55/90/606645590.db2.gz GKTCOXQEVQFTTB-SJKOYZFVSA-N -1 1 366.381 2.741 20 5 FFBDMM CN(Cc1ccc(F)cc1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821611066 606709867 /nfs/dbraw/zinc/70/98/67/606709867.db2.gz PJATZJLQCXZXSA-UHFFFAOYSA-N -1 1 363.740 2.599 20 5 FFBDMM CN(Cc1ccc(F)cc1Cl)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821611066 606709869 /nfs/dbraw/zinc/70/98/69/606709869.db2.gz PJATZJLQCXZXSA-UHFFFAOYSA-N -1 1 363.740 2.599 20 5 FFBDMM Cc1ccc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000822232168 607164849 /nfs/dbraw/zinc/16/48/49/607164849.db2.gz VSTSYMJEOSAYJA-UHFFFAOYSA-N -1 1 363.381 2.772 20 5 FFBDMM Cc1ccc(C2=CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822232168 607164850 /nfs/dbraw/zinc/16/48/50/607164850.db2.gz VSTSYMJEOSAYJA-UHFFFAOYSA-N -1 1 363.381 2.772 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620674 607166462 /nfs/dbraw/zinc/16/64/62/607166462.db2.gz ODLCYHXEPQBWIC-YUMQZZPRSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620674 607166463 /nfs/dbraw/zinc/16/64/63/607166463.db2.gz ODLCYHXEPQBWIC-YUMQZZPRSA-N -1 1 357.296 2.703 20 5 FFBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000064467848 728150401 /nfs/dbraw/zinc/15/04/01/728150401.db2.gz ICOGIADMLOQPEJ-UHFFFAOYSA-N -1 1 367.358 2.883 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCS1 ZINC000126237187 728696587 /nfs/dbraw/zinc/69/65/87/728696587.db2.gz GMGWRVWOKORAFS-GFCCVEGCSA-N -1 1 350.849 2.812 20 5 FFBDMM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128458650 728708830 /nfs/dbraw/zinc/70/88/30/728708830.db2.gz XNLSEDSSRVHRAR-UHFFFAOYSA-N -1 1 364.770 2.712 20 5 FFBDMM COCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132322381 728724233 /nfs/dbraw/zinc/72/42/33/728724233.db2.gz QTOOAESISMGBLF-UHFFFAOYSA-N -1 1 354.359 2.990 20 5 FFBDMM O=C([O-])[C@H]1CSCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901889906 735860335 /nfs/dbraw/zinc/86/03/35/735860335.db2.gz KNNSFTLEAVNZJU-SNVBAGLBSA-N -1 1 364.345 2.863 20 5 FFBDMM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000173719723 729053027 /nfs/dbraw/zinc/05/30/27/729053027.db2.gz DXYWVSYKIBCORV-LBPRGKRZSA-N -1 1 368.386 2.788 20 5 FFBDMM CC1(c2nsc([N-]C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)n2)CC1 ZINC000862610306 730711917 /nfs/dbraw/zinc/71/19/17/730711917.db2.gz JYFBSTMDRSFADI-UHFFFAOYSA-N -1 1 362.396 2.755 20 5 FFBDMM O=C([N-]N1CCOC1=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000862702205 730719667 /nfs/dbraw/zinc/71/96/67/730719667.db2.gz BQXOMJDGRCSNML-UHFFFAOYSA-N -1 1 365.411 2.974 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000882757920 733287862 /nfs/dbraw/zinc/28/78/62/733287862.db2.gz SLJFPZQUSHWGKN-JQWIXIFHSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])[nH]n2)o1 ZINC000773278840 737887508 /nfs/dbraw/zinc/88/75/08/737887508.db2.gz FXMNUZZUULEJBF-UHFFFAOYSA-N -1 1 366.330 2.826 20 5 FFBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000773576497 737921642 /nfs/dbraw/zinc/92/16/42/737921642.db2.gz PMEOGPVICBUCLZ-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM CCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795756284 740061042 /nfs/dbraw/zinc/06/10/42/740061042.db2.gz UKIWNWBLLOYETN-UHFFFAOYSA-N -1 1 355.185 2.575 20 5 FFBDMM CSCc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000796180763 740112645 /nfs/dbraw/zinc/11/26/45/740112645.db2.gz IUBGNHPXJAFMSY-UHFFFAOYSA-N -1 1 358.466 2.998 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000800152187 740492439 /nfs/dbraw/zinc/49/24/39/740492439.db2.gz SSQYZOUSJOKGSG-UHFFFAOYSA-N -1 1 358.372 2.760 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000800157617 740493903 /nfs/dbraw/zinc/49/39/03/740493903.db2.gz PHTOUQIFRYSXEX-NSHDSACASA-N -1 1 358.828 2.755 20 5 FFBDMM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000803398088 740794248 /nfs/dbraw/zinc/79/42/48/740794248.db2.gz KPNRZGUGAHCODS-UHFFFAOYSA-N -1 1 354.221 2.844 20 5 FFBDMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cs1 ZINC000809809491 741346160 /nfs/dbraw/zinc/34/61/60/741346160.db2.gz ZVNZKRWPCREJTI-UHFFFAOYSA-N -1 1 365.795 2.631 20 5 FFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809839613 741352150 /nfs/dbraw/zinc/35/21/50/741352150.db2.gz KQURILRUDJNIEB-UHFFFAOYSA-N -1 1 368.839 2.951 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCSC2)cc1Cl ZINC000809846267 741353332 /nfs/dbraw/zinc/35/33/32/741353332.db2.gz FLOQBGOHKDMONF-MRVPVSSYSA-N -1 1 368.839 2.809 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c(Cl)cc1Cl ZINC000809844547 741353364 /nfs/dbraw/zinc/35/33/64/741353364.db2.gz ZKWGBKJVEAGLFU-OIBJUYFYSA-N -1 1 351.211 2.978 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])ccnc1-2 ZINC000813235310 741694436 /nfs/dbraw/zinc/69/44/36/741694436.db2.gz FNLHDQKQKUYYRR-UHFFFAOYSA-N -1 1 366.164 2.809 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCSCC1 ZINC000815008829 741881526 /nfs/dbraw/zinc/88/15/26/741881526.db2.gz PFQWKYUGRXHFKS-UHFFFAOYSA-N -1 1 354.812 2.561 20 5 FFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815042004 741889137 /nfs/dbraw/zinc/88/91/37/741889137.db2.gz JACKIBREKFYAGU-UHFFFAOYSA-N -1 1 368.839 2.951 20 5 FFBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OC ZINC000815048475 741890773 /nfs/dbraw/zinc/89/07/73/741890773.db2.gz NEQPGWQASDUZBN-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000818328327 742263805 /nfs/dbraw/zinc/26/38/05/742263805.db2.gz APGNGVKDITZTQX-LBPRGKRZSA-N -1 1 369.805 2.906 20 5 FFBDMM Cc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000827850842 744989987 /nfs/dbraw/zinc/98/99/87/744989987.db2.gz RCQKNWMXLNJBKX-MFKMUULPSA-N -1 1 359.348 2.792 20 5 FFBDMM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000053671157 845280833 /nfs/dbraw/zinc/28/08/33/845280833.db2.gz ILPRAUIHQVRWJI-SNVBAGLBSA-N -1 1 356.350 2.783 20 5 FFBDMM Cc1cc(C)cc([C@@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000826264692 947764168 /nfs/dbraw/zinc/76/41/68/947764168.db2.gz XCGYZIBMESJVTO-CYBMUJFWSA-N -1 1 365.397 2.781 20 5 FFBDMM Cc1cc(C)cc([C@@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000826264692 947764173 /nfs/dbraw/zinc/76/41/73/947764173.db2.gz XCGYZIBMESJVTO-CYBMUJFWSA-N -1 1 365.397 2.781 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001595012647 951266884 /nfs/dbraw/zinc/26/68/84/951266884.db2.gz PKMVZKVAIZBVFQ-LBPRGKRZSA-N -1 1 360.370 2.864 20 5 FFBDMM CN1CCN(c2cccc(F)c2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001174505681 1013243776 /nfs/dbraw/zinc/24/37/76/1013243776.db2.gz IGCKYCJQRYLDGM-UHFFFAOYSA-N -1 1 374.372 2.928 20 5 FFBDMM COc1cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263303120 966133163 /nfs/dbraw/zinc/13/31/63/966133163.db2.gz GVTUHFPBKDQNHO-KOLCDFICSA-N -1 1 374.340 2.747 20 5 FFBDMM COC(=O)[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC001234878893 987979880 /nfs/dbraw/zinc/97/98/80/987979880.db2.gz ZPURPHFQDINHHI-QMMMGPOBSA-N -1 1 374.065 2.546 20 5 FFBDMM CN1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC001598619990 993987009 /nfs/dbraw/zinc/98/70/09/993987009.db2.gz VXSBHFUTPBVTFL-GOSISDBHSA-N -1 1 369.421 2.652 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001171112573 997739943 /nfs/dbraw/zinc/73/99/43/997739943.db2.gz JWALLYONEXTPRV-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM CC(C)c1nc(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)n[nH]1 ZINC001144549872 998643920 /nfs/dbraw/zinc/64/39/20/998643920.db2.gz XPRYZIJGXVTMSG-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CC(C)c1nnc(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)[nH]1 ZINC001144549872 998643929 /nfs/dbraw/zinc/64/39/29/998643929.db2.gz XPRYZIJGXVTMSG-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769045581 1000413072 /nfs/dbraw/zinc/41/30/72/1000413072.db2.gz BYQMUEOYCIYKRX-LLVKDONJSA-N -1 1 372.333 2.687 20 5 FFBDMM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769047954 1000413889 /nfs/dbraw/zinc/41/38/89/1000413889.db2.gz QITCKPOJHJDQHN-LLVKDONJSA-N -1 1 372.333 2.687 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000805502287 1004034912 /nfs/dbraw/zinc/03/49/12/1004034912.db2.gz BVXXUBSLTAUIIO-UHFFFAOYSA-N -1 1 370.239 2.754 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c(F)cc1[N+](=O)[O-] ZINC001192905724 1004317814 /nfs/dbraw/zinc/31/78/14/1004317814.db2.gz QGNBJNJZENUURK-NSHDSACASA-N -1 1 352.334 2.612 20 5 FFBDMM COc1cnc([C@@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)[n-]c1=O ZINC001198478780 1004642715 /nfs/dbraw/zinc/64/27/15/1004642715.db2.gz JGAHUXXCCDZBJL-ZDUSSCGKSA-N -1 1 366.324 2.714 20 5 FFBDMM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001189663437 1007219411 /nfs/dbraw/zinc/21/94/11/1007219411.db2.gz MPYZSZOLJZDNRS-LLVKDONJSA-N -1 1 364.851 2.714 20 5 FFBDMM CC(C)Cc1nsc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000855706284 1007510451 /nfs/dbraw/zinc/51/04/51/1007510451.db2.gz BKJWCPLULLMTBA-UHFFFAOYSA-N -1 1 364.412 2.902 20 5 FFBDMM O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c([O-])cccc1F ZINC001177681130 1008702917 /nfs/dbraw/zinc/70/29/17/1008702917.db2.gz HHNFIXTYWUPFLY-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccnc1-2 ZINC000801704111 1019268892 /nfs/dbraw/zinc/26/88/92/1019268892.db2.gz YGSVVYIAVBYNEG-UHFFFAOYSA-N -1 1 365.271 2.521 20 5 FFBDMM O=C(O[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072274 1019503527 /nfs/dbraw/zinc/50/35/27/1019503527.db2.gz OMONFOIZDYDNEO-QGZVFWFLSA-N -1 1 370.361 2.648 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000780074054 1019566814 /nfs/dbraw/zinc/56/68/14/1019566814.db2.gz BXSVSQHTNBVYFV-UHFFFAOYSA-N -1 1 367.260 2.942 20 5 FFBDMM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075363 1019595732 /nfs/dbraw/zinc/59/57/32/1019595732.db2.gz KDIZZUXJDRXXRV-NSHDSACASA-N -1 1 372.333 2.687 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000751432600 1022830483 /nfs/dbraw/zinc/83/04/83/1022830483.db2.gz JOAWYGDAMBDRLC-CYBMUJFWSA-N -1 1 368.393 2.679 20 5 FFBDMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153864501 1028032550 /nfs/dbraw/zinc/03/25/50/1028032550.db2.gz DFRZQTBOMLMQEC-UHFFFAOYSA-N -1 1 362.305 2.634 20 5 FFBDMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001225674494 1034362820 /nfs/dbraw/zinc/36/28/20/1034362820.db2.gz IPMHQEFBOZXQQT-ZDUSSCGKSA-N -1 1 358.350 2.866 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3[n-]c(=S)nc4cnccc43)C2)nc1 ZINC001227884746 1035786341 /nfs/dbraw/zinc/78/63/41/1035786341.db2.gz IZHJZEYUQDHEQM-NSHDSACASA-N -1 1 370.394 2.648 20 5 FFBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143672 1035958376 /nfs/dbraw/zinc/95/83/76/1035958376.db2.gz PDQRKIQVZZIIFE-MNOVXSKESA-N -1 1 368.390 2.505 20 5 FFBDMM COC(=O)C1CCC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228861139 1036368134 /nfs/dbraw/zinc/36/81/34/1036368134.db2.gz CXKRISVROCCKRM-UHFFFAOYSA-N -1 1 364.276 2.825 20 5 FFBDMM Cc1nc(O[C@H](C)c2cccc(Br)n2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376309 1036637890 /nfs/dbraw/zinc/63/78/90/1036637890.db2.gz RVOPGLVXEAKYDR-ZCFIWIBFSA-N -1 1 355.148 2.696 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C(F)(F)C1 ZINC001229396834 1036649646 /nfs/dbraw/zinc/64/96/46/1036649646.db2.gz ZLVRUKYWOBNCJM-GFCCVEGCSA-N -1 1 360.313 2.934 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@H]2C1 ZINC001229395043 1036650001 /nfs/dbraw/zinc/65/00/01/1036650001.db2.gz DUTBCILXNKINAA-JKOKRWQUSA-N -1 1 350.371 2.935 20 5 FFBDMM Cc1cc([O-])c(O[C@H]2CCn3c2nc2ccccc2c3=O)cc1[N+](=O)[O-] ZINC001229754815 1036873653 /nfs/dbraw/zinc/87/36/53/1036873653.db2.gz RXFQXFOMKBSLJR-HNNXBMFYSA-N -1 1 353.334 2.843 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc3cc(F)c(N4CCOCC4)cc3[nH]2)c(O)c1 ZINC001251009296 1038896415 /nfs/dbraw/zinc/89/64/15/1038896415.db2.gz HLXNMSSRUBFHRT-UHFFFAOYSA-N -1 1 358.329 2.819 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)cc1F ZINC001211382536 1040128792 /nfs/dbraw/zinc/12/87/92/1040128792.db2.gz DJLKCTDNNRWDKB-INIZCTEOSA-N -1 1 365.386 2.867 20 5 FFBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Cl)c1 ZINC001248406633 1040260301 /nfs/dbraw/zinc/26/03/01/1040260301.db2.gz CUNNOFKLSSNDMZ-UHFFFAOYSA-N -1 1 364.789 2.865 20 5 FFBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(Cl)c1 ZINC001248407257 1040261154 /nfs/dbraw/zinc/26/11/54/1040261154.db2.gz NQOIUBCDPYYSFC-UHFFFAOYSA-N -1 1 364.789 2.865 20 5 FFBDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001309843771 1043551129 /nfs/dbraw/zinc/55/11/29/1043551129.db2.gz RMVUOMUQRFUWOS-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])cc1O)c1ccc([N+](=O)[O-])cc1 ZINC001318772570 1044866188 /nfs/dbraw/zinc/86/61/88/1044866188.db2.gz ZGKOSSDSVUSZPU-UHFFFAOYSA-N -1 1 359.334 2.710 20 5 FFBDMM O=C([N-]c1nc2ccccn2n1)c1c(Br)cccc1[N+](=O)[O-] ZINC001357607707 1055961596 /nfs/dbraw/zinc/96/15/96/1055961596.db2.gz GJHONXGPTYKKFC-UHFFFAOYSA-N -1 1 362.143 2.652 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)cc1F ZINC001475378291 1061068806 /nfs/dbraw/zinc/06/88/06/1061068806.db2.gz KPVCHGIZXLZJKT-SECBINFHSA-N -1 1 357.338 2.616 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ncc[nH]1 ZINC001475493255 1061113963 /nfs/dbraw/zinc/11/39/63/1061113963.db2.gz SRWKJUUQMKRSMR-ZCFIWIBFSA-N -1 1 365.198 2.664 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c(F)cc1[N+](=O)[O-] ZINC001475524766 1061125371 /nfs/dbraw/zinc/12/53/71/1061125371.db2.gz RGTDLCYMSGEDKK-QMMMGPOBSA-N -1 1 371.217 2.905 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncc(Cl)s1 ZINC001475645239 1061179892 /nfs/dbraw/zinc/17/98/92/1061179892.db2.gz MYPBWLUPLBXFRQ-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM C[C@@H](Cc1cccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001475775415 1061266980 /nfs/dbraw/zinc/26/69/80/1061266980.db2.gz PGVHWFJDAVGZCA-JTQLQIEISA-N -1 1 355.803 2.553 20 5 FFBDMM CC/C=C/C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001463776248 1062257165 /nfs/dbraw/zinc/25/71/65/1062257165.db2.gz NKDZHRAVHHIABU-ONEGZZNKSA-N -1 1 367.196 2.741 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[n-]1 ZINC001439226883 1063119669 /nfs/dbraw/zinc/11/96/69/1063119669.db2.gz IUEMEOSNLDSDPA-UHFFFAOYSA-N -1 1 359.338 2.781 20 5 FFBDMM O=C(NCCOc1ccc(Cl)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001468509727 1063998190 /nfs/dbraw/zinc/99/81/90/1063998190.db2.gz OWLJJXSFONGQDU-UHFFFAOYSA-N -1 1 372.164 2.811 20 5 FFBDMM COc1c(Cl)cccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001561974134 1076457544 /nfs/dbraw/zinc/45/75/44/1076457544.db2.gz DTLLUOHXLDRVTO-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001568576007 1077101710 /nfs/dbraw/zinc/10/17/10/1077101710.db2.gz WLQPGAZGAFHOIY-UHFFFAOYSA-N -1 1 364.789 2.557 20 5 FFBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001574572893 1078022753 /nfs/dbraw/zinc/02/27/53/1078022753.db2.gz CWNSQTVHUQYQPR-BMIGLBTASA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001574572893 1078022758 /nfs/dbraw/zinc/02/27/58/1078022758.db2.gz CWNSQTVHUQYQPR-BMIGLBTASA-N -1 1 372.360 2.838 20 5 FFBDMM CC(C)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001589768171 1080722388 /nfs/dbraw/zinc/72/23/88/1080722388.db2.gz NWBYQVLNZJOORS-UHFFFAOYSA-N -1 1 368.353 2.650 20 5 FFBDMM CC(C)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001589768171 1080722395 /nfs/dbraw/zinc/72/23/95/1080722395.db2.gz NWBYQVLNZJOORS-UHFFFAOYSA-N -1 1 368.353 2.650 20 5 FFBDMM C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801611 1080757556 /nfs/dbraw/zinc/75/75/56/1080757556.db2.gz OXIJDNNSDCLVCS-IONNQARKSA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801611 1080757564 /nfs/dbraw/zinc/75/75/64/1080757564.db2.gz OXIJDNNSDCLVCS-IONNQARKSA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@H](COc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589884833 1080831250 /nfs/dbraw/zinc/83/12/50/1080831250.db2.gz IOPIXRBHYKGRAZ-MRVPVSSYSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@H](COc1cccc(F)c1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589884833 1080831255 /nfs/dbraw/zinc/83/12/55/1080831255.db2.gz IOPIXRBHYKGRAZ-MRVPVSSYSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@@H](Cc1ccc(O)cc1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589899645 1080848449 /nfs/dbraw/zinc/84/84/49/1080848449.db2.gz LVZMJIPEPNFOPR-VIFPVBQESA-N -1 1 360.399 2.609 20 5 FFBDMM C[C@@H](Cc1ccc(O)cc1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589899645 1080848456 /nfs/dbraw/zinc/84/84/56/1080848456.db2.gz LVZMJIPEPNFOPR-VIFPVBQESA-N -1 1 360.399 2.609 20 5 FFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589980257 1080919241 /nfs/dbraw/zinc/91/92/41/1080919241.db2.gz JUVQYCPGJCKFRL-ZCFIWIBFSA-N -1 1 372.370 2.591 20 5 FFBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589980257 1080919247 /nfs/dbraw/zinc/91/92/47/1080919247.db2.gz JUVQYCPGJCKFRL-ZCFIWIBFSA-N -1 1 372.370 2.591 20 5 FFBDMM C[C@]1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590152560 1081053942 /nfs/dbraw/zinc/05/39/42/1081053942.db2.gz DDWYYNQBEQIWFT-SFHVURJKSA-N -1 1 350.382 2.943 20 5 FFBDMM O=C(N=c1[nH]cc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029791259 539864755 /nfs/dbraw/zinc/86/47/55/539864755.db2.gz XDLCOEADRIBEFZ-UHFFFAOYSA-N -1 1 356.363 2.583 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)[n-]1 ZINC000272616258 252081423 /nfs/dbraw/zinc/08/14/23/252081423.db2.gz HZQHBHHOZOIZBN-CQSZACIVSA-N -1 1 355.354 2.546 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276886961 256139712 /nfs/dbraw/zinc/13/97/12/256139712.db2.gz JPKKQPXZHNOZBU-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(C(F)(F)F)c1 ZINC000163401585 509372429 /nfs/dbraw/zinc/37/24/29/509372429.db2.gz AWZMDJMVHJQINP-UHFFFAOYSA-N -1 1 366.239 2.844 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000058190599 507382206 /nfs/dbraw/zinc/38/22/06/507382206.db2.gz CBZPJSOJFQINSH-UHFFFAOYSA-N -1 1 374.378 2.590 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000030530405 507809976 /nfs/dbraw/zinc/80/99/76/507809976.db2.gz MGDHUJDVNAOFLR-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CN(Cc1csc(Br)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000109093524 507938432 /nfs/dbraw/zinc/93/84/32/507938432.db2.gz PQGDSODUQXQVQE-UHFFFAOYSA-N -1 1 372.200 2.792 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000104760107 508345114 /nfs/dbraw/zinc/34/51/14/508345114.db2.gz UULRYTBZPPYSKQ-NSHDSACASA-N -1 1 359.404 2.928 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000115313369 508384404 /nfs/dbraw/zinc/38/44/04/508384404.db2.gz SYTYREYRXBHERY-QHCPKHFHSA-N -1 1 368.436 2.583 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000127207011 508415105 /nfs/dbraw/zinc/41/51/05/508415105.db2.gz BMMAIURYTNGJEB-UHFFFAOYSA-N -1 1 362.835 2.876 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115722370 508430768 /nfs/dbraw/zinc/43/07/68/508430768.db2.gz NTPAQAIJAMTWSX-UHFFFAOYSA-N -1 1 361.329 2.518 20 5 FFBDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000135610451 508631095 /nfs/dbraw/zinc/63/10/95/508631095.db2.gz UJXSDQWCYZWXLX-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000119457830 508799680 /nfs/dbraw/zinc/79/96/80/508799680.db2.gz SVZLFNASLUHHJC-UHFFFAOYSA-N -1 1 371.271 2.866 20 5 FFBDMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124263379 508806199 /nfs/dbraw/zinc/80/61/99/508806199.db2.gz UDKFYMCGDYLSPN-UHFFFAOYSA-N -1 1 364.851 2.715 20 5 FFBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000185719902 509322610 /nfs/dbraw/zinc/32/26/10/509322610.db2.gz YWBOMZCUPRKJCT-KGLIPLIRSA-N -1 1 351.403 2.751 20 5 FFBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000173227373 509465690 /nfs/dbraw/zinc/46/56/90/509465690.db2.gz MVSSEKMTTPQMPZ-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000173354234 509549300 /nfs/dbraw/zinc/54/93/00/509549300.db2.gz ZLMQAKLOFSUZMG-ZDUSSCGKSA-N -1 1 368.411 2.725 20 5 FFBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC2)s1 ZINC000173484780 509630142 /nfs/dbraw/zinc/63/01/42/509630142.db2.gz YVXNTCNGKXXTDA-NSHDSACASA-N -1 1 359.454 2.851 20 5 FFBDMM O=C([O-])C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000238169400 509829298 /nfs/dbraw/zinc/82/92/98/509829298.db2.gz PHAZGGMPHLRHCO-CQSZACIVSA-N -1 1 372.312 2.556 20 5 FFBDMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194410348 510350951 /nfs/dbraw/zinc/35/09/51/510350951.db2.gz JKRILPIBXYIGLV-BBRMVZONSA-N -1 1 357.366 2.593 20 5 FFBDMM Cc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000377061790 513104226 /nfs/dbraw/zinc/10/42/26/513104226.db2.gz NOAWTPWPNIVZIX-QGZVFWFLSA-N -1 1 364.361 2.918 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000415625551 513352809 /nfs/dbraw/zinc/35/28/09/513352809.db2.gz DOFOIJMWLFKUFZ-UHFFFAOYSA-N -1 1 362.342 2.534 20 5 FFBDMM CCOc1cc([N-]C(=O)c2conc2COC)c([N+](=O)[O-])cc1OCC ZINC000425429413 513560520 /nfs/dbraw/zinc/56/05/20/513560520.db2.gz ZCCVHNKLMHZBJC-UHFFFAOYSA-N -1 1 365.342 2.779 20 5 FFBDMM CCN1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436950131 514044960 /nfs/dbraw/zinc/04/49/60/514044960.db2.gz MGMFUZFLTBOJKN-UHFFFAOYSA-N -1 1 370.409 2.695 20 5 FFBDMM CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432207998 514126803 /nfs/dbraw/zinc/12/68/03/514126803.db2.gz LIQXMCGQQIIJAD-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444988180 514383761 /nfs/dbraw/zinc/38/37/61/514383761.db2.gz FEEISNOUDYYIDF-GDBMZVCRSA-N -1 1 357.366 2.654 20 5 FFBDMM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445139842 514426040 /nfs/dbraw/zinc/42/60/40/514426040.db2.gz RHMGDRKKQNCBEQ-ZDUSSCGKSA-N -1 1 369.299 2.989 20 5 FFBDMM CCOc1cc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)cc(Cl)c1[O-] ZINC000445419999 514476688 /nfs/dbraw/zinc/47/66/88/514476688.db2.gz UXMYKBGHGBWOSU-UHFFFAOYSA-N -1 1 365.733 2.647 20 5 FFBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000453014426 514599599 /nfs/dbraw/zinc/59/95/99/514599599.db2.gz GHPHZBKRRRPBGI-UHFFFAOYSA-N -1 1 364.427 2.810 20 5 FFBDMM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000475833312 514829514 /nfs/dbraw/zinc/82/95/14/514829514.db2.gz NULZOPXUZJAXDE-UHFFFAOYSA-N -1 1 352.343 2.860 20 5 FFBDMM COc1c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000476367302 515020353 /nfs/dbraw/zinc/02/03/53/515020353.db2.gz CYYTVERERXZWPB-UHFFFAOYSA-N -1 1 362.289 2.812 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000480895122 515128792 /nfs/dbraw/zinc/12/87/92/515128792.db2.gz HITVVFLXDHAAOH-NSHDSACASA-N -1 1 360.457 2.817 20 5 FFBDMM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000485788485 515188290 /nfs/dbraw/zinc/18/82/90/515188290.db2.gz PMHHJHQFQJJCHK-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)c1[N+](=O)[O-] ZINC000504076709 515212793 /nfs/dbraw/zinc/21/27/93/515212793.db2.gz OVWDPEQRLUZFCU-UHFFFAOYSA-N -1 1 363.337 2.817 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000490564278 515248975 /nfs/dbraw/zinc/24/89/75/515248975.db2.gz CILIVRKZMLADIN-UHFFFAOYSA-N -1 1 367.427 2.939 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000490625639 515267176 /nfs/dbraw/zinc/26/71/76/515267176.db2.gz DWMCDHOPFPLCHL-UHFFFAOYSA-N -1 1 353.400 2.549 20 5 FFBDMM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469104235 515673064 /nfs/dbraw/zinc/67/30/64/515673064.db2.gz YZTOZBICSPRWOQ-HNNXBMFYSA-N -1 1 361.423 2.929 20 5 FFBDMM CN(CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000486945776 515693736 /nfs/dbraw/zinc/69/37/36/515693736.db2.gz RHDPCYCJTULGHM-UHFFFAOYSA-N -1 1 353.382 2.611 20 5 FFBDMM C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])C1 ZINC000512011333 516115070 /nfs/dbraw/zinc/11/50/70/516115070.db2.gz RMAKKXAWKHKUNW-GFCCVEGCSA-N -1 1 356.382 2.606 20 5 FFBDMM Cn1cnc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000554226743 516331575 /nfs/dbraw/zinc/33/15/75/516331575.db2.gz HTFFFAUEZOEKEE-UHFFFAOYSA-N -1 1 353.338 2.555 20 5 FFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000551167607 516588075 /nfs/dbraw/zinc/58/80/75/516588075.db2.gz OJDGLNLKLIZAPV-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000513790263 516751908 /nfs/dbraw/zinc/75/19/08/516751908.db2.gz UXSAMLXEIZDKAJ-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(Cl)c1 ZINC000556174631 517299260 /nfs/dbraw/zinc/29/92/60/517299260.db2.gz HPLRWWSDSPJHKK-UHFFFAOYSA-N -1 1 370.696 2.791 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000530431220 517770253 /nfs/dbraw/zinc/77/02/53/517770253.db2.gz YLQWBFJFUBYIGM-OCCSQVGLSA-N -1 1 365.386 2.744 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000549915199 517778623 /nfs/dbraw/zinc/77/86/23/517778623.db2.gz RLLNROCBTVRTHF-VIFPVBQESA-N -1 1 367.330 2.633 20 5 FFBDMM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000538848004 517807135 /nfs/dbraw/zinc/80/71/35/517807135.db2.gz SVEJUKPWANZGCZ-LKFCYVNXSA-N -1 1 374.415 2.850 20 5 FFBDMM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000538848005 517807777 /nfs/dbraw/zinc/80/77/77/517807777.db2.gz SVEJUKPWANZGCZ-OTYXRUKQSA-N -1 1 374.415 2.850 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(C(F)(F)F)c1 ZINC000549986629 517813658 /nfs/dbraw/zinc/81/36/58/517813658.db2.gz CLLBQZCBZUPGNI-VHSXEESVSA-N -1 1 356.297 2.783 20 5 FFBDMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553755093 517885786 /nfs/dbraw/zinc/88/57/86/517885786.db2.gz XCOLBBBZBFHVPS-UKPHBRMFSA-N -1 1 371.393 2.777 20 5 FFBDMM COc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(Cl)cc1C(=O)N(C)C ZINC000560839742 518055730 /nfs/dbraw/zinc/05/57/30/518055730.db2.gz SWWAHZORPNCVRD-UHFFFAOYSA-N -1 1 366.761 2.539 20 5 FFBDMM COC[C@@](C)(NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000585732183 518577777 /nfs/dbraw/zinc/57/77/77/518577777.db2.gz QZVLUJZOSXOQOV-MRXNPFEDSA-N -1 1 350.396 2.903 20 5 FFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000579328433 518628809 /nfs/dbraw/zinc/62/88/09/518628809.db2.gz HQBHKSIOOWEHIQ-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000570594590 518685129 /nfs/dbraw/zinc/68/51/29/518685129.db2.gz PWXXRNHWCKVPPQ-QGZVFWFLSA-N -1 1 361.423 2.680 20 5 FFBDMM CC(C)c1nc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000579477973 518700269 /nfs/dbraw/zinc/70/02/69/518700269.db2.gz RJHREQIENIJRMB-ZETCQYMHSA-N -1 1 353.766 2.686 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000567798085 518717529 /nfs/dbraw/zinc/71/75/29/518717529.db2.gz BKQCXLWNCMBICM-UHFFFAOYSA-N -1 1 372.349 2.674 20 5 FFBDMM COc1cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000564965768 518718577 /nfs/dbraw/zinc/71/85/77/518718577.db2.gz UXVSKQAIBSLMKM-UWVGGRQHSA-N -1 1 374.340 2.890 20 5 FFBDMM O=C([O-])c1ccnc(NC[C@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000574210220 519040474 /nfs/dbraw/zinc/04/04/74/519040474.db2.gz OYIJDOBWPFCCCB-CYBMUJFWSA-N -1 1 360.370 2.920 20 5 FFBDMM COC(=O)c1ccnc([N-]c2cnn(Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000590575381 519271211 /nfs/dbraw/zinc/27/12/11/519271211.db2.gz XUMVCLJIGHQQOM-UHFFFAOYSA-N -1 1 353.338 2.765 20 5 FFBDMM CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000566510706 519527259 /nfs/dbraw/zinc/52/72/59/519527259.db2.gz YDGOKJITNQFJHO-YPMHNXCESA-N -1 1 362.304 2.678 20 5 FFBDMM C[C@@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763714 520142805 /nfs/dbraw/zinc/14/28/05/520142805.db2.gz YPHMOCNIJDCHSO-BMIGLBTASA-N -1 1 365.386 2.731 20 5 FFBDMM CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000603595400 520321862 /nfs/dbraw/zinc/32/18/62/520321862.db2.gz LBQMYBWXAYRNEM-SNVBAGLBSA-N -1 1 361.354 2.594 20 5 FFBDMM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@@H]12 ZINC000595245938 520369317 /nfs/dbraw/zinc/36/93/17/520369317.db2.gz USPOIONPXDKGLH-YWPYICTPSA-N -1 1 372.381 2.577 20 5 FFBDMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603879243 520389881 /nfs/dbraw/zinc/38/98/81/520389881.db2.gz IQAHJEJGFFNTNH-UHFFFAOYSA-N -1 1 354.322 2.708 20 5 FFBDMM CC(C)(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000609882047 520467719 /nfs/dbraw/zinc/46/77/19/520467719.db2.gz XLCAXHOIEOVUMU-UHFFFAOYSA-N -1 1 358.402 2.605 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611108726 520987982 /nfs/dbraw/zinc/98/79/82/520987982.db2.gz IQONKAMUZMCUNY-CQSZACIVSA-N -1 1 364.427 2.631 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000614483516 520994208 /nfs/dbraw/zinc/99/42/08/520994208.db2.gz CGVJLCRJNCKJEC-UHFFFAOYSA-N -1 1 370.358 2.866 20 5 FFBDMM CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000619486293 521592791 /nfs/dbraw/zinc/59/27/91/521592791.db2.gz HBPHWROUBIYXSD-UHFFFAOYSA-N -1 1 358.398 2.925 20 5 FFBDMM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619507489 521602086 /nfs/dbraw/zinc/60/20/86/521602086.db2.gz BCLKRLTXIAXDOJ-NSHDSACASA-N -1 1 356.322 2.613 20 5 FFBDMM Cc1nn(CCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(C)c1[N+](=O)[O-] ZINC000523224430 562209800 /nfs/dbraw/zinc/20/98/00/562209800.db2.gz CWVNOMONEKRRLM-UHFFFAOYSA-N -1 1 360.399 2.889 20 5 FFBDMM Cn1ccnc1[C@H](NC1CCC(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000821304824 597665072 /nfs/dbraw/zinc/66/50/72/597665072.db2.gz HDKBVLRUWNVHQF-ZBCRRDGASA-N -1 1 358.398 2.651 20 5 FFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000737262710 599305545 /nfs/dbraw/zinc/30/55/45/599305545.db2.gz FTTNPWZCYHKMOH-UHFFFAOYSA-N -1 1 361.749 2.936 20 5 FFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000737262710 599305548 /nfs/dbraw/zinc/30/55/48/599305548.db2.gz FTTNPWZCYHKMOH-UHFFFAOYSA-N -1 1 361.749 2.936 20 5 FFBDMM CN(Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000737486762 600300765 /nfs/dbraw/zinc/30/07/65/600300765.db2.gz XHOVKJGKCWCNGP-UHFFFAOYSA-N -1 1 365.367 2.505 20 5 FFBDMM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262174824 602053705 /nfs/dbraw/zinc/05/37/05/602053705.db2.gz ODWNPDMCLDZDGY-DGCLKSJQSA-N -1 1 360.370 2.625 20 5 FFBDMM COc1cc(C(C)=O)ccc1Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826177266 607543523 /nfs/dbraw/zinc/54/35/23/607543523.db2.gz AOEXADLMVQTTIY-UHFFFAOYSA-N -1 1 372.366 2.532 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000832887370 602297013 /nfs/dbraw/zinc/29/70/13/602297013.db2.gz UKKMZLSEHVENFT-UHFFFAOYSA-N -1 1 360.344 2.603 20 5 FFBDMM C[C@@H](NC(=O)[O-])C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000739013300 602424534 /nfs/dbraw/zinc/42/45/34/602424534.db2.gz DZCQYFVFLDJJGQ-CYBMUJFWSA-N -1 1 373.413 2.784 20 5 FFBDMM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000833413539 605174864 /nfs/dbraw/zinc/17/48/64/605174864.db2.gz HNYRWYSIOIUNNX-INIZCTEOSA-N -1 1 371.393 2.635 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCSc2c(F)cccc21 ZINC000823619898 607165440 /nfs/dbraw/zinc/16/54/40/607165440.db2.gz CTSCOFKCOSQDMI-LLVKDONJSA-N -1 1 373.373 2.958 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCSc2c(F)cccc21 ZINC000823619898 607165441 /nfs/dbraw/zinc/16/54/41/607165441.db2.gz CTSCOFKCOSQDMI-LLVKDONJSA-N -1 1 373.373 2.958 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2ccccc2)CC1 ZINC000823620186 607166726 /nfs/dbraw/zinc/16/67/26/607166726.db2.gz HWVGAQFMPGNICB-UHFFFAOYSA-N -1 1 351.370 2.554 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2ccccc2)CC1 ZINC000823620186 607166727 /nfs/dbraw/zinc/16/67/27/607166727.db2.gz HWVGAQFMPGNICB-UHFFFAOYSA-N -1 1 351.370 2.554 20 5 FFBDMM O=C1CCc2cc([N+](=O)[O-])c(Oc3cccc(F)c3-c3nnn[n-]3)cc2N1 ZINC000826480591 607867447 /nfs/dbraw/zinc/86/74/47/607867447.db2.gz IWOMTGYQNNOBOL-UHFFFAOYSA-N -1 1 370.300 2.591 20 5 FFBDMM O=C1CCc2cc([N+](=O)[O-])c(Oc3cccc(F)c3-c3nn[n-]n3)cc2N1 ZINC000826480591 607867448 /nfs/dbraw/zinc/86/74/48/607867448.db2.gz IWOMTGYQNNOBOL-UHFFFAOYSA-N -1 1 370.300 2.591 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1C ZINC000745977453 735455982 /nfs/dbraw/zinc/45/59/82/735455982.db2.gz RFKNPECCAHOYTN-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1C ZINC000053692446 728083098 /nfs/dbraw/zinc/08/30/98/728083098.db2.gz VMLBGEQFSIDDMM-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000071208808 728208255 /nfs/dbraw/zinc/20/82/55/728208255.db2.gz CBTCKHCBKYHIIE-WCBMZHEXSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000122872448 728652711 /nfs/dbraw/zinc/65/27/11/728652711.db2.gz INCOQYYOBHQVCZ-UHFFFAOYSA-N -1 1 357.388 2.546 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000147023174 728743141 /nfs/dbraw/zinc/74/31/41/728743141.db2.gz IXJVXQSQGIJVNN-LBPRGKRZSA-N -1 1 367.402 2.537 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1cccs1 ZINC000173450181 729047576 /nfs/dbraw/zinc/04/75/76/729047576.db2.gz VJKPCWUSODVENF-SNVBAGLBSA-N -1 1 358.416 2.953 20 5 FFBDMM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173610979 729051107 /nfs/dbraw/zinc/05/11/07/729051107.db2.gz JJHQBPAWGSAQTN-NSHDSACASA-N -1 1 371.846 2.886 20 5 FFBDMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186754577 729368697 /nfs/dbraw/zinc/36/86/97/729368697.db2.gz ZSWJIAKKRJIGOE-UHFFFAOYSA-N -1 1 355.272 2.986 20 5 FFBDMM CSCc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000782502160 738728010 /nfs/dbraw/zinc/72/80/10/738728010.db2.gz AUZZQNABZAUJLX-UHFFFAOYSA-N -1 1 358.466 2.998 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000748641012 735660845 /nfs/dbraw/zinc/66/08/45/735660845.db2.gz QQYBPSGWOONWBK-UHFFFAOYSA-N -1 1 366.355 2.503 20 5 FFBDMM C/C(=C\C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000752344790 735979199 /nfs/dbraw/zinc/97/91/99/735979199.db2.gz DJOAXJZUOKQONE-MDZDMXLPSA-N -1 1 360.288 2.610 20 5 FFBDMM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000910387812 737067803 /nfs/dbraw/zinc/06/78/03/737067803.db2.gz ZKKXEFVSDFVHNQ-BDHHJBHZSA-N -1 1 363.439 2.684 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc([N+](=O)[O-])c1F ZINC000768286077 737411330 /nfs/dbraw/zinc/41/13/30/737411330.db2.gz VHGUAAAYMOUMQN-UHFFFAOYSA-N -1 1 356.379 2.864 20 5 FFBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C(=O)[O-] ZINC000923252260 738261901 /nfs/dbraw/zinc/26/19/01/738261901.db2.gz KRDVFLBKXPKKIA-SKDRFNHKSA-N -1 1 357.204 2.900 20 5 FFBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000790047711 739412625 /nfs/dbraw/zinc/41/26/25/739412625.db2.gz NFUUVZCYAAMELZ-UHFFFAOYSA-N -1 1 351.731 2.606 20 5 FFBDMM COc1c(C(=O)Nc2nc(Br)ccc2[O-])cccc1[N+](=O)[O-] ZINC000793941626 739827876 /nfs/dbraw/zinc/82/78/76/739827876.db2.gz NMSDFAUOCRVPBH-UHFFFAOYSA-N -1 1 368.143 2.719 20 5 FFBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 ZINC000800990234 740575516 /nfs/dbraw/zinc/57/55/16/740575516.db2.gz QDOCQJYXGOTLKN-SSDOTTSWSA-N -1 1 367.343 2.623 20 5 FFBDMM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000809829656 741350112 /nfs/dbraw/zinc/35/01/12/741350112.db2.gz FUTIKRBAGIXNKU-HTQZYQBOSA-N -1 1 366.798 2.622 20 5 FFBDMM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815043016 741889701 /nfs/dbraw/zinc/88/97/01/741889701.db2.gz OQEPBPZIHRRHCA-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCN2C ZINC000818284328 742258242 /nfs/dbraw/zinc/25/82/42/742258242.db2.gz APSCDGVFTIFTBF-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000830074827 745302057 /nfs/dbraw/zinc/30/20/57/745302057.db2.gz XZTBFKIGPFNTDT-QMMMGPOBSA-N -1 1 373.175 2.679 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000831727877 745575752 /nfs/dbraw/zinc/57/57/52/745575752.db2.gz ANYRIYYCMNBZHF-QMMMGPOBSA-N -1 1 373.175 2.679 20 5 FFBDMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841558818 747398778 /nfs/dbraw/zinc/39/87/78/747398778.db2.gz KJSRHVABMRXDFF-YMTOWFKASA-N -1 1 362.835 2.730 20 5 FFBDMM O=C([O-])C1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCC1 ZINC001594884476 954450310 /nfs/dbraw/zinc/45/03/10/954450310.db2.gz DLGFIMMIZQMWGB-UHFFFAOYSA-N -1 1 355.310 2.541 20 5 FFBDMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc(C=C[N+](=O)[O-])cc2)c1 ZINC001175904868 1013586524 /nfs/dbraw/zinc/58/65/24/1013586524.db2.gz BJPIICNFGDHFLB-BQYQJAHWSA-N -1 1 363.351 2.650 20 5 FFBDMM CC(C)c1cc([C@H]2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)[nH]n1 ZINC001591931341 976437924 /nfs/dbraw/zinc/43/79/24/976437924.db2.gz OVMWQFNXURURTI-NSHDSACASA-N -1 1 359.386 2.919 20 5 FFBDMM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001212319395 991665430 /nfs/dbraw/zinc/66/54/30/991665430.db2.gz HFBFWUAOGWMNRZ-JTQLQIEISA-N -1 1 355.803 2.553 20 5 FFBDMM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC001598520263 992671606 /nfs/dbraw/zinc/67/16/06/992671606.db2.gz SCBLFRUWGASOFS-MRXNPFEDSA-N -1 1 374.393 2.614 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)cc([N+](=O)[O-])c1 ZINC000736195553 999547751 /nfs/dbraw/zinc/54/77/51/999547751.db2.gz OGUJCKGCLJCRAQ-UHFFFAOYSA-N -1 1 363.257 2.681 20 5 FFBDMM CC(C)(C)OC(=O)N1CC(CCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000859597986 1008584658 /nfs/dbraw/zinc/58/46/58/1008584658.db2.gz RRYWZFJJLMEYJG-UHFFFAOYSA-N -1 1 366.370 2.714 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001116299501 1021158561 /nfs/dbraw/zinc/15/85/61/1021158561.db2.gz BGBOXZSDXGIFTN-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC001116707426 1021369407 /nfs/dbraw/zinc/36/94/07/1021369407.db2.gz WVYLSPFPFVPBTP-UHFFFAOYSA-N -1 1 358.807 2.951 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@H]3C[C@H](O)C3)c([N+](=O)[O-])c2)cc1 ZINC001218425608 1033148653 /nfs/dbraw/zinc/14/86/53/1033148653.db2.gz QJFSSTSGYRRBOS-NNUKFRKNSA-N -1 1 357.362 2.990 20 5 FFBDMM CC1(C)C[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)CC[NH2+]1 ZINC001218478830 1033172173 /nfs/dbraw/zinc/17/21/73/1033172173.db2.gz OVUHSZHLQRWZAA-NSHDSACASA-N -1 1 371.389 2.972 20 5 FFBDMM CCOC(=O)c1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000784238325 1030528430 /nfs/dbraw/zinc/52/84/30/1030528430.db2.gz MRBBYFPUNKKGNL-UHFFFAOYSA-N -1 1 373.317 2.517 20 5 FFBDMM Cc1cc(Cl)c(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC001149500399 1031522841 /nfs/dbraw/zinc/52/28/41/1031522841.db2.gz LVZLDRGVRKNKQE-CQSZACIVSA-N -1 1 372.772 2.589 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661771 1034354918 /nfs/dbraw/zinc/35/49/18/1034354918.db2.gz OYLGLMHKFTYPRX-SJCJKPOMSA-N -1 1 365.386 2.864 20 5 FFBDMM COc1cnc(=S)[n-]c1O[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226243177 1034589538 /nfs/dbraw/zinc/58/95/38/1034589538.db2.gz YJCUYGZVTBTJNL-SSDOTTSWSA-N -1 1 351.340 2.551 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)COc1ccccc1 ZINC001226309266 1034623644 /nfs/dbraw/zinc/62/36/44/1034623644.db2.gz DBLKEMANOFJFMA-LLVKDONJSA-N -1 1 362.338 2.718 20 5 FFBDMM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751222 1036871585 /nfs/dbraw/zinc/87/15/85/1036871585.db2.gz SXPWSTGUEFGAKB-OAHLLOKOSA-N -1 1 359.382 2.950 20 5 FFBDMM CC1=C[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)CC(=O)O1 ZINC001234125516 1036927891 /nfs/dbraw/zinc/92/78/91/1036927891.db2.gz UFKNANZRQWNBAX-SNVBAGLBSA-N -1 1 370.313 2.661 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3CCOC[C@H]3F)c12 ZINC001234128277 1036931930 /nfs/dbraw/zinc/93/19/30/1036931930.db2.gz KZCDEHZRYDFVRL-BXKDBHETSA-N -1 1 362.309 2.569 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC001231258803 1037513947 /nfs/dbraw/zinc/51/39/47/1037513947.db2.gz CPVDNDHVXKYJHW-QMMMGPOBSA-N -1 1 363.282 2.781 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)n1 ZINC001231264871 1037517983 /nfs/dbraw/zinc/51/79/83/1037517983.db2.gz VJWXJPAAXRTLGU-NQBHXWOUSA-N -1 1 365.386 2.638 20 5 FFBDMM C[C@H](COc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001208470926 1038338214 /nfs/dbraw/zinc/33/82/14/1038338214.db2.gz PZBGUGQTLVFALO-SNVBAGLBSA-N -1 1 372.349 2.619 20 5 FFBDMM COC(=O)c1scc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C(=O)OC ZINC001210392405 1039520162 /nfs/dbraw/zinc/52/01/62/1039520162.db2.gz CRGQDRNTOHNVSP-UHFFFAOYSA-N -1 1 352.324 2.679 20 5 FFBDMM Cc1c(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211290727 1040063232 /nfs/dbraw/zinc/06/32/32/1040063232.db2.gz JNCRHKYULJLGJI-UHFFFAOYSA-N -1 1 363.290 2.515 20 5 FFBDMM Cc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2[O-])cc1[N+](=O)[O-] ZINC001213670218 1040780041 /nfs/dbraw/zinc/78/00/41/1040780041.db2.gz ODMFKVIQUKXOPR-UHFFFAOYSA-N -1 1 351.384 2.603 20 5 FFBDMM CC1(C)CC[C@@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])OC1 ZINC001213886058 1041024303 /nfs/dbraw/zinc/02/43/03/1041024303.db2.gz ISQQGZPOUYLISU-NSHDSACASA-N -1 1 360.407 2.608 20 5 FFBDMM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463108772 1061940813 /nfs/dbraw/zinc/94/08/13/1061940813.db2.gz DGCWUEVOQPJXMR-NSHDSACASA-N -1 1 371.242 2.587 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001436664103 1062762056 /nfs/dbraw/zinc/76/20/56/1062762056.db2.gz ABPFKHIBUWJRSF-UHFFFAOYSA-N -1 1 365.349 2.770 20 5 FFBDMM C[S@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001472336875 1065022300 /nfs/dbraw/zinc/02/23/00/1065022300.db2.gz BOOATFAFCPAOLC-HSZRJFAPSA-N -1 1 355.759 2.646 20 5 FFBDMM CCOc1cc(Cl)ccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472534709 1065089690 /nfs/dbraw/zinc/08/96/90/1065089690.db2.gz MWGDQBWBDLNWIZ-UHFFFAOYSA-N -1 1 351.746 2.678 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c(F)cc1[N+](=O)[O-] ZINC001474820697 1065616342 /nfs/dbraw/zinc/61/63/42/1065616342.db2.gz BCUCYMGDXUIGJN-SSDOTTSWSA-N -1 1 357.190 2.514 20 5 FFBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001558208982 1075961709 /nfs/dbraw/zinc/96/17/09/1075961709.db2.gz LKKLFSSGUPNAEJ-UHFFFAOYSA-N -1 1 350.714 2.613 20 5 FFBDMM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001561696566 1076408793 /nfs/dbraw/zinc/40/87/93/1076408793.db2.gz AQYPQFHPRLUBEL-VIFPVBQESA-N -1 1 373.793 2.692 20 5 FFBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1c([O-])cnc2c(F)cccc21 ZINC001568440119 1077092272 /nfs/dbraw/zinc/09/22/72/1077092272.db2.gz MKVNLAGJOZQABF-UHFFFAOYSA-N -1 1 355.325 2.960 20 5 FFBDMM CC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1[O-] ZINC001569928443 1077172273 /nfs/dbraw/zinc/17/22/73/1077172273.db2.gz UQZOWKJGOYAEBL-UHFFFAOYSA-N -1 1 372.333 2.917 20 5 FFBDMM CC(C)OC(=O)C[C@H](NC(=O)c1ccc([O-])cn1)c1ccccc1[N+](=O)[O-] ZINC001587482985 1079798068 /nfs/dbraw/zinc/79/80/68/1079798068.db2.gz PPORLTXQUFQTJP-HNNXBMFYSA-N -1 1 373.365 2.508 20 5 FFBDMM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)s1 ZINC001589244515 1080442619 /nfs/dbraw/zinc/44/26/19/1080442619.db2.gz AYZDCWGVAFRQEE-UHFFFAOYSA-N -1 1 360.403 2.536 20 5 FFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)Oc1ccc(F)cc1 ZINC001589877047 1080824881 /nfs/dbraw/zinc/82/48/81/1080824881.db2.gz HYJTWSLCVHUWRD-SNVBAGLBSA-N -1 1 358.333 2.793 20 5 FFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)Oc1ccc(F)cc1 ZINC001589877047 1080824887 /nfs/dbraw/zinc/82/48/87/1080824887.db2.gz HYJTWSLCVHUWRD-SNVBAGLBSA-N -1 1 358.333 2.793 20 5 FFBDMM C[C@@H]1C[C@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590218213 1081101029 /nfs/dbraw/zinc/10/10/29/1081101029.db2.gz GQLZDVJDUJSCCK-LDYMZIIASA-N -1 1 355.358 2.686 20 5 FFBDMM C[C@@H]1C[C@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590218213 1081101030 /nfs/dbraw/zinc/10/10/30/1081101030.db2.gz GQLZDVJDUJSCCK-LDYMZIIASA-N -1 1 355.358 2.686 20 5 FFBDMM CC1CCC2(CC1)OC[C@@H](CNc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)O2 ZINC001590242719 1081116284 /nfs/dbraw/zinc/11/62/84/1081116284.db2.gz WZFZCXCPGYVYQI-OFKYTCTHSA-N -1 1 374.401 2.509 20 5 FFBDMM O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000022356739 249330522 /nfs/dbraw/zinc/33/05/22/249330522.db2.gz MLEHNDBAHJBCTM-UHFFFAOYSA-N -1 1 368.389 2.964 20 5 FFBDMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000276150586 256076611 /nfs/dbraw/zinc/07/66/11/256076611.db2.gz DAHDWWZQWOFNSG-UHFFFAOYSA-N -1 1 364.358 2.838 20 5 FFBDMM CC(=O)c1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290648332 257349324 /nfs/dbraw/zinc/34/93/24/257349324.db2.gz INJWYBUOLODYGO-NSHDSACASA-N -1 1 373.331 2.692 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(Cl)cc1Cl ZINC000290724110 257354578 /nfs/dbraw/zinc/35/45/78/257354578.db2.gz KQKKZSWAVOKVLU-MRVPVSSYSA-N -1 1 369.226 2.749 20 5 FFBDMM CC(C)(CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290732162 257355071 /nfs/dbraw/zinc/35/50/71/257355071.db2.gz LGMZLYCRFBKUCN-UHFFFAOYSA-N -1 1 371.242 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)s1 ZINC000409930223 512169364 /nfs/dbraw/zinc/16/93/64/512169364.db2.gz UFEAQSIDGIAUAM-UHFFFAOYSA-N -1 1 351.409 2.659 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)s1 ZINC000066001538 506409949 /nfs/dbraw/zinc/40/99/49/506409949.db2.gz MPQKKGQLQSQKBX-NSHDSACASA-N -1 1 372.399 2.988 20 5 FFBDMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066637540 506590287 /nfs/dbraw/zinc/59/02/87/506590287.db2.gz KONJNJGHEFURPW-UHFFFAOYSA-N -1 1 358.383 2.595 20 5 FFBDMM COc1ccccc1-c1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000054775535 506618294 /nfs/dbraw/zinc/61/82/94/506618294.db2.gz PLWLMPIMRVLTHV-UHFFFAOYSA-N -1 1 357.301 2.780 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000067116628 506760272 /nfs/dbraw/zinc/76/02/72/506760272.db2.gz KNHRCVSHTYMBQR-UHFFFAOYSA-N -1 1 363.395 2.916 20 5 FFBDMM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000024155253 507394218 /nfs/dbraw/zinc/39/42/18/507394218.db2.gz XYSYUIUTTPXKOO-GFCCVEGCSA-N -1 1 365.798 2.903 20 5 FFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000028195883 507712451 /nfs/dbraw/zinc/71/24/51/507712451.db2.gz JCFAMKLOLDNFCU-UHFFFAOYSA-N -1 1 370.770 2.836 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1C ZINC000029323364 507773826 /nfs/dbraw/zinc/77/38/26/507773826.db2.gz JXQXEUHDHNAQRE-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000092030253 508034293 /nfs/dbraw/zinc/03/42/93/508034293.db2.gz QRQCLNOGCBKHOD-UHFFFAOYSA-N -1 1 359.769 2.866 20 5 FFBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666638 508115047 /nfs/dbraw/zinc/11/50/47/508115047.db2.gz YUJHJUPVRLMONQ-SECBINFHSA-N -1 1 363.757 2.711 20 5 FFBDMM Cc1[nH]nc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)ccc12 ZINC000093909143 508159858 /nfs/dbraw/zinc/15/98/58/508159858.db2.gz BKHRUOFFDOJTNI-UHFFFAOYSA-N -1 1 362.367 2.594 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000119135905 508733228 /nfs/dbraw/zinc/73/32/28/508733228.db2.gz YVVWNZCRJHZFDN-UHFFFAOYSA-N -1 1 364.774 2.753 20 5 FFBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000123896052 508755118 /nfs/dbraw/zinc/75/51/18/508755118.db2.gz FPJXGSRLBUSFGJ-UHFFFAOYSA-N -1 1 358.280 2.563 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2ccncc2)cs1 ZINC000154392481 508774685 /nfs/dbraw/zinc/77/46/85/508774685.db2.gz XWBPJGJICAAKNE-VIFPVBQESA-N -1 1 371.378 2.705 20 5 FFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000126769544 509125567 /nfs/dbraw/zinc/12/55/67/509125567.db2.gz CVLSPRLLJSDVRS-UHFFFAOYSA-N -1 1 356.379 2.846 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000186859646 509917179 /nfs/dbraw/zinc/91/71/79/509917179.db2.gz YWJCTRTYMBRCBZ-LBPRGKRZSA-N -1 1 363.395 2.578 20 5 FFBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000193895068 510117111 /nfs/dbraw/zinc/11/71/11/510117111.db2.gz TVURJAXKAHTCBG-GFCCVEGCSA-N -1 1 371.271 2.737 20 5 FFBDMM O=C(NCc1cc(F)cc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188245034 510667066 /nfs/dbraw/zinc/66/70/66/510667066.db2.gz PKKVYRPUZMDUAL-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279347399 511052782 /nfs/dbraw/zinc/05/27/82/511052782.db2.gz IWLGTYBBVJLATA-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295325016 511363229 /nfs/dbraw/zinc/36/32/29/511363229.db2.gz WTKWWZCRPMBVDP-JGVFFNPUSA-N -1 1 371.242 2.587 20 5 FFBDMM COc1cccc(CC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000365465628 511466776 /nfs/dbraw/zinc/46/67/76/511466776.db2.gz SQEQWZOMSHSXLT-UHFFFAOYSA-N -1 1 371.393 2.799 20 5 FFBDMM C[C@H](CCCCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295763153 511507708 /nfs/dbraw/zinc/50/77/08/511507708.db2.gz PHDHATMTHWKLCP-MRVPVSSYSA-N -1 1 371.242 2.731 20 5 FFBDMM Cc1ccc(C(=O)C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000365658944 511586662 /nfs/dbraw/zinc/58/66/62/511586662.db2.gz KMBAYVRXUGHWQZ-UHFFFAOYSA-N -1 1 369.377 2.739 20 5 FFBDMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000327628751 511878043 /nfs/dbraw/zinc/87/80/43/511878043.db2.gz OZCWCLKLLKHJOK-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000392580366 512926058 /nfs/dbraw/zinc/92/60/58/512926058.db2.gz BRYLPISRUIHOMN-UHFFFAOYSA-N -1 1 364.379 2.997 20 5 FFBDMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440670210 513378086 /nfs/dbraw/zinc/37/80/86/513378086.db2.gz XVAPZETYSQHZOW-PBHICJAKSA-N -1 1 371.393 2.902 20 5 FFBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000447339859 513452082 /nfs/dbraw/zinc/45/20/82/513452082.db2.gz IIKHTEWQRFFSMC-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C(N=c1ccc([O-])n[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441295643 513532948 /nfs/dbraw/zinc/53/29/48/513532948.db2.gz JQSHLGTWGRPRDT-UHFFFAOYSA-N -1 1 368.374 2.916 20 5 FFBDMM O=C(N=c1ccc(O)n[n-]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000441295643 513532952 /nfs/dbraw/zinc/53/29/52/513532952.db2.gz JQSHLGTWGRPRDT-UHFFFAOYSA-N -1 1 368.374 2.916 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C3CC3)c2)c([N+](=O)[O-])n1 ZINC000451586260 513848751 /nfs/dbraw/zinc/84/87/51/513848751.db2.gz GGSBECCTFNCVAQ-LLVKDONJSA-N -1 1 364.427 2.728 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 ZINC000451671577 513902329 /nfs/dbraw/zinc/90/23/29/513902329.db2.gz MCDLDOODNNSBEX-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443374806 513953324 /nfs/dbraw/zinc/95/33/24/513953324.db2.gz QIILDXXMYUMJIT-SNVBAGLBSA-N -1 1 370.814 2.863 20 5 FFBDMM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449001643 514018891 /nfs/dbraw/zinc/01/88/91/514018891.db2.gz LDMUWWBKLHCWPQ-CQSZACIVSA-N -1 1 360.370 2.625 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466540084 514682929 /nfs/dbraw/zinc/68/29/29/514682929.db2.gz DJQSSVDYUUADCS-LLVKDONJSA-N -1 1 372.761 2.799 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C)o1 ZINC000480022134 514813663 /nfs/dbraw/zinc/81/36/63/514813663.db2.gz HZENBRPIBZSTBW-ZDUSSCGKSA-N -1 1 372.374 2.691 20 5 FFBDMM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489691203 514940424 /nfs/dbraw/zinc/94/04/24/514940424.db2.gz XWIZIELCXVPUAW-QMMMGPOBSA-N -1 1 363.233 2.682 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000485209824 514956961 /nfs/dbraw/zinc/95/69/61/514956961.db2.gz KZUBTPKGVFEGHU-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM CCCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1OC ZINC000456200110 515018250 /nfs/dbraw/zinc/01/82/50/515018250.db2.gz VSNMYFRICXNHDQ-UKRRQHHQSA-N -1 1 351.403 2.895 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000490530944 515239142 /nfs/dbraw/zinc/23/91/42/515239142.db2.gz INIAFZDOQJDTDT-UHFFFAOYSA-N -1 1 367.427 2.939 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479152080 516080727 /nfs/dbraw/zinc/08/07/27/516080727.db2.gz GERWSFDIALOFKN-LBPRGKRZSA-N -1 1 368.333 2.613 20 5 FFBDMM O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000547861650 516605663 /nfs/dbraw/zinc/60/56/63/516605663.db2.gz NBXCZJLRKQPQMV-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000555129443 516794978 /nfs/dbraw/zinc/79/49/78/516794978.db2.gz ORYPBYQXCAYLQZ-UHFFFAOYSA-N -1 1 363.395 2.916 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000555230840 516840917 /nfs/dbraw/zinc/84/09/17/516840917.db2.gz UFYVMTQGIQPOBR-GJZGRUSLSA-N -1 1 361.423 2.680 20 5 FFBDMM COc1cc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000527487324 517703308 /nfs/dbraw/zinc/70/33/08/517703308.db2.gz GNBJABPOGLPEAN-UHFFFAOYSA-N -1 1 366.757 2.771 20 5 FFBDMM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542857973 517783593 /nfs/dbraw/zinc/78/35/93/517783593.db2.gz FCCPRIKAUPMXBV-UHFFFAOYSA-N -1 1 364.379 2.803 20 5 FFBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000553570543 517789423 /nfs/dbraw/zinc/78/94/23/517789423.db2.gz YIJRLVOFHFRGDH-AYVTZFPOSA-N -1 1 370.333 2.674 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000542943987 517830530 /nfs/dbraw/zinc/83/05/30/517830530.db2.gz WIESWKGQCAXQIS-UHFFFAOYSA-N -1 1 370.358 2.563 20 5 FFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530621381 517884284 /nfs/dbraw/zinc/88/42/84/517884284.db2.gz DNFRMABBTPKDRD-UHFFFAOYSA-N -1 1 374.397 2.505 20 5 FFBDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000530648874 517898689 /nfs/dbraw/zinc/89/86/89/517898689.db2.gz GCXGWUKNLCJPRM-UHFFFAOYSA-N -1 1 350.352 2.656 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000563499447 517938789 /nfs/dbraw/zinc/93/87/89/517938789.db2.gz FQVZJCNBEXRKCH-LJQANCHMSA-N -1 1 360.385 2.867 20 5 FFBDMM O=C([O-])c1ccccc1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000576405143 518576434 /nfs/dbraw/zinc/57/64/34/518576434.db2.gz FOBMZVKGSQNGJK-UHFFFAOYSA-N -1 1 355.394 2.658 20 5 FFBDMM COc1ccc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)cc1[N+](=O)[O-] ZINC000573809963 518847319 /nfs/dbraw/zinc/84/73/19/518847319.db2.gz WSRFARSMMZMQMR-UHFFFAOYSA-N -1 1 374.397 2.644 20 5 FFBDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH]c1=O ZINC000590597701 519281479 /nfs/dbraw/zinc/28/14/79/519281479.db2.gz RVCBUDFFTUAGKZ-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000594779832 520153981 /nfs/dbraw/zinc/15/39/81/520153981.db2.gz SSWUIUBHXAMHPL-GFCCVEGCSA-N -1 1 357.338 2.609 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000594858169 520193720 /nfs/dbraw/zinc/19/37/20/520193720.db2.gz RBPZVCNBUVKSCB-JTQLQIEISA-N -1 1 363.233 2.824 20 5 FFBDMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603671928 520339947 /nfs/dbraw/zinc/33/99/47/520339947.db2.gz LIOZTQMSGXYIAQ-UHFFFAOYSA-N -1 1 366.333 2.813 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC000609657851 520396195 /nfs/dbraw/zinc/39/61/95/520396195.db2.gz WDKYTOHOALTZQD-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM CCSc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000603940126 520411382 /nfs/dbraw/zinc/41/13/82/520411382.db2.gz CKOIDRPEMQMYLU-UHFFFAOYSA-N -1 1 354.369 2.539 20 5 FFBDMM O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604094206 520447958 /nfs/dbraw/zinc/44/79/58/520447958.db2.gz DPDUMPYZZDESTA-UHFFFAOYSA-N -1 1 351.322 2.823 20 5 FFBDMM C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)n1cccn1 ZINC000604103550 520449718 /nfs/dbraw/zinc/44/97/18/520449718.db2.gz ARTSIAWHCQZVKZ-LLVKDONJSA-N -1 1 368.353 2.571 20 5 FFBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000610266625 520613192 /nfs/dbraw/zinc/61/31/92/520613192.db2.gz IBSDORXJENYNDG-OLZOCXBDSA-N -1 1 374.846 2.874 20 5 FFBDMM Cc1cccc(CN2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000592967032 520663914 /nfs/dbraw/zinc/66/39/14/520663914.db2.gz CWXTXWUBHSZQJR-UHFFFAOYSA-N -1 1 355.394 2.924 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)c([N+](=O)[O-])n1 ZINC000611106211 520986754 /nfs/dbraw/zinc/98/67/54/520986754.db2.gz ZKMJADMAVIWMJX-VIFPVBQESA-N -1 1 358.445 2.529 20 5 FFBDMM CCOc1cc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)ccc1[N+](=O)[O-] ZINC000593751650 521192181 /nfs/dbraw/zinc/19/21/81/521192181.db2.gz GJRGYTAEAPSUTO-UHFFFAOYSA-N -1 1 374.397 2.725 20 5 FFBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cccnc3[N+](=O)[O-])c2)n1 ZINC000618980856 521331818 /nfs/dbraw/zinc/33/18/18/521331818.db2.gz FZKAGMQAODCUJD-UHFFFAOYSA-N -1 1 368.353 2.564 20 5 FFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736727736 600301623 /nfs/dbraw/zinc/30/16/23/600301623.db2.gz IHKQDYMGTAWDEN-FZMZJTMJSA-N -1 1 372.381 2.893 20 5 FFBDMM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000736661686 600522436 /nfs/dbraw/zinc/52/24/36/600522436.db2.gz GXROBFCFPCQALM-OLZOCXBDSA-N -1 1 371.393 2.649 20 5 FFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000824992639 607451939 /nfs/dbraw/zinc/45/19/39/607451939.db2.gz NJYVQSZCDJGDCJ-YVEFUNNKSA-N -1 1 366.381 2.741 20 5 FFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC000824992639 607451941 /nfs/dbraw/zinc/45/19/41/607451941.db2.gz NJYVQSZCDJGDCJ-YVEFUNNKSA-N -1 1 366.381 2.741 20 5 FFBDMM O=C([O-])N1CCc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2C1 ZINC000834054895 605780332 /nfs/dbraw/zinc/78/03/32/605780332.db2.gz XOGMKIMRNXHOCJ-UHFFFAOYSA-N -1 1 357.322 2.589 20 5 FFBDMM Cc1ccccc1C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822350838 606708534 /nfs/dbraw/zinc/70/85/34/606708534.db2.gz HQUWSBMRYFQJMJ-UHFFFAOYSA-N -1 1 365.397 2.862 20 5 FFBDMM Cc1ccccc1C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822350838 606708535 /nfs/dbraw/zinc/70/85/35/606708535.db2.gz HQUWSBMRYFQJMJ-UHFFFAOYSA-N -1 1 365.397 2.862 20 5 FFBDMM CCO[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357850 606715186 /nfs/dbraw/zinc/71/51/86/606715186.db2.gz GAIAJDSKLAUVKE-RYUDHWBXSA-N -1 1 361.406 2.566 20 5 FFBDMM CCO[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357850 606715187 /nfs/dbraw/zinc/71/51/87/606715187.db2.gz GAIAJDSKLAUVKE-RYUDHWBXSA-N -1 1 361.406 2.566 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCC(C(F)(F)F)CC1 ZINC000823619847 607165994 /nfs/dbraw/zinc/16/59/94/607165994.db2.gz CBKONQNHIZIELD-UHFFFAOYSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCC(C(F)(F)F)CC1 ZINC000823619847 607165995 /nfs/dbraw/zinc/16/59/95/607165995.db2.gz CBKONQNHIZIELD-UHFFFAOYSA-N -1 1 357.296 2.703 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCC1 ZINC000157696948 728875240 /nfs/dbraw/zinc/87/52/40/728875240.db2.gz FQUGYVXLTHILBA-QMMMGPOBSA-N -1 1 363.233 2.824 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000092263823 728465888 /nfs/dbraw/zinc/46/58/88/728465888.db2.gz AVKCRKLZPLSQGO-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000120189880 728607426 /nfs/dbraw/zinc/60/74/26/728607426.db2.gz SUBNKCOFOQTIBC-UHFFFAOYSA-N -1 1 354.771 2.984 20 5 FFBDMM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000120272796 728608969 /nfs/dbraw/zinc/60/89/69/728608969.db2.gz IGCJPRYLGWGTOJ-JTQLQIEISA-N -1 1 371.440 2.707 20 5 FFBDMM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000120272629 728608983 /nfs/dbraw/zinc/60/89/83/728608983.db2.gz IGCJPRYLGWGTOJ-SNVBAGLBSA-N -1 1 371.440 2.707 20 5 FFBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000125597436 728685309 /nfs/dbraw/zinc/68/53/09/728685309.db2.gz DQHYJQLQAUEFLP-UHFFFAOYSA-N -1 1 363.182 2.602 20 5 FFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173522966 729049641 /nfs/dbraw/zinc/04/96/41/729049641.db2.gz YNABHYVJGJHIJD-VIFPVBQESA-N -1 1 350.824 2.730 20 5 FFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccnc1 ZINC000177019727 729126071 /nfs/dbraw/zinc/12/60/71/729126071.db2.gz FKVRSUWEMCITEB-ZDUSSCGKSA-N -1 1 367.402 2.847 20 5 FFBDMM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194347122 729508113 /nfs/dbraw/zinc/50/81/13/729508113.db2.gz NPDQZSWVMRHDKC-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM Cc1c(C(=O)[N-]c2nc(C3(C)CC3)ns2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862609836 730711937 /nfs/dbraw/zinc/71/19/37/730711937.db2.gz ZGMXCFICWWQKJC-UHFFFAOYSA-N -1 1 363.355 2.967 20 5 FFBDMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000783025640 738773906 /nfs/dbraw/zinc/77/39/06/738773906.db2.gz RGSZCQJXQDOMCV-VIFPVBQESA-N -1 1 370.408 2.946 20 5 FFBDMM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725817137 734393061 /nfs/dbraw/zinc/39/30/61/734393061.db2.gz MHJXTPKGGLOGRC-UHFFFAOYSA-N -1 1 370.814 2.914 20 5 FFBDMM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742313228 735225649 /nfs/dbraw/zinc/22/56/49/735225649.db2.gz PHDNQCZSLIVQMW-ZBFHGGJFSA-N -1 1 350.371 2.742 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]nc1C1CC1 ZINC000760321160 736629379 /nfs/dbraw/zinc/62/93/79/736629379.db2.gz RHUMULKNQFFAGU-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000768881100 737471387 /nfs/dbraw/zinc/47/13/87/737471387.db2.gz GDKSWQFSKIHCOJ-UHFFFAOYSA-N -1 1 367.364 2.637 20 5 FFBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(=O)[O-] ZINC000923252259 738261905 /nfs/dbraw/zinc/26/19/05/738261905.db2.gz KRDVFLBKXPKKIA-JOYOIKCWSA-N -1 1 357.204 2.900 20 5 FFBDMM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000795282889 739996531 /nfs/dbraw/zinc/99/65/31/739996531.db2.gz BNBYPXMBQFAYGY-GXTWGEPZSA-N -1 1 366.370 2.577 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccn1 ZINC000798224352 740314115 /nfs/dbraw/zinc/31/41/15/740314115.db2.gz FVLBEYSIWGXACI-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000798473337 740335901 /nfs/dbraw/zinc/33/59/01/740335901.db2.gz HVIDJGAAEMPDPZ-UHFFFAOYSA-N -1 1 370.452 2.930 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808341015 741215964 /nfs/dbraw/zinc/21/59/64/741215964.db2.gz UNIARMYVMUJIST-BMIGLBTASA-N -1 1 370.814 2.649 20 5 FFBDMM COCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809812911 741346465 /nfs/dbraw/zinc/34/64/65/741346465.db2.gz ZDBBRDTZVGFKPH-UHFFFAOYSA-N -1 1 371.242 2.997 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000814979987 741878658 /nfs/dbraw/zinc/87/86/58/741878658.db2.gz YVSXRXXHILHPOS-UHFFFAOYSA-N -1 1 364.807 2.970 20 5 FFBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017322 741883007 /nfs/dbraw/zinc/88/30/07/741883007.db2.gz ZFDCEIUOZISKSR-SECBINFHSA-N -1 1 368.814 2.871 20 5 FFBDMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021048 741884192 /nfs/dbraw/zinc/88/41/92/741884192.db2.gz KIVMFFGWLFCYFJ-SFYZADRCSA-N -1 1 368.839 2.950 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000830833401 745438818 /nfs/dbraw/zinc/43/88/18/745438818.db2.gz DHMAQGBYMZKMAD-GFCCVEGCSA-N -1 1 369.226 2.749 20 5 FFBDMM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000831823474 745589948 /nfs/dbraw/zinc/58/99/48/745589948.db2.gz VWQQZXPTHXINCO-SKDRFNHKSA-N -1 1 350.824 2.588 20 5 FFBDMM Cc1ncsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832112166 745638391 /nfs/dbraw/zinc/63/83/91/745638391.db2.gz SXMBGBUXKNRDQN-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@]1(F)Cl ZINC000845974614 748367448 /nfs/dbraw/zinc/36/74/48/748367448.db2.gz CUYUROSSVDPJFO-NWDGAFQWSA-N -1 1 354.762 2.717 20 5 FFBDMM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000854340057 750286888 /nfs/dbraw/zinc/28/68/88/750286888.db2.gz SAUYXZGAVSXSFO-QWRGUYRKSA-N -1 1 370.274 2.751 20 5 FFBDMM Cc1nocc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001211985296 981366228 /nfs/dbraw/zinc/36/62/28/981366228.db2.gz ZXKBSVVAWLSFNR-UHFFFAOYSA-N -1 1 366.182 2.677 20 5 FFBDMM C[C@H]1CN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)O1 ZINC001594526661 986057953 /nfs/dbraw/zinc/05/79/53/986057953.db2.gz BOAVDQYKIBINTB-QWRGUYRKSA-N -1 1 371.821 2.858 20 5 FFBDMM C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCN(C2CC2)C1 ZINC001594560705 986305561 /nfs/dbraw/zinc/30/55/61/986305561.db2.gz ALDIXBBRKCGSNF-SNVBAGLBSA-N -1 1 353.806 2.867 20 5 FFBDMM Cc1c[nH]c(=O)n1-c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000761829192 987889218 /nfs/dbraw/zinc/88/92/18/987889218.db2.gz FKFNSOBJWUDPGH-UHFFFAOYSA-N -1 1 352.310 2.840 20 5 FFBDMM CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598504192 992478666 /nfs/dbraw/zinc/47/86/66/992478666.db2.gz WBPORAGTOWCILM-CYBMUJFWSA-N -1 1 373.196 2.856 20 5 FFBDMM COC(=O)[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC001598803731 996163918 /nfs/dbraw/zinc/16/39/18/996163918.db2.gz OCHTWSLROZXQQN-BBRMVZONSA-N -1 1 364.398 2.556 20 5 FFBDMM COC[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001599176590 996856523 /nfs/dbraw/zinc/85/65/23/996856523.db2.gz MYOKGHYWJJYZTH-OAHLLOKOSA-N -1 1 360.366 2.536 20 5 FFBDMM COc1ccc([C@@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C2CC2)cn1 ZINC001599531633 997664703 /nfs/dbraw/zinc/66/47/03/997664703.db2.gz KIGZIQDAFZRACX-KRWDZBQOSA-N -1 1 357.366 2.938 20 5 FFBDMM Cc1ccccc1CN1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844206399 997725592 /nfs/dbraw/zinc/72/55/92/997725592.db2.gz AKEUHRUCWCEYJN-UHFFFAOYSA-N -1 1 369.421 2.853 20 5 FFBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594166705 998634567 /nfs/dbraw/zinc/63/45/67/998634567.db2.gz ANRWJZLFECVPHU-WPRPVWTQSA-N -1 1 366.761 2.593 20 5 FFBDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000745522318 999917439 /nfs/dbraw/zinc/91/74/39/999917439.db2.gz FCSVCQQZMNWFEU-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769046465 1000412536 /nfs/dbraw/zinc/41/25/36/1000412536.db2.gz KGDUQYHKVLTBCW-JTQLQIEISA-N -1 1 372.333 2.687 20 5 FFBDMM Nc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000771596709 1001154607 /nfs/dbraw/zinc/15/46/07/1001154607.db2.gz MOXHBWCCZDYUFE-UHFFFAOYSA-N -1 1 374.744 2.573 20 5 FFBDMM Nc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000771596709 1001154611 /nfs/dbraw/zinc/15/46/11/1001154611.db2.gz MOXHBWCCZDYUFE-UHFFFAOYSA-N -1 1 374.744 2.573 20 5 FFBDMM COC(=O)c1cc(Br)c([O-])c(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203574711 1002353615 /nfs/dbraw/zinc/35/36/15/1002353615.db2.gz HRVHZDFQSWGEOX-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001191347886 1003778352 /nfs/dbraw/zinc/77/83/52/1003778352.db2.gz MMIMQSIJCBUEEB-QWHCGFSZSA-N -1 1 358.464 2.696 20 5 FFBDMM COc1ccnc(C(=O)Nc2cc3nc4ccccc4nc3cc2N)c1[O-] ZINC001193531996 1004497822 /nfs/dbraw/zinc/49/78/22/1004497822.db2.gz PPFCKSDPSJJEAQ-UHFFFAOYSA-N -1 1 361.361 2.727 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000863943204 1010365566 /nfs/dbraw/zinc/36/55/66/1010365566.db2.gz RULHGFZQLROLKJ-UHFFFAOYSA-N -1 1 360.326 2.654 20 5 FFBDMM O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000801290044 1018808801 /nfs/dbraw/zinc/80/88/01/1018808801.db2.gz RNONYOMXEBKPRI-ZDUSSCGKSA-N -1 1 370.361 2.620 20 5 FFBDMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000780067889 1019413324 /nfs/dbraw/zinc/41/33/24/1019413324.db2.gz IFWHQBUSOCLNOY-SNVBAGLBSA-N -1 1 362.313 2.932 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780076139 1019625217 /nfs/dbraw/zinc/62/52/17/1019625217.db2.gz RTDMCFSRCWAFSP-LLVKDONJSA-N -1 1 366.370 2.714 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000780077525 1019637086 /nfs/dbraw/zinc/63/70/86/1019637086.db2.gz ZSQXXCYIXGYXBB-KZTGVZKYSA-N -1 1 364.398 2.787 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001116795001 1021420622 /nfs/dbraw/zinc/42/06/22/1021420622.db2.gz GBPMINRDESZBSD-UHFFFAOYSA-N -1 1 365.748 2.803 20 5 FFBDMM Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000753503662 1023342886 /nfs/dbraw/zinc/34/28/86/1023342886.db2.gz RFMZUJNTWZXBES-HNNXBMFYSA-N -1 1 370.409 2.745 20 5 FFBDMM O=c1cc[n-]c(O[C@H]2COCc3cc(Br)cnc32)c1[N+](=O)[O-] ZINC001225666062 1034359795 /nfs/dbraw/zinc/35/97/95/1034359795.db2.gz FWODFLQCSTXFLU-JTQLQIEISA-N -1 1 368.143 2.503 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)COc1ccccc1 ZINC001226309267 1034623354 /nfs/dbraw/zinc/62/33/54/1034623354.db2.gz DBLKEMANOFJFMA-NSHDSACASA-N -1 1 362.338 2.718 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1cnc2ccccn21 ZINC001226308347 1034623374 /nfs/dbraw/zinc/62/33/74/1034623374.db2.gz WAMLMSRIIQFVIE-SNVBAGLBSA-N -1 1 372.337 2.660 20 5 FFBDMM COC(=O)[C@H]1C[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227306705 1035500904 /nfs/dbraw/zinc/50/09/04/1035500904.db2.gz MGXJXIDBXSXYNG-MGCOHNPYSA-N -1 1 356.330 2.688 20 5 FFBDMM CC(=O)N1CCC[C@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227307090 1035500925 /nfs/dbraw/zinc/50/09/25/1035500925.db2.gz QYIRTSDOSPCAHN-LBPRGKRZSA-N -1 1 369.373 2.747 20 5 FFBDMM O=c1nc2c(c(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)[n-]1)COC2 ZINC001227686967 1035673092 /nfs/dbraw/zinc/67/30/92/1035673092.db2.gz XZSYEYPEMCKKTE-NSHDSACASA-N -1 1 357.244 2.803 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC001228140077 1035957579 /nfs/dbraw/zinc/95/75/79/1035957579.db2.gz FNLVBVFQVQTMHO-SNVBAGLBSA-N -1 1 368.390 2.647 20 5 FFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])O2 ZINC001228142560 1035957638 /nfs/dbraw/zinc/95/76/38/1035957638.db2.gz FCLUMZQMNBNQIE-IPJQOSJUSA-N -1 1 367.402 2.673 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC001229397233 1036649435 /nfs/dbraw/zinc/64/94/35/1036649435.db2.gz DXFKGJROCNQFGF-UHFFFAOYSA-N -1 1 350.762 2.792 20 5 FFBDMM CC(=O)N1CCC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC1 ZINC001234743952 1037161768 /nfs/dbraw/zinc/16/17/68/1037161768.db2.gz HYQRSPCOVFOLRZ-UHFFFAOYSA-N -1 1 369.373 2.747 20 5 FFBDMM C=CC(=O)OC[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750677 1037166854 /nfs/dbraw/zinc/16/68/54/1037166854.db2.gz MSSWSTYHXPFTAR-SECBINFHSA-N -1 1 372.329 2.560 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)n1 ZINC001231263799 1037515864 /nfs/dbraw/zinc/51/58/64/1037515864.db2.gz MBOKCKSGRJNNCC-GYSYKLTISA-N -1 1 365.386 2.781 20 5 FFBDMM Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001211402404 1040157849 /nfs/dbraw/zinc/15/78/49/1040157849.db2.gz ZUBGZIUPXVTGKT-UHFFFAOYSA-N -1 1 356.350 2.702 20 5 FFBDMM CSc1nc(C)c(CCC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(=O)[n-]1 ZINC001319202178 1045065619 /nfs/dbraw/zinc/06/56/19/1045065619.db2.gz FGPJFDZWPSNIFT-UHFFFAOYSA-N -1 1 374.422 2.596 20 5 FFBDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2C1 ZINC001325206306 1046416649 /nfs/dbraw/zinc/41/66/49/1046416649.db2.gz QRIZRISWUMAOIR-OAHLLOKOSA-N -1 1 362.407 2.818 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)cc1F ZINC001463920313 1062333562 /nfs/dbraw/zinc/33/35/62/1062333562.db2.gz LZUXAAWEFVLODC-ZDUSSCGKSA-N -1 1 374.434 2.652 20 5 FFBDMM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001464049623 1062399130 /nfs/dbraw/zinc/39/91/30/1062399130.db2.gz RMTVZWQDHRNPAO-UHFFFAOYSA-N -1 1 357.363 2.632 20 5 FFBDMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001464527390 1062663523 /nfs/dbraw/zinc/66/35/23/1062663523.db2.gz DEDJVICAUOPCBI-KATARQTJSA-N -1 1 362.810 2.958 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)cc1F ZINC001464608026 1062714184 /nfs/dbraw/zinc/71/41/84/1062714184.db2.gz KBHNBRXSCSEFFM-INIZCTEOSA-N -1 1 365.386 2.867 20 5 FFBDMM C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC001575137445 1078110869 /nfs/dbraw/zinc/11/08/69/1078110869.db2.gz ZIGDZLBQGLDDPI-GFCCVEGCSA-N -1 1 365.397 2.638 20 5 FFBDMM C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC001575137445 1078110870 /nfs/dbraw/zinc/11/08/70/1078110870.db2.gz ZIGDZLBQGLDDPI-GFCCVEGCSA-N -1 1 365.397 2.638 20 5 FFBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001472040981 1064904318 /nfs/dbraw/zinc/90/43/18/1064904318.db2.gz FICAEUZBRALKPF-UHFFFAOYSA-N -1 1 366.320 2.950 20 5 FFBDMM C[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793230 1078168790 /nfs/dbraw/zinc/16/87/90/1078168790.db2.gz PMFJSDLZJBCANL-MRXNPFEDSA-N -1 1 372.410 2.736 20 5 FFBDMM C[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793230 1078168793 /nfs/dbraw/zinc/16/87/93/1078168793.db2.gz PMFJSDLZJBCANL-MRXNPFEDSA-N -1 1 372.410 2.736 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1COc2cc(F)cc(F)c21 ZINC001582804851 1079111405 /nfs/dbraw/zinc/11/14/05/1079111405.db2.gz OKQGHHWVKAQHSS-QMMMGPOBSA-N -1 1 366.309 2.660 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1COc2cc(F)cc(F)c21 ZINC001582804851 1079111408 /nfs/dbraw/zinc/11/14/08/1079111408.db2.gz OKQGHHWVKAQHSS-QMMMGPOBSA-N -1 1 366.309 2.660 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H](c2ccccc2F)C1 ZINC001582804983 1079111542 /nfs/dbraw/zinc/11/15/42/1079111542.db2.gz UMNOCFJWCDQOKK-VIFPVBQESA-N -1 1 360.374 2.969 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H](c2ccccc2F)C1 ZINC001582804983 1079111545 /nfs/dbraw/zinc/11/15/45/1079111545.db2.gz UMNOCFJWCDQOKK-VIFPVBQESA-N -1 1 360.374 2.969 20 5 FFBDMM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1n[n-]c(C(F)(F)F)n1 ZINC001584912291 1079404187 /nfs/dbraw/zinc/40/41/87/1079404187.db2.gz XQJXEZBQORXZON-UHFFFAOYSA-N -1 1 363.683 2.956 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1Cl ZINC001557723599 1075879764 /nfs/dbraw/zinc/87/97/64/1075879764.db2.gz NTCQHUZBFBKGRV-CQSZACIVSA-N -1 1 372.772 2.589 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])s1 ZINC001561576239 1076394480 /nfs/dbraw/zinc/39/44/80/1076394480.db2.gz BYYWQVDQKXZGTQ-VIFPVBQESA-N -1 1 359.256 2.827 20 5 FFBDMM CC(C)C[C@@H]1OCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589573756 1080612712 /nfs/dbraw/zinc/61/27/12/1080612712.db2.gz MVARWYKBVJQINM-ONGXEEELSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)C[C@@H]1OCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589573756 1080612717 /nfs/dbraw/zinc/61/27/17/1080612717.db2.gz MVARWYKBVJQINM-ONGXEEELSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001589762862 1080718715 /nfs/dbraw/zinc/71/87/15/1080718715.db2.gz BECDCFJZIXZMCP-SNVBAGLBSA-N -1 1 368.419 2.615 20 5 FFBDMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001589762862 1080718720 /nfs/dbraw/zinc/71/87/20/1080718720.db2.gz BECDCFJZIXZMCP-SNVBAGLBSA-N -1 1 368.419 2.615 20 5 FFBDMM CC1(C)CC[C@H](CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])OC1 ZINC001590090022 1081001767 /nfs/dbraw/zinc/00/17/67/1081001767.db2.gz XKQWFGCLMPXLBY-SECBINFHSA-N -1 1 352.420 2.844 20 5 FFBDMM CC1(C)CC[C@H](CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])OC1 ZINC001590090022 1081001774 /nfs/dbraw/zinc/00/17/74/1081001774.db2.gz XKQWFGCLMPXLBY-SECBINFHSA-N -1 1 352.420 2.844 20 5 FFBDMM Cc1nc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000101570235 250079355 /nfs/dbraw/zinc/07/93/55/250079355.db2.gz ZFRGZXCBCSEVGR-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278996056 256370104 /nfs/dbraw/zinc/37/01/04/256370104.db2.gz QSFBVDLWWYHHPW-AWEZNQCLSA-N -1 1 365.773 2.809 20 5 FFBDMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296153077 257676911 /nfs/dbraw/zinc/67/69/11/257676911.db2.gz KFNXSFMQUUKSPX-APPZFPTMSA-N -1 1 369.226 2.605 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000032631190 506271665 /nfs/dbraw/zinc/27/16/65/506271665.db2.gz FVZRAOVGYCBZHT-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM O=C(NCc1ccc(-c2cccnc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373094047 512169143 /nfs/dbraw/zinc/16/91/43/512169143.db2.gz DUIQOYFYAXAIGH-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000249 506409847 /nfs/dbraw/zinc/40/98/47/506409847.db2.gz ZTEZAQRLXQOTLO-UHFFFAOYSA-N -1 1 370.452 2.965 20 5 FFBDMM CC(C)(C)c1nsc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000067168568 506782031 /nfs/dbraw/zinc/78/20/31/506782031.db2.gz YBLBXLPJSKJRBT-UHFFFAOYSA-N -1 1 373.398 2.577 20 5 FFBDMM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024100952 507392681 /nfs/dbraw/zinc/39/26/81/507392681.db2.gz LEGFHNFVEJMISF-UHFFFAOYSA-N -1 1 358.759 2.763 20 5 FFBDMM CCn1c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[n-]c1=S ZINC000078644301 507892807 /nfs/dbraw/zinc/89/28/07/507892807.db2.gz QMGRVGUCCYIAMT-UHFFFAOYSA-N -1 1 356.795 2.844 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000111073193 508068888 /nfs/dbraw/zinc/06/88/88/508068888.db2.gz XUQUVJCJWOZCNG-UHFFFAOYSA-N -1 1 353.338 2.949 20 5 FFBDMM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000077393043 508310362 /nfs/dbraw/zinc/31/03/62/508310362.db2.gz PYCPVVINQGJMAA-LLVKDONJSA-N -1 1 354.409 2.685 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c(F)cc1F ZINC000146463924 508851942 /nfs/dbraw/zinc/85/19/42/508851942.db2.gz KACBOGRFBNFXFH-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160160835 508947663 /nfs/dbraw/zinc/94/76/63/508947663.db2.gz DQPXHCLKOGNBST-SECBINFHSA-N -1 1 356.787 2.993 20 5 FFBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000125211050 508948684 /nfs/dbraw/zinc/94/86/84/508948684.db2.gz VCECSFYXKXDOLK-GFCCVEGCSA-N -1 1 370.452 2.593 20 5 FFBDMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000132386472 509024658 /nfs/dbraw/zinc/02/46/58/509024658.db2.gz FCWWRGKBVKTXQJ-LBPRGKRZSA-N -1 1 373.340 2.570 20 5 FFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000151495063 509029574 /nfs/dbraw/zinc/02/95/74/509029574.db2.gz YYEUKQIEEDNRJK-CQSZACIVSA-N -1 1 371.440 2.664 20 5 FFBDMM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000173623542 509680829 /nfs/dbraw/zinc/68/08/29/509680829.db2.gz JQGAFLPVAXRJDQ-LLVKDONJSA-N -1 1 356.425 2.711 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000173977868 509885565 /nfs/dbraw/zinc/88/55/65/509885565.db2.gz LJEZHMSPWAOWQN-CQSZACIVSA-N -1 1 370.814 2.914 20 5 FFBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c1[N+](=O)[O-] ZINC000255529200 509928077 /nfs/dbraw/zinc/92/80/77/509928077.db2.gz JKMXSOAEUMUTCO-WAYWQWQTSA-N -1 1 360.355 2.504 20 5 FFBDMM COc1ccc(C[C@@H](C)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193771582 510061273 /nfs/dbraw/zinc/06/12/73/510061273.db2.gz OPCXFGXVLZVANG-GFCCVEGCSA-N -1 1 359.382 2.655 20 5 FFBDMM Cc1cccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000193782640 510066999 /nfs/dbraw/zinc/06/69/99/510066999.db2.gz LMFDNMYSPQYQLN-KRWDZBQOSA-N -1 1 364.361 2.918 20 5 FFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000187146831 510085549 /nfs/dbraw/zinc/08/55/49/510085549.db2.gz VMCNWHVXPFNHQW-VIFPVBQESA-N -1 1 351.746 2.546 20 5 FFBDMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194410332 510350492 /nfs/dbraw/zinc/35/04/92/510350492.db2.gz JKRILPIBXYIGLV-XJKSGUPXSA-N -1 1 357.366 2.593 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000174989125 510422802 /nfs/dbraw/zinc/42/28/02/510422802.db2.gz YSLSILZLFHPNHD-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188437543 510767343 /nfs/dbraw/zinc/76/73/43/510767343.db2.gz YEWQQPZBXGUVAS-JTQLQIEISA-N -1 1 355.354 2.556 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ncccc2Br)ccc1[N+](=O)[O-] ZINC000178797595 510777049 /nfs/dbraw/zinc/77/70/49/510777049.db2.gz QRUTYWFROOEXAT-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000279293565 511033498 /nfs/dbraw/zinc/03/34/98/511033498.db2.gz PQJJEPDRFWBIOB-RXMQYKEDSA-N -1 1 362.289 2.662 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295098530 511281698 /nfs/dbraw/zinc/28/16/98/511281698.db2.gz GCIIAOOJGCFGQH-YUMQZZPRSA-N -1 1 369.226 2.747 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C[C@H](C)O ZINC000295325020 511363356 /nfs/dbraw/zinc/36/33/56/511363356.db2.gz WTKWWZCRPMBVDP-SFYZADRCSA-N -1 1 371.242 2.587 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000291865247 511369967 /nfs/dbraw/zinc/36/99/67/511369967.db2.gz FOFHMVKJVJIXFG-UHFFFAOYSA-N -1 1 353.400 2.549 20 5 FFBDMM C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298955315 511464723 /nfs/dbraw/zinc/46/47/23/511464723.db2.gz JCRZNPDUHZXLKX-STQMWFEESA-N -1 1 358.398 2.784 20 5 FFBDMM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295829196 511528667 /nfs/dbraw/zinc/52/86/67/511528667.db2.gz VLYVWNUFSNEWCK-QMMMGPOBSA-N -1 1 371.242 2.731 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2c(F)cccc2F)CC1 ZINC000365769768 511644837 /nfs/dbraw/zinc/64/48/37/511644837.db2.gz PHBYMHDERKCWPJ-UHFFFAOYSA-N -1 1 361.304 2.903 20 5 FFBDMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000327665838 511879010 /nfs/dbraw/zinc/87/90/10/511879010.db2.gz IURFYCCLJXTWHA-UHFFFAOYSA-N -1 1 368.342 2.795 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000328138085 511886177 /nfs/dbraw/zinc/88/61/77/511886177.db2.gz KWWKOXHWYCOBPL-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000274904280 511983299 /nfs/dbraw/zinc/98/32/99/511983299.db2.gz QXPVNBSKRPJJLD-SNVBAGLBSA-N -1 1 370.365 2.535 20 5 FFBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675339 513938961 /nfs/dbraw/zinc/93/89/61/513938961.db2.gz UOGZXOCNBFSRLE-OAHLLOKOSA-N -1 1 355.394 2.695 20 5 FFBDMM Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432207381 514126884 /nfs/dbraw/zinc/12/68/84/514126884.db2.gz XQDQKVLARNZVBU-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1F ZINC000427331680 514184909 /nfs/dbraw/zinc/18/49/09/514184909.db2.gz QIVPKGQCAQJILW-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000432676135 514259539 /nfs/dbraw/zinc/25/95/39/514259539.db2.gz NEWWOOLYLSTEHX-VIFPVBQESA-N -1 1 364.383 2.532 20 5 FFBDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000432676135 514259546 /nfs/dbraw/zinc/25/95/46/514259546.db2.gz NEWWOOLYLSTEHX-VIFPVBQESA-N -1 1 364.383 2.532 20 5 FFBDMM O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccc([O-])cc3F)no1)OCCO2 ZINC000445459039 514482299 /nfs/dbraw/zinc/48/22/99/514482299.db2.gz XAILXGHDPOZFRC-UHFFFAOYSA-N -1 1 373.296 2.852 20 5 FFBDMM COc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc([N+](=O)[O-])c1OC ZINC000439121502 514497158 /nfs/dbraw/zinc/49/71/58/514497158.db2.gz VLERGYMULFKJOD-UHFFFAOYSA-N -1 1 374.378 2.738 20 5 FFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000479557192 514630373 /nfs/dbraw/zinc/63/03/73/514630373.db2.gz SPDNCEPPAXKEQL-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508098953 514668645 /nfs/dbraw/zinc/66/86/45/514668645.db2.gz XQVCCLNBVSWAEX-UHFFFAOYSA-N -1 1 364.370 2.850 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)c1 ZINC000484574789 514698174 /nfs/dbraw/zinc/69/81/74/514698174.db2.gz QBBLPBPMOPFXRJ-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc12 ZINC000468211778 515265048 /nfs/dbraw/zinc/26/50/48/515265048.db2.gz QUAGPSGBCSAGEH-UHFFFAOYSA-N -1 1 369.333 2.880 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1C ZINC000474425135 516040530 /nfs/dbraw/zinc/04/05/30/516040530.db2.gz DVYOALWUHCIADN-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000501455086 516111152 /nfs/dbraw/zinc/11/11/52/516111152.db2.gz ZJDYGTSVSOMWSI-PSASIEDQSA-N -1 1 370.761 2.687 20 5 FFBDMM COc1ccc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1F ZINC000507179326 516111921 /nfs/dbraw/zinc/11/19/21/516111921.db2.gz JIPCNVVJEQBDOC-XYPYZODXSA-N -1 1 361.329 2.519 20 5 FFBDMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000488237078 516171505 /nfs/dbraw/zinc/17/15/05/516171505.db2.gz RIZNPLTWZMFUDK-UHFFFAOYSA-N -1 1 364.379 2.745 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000535655454 516436535 /nfs/dbraw/zinc/43/65/35/516436535.db2.gz PCEDPVTUKRBPGS-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000543855731 516463248 /nfs/dbraw/zinc/46/32/48/516463248.db2.gz MYJXWLBRNJUQMI-UHFFFAOYSA-N -1 1 352.368 2.551 20 5 FFBDMM CS[C@@H]1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc21 ZINC000545089483 517049009 /nfs/dbraw/zinc/04/90/09/517049009.db2.gz WNOGKSUUZBTKBG-LBPRGKRZSA-N -1 1 357.351 2.996 20 5 FFBDMM C[C@H](c1ccncc1)N1CCC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000519611840 517079107 /nfs/dbraw/zinc/07/91/07/517079107.db2.gz WMJGBVFMWUTQFT-GFCCVEGCSA-N -1 1 371.397 2.721 20 5 FFBDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000559406777 517239746 /nfs/dbraw/zinc/23/97/46/517239746.db2.gz SNBYBCGNWNIFCD-UHFFFAOYSA-N -1 1 357.338 2.580 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCC(F)(F)F)n3)no2)[n-]1 ZINC000546468677 517691929 /nfs/dbraw/zinc/69/19/29/517691929.db2.gz PCUNYZPDYTVCAJ-UHFFFAOYSA-N -1 1 355.232 2.976 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000563499446 517938657 /nfs/dbraw/zinc/93/86/57/517938657.db2.gz FQVZJCNBEXRKCH-IBGZPJMESA-N -1 1 360.385 2.867 20 5 FFBDMM CN1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccc(Br)cc21 ZINC000563740008 518101289 /nfs/dbraw/zinc/10/12/89/518101289.db2.gz PRIOKSYMMYZXGJ-UHFFFAOYSA-N -1 1 365.187 2.782 20 5 FFBDMM COCc1ccccc1CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000572639658 518290634 /nfs/dbraw/zinc/29/06/34/518290634.db2.gz QSKROXIVPVLHOX-UHFFFAOYSA-N -1 1 350.396 2.992 20 5 FFBDMM COc1cc(CN2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000578756323 518360204 /nfs/dbraw/zinc/36/02/04/518360204.db2.gz OIDOIYKQRLXEOU-JTQLQIEISA-N -1 1 360.313 2.644 20 5 FFBDMM COc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000564965770 518719297 /nfs/dbraw/zinc/71/92/97/518719297.db2.gz UXVSKQAIBSLMKM-ZJUUUORDSA-N -1 1 374.340 2.890 20 5 FFBDMM CC[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000570725372 518749568 /nfs/dbraw/zinc/74/95/68/518749568.db2.gz UDRBJGMLYPGDLQ-INIZCTEOSA-N -1 1 370.409 2.789 20 5 FFBDMM COC[C@]1(C(=O)[O-])CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000567983492 518815413 /nfs/dbraw/zinc/81/54/13/518815413.db2.gz KBGBHPMFODMKMK-SFHVURJKSA-N -1 1 359.382 2.769 20 5 FFBDMM CSc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000572006394 519395182 /nfs/dbraw/zinc/39/51/82/519395182.db2.gz FVXQRYPFRLTJEW-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM CN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000581219976 519582814 /nfs/dbraw/zinc/58/28/14/519582814.db2.gz GUYDYCNSZZYESS-UHFFFAOYSA-N -1 1 370.337 2.783 20 5 FFBDMM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000608931694 520162563 /nfs/dbraw/zinc/16/25/63/520162563.db2.gz IITHNEAORRBKHZ-UHFFFAOYSA-N -1 1 368.396 2.582 20 5 FFBDMM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609133797 520201258 /nfs/dbraw/zinc/20/12/58/520201258.db2.gz OJBFJAWWXBODSY-MRVPVSSYSA-N -1 1 351.222 2.824 20 5 FFBDMM CC(C)Cc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000603941404 520410710 /nfs/dbraw/zinc/41/07/10/520410710.db2.gz OXAXMHRFJWKVNX-UHFFFAOYSA-N -1 1 350.356 2.626 20 5 FFBDMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000600837681 520495282 /nfs/dbraw/zinc/49/52/82/520495282.db2.gz ZZSITSZZWLONAT-MQMHXKEQSA-N -1 1 351.403 2.799 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2ccncc2)cc1 ZINC000610264707 520609169 /nfs/dbraw/zinc/60/91/69/520609169.db2.gz IWCKKYUSZQWENK-UHFFFAOYSA-N -1 1 370.390 2.530 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OCC2CCCCC2)CC1 ZINC000610356897 520647759 /nfs/dbraw/zinc/64/77/59/520647759.db2.gz CGDRQDMYMRQZKS-UHFFFAOYSA-N -1 1 363.414 2.897 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 ZINC000599376916 521184254 /nfs/dbraw/zinc/18/42/54/521184254.db2.gz YPJBUPLAAHDCIP-DDTOSNHZSA-N -1 1 370.839 2.926 20 5 FFBDMM COC[C@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744700 521187728 /nfs/dbraw/zinc/18/77/28/521187728.db2.gz SJXPOGHOFQCBRX-KRWDZBQOSA-N -1 1 358.394 2.983 20 5 FFBDMM O=C([O-])[C@@H]1CC12CCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000593747352 521189761 /nfs/dbraw/zinc/18/97/61/521189761.db2.gz XBRGEDBONZREHA-HNNXBMFYSA-N -1 1 357.366 2.937 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000619466260 521582659 /nfs/dbraw/zinc/58/26/59/521582659.db2.gz FAXMJBADVUJOHP-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000619872460 521914301 /nfs/dbraw/zinc/91/43/01/521914301.db2.gz OVULEPPXBZGBHZ-UHFFFAOYSA-N -1 1 360.370 2.628 20 5 FFBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1sccc1-c1nn[n-]n1 ZINC000738229785 599062908 /nfs/dbraw/zinc/06/29/08/599062908.db2.gz ACNVBGQREAULGV-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000738251103 600244315 /nfs/dbraw/zinc/24/43/15/600244315.db2.gz HXTWAZCFBLOKNP-UHFFFAOYSA-N -1 1 367.321 2.639 20 5 FFBDMM O=C([O-])c1cc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000738672092 600273302 /nfs/dbraw/zinc/27/33/02/600273302.db2.gz CPIOIFIRAUEWQU-QGZVFWFLSA-N -1 1 370.361 2.724 20 5 FFBDMM Cc1cc(N2CCN(Cc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891539 601544735 /nfs/dbraw/zinc/54/47/35/601544735.db2.gz YCTJIXHQICBENX-UHFFFAOYSA-N -1 1 355.394 2.924 20 5 FFBDMM CN(c1ccccc1)c1ccc(CNC2CN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830888659 604420286 /nfs/dbraw/zinc/42/02/86/604420286.db2.gz VRKZLJTZXYNDAC-UHFFFAOYSA-N -1 1 356.382 2.815 20 5 FFBDMM Cc1nn(CN2CCC([C@H](C)NC(=O)[O-])CC2)c2ccc([N+](=O)[O-])cc12 ZINC000830871036 604736694 /nfs/dbraw/zinc/73/66/94/604736694.db2.gz PHKSWEBLEFSRNS-NSHDSACASA-N -1 1 361.402 2.579 20 5 FFBDMM O=C([O-])N1CCc2c(cccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000834052871 605782050 /nfs/dbraw/zinc/78/20/50/605782050.db2.gz IVJGZMKGNNWJHY-UHFFFAOYSA-N -1 1 357.322 2.589 20 5 FFBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000820767130 606645425 /nfs/dbraw/zinc/64/54/25/606645425.db2.gz GKTCOXQEVQFTTB-YVEFUNNKSA-N -1 1 366.381 2.741 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(N2CCCC2)c1 ZINC000823624951 606701758 /nfs/dbraw/zinc/70/17/58/606701758.db2.gz MABZSIUDXLOSIZ-UHFFFAOYSA-N -1 1 352.358 2.514 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(N2CCCC2)c1 ZINC000823624951 606701760 /nfs/dbraw/zinc/70/17/60/606701760.db2.gz MABZSIUDXLOSIZ-UHFFFAOYSA-N -1 1 352.358 2.514 20 5 FFBDMM CN(CCc1ccc(Cl)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821604892 606710977 /nfs/dbraw/zinc/71/09/77/606710977.db2.gz LYXWHOAWPAOKBQ-UHFFFAOYSA-N -1 1 359.777 2.502 20 5 FFBDMM CN(CCc1ccc(Cl)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821604892 606710978 /nfs/dbraw/zinc/71/09/78/606710978.db2.gz LYXWHOAWPAOKBQ-UHFFFAOYSA-N -1 1 359.777 2.502 20 5 FFBDMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820643627 606714559 /nfs/dbraw/zinc/71/45/59/606714559.db2.gz XSDVGBVRKCCGPM-TZMCWYRMSA-N -1 1 365.397 2.627 20 5 FFBDMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820643627 606714561 /nfs/dbraw/zinc/71/45/61/606714561.db2.gz XSDVGBVRKCCGPM-TZMCWYRMSA-N -1 1 365.397 2.627 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1SCCc2ccccc21 ZINC000823624506 606715929 /nfs/dbraw/zinc/71/59/29/606715929.db2.gz ARHJYRKYNWAJKH-CYBMUJFWSA-N -1 1 369.410 2.612 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1SCCc2ccccc21 ZINC000823624506 606715931 /nfs/dbraw/zinc/71/59/31/606715931.db2.gz ARHJYRKYNWAJKH-CYBMUJFWSA-N -1 1 369.410 2.612 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1C ZINC000820908508 606716891 /nfs/dbraw/zinc/71/68/91/606716891.db2.gz MUVIMVSSABOEML-GFCCVEGCSA-N -1 1 369.385 2.748 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1C ZINC000820908508 606716892 /nfs/dbraw/zinc/71/68/92/606716892.db2.gz MUVIMVSSABOEML-GFCCVEGCSA-N -1 1 369.385 2.748 20 5 FFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000820461084 606718114 /nfs/dbraw/zinc/71/81/14/606718114.db2.gz FALIWUITXLZPLU-HFBDOXOYSA-N -1 1 367.369 2.535 20 5 FFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000820461084 606718116 /nfs/dbraw/zinc/71/81/16/606718116.db2.gz FALIWUITXLZPLU-HFBDOXOYSA-N -1 1 367.369 2.535 20 5 FFBDMM CCC(CC)[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000825106539 609322287 /nfs/dbraw/zinc/32/22/87/609322287.db2.gz FVRSIHODOSIERN-WCQYABFASA-N -1 1 361.406 2.566 20 5 FFBDMM CCC(CC)[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000825106539 609322289 /nfs/dbraw/zinc/32/22/89/609322289.db2.gz FVRSIHODOSIERN-WCQYABFASA-N -1 1 361.406 2.566 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000076308362 728259629 /nfs/dbraw/zinc/25/96/29/728259629.db2.gz RYALIHCXMFOXBZ-JTQLQIEISA-N -1 1 361.217 2.744 20 5 FFBDMM CCOc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101570691 728486403 /nfs/dbraw/zinc/48/64/03/728486403.db2.gz NTDOELJOVOIPHN-UHFFFAOYSA-N -1 1 371.802 2.520 20 5 FFBDMM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000107707307 728517392 /nfs/dbraw/zinc/51/73/92/728517392.db2.gz FUJQPYFCNFHFFM-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)s1 ZINC000121579816 728631413 /nfs/dbraw/zinc/63/14/13/728631413.db2.gz WGFIVJXEWSKKIR-UHFFFAOYSA-N -1 1 373.359 2.610 20 5 FFBDMM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124154067 728667320 /nfs/dbraw/zinc/66/73/20/728667320.db2.gz JBRAWSZIVZNHLH-LLVKDONJSA-N -1 1 364.851 2.571 20 5 FFBDMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124261744 728668438 /nfs/dbraw/zinc/66/84/38/728668438.db2.gz VQXIJUKSRRFDSD-UHFFFAOYSA-N -1 1 364.851 2.715 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000170735038 728988040 /nfs/dbraw/zinc/98/80/40/728988040.db2.gz GILVEAWFOKEXSG-ZDUSSCGKSA-N -1 1 370.814 2.914 20 5 FFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000859322777 730450202 /nfs/dbraw/zinc/45/02/02/730450202.db2.gz GWLKREAMEIMPQK-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)OCO2 ZINC000781116038 738599844 /nfs/dbraw/zinc/59/98/44/738599844.db2.gz XLNWANACWKANOL-UHFFFAOYSA-N -1 1 368.342 2.880 20 5 FFBDMM CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2Cl)CC1 ZINC000749223324 735705311 /nfs/dbraw/zinc/70/53/11/735705311.db2.gz MDHMPXWNDLQHDY-UHFFFAOYSA-N -1 1 363.805 2.580 20 5 FFBDMM CC(C)CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000755991503 736296592 /nfs/dbraw/zinc/29/65/92/736296592.db2.gz UYNCZFUCQOJOTF-UHFFFAOYSA-N -1 1 352.865 2.916 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(F)c1 ZINC000758446503 736489203 /nfs/dbraw/zinc/48/92/03/736489203.db2.gz QMWSGHVVZZLEBS-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000763087957 736900686 /nfs/dbraw/zinc/90/06/86/736900686.db2.gz VDUVKAOKFYEIMW-UHFFFAOYSA-N -1 1 356.379 2.929 20 5 FFBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000910454461 737076805 /nfs/dbraw/zinc/07/68/05/737076805.db2.gz DCJSLQUULFJQLT-SNVBAGLBSA-N -1 1 361.320 2.599 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccccc1Cl ZINC000769050421 737489774 /nfs/dbraw/zinc/48/97/74/737489774.db2.gz VYIWQYCVEPRCAW-UHFFFAOYSA-N -1 1 350.714 2.749 20 5 FFBDMM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000775741500 738120311 /nfs/dbraw/zinc/12/03/11/738120311.db2.gz RUKHYEREOOASOJ-BZHVJNSISA-N -1 1 362.835 2.586 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccnc2)c(Cl)cc1Cl ZINC000791412023 739560779 /nfs/dbraw/zinc/56/07/79/739560779.db2.gz ROCYFPBBFDMMOM-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421087 739561969 /nfs/dbraw/zinc/56/19/69/739561969.db2.gz FMAIIEZPRWUTOW-QMMMGPOBSA-N -1 1 371.242 2.587 20 5 FFBDMM O=C(OCc1cccc(Br)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000795476981 740028437 /nfs/dbraw/zinc/02/84/37/740028437.db2.gz QWCSUWRKELFIIW-UHFFFAOYSA-N -1 1 353.128 2.815 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] ZINC000808125240 741189964 /nfs/dbraw/zinc/18/99/64/741189964.db2.gz PFAGZTJZTWDBJQ-UHFFFAOYSA-N -1 1 362.363 2.683 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCCO2)cc1Cl ZINC000809833490 741350962 /nfs/dbraw/zinc/35/09/62/741350962.db2.gz SRADBHWKIJMMPD-SECBINFHSA-N -1 1 366.798 2.625 20 5 FFBDMM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832461 741351163 /nfs/dbraw/zinc/35/11/63/741351163.db2.gz PGSCXLPBSCPPEH-KRTXAFLBSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809834353 741351397 /nfs/dbraw/zinc/35/13/97/741351397.db2.gz GAQZJWBCZFYZAL-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815003619 741880368 /nfs/dbraw/zinc/88/03/68/741880368.db2.gz CAWBEXNPCJFAJL-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000820723915 742540676 /nfs/dbraw/zinc/54/06/76/742540676.db2.gz LZYTVUULHRCZPW-UHFFFAOYSA-N -1 1 366.370 2.674 20 5 FFBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830563206 745381880 /nfs/dbraw/zinc/38/18/80/745381880.db2.gz FUYABPRCMDHFPP-ZCFIWIBFSA-N -1 1 359.256 2.931 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000831920648 745605907 /nfs/dbraw/zinc/60/59/07/745605907.db2.gz QSSWCJKNQWFYLL-BXKDBHETSA-N -1 1 354.409 2.847 20 5 FFBDMM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000841564103 747402653 /nfs/dbraw/zinc/40/26/53/747402653.db2.gz LQSIBZFHZZREHJ-MRVPVSSYSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845984386 748373651 /nfs/dbraw/zinc/37/36/51/748373651.db2.gz WSMCWOZEAXEHBF-NEPJUHHUSA-N -1 1 354.762 2.717 20 5 FFBDMM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001595249930 949547780 /nfs/dbraw/zinc/54/77/80/949547780.db2.gz UDHBHLYRPRSMGS-UHFFFAOYSA-N -1 1 352.306 2.935 20 5 FFBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000748067994 959125544 /nfs/dbraw/zinc/12/55/44/959125544.db2.gz NCQKWPJOPKOZFW-UHFFFAOYSA-N -1 1 373.390 2.985 20 5 FFBDMM C[C@@H](CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC001592592711 978521356 /nfs/dbraw/zinc/52/13/56/978521356.db2.gz PNGVDIDZUTYRKM-AWEZNQCLSA-N -1 1 371.393 2.756 20 5 FFBDMM CCOc1cc(CN[C@](C)(CC(=O)[O-])c2cccnc2)ccc1[N+](=O)[O-] ZINC001597035647 986471901 /nfs/dbraw/zinc/47/19/01/986471901.db2.gz MGDDHTSNNAKMFK-GOSISDBHSA-N -1 1 359.382 2.868 20 5 FFBDMM C[C@@H](O[N-]C(=O)CCCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772897695 997676201 /nfs/dbraw/zinc/67/62/01/997676201.db2.gz QJNJBMVSPKLLHP-CQSZACIVSA-N -1 1 371.393 2.993 20 5 FFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731529563 997989722 /nfs/dbraw/zinc/98/97/22/997989722.db2.gz XWTAEYAGKIVXMN-UHFFFAOYSA-N -1 1 359.265 2.903 20 5 FFBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000732216773 998540282 /nfs/dbraw/zinc/54/02/82/998540282.db2.gz XPRJEEHZVYUWHC-UHFFFAOYSA-N -1 1 373.390 2.985 20 5 FFBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001594209329 998809780 /nfs/dbraw/zinc/80/97/80/998809780.db2.gz CKUFMVACWPTMFX-QWRGUYRKSA-N -1 1 360.370 2.718 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000744823555 999878186 /nfs/dbraw/zinc/87/81/86/999878186.db2.gz LHZBEXHCFKTTPE-UHFFFAOYSA-N -1 1 362.313 2.624 20 5 FFBDMM Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769046798 1000413019 /nfs/dbraw/zinc/41/30/19/1000413019.db2.gz MBTZYQBMALWZRF-ZDUSSCGKSA-N -1 1 372.377 2.951 20 5 FFBDMM CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184109211 1002491005 /nfs/dbraw/zinc/49/10/05/1002491005.db2.gz RGAPSNKIKRTJMG-CYBMUJFWSA-N -1 1 368.393 2.938 20 5 FFBDMM CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000882383592 1006372450 /nfs/dbraw/zinc/37/24/50/1006372450.db2.gz TUQZIFGRBXPYML-NSHDSACASA-N -1 1 373.331 2.692 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(F)cc1[N+](=O)[O-] ZINC001188182708 1006441685 /nfs/dbraw/zinc/44/16/85/1006441685.db2.gz AJSIKQNDWPUZFD-SECBINFHSA-N -1 1 352.334 2.899 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001189823866 1007294076 /nfs/dbraw/zinc/29/40/76/1007294076.db2.gz YABKCLDENMFMBS-STQMWFEESA-N -1 1 372.491 2.942 20 5 FFBDMM O=Cc1ccc(OCC(=O)Nc2cc(F)c([O-])cc2Cl)c([N+](=O)[O-])c1 ZINC001179656560 1009386561 /nfs/dbraw/zinc/38/65/61/1009386561.db2.gz SKZXORYTYWJRAV-UHFFFAOYSA-N -1 1 368.704 2.923 20 5 FFBDMM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000801202595 1018732703 /nfs/dbraw/zinc/73/27/03/1018732703.db2.gz HGIVFENPBDAYCL-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 ZINC000780068606 1019399893 /nfs/dbraw/zinc/39/98/93/1019399893.db2.gz LEPCUDLQKIFJOS-QGZVFWFLSA-N -1 1 370.361 2.651 20 5 FFBDMM Cc1ccc(N2CCC[C@H](OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000780070250 1019461313 /nfs/dbraw/zinc/46/13/13/1019461313.db2.gz VVDRYGFUHUZDOO-KRWDZBQOSA-N -1 1 370.361 2.961 20 5 FFBDMM C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780076011 1019644654 /nfs/dbraw/zinc/64/46/54/1019644654.db2.gz OKBYMSGEZMTPAG-QWHCGFSZSA-N -1 1 372.377 2.766 20 5 FFBDMM O=c1nc2c(c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)[n-]1)COC2 ZINC001227686965 1035672518 /nfs/dbraw/zinc/67/25/18/1035672518.db2.gz XZSYEYPEMCKKTE-LLVKDONJSA-N -1 1 357.244 2.803 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@@H]3COCO3)c([N+](=O)[O-])c2)cc1 ZINC001227703566 1035686055 /nfs/dbraw/zinc/68/60/55/1035686055.db2.gz WAXGOKFGWHZJTD-AWEZNQCLSA-N -1 1 359.334 2.592 20 5 FFBDMM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142586 1035957714 /nfs/dbraw/zinc/95/77/14/1035957714.db2.gz FOZOSLBZYRZXBN-QWRGUYRKSA-N -1 1 368.390 2.505 20 5 FFBDMM O=c1[n-]cnc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001228140081 1035957840 /nfs/dbraw/zinc/95/78/40/1035957840.db2.gz FPYUXCDFYWOCFK-SECBINFHSA-N -1 1 360.204 2.681 20 5 FFBDMM CC[C@H](C)OC(=O)N1CCCC[C@H]1CCOc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141477 1035958650 /nfs/dbraw/zinc/95/86/50/1035958650.db2.gz QTSVEOPQBAFGDG-RYUDHWBXSA-N -1 1 368.390 2.649 20 5 FFBDMM Cc1cc([O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC001229750581 1036871622 /nfs/dbraw/zinc/87/16/22/1036871622.db2.gz OBODCKJPSRMOOT-LLVKDONJSA-N -1 1 366.370 2.914 20 5 FFBDMM CC1(C)OC[C@H](COc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)O1 ZINC001234748605 1037164897 /nfs/dbraw/zinc/16/48/97/1037164897.db2.gz UERYJOWCGOYVEV-NSHDSACASA-N -1 1 358.346 2.888 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC001231258802 1037513351 /nfs/dbraw/zinc/51/33/51/1037513351.db2.gz CPVDNDHVXKYJHW-MRVPVSSYSA-N -1 1 363.282 2.781 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)n1 ZINC001231259217 1037514482 /nfs/dbraw/zinc/51/44/82/1037514482.db2.gz HLTUQMVAKFGIFL-WZRBSPASSA-N -1 1 365.386 2.781 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)cc1F ZINC001208430711 1038310156 /nfs/dbraw/zinc/31/01/56/1038310156.db2.gz ATKNBAJDMJTZNV-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)cc1F ZINC001213212070 1040342121 /nfs/dbraw/zinc/34/21/21/1040342121.db2.gz ZWEAUZDUQWNJGH-NSHDSACASA-N -1 1 352.334 2.612 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC3(CCC3)O2)cc1F ZINC001213907931 1041063757 /nfs/dbraw/zinc/06/37/57/1041063757.db2.gz XWHRDJVVXBCOKZ-GFCCVEGCSA-N -1 1 372.418 2.812 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC001309715502 1043493243 /nfs/dbraw/zinc/49/32/43/1043493243.db2.gz CLPDLPRXFNGFGG-ZDUSSCGKSA-N -1 1 362.835 2.732 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001326620169 1047002718 /nfs/dbraw/zinc/00/27/18/1047002718.db2.gz HIBLPBIJGXEEHY-LBPRGKRZSA-N -1 1 372.337 2.623 20 5 FFBDMM CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2C1 ZINC001540748984 1070985637 /nfs/dbraw/zinc/98/56/37/1070985637.db2.gz NWAHOIZMLBPJIJ-INIZCTEOSA-N -1 1 369.421 2.867 20 5 FFBDMM CSc1ncc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(=O)[n-]1 ZINC001294687748 1049794212 /nfs/dbraw/zinc/79/42/12/1049794212.db2.gz RGOYFYCALIPGBZ-UHFFFAOYSA-N -1 1 360.395 2.617 20 5 FFBDMM O=C([N-]Cc1noc(-c2ccco2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001303576586 1051392905 /nfs/dbraw/zinc/39/29/05/1051392905.db2.gz WPFCEMUVMWQGIO-UHFFFAOYSA-N -1 1 364.264 2.646 20 5 FFBDMM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001460265973 1060934720 /nfs/dbraw/zinc/93/47/20/1060934720.db2.gz GHDCJTYJRGGAAL-UHFFFAOYSA-N -1 1 372.362 2.947 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)n(-c3ccccc3)n2)c1 ZINC001460271942 1060939253 /nfs/dbraw/zinc/93/92/53/1060939253.db2.gz BZWYYBNPJXDOOD-UHFFFAOYSA-N -1 1 353.338 2.745 20 5 FFBDMM C[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793229 1078168984 /nfs/dbraw/zinc/16/89/84/1078168984.db2.gz PMFJSDLZJBCANL-INIZCTEOSA-N -1 1 372.410 2.736 20 5 FFBDMM C[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793229 1078168985 /nfs/dbraw/zinc/16/89/85/1078168985.db2.gz PMFJSDLZJBCANL-INIZCTEOSA-N -1 1 372.410 2.736 20 5 FFBDMM CCCOC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCC1 ZINC001577687223 1078388104 /nfs/dbraw/zinc/38/81/04/1078388104.db2.gz XRMGONFSXRBTIO-UHFFFAOYSA-N -1 1 361.406 2.711 20 5 FFBDMM CCCOC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCC1 ZINC001577687223 1078388108 /nfs/dbraw/zinc/38/81/08/1078388108.db2.gz XRMGONFSXRBTIO-UHFFFAOYSA-N -1 1 361.406 2.711 20 5 FFBDMM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335531 1078465509 /nfs/dbraw/zinc/46/55/09/1078465509.db2.gz RWNYUGBIOFYBIK-MNOVXSKESA-N -1 1 350.404 2.596 20 5 FFBDMM CCO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335531 1078465512 /nfs/dbraw/zinc/46/55/12/1078465512.db2.gz RWNYUGBIOFYBIK-MNOVXSKESA-N -1 1 350.404 2.596 20 5 FFBDMM Cc1cc(F)c(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001561087285 1076330660 /nfs/dbraw/zinc/33/06/60/1076330660.db2.gz NCJCBYMAGRKLFJ-UHFFFAOYSA-N -1 1 371.365 2.572 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)cc1F ZINC001561606933 1076397942 /nfs/dbraw/zinc/39/79/42/1076397942.db2.gz QUNFRAXFNOZQDV-ZDUSSCGKSA-N -1 1 374.434 2.509 20 5 FFBDMM CC(C)(C)OCc1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)no1 ZINC001589198323 1080411602 /nfs/dbraw/zinc/41/16/02/1080411602.db2.gz FLMMCVICNFCPSI-UHFFFAOYSA-N -1 1 373.373 2.690 20 5 FFBDMM C[C@@H](O)C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994988 1080927496 /nfs/dbraw/zinc/92/74/96/1080927496.db2.gz BAIAZNPHZAJJSZ-OCCSQVGLSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@@H](O)C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994988 1080927502 /nfs/dbraw/zinc/92/75/02/1080927502.db2.gz BAIAZNPHZAJJSZ-OCCSQVGLSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@H](c1ccc(C(F)(F)F)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590040815 1080966136 /nfs/dbraw/zinc/96/61/36/1080966136.db2.gz ZRPHDHPJLCETHZ-SSDOTTSWSA-N -1 1 353.264 2.600 20 5 FFBDMM CC1(C)CCC[C@@](O)(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590096594 1081008361 /nfs/dbraw/zinc/00/83/61/1081008361.db2.gz HTYDPUAWTCBTPP-HNNXBMFYSA-N -1 1 366.447 2.970 20 5 FFBDMM CC1(C)CCC[C@@](O)(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590096594 1081008354 /nfs/dbraw/zinc/00/83/54/1081008354.db2.gz HTYDPUAWTCBTPP-HNNXBMFYSA-N -1 1 366.447 2.970 20 5 FFBDMM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000451676843 513904912 /nfs/dbraw/zinc/90/49/12/513904912.db2.gz TWZCBDJCDIWJSP-SKDRFNHKSA-N -1 1 350.824 2.588 20 5 FFBDMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000176897553 509751739 /nfs/dbraw/zinc/75/17/39/509751739.db2.gz CNQVRISAAYSXRO-NXEZZACHSA-N -1 1 350.487 2.999 20 5 FFBDMM CCCOc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032797888 506297439 /nfs/dbraw/zinc/29/74/39/506297439.db2.gz HZOLYRDIYMNHLL-UHFFFAOYSA-N -1 1 352.368 2.890 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000373191623 512213802 /nfs/dbraw/zinc/21/38/02/512213802.db2.gz FXRGIZIOSNGRIP-UHFFFAOYSA-N -1 1 360.757 2.673 20 5 FFBDMM COCCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055640311 506811213 /nfs/dbraw/zinc/81/12/13/506811213.db2.gz SCOHDCCUVWPAPR-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Br)cc1 ZINC000015611541 507051238 /nfs/dbraw/zinc/05/12/38/507051238.db2.gz CCJXKCDVENQGBG-QMMMGPOBSA-N -1 1 366.171 2.949 20 5 FFBDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000111363798 508094513 /nfs/dbraw/zinc/09/45/13/508094513.db2.gz BKJXVVSEWDBTIN-SECBINFHSA-N -1 1 371.440 2.662 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)ccc1[N+](=O)[O-] ZINC000093909270 508160098 /nfs/dbraw/zinc/16/00/98/508160098.db2.gz SOGPVQNWSRKORO-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM CCOC(=O)C(C)(C)n1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000134181191 508504467 /nfs/dbraw/zinc/50/44/67/508504467.db2.gz IKBYAGOVDHQHEJ-UHFFFAOYSA-N -1 1 363.330 2.741 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)s1 ZINC000134465821 508536077 /nfs/dbraw/zinc/53/60/77/508536077.db2.gz YZHVFQHXBOOXDP-ZOWXZIJZSA-N -1 1 350.421 2.521 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000157672431 508595265 /nfs/dbraw/zinc/59/52/65/508595265.db2.gz UQAJDAQLLVJIKD-QMMMGPOBSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000119500509 508808303 /nfs/dbraw/zinc/80/83/03/508808303.db2.gz QCQIZNWLARNKDE-UHFFFAOYSA-N -1 1 356.787 2.606 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000124614420 508859203 /nfs/dbraw/zinc/85/92/03/508859203.db2.gz CJGCZMWNQHGQIX-UHFFFAOYSA-N -1 1 374.378 2.590 20 5 FFBDMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125437636 508982709 /nfs/dbraw/zinc/98/27/09/508982709.db2.gz HKNLSJXKUUHKCB-LLVKDONJSA-N -1 1 362.773 2.675 20 5 FFBDMM Cc1cc2cccnc2c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000132810209 509077925 /nfs/dbraw/zinc/07/79/25/509077925.db2.gz UFCNMTUOVWSQCF-UHFFFAOYSA-N -1 1 359.363 2.958 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000126762884 509124787 /nfs/dbraw/zinc/12/47/87/509124787.db2.gz IBDFCDISSDEASI-UHFFFAOYSA-N -1 1 368.415 2.716 20 5 FFBDMM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000188941722 509335542 /nfs/dbraw/zinc/33/55/42/509335542.db2.gz DZWYXLSAXJNTQL-UHFFFAOYSA-N -1 1 370.452 2.965 20 5 FFBDMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000185791606 509358404 /nfs/dbraw/zinc/35/84/04/509358404.db2.gz AXLRYSHZWAUATE-UONOGXRCSA-N -1 1 351.403 2.751 20 5 FFBDMM Cc1ccc(-c2nnc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)s2)c(C)c1 ZINC000164064978 509459220 /nfs/dbraw/zinc/45/92/20/509459220.db2.gz XJGMPTVOFQEBPH-UHFFFAOYSA-N -1 1 358.383 2.716 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OCc2ccccc2)CC1 ZINC000192765138 509635173 /nfs/dbraw/zinc/63/51/73/509635173.db2.gz GXFPMUCFUSMFHA-UHFFFAOYSA-N -1 1 357.366 2.517 20 5 FFBDMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000186728120 509876456 /nfs/dbraw/zinc/87/64/56/509876456.db2.gz IEVDQIDOFZYSCX-QMMMGPOBSA-N -1 1 359.404 2.581 20 5 FFBDMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186864263 509918327 /nfs/dbraw/zinc/91/83/27/509918327.db2.gz JDAAWBRBSBZESD-UHFFFAOYSA-N -1 1 371.271 2.866 20 5 FFBDMM Cc1c(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000181051962 510258379 /nfs/dbraw/zinc/25/83/79/510258379.db2.gz CISMJOWAPBBFDG-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000174718757 510270082 /nfs/dbraw/zinc/27/00/82/510270082.db2.gz ZPMIISOLJKXQCR-GFCCVEGCSA-N -1 1 359.407 2.950 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000194440696 510366102 /nfs/dbraw/zinc/36/61/02/510366102.db2.gz WCHPNVUFHFUDSM-LLVKDONJSA-N -1 1 368.798 2.530 20 5 FFBDMM CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1C ZINC000282679902 511071438 /nfs/dbraw/zinc/07/14/38/511071438.db2.gz OLROCFSXDZCDMJ-UHFFFAOYSA-N -1 1 356.379 2.676 20 5 FFBDMM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295252742 511337720 /nfs/dbraw/zinc/33/77/20/511337720.db2.gz KQLLSYMJQYUWSA-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000299042797 511494863 /nfs/dbraw/zinc/49/48/63/511494863.db2.gz SHVWYGPJUAJSNG-ZDUSSCGKSA-N -1 1 359.386 2.793 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ncccc2Cl)CC1 ZINC000372942511 513110345 /nfs/dbraw/zinc/11/03/45/513110345.db2.gz MQCXJYIJSGCHKK-UHFFFAOYSA-N -1 1 362.773 2.764 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC000417639532 513131350 /nfs/dbraw/zinc/13/13/50/513131350.db2.gz MILHLKZLOHBNTO-QGZVFWFLSA-N -1 1 360.366 2.615 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@@H](F)C1 ZINC000450601059 513269165 /nfs/dbraw/zinc/26/91/65/513269165.db2.gz PCAQUFTZKDEDNW-GFCCVEGCSA-N -1 1 365.386 2.944 20 5 FFBDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416626839 513875531 /nfs/dbraw/zinc/87/55/31/513875531.db2.gz TYJRGWHTABQKOP-UHFFFAOYSA-N -1 1 350.824 2.730 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C3CC3)cc2)c([N+](=O)[O-])n1 ZINC000416659497 513894200 /nfs/dbraw/zinc/89/42/00/513894200.db2.gz HGADOBPPWPFQKT-NSHDSACASA-N -1 1 364.427 2.728 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(C)cc1[N+](=O)[O-] ZINC000414456966 514127870 /nfs/dbraw/zinc/12/78/70/514127870.db2.gz RPACPRYIBCLULZ-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000432620084 514242559 /nfs/dbraw/zinc/24/25/59/514242559.db2.gz RLWUOQFHOZGGOX-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445136998 514425197 /nfs/dbraw/zinc/42/51/97/514425197.db2.gz NVBHYLLQINVKOR-OTYXRUKQSA-N -1 1 365.773 2.855 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc([N+](=O)[O-])c1 ZINC000438719360 514430265 /nfs/dbraw/zinc/43/02/65/514430265.db2.gz CSKYEXOTAVXCEK-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COc1cc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1SC ZINC000445176513 514435387 /nfs/dbraw/zinc/43/53/87/514435387.db2.gz VJWMRWNEYXETOW-UHFFFAOYSA-N -1 1 363.395 2.698 20 5 FFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC3 ZINC000497961907 514701988 /nfs/dbraw/zinc/70/19/88/514701988.db2.gz XRMKUCVLXDWUGB-NSHDSACASA-N -1 1 366.377 2.772 20 5 FFBDMM Cc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471118277 514758920 /nfs/dbraw/zinc/75/89/20/514758920.db2.gz CJQGHLVTAGLWKW-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000471118581 514760064 /nfs/dbraw/zinc/76/00/64/514760064.db2.gz HPSZJNNRPWDICT-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM CC[C@@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000485369769 515011852 /nfs/dbraw/zinc/01/18/52/515011852.db2.gz BAAYCZTXHGMZDO-SFHVURJKSA-N -1 1 368.349 2.591 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486010139 515296356 /nfs/dbraw/zinc/29/63/56/515296356.db2.gz ZJRIGXXVQZNNMO-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464428711 515820371 /nfs/dbraw/zinc/82/03/71/515820371.db2.gz NOTGHGPYYWGCKA-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CCc1cccc2c(CC[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])c[nH]c21 ZINC000531382827 516441554 /nfs/dbraw/zinc/44/15/54/516441554.db2.gz KXXRRADDNFEKQN-UHFFFAOYSA-N -1 1 374.422 2.555 20 5 FFBDMM COc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000524356243 516701345 /nfs/dbraw/zinc/70/13/45/516701345.db2.gz RGAVNMOBUYCCKI-UHFFFAOYSA-N -1 1 368.349 2.880 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000525601024 517086426 /nfs/dbraw/zinc/08/64/26/517086426.db2.gz GVYNLUSGUJYWSW-LLVKDONJSA-N -1 1 369.399 2.644 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)s1 ZINC000545210169 517108229 /nfs/dbraw/zinc/10/82/29/517108229.db2.gz HTVNYWOMTHQNEA-UHFFFAOYSA-N -1 1 368.436 2.682 20 5 FFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000526049792 517313800 /nfs/dbraw/zinc/31/38/00/517313800.db2.gz CRVABFBCBFNCIR-OAHLLOKOSA-N -1 1 363.439 2.783 20 5 FFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000516075904 517556767 /nfs/dbraw/zinc/55/67/67/517556767.db2.gz JBMDEYMVNATGTN-QWHCGFSZSA-N -1 1 366.414 2.935 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C)[nH]c2c1 ZINC000533946684 517678125 /nfs/dbraw/zinc/67/81/25/517678125.db2.gz JTKPKQCXIVSSRB-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000563208461 517738295 /nfs/dbraw/zinc/73/82/95/517738295.db2.gz XZTXMTLFSFJWFN-GFCCVEGCSA-N -1 1 356.382 2.547 20 5 FFBDMM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000538848006 517807357 /nfs/dbraw/zinc/80/73/57/517807357.db2.gz SVEJUKPWANZGCZ-XPTSAGLGSA-N -1 1 374.415 2.850 20 5 FFBDMM CC(C)Cc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000539597364 518115431 /nfs/dbraw/zinc/11/54/31/518115431.db2.gz PGQGVVXSXLFVJK-UHFFFAOYSA-N -1 1 352.416 2.501 20 5 FFBDMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000567360506 518484628 /nfs/dbraw/zinc/48/46/28/518484628.db2.gz MXQSBDPBXDWGJO-ZFWWWQNUSA-N -1 1 361.423 2.708 20 5 FFBDMM CC(C)(C)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000570417908 518599499 /nfs/dbraw/zinc/59/94/99/518599499.db2.gz XVWKZFLGAFPMRJ-UHFFFAOYSA-N -1 1 367.383 2.719 20 5 FFBDMM COc1cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000564965769 518719445 /nfs/dbraw/zinc/71/94/45/518719445.db2.gz UXVSKQAIBSLMKM-VHSXEESVSA-N -1 1 374.340 2.890 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000571331232 519042539 /nfs/dbraw/zinc/04/25/39/519042539.db2.gz PENMNQRBOCOZAP-UHFFFAOYSA-N -1 1 374.372 2.904 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000590066036 519141128 /nfs/dbraw/zinc/14/11/28/519141128.db2.gz VRLXAYQVULJSSI-ZDUSSCGKSA-N -1 1 372.349 2.888 20 5 FFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CO2 ZINC000566713699 519620075 /nfs/dbraw/zinc/62/00/75/519620075.db2.gz CHQDFZOQMXNQBV-CQSZACIVSA-N -1 1 362.407 2.932 20 5 FFBDMM COc1cc(CN=c2ccc(OCCC(C)C)n[n-]2)cc([N+](=O)[O-])c1O ZINC000594737326 520125046 /nfs/dbraw/zinc/12/50/46/520125046.db2.gz ZHYGSPNGTNLASW-UHFFFAOYSA-N -1 1 362.386 2.558 20 5 FFBDMM Cc1cc([C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000594767977 520146009 /nfs/dbraw/zinc/14/60/09/520146009.db2.gz ZDJMCRBIXODWNA-OAHLLOKOSA-N -1 1 365.386 2.867 20 5 FFBDMM O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609533302 520345811 /nfs/dbraw/zinc/34/58/11/520345811.db2.gz AYIAUFVFDPIDKV-UHFFFAOYSA-N -1 1 362.349 2.809 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598396868 520595504 /nfs/dbraw/zinc/59/55/04/520595504.db2.gz CWSOVDGLAOFVKH-UHFFFAOYSA-N -1 1 369.377 2.695 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000610265246 520611101 /nfs/dbraw/zinc/61/11/01/520611101.db2.gz KPIJXPREDAQPIJ-UHFFFAOYSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1cc(N2CCc3[nH]c4ccccc4c3C2)ccc1-c1nn[n-]n1 ZINC000823635092 607347310 /nfs/dbraw/zinc/34/73/10/607347310.db2.gz RFPQEEIGLWHEQU-UHFFFAOYSA-N -1 1 361.365 2.819 20 5 FFBDMM O=C([O-])Nc1ccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000740019307 600412668 /nfs/dbraw/zinc/41/26/68/600412668.db2.gz CWENBFCQLMSKGR-UHFFFAOYSA-N -1 1 369.337 2.534 20 5 FFBDMM CN(C[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)C(=O)[O-] ZINC000739635285 602861316 /nfs/dbraw/zinc/86/13/16/602861316.db2.gz CTRJGTRRPFIEHC-AWEZNQCLSA-N -1 1 373.413 2.738 20 5 FFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000834179266 605446724 /nfs/dbraw/zinc/44/67/24/605446724.db2.gz GYZYTNAZWIWGEQ-KGYLQXTDSA-N -1 1 360.370 2.604 20 5 FFBDMM C[C@@H]1[C@H](c2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820641605 606718313 /nfs/dbraw/zinc/71/83/13/606718313.db2.gz DKVQZFROJDOGHY-DGCLKSJQSA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@@H]1[C@H](c2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820641605 606718315 /nfs/dbraw/zinc/71/83/15/606718315.db2.gz DKVQZFROJDOGHY-DGCLKSJQSA-N -1 1 351.370 2.552 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(C(F)(F)F)cc1 ZINC000823625595 607165287 /nfs/dbraw/zinc/16/52/87/607165287.db2.gz YXGMTQFEFHCLIU-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(C(F)(F)F)cc1 ZINC000823625595 607165289 /nfs/dbraw/zinc/16/52/89/607165289.db2.gz YXGMTQFEFHCLIU-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826263504 608820987 /nfs/dbraw/zinc/82/09/87/608820987.db2.gz FFTFMQUNKYDOCF-UHFFFAOYSA-N -1 1 368.353 2.658 20 5 FFBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)s1 ZINC000473423996 685295562 /nfs/dbraw/zinc/29/55/62/685295562.db2.gz WYGAWHUBRUPSQR-UHFFFAOYSA-N -1 1 362.346 2.547 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000157117451 728866174 /nfs/dbraw/zinc/86/61/74/728866174.db2.gz RWTSLCMOFNWFES-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000112203645 728542553 /nfs/dbraw/zinc/54/25/53/728542553.db2.gz AIFYOGPOZURIHL-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1ccco1 ZINC000124442887 728670762 /nfs/dbraw/zinc/67/07/62/728670762.db2.gz CKHUBLMNXRQWDY-NSHDSACASA-N -1 1 374.802 2.816 20 5 FFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126187217 728695131 /nfs/dbraw/zinc/69/51/31/728695131.db2.gz XBSPDBFXWHNKME-UHFFFAOYSA-N -1 1 352.232 2.532 20 5 FFBDMM CCC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000135616404 728738724 /nfs/dbraw/zinc/73/87/24/728738724.db2.gz KKJDRPAXRJKVLB-UHFFFAOYSA-N -1 1 363.233 2.968 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000175441829 729095887 /nfs/dbraw/zinc/09/58/87/729095887.db2.gz NVPCAIUPHZRVST-CJNGLKHVSA-N -1 1 366.370 2.542 20 5 FFBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc1 ZINC000859300274 730449307 /nfs/dbraw/zinc/44/93/07/730449307.db2.gz VWPWYLXUIRPEEN-UHFFFAOYSA-N -1 1 367.402 2.693 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000864559679 730860298 /nfs/dbraw/zinc/86/02/98/730860298.db2.gz NFKBHHHHEFJWSK-UHFFFAOYSA-N -1 1 369.330 2.713 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000867782212 731224757 /nfs/dbraw/zinc/22/47/57/731224757.db2.gz KVEFARJCSVUQSS-RYUDHWBXSA-N -1 1 374.846 2.589 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000742313207 735225672 /nfs/dbraw/zinc/22/56/72/735225672.db2.gz PBGCBYPOSIJHAK-GDLCADMTSA-N -1 1 374.846 2.730 20 5 FFBDMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000742329127 735228620 /nfs/dbraw/zinc/22/86/20/735228620.db2.gz NHDDVPOKOSEDJR-RKDXNWHRSA-N -1 1 350.849 2.811 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000751305026 735862611 /nfs/dbraw/zinc/86/26/11/735862611.db2.gz ICNLLZNEZFBWBG-GFCCVEGCSA-N -1 1 368.798 2.920 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000760321203 736629406 /nfs/dbraw/zinc/62/94/06/736629406.db2.gz RYYHHFLAUDVFMI-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM O=C([O-])/C=C\c1ccc(N[C@@H]2CCCN3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000910387813 737067637 /nfs/dbraw/zinc/06/76/37/737067637.db2.gz ZKKXEFVSDFVHNQ-COVNITIESA-N -1 1 363.439 2.684 20 5 FFBDMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000771809024 737758097 /nfs/dbraw/zinc/75/80/97/737758097.db2.gz YHGRONAYNDMBQU-YPMHNXCESA-N -1 1 362.835 2.730 20 5 FFBDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000917743651 737774715 /nfs/dbraw/zinc/77/47/15/737774715.db2.gz FLTHYWDCJRNHLV-UHFFFAOYSA-N -1 1 365.367 2.964 20 5 FFBDMM Cc1cccc(OCCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000918194806 737798151 /nfs/dbraw/zinc/79/81/51/737798151.db2.gz WTTZNGIBYGMBRG-UHFFFAOYSA-N -1 1 368.386 2.790 20 5 FFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000778049413 738348370 /nfs/dbraw/zinc/34/83/70/738348370.db2.gz GTRPJSBEDBKRJF-GFCCVEGCSA-N -1 1 362.835 2.873 20 5 FFBDMM COCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421134 739562085 /nfs/dbraw/zinc/56/20/85/739562085.db2.gz HTTBYEPIOZQAEB-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM COc1ccc(CCS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000800785815 740548314 /nfs/dbraw/zinc/54/83/14/740548314.db2.gz PXFLIXOSTUMOPC-UHFFFAOYSA-N -1 1 350.396 2.896 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCSC2)c(Cl)cc1Cl ZINC000809821774 741348679 /nfs/dbraw/zinc/34/86/79/741348679.db2.gz ZRUDSMWYGXJDTA-ZCFIWIBFSA-N -1 1 357.240 2.685 20 5 FFBDMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809842020 741352788 /nfs/dbraw/zinc/35/27/88/741352788.db2.gz CBLKPDKJIOEBJT-MUWHJKNJSA-N -1 1 371.267 2.931 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000815022195 741884343 /nfs/dbraw/zinc/88/43/43/741884343.db2.gz UMGBZYFNLZNGPU-ZETCQYMHSA-N -1 1 354.812 2.561 20 5 FFBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031586 741887005 /nfs/dbraw/zinc/88/70/05/741887005.db2.gz XNCYYZKQCPGUDR-ZETCQYMHSA-N -1 1 356.828 2.807 20 5 FFBDMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000815037167 741888488 /nfs/dbraw/zinc/88/84/88/741888488.db2.gz HERHYBUVHUNXQF-QMMMGPOBSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000827970892 745009240 /nfs/dbraw/zinc/00/92/40/745009240.db2.gz OTFJZFAEMDQWBP-GXTWGEPZSA-N -1 1 350.371 2.877 20 5 FFBDMM CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830594402 745390218 /nfs/dbraw/zinc/39/02/18/745390218.db2.gz USNZYPVUTULYOB-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831058998 745474123 /nfs/dbraw/zinc/47/41/23/745474123.db2.gz PNQIOTICSMTYTF-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000831683144 745567297 /nfs/dbraw/zinc/56/72/97/745567297.db2.gz KMUOFUZYNXIBKC-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000831823471 745589854 /nfs/dbraw/zinc/58/98/54/745589854.db2.gz VWQQZXPTHXINCO-BXKDBHETSA-N -1 1 350.824 2.588 20 5 FFBDMM C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000843039680 747753552 /nfs/dbraw/zinc/75/35/52/747753552.db2.gz DUXNMNUMASZYQZ-UWVGGRQHSA-N -1 1 357.204 2.900 20 5 FFBDMM O=C(COc1ccc([N+](=O)[O-])cc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000009607361 1013309928 /nfs/dbraw/zinc/30/99/28/1013309928.db2.gz FVBDZRJNWBBXID-UHFFFAOYSA-N -1 1 371.301 2.529 20 5 FFBDMM Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001605084999 972731184 /nfs/dbraw/zinc/73/11/84/972731184.db2.gz RBWPNAZGPNYODA-KGLIPLIRSA-N -1 1 363.414 2.807 20 5 FFBDMM CC(C)c1cc([C@@H]2CCCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)[nH]n1 ZINC001591931533 976440260 /nfs/dbraw/zinc/44/02/60/976440260.db2.gz UHHGWHCGURVYRR-LLVKDONJSA-N -1 1 359.386 2.919 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000697402167 980472259 /nfs/dbraw/zinc/47/22/59/980472259.db2.gz LEIZIDIXESTVSF-UHFFFAOYSA-N -1 1 361.217 2.578 20 5 FFBDMM CCOC(=O)CCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001596602068 984561095 /nfs/dbraw/zinc/56/10/95/984561095.db2.gz RORJUFHQEJJYQE-UHFFFAOYSA-N -1 1 364.398 2.848 20 5 FFBDMM Cc1ccc(-c2noc(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)n2)cc1 ZINC000761395927 986427756 /nfs/dbraw/zinc/42/77/56/986427756.db2.gz DBPGJWVRMQGPGI-UHFFFAOYSA-N -1 1 352.310 2.922 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2c(F)ccnc2F)c(C)c([N+](=O)[O-])c1 ZINC001128726260 989697535 /nfs/dbraw/zinc/69/75/35/989697535.db2.gz MOVPHVJKLPRCDI-UHFFFAOYSA-N -1 1 351.265 2.615 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC001132765580 995121687 /nfs/dbraw/zinc/12/16/87/995121687.db2.gz UPHBSSGCYPZBDK-SNVBAGLBSA-N -1 1 350.356 2.559 20 5 FFBDMM CC(C)c1nsc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC001133192283 995384212 /nfs/dbraw/zinc/38/42/12/995384212.db2.gz BWLSCQFYRBOJPA-UHFFFAOYSA-N -1 1 364.383 2.983 20 5 FFBDMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001136819506 996785230 /nfs/dbraw/zinc/78/52/30/996785230.db2.gz PFSZRVMWHFFZTB-UHFFFAOYSA-N -1 1 374.744 2.593 20 5 FFBDMM O=C(C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1 ZINC001136840585 996848565 /nfs/dbraw/zinc/84/85/65/996848565.db2.gz XBNDHMYQBNEWJB-KRWDZBQOSA-N -1 1 358.375 2.757 20 5 FFBDMM COc1cc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)ccc1C ZINC001599415621 997503708 /nfs/dbraw/zinc/50/37/08/997503708.db2.gz VXRATURGRYZXLF-UHFFFAOYSA-N -1 1 360.366 2.665 20 5 FFBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787957057 1001735542 /nfs/dbraw/zinc/73/55/42/1001735542.db2.gz YGUIVKXLWSTORN-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)cc1F ZINC001186762989 1003410892 /nfs/dbraw/zinc/41/08/92/1003410892.db2.gz ZLOWYZGHYDDZOH-UHFFFAOYSA-N -1 1 360.313 2.799 20 5 FFBDMM Cc1ccccc1[C@H](O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000804514051 1003716310 /nfs/dbraw/zinc/71/63/10/1003716310.db2.gz VOAMXVWHQVSPLK-QGZVFWFLSA-N -1 1 371.393 2.590 20 5 FFBDMM CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[nH]nc1-c1ccncc1 ZINC001136611688 1008717820 /nfs/dbraw/zinc/71/78/20/1008717820.db2.gz ZDMSASMXVPOLJH-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000758069873 1023915702 /nfs/dbraw/zinc/91/57/02/1023915702.db2.gz KGJLWOXMSXGNTA-UHFFFAOYSA-N -1 1 362.313 2.624 20 5 FFBDMM COc1c(Br)cccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212892899 1027208008 /nfs/dbraw/zinc/20/80/08/1027208008.db2.gz BEXPBRJQNQWRAV-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM O=c1nc2nc[nH]c2c(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])[n-]1 ZINC001159198780 1027308773 /nfs/dbraw/zinc/30/87/73/1027308773.db2.gz XOVIDMIPPFAREI-UHFFFAOYSA-N -1 1 357.717 2.912 20 5 FFBDMM O=C(NCc1ccnc(-c2ccccc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161712574 1028291249 /nfs/dbraw/zinc/29/12/49/1028291249.db2.gz CDRFXZBWFQXBCG-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001162290794 1028493394 /nfs/dbraw/zinc/49/33/94/1028493394.db2.gz INRTYGZUKVXYFA-AWEZNQCLSA-N -1 1 363.276 2.710 20 5 FFBDMM O=c1cc[n-]c(O[C@@H]2CCCN(Cc3cnc(Cl)s3)C2)c1[N+](=O)[O-] ZINC001225664336 1034356995 /nfs/dbraw/zinc/35/69/95/1034356995.db2.gz NGRHTNFAVUGYRI-SECBINFHSA-N -1 1 370.818 2.849 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226484252 1034707323 /nfs/dbraw/zinc/70/73/23/1034707323.db2.gz BTQSSQJZOVQXDE-JTQLQIEISA-N -1 1 359.338 2.688 20 5 FFBDMM CC1=C[C@H](Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])CC(=O)O1 ZINC001227307143 1035500533 /nfs/dbraw/zinc/50/05/33/1035500533.db2.gz RTFZYMKJNLJXNY-JTQLQIEISA-N -1 1 354.314 2.956 20 5 FFBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228139825 1035956636 /nfs/dbraw/zinc/95/66/36/1035956636.db2.gz AEYYFLPQKIPYLF-SNVBAGLBSA-N -1 1 368.390 2.505 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@@H]2C1 ZINC001229395045 1036650155 /nfs/dbraw/zinc/65/01/55/1036650155.db2.gz DUTBCILXNKINAA-SUHUHFCYSA-N -1 1 350.371 2.935 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC001229398093 1036651526 /nfs/dbraw/zinc/65/15/26/1036651526.db2.gz PRUMDFXCECGBBO-LLVKDONJSA-N -1 1 352.343 2.605 20 5 FFBDMM C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1cnccn1 ZINC001234749565 1037166535 /nfs/dbraw/zinc/16/65/35/1037166535.db2.gz AQYSAJNKEQWODP-VIFPVBQESA-N -1 1 366.329 2.993 20 5 FFBDMM CCOC(=O)[C@@H]1C[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001231263987 1037515851 /nfs/dbraw/zinc/51/58/51/1037515851.db2.gz ODUNZXJISAVELN-CABCVRRESA-N -1 1 374.349 2.838 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2F)n1 ZINC001231264466 1037517280 /nfs/dbraw/zinc/51/72/80/1037517280.db2.gz RDWSBGFRGDNZTC-PWSUYJOCSA-N -1 1 371.365 2.730 20 5 FFBDMM CC(=O)N1CCC(Cn2ncc(C)c2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210395863 1039519483 /nfs/dbraw/zinc/51/94/83/1039519483.db2.gz GFRAVLOUISTRCY-UHFFFAOYSA-N -1 1 373.413 2.807 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ncc(Cl)s2)cc1F ZINC001213600844 1040707165 /nfs/dbraw/zinc/70/71/65/1040707165.db2.gz KWCNOUVAYIKQEU-UHFFFAOYSA-N -1 1 365.795 2.631 20 5 FFBDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cc([N+](=O)[O-])cnc1C ZINC001249549003 1040860116 /nfs/dbraw/zinc/86/01/16/1040860116.db2.gz GORXGRTVAMWGBA-UHFFFAOYSA-N -1 1 361.383 2.659 20 5 FFBDMM CC(C)CCSc1ccc(C(=O)N(C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001539040957 1070547326 /nfs/dbraw/zinc/54/73/26/1070547326.db2.gz IXBNROUOWLRCMD-UHFFFAOYSA-N -1 1 350.404 2.523 20 5 FFBDMM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc([O-])cc1O ZINC001323037567 1046316447 /nfs/dbraw/zinc/31/64/47/1046316447.db2.gz DKLOHDDKZPUJOZ-UHFFFAOYSA-N -1 1 351.698 2.699 20 5 FFBDMM COC(=O)c1cc(C(=O)[N-]c2nc(C(C)C)ns2)cc([N+](=O)[O-])c1 ZINC001288566212 1047479335 /nfs/dbraw/zinc/47/93/35/1047479335.db2.gz SYZACIODRMEWCA-UHFFFAOYSA-N -1 1 350.356 2.609 20 5 FFBDMM CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475605694 1061161516 /nfs/dbraw/zinc/16/15/16/1061161516.db2.gz WSEYDFZWIISXNF-SFYZADRCSA-N -1 1 371.242 2.729 20 5 FFBDMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001463715425 1062224868 /nfs/dbraw/zinc/22/48/68/1062224868.db2.gz OJTMZDMFFFOCLR-IUCAKERBSA-N -1 1 350.799 2.958 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)cc1F ZINC001463920310 1062334231 /nfs/dbraw/zinc/33/42/31/1062334231.db2.gz LZUXAAWEFVLODC-CYBMUJFWSA-N -1 1 374.434 2.652 20 5 FFBDMM COc1cc(C(=O)[N-]c2nc(C(C)C)ns2)c([N+](=O)[O-])cc1OC ZINC001439084481 1063088619 /nfs/dbraw/zinc/08/86/19/1063088619.db2.gz FFVHGBDFEUMTTB-UHFFFAOYSA-N -1 1 352.372 2.839 20 5 FFBDMM CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2C1 ZINC001442331829 1063522529 /nfs/dbraw/zinc/52/25/29/1063522529.db2.gz KYDVAWADYSNNQK-UHFFFAOYSA-N -1 1 369.421 2.867 20 5 FFBDMM O=C(Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC001469668355 1064189307 /nfs/dbraw/zinc/18/93/07/1064189307.db2.gz RJDIHZBBGXZGNR-UHFFFAOYSA-N -1 1 355.329 2.989 20 5 FFBDMM CC(C)(C)c1ccnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001473093100 1065196793 /nfs/dbraw/zinc/19/67/93/1065196793.db2.gz ITNDSHBNTZJFDQ-UHFFFAOYSA-N -1 1 374.422 2.731 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c(F)cc1[N+](=O)[O-] ZINC001474820698 1065616658 /nfs/dbraw/zinc/61/66/58/1065616658.db2.gz BCUCYMGDXUIGJN-ZETCQYMHSA-N -1 1 357.190 2.514 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ccccc1-n1ccnc1 ZINC001582805040 1079111669 /nfs/dbraw/zinc/11/16/69/1079111669.db2.gz WXSQJPHFAIFRDH-UHFFFAOYSA-N -1 1 368.382 2.634 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccccc1-n1ccnc1 ZINC001582805040 1079111670 /nfs/dbraw/zinc/11/16/70/1079111670.db2.gz WXSQJPHFAIFRDH-UHFFFAOYSA-N -1 1 368.382 2.634 20 5 FFBDMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001556677206 1075763786 /nfs/dbraw/zinc/76/37/86/1075763786.db2.gz BYSWVMRZVNOXCD-AWEZNQCLSA-N -1 1 368.393 2.988 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001559111073 1076126711 /nfs/dbraw/zinc/12/67/11/1076126711.db2.gz YVDIFLOPQJTXEZ-UHFFFAOYSA-N -1 1 374.378 2.921 20 5 FFBDMM O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CCC(c2nn[n-]n2)CC1 ZINC001563396927 1076550650 /nfs/dbraw/zinc/55/06/50/1076550650.db2.gz NSJGZWTVCULFLN-UHFFFAOYSA-N -1 1 367.369 2.673 20 5 FFBDMM C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(=O)[O-] ZINC001589355766 1080499302 /nfs/dbraw/zinc/49/93/02/1080499302.db2.gz WLUQEDNVWIYMBN-MWLCHTKSSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@@H](COc1ccccc1F)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589885649 1080833760 /nfs/dbraw/zinc/83/37/60/1080833760.db2.gz CPJJMWMNXBVDKC-QMMMGPOBSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@@H](COc1ccccc1F)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589885649 1080833765 /nfs/dbraw/zinc/83/37/65/1080833765.db2.gz CPJJMWMNXBVDKC-QMMMGPOBSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@H](O)C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994987 1080927887 /nfs/dbraw/zinc/92/78/87/1080927887.db2.gz BAIAZNPHZAJJSZ-JSGCOSHPSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@H](O)C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994987 1080927892 /nfs/dbraw/zinc/92/78/92/1080927892.db2.gz BAIAZNPHZAJJSZ-JSGCOSHPSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134067 1081039525 /nfs/dbraw/zinc/03/95/25/1081039525.db2.gz MJJIAPMFFQCPTC-CQSZACIVSA-N -1 1 364.431 2.988 20 5 FFBDMM C[C@@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134067 1081039528 /nfs/dbraw/zinc/03/95/28/1081039528.db2.gz MJJIAPMFFQCPTC-CQSZACIVSA-N -1 1 364.431 2.988 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCOC1 ZINC000290859749 257361209 /nfs/dbraw/zinc/36/12/09/257361209.db2.gz XGKCUPUGEVMWDS-YUMQZZPRSA-N -1 1 369.226 2.605 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOCCc2ccccc2)s1 ZINC000066001221 506409167 /nfs/dbraw/zinc/40/91/67/506409167.db2.gz XXYSPYLMQVCIDX-UHFFFAOYSA-N -1 1 370.452 2.584 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000024577674 507421419 /nfs/dbraw/zinc/42/14/19/507421419.db2.gz PGYMEIIHQAGWPC-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000063773637 507769991 /nfs/dbraw/zinc/76/99/91/507769991.db2.gz KDVFXFPXTVLVPR-UHFFFAOYSA-N -1 1 370.452 2.921 20 5 FFBDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000111362881 508093820 /nfs/dbraw/zinc/09/38/20/508093820.db2.gz AFHBZGCLYGBPDA-QMMMGPOBSA-N -1 1 359.404 2.792 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N2CCCC2)o1 ZINC000101678667 508254018 /nfs/dbraw/zinc/25/40/18/508254018.db2.gz OZNSFGLKGNSYCQ-OAHLLOKOSA-N -1 1 359.382 2.769 20 5 FFBDMM CCOCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000156839649 508484556 /nfs/dbraw/zinc/48/45/56/508484556.db2.gz RWFRCXCQPWAECM-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000116361650 508503473 /nfs/dbraw/zinc/50/34/73/508503473.db2.gz JRZYJNLGJFHLMZ-OIBJUYFYSA-N -1 1 360.363 2.769 20 5 FFBDMM Cc1ccc([C@@H]2CSCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000185674743 509298652 /nfs/dbraw/zinc/29/86/52/509298652.db2.gz GRIVQNCAVUYRTM-HNNXBMFYSA-N -1 1 359.407 2.934 20 5 FFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173523145 509640520 /nfs/dbraw/zinc/64/05/20/509640520.db2.gz UIIBRZGLDAHMAX-SECBINFHSA-N -1 1 350.824 2.730 20 5 FFBDMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193434353 509915128 /nfs/dbraw/zinc/91/51/28/509915128.db2.gz BDOCIXPRIJTTDH-UHFFFAOYSA-N -1 1 355.272 2.986 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000186878793 509925608 /nfs/dbraw/zinc/92/56/08/509925608.db2.gz ROARAMGBTJETEC-QMMMGPOBSA-N -1 1 353.281 2.788 20 5 FFBDMM CCOc1cc(Cl)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193748753 510048406 /nfs/dbraw/zinc/04/84/06/510048406.db2.gz IQUBKIRFJZXORK-UHFFFAOYSA-N -1 1 351.746 2.678 20 5 FFBDMM O=C(NCCCO[C@H]1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187093834 510053216 /nfs/dbraw/zinc/05/32/16/510053216.db2.gz YEMCDJFFOXRAQJ-KRWDZBQOSA-N -1 1 371.393 2.910 20 5 FFBDMM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190494213 510165918 /nfs/dbraw/zinc/16/59/18/510165918.db2.gz HVRYZFNVRVTNBM-UHFFFAOYSA-N -1 1 355.272 2.953 20 5 FFBDMM COc1ccccc1C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000193994911 510167048 /nfs/dbraw/zinc/16/70/48/510167048.db2.gz UHYVTNGKKNWBCA-UHFFFAOYSA-N -1 1 357.366 2.556 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000194016663 510178058 /nfs/dbraw/zinc/17/80/58/510178058.db2.gz DRININHAYDCIRM-AWEZNQCLSA-N -1 1 363.757 2.563 20 5 FFBDMM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000294156992 510974949 /nfs/dbraw/zinc/97/49/49/510974949.db2.gz IBFVOGIAPFOAPP-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289751713 511114025 /nfs/dbraw/zinc/11/40/25/511114025.db2.gz GMCZPJJUBUQHJV-CQSZACIVSA-N -1 1 370.452 2.694 20 5 FFBDMM C[C@@H](CCCCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295763162 511507733 /nfs/dbraw/zinc/50/77/33/511507733.db2.gz PHDHATMTHWKLCP-QMMMGPOBSA-N -1 1 371.242 2.731 20 5 FFBDMM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000320739293 511814677 /nfs/dbraw/zinc/81/46/77/511814677.db2.gz YNJBLBYZYMFVRT-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM CCSCc1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)no1 ZINC000274600269 511885090 /nfs/dbraw/zinc/88/50/90/511885090.db2.gz PNBYEKUTJNPWPW-UHFFFAOYSA-N -1 1 365.367 2.875 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000378374682 512727022 /nfs/dbraw/zinc/72/70/22/512727022.db2.gz DWEKVRPDQCEUHC-WFASDCNBSA-N -1 1 368.436 2.712 20 5 FFBDMM COc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])cc1O ZINC000417635850 513128411 /nfs/dbraw/zinc/12/84/11/513128411.db2.gz WYFIANNEHMLBKT-KBPBESRZSA-N -1 1 358.350 2.712 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000417639531 513131434 /nfs/dbraw/zinc/13/14/34/513131434.db2.gz MILHLKZLOHBNTO-KRWDZBQOSA-N -1 1 360.366 2.615 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2ncc(F)cc2F)c(C)c([N+](=O)[O-])c1 ZINC000429033144 513262457 /nfs/dbraw/zinc/26/24/57/513262457.db2.gz XVYCEGJTPUATEQ-UHFFFAOYSA-N -1 1 351.265 2.615 20 5 FFBDMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cs1 ZINC000440310938 513290538 /nfs/dbraw/zinc/29/05/38/513290538.db2.gz ZHWNTUFVYRIWFL-VIFPVBQESA-N -1 1 366.399 2.522 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)[nH]n2)o1 ZINC000446620266 513297253 /nfs/dbraw/zinc/29/72/53/513297253.db2.gz OAQPWQURKCRNRR-UHFFFAOYSA-N -1 1 354.369 2.749 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000416572360 513841189 /nfs/dbraw/zinc/84/11/89/513841189.db2.gz TXQUCEZSYWTYQT-SECBINFHSA-N -1 1 358.807 2.504 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000436512677 513880512 /nfs/dbraw/zinc/88/05/12/513880512.db2.gz ZAKKWRQSWPVQFP-UHFFFAOYSA-N -1 1 371.349 2.914 20 5 FFBDMM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443374805 513952997 /nfs/dbraw/zinc/95/29/97/513952997.db2.gz QIILDXXMYUMJIT-JTQLQIEISA-N -1 1 370.814 2.863 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c1 ZINC000432188793 514121442 /nfs/dbraw/zinc/12/14/42/514121442.db2.gz YDGNHHBYWBLCCY-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000432616580 514241686 /nfs/dbraw/zinc/24/16/86/514241686.db2.gz LCMIRVRKZSPHDQ-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(C)cc2[nH]1 ZINC000427631432 514269346 /nfs/dbraw/zinc/26/93/46/514269346.db2.gz YSACXJNGUSYILG-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000502418363 514643132 /nfs/dbraw/zinc/64/31/32/514643132.db2.gz VENHNRGPICXMHY-UHFFFAOYSA-N -1 1 350.278 2.504 20 5 FFBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000471124952 514762505 /nfs/dbraw/zinc/76/25/05/514762505.db2.gz OGDDAHMRMQLWSD-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(Br)c2F)n1 ZINC000489337568 514803533 /nfs/dbraw/zinc/80/35/33/514803533.db2.gz WUHVVVBBLBSOOP-UHFFFAOYSA-N -1 1 361.102 2.621 20 5 FFBDMM CN(Cc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000504077052 515213018 /nfs/dbraw/zinc/21/30/18/515213018.db2.gz QKVBCUSDCYJVAZ-UHFFFAOYSA-N -1 1 366.171 2.730 20 5 FFBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491546344 515451233 /nfs/dbraw/zinc/45/12/33/515451233.db2.gz MJELGUBYFUEKCM-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000491610106 515461448 /nfs/dbraw/zinc/46/14/48/515461448.db2.gz NTCATSFUMJKJJP-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000481951904 515525499 /nfs/dbraw/zinc/52/54/99/515525499.db2.gz SDSCSOCDRAHBFV-QHCPKHFHSA-N -1 1 368.436 2.750 20 5 FFBDMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505509361 515565020 /nfs/dbraw/zinc/56/50/20/515565020.db2.gz CWMGGXPYFYLBNQ-UHFFFAOYSA-N -1 1 366.333 2.813 20 5 FFBDMM COCc1ccccc1CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000554726934 516606642 /nfs/dbraw/zinc/60/66/42/516606642.db2.gz HXYPKRFYMGWEGN-UHFFFAOYSA-N -1 1 350.396 2.992 20 5 FFBDMM Cc1cc(F)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000548223164 516836266 /nfs/dbraw/zinc/83/62/66/516836266.db2.gz DBFWSLLUWJHGPT-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000555230841 516840355 /nfs/dbraw/zinc/84/03/55/516840355.db2.gz UFYVMTQGIQPOBR-HUUCEWRRSA-N -1 1 361.423 2.680 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000525186818 516951241 /nfs/dbraw/zinc/95/12/41/516951241.db2.gz RCKVGOSICVZAFI-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1 ZINC000541802168 517222580 /nfs/dbraw/zinc/22/25/80/517222580.db2.gz XCMUAKYKGMBSGL-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000549520204 517598556 /nfs/dbraw/zinc/59/85/56/517598556.db2.gz JHCVPUYZXVHAEX-UHFFFAOYSA-N -1 1 372.834 2.678 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000542744503 517714583 /nfs/dbraw/zinc/71/45/83/517714583.db2.gz FBGLPPRUQLHVPA-ZDUSSCGKSA-N -1 1 368.411 2.779 20 5 FFBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000538756425 517765309 /nfs/dbraw/zinc/76/53/09/517765309.db2.gz AHPJSQNXSPXPEE-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM CSc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000539596685 518115992 /nfs/dbraw/zinc/11/59/92/518115992.db2.gz DRFKTZPFYRKZOF-UHFFFAOYSA-N -1 1 353.425 2.696 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000564102222 518307999 /nfs/dbraw/zinc/30/79/99/518307999.db2.gz MXUIYEMIIXTGRH-CYBMUJFWSA-N -1 1 370.814 2.914 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1cccc2ccccc21 ZINC000576083435 518419155 /nfs/dbraw/zinc/41/91/55/518419155.db2.gz WSTDNKGUDQZUOK-UHFFFAOYSA-N -1 1 373.390 2.500 20 5 FFBDMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000582382643 518727057 /nfs/dbraw/zinc/72/70/57/518727057.db2.gz ORYXYKJFQLPQSP-RFAUZJTJSA-N -1 1 352.343 2.534 20 5 FFBDMM O=C([O-])c1cnc(NC2CCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000583265480 519161118 /nfs/dbraw/zinc/16/11/18/519161118.db2.gz LILBBDJMDHVXHM-UHFFFAOYSA-N -1 1 374.372 2.904 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2oc(CO)cc2c1 ZINC000590597779 519281713 /nfs/dbraw/zinc/28/17/13/519281713.db2.gz SXCCDJRTDGOOSU-UHFFFAOYSA-N -1 1 362.363 2.943 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)(F)F ZINC000594724657 520113940 /nfs/dbraw/zinc/11/39/40/520113940.db2.gz ZZVGGGLXTNIBFG-UHFFFAOYSA-N -1 1 359.354 2.855 20 5 FFBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000594734105 520121634 /nfs/dbraw/zinc/12/16/34/520121634.db2.gz OTDWAUBSPITVON-MNOVXSKESA-N -1 1 362.304 2.559 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595382112 520441399 /nfs/dbraw/zinc/44/13/99/520441399.db2.gz PMSWBWYHJZCCFA-UHFFFAOYSA-N -1 1 352.359 2.563 20 5 FFBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000610266626 520613064 /nfs/dbraw/zinc/61/30/64/520613064.db2.gz IBSDORXJENYNDG-QWHCGFSZSA-N -1 1 374.846 2.874 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccncc1 ZINC000610518489 520724769 /nfs/dbraw/zinc/72/47/69/520724769.db2.gz UJLPDVNIPKHTOT-SNVBAGLBSA-N -1 1 355.803 2.725 20 5 FFBDMM COc1cccc([C@@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000598773241 520838494 /nfs/dbraw/zinc/83/84/94/520838494.db2.gz NIWVEHURNNOSGS-SFHVURJKSA-N -1 1 357.366 2.508 20 5 FFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619499990 521599943 /nfs/dbraw/zinc/59/99/43/521599943.db2.gz RMJDLJNDGZFSPC-UFBFGSQYSA-N -1 1 370.349 2.859 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823651478 599346175 /nfs/dbraw/zinc/34/61/75/599346175.db2.gz LKFKEJOJKOQHGH-UHFFFAOYSA-N -1 1 352.232 2.981 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823651478 599346178 /nfs/dbraw/zinc/34/61/78/599346178.db2.gz LKFKEJOJKOQHGH-UHFFFAOYSA-N -1 1 352.232 2.981 20 5 FFBDMM CCC1CCC(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)(C(=O)[O-])CC1 ZINC000829107814 601495474 /nfs/dbraw/zinc/49/54/74/601495474.db2.gz PUMIFXLNALBZKU-UHFFFAOYSA-N -1 1 363.414 2.855 20 5 FFBDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000825273189 604023432 /nfs/dbraw/zinc/02/34/32/604023432.db2.gz PAZLSCNZNTUKDI-UKRRQHHQSA-N -1 1 373.413 2.784 20 5 FFBDMM COc1ccc(CC[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821790754 606703116 /nfs/dbraw/zinc/70/31/16/606703116.db2.gz SIUHVRNIURMOTK-LLVKDONJSA-N -1 1 369.385 2.612 20 5 FFBDMM COc1ccc(CC[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821790754 606703118 /nfs/dbraw/zinc/70/31/18/606703118.db2.gz SIUHVRNIURMOTK-LLVKDONJSA-N -1 1 369.385 2.612 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCSCc1ccccc1 ZINC000823625124 607165651 /nfs/dbraw/zinc/16/56/51/607165651.db2.gz PUBCCKQTHWXYNQ-UHFFFAOYSA-N -1 1 357.399 2.515 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCSCc1ccccc1 ZINC000823625124 607165653 /nfs/dbraw/zinc/16/56/53/607165653.db2.gz PUBCCKQTHWXYNQ-UHFFFAOYSA-N -1 1 357.399 2.515 20 5 FFBDMM O=[N+]([O-])c1ccc2ncnc(Oc3cccc(F)c3-c3nnn[n-]3)c2c1 ZINC000826499356 609441136 /nfs/dbraw/zinc/44/11/36/609441136.db2.gz FSHWCJPCCDJNTN-UHFFFAOYSA-N -1 1 353.273 2.650 20 5 FFBDMM O=[N+]([O-])c1ccc2ncnc(Oc3cccc(F)c3-c3nn[n-]n3)c2c1 ZINC000826499356 609441138 /nfs/dbraw/zinc/44/11/38/609441138.db2.gz FSHWCJPCCDJNTN-UHFFFAOYSA-N -1 1 353.273 2.650 20 5 FFBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccccn3n2)cc1SC ZINC000538418752 673439425 /nfs/dbraw/zinc/43/94/25/673439425.db2.gz SNIZFMYNFZJZCR-UHFFFAOYSA-N -1 1 359.367 2.620 20 5 FFBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000071208805 728208160 /nfs/dbraw/zinc/20/81/60/728208160.db2.gz CBTCKHCBKYHIIE-SCZZXKLOSA-N -1 1 363.233 2.824 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000079305870 728311554 /nfs/dbraw/zinc/31/15/54/728311554.db2.gz DEFHVAKBVRYIOV-NSHDSACASA-N -1 1 370.814 2.994 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000101568773 728486399 /nfs/dbraw/zinc/48/63/99/728486399.db2.gz XTIOESQPYZLYRM-UHFFFAOYSA-N -1 1 356.787 2.606 20 5 FFBDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000119365897 728592836 /nfs/dbraw/zinc/59/28/36/728592836.db2.gz LZJBLRVSNBEWNW-MRVPVSSYSA-N -1 1 360.388 2.844 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000123168105 728655967 /nfs/dbraw/zinc/65/59/67/728655967.db2.gz ZUEYUGLSRYLDTA-AWEZNQCLSA-N -1 1 370.814 2.650 20 5 FFBDMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751434861 735874785 /nfs/dbraw/zinc/87/47/85/735874785.db2.gz IPXIWQOXODOTJD-CQSZACIVSA-N -1 1 364.851 2.714 20 5 FFBDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175892767 729103595 /nfs/dbraw/zinc/10/35/95/729103595.db2.gz USEUAHRMBRCGAO-UHFFFAOYSA-N -1 1 372.834 2.504 20 5 FFBDMM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194336725 729507469 /nfs/dbraw/zinc/50/74/69/729507469.db2.gz XFFPCBFFFFKKAS-UHFFFAOYSA-N -1 1 368.386 2.572 20 5 FFBDMM O=c1[n-]nc([C@@H]2CCCN(c3cccc(Br)c3[N+](=O)[O-])C2)o1 ZINC000856748873 730354113 /nfs/dbraw/zinc/35/41/13/730354113.db2.gz PRXDMPKOHIHJSI-MRVPVSSYSA-N -1 1 369.175 2.830 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c([N+](=O)[O-])s1 ZINC000872003388 731715884 /nfs/dbraw/zinc/71/58/84/731715884.db2.gz PCOXKWBXCBOTAK-UHFFFAOYSA-N -1 1 355.441 2.827 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000782260051 738703445 /nfs/dbraw/zinc/70/34/45/738703445.db2.gz VAKYVEWPSLAFBZ-UHFFFAOYSA-N -1 1 367.339 2.621 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C1CCCC1 ZINC000757724068 736422448 /nfs/dbraw/zinc/42/24/48/736422448.db2.gz JYZQTNWNLKTKLL-UHFFFAOYSA-N -1 1 367.196 2.717 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000765211449 737097240 /nfs/dbraw/zinc/09/72/40/737097240.db2.gz JOYUYEACIRTSRU-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2ccc(Br)cc2C1 ZINC000765865050 737168186 /nfs/dbraw/zinc/16/81/86/737168186.db2.gz FKRZFKWPOCWDOJ-UHFFFAOYSA-N -1 1 364.155 2.614 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000769047601 737489337 /nfs/dbraw/zinc/48/93/37/737489337.db2.gz OPLFCYOAGBVGNR-ZETOZRRWSA-N -1 1 350.371 2.541 20 5 FFBDMM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1F ZINC000769892549 737579892 /nfs/dbraw/zinc/57/98/92/737579892.db2.gz WVOCBKPPPQQHTJ-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000776868832 738240202 /nfs/dbraw/zinc/24/02/02/738240202.db2.gz SAPDTAQMJQDHBJ-SECBINFHSA-N -1 1 366.374 2.966 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000777590085 738303617 /nfs/dbraw/zinc/30/36/17/738303617.db2.gz BCTOJVRPEABBKD-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393871 741305060 /nfs/dbraw/zinc/30/50/60/741305060.db2.gz XUKRESMEKCDFIO-OIBJUYFYSA-N -1 1 371.242 2.587 20 5 FFBDMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823839 741349125 /nfs/dbraw/zinc/34/91/25/741349125.db2.gz UJFNZICZBZCJSI-VIFPVBQESA-N -1 1 373.793 2.692 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000815022879 741884465 /nfs/dbraw/zinc/88/44/65/741884465.db2.gz BTQULSHJSRTXKF-VIFPVBQESA-N -1 1 373.793 2.864 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000815028142 741886130 /nfs/dbraw/zinc/88/61/30/741886130.db2.gz SAYVQCKYFNJJTQ-UHFFFAOYSA-N -1 1 373.793 2.693 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000815032012 741886857 /nfs/dbraw/zinc/88/68/57/741886857.db2.gz NJMDKONGORHPBL-MRVPVSSYSA-N -1 1 368.839 2.951 20 5 FFBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828381296 745061113 /nfs/dbraw/zinc/06/11/13/745061113.db2.gz MRFHYOJAERBBTR-RCOVLWMOSA-N -1 1 354.812 2.560 20 5 FFBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830671600 745402327 /nfs/dbraw/zinc/40/23/27/745402327.db2.gz FWIAOOCLGNRCIK-MRVPVSSYSA-N -1 1 371.242 2.731 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1Cl ZINC000831353938 745519022 /nfs/dbraw/zinc/51/90/22/745519022.db2.gz YUYDMPGEEMZOCC-IONNQARKSA-N -1 1 351.211 2.978 20 5 FFBDMM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841558811 747398457 /nfs/dbraw/zinc/39/84/57/747398457.db2.gz KJSRHVABMRXDFF-LKFCYVNXSA-N -1 1 362.835 2.730 20 5 FFBDMM O=C([O-])C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844837280 748113361 /nfs/dbraw/zinc/11/33/61/748113361.db2.gz YKSHGAHPKHEMCE-LLVKDONJSA-N -1 1 355.778 2.516 20 5 FFBDMM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000851822206 749689106 /nfs/dbraw/zinc/68/91/06/749689106.db2.gz KDFPNINJGSQQKT-CABCVRRESA-N -1 1 370.452 2.693 20 5 FFBDMM O=C([O-])[C@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001595198040 952305966 /nfs/dbraw/zinc/30/59/66/952305966.db2.gz CDYGPPIIGKUEBS-VIFPVBQESA-N -1 1 366.761 2.595 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000473778006 965603380 /nfs/dbraw/zinc/60/33/80/965603380.db2.gz SDZPVVCEDMCLCZ-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM O=C([N-]n1cnc2ccccc2c1=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000015535587 967827704 /nfs/dbraw/zinc/82/77/04/967827704.db2.gz OZQMLSPYBAVMBQ-UHFFFAOYSA-N -1 1 366.358 2.903 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)cc1F ZINC001211611902 967965151 /nfs/dbraw/zinc/96/51/51/967965151.db2.gz OWDLFBHEBMTFEL-ZFWWWQNUSA-N -1 1 374.434 2.914 20 5 FFBDMM CC[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC001597291156 987376521 /nfs/dbraw/zinc/37/65/21/987376521.db2.gz DUOPAQZKOZUYFH-MRXNPFEDSA-N -1 1 357.366 2.972 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)cc1F ZINC001212336198 991723467 /nfs/dbraw/zinc/72/34/67/991723467.db2.gz NQFGWIBACJMUOV-GFCCVEGCSA-N -1 1 372.418 2.812 20 5 FFBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001594207550 998799922 /nfs/dbraw/zinc/79/99/22/998799922.db2.gz FXWXXHLNDLKEEY-ZSBIGDGJSA-N -1 1 350.371 2.535 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000744478455 999859043 /nfs/dbraw/zinc/85/90/43/999859043.db2.gz WISKHLFAYDVYKC-UHFFFAOYSA-N -1 1 359.334 2.668 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000769045776 1000413112 /nfs/dbraw/zinc/41/31/12/1000413112.db2.gz ILLJELGTWYSJDZ-VIFPVBQESA-N -1 1 356.294 2.663 20 5 FFBDMM CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049686 1000414155 /nfs/dbraw/zinc/41/41/55/1000414155.db2.gz RCHPRZOHRLIBRK-UHFFFAOYSA-N -1 1 372.377 2.894 20 5 FFBDMM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000788531364 1001823089 /nfs/dbraw/zinc/82/30/89/1001823089.db2.gz UEZRAIONFQRDEJ-XHBSWPGZSA-N -1 1 357.366 2.686 20 5 FFBDMM CCOc1ccccc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001185752517 1003065031 /nfs/dbraw/zinc/06/50/31/1003065031.db2.gz KGDOTGPEOBCIFE-UHFFFAOYSA-N -1 1 368.386 2.920 20 5 FFBDMM CC(C)(C)c1coc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001190284328 1007571512 /nfs/dbraw/zinc/57/15/12/1007571512.db2.gz WRAWUBMUGKVGFC-UHFFFAOYSA-N -1 1 363.395 2.929 20 5 FFBDMM COc1cnc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3C)CCCC2)[n-]c1=O ZINC001179193552 1009286458 /nfs/dbraw/zinc/28/64/58/1009286458.db2.gz HSKWEXDGBXBLBN-UHFFFAOYSA-N -1 1 372.381 2.607 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000861508416 1009444944 /nfs/dbraw/zinc/44/49/44/1009444944.db2.gz NZQKXOGSLPUWMP-GFCCVEGCSA-N -1 1 368.349 2.856 20 5 FFBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000780075331 1019594369 /nfs/dbraw/zinc/59/43/69/1019594369.db2.gz NQCCZBFLJRNFHX-MLGOLLRUSA-N -1 1 364.398 2.883 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@H](F)C1 ZINC001225660843 1034355950 /nfs/dbraw/zinc/35/59/50/1034355950.db2.gz HJUWWURBNNJNEV-PWSUYJOCSA-N -1 1 371.365 2.812 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](c1cccnc1)C1CC1 ZINC001226310967 1034625155 /nfs/dbraw/zinc/62/51/55/1034625155.db2.gz SURZFPPUMNYZJJ-AWEZNQCLSA-N -1 1 359.338 2.797 20 5 FFBDMM CC(=O)N1CCC[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227306960 1035501185 /nfs/dbraw/zinc/50/11/85/1035501185.db2.gz QYIRTSDOSPCAHN-GFCCVEGCSA-N -1 1 369.373 2.747 20 5 FFBDMM Cc1nc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378332 1036640224 /nfs/dbraw/zinc/64/02/24/1036640224.db2.gz KEOBGMWORRWNRX-SNVBAGLBSA-N -1 1 374.231 2.989 20 5 FFBDMM Cc1nc(O[C@H](C)c2ccc(Br)nc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380293 1036642203 /nfs/dbraw/zinc/64/22/03/1036642203.db2.gz KJAOUSUOVSWVAG-ZCFIWIBFSA-N -1 1 355.148 2.696 20 5 FFBDMM CC(C)(C)OC(=O)N1CCCO[C@H](COc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394963 1036649882 /nfs/dbraw/zinc/64/98/82/1036649882.db2.gz CRLVDYRUQWWDFF-ZDUSSCGKSA-N -1 1 368.386 2.705 20 5 FFBDMM CCOC(=O)c1cc([O-])c(Br)c(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001234059830 1036901216 /nfs/dbraw/zinc/90/12/16/1036901216.db2.gz IBWQKTLEDOKEQC-LBPRGKRZSA-N -1 1 374.187 2.766 20 5 FFBDMM CC1=C(Oc2cc3c4ccc(O)cc4oc(=O)c3cc2[O-])C(=O)O[C@@H]1C ZINC001229804191 1036908205 /nfs/dbraw/zinc/90/82/05/1036908205.db2.gz YESXDFKDZUHVRY-SECBINFHSA-N -1 1 354.314 2.956 20 5 FFBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cnccn1 ZINC001234126908 1036931545 /nfs/dbraw/zinc/93/15/45/1036931545.db2.gz AWMTZHSZKZIBGP-VIFPVBQESA-N -1 1 366.329 2.993 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OC[C@H]4CCCO4)cc([O-])cc3oc21 ZINC001234747950 1037164061 /nfs/dbraw/zinc/16/40/61/1037164061.db2.gz FBZVDJBKSCWTAS-LLVKDONJSA-N -1 1 358.346 2.924 20 5 FFBDMM CC(C)(C)N1CC(Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)C1 ZINC001234753520 1037169616 /nfs/dbraw/zinc/16/96/16/1037169616.db2.gz OWNDKTNNCZWRJI-UHFFFAOYSA-N -1 1 371.389 2.925 20 5 FFBDMM CCOC(=O)[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001234874543 1037216416 /nfs/dbraw/zinc/21/64/16/1037216416.db2.gz KWBBDPVLWYWMKJ-NSHDSACASA-N -1 1 360.160 2.783 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 ZINC001231264869 1037515929 /nfs/dbraw/zinc/51/59/29/1037515929.db2.gz VJWXJPAAXRTLGU-DMDPSCGWSA-N -1 1 365.386 2.638 20 5 FFBDMM COC(=O)c1nnn(Cc2ccccc2)c1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210952462 1039846594 /nfs/dbraw/zinc/84/65/94/1039846594.db2.gz JCQZEMSSIBVPHP-UHFFFAOYSA-N -1 1 371.328 2.904 20 5 FFBDMM CCSc1ccccc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001213648464 1040758912 /nfs/dbraw/zinc/75/89/12/1040758912.db2.gz XJAHSYXIVKOXRT-UHFFFAOYSA-N -1 1 367.452 2.623 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC001309845923 1043552565 /nfs/dbraw/zinc/55/25/65/1043552565.db2.gz GOOACBDPFKRIAN-QMMMGPOBSA-N -1 1 357.369 2.604 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)cc1F ZINC001332019072 1048213760 /nfs/dbraw/zinc/21/37/60/1048213760.db2.gz LUCPYVZPYCTHBT-UHFFFAOYSA-N -1 1 350.318 2.508 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(O)c2)c1 ZINC001339903110 1050320218 /nfs/dbraw/zinc/32/02/18/1050320218.db2.gz RUQXOVVXLPBBEL-UHFFFAOYSA-N -1 1 373.184 2.864 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001302295217 1051075580 /nfs/dbraw/zinc/07/55/80/1051075580.db2.gz JHYDYROJWGOYMD-GOSISDBHSA-N -1 1 364.361 2.811 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001339191671 1056185883 /nfs/dbraw/zinc/18/58/83/1056185883.db2.gz IQEIBBTVOQPLIZ-NSHDSACASA-N -1 1 367.365 2.592 20 5 FFBDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001339291313 1056297879 /nfs/dbraw/zinc/29/78/79/1056297879.db2.gz ZWOCSEWYJIVURT-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc([N+](=O)[O-])ccc1F ZINC001447936707 1058720499 /nfs/dbraw/zinc/72/04/99/1058720499.db2.gz XVJCFTRJAUICAR-UHFFFAOYSA-N -1 1 356.107 2.849 20 5 FFBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC001475151198 1060969070 /nfs/dbraw/zinc/96/90/70/1060969070.db2.gz BJQDMOJVJLHEOL-VCTAVGKDSA-N -1 1 374.434 2.852 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](C)O1 ZINC001464259972 1062510168 /nfs/dbraw/zinc/51/01/68/1062510168.db2.gz NGQMWFCJUMKFDY-FWWHASMVSA-N -1 1 369.226 2.746 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])ccnc1-2 ZINC001436066806 1062626710 /nfs/dbraw/zinc/62/67/10/1062626710.db2.gz LXAIJCYQSVFXRT-UHFFFAOYSA-N -1 1 365.271 2.521 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[n-]c1Cl ZINC001439495811 1063164294 /nfs/dbraw/zinc/16/42/94/1063164294.db2.gz HCOUBEPLXXCDMY-YVMONPNESA-N -1 1 364.745 2.800 20 5 FFBDMM CSc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1[N+](=O)[O-] ZINC001525141414 1063165513 /nfs/dbraw/zinc/16/55/13/1063165513.db2.gz CVAPJSAKWGLTHQ-UHFFFAOYSA-N -1 1 360.395 2.943 20 5 FFBDMM CSc1ncc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(=O)[n-]1 ZINC001556052653 1075695133 /nfs/dbraw/zinc/69/51/33/1075695133.db2.gz KGQKYUNKICQUAL-UHFFFAOYSA-N -1 1 360.395 2.617 20 5 FFBDMM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC001556494764 1075746488 /nfs/dbraw/zinc/74/64/88/1075746488.db2.gz DJVHYVCRRQYNKN-UHFFFAOYSA-N -1 1 372.307 2.572 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1Cl ZINC001557723597 1075879896 /nfs/dbraw/zinc/87/98/96/1075879896.db2.gz NTCQHUZBFBKGRV-AWEZNQCLSA-N -1 1 372.772 2.589 20 5 FFBDMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001561399993 1076372151 /nfs/dbraw/zinc/37/21/51/1076372151.db2.gz AFXZJICGIIGJBW-SECBINFHSA-N -1 1 371.390 2.729 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1OCc2ccccc21 ZINC001562020436 1076467948 /nfs/dbraw/zinc/46/79/48/1076467948.db2.gz XWJJDOUSPQOHSF-AWEZNQCLSA-N -1 1 368.798 2.798 20 5 FFBDMM CC(=O)N(C)c1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001588800656 1080201979 /nfs/dbraw/zinc/20/19/79/1080201979.db2.gz SRVMILFMKDQFJT-UHFFFAOYSA-N -1 1 359.371 2.563 20 5 FFBDMM CC(=O)N(C)c1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001588800656 1080201984 /nfs/dbraw/zinc/20/19/84/1080201984.db2.gz SRVMILFMKDQFJT-UHFFFAOYSA-N -1 1 359.371 2.563 20 5 FFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001589100335 1080354529 /nfs/dbraw/zinc/35/45/29/1080354529.db2.gz ZPLYDYTXLUSEPH-GZMMTYOYSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001589100335 1080354537 /nfs/dbraw/zinc/35/45/37/1080354537.db2.gz ZPLYDYTXLUSEPH-GZMMTYOYSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)c1ccc2c(c1)CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001589769536 1080723618 /nfs/dbraw/zinc/72/36/18/1080723618.db2.gz OTISTQALOMJKCT-UHFFFAOYSA-N -1 1 365.397 2.856 20 5 FFBDMM CC(C)c1ccc2c(c1)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001589769536 1080723621 /nfs/dbraw/zinc/72/36/21/1080723621.db2.gz OTISTQALOMJKCT-UHFFFAOYSA-N -1 1 365.397 2.856 20 5 FFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)Oc1ccc(F)cc1 ZINC001589877046 1080824840 /nfs/dbraw/zinc/82/48/40/1080824840.db2.gz HYJTWSLCVHUWRD-JTQLQIEISA-N -1 1 358.333 2.793 20 5 FFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)Oc1ccc(F)cc1 ZINC001589877046 1080824841 /nfs/dbraw/zinc/82/48/41/1080824841.db2.gz HYJTWSLCVHUWRD-JTQLQIEISA-N -1 1 358.333 2.793 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000032086199 506228338 /nfs/dbraw/zinc/22/83/38/506228338.db2.gz CNVVTGJCENTBSK-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000032586150 506266058 /nfs/dbraw/zinc/26/60/58/506266058.db2.gz DXHGDCCGTVYPAA-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000065833259 506375647 /nfs/dbraw/zinc/37/56/47/506375647.db2.gz VJCDJDDJFLJDLL-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2c(F)cccc2F)CC1 ZINC000377309432 512210367 /nfs/dbraw/zinc/21/03/67/512210367.db2.gz RCLCMLOCUUSIAZ-UHFFFAOYSA-N -1 1 363.320 2.993 20 5 FFBDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000055682664 506823857 /nfs/dbraw/zinc/82/38/57/506823857.db2.gz MMPADRWFOFQKQE-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM CCn1c(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068452245 507237364 /nfs/dbraw/zinc/23/73/64/507237364.db2.gz JFNNJWLUJIOJRR-UHFFFAOYSA-N -1 1 361.427 2.889 20 5 FFBDMM O=C(NCCCCOc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028814002 507743670 /nfs/dbraw/zinc/74/36/70/507743670.db2.gz NFQPKTWVZXKIBK-UHFFFAOYSA-N -1 1 365.773 2.526 20 5 FFBDMM CCO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000080804171 508105394 /nfs/dbraw/zinc/10/53/94/508105394.db2.gz NLDMVFJTTWPWFF-GFCCVEGCSA-N -1 1 362.473 2.920 20 5 FFBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc12 ZINC000093909127 508160195 /nfs/dbraw/zinc/16/01/95/508160195.db2.gz SZOPSEFNBFPTCV-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102793486 508284904 /nfs/dbraw/zinc/28/49/04/508284904.db2.gz GEZILRKLXWOAFY-UHFFFAOYSA-N -1 1 355.272 2.986 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)s1 ZINC000134661115 508556671 /nfs/dbraw/zinc/55/66/71/508556671.db2.gz NAOWAPDJEZIAER-NSHDSACASA-N -1 1 360.457 2.817 20 5 FFBDMM O=C(Nc1ccc(Cl)cc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000153707602 508631533 /nfs/dbraw/zinc/63/15/33/508631533.db2.gz AKNXTFDVQZWAIL-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC000119580324 508822512 /nfs/dbraw/zinc/82/25/12/508822512.db2.gz RXTLRESXNXYOIK-UHFFFAOYSA-N -1 1 358.383 2.693 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000119706436 508848495 /nfs/dbraw/zinc/84/84/95/508848495.db2.gz IBSVJNJYDKYFCT-UHFFFAOYSA-N -1 1 362.396 2.583 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000126786978 509128307 /nfs/dbraw/zinc/12/83/07/509128307.db2.gz PCMDUQDFDVPLEF-UHFFFAOYSA-N -1 1 368.415 2.716 20 5 FFBDMM CCc1nnc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000264014205 509283580 /nfs/dbraw/zinc/28/35/80/509283580.db2.gz PJGCERIAVUKMBZ-UHFFFAOYSA-N -1 1 354.413 2.992 20 5 FFBDMM O=C(NCc1cc(Cl)ccc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185781192 509352618 /nfs/dbraw/zinc/35/26/18/509352618.db2.gz HWYQXGOIOUVSJP-UHFFFAOYSA-N -1 1 373.699 2.880 20 5 FFBDMM O=C(C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000185809350 509365154 /nfs/dbraw/zinc/36/51/54/509365154.db2.gz WZHVHBMGLOWZFY-NSHDSACASA-N -1 1 361.379 2.635 20 5 FFBDMM O=C(NCCc1csc(-c2ccccc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185821681 509371489 /nfs/dbraw/zinc/37/14/89/509371489.db2.gz MGTDCYLOXFUNTK-UHFFFAOYSA-N -1 1 370.390 2.791 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000182734858 509400786 /nfs/dbraw/zinc/40/07/86/509400786.db2.gz DXLNBWMRFNTMKC-UHFFFAOYSA-N -1 1 372.406 2.969 20 5 FFBDMM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182832204 509447794 /nfs/dbraw/zinc/44/77/94/509447794.db2.gz FMNIWVBYIUFSQF-KBPBESRZSA-N -1 1 363.757 2.609 20 5 FFBDMM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000186473464 509727050 /nfs/dbraw/zinc/72/70/50/509727050.db2.gz HMHZFSZBISEFNY-MRVPVSSYSA-N -1 1 359.404 2.581 20 5 FFBDMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000170988092 509878189 /nfs/dbraw/zinc/87/81/89/509878189.db2.gz VRENLFFSRZMAFO-UHFFFAOYSA-N -1 1 361.379 2.522 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2occc2Br)cc([N+](=O)[O-])c1 ZINC000177404330 510040105 /nfs/dbraw/zinc/04/01/05/510040105.db2.gz IUYFVCOXZDDZAJ-UHFFFAOYSA-N -1 1 369.127 2.989 20 5 FFBDMM COc1ccccc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000193734729 510042347 /nfs/dbraw/zinc/04/23/47/510042347.db2.gz CLSNNXFKFCMBTI-MRXNPFEDSA-N -1 1 369.333 2.816 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000187209854 510125078 /nfs/dbraw/zinc/12/50/78/510125078.db2.gz OIISLBAPZKXFBQ-ZDUSSCGKSA-N -1 1 363.757 2.642 20 5 FFBDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000195070099 510658113 /nfs/dbraw/zinc/65/81/13/510658113.db2.gz BXKZGFOKSHGSDJ-SNVBAGLBSA-N -1 1 362.411 2.668 20 5 FFBDMM CCOC(=O)c1cnc(C(C)=CC=Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC000191479686 510681057 /nfs/dbraw/zinc/68/10/57/510681057.db2.gz WGVRRJQISDLODU-QBXHZEQXSA-N -1 1 355.350 2.972 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000282493260 510998979 /nfs/dbraw/zinc/99/89/79/510998979.db2.gz YKOVXISXSRBEDA-CYBMUJFWSA-N -1 1 374.846 2.876 20 5 FFBDMM CO[C@H](C)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295800224 511519001 /nfs/dbraw/zinc/51/90/01/511519001.db2.gz VWXLKSYAIBZVDO-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)s1 ZINC000429901503 513494030 /nfs/dbraw/zinc/49/40/30/513494030.db2.gz MQWWVUXYDYDRDH-UHFFFAOYSA-N -1 1 370.305 2.691 20 5 FFBDMM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cccc21 ZINC000447723944 513553356 /nfs/dbraw/zinc/55/33/56/513553356.db2.gz SEHDRCBVUARDMD-AWEZNQCLSA-N -1 1 357.366 2.938 20 5 FFBDMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000416579128 513845753 /nfs/dbraw/zinc/84/57/53/513845753.db2.gz BFKYAIQUGLMQGH-YMTOWFKASA-N -1 1 362.835 2.730 20 5 FFBDMM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000438038367 514292792 /nfs/dbraw/zinc/29/27/92/514292792.db2.gz XPKRTMKPBWFHCR-UKRRQHHQSA-N -1 1 351.403 2.799 20 5 FFBDMM O=C(NCCCCCOC1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444997761 514384895 /nfs/dbraw/zinc/38/48/95/514384895.db2.gz GEVOJSMOEVAGDO-UHFFFAOYSA-N -1 1 351.403 2.945 20 5 FFBDMM O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)nn2)c1 ZINC000445479586 514484756 /nfs/dbraw/zinc/48/47/56/514484756.db2.gz WJJCZGHHDUBKKA-UHFFFAOYSA-N -1 1 368.284 2.737 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000507918106 514610987 /nfs/dbraw/zinc/61/09/87/514610987.db2.gz NXRCOWVHABEMDX-UHFFFAOYSA-N -1 1 369.399 2.831 20 5 FFBDMM Cc1nn(C)c2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc12 ZINC000461869251 514761336 /nfs/dbraw/zinc/76/13/36/514761336.db2.gz WUBWLLUEUWVFIT-UHFFFAOYSA-N -1 1 366.424 2.999 20 5 FFBDMM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462294254 514978459 /nfs/dbraw/zinc/97/84/59/514978459.db2.gz FCUGRMWFBCGPGE-IUODEOHRSA-N -1 1 368.436 2.673 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000503864635 515156654 /nfs/dbraw/zinc/15/66/54/515156654.db2.gz UOBHQEPXKNCESR-LLVKDONJSA-N -1 1 374.802 2.897 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000467935067 515169098 /nfs/dbraw/zinc/16/90/98/515169098.db2.gz IIWALWKBRQLGMB-UHFFFAOYSA-N -1 1 369.337 2.522 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000468525717 515400129 /nfs/dbraw/zinc/40/01/29/515400129.db2.gz ZFWDASSRWYILPQ-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1csc(=NC2CC2)[n-]1 ZINC000482883345 515837043 /nfs/dbraw/zinc/83/70/43/515837043.db2.gz YOCXIZGFLMRINB-UHFFFAOYSA-N -1 1 366.830 2.673 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1[N+](=O)[O-] ZINC000479181478 516091390 /nfs/dbraw/zinc/09/13/90/516091390.db2.gz BGBMPJZYBFOLLP-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000497358607 516313943 /nfs/dbraw/zinc/31/39/43/516313943.db2.gz UGECVNVLVCFFKP-SNVBAGLBSA-N -1 1 356.425 2.574 20 5 FFBDMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000535420602 516345813 /nfs/dbraw/zinc/34/58/13/516345813.db2.gz YQNRRZCCYCRSRO-UHFFFAOYSA-N -1 1 357.301 2.581 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000531780907 516638066 /nfs/dbraw/zinc/63/80/66/516638066.db2.gz ZFDROGXBXOOFHQ-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561562414 516655940 /nfs/dbraw/zinc/65/59/40/516655940.db2.gz SDBKZIKHEAXZLB-RFAUZJTJSA-N -1 1 352.343 2.534 20 5 FFBDMM Cc1c[nH]c(=O)n1-c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000544382810 516734663 /nfs/dbraw/zinc/73/46/63/516734663.db2.gz SDQOEOSBCJUZJK-UHFFFAOYSA-N -1 1 352.310 2.840 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1csc2ccccc12 ZINC000525186618 516950847 /nfs/dbraw/zinc/95/08/47/516950847.db2.gz SPDCXWPGAASJQO-UHFFFAOYSA-N -1 1 363.420 2.726 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC2(CC(C)C)CCCC2)c([N+](=O)[O-])n1 ZINC000532855037 517169841 /nfs/dbraw/zinc/16/98/41/517169841.db2.gz ROJQGYYBFYHLQU-UHFFFAOYSA-N -1 1 358.464 2.696 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000520968661 517563991 /nfs/dbraw/zinc/56/39/91/517563991.db2.gz CZKZPZOIRSLSPQ-CQSZACIVSA-N -1 1 374.422 2.941 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000533690911 517572711 /nfs/dbraw/zinc/57/27/11/517572711.db2.gz CJUNRWMGMLPQMD-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000549974692 517810319 /nfs/dbraw/zinc/81/03/19/517810319.db2.gz ZKSAFYAIAFPWIZ-UHFFFAOYSA-N -1 1 364.321 2.819 20 5 FFBDMM COc1cc(-c2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000521676135 517822801 /nfs/dbraw/zinc/82/28/01/517822801.db2.gz BCIPSTQVYJSITR-UHFFFAOYSA-N -1 1 361.285 2.749 20 5 FFBDMM Cc1nc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]c(=O)c1C ZINC000539618481 518124104 /nfs/dbraw/zinc/12/41/04/518124104.db2.gz FPOVRBPPCQBXHO-CYBMUJFWSA-N -1 1 360.395 2.605 20 5 FFBDMM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000531080338 518128803 /nfs/dbraw/zinc/12/88/03/518128803.db2.gz YWJGTSOWDJZJNW-HNNXBMFYSA-N -1 1 363.801 2.987 20 5 FFBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000585733416 518579304 /nfs/dbraw/zinc/57/93/04/518579304.db2.gz UMUOIFCPLHSAQD-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM O=C([O-])c1cnc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000565038423 518756367 /nfs/dbraw/zinc/75/63/67/518756367.db2.gz MWKIADNBLWRBFM-UHFFFAOYSA-N -1 1 374.372 2.539 20 5 FFBDMM C[C@H](c1ccncc1)N1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000580315463 519114113 /nfs/dbraw/zinc/11/41/13/519114113.db2.gz ITVLCLRDVZLXIK-GFCCVEGCSA-N -1 1 371.397 2.721 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c1 ZINC000571930411 519352539 /nfs/dbraw/zinc/35/25/39/519352539.db2.gz PCFMDRNERXGMLX-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM CCOc1ccc(C[C@@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000590891710 519423858 /nfs/dbraw/zinc/42/38/58/519423858.db2.gz KATBKBRHJCMVFQ-GFCCVEGCSA-N -1 1 359.382 2.703 20 5 FFBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000603986696 520421977 /nfs/dbraw/zinc/42/19/77/520421977.db2.gz ACSYXHISYWOIHT-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)s1 ZINC000609767488 520425706 /nfs/dbraw/zinc/42/57/06/520425706.db2.gz JATZGRLBATUNKT-NSHDSACASA-N -1 1 352.437 2.740 20 5 FFBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826498421 607636240 /nfs/dbraw/zinc/63/62/40/607636240.db2.gz UEWSTIHXOBIATF-AWEZNQCLSA-N -1 1 350.382 2.986 20 5 FFBDMM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000833324484 604773194 /nfs/dbraw/zinc/77/31/94/604773194.db2.gz ACFPNUQXSPGSAY-KXFIGUGUSA-N -1 1 353.290 2.818 20 5 FFBDMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000834179269 605447680 /nfs/dbraw/zinc/44/76/80/605447680.db2.gz GYZYTNAZWIWGEQ-RAIGVLPGSA-N -1 1 360.370 2.604 20 5 FFBDMM COc1ccc(CC[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821790760 606703519 /nfs/dbraw/zinc/70/35/19/606703519.db2.gz SIUHVRNIURMOTK-NSHDSACASA-N -1 1 369.385 2.612 20 5 FFBDMM COc1ccc(CC[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821790760 606703521 /nfs/dbraw/zinc/70/35/21/606703521.db2.gz SIUHVRNIURMOTK-NSHDSACASA-N -1 1 369.385 2.612 20 5 FFBDMM CCn1c(C)cc2c1CCC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821564157 606704904 /nfs/dbraw/zinc/70/49/04/606704904.db2.gz VLWDUNVLZDSFLM-CYBMUJFWSA-N -1 1 368.401 2.789 20 5 FFBDMM CCn1c(C)cc2c1CCC[C@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821564157 606704906 /nfs/dbraw/zinc/70/49/06/606704906.db2.gz VLWDUNVLZDSFLM-CYBMUJFWSA-N -1 1 368.401 2.789 20 5 FFBDMM Cc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC(F)F ZINC000822259318 606711165 /nfs/dbraw/zinc/71/11/65/606711165.db2.gz UEMSEIWKIMDAGX-UHFFFAOYSA-N -1 1 363.284 2.823 20 5 FFBDMM Cc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC(F)F ZINC000822259318 606711167 /nfs/dbraw/zinc/71/11/67/606711167.db2.gz UEMSEIWKIMDAGX-UHFFFAOYSA-N -1 1 363.284 2.823 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(Cc2ccccc2)CCC1 ZINC000823620799 606720399 /nfs/dbraw/zinc/72/03/99/606720399.db2.gz QLBRXRJWANQQIH-UHFFFAOYSA-N -1 1 365.397 2.995 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(Cc2ccccc2)CCC1 ZINC000823620799 606720401 /nfs/dbraw/zinc/72/04/01/606720401.db2.gz QLBRXRJWANQQIH-UHFFFAOYSA-N -1 1 365.397 2.995 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc(C(F)(F)F)c1 ZINC000823629750 607161912 /nfs/dbraw/zinc/16/19/12/607161912.db2.gz GKVBSIXEAATKMN-UHFFFAOYSA-N -1 1 352.232 2.981 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc(C(F)(F)F)c1 ZINC000823629750 607161914 /nfs/dbraw/zinc/16/19/14/607161914.db2.gz GKVBSIXEAATKMN-UHFFFAOYSA-N -1 1 352.232 2.981 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2ccc(F)cc2)CC1 ZINC000823612607 607165268 /nfs/dbraw/zinc/16/52/68/607165268.db2.gz CDUYPSCHXAYZSW-UHFFFAOYSA-N -1 1 367.344 2.603 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2ccc(F)cc2)CC1 ZINC000823612607 607165270 /nfs/dbraw/zinc/16/52/70/607165270.db2.gz CDUYPSCHXAYZSW-UHFFFAOYSA-N -1 1 367.344 2.603 20 5 FFBDMM CCOc1cccc([C@H]2C[C@H]2Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000825649341 608588866 /nfs/dbraw/zinc/58/88/66/608588866.db2.gz PJRBCYKSUVVUDY-ZIAGYGMSSA-N -1 1 367.369 2.537 20 5 FFBDMM CCOc1cccc([C@H]2C[C@H]2Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000825649341 608588868 /nfs/dbraw/zinc/58/88/68/608588868.db2.gz PJRBCYKSUVVUDY-ZIAGYGMSSA-N -1 1 367.369 2.537 20 5 FFBDMM COc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101568337 728486481 /nfs/dbraw/zinc/48/64/81/728486481.db2.gz XAOZHYNCTMAVNT-UHFFFAOYSA-N -1 1 356.787 2.735 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000151498077 728745685 /nfs/dbraw/zinc/74/56/85/728745685.db2.gz AZJVZECYTJIUMH-UHFFFAOYSA-N -1 1 368.361 2.883 20 5 FFBDMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000151897138 728747153 /nfs/dbraw/zinc/74/71/53/728747153.db2.gz JSIWCTJLZRKYSK-LLVKDONJSA-N -1 1 366.370 2.674 20 5 FFBDMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000178613989 729166195 /nfs/dbraw/zinc/16/61/95/729166195.db2.gz TVPFENCBMBHDRQ-JTQLQIEISA-N -1 1 370.814 2.780 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1[N+](=O)[O-] ZINC000179624591 729190661 /nfs/dbraw/zinc/19/06/61/729190661.db2.gz FPOPIDGQRUCHQT-UHFFFAOYSA-N -1 1 355.303 2.751 20 5 FFBDMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000192898189 729462473 /nfs/dbraw/zinc/46/24/73/729462473.db2.gz FUKOMDLCWYUDBK-UHFFFAOYSA-N -1 1 361.379 2.744 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2cccc(Br)c2C1 ZINC000194022891 729497583 /nfs/dbraw/zinc/49/75/83/729497583.db2.gz WHBPDQPGBQPZOS-UHFFFAOYSA-N -1 1 364.155 2.614 20 5 FFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000859258366 730447506 /nfs/dbraw/zinc/44/75/06/730447506.db2.gz VFEFYROVHWPBDJ-LLVKDONJSA-N -1 1 350.824 2.732 20 5 FFBDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2C1 ZINC000783864965 738843600 /nfs/dbraw/zinc/84/36/00/738843600.db2.gz YKFDZRXHZXBFNT-INIZCTEOSA-N -1 1 362.407 2.818 20 5 FFBDMM Cc1nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000741856843 735165620 /nfs/dbraw/zinc/16/56/20/735165620.db2.gz YAYDDXUYJZKRJJ-UHFFFAOYSA-N -1 1 351.409 2.717 20 5 FFBDMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757730076 736423092 /nfs/dbraw/zinc/42/30/92/736423092.db2.gz XDSKWCJIQLAZCX-ZCFIWIBFSA-N -1 1 355.185 2.573 20 5 FFBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC000800994335 740576023 /nfs/dbraw/zinc/57/60/23/740576023.db2.gz UIXRINDLSLOFPI-ZETCQYMHSA-N -1 1 367.343 2.623 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000767300818 737312038 /nfs/dbraw/zinc/31/20/38/737312038.db2.gz NRBPPDUPZIODHU-CABCVRRESA-N -1 1 374.846 2.732 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000770481059 737631297 /nfs/dbraw/zinc/63/12/97/737631297.db2.gz NLLJEBQLRCOYIF-ZETCQYMHSA-N -1 1 361.745 2.716 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)s1 ZINC000921642717 738016609 /nfs/dbraw/zinc/01/66/09/738016609.db2.gz HSSGXIVMWGIVQH-ZWNOBZJWSA-N -1 1 374.390 2.984 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCSC2(CCC2)C1 ZINC000921715049 738030423 /nfs/dbraw/zinc/03/04/23/738030423.db2.gz ABSVARNIMFHALW-SNVBAGLBSA-N -1 1 360.432 2.831 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1 ZINC000921718055 738031761 /nfs/dbraw/zinc/03/17/61/738031761.db2.gz UAWBFAPOUWLXFT-BDAKNGLRSA-N -1 1 350.849 2.811 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000921852619 738056056 /nfs/dbraw/zinc/05/60/56/738056056.db2.gz DGSGXDFPANBCNB-NHYWBVRUSA-N -1 1 374.846 2.732 20 5 FFBDMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000775741496 738120395 /nfs/dbraw/zinc/12/03/95/738120395.db2.gz RUKHYEREOOASOJ-AQUOVQTQSA-N -1 1 362.835 2.586 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000777591928 738303429 /nfs/dbraw/zinc/30/34/29/738303429.db2.gz UTURCRKNNQRXDG-UHFFFAOYSA-N -1 1 369.330 2.713 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000795304714 740000538 /nfs/dbraw/zinc/00/05/38/740000538.db2.gz QVSAQQPTOGOIFR-UHFFFAOYSA-N -1 1 356.350 2.784 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000799829769 740456686 /nfs/dbraw/zinc/45/66/86/740456686.db2.gz IGRDHOCNFWZADF-UHFFFAOYSA-N -1 1 363.370 2.736 20 5 FFBDMM C[C@H]1CC(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000801704821 740643345 /nfs/dbraw/zinc/64/33/45/740643345.db2.gz VAIPTTPWLCVJNM-QWRGUYRKSA-N -1 1 360.407 2.606 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCS1 ZINC000809825983 741349491 /nfs/dbraw/zinc/34/94/91/741349491.db2.gz QZQRAYILIUFNAE-LBPRGKRZSA-N -1 1 368.839 2.951 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCS1 ZINC000809825981 741349553 /nfs/dbraw/zinc/34/95/53/741349553.db2.gz QZQRAYILIUFNAE-GFCCVEGCSA-N -1 1 368.839 2.951 20 5 FFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815027875 741885866 /nfs/dbraw/zinc/88/58/66/741885866.db2.gz YFYGUPVUCZFWMH-QMMMGPOBSA-N -1 1 366.798 2.623 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)s1 ZINC000815077265 741896398 /nfs/dbraw/zinc/89/63/98/741896398.db2.gz FSBMFJMWFRRYEN-UHFFFAOYSA-N -1 1 352.315 2.552 20 5 FFBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC000831353300 745519113 /nfs/dbraw/zinc/51/91/13/745519113.db2.gz QESNSZODKIJUNH-ZETCQYMHSA-N -1 1 369.378 2.611 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2nccn21 ZINC000832420943 745695877 /nfs/dbraw/zinc/69/58/77/745695877.db2.gz WFVVZHWOQYLJED-GMSGAONNSA-N -1 1 374.781 2.568 20 5 FFBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841537465 747389430 /nfs/dbraw/zinc/38/94/30/747389430.db2.gz UMFLWOWBPQERGU-DTORHVGOSA-N -1 1 366.798 2.622 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@]1(F)Cl ZINC000845974616 748367836 /nfs/dbraw/zinc/36/78/36/748367836.db2.gz CUYUROSSVDPJFO-RYUDHWBXSA-N -1 1 354.762 2.717 20 5 FFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1 ZINC000849412657 749140829 /nfs/dbraw/zinc/14/08/29/749140829.db2.gz USWNGDNSJUHTGC-ZETCQYMHSA-N -1 1 369.226 2.747 20 5 FFBDMM CC(C)c1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-] ZINC001591953701 976518164 /nfs/dbraw/zinc/51/81/64/976518164.db2.gz AHZCUTFYJGTZII-CQSZACIVSA-N -1 1 373.413 2.845 20 5 FFBDMM C[C@](Cn1cccn1)(NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001592923581 979925941 /nfs/dbraw/zinc/92/59/41/979925941.db2.gz PJQHQPNINSEJPH-CQSZACIVSA-N -1 1 373.196 2.731 20 5 FFBDMM C[C@H](c1ccccc1)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000910374514 981920138 /nfs/dbraw/zinc/92/01/38/981920138.db2.gz USROSSLIYLDOLT-CYBMUJFWSA-N -1 1 356.382 2.571 20 5 FFBDMM CCCCN1C(=O)N=NC1SCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595803991 982627211 /nfs/dbraw/zinc/62/72/11/982627211.db2.gz YDAWLOUERISQJW-UHFFFAOYSA-N -1 1 352.372 2.683 20 5 FFBDMM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811855647 995270624 /nfs/dbraw/zinc/27/06/24/995270624.db2.gz AYZAQHAJFVYWPN-NSHDSACASA-N -1 1 373.331 2.692 20 5 FFBDMM O=C(C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1 ZINC001136840586 996848302 /nfs/dbraw/zinc/84/83/02/996848302.db2.gz XBNDHMYQBNEWJB-QGZVFWFLSA-N -1 1 358.375 2.757 20 5 FFBDMM COc1ccc([C@H](NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C2CC2)cn1 ZINC001599531634 997664998 /nfs/dbraw/zinc/66/49/98/997664998.db2.gz KIGZIQDAFZRACX-QGZVFWFLSA-N -1 1 357.366 2.938 20 5 FFBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001594209326 998809853 /nfs/dbraw/zinc/80/98/53/998809853.db2.gz CKUFMVACWPTMFX-PTEHBNRSSA-N -1 1 360.370 2.718 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1F ZINC000769045677 1000412508 /nfs/dbraw/zinc/41/25/08/1000412508.db2.gz CPDNJGHZTGQXBY-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001192874285 1004297835 /nfs/dbraw/zinc/29/78/35/1004297835.db2.gz FXJJKGHXTFSOIE-QGZVFWFLSA-N -1 1 361.423 2.636 20 5 FFBDMM O=C([N-]N1Cc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000816039162 1006872213 /nfs/dbraw/zinc/87/22/13/1006872213.db2.gz OUGJRGJXPBTXQX-UHFFFAOYSA-N -1 1 365.267 2.914 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccc(CN2CCOCC2)o1 ZINC000887877711 1009662585 /nfs/dbraw/zinc/66/25/85/1009662585.db2.gz NEHNCDAYDVFPGL-UHFFFAOYSA-N -1 1 367.308 2.551 20 5 FFBDMM O=C(NCc1c(Cl)cccc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001171712603 1011432108 /nfs/dbraw/zinc/43/21/08/1011432108.db2.gz DOZLNDODPSWEJU-UHFFFAOYSA-N -1 1 373.699 2.880 20 5 FFBDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000801361713 1018885402 /nfs/dbraw/zinc/88/54/02/1018885402.db2.gz IOHQVCSTLSXKDM-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780070435 1019451750 /nfs/dbraw/zinc/45/17/50/1019451750.db2.gz XVKGEJSGMBKPQN-LBPRGKRZSA-N -1 1 372.377 2.897 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000780076003 1019642598 /nfs/dbraw/zinc/64/25/98/1019642598.db2.gz OKBYMSGEZMTPAG-CHWSQXEVSA-N -1 1 372.377 2.766 20 5 FFBDMM C[C@@H](CNC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780076015 1019644511 /nfs/dbraw/zinc/64/45/11/1019644511.db2.gz OKBYMSGEZMTPAG-STQMWFEESA-N -1 1 372.377 2.766 20 5 FFBDMM O=C([N-][C@H](CO)c1c(F)cccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778424134 1021964060 /nfs/dbraw/zinc/96/40/60/1021964060.db2.gz YCAZJMCEQIJIGG-CYBMUJFWSA-N -1 1 372.274 2.815 20 5 FFBDMM COc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c(Br)c1 ZINC001212893295 1027203172 /nfs/dbraw/zinc/20/31/72/1027203172.db2.gz WITZIFVDBNWNGG-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000784217702 1030515302 /nfs/dbraw/zinc/51/53/02/1030515302.db2.gz UIZYJOJUQKZAFJ-LLVKDONJSA-N -1 1 354.322 2.799 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001535597947 1069849178 /nfs/dbraw/zinc/84/91/78/1069849178.db2.gz WTCPCYAOACRRQD-UONOGXRCSA-N -1 1 354.366 2.711 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])C[C@@H]21 ZINC001225665955 1034358499 /nfs/dbraw/zinc/35/84/99/1034358499.db2.gz DMDVGZAXWCXJFU-WOPDTQHZSA-N -1 1 365.386 2.862 20 5 FFBDMM CC(C)C(=O)N1CC(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227308263 1035500660 /nfs/dbraw/zinc/50/06/60/1035500660.db2.gz BUCRPDLMATUTRJ-UHFFFAOYSA-N -1 1 369.373 2.603 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@H]3COCO3)c([N+](=O)[O-])c2)cc1 ZINC001227703568 1035686448 /nfs/dbraw/zinc/68/64/48/1035686448.db2.gz WAXGOKFGWHZJTD-CQSZACIVSA-N -1 1 359.334 2.592 20 5 FFBDMM CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228145133 1035959989 /nfs/dbraw/zinc/95/99/89/1035959989.db2.gz ZTIROURPAIEZFB-XYPYZODXSA-N -1 1 368.390 2.647 20 5 FFBDMM Cc1nc(O[C@@H]2Cc3ccc(Br)cc3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376406 1036638420 /nfs/dbraw/zinc/63/84/20/1036638420.db2.gz UONKPNSBYYCKPH-LLVKDONJSA-N -1 1 366.171 2.708 20 5 FFBDMM CC1=C[C@H](Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)CC(=O)O1 ZINC001234125515 1036927206 /nfs/dbraw/zinc/92/72/06/1036927206.db2.gz UFKNANZRQWNBAX-JTQLQIEISA-N -1 1 370.313 2.661 20 5 FFBDMM O=[N+]([O-])c1cc(Br)cc(O)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001234878457 1037220270 /nfs/dbraw/zinc/22/02/70/1037220270.db2.gz VODOGDPKDSLHPL-VIFPVBQESA-N -1 1 354.160 2.653 20 5 FFBDMM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248608349 1040339896 /nfs/dbraw/zinc/33/98/96/1040339896.db2.gz ZTLRYQQIWGSZMN-UHFFFAOYSA-N -1 1 357.775 2.640 20 5 FFBDMM CCOC(=O)c1ccnc([N-]c2cnn(Cc3cccnc3)c2)c1[N+](=O)[O-] ZINC001323054881 1046324312 /nfs/dbraw/zinc/32/43/12/1046324312.db2.gz IKPWETPZTBVQGK-UHFFFAOYSA-N -1 1 368.353 2.550 20 5 FFBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001303298895 1051323804 /nfs/dbraw/zinc/32/38/04/1051323804.db2.gz LIVOPUMROVXYMY-UHFFFAOYSA-N -1 1 364.741 2.655 20 5 FFBDMM CCCCCC[C@@](C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OCC ZINC001543172074 1071402617 /nfs/dbraw/zinc/40/26/17/1071402617.db2.gz XYMMMONUPNVSKM-QGZVFWFLSA-N -1 1 367.402 2.717 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001543810429 1071550265 /nfs/dbraw/zinc/55/02/65/1071550265.db2.gz JOWOZSDRWFNGRN-UHFFFAOYSA-N -1 1 368.353 2.556 20 5 FFBDMM O=C([O-])CCC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC001574693166 1078062883 /nfs/dbraw/zinc/06/28/83/1078062883.db2.gz BZRXRAUTLFJNRO-UHFFFAOYSA-N -1 1 372.381 2.702 20 5 FFBDMM C[C@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001575117040 1078108240 /nfs/dbraw/zinc/10/82/40/1078108240.db2.gz KPHPXGCPKYSIQG-MRVPVSSYSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001575117040 1078108243 /nfs/dbraw/zinc/10/82/43/1078108243.db2.gz KPHPXGCPKYSIQG-MRVPVSSYSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001473852484 1065390414 /nfs/dbraw/zinc/39/04/14/1065390414.db2.gz ZDRCNXKLNRFLIG-TZMCWYRMSA-N -1 1 365.430 2.893 20 5 FFBDMM O=C(N[C@H](CCc1ccccc1)C(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559014380 1076115342 /nfs/dbraw/zinc/11/53/42/1076115342.db2.gz APRVMRSPCPRIBI-CYBMUJFWSA-N -1 1 351.309 2.692 20 5 FFBDMM Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC001559219190 1076135950 /nfs/dbraw/zinc/13/59/50/1076135950.db2.gz HADQGLRMNPREDI-UHFFFAOYSA-N -1 1 352.354 2.635 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)cc1F ZINC001561263953 1076354288 /nfs/dbraw/zinc/35/42/88/1076354288.db2.gz IYUPXEJRGGHLTJ-GFCCVEGCSA-N -1 1 368.386 2.788 20 5 FFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)nc1 ZINC001561631653 1076400899 /nfs/dbraw/zinc/40/08/99/1076400899.db2.gz ARFYWRCCFHLZMF-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC2(CCC2)O1 ZINC001561980538 1076459465 /nfs/dbraw/zinc/45/94/65/1076459465.db2.gz VRHMCBNJWVCUFW-NSHDSACASA-N -1 1 358.391 2.504 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCS1 ZINC001561986036 1076460682 /nfs/dbraw/zinc/46/06/82/1076460682.db2.gz MIARPPVZNGOGJX-YUMQZZPRSA-N -1 1 368.839 2.950 20 5 FFBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccco2)cc1 ZINC001570380502 1077202689 /nfs/dbraw/zinc/20/26/89/1077202689.db2.gz ZLLWQQWKVHBLIJ-INIZCTEOSA-N -1 1 369.333 2.816 20 5 FFBDMM CC(C)Oc1nc(NCc2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC001574342128 1077962964 /nfs/dbraw/zinc/96/29/64/1077962964.db2.gz LAQGKOXSLIIUAX-UHFFFAOYSA-N -1 1 361.387 2.631 20 5 FFBDMM CC(=O)c1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)sc1[N+](=O)[O-])C2 ZINC001588918861 1080265074 /nfs/dbraw/zinc/26/50/74/1080265074.db2.gz UVUOYEYSPYFBQX-UHFFFAOYSA-N -1 1 356.367 2.559 20 5 FFBDMM CC(=O)c1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)sc1[N+](=O)[O-])C2 ZINC001588918861 1080265081 /nfs/dbraw/zinc/26/50/81/1080265081.db2.gz UVUOYEYSPYFBQX-UHFFFAOYSA-N -1 1 356.367 2.559 20 5 FFBDMM CC(C)C[C@@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589549648 1080600778 /nfs/dbraw/zinc/60/07/78/1080600778.db2.gz BWQPEJIKRGUZLR-LLVKDONJSA-N -1 1 356.386 2.772 20 5 FFBDMM C[C@@H](O)C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994989 1080927349 /nfs/dbraw/zinc/92/73/49/1080927349.db2.gz BAIAZNPHZAJJSZ-TZMCWYRMSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@@H](O)C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994989 1080927354 /nfs/dbraw/zinc/92/73/54/1080927354.db2.gz BAIAZNPHZAJJSZ-TZMCWYRMSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590164129 1081063692 /nfs/dbraw/zinc/06/36/92/1081063692.db2.gz AZVLZYGBSVWEKQ-KCJUWKMLSA-N -1 1 356.308 2.942 20 5 FFBDMM CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C)c1 ZINC000066000202 506409866 /nfs/dbraw/zinc/40/98/66/506409866.db2.gz PWSQFQZJYQSRMV-UHFFFAOYSA-N -1 1 369.468 2.770 20 5 FFBDMM CCOc1cc(C(=O)[N-]c2nnc(CC)s2)c([N+](=O)[O-])cc1OC ZINC000007921407 506602296 /nfs/dbraw/zinc/60/22/96/506602296.db2.gz PKRZNVBTQHYOQP-UHFFFAOYSA-N -1 1 352.372 2.668 20 5 FFBDMM CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]c1=S ZINC000067073402 506748608 /nfs/dbraw/zinc/74/86/08/506748608.db2.gz HJBDGMBFYKVUPH-UHFFFAOYSA-N -1 1 353.379 2.541 20 5 FFBDMM CC(C)(C)c1nsc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000068073740 507100230 /nfs/dbraw/zinc/10/02/30/507100230.db2.gz SUQYFPMOESOAJK-UHFFFAOYSA-N -1 1 364.383 2.767 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000093906524 508159008 /nfs/dbraw/zinc/15/90/08/508159008.db2.gz DDVQUUHICIGRGN-UHFFFAOYSA-N -1 1 354.359 2.863 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000076308614 508185128 /nfs/dbraw/zinc/18/51/28/508185128.db2.gz NPVHHYPYMVNKRH-JTQLQIEISA-N -1 1 361.217 2.744 20 5 FFBDMM Cc1ccc(Sc2ccc(C(=O)Nc3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000102894775 508288192 /nfs/dbraw/zinc/28/81/92/508288192.db2.gz PPAYWTGMZGDESC-UHFFFAOYSA-N -1 1 356.367 2.820 20 5 FFBDMM Cc1ccc(Sc2ccc(C(=O)Nc3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000102894775 508288195 /nfs/dbraw/zinc/28/81/95/508288195.db2.gz PPAYWTGMZGDESC-UHFFFAOYSA-N -1 1 356.367 2.820 20 5 FFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CO2 ZINC000152563713 508470852 /nfs/dbraw/zinc/47/08/52/508470852.db2.gz BQOUPOAWWVUWGP-CYBMUJFWSA-N -1 1 368.798 2.969 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000116601997 508537000 /nfs/dbraw/zinc/53/70/00/508537000.db2.gz KJSXTDPBHMXFSV-UHFFFAOYSA-N -1 1 374.378 2.590 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000118161606 508637362 /nfs/dbraw/zinc/63/73/62/508637362.db2.gz SBMGQTKFXNHANW-UHFFFAOYSA-N -1 1 362.342 2.720 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccc(C)o1 ZINC000192005646 509291220 /nfs/dbraw/zinc/29/12/20/509291220.db2.gz MCFJMUATQBSXBW-ZDUSSCGKSA-N -1 1 368.411 2.779 20 5 FFBDMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000185743016 509334852 /nfs/dbraw/zinc/33/48/52/509334852.db2.gz ILJRLACBKZJIBK-GUYCJALGSA-N -1 1 371.393 2.914 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000185965495 509453940 /nfs/dbraw/zinc/45/39/40/509453940.db2.gz ANSZBHFMMNTMBZ-LLVKDONJSA-N -1 1 374.378 2.684 20 5 FFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000176528878 509564306 /nfs/dbraw/zinc/56/43/06/509564306.db2.gz HILPSLWSZKBZBZ-UHFFFAOYSA-N -1 1 367.774 2.629 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccc(F)cc1 ZINC000173735837 509746126 /nfs/dbraw/zinc/74/61/26/509746126.db2.gz FSNYNPIVPFTGIB-VIFPVBQESA-N -1 1 360.388 2.541 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000190021925 509891662 /nfs/dbraw/zinc/89/16/62/509891662.db2.gz LUPXBETWQZSCQM-UHFFFAOYSA-N -1 1 355.441 2.709 20 5 FFBDMM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193463511 509925541 /nfs/dbraw/zinc/92/55/41/509925541.db2.gz OMJPPBFLMYUQKU-CZUORRHYSA-N -1 1 357.366 2.593 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000186987016 509989409 /nfs/dbraw/zinc/98/94/09/509989409.db2.gz DMVFYHMGDLMZCZ-AWEZNQCLSA-N -1 1 363.757 2.563 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000183844575 510003465 /nfs/dbraw/zinc/00/34/65/510003465.db2.gz PXHDRZCKQZTUCD-STQMWFEESA-N -1 1 368.436 2.855 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000187196578 510115487 /nfs/dbraw/zinc/11/54/87/510115487.db2.gz OFVDMIFIPHAKKF-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000268981584 510173835 /nfs/dbraw/zinc/17/38/35/510173835.db2.gz PDMUURHJHWOVEA-SNVBAGLBSA-N -1 1 360.819 2.628 20 5 FFBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000188185622 510637261 /nfs/dbraw/zinc/63/72/61/510637261.db2.gz BTEJOZHTEBWAIX-CQSZACIVSA-N -1 1 355.354 2.699 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000330462967 510983243 /nfs/dbraw/zinc/98/32/43/510983243.db2.gz YYUJNUAPFLFICI-NEPJUHHUSA-N -1 1 358.464 2.694 20 5 FFBDMM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000365220324 511323709 /nfs/dbraw/zinc/32/37/09/511323709.db2.gz LWZUGBPUDQQPQL-XHDPSFHLSA-N -1 1 357.366 2.927 20 5 FFBDMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296153083 511636740 /nfs/dbraw/zinc/63/67/40/511636740.db2.gz KFNXSFMQUUKSPX-CBAPKCEASA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000296385265 511722327 /nfs/dbraw/zinc/72/23/27/511722327.db2.gz YKZKARSAPLGCBH-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303010928 511722894 /nfs/dbraw/zinc/72/28/94/511722894.db2.gz WXWNBMXGLHRIQP-UHFFFAOYSA-N -1 1 371.271 2.523 20 5 FFBDMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000327169909 511871030 /nfs/dbraw/zinc/87/10/30/511871030.db2.gz KPZRJGGJZSMDPW-UHFFFAOYSA-N -1 1 364.379 2.758 20 5 FFBDMM CCOc1cc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)cc(Cl)c1[O-] ZINC000350789222 511882368 /nfs/dbraw/zinc/88/23/68/511882368.db2.gz ZADXLHHABKVXAE-UHFFFAOYSA-N -1 1 365.733 2.647 20 5 FFBDMM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274981661 512006798 /nfs/dbraw/zinc/00/67/98/512006798.db2.gz POGRFIHKTATBKI-CQSZACIVSA-N -1 1 367.365 2.559 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc2c1CCCN2 ZINC000376744765 512969115 /nfs/dbraw/zinc/96/91/15/512969115.db2.gz WDTAVODYESNCLG-UHFFFAOYSA-N -1 1 365.386 2.571 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)[nH]n2)o1 ZINC000446647761 513304702 /nfs/dbraw/zinc/30/47/02/513304702.db2.gz LJBNPMYMLAAJOF-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM COc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000435717879 513667215 /nfs/dbraw/zinc/66/72/15/513667215.db2.gz SVBGSXOZGQDHEX-UHFFFAOYSA-N -1 1 352.368 2.727 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000435809302 513689081 /nfs/dbraw/zinc/68/90/81/513689081.db2.gz PDUKHTYKRCRQKR-SNVBAGLBSA-N -1 1 364.383 2.597 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(C3CC3)c2)c([N+](=O)[O-])n1 ZINC000451586261 513848810 /nfs/dbraw/zinc/84/88/10/513848810.db2.gz GGSBECCTFNCVAQ-NSHDSACASA-N -1 1 364.427 2.728 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443120158 513878051 /nfs/dbraw/zinc/87/80/51/513878051.db2.gz NQNSJQFOYCASMR-UHFFFAOYSA-N -1 1 366.757 2.901 20 5 FFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c([N+](=O)[O-])c2)[n-]c1=O ZINC000432708918 514263919 /nfs/dbraw/zinc/26/39/19/514263919.db2.gz QGKRYKYSNFNEJY-YFHOEESVSA-N -1 1 359.338 2.836 20 5 FFBDMM O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccc([O-])cc4F)no3)nn2)c1 ZINC000445463296 514483291 /nfs/dbraw/zinc/48/32/91/514483291.db2.gz OZAHVEVLMZTEOC-UHFFFAOYSA-N -1 1 368.284 2.737 20 5 FFBDMM COc1cc(Cc2noc(-c3ccccc3[O-])n2)c([N+](=O)[O-])c(OC)c1 ZINC000445817856 514526768 /nfs/dbraw/zinc/52/67/68/514526768.db2.gz HYQQCEJVUOHVFW-UHFFFAOYSA-N -1 1 357.322 2.958 20 5 FFBDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc12 ZINC000461340963 514573115 /nfs/dbraw/zinc/57/31/15/514573115.db2.gz JJWGIIORAYJBOV-UHFFFAOYSA-N -1 1 360.395 2.899 20 5 FFBDMM CC(C)n1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000485426406 515037276 /nfs/dbraw/zinc/03/72/76/515037276.db2.gz OOSPNCLAPULTMR-UHFFFAOYSA-N -1 1 355.354 2.556 20 5 FFBDMM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000480721990 515058497 /nfs/dbraw/zinc/05/84/97/515058497.db2.gz WSYBKGDPKBHOGW-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM CCc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000499266889 515260793 /nfs/dbraw/zinc/26/07/93/515260793.db2.gz TVMPAFALPYHXPE-UHFFFAOYSA-N -1 1 352.368 2.678 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000481951903 515526020 /nfs/dbraw/zinc/52/60/20/515526020.db2.gz SDSCSOCDRAHBFV-HSZRJFAPSA-N -1 1 368.436 2.750 20 5 FFBDMM CCC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000479227123 516117556 /nfs/dbraw/zinc/11/75/56/516117556.db2.gz NTTKMXBKPQCNLE-UHFFFAOYSA-N -1 1 363.233 2.968 20 5 FFBDMM O=C1[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000470455490 516256308 /nfs/dbraw/zinc/25/63/08/516256308.db2.gz IRLLYMRSTOMCNE-AWEZNQCLSA-N -1 1 372.406 2.865 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000543657848 516350225 /nfs/dbraw/zinc/35/02/25/516350225.db2.gz QPKPUJSZZLOUBK-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CN(C(=O)[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000555500131 516945256 /nfs/dbraw/zinc/94/52/56/516945256.db2.gz DPGKMUMZVSDPBY-AWEZNQCLSA-N -1 1 355.394 2.785 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000525188974 516952181 /nfs/dbraw/zinc/95/21/81/516952181.db2.gz LOYLFHKHFAHWGP-GZMMTYOYSA-N -1 1 371.777 2.617 20 5 FFBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000537364749 517156918 /nfs/dbraw/zinc/15/69/18/517156918.db2.gz YWADDDVXHRREPH-ZDUSSCGKSA-N -1 1 374.740 2.680 20 5 FFBDMM Cn1ncc2c1nc(Oc1ccc(Br)cc1[N+](=O)[O-])[n-]c2=O ZINC000537828682 517363625 /nfs/dbraw/zinc/36/36/25/517363625.db2.gz AIXGNRSDCZJIDZ-UHFFFAOYSA-N -1 1 366.131 2.532 20 5 FFBDMM CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000552740329 517372154 /nfs/dbraw/zinc/37/21/54/517372154.db2.gz AJNDHUNPHAMQDG-UHFFFAOYSA-N -1 1 368.367 2.509 20 5 FFBDMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000549186556 517445233 /nfs/dbraw/zinc/44/52/33/517445233.db2.gz YUQAOYTUZFSFTB-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553755092 517885744 /nfs/dbraw/zinc/88/57/44/517885744.db2.gz XCOLBBBZBFHVPS-JLJPHGGASA-N -1 1 371.393 2.777 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c([N+](=O)[O-])n1 ZINC000578471290 518224562 /nfs/dbraw/zinc/22/45/62/518224562.db2.gz PNWPSFLDZWDMCC-UHFFFAOYSA-N -1 1 366.424 2.504 20 5 FFBDMM Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564334721 518404842 /nfs/dbraw/zinc/40/48/42/518404842.db2.gz IADZTSCTMZNDTA-STQMWFEESA-N -1 1 351.403 2.513 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000584814505 518488404 /nfs/dbraw/zinc/48/84/04/518488404.db2.gz RARWRNMBIBXXHA-GXTWGEPZSA-N -1 1 365.386 2.744 20 5 FFBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000580130615 519020634 /nfs/dbraw/zinc/02/06/34/519020634.db2.gz CEZPAOMOOHXKCM-UHFFFAOYSA-N -1 1 356.310 2.759 20 5 FFBDMM O=C([O-])c1ccnc(NC[C@@H](c2ccco2)N2CCCCC2)c1[N+](=O)[O-] ZINC000574210222 519040606 /nfs/dbraw/zinc/04/06/06/519040606.db2.gz OYIJDOBWPFCCCB-ZDUSSCGKSA-N -1 1 360.370 2.920 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000574230909 519051452 /nfs/dbraw/zinc/05/14/52/519051452.db2.gz DMWVESZDINTYSE-GFCCVEGCSA-N -1 1 373.862 2.543 20 5 FFBDMM Cc1cc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580556184 519238190 /nfs/dbraw/zinc/23/81/90/519238190.db2.gz GOXXQWWUMNMWAB-STQMWFEESA-N -1 1 365.430 2.901 20 5 FFBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000578330495 519539730 /nfs/dbraw/zinc/53/97/30/519539730.db2.gz PBTXIOYLOCHMEF-KOLCDFICSA-N -1 1 374.340 2.542 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594472830 519982714 /nfs/dbraw/zinc/98/27/14/519982714.db2.gz GKMPTUPSAJITOM-UONOGXRCSA-N -1 1 374.846 2.874 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000594744993 520128553 /nfs/dbraw/zinc/12/85/53/520128553.db2.gz QQELSHOOCWJITC-AWEZNQCLSA-N -1 1 353.375 2.805 20 5 FFBDMM Cc1ccc(-c2cc(=NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)[nH][n-]2)s1 ZINC000609240729 520242176 /nfs/dbraw/zinc/24/21/76/520242176.db2.gz JZQOCYIVMDRLCS-UHFFFAOYSA-N -1 1 361.358 2.750 20 5 FFBDMM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597853056 520283164 /nfs/dbraw/zinc/28/31/64/520283164.db2.gz QWZNYUNNENFQFO-MRXNPFEDSA-N -1 1 371.393 2.719 20 5 FFBDMM COc1cc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595279433 520383819 /nfs/dbraw/zinc/38/38/19/520383819.db2.gz MLELBCLQKYLTDF-JGZJWPJOSA-N -1 1 374.340 2.542 20 5 FFBDMM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878305 520388691 /nfs/dbraw/zinc/38/86/91/520388691.db2.gz SFGQYNZBUVXPDL-UHFFFAOYSA-N -1 1 354.322 2.708 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000595367232 520432561 /nfs/dbraw/zinc/43/25/61/520432561.db2.gz YPDAHNZGWORGHA-CYBMUJFWSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734910 520816575 /nfs/dbraw/zinc/81/65/75/520816575.db2.gz QSDYMOFFFHRMCG-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)nc1 ZINC000593562635 521077936 /nfs/dbraw/zinc/07/79/36/521077936.db2.gz VYOQSRDBBZJWJP-ONGXEEELSA-N -1 1 367.349 2.637 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599211653 521090667 /nfs/dbraw/zinc/09/06/67/521090667.db2.gz QYWRKHYVUYNEDK-CYBMUJFWSA-N -1 1 372.834 2.657 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)s1 ZINC000599467234 521241760 /nfs/dbraw/zinc/24/17/60/521241760.db2.gz UNVHNDQWNIBGHT-CUOATXAZSA-N -1 1 370.839 2.926 20 5 FFBDMM CC1(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000599472504 521246097 /nfs/dbraw/zinc/24/60/97/521246097.db2.gz HRYRUZJPXIDJSO-UHFFFAOYSA-N -1 1 360.819 2.676 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CNCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000738069002 599859560 /nfs/dbraw/zinc/85/95/60/599859560.db2.gz ULYKNUIQZSDDJW-UHFFFAOYSA-N -1 1 374.393 2.973 20 5 FFBDMM O=C([O-])c1cc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000738672088 600273175 /nfs/dbraw/zinc/27/31/75/600273175.db2.gz CPIOIFIRAUEWQU-KRWDZBQOSA-N -1 1 370.361 2.724 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000827444813 603542381 /nfs/dbraw/zinc/54/23/81/603542381.db2.gz ONLFISCDWOZNSL-GFCCVEGCSA-N -1 1 351.403 2.862 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1[N+](=O)[O-] ZINC000827097160 604858763 /nfs/dbraw/zinc/85/87/63/604858763.db2.gz GCPXOQITHMFQSX-UHFFFAOYSA-N -1 1 360.370 2.558 20 5 FFBDMM O=C([O-])N1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739926291 605630921 /nfs/dbraw/zinc/63/09/21/605630921.db2.gz GUDMDVPSYPXHSR-LBPRGKRZSA-N -1 1 362.411 2.950 20 5 FFBDMM CCCCOc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821077975 606698058 /nfs/dbraw/zinc/69/80/58/606698058.db2.gz ZCMYKAWIIGRNEM-UHFFFAOYSA-N -1 1 369.385 2.961 20 5 FFBDMM CCCCOc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821077975 606698059 /nfs/dbraw/zinc/69/80/59/606698059.db2.gz ZCMYKAWIIGRNEM-UHFFFAOYSA-N -1 1 369.385 2.961 20 5 FFBDMM COc1ccccc1C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821883366 606703286 /nfs/dbraw/zinc/70/32/86/606703286.db2.gz UKQWRIYACKHHNO-UHFFFAOYSA-N -1 1 369.385 2.568 20 5 FFBDMM COc1ccccc1C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821883366 606703287 /nfs/dbraw/zinc/70/32/87/606703287.db2.gz UKQWRIYACKHHNO-UHFFFAOYSA-N -1 1 369.385 2.568 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2cccc(F)c2)CC1 ZINC000823620294 606716245 /nfs/dbraw/zinc/71/62/45/606716245.db2.gz JPYSLDOIOQOERM-UHFFFAOYSA-N -1 1 369.360 2.693 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2cccc(F)c2)CC1 ZINC000823620294 606716247 /nfs/dbraw/zinc/71/62/47/606716247.db2.gz JPYSLDOIOQOERM-UHFFFAOYSA-N -1 1 369.360 2.693 20 5 FFBDMM O=C([N-]c1nc2ccccn2n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000538417863 673439400 /nfs/dbraw/zinc/43/94/00/673439400.db2.gz YYENTUICDDSSBT-UHFFFAOYSA-N -1 1 351.244 2.909 20 5 FFBDMM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152652821 728762904 /nfs/dbraw/zinc/76/29/04/728762904.db2.gz KUACCPLCHKMILM-UHFFFAOYSA-N -1 1 364.770 2.712 20 5 FFBDMM CCCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1=O ZINC000743836154 735321466 /nfs/dbraw/zinc/32/14/66/735321466.db2.gz MHWANKYRUSFLGP-UHFFFAOYSA-N -1 1 371.802 2.621 20 5 FFBDMM O=C(CSc1ccc(F)c(F)c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000746244810 735472500 /nfs/dbraw/zinc/47/25/00/735472500.db2.gz LXRRWWJTTJNMMD-UHFFFAOYSA-N -1 1 352.318 2.922 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000026236030 727867049 /nfs/dbraw/zinc/86/70/49/727867049.db2.gz FFLFHWRSUPUSRW-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OC ZINC000746701817 735506377 /nfs/dbraw/zinc/50/63/77/735506377.db2.gz JNEXPTRVSXSICB-ZDUSSCGKSA-N -1 1 362.423 2.854 20 5 FFBDMM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119604494 728597084 /nfs/dbraw/zinc/59/70/84/728597084.db2.gz XAPNCSQLMCEXPC-MRVPVSSYSA-N -1 1 360.388 2.844 20 5 FFBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119932882 728602741 /nfs/dbraw/zinc/60/27/41/728602741.db2.gz QKUJQULUCPHTMN-VIFPVBQESA-N -1 1 371.396 2.912 20 5 FFBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCCC2 ZINC000174032744 729061013 /nfs/dbraw/zinc/06/10/13/729061013.db2.gz ISRNXTPHHZUNIC-ZIAGYGMSSA-N -1 1 372.418 2.750 20 5 FFBDMM O=[N+]([O-])c1cccc2c1CCN2Cn1[n-]c(-c2ccccn2)nc1=S ZINC000178918620 729173508 /nfs/dbraw/zinc/17/35/08/729173508.db2.gz YIEWUOWDEJADAW-UHFFFAOYSA-N -1 1 354.395 2.931 20 5 FFBDMM COc1ccc(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194355612 729508400 /nfs/dbraw/zinc/50/84/00/729508400.db2.gz XBRJQBKKZBQWHJ-UHFFFAOYSA-N -1 1 368.386 2.654 20 5 FFBDMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194667837 729517523 /nfs/dbraw/zinc/51/75/23/729517523.db2.gz YRNKFBIRQOJDED-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1([C@H]2CCCCO2)CCC1 ZINC000867879690 731237642 /nfs/dbraw/zinc/23/76/42/731237642.db2.gz SLAWQXDGFUZCCI-CYBMUJFWSA-N -1 1 358.391 2.504 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(Cl)n1 ZINC000781921088 738672979 /nfs/dbraw/zinc/67/29/79/738672979.db2.gz SNDMQPZWLVKMRS-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000725821638 734393695 /nfs/dbraw/zinc/39/36/95/734393695.db2.gz WFLRAJMVHYSGHR-LURJTMIESA-N -1 1 359.618 2.720 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730203821 734621269 /nfs/dbraw/zinc/62/12/69/734621269.db2.gz DMZZHVLVXPEXOQ-UHFFFAOYSA-N -1 1 362.342 2.720 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000733318594 734808017 /nfs/dbraw/zinc/80/80/17/734808017.db2.gz AUXKAZAHUBJHHG-UHFFFAOYSA-N -1 1 350.849 2.670 20 5 FFBDMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000742324480 735227001 /nfs/dbraw/zinc/22/70/01/735227001.db2.gz WVVQNBSVFBFKNP-JTQLQIEISA-N -1 1 356.375 2.935 20 5 FFBDMM O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OS(=O)(=O)c1c[n-]cn1 ZINC000748069631 735614462 /nfs/dbraw/zinc/61/44/62/735614462.db2.gz WAYZSTOYLKVFGP-UHFFFAOYSA-N -1 1 359.363 2.676 20 5 FFBDMM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751249220 735857895 /nfs/dbraw/zinc/85/78/95/735857895.db2.gz NLOYLLNKZSZLPZ-JTQLQIEISA-N -1 1 370.814 2.863 20 5 FFBDMM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1C1CC1 ZINC000901900138 735863756 /nfs/dbraw/zinc/86/37/56/735863756.db2.gz MMEFFQDRCNFYRY-QWHCGFSZSA-N -1 1 356.325 2.739 20 5 FFBDMM C[C@H](NCc1cn(C)nc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903187550 736051158 /nfs/dbraw/zinc/05/11/58/736051158.db2.gz FDMBPLRBUSVZKE-QMMMGPOBSA-N -1 1 355.192 2.647 20 5 FFBDMM CCCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000757723008 736422540 /nfs/dbraw/zinc/42/25/40/736422540.db2.gz NBZXYQDULNWDOM-UHFFFAOYSA-N -1 1 357.819 2.938 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000762595427 736842609 /nfs/dbraw/zinc/84/26/09/736842609.db2.gz SNDFFRDYRXSCPO-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000910454460 737076526 /nfs/dbraw/zinc/07/65/26/737076526.db2.gz DCJSLQUULFJQLT-JTQLQIEISA-N -1 1 361.320 2.599 20 5 FFBDMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768880295 737471435 /nfs/dbraw/zinc/47/14/35/737471435.db2.gz GTZSXOWHTRWBNZ-UHFFFAOYSA-N -1 1 370.408 2.819 20 5 FFBDMM CC(C)=CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795945853 740083470 /nfs/dbraw/zinc/08/34/70/740083470.db2.gz UEZOEPLYBLBTAK-UHFFFAOYSA-N -1 1 367.196 2.741 20 5 FFBDMM CC(=O)OCCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000799541175 740427744 /nfs/dbraw/zinc/42/77/44/740427744.db2.gz WSTHRGHHFTWBRX-UHFFFAOYSA-N -1 1 364.379 2.501 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000800166518 740495383 /nfs/dbraw/zinc/49/53/83/740495383.db2.gz RPONOPHFADHGFN-CQSZACIVSA-N -1 1 374.846 2.876 20 5 FFBDMM CCOC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809836308 741351777 /nfs/dbraw/zinc/35/17/77/741351777.db2.gz YKFSSGIACUGESC-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM O=C([N-]C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000810065929 741379950 /nfs/dbraw/zinc/37/99/50/741379950.db2.gz GDCQEFIPFSTFJK-SECBINFHSA-N -1 1 351.350 2.547 20 5 FFBDMM CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815036034 741888424 /nfs/dbraw/zinc/88/84/24/741888424.db2.gz NJTXTNCULJRPKZ-NSHDSACASA-N -1 1 368.814 2.727 20 5 FFBDMM COCCC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815043911 741889611 /nfs/dbraw/zinc/88/96/11/741889611.db2.gz ZNOHKXDIPIKJNZ-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)(C)O ZINC000815081795 741898262 /nfs/dbraw/zinc/89/82/62/741898262.db2.gz OTTJEXVSHRZALS-NSHDSACASA-N -1 1 371.242 2.729 20 5 FFBDMM CC[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br)OC ZINC000817391235 742135928 /nfs/dbraw/zinc/13/59/28/742135928.db2.gz CBLMZXPDSBJBNY-MRVPVSSYSA-N -1 1 367.221 2.524 20 5 FFBDMM CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC ZINC000831597787 745552072 /nfs/dbraw/zinc/55/20/72/745552072.db2.gz NWWWWXGKTOXOJL-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2=CCOCC2)c(Cl)cc1Cl ZINC000831835606 745591980 /nfs/dbraw/zinc/59/19/80/745591980.db2.gz URZRSTVKZTVHHY-UHFFFAOYSA-N -1 1 367.210 2.527 20 5 FFBDMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832713971 745745958 /nfs/dbraw/zinc/74/59/58/745745958.db2.gz VDBHDRGZLLQUFP-DGCLKSJQSA-N -1 1 362.835 2.874 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CS1 ZINC000841561647 747400599 /nfs/dbraw/zinc/40/05/99/747400599.db2.gz SHNFBJJTBDYYRW-RNFRBKRXSA-N -1 1 354.812 2.560 20 5 FFBDMM O=C([O-])C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844837282 748113138 /nfs/dbraw/zinc/11/31/38/748113138.db2.gz YKSHGAHPKHEMCE-NSHDSACASA-N -1 1 355.778 2.516 20 5 FFBDMM C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000382043274 970976543 /nfs/dbraw/zinc/97/65/43/970976543.db2.gz UUXBQRSPWUMLCH-XJKSGUPXSA-N -1 1 355.394 2.693 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(Sc2ccccc2)CC1 ZINC000823620502 946457335 /nfs/dbraw/zinc/45/73/35/946457335.db2.gz MGGIGWDAFHTEKJ-UHFFFAOYSA-N -1 1 369.410 2.907 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(Sc2ccccc2)CC1 ZINC000823620502 946457342 /nfs/dbraw/zinc/45/73/42/946457342.db2.gz MGGIGWDAFHTEKJ-UHFFFAOYSA-N -1 1 369.410 2.907 20 5 FFBDMM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001595014830 951278673 /nfs/dbraw/zinc/27/86/73/951278673.db2.gz DVLRZVGQBSVSIE-GFCCVEGCSA-N -1 1 372.381 2.702 20 5 FFBDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000773578033 1013710395 /nfs/dbraw/zinc/71/03/95/1013710395.db2.gz DRLMZRRGPKXZMG-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@H](C(=O)[O-])C1 ZINC001591791078 975981010 /nfs/dbraw/zinc/98/10/10/975981010.db2.gz IBLVJVLSHRPPSX-CYBMUJFWSA-N -1 1 354.428 2.632 20 5 FFBDMM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001211784073 977888768 /nfs/dbraw/zinc/88/87/68/977888768.db2.gz BJNXSTNHWCZXEQ-UHFFFAOYSA-N -1 1 371.390 2.861 20 5 FFBDMM COc1cccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001167935903 978193360 /nfs/dbraw/zinc/19/33/60/978193360.db2.gz FLAKUKYEELWRHH-UHFFFAOYSA-N -1 1 364.294 2.688 20 5 FFBDMM CNc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cccc1[N+](=O)[O-] ZINC000765519666 985160661 /nfs/dbraw/zinc/16/06/61/985160661.db2.gz UUDQUNYBDIJZCO-UHFFFAOYSA-N -1 1 370.317 2.806 20 5 FFBDMM CC[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001597349521 987485864 /nfs/dbraw/zinc/48/58/64/987485864.db2.gz NALSGYOGAQHWJO-HNNXBMFYSA-N -1 1 363.414 2.539 20 5 FFBDMM COc1cccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1OC ZINC001599673758 994859236 /nfs/dbraw/zinc/85/92/36/994859236.db2.gz JFSADAYVDNRTSM-GOSISDBHSA-N -1 1 360.366 2.702 20 5 FFBDMM COc1ccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])cc1[N+](=O)[O-] ZINC001599571716 998376136 /nfs/dbraw/zinc/37/61/36/998376136.db2.gz WZDLJQDQFOOEOT-LBPRGKRZSA-N -1 1 360.366 2.918 20 5 FFBDMM C[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC001594302132 999167666 /nfs/dbraw/zinc/16/76/66/999167666.db2.gz IMMTZOYMVDVBAG-IJLUTSLNSA-N -1 1 350.371 2.598 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCSc2ccccc21 ZINC000769048914 1000411839 /nfs/dbraw/zinc/41/18/39/1000411839.db2.gz UAUFSKBAYWFMED-UHFFFAOYSA-N -1 1 374.374 2.596 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCc2ccccc21 ZINC000769047532 1000412835 /nfs/dbraw/zinc/41/28/35/1000412835.db2.gz OIDZDRQOILHJGY-LBPRGKRZSA-N -1 1 370.361 2.825 20 5 FFBDMM Cc1noc([C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C(C)C)n1 ZINC001196219863 1003710190 /nfs/dbraw/zinc/71/01/90/1003710190.db2.gz OXSANAWXWZIIFK-CQSZACIVSA-N -1 1 368.415 2.579 20 5 FFBDMM Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000804514050 1003716797 /nfs/dbraw/zinc/71/67/97/1003716797.db2.gz VOAMXVWHQVSPLK-KRWDZBQOSA-N -1 1 371.393 2.590 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CSc2ccccc21 ZINC001190621786 1007707210 /nfs/dbraw/zinc/70/72/10/1007707210.db2.gz QEIFFMGMTRVOQA-SNVBAGLBSA-N -1 1 368.411 2.902 20 5 FFBDMM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203698 1018735359 /nfs/dbraw/zinc/73/53/59/1018735359.db2.gz OEMSOVYDTNVSMJ-UHFFFAOYSA-N -1 1 353.334 2.886 20 5 FFBDMM CCOC(=O)c1nc(Cl)nc([N-]COc2ccccc2)c1[N+](=O)[O-] ZINC001159699972 1027469537 /nfs/dbraw/zinc/46/95/37/1027469537.db2.gz NCLUUOCYUZMJGZ-UHFFFAOYSA-N -1 1 352.734 2.663 20 5 FFBDMM COC(=O)[C@H]([N-]c1cc([N+](=O)[O-])cc2c(Cl)ncnc12)C(F)(F)F ZINC001159882435 1027526992 /nfs/dbraw/zinc/52/69/92/1027526992.db2.gz JRIYVQZNYMNNKT-VIFPVBQESA-N -1 1 364.667 2.707 20 5 FFBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001153806574 1028005755 /nfs/dbraw/zinc/00/57/55/1028005755.db2.gz FICAAYMHNGHORB-UHFFFAOYSA-N -1 1 364.431 2.518 20 5 FFBDMM Cc1cnc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[n-]c1=O ZINC001166227201 1030312375 /nfs/dbraw/zinc/31/23/75/1030312375.db2.gz BKHSIMHNDADJRG-UHFFFAOYSA-N -1 1 354.775 2.783 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001534728586 1069677377 /nfs/dbraw/zinc/67/73/77/1069677377.db2.gz WYRVBNQUWVRWPL-KGLIPLIRSA-N -1 1 371.349 2.654 20 5 FFBDMM O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC001151030589 1031843796 /nfs/dbraw/zinc/84/37/96/1031843796.db2.gz CIVHYKPZFIEFQZ-UHFFFAOYSA-N -1 1 357.220 2.681 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCCc2cccnc21 ZINC001226307328 1034623743 /nfs/dbraw/zinc/62/37/43/1034623743.db2.gz JJEPBPZHZBTNGW-GFCCVEGCSA-N -1 1 359.338 2.724 20 5 FFBDMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657795 1035805523 /nfs/dbraw/zinc/80/55/23/1035805523.db2.gz XTJHCXTWNZAODX-UHFFFAOYSA-N -1 1 369.255 2.928 20 5 FFBDMM CCOC(=O)[C@@H]1CC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860546 1036367385 /nfs/dbraw/zinc/36/73/85/1036367385.db2.gz VQUFUCAMIQCRQN-HTQZYQBOSA-N -1 1 364.276 2.825 20 5 FFBDMM CC[C@@H](CC(=O)OC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124766 1036927341 /nfs/dbraw/zinc/92/73/41/1036927341.db2.gz KUAHGDHLFVJHJU-JTQLQIEISA-N -1 1 374.345 2.784 20 5 FFBDMM CC1(C)OC[C@H](COc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)O1 ZINC001234745550 1037163642 /nfs/dbraw/zinc/16/36/42/1037163642.db2.gz USVUAAWVNVZFBK-LBPRGKRZSA-N -1 1 358.346 2.888 20 5 FFBDMM O=C1CCC(Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)CC1 ZINC001234751857 1037169518 /nfs/dbraw/zinc/16/95/18/1037169518.db2.gz DYKJMQBEVHHKJU-UHFFFAOYSA-N -1 1 356.330 2.954 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@@H]4CCCOC4)cc3c(=O)c12 ZINC001234802412 1037184835 /nfs/dbraw/zinc/18/48/35/1037184835.db2.gz XWGMBMDQISJZLY-LLVKDONJSA-N -1 1 358.346 2.924 20 5 FFBDMM CCOC(=O)[C@H]1C[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001231264005 1037517039 /nfs/dbraw/zinc/51/70/39/1037517039.db2.gz ODUNZXJISAVELN-LSDHHAIUSA-N -1 1 374.349 2.838 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cccc(F)c2F)cc1F ZINC001209593624 1039032430 /nfs/dbraw/zinc/03/24/30/1039032430.db2.gz GTUJLTJMDPVHFG-UHFFFAOYSA-N -1 1 374.340 2.842 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC001210350555 1039496054 /nfs/dbraw/zinc/49/60/54/1039496054.db2.gz LDEVFZKOHKDANT-UHFFFAOYSA-N -1 1 359.404 2.540 20 5 FFBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001210398763 1039523045 /nfs/dbraw/zinc/52/30/45/1039523045.db2.gz KTSKFJIKEHDFQW-UHFFFAOYSA-N -1 1 358.398 2.804 20 5 FFBDMM O=C([N-]c1nnc(C2CC2)s1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001537705482 1070242103 /nfs/dbraw/zinc/24/21/03/1070242103.db2.gz NZTVQGHOYTWQEW-UHFFFAOYSA-N -1 1 362.367 2.737 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)cc1F ZINC001309514943 1043416052 /nfs/dbraw/zinc/41/60/52/1043416052.db2.gz IGAWVOFUVBCFST-DOMZBBRYSA-N -1 1 374.434 2.772 20 5 FFBDMM CC(C)n1ncc2c1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC001320297943 1045386092 /nfs/dbraw/zinc/38/60/92/1045386092.db2.gz BKOQVYQQQYGCOZ-LBPRGKRZSA-N -1 1 370.456 2.790 20 5 FFBDMM COC(=O)C1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC001324102677 1045866984 /nfs/dbraw/zinc/86/69/84/1045866984.db2.gz QMZIUKIRNRROIO-UHFFFAOYSA-N -1 1 370.427 2.768 20 5 FFBDMM Cc1cc(OCC(=O)NCCc2c(F)cc([O-])cc2F)ccc1[N+](=O)[O-] ZINC001304012315 1051502255 /nfs/dbraw/zinc/50/22/55/1051502255.db2.gz KUBIGWYAXOBPRC-UHFFFAOYSA-N -1 1 366.320 2.625 20 5 FFBDMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001344083282 1052585259 /nfs/dbraw/zinc/58/52/59/1052585259.db2.gz CHZULYJLRMMIMT-UHFFFAOYSA-N -1 1 358.745 2.535 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[n-]1 ZINC001462734481 1061749416 /nfs/dbraw/zinc/74/94/16/1061749416.db2.gz UNMGGIJJRYOKDM-UHFFFAOYSA-N -1 1 365.729 2.818 20 5 FFBDMM CC(C)(C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC001528623231 1061983549 /nfs/dbraw/zinc/98/35/49/1061983549.db2.gz RMZYZVIUMMCMQW-UHFFFAOYSA-N -1 1 356.382 2.886 20 5 FFBDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])OC1 ZINC001464381738 1062580377 /nfs/dbraw/zinc/58/03/77/1062580377.db2.gz UOSCEYIVJIUYHO-SNVBAGLBSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)c(F)cc1[N+](=O)[O-] ZINC001464683608 1062757831 /nfs/dbraw/zinc/75/78/31/1062757831.db2.gz ZSDHIVFTMDGATN-UHFFFAOYSA-N -1 1 357.190 2.657 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)cc1F ZINC001474982011 1065662939 /nfs/dbraw/zinc/66/29/39/1065662939.db2.gz VZOFTDQEBDHAGV-UKRRQHHQSA-N -1 1 364.398 2.952 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC001561621168 1076399709 /nfs/dbraw/zinc/39/97/09/1076399709.db2.gz JDUIOULKAPJWOE-UHFFFAOYSA-N -1 1 371.390 2.770 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001561796169 1076424659 /nfs/dbraw/zinc/42/46/59/1076424659.db2.gz DVMIZPFUKSDNAX-SSDOTTSWSA-N -1 1 369.380 2.543 20 5 FFBDMM COc1cnc([C@@H]2CCCN2C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)[n-]c1=O ZINC001563388334 1076549614 /nfs/dbraw/zinc/54/96/14/1076549614.db2.gz SFRRHMXJDXXZKL-ZDUSSCGKSA-N -1 1 373.369 2.776 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589801878 1080758135 /nfs/dbraw/zinc/75/81/35/1080758135.db2.gz CCRBDDALRPZWND-IAQYHMDHSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589801878 1080758140 /nfs/dbraw/zinc/75/81/40/1080758140.db2.gz CCRBDDALRPZWND-IAQYHMDHSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803419 1080759105 /nfs/dbraw/zinc/75/91/05/1080759105.db2.gz MMBFPUCNSSNMJQ-QLJPJBMISA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803419 1080759112 /nfs/dbraw/zinc/75/91/12/1080759112.db2.gz MMBFPUCNSSNMJQ-QLJPJBMISA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@]1(c2ccccc2)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590154021 1081055960 /nfs/dbraw/zinc/05/59/60/1081055960.db2.gz REHGNNIRRMZGGV-GOSISDBHSA-N -1 1 350.382 2.943 20 5 FFBDMM C[C@@]1(c2ccccc2)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590154021 1081055968 /nfs/dbraw/zinc/05/59/68/1081055968.db2.gz REHGNNIRRMZGGV-GOSISDBHSA-N -1 1 350.382 2.943 20 5 FFBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1[O-] ZINC000109362328 209303674 /nfs/dbraw/zinc/30/36/74/209303674.db2.gz JLFZSNUULDKFMH-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCOCC2)c(Cl)cc1Cl ZINC000290724113 257354830 /nfs/dbraw/zinc/35/48/30/257354830.db2.gz KQKKZSWAVOKVLU-QMMMGPOBSA-N -1 1 369.226 2.749 20 5 FFBDMM O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291902377 257436894 /nfs/dbraw/zinc/43/68/94/257436894.db2.gz NCZHNWDFMSRKHL-MRXNPFEDSA-N -1 1 369.377 2.519 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000377166329 512147816 /nfs/dbraw/zinc/14/78/16/512147816.db2.gz ZBUSYIKDMRPBDY-MRXNPFEDSA-N -1 1 367.283 2.685 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000377166328 512148379 /nfs/dbraw/zinc/14/83/79/512148379.db2.gz ZBUSYIKDMRPBDY-INIZCTEOSA-N -1 1 367.283 2.685 20 5 FFBDMM CC(C)Cc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000057584865 507290776 /nfs/dbraw/zinc/29/07/76/507290776.db2.gz QFWANAKECKCBID-UHFFFAOYSA-N -1 1 364.383 2.668 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)s1 ZINC000063766415 507768974 /nfs/dbraw/zinc/76/89/74/507768974.db2.gz BFFPWWNHMXZIAR-UHFFFAOYSA-N -1 1 360.388 2.543 20 5 FFBDMM CCOCCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000122517074 508547503 /nfs/dbraw/zinc/54/75/03/508547503.db2.gz OTDSLSJOGZRIQJ-UHFFFAOYSA-N -1 1 360.407 2.609 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)s1 ZINC000153689507 508626193 /nfs/dbraw/zinc/62/61/93/508626193.db2.gz LKDPRIRKMQDVDM-UHFFFAOYSA-N -1 1 371.421 2.851 20 5 FFBDMM O=C([O-])CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000139347219 508787321 /nfs/dbraw/zinc/78/73/21/508787321.db2.gz CNQAUYZLNLOZCW-AWEZNQCLSA-N -1 1 368.349 2.807 20 5 FFBDMM COc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000133465150 509163135 /nfs/dbraw/zinc/16/31/35/509163135.db2.gz FHLFDFVLFJLGFW-UHFFFAOYSA-N -1 1 354.359 2.727 20 5 FFBDMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000267054207 509327323 /nfs/dbraw/zinc/32/73/23/509327323.db2.gz WHXWYOGFRILTMW-UHFFFAOYSA-N -1 1 374.397 2.635 20 5 FFBDMM O=C(C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000185809369 509365766 /nfs/dbraw/zinc/36/57/66/509365766.db2.gz WZHVHBMGLOWZFY-LLVKDONJSA-N -1 1 361.379 2.635 20 5 FFBDMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179439218 509443357 /nfs/dbraw/zinc/44/33/57/509443357.db2.gz UYUXKIBAHCDYFM-UHFFFAOYSA-N -1 1 373.384 2.834 20 5 FFBDMM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000264810538 509717447 /nfs/dbraw/zinc/71/74/47/509717447.db2.gz OXMJILVTJXGVIC-UHFFFAOYSA-N -1 1 365.411 2.889 20 5 FFBDMM O=C(NCc1ccccc1OCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193444058 509918028 /nfs/dbraw/zinc/91/80/28/509918028.db2.gz LVTUZEZFVXGEGP-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000183844595 510004163 /nfs/dbraw/zinc/00/41/63/510004163.db2.gz PXHDRZCKQZTUCD-QWHCGFSZSA-N -1 1 368.436 2.855 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000193653769 510008709 /nfs/dbraw/zinc/00/87/09/510008709.db2.gz WAPXXLKCMWOTPU-VIFPVBQESA-N -1 1 361.358 2.617 20 5 FFBDMM COc1ccccc1CC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187064892 510035424 /nfs/dbraw/zinc/03/54/24/510035424.db2.gz GXLRAUQFXPOZOR-UHFFFAOYSA-N -1 1 371.393 2.799 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000187077675 510042014 /nfs/dbraw/zinc/04/20/14/510042014.db2.gz UPPBPXKAEGBCQX-MRVPVSSYSA-N -1 1 350.400 2.940 20 5 FFBDMM O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193830795 510089439 /nfs/dbraw/zinc/08/94/39/510089439.db2.gz WWZXCHWURAQNGR-LBPRGKRZSA-N -1 1 363.757 2.993 20 5 FFBDMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187154496 510091287 /nfs/dbraw/zinc/09/12/87/510091287.db2.gz PMVRSQUKLDAMKK-YOEHRIQHSA-N -1 1 371.393 2.902 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181084370 510272159 /nfs/dbraw/zinc/27/21/59/510272159.db2.gz STIXGBIHQSXPJK-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187716449 510399407 /nfs/dbraw/zinc/39/94/07/510399407.db2.gz LKODBMWUUZVAFS-JTQLQIEISA-N -1 1 366.399 2.577 20 5 FFBDMM Cc1ccc(-c2nc([N-]C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n[nH]2)cc1 ZINC000269464600 510419401 /nfs/dbraw/zinc/41/94/01/510419401.db2.gz SZPOTOUDCCAANQ-UHFFFAOYSA-N -1 1 355.358 2.787 20 5 FFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175022695 510442430 /nfs/dbraw/zinc/44/24/30/510442430.db2.gz QDCRLGCLFKWZMD-UHFFFAOYSA-N -1 1 350.396 2.813 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000184704454 510473417 /nfs/dbraw/zinc/47/34/17/510473417.db2.gz FUPXZBJFAUXKNT-SECBINFHSA-N -1 1 357.292 2.939 20 5 FFBDMM CS(=O)(=O)c1cc(C(=O)[N-]c2c(F)cc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000175313060 510583608 /nfs/dbraw/zinc/58/36/08/510583608.db2.gz FYNWGNGSTLWSQF-UHFFFAOYSA-N -1 1 374.296 2.668 20 5 FFBDMM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000365220141 511323855 /nfs/dbraw/zinc/32/38/55/511323855.db2.gz LWZUGBPUDQQPQL-NHYWBVRUSA-N -1 1 357.366 2.927 20 5 FFBDMM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000272039238 511408681 /nfs/dbraw/zinc/40/86/81/511408681.db2.gz KXLSKMOXMKCUNZ-NEPJUHHUSA-N -1 1 360.407 2.606 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCOC2)c1Cl ZINC000296747274 511880708 /nfs/dbraw/zinc/88/07/08/511880708.db2.gz PIRPIHGAPFPWNS-MRVPVSSYSA-N -1 1 369.226 2.607 20 5 FFBDMM O=C(c1ccc(Cl)cc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369678380 512550387 /nfs/dbraw/zinc/55/03/87/512550387.db2.gz CIMWCYOHCKPEQF-UHFFFAOYSA-N -1 1 350.762 2.628 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000367617926 512587076 /nfs/dbraw/zinc/58/70/76/512587076.db2.gz NKZJHTWRHVLTES-UHFFFAOYSA-N -1 1 360.757 2.673 20 5 FFBDMM CCc1ccnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000435615435 513638089 /nfs/dbraw/zinc/63/80/89/513638089.db2.gz JAXIFXDDWYRDBX-UHFFFAOYSA-N -1 1 355.803 2.684 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000435804998 513687403 /nfs/dbraw/zinc/68/74/03/513687403.db2.gz AEYYVAMFNIAGHJ-LBPRGKRZSA-N -1 1 372.834 2.894 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000444851448 514351244 /nfs/dbraw/zinc/35/12/44/514351244.db2.gz RZBFKKNQMQNXOQ-MRVPVSSYSA-N -1 1 353.281 2.788 20 5 FFBDMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445004001 514385756 /nfs/dbraw/zinc/38/57/56/514385756.db2.gz DLXWXWNSGMTROZ-KWQFWETISA-N -1 1 351.721 2.774 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000490030339 515073755 /nfs/dbraw/zinc/07/37/55/515073755.db2.gz YFOPUMPLFPZNOW-UHFFFAOYSA-N -1 1 374.287 2.937 20 5 FFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000462487828 515080001 /nfs/dbraw/zinc/08/00/01/515080001.db2.gz GUXADHKZJHOZRD-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 ZINC000503881351 515159652 /nfs/dbraw/zinc/15/96/52/515159652.db2.gz BJEAXLJGQCUZTA-CYBMUJFWSA-N -1 1 368.411 2.861 20 5 FFBDMM O=c1cc(/C=C/c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2nc[n-]n21 ZINC000486143207 515351247 /nfs/dbraw/zinc/35/12/47/515351247.db2.gz ARMLKKBOHWUXEK-SNAWJCMRSA-N -1 1 366.362 2.620 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000468516952 515396651 /nfs/dbraw/zinc/39/66/51/515396651.db2.gz NQYZBEJIBODDBU-UHFFFAOYSA-N -1 1 370.770 2.836 20 5 FFBDMM CC(C)OC(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000472910219 515439493 /nfs/dbraw/zinc/43/94/93/515439493.db2.gz APDBDUDJYVRXQJ-CQSZACIVSA-N -1 1 373.365 2.508 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000491611268 515461963 /nfs/dbraw/zinc/46/19/63/515461963.db2.gz YNILITBYPPUWFJ-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000543857263 516464463 /nfs/dbraw/zinc/46/44/63/516464463.db2.gz BTPBHKSEFAHKHX-UHFFFAOYSA-N -1 1 352.368 2.551 20 5 FFBDMM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000540566815 516621673 /nfs/dbraw/zinc/62/16/73/516621673.db2.gz CPUQQTLCXJYUDI-UHFFFAOYSA-N -1 1 371.393 2.509 20 5 FFBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561560010 516653481 /nfs/dbraw/zinc/65/34/81/516653481.db2.gz YTSIGWYOJKJNQB-UHLUBPPHSA-N -1 1 358.372 2.596 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(F)cc1F ZINC000548198985 516822517 /nfs/dbraw/zinc/82/25/17/516822517.db2.gz IAKSIOBQKMHFIS-UHFFFAOYSA-N -1 1 372.305 2.513 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555454225 516932680 /nfs/dbraw/zinc/93/26/80/516932680.db2.gz FWIPIUUKAIBSQX-XYPYZODXSA-N -1 1 367.814 2.868 20 5 FFBDMM CC(C)(C)c1ccc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525699580 517122762 /nfs/dbraw/zinc/12/27/62/517122762.db2.gz FYPUAFTYRLMXOJ-UHFFFAOYSA-N -1 1 363.439 2.808 20 5 FFBDMM O=C(c1c(F)ccc([O-])c1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000537732296 517314041 /nfs/dbraw/zinc/31/40/41/517314041.db2.gz LFDRLPMQKDETOQ-UHFFFAOYSA-N -1 1 363.320 2.541 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2F)s1 ZINC000542240715 517455581 /nfs/dbraw/zinc/45/55/81/517455581.db2.gz QSUKVTMWQGBDFB-UHFFFAOYSA-N -1 1 366.342 2.595 20 5 FFBDMM CSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000546199010 517594071 /nfs/dbraw/zinc/59/40/71/517594071.db2.gz KHHGZXITMYBSCD-JTQLQIEISA-N -1 1 353.425 2.751 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000542731354 517708004 /nfs/dbraw/zinc/70/80/04/517708004.db2.gz DECWZZVRWNOPPY-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000522357903 518086866 /nfs/dbraw/zinc/08/68/66/518086866.db2.gz NAHYPCXOPUZXQO-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000564102223 518307253 /nfs/dbraw/zinc/30/72/53/518307253.db2.gz MXUIYEMIIXTGRH-ZDUSSCGKSA-N -1 1 370.814 2.914 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)[n-]1 ZINC000564382621 518424126 /nfs/dbraw/zinc/42/41/26/518424126.db2.gz WBKCDMDSQKVSNB-UHFFFAOYSA-N -1 1 355.232 2.976 20 5 FFBDMM COC[C@](C)(NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000585732182 518578195 /nfs/dbraw/zinc/57/81/95/518578195.db2.gz QZVLUJZOSXOQOV-INIZCTEOSA-N -1 1 350.396 2.903 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000573339662 518619494 /nfs/dbraw/zinc/61/94/94/518619494.db2.gz SFIZWOJXBCWWQS-SECBINFHSA-N -1 1 364.383 2.527 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000576706296 518723290 /nfs/dbraw/zinc/72/32/90/518723290.db2.gz DQMSNEHJWNGUBO-UHFFFAOYSA-N -1 1 373.390 2.800 20 5 FFBDMM COc1ccc([O-])c(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c1 ZINC000583725400 519398583 /nfs/dbraw/zinc/39/85/83/519398583.db2.gz ISTAUTIVAXURQI-UHFFFAOYSA-N -1 1 357.322 2.958 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000584055409 519568912 /nfs/dbraw/zinc/56/89/12/519568912.db2.gz BMCWAEBCBCFIEU-AWEZNQCLSA-N -1 1 374.397 2.650 20 5 FFBDMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCC[C@@H]21 ZINC000600676853 520392023 /nfs/dbraw/zinc/39/20/23/520392023.db2.gz YYPMUUQQLZQTLG-KFWWJZLASA-N -1 1 372.381 2.720 20 5 FFBDMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(F)F ZINC000595351047 520421369 /nfs/dbraw/zinc/42/13/69/520421369.db2.gz MDXPAPWMHZKZFC-SNVBAGLBSA-N -1 1 354.762 2.818 20 5 FFBDMM O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000604077189 520443498 /nfs/dbraw/zinc/44/34/98/520443498.db2.gz FRLQVNYHKADZNL-UHFFFAOYSA-N -1 1 367.365 2.560 20 5 FFBDMM CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598390414 520591219 /nfs/dbraw/zinc/59/12/19/520591219.db2.gz ROHGMHCQHHDQMM-UHFFFAOYSA-N -1 1 367.402 2.525 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000610264536 520610032 /nfs/dbraw/zinc/61/00/32/520610032.db2.gz UCQTUXYIPFOZNC-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM Cc1c([N-]c2ncnc(N3CCOCC3)c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000598621789 520747525 /nfs/dbraw/zinc/74/75/25/520747525.db2.gz MLGHFRCMAMCCNO-UHFFFAOYSA-N -1 1 373.417 2.585 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734284 520815755 /nfs/dbraw/zinc/81/57/55/520815755.db2.gz JMZCNTYCUBRTDR-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)C)n2)cc1SC ZINC000593234513 520847595 /nfs/dbraw/zinc/84/75/95/520847595.db2.gz UJNFRBBNLPUWMK-UHFFFAOYSA-N -1 1 351.388 2.750 20 5 FFBDMM COC[C@@H](Cc1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744701 521187622 /nfs/dbraw/zinc/18/76/22/521187622.db2.gz SJXPOGHOFQCBRX-QGZVFWFLSA-N -1 1 358.394 2.983 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)s1 ZINC000599412754 521205935 /nfs/dbraw/zinc/20/59/35/521205935.db2.gz QXRQJHNDHNLVJS-AWEZNQCLSA-N -1 1 353.425 2.871 20 5 FFBDMM CC(C)c1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000615301500 521359533 /nfs/dbraw/zinc/35/95/33/521359533.db2.gz CTFGYKAGXAHSFO-MRXNPFEDSA-N -1 1 366.381 2.751 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000619467999 521583920 /nfs/dbraw/zinc/58/39/20/521583920.db2.gz RCZFWCFVCLMRIK-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COc1cc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1F ZINC000619467799 521584242 /nfs/dbraw/zinc/58/42/42/521584242.db2.gz FTKJHFXBZFREPL-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818075570 597076785 /nfs/dbraw/zinc/07/67/85/597076785.db2.gz AVWFDTTVBNQUDV-VXGBXAGGSA-N -1 1 360.370 2.893 20 5 FFBDMM CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825945981 607450697 /nfs/dbraw/zinc/45/06/97/607450697.db2.gz DDMSNNGJHIBVTB-UHFFFAOYSA-N -1 1 374.788 2.944 20 5 FFBDMM CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825945981 607450699 /nfs/dbraw/zinc/45/06/99/607450699.db2.gz DDMSNNGJHIBVTB-UHFFFAOYSA-N -1 1 374.788 2.944 20 5 FFBDMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833294541 601855365 /nfs/dbraw/zinc/85/53/65/601855365.db2.gz JAEIPELBQCGQKY-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000834179261 605447391 /nfs/dbraw/zinc/44/73/91/605447391.db2.gz GYZYTNAZWIWGEQ-CYZMBNFOSA-N -1 1 360.370 2.604 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823635043 606433212 /nfs/dbraw/zinc/43/32/12/606433212.db2.gz QHNPBGLRTNGMPU-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=[N+]([O-])c1cc(NCCOc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000823634675 606645273 /nfs/dbraw/zinc/64/52/73/606645273.db2.gz JTZYXZNEJOCGOK-UHFFFAOYSA-N -1 1 360.761 2.919 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cccc2ccccc21 ZINC000823625454 606698829 /nfs/dbraw/zinc/69/88/29/606698829.db2.gz WDBDJKWZROSYII-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cccc2ccccc21 ZINC000823625454 606698831 /nfs/dbraw/zinc/69/88/31/606698831.db2.gz WDBDJKWZROSYII-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1c(F)cc(F)cc1F ZINC000823630256 606702605 /nfs/dbraw/zinc/70/26/05/606702605.db2.gz UOHGMUVKMIGGAT-UHFFFAOYSA-N -1 1 354.273 2.738 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1c(F)cc(F)cc1F ZINC000823630256 606702606 /nfs/dbraw/zinc/70/26/06/606702606.db2.gz UOHGMUVKMIGGAT-UHFFFAOYSA-N -1 1 354.273 2.738 20 5 FFBDMM Cc1[nH]c2ccccc2c1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822010253 606706710 /nfs/dbraw/zinc/70/67/10/606706710.db2.gz VGUOMXQXYHURQX-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM Cc1[nH]c2ccccc2c1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822010253 606706712 /nfs/dbraw/zinc/70/67/12/606706712.db2.gz VGUOMXQXYHURQX-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM CC(C)(C)c1csc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000819965787 606707375 /nfs/dbraw/zinc/70/73/75/606707375.db2.gz MUHUIJJQPLAIDQ-UHFFFAOYSA-N -1 1 374.430 2.579 20 5 FFBDMM CC(C)(C)c1csc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000819965787 606707376 /nfs/dbraw/zinc/70/73/76/606707376.db2.gz MUHUIJJQPLAIDQ-UHFFFAOYSA-N -1 1 374.430 2.579 20 5 FFBDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822351220 606712532 /nfs/dbraw/zinc/71/25/32/606712532.db2.gz LYVYQNCOTBQGLX-CHWSQXEVSA-N -1 1 365.397 2.861 20 5 FFBDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822351220 606712533 /nfs/dbraw/zinc/71/25/33/606712533.db2.gz LYVYQNCOTBQGLX-CHWSQXEVSA-N -1 1 365.397 2.861 20 5 FFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000820461085 606718231 /nfs/dbraw/zinc/71/82/31/606718231.db2.gz FALIWUITXLZPLU-YHAQOWFVSA-N -1 1 367.369 2.535 20 5 FFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000820461085 606718234 /nfs/dbraw/zinc/71/82/34/606718234.db2.gz FALIWUITXLZPLU-YHAQOWFVSA-N -1 1 367.369 2.535 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCCc2ccccc21 ZINC000823620981 607166858 /nfs/dbraw/zinc/16/68/58/607166858.db2.gz VBSOTWJRZFYIOK-GFCCVEGCSA-N -1 1 351.370 2.702 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCCc2ccccc21 ZINC000823620981 607166860 /nfs/dbraw/zinc/16/68/60/607166860.db2.gz VBSOTWJRZFYIOK-GFCCVEGCSA-N -1 1 351.370 2.702 20 5 FFBDMM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000014380494 727818177 /nfs/dbraw/zinc/81/81/77/727818177.db2.gz JREXWJYHDGXHTE-UHFFFAOYSA-N -1 1 351.344 2.805 20 5 FFBDMM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119604404 728596963 /nfs/dbraw/zinc/59/69/63/728596963.db2.gz XAPNCSQLMCEXPC-QMMMGPOBSA-N -1 1 360.388 2.844 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000173977669 729059830 /nfs/dbraw/zinc/05/98/30/729059830.db2.gz YDBHMUPSOCUTBV-CQSZACIVSA-N -1 1 370.814 2.914 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c1 ZINC000194199299 729502970 /nfs/dbraw/zinc/50/29/70/729502970.db2.gz XVBLOFNCPOWWAS-UHFFFAOYSA-N -1 1 362.342 2.720 20 5 FFBDMM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000226236546 729548111 /nfs/dbraw/zinc/54/81/11/729548111.db2.gz FQBHLDYGIDYTIG-QMMMGPOBSA-N -1 1 363.233 2.682 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2cccc3c2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000886399532 733782854 /nfs/dbraw/zinc/78/28/54/733782854.db2.gz ZTLASJPBMCOPFL-UHFFFAOYSA-N -1 1 361.423 2.692 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc2C1 ZINC000735318026 734941557 /nfs/dbraw/zinc/94/15/57/734941557.db2.gz ZIMNNAOGLWNGBW-GFCCVEGCSA-N -1 1 364.398 2.817 20 5 FFBDMM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000738408047 735032680 /nfs/dbraw/zinc/03/26/80/735032680.db2.gz KGAHGHZFUUCMEK-UHFFFAOYSA-N -1 1 358.807 2.504 20 5 FFBDMM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000740897344 735097051 /nfs/dbraw/zinc/09/70/51/735097051.db2.gz RHPRPZXSMVBUCV-UHFFFAOYSA-N -1 1 352.387 2.872 20 5 FFBDMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000747594830 735572176 /nfs/dbraw/zinc/57/21/76/735572176.db2.gz BLNFNLVIPUTKTH-YFHOEESVSA-N -1 1 362.363 2.582 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000766041978 737185923 /nfs/dbraw/zinc/18/59/23/737185923.db2.gz BTLJHFTVXNPPQW-UHFFFAOYSA-N -1 1 362.363 2.683 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000785398641 738960722 /nfs/dbraw/zinc/96/07/22/738960722.db2.gz OWLAUEPBQDRWEI-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768795456 737458725 /nfs/dbraw/zinc/45/87/25/737458725.db2.gz SADODVXRGLETOP-VIFPVBQESA-N -1 1 372.424 2.713 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000768883191 737471961 /nfs/dbraw/zinc/47/19/61/737471961.db2.gz WNTFQQIGPOJJEZ-QMMMGPOBSA-N -1 1 357.369 2.604 20 5 FFBDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000916108682 737678585 /nfs/dbraw/zinc/67/85/85/737678585.db2.gz DJWWEUDLDYJWHP-UHFFFAOYSA-N -1 1 368.342 2.711 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000798222110 740313526 /nfs/dbraw/zinc/31/35/26/740313526.db2.gz KWGOZQXRNBNSLH-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393614 741304919 /nfs/dbraw/zinc/30/49/19/741304919.db2.gz RCLCHDJKVOPVKI-MRVPVSSYSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccoc2)c1Cl ZINC000809392159 741305158 /nfs/dbraw/zinc/30/51/58/741305158.db2.gz KHRNFYIINUYOTM-UHFFFAOYSA-N -1 1 351.167 2.973 20 5 FFBDMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809807926 741345821 /nfs/dbraw/zinc/34/58/21/741345821.db2.gz VEGZBOSMBCBQOR-MRVPVSSYSA-N -1 1 362.766 2.890 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCn2cccc2)c(Cl)cc1Cl ZINC000809823800 741349015 /nfs/dbraw/zinc/34/90/15/741349015.db2.gz SQTJHAXRJQIECU-UHFFFAOYSA-N -1 1 364.210 2.682 20 5 FFBDMM Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809829001 741350306 /nfs/dbraw/zinc/35/03/06/741350306.db2.gz XDIFYLVQIAUAFK-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)cc1Cl ZINC000809833491 741350902 /nfs/dbraw/zinc/35/09/02/741350902.db2.gz SRADBHWKIJMMPD-VIFPVBQESA-N -1 1 366.798 2.625 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCCCCO)c(Cl)cc1Cl ZINC000809833578 741350946 /nfs/dbraw/zinc/35/09/46/741350946.db2.gz VYJSZMGNUJTBQN-UHFFFAOYSA-N -1 1 371.242 2.733 20 5 FFBDMM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832383 741350955 /nfs/dbraw/zinc/35/09/55/741350955.db2.gz OSOJZSLELYZDGS-UHFFFAOYSA-N -1 1 369.226 2.795 20 5 FFBDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809843617 741352906 /nfs/dbraw/zinc/35/29/06/741352906.db2.gz PFHXKPWZTGMEOQ-JTQLQIEISA-N -1 1 354.812 2.560 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000815027248 741885739 /nfs/dbraw/zinc/88/57/39/741885739.db2.gz ZEHRBIWBUZNPRM-SSDOTTSWSA-N -1 1 354.812 2.561 20 5 FFBDMM CC[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br)OC ZINC000817391236 742135955 /nfs/dbraw/zinc/13/59/55/742135955.db2.gz CBLMZXPDSBJBNY-QMMMGPOBSA-N -1 1 367.221 2.524 20 5 FFBDMM CC[C@@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000832124954 745640458 /nfs/dbraw/zinc/64/04/58/745640458.db2.gz UWQDEZLCKXIHKR-LBPRGKRZSA-N -1 1 371.242 2.995 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000832146924 745645509 /nfs/dbraw/zinc/64/55/09/745645509.db2.gz AVFGQRXFPYLXFS-JTQLQIEISA-N -1 1 357.190 2.596 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000832370414 745686257 /nfs/dbraw/zinc/68/62/57/745686257.db2.gz WDHLCBLGNIOBBA-NSHDSACASA-N -1 1 371.217 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Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001189848375 1007330572 /nfs/dbraw/zinc/33/05/72/1007330572.db2.gz MXWNMAFHBWTUGH-UHFFFAOYSA-N -1 1 356.350 2.702 20 5 FFBDMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859811154 1008675100 /nfs/dbraw/zinc/67/51/00/1008675100.db2.gz HQOPYURMKYBVMZ-UHFFFAOYSA-N -1 1 370.283 2.973 20 5 FFBDMM O=C(NC1CC1)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780068620 1019400573 /nfs/dbraw/zinc/40/05/73/1019400573.db2.gz LQHLHLCGLSSPKD-MRXNPFEDSA-N -1 1 374.324 2.616 20 5 FFBDMM O=C(OCc1ccn(-c2cccc(F)c2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072907 1019498121 /nfs/dbraw/zinc/49/81/21/1019498121.db2.gz VRHUQZLOTVHWOS-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000749284652 1020915976 /nfs/dbraw/zinc/91/59/76/1020915976.db2.gz YPMLMHBDBWSCAP-UHFFFAOYSA-N -1 1 366.276 2.683 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4CC[C@@]45CC[NH2+]C5)cc3c([O-])c1-2 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XRDDJRAFYQWROE-NSHDSACASA-N -1 1 350.356 2.559 20 5 FFBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ncc2ccccc2c1[O-] ZINC001139345992 1035068327 /nfs/dbraw/zinc/06/83/27/1035068327.db2.gz JIDXCQUTVPMSBR-UHFFFAOYSA-N -1 1 363.333 2.655 20 5 FFBDMM CC1=C(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C(=O)O[C@H]1C ZINC001227309538 1035502790 /nfs/dbraw/zinc/50/27/90/1035502790.db2.gz NMGVSIUXOYOGIH-VIFPVBQESA-N -1 1 354.314 2.956 20 5 FFBDMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001140656779 1035802776 /nfs/dbraw/zinc/80/27/76/1035802776.db2.gz BLRHCKGYIHULMB-UHFFFAOYSA-N -1 1 352.278 2.836 20 5 FFBDMM O=c1[n-]cnc(O[C@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228143090 1035958668 /nfs/dbraw/zinc/95/86/68/1035958668.db2.gz JLUVRRIXHXQMEJ-JTQLQIEISA-N -1 1 368.143 2.756 20 5 FFBDMM CCOC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233506798 1036664593 /nfs/dbraw/zinc/66/45/93/1036664593.db2.gz RMBWTEAVDTTZLH-VIFPVBQESA-N -1 1 367.667 2.997 20 5 FFBDMM CCOC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233506798 1036664597 /nfs/dbraw/zinc/66/45/97/1036664597.db2.gz RMBWTEAVDTTZLH-VIFPVBQESA-N -1 1 367.667 2.997 20 5 FFBDMM C[C@@H](O)CCCC(=O)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229803915 1036908541 /nfs/dbraw/zinc/90/85/41/1036908541.db2.gz SZPCLMHDHHOSJH-SNVBAGLBSA-N -1 1 358.346 2.814 20 5 FFBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ncccn1 ZINC001234117980 1036924080 /nfs/dbraw/zinc/92/40/80/1036924080.db2.gz AFTGFQYALGCIGQ-SECBINFHSA-N -1 1 366.329 2.993 20 5 FFBDMM O=c1c2c(OC3CC4(COC4)C3)cc([O-])cc2oc2c(O)ccc(O)c12 ZINC001234125638 1036928201 /nfs/dbraw/zinc/92/82/01/1036928201.db2.gz VFANRXFOTMVCOE-UHFFFAOYSA-N -1 1 356.330 2.621 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OC4CCOCC4)cc([O-])cc3oc21 ZINC001234748363 1037164941 /nfs/dbraw/zinc/16/49/41/1037164941.db2.gz GXXXVKNHADGZMC-UHFFFAOYSA-N -1 1 358.346 2.924 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC001231261055 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/nfs/dbraw/zinc/41/65/28/1043416528.db2.gz IGAWVOFUVBCFST-IUODEOHRSA-N -1 1 374.434 2.772 20 5 FFBDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2C1 ZINC001325206303 1046416364 /nfs/dbraw/zinc/41/63/64/1046416364.db2.gz QRIZRISWUMAOIR-HNNXBMFYSA-N -1 1 362.407 2.818 20 5 FFBDMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001289054694 1047569158 /nfs/dbraw/zinc/56/91/58/1047569158.db2.gz PPZNGVVYQGGUPF-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2C1 ZINC001542359786 1071218957 /nfs/dbraw/zinc/21/89/57/1071218957.db2.gz XDJBJBCAPZCILM-UHFFFAOYSA-N -1 1 369.421 2.867 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC001309434592 1052618318 /nfs/dbraw/zinc/61/83/18/1052618318.db2.gz WQPDLBBPEVIGHY-CLLJXQQHSA-N -1 1 374.434 2.914 20 5 FFBDMM CCOC(=O)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)n[n-]1 ZINC001458478359 1060598963 /nfs/dbraw/zinc/59/89/63/1060598963.db2.gz YSSDCFFHHPTNLC-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)[n-]1 ZINC001458478359 1060598980 /nfs/dbraw/zinc/59/89/80/1060598980.db2.gz YSSDCFFHHPTNLC-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)n1 ZINC001458478359 1060598996 /nfs/dbraw/zinc/59/89/96/1060598996.db2.gz YSSDCFFHHPTNLC-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM Cc1ccc(Sc2ccc(C(=O)N(C)c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001528749892 1062032474 /nfs/dbraw/zinc/03/24/74/1062032474.db2.gz UOYIWCREPNPQFS-UHFFFAOYSA-N -1 1 370.394 2.844 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)cc1F ZINC001463396887 1062085378 /nfs/dbraw/zinc/08/53/78/1062085378.db2.gz CDSOYOFLUOPZIP-OLZOCXBDSA-N -1 1 374.434 2.914 20 5 FFBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001436673692 1062765351 /nfs/dbraw/zinc/76/53/51/1062765351.db2.gz NSORXRSMAZFYGY-UHFFFAOYSA-N -1 1 360.395 2.700 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)n1 ZINC001525073200 1063132304 /nfs/dbraw/zinc/13/23/04/1063132304.db2.gz AVRRZFWVARMVCQ-UHFFFAOYSA-N -1 1 372.772 2.844 20 5 FFBDMM O=C(CSCc1ccc2c(c1)OCO2)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001473020926 1065183636 /nfs/dbraw/zinc/18/36/36/1065183636.db2.gz YUZCLFQSAJCIQK-UHFFFAOYSA-N -1 1 374.374 2.513 20 5 FFBDMM COC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)no1 ZINC001585664891 1079485440 /nfs/dbraw/zinc/48/54/40/1079485440.db2.gz JOULIKQMCHAJAQ-UHFFFAOYSA-N -1 1 373.243 2.949 20 5 FFBDMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001585746463 1079494725 /nfs/dbraw/zinc/49/47/25/1079494725.db2.gz MDGQDWHBEHNBPY-LBPRGKRZSA-N -1 1 370.333 2.779 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CCCC1 ZINC001561784402 1076422379 /nfs/dbraw/zinc/42/23/79/1076422379.db2.gz UNINTKZKGGUMFR-CQSZACIVSA-N -1 1 360.407 2.526 20 5 FFBDMM C[C@@H](CCO)N(Cc1ccccc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589833670 1080785832 /nfs/dbraw/zinc/78/58/32/1080785832.db2.gz GQAFPINLHVGXFJ-NSHDSACASA-N -1 1 374.426 2.614 20 5 FFBDMM C[C@@H](CCO)N(Cc1ccccc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589833670 1080785840 /nfs/dbraw/zinc/78/58/40/1080785840.db2.gz GQAFPINLHVGXFJ-NSHDSACASA-N -1 1 374.426 2.614 20 5 FFBDMM C[C@H](Cc1ccsc1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589901929 1080851348 /nfs/dbraw/zinc/85/13/48/1080851348.db2.gz HMDCQFPYQRICPT-MRVPVSSYSA-N -1 1 350.429 2.965 20 5 FFBDMM C[C@H](Cc1ccsc1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589901929 1080851351 /nfs/dbraw/zinc/85/13/51/1080851351.db2.gz HMDCQFPYQRICPT-MRVPVSSYSA-N -1 1 350.429 2.965 20 5 FFBDMM Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C1)CCCC2 ZINC000275584601 256027087 /nfs/dbraw/zinc/02/70/87/256027087.db2.gz JFCNMPTWQCYXRU-AWEZNQCLSA-N -1 1 370.409 2.771 20 5 FFBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1CCCCC1=O ZINC000298916854 257949266 /nfs/dbraw/zinc/94/92/66/257949266.db2.gz AGDSNDYJRQGKGH-UHFFFAOYSA-N -1 1 358.354 2.701 20 5 FFBDMM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000066935816 506701336 /nfs/dbraw/zinc/70/13/36/506701336.db2.gz GAPVCLVNWLXBRQ-UHFFFAOYSA-N -1 1 372.834 2.560 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000115313367 508384377 /nfs/dbraw/zinc/38/43/77/508384377.db2.gz SYTYREYRXBHERY-HSZRJFAPSA-N -1 1 368.436 2.583 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)s1 ZINC000155408780 508994787 /nfs/dbraw/zinc/99/47/87/508994787.db2.gz KCOYIOBYGKFDMI-NSHDSACASA-N -1 1 354.409 2.849 20 5 FFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nccs1 ZINC000151494995 509029691 /nfs/dbraw/zinc/02/96/91/509029691.db2.gz YYEUKQIEEDNRJK-AWEZNQCLSA-N -1 1 371.440 2.664 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)s1 ZINC000151496456 509029913 /nfs/dbraw/zinc/02/99/13/509029913.db2.gz QYBIJQXPYJSRQQ-UHFFFAOYSA-N -1 1 356.400 2.806 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CO)ccc1C ZINC000151880395 509102815 /nfs/dbraw/zinc/10/28/15/509102815.db2.gz HEZIXPWTUNAFLJ-UHFFFAOYSA-N -1 1 350.396 2.759 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000182727687 509395354 /nfs/dbraw/zinc/39/53/54/509395354.db2.gz IVIJXGAFFIQDAG-UHFFFAOYSA-N -1 1 364.427 2.960 20 5 FFBDMM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185911005 509421435 /nfs/dbraw/zinc/42/14/35/509421435.db2.gz QZDCKEPYXOWMEW-GXTWGEPZSA-N -1 1 363.757 2.609 20 5 FFBDMM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193751412 510050379 /nfs/dbraw/zinc/05/03/79/510050379.db2.gz JYQNDCREQBZTHK-DOMZBBRYSA-N -1 1 357.366 2.593 20 5 FFBDMM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187093856 510052950 /nfs/dbraw/zinc/05/29/50/510052950.db2.gz YEMCDJFFOXRAQJ-QGZVFWFLSA-N -1 1 371.393 2.910 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000175021519 510440875 /nfs/dbraw/zinc/44/08/75/510440875.db2.gz MQVLWWRBUGGPGH-UHFFFAOYSA-N -1 1 361.379 2.507 20 5 FFBDMM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000272179760 511455353 /nfs/dbraw/zinc/45/53/53/511455353.db2.gz LHFXWBOOWFJFCI-VHSXEESVSA-N -1 1 356.247 2.505 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]n2)o1 ZINC000446632709 513300075 /nfs/dbraw/zinc/30/00/75/513300075.db2.gz CKZCPBSRHVFBRN-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425296393 513494879 /nfs/dbraw/zinc/49/48/79/513494879.db2.gz GTXLGTBTAKANDV-ZIAGYGMSSA-N -1 1 374.397 2.658 20 5 FFBDMM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cccc21 ZINC000447723945 513552355 /nfs/dbraw/zinc/55/23/55/513552355.db2.gz SEHDRCBVUARDMD-CQSZACIVSA-N -1 1 357.366 2.938 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000435810891 513690460 /nfs/dbraw/zinc/69/04/60/513690460.db2.gz UUFQAENHHGZHAM-OAHLLOKOSA-N -1 1 364.427 2.549 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3ccoc3c2)ccc1[N+](=O)[O-] ZINC000442841360 513795440 /nfs/dbraw/zinc/79/54/40/513795440.db2.gz ZYQCQJOZBNHOTM-UHFFFAOYSA-N -1 1 362.319 2.840 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431143011 513837841 /nfs/dbraw/zinc/83/78/41/513837841.db2.gz IBMKNJXUGRDAOE-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N2CCCC2)o1 ZINC000436925262 514037774 /nfs/dbraw/zinc/03/77/74/514037774.db2.gz JTCOKBHLVMTQQK-OAHLLOKOSA-N -1 1 359.382 2.769 20 5 FFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000443929104 514074337 /nfs/dbraw/zinc/07/43/37/514074337.db2.gz ODPQUUDHMCWJGV-PRHODGIISA-N -1 1 370.349 2.859 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427965936 514359492 /nfs/dbraw/zinc/35/94/92/514359492.db2.gz ADILHFLOUUNSEB-UHFFFAOYSA-N -1 1 372.768 2.960 20 5 FFBDMM COC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000452743584 514480868 /nfs/dbraw/zinc/48/08/68/514480868.db2.gz AXICJYDPKSTPLG-LLVKDONJSA-N -1 1 365.773 2.509 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC000445582812 514495841 /nfs/dbraw/zinc/49/58/41/514495841.db2.gz JIDBBSNQVUMMBJ-UHFFFAOYSA-N -1 1 357.322 2.958 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc2n1 ZINC000479597336 514650272 /nfs/dbraw/zinc/65/02/72/514650272.db2.gz ADTSCDFVBHYPNB-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471126280 514763584 /nfs/dbraw/zinc/76/35/84/514763584.db2.gz XDQIXASSCFKKNQ-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)o1 ZINC000479912388 514771812 /nfs/dbraw/zinc/77/18/12/514771812.db2.gz GMXMQYOLZPQXSO-JTQLQIEISA-N -1 1 360.413 2.614 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c([N+](=O)[O-])c1 ZINC000499262880 515259627 /nfs/dbraw/zinc/25/96/27/515259627.db2.gz DBNBADPOBXRZOU-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000476979538 515275785 /nfs/dbraw/zinc/27/57/85/515275785.db2.gz LLUYYZKMIDQBFZ-CQSZACIVSA-N -1 1 366.370 2.763 20 5 FFBDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000473342822 515583157 /nfs/dbraw/zinc/58/31/57/515583157.db2.gz HLRFETRNCBMOQG-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000510583210 515597169 /nfs/dbraw/zinc/59/71/69/515597169.db2.gz HEHUXEGDRFIYLL-GFCCVEGCSA-N -1 1 364.851 2.978 20 5 FFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482196383 515604197 /nfs/dbraw/zinc/60/41/97/515604197.db2.gz CTVRBZHLAMMXJV-WCQYABFASA-N -1 1 365.292 2.583 20 5 FFBDMM O=C([N-]c1nc2n(n1)CCCC2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000457130859 515675809 /nfs/dbraw/zinc/67/58/09/515675809.db2.gz XYWHULZMQRMHHM-UHFFFAOYSA-N -1 1 355.276 2.794 20 5 FFBDMM O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000465276858 516114029 /nfs/dbraw/zinc/11/40/29/516114029.db2.gz IFQTUNUAOQTJKS-UHFFFAOYSA-N -1 1 373.760 2.682 20 5 FFBDMM CN(C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000470453471 516254466 /nfs/dbraw/zinc/25/44/66/516254466.db2.gz NPPXJASHYLOVFS-UHFFFAOYSA-N -1 1 360.395 2.723 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000543858685 516463879 /nfs/dbraw/zinc/46/38/79/516463879.db2.gz RHKQKINCLBBMED-UHFFFAOYSA-N -1 1 359.363 2.952 20 5 FFBDMM COc1cc(-c2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000536155096 516655478 /nfs/dbraw/zinc/65/54/78/516655478.db2.gz MOCFQKCKTVXDRZ-UHFFFAOYSA-N -1 1 357.322 2.919 20 5 FFBDMM CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000518536824 516696317 /nfs/dbraw/zinc/69/63/17/516696317.db2.gz OFRXKRZBWHOHRP-KRWDZBQOSA-N -1 1 355.394 2.650 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000525642372 517098015 /nfs/dbraw/zinc/09/80/15/517098015.db2.gz MWNPBHSZVOVSCH-LBPRGKRZSA-N -1 1 353.787 2.609 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N2CCCC2)o1 ZINC000537730667 517315342 /nfs/dbraw/zinc/31/53/42/517315342.db2.gz PRLFUFCMYMLESC-AWEZNQCLSA-N -1 1 359.382 2.769 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000538755409 517765192 /nfs/dbraw/zinc/76/51/92/517765192.db2.gz RTFYRFVDOYHBME-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(CCc3cccs3)CC2)c1 ZINC000516869358 517884253 /nfs/dbraw/zinc/88/42/53/517884253.db2.gz GLGXIWMEAXPGMC-UHFFFAOYSA-N -1 1 361.423 2.719 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000584814507 518488956 /nfs/dbraw/zinc/48/89/56/518488956.db2.gz RARWRNMBIBXXHA-OCCSQVGLSA-N -1 1 365.386 2.744 20 5 FFBDMM O=C(NCCn1ccc2cc(Cl)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000579269847 518600690 /nfs/dbraw/zinc/60/06/90/518600690.db2.gz CSBWNBYFMXXZTC-UHFFFAOYSA-N -1 1 360.757 2.734 20 5 FFBDMM O=C(NC1(CCOCc2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000588761961 518823232 /nfs/dbraw/zinc/82/32/32/518823232.db2.gz MFERESDMZITXCL-UHFFFAOYSA-N -1 1 357.366 2.565 20 5 FFBDMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000571096372 518923649 /nfs/dbraw/zinc/92/36/49/518923649.db2.gz AGVRRQXIWONISF-KRWDZBQOSA-N -1 1 359.357 2.682 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C(C)C)c([N+](=O)[O-])n1 ZINC000594830710 520177056 /nfs/dbraw/zinc/17/70/56/520177056.db2.gz JFSDQWXQPZUELH-CQSZACIVSA-N -1 1 370.406 2.626 20 5 FFBDMM CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609029983 520180246 /nfs/dbraw/zinc/18/02/46/520180246.db2.gz ACCCKIUKVNLNQU-UHFFFAOYSA-N -1 1 351.222 2.826 20 5 FFBDMM CC(C)(F)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594844106 520184841 /nfs/dbraw/zinc/18/48/41/520184841.db2.gz CVRDRNDWZDLASQ-UHFFFAOYSA-N -1 1 369.212 2.774 20 5 FFBDMM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597853055 520283133 /nfs/dbraw/zinc/28/31/33/520283133.db2.gz QWZNYUNNENFQFO-INIZCTEOSA-N -1 1 371.393 2.719 20 5 FFBDMM O=C(NCc1ccccc1OCC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604192238 520478765 /nfs/dbraw/zinc/47/87/65/520478765.db2.gz MZJWCWOOSMSNPU-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604521824 520587716 /nfs/dbraw/zinc/58/77/16/520587716.db2.gz AAGMIVVUYVMVHH-YOEHRIQHSA-N -1 1 371.393 2.935 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000598602409 520737860 /nfs/dbraw/zinc/73/78/60/520737860.db2.gz AMOGPHHNOVROBO-CYBMUJFWSA-N -1 1 368.411 2.779 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480534 521249320 /nfs/dbraw/zinc/24/93/20/521249320.db2.gz ATRDZZFQWNXCIP-AWEZNQCLSA-N -1 1 366.443 2.858 20 5 FFBDMM CCc1nnc(Oc2cc(F)cc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1CC ZINC000821548573 607330697 /nfs/dbraw/zinc/33/06/97/607330697.db2.gz ONZJNNFOAOAROI-UHFFFAOYSA-N -1 1 359.321 2.621 20 5 FFBDMM CCc1nnc(Oc2cc(F)cc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1CC ZINC000821548573 607330698 /nfs/dbraw/zinc/33/06/98/607330698.db2.gz ONZJNNFOAOAROI-UHFFFAOYSA-N -1 1 359.321 2.621 20 5 FFBDMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH]n2)o1 ZINC000738487576 600189034 /nfs/dbraw/zinc/18/90/34/600189034.db2.gz BGHFICJDMHZVNS-UHFFFAOYSA-N -1 1 356.294 2.837 20 5 FFBDMM CN(CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825918279 607450321 /nfs/dbraw/zinc/45/03/21/607450321.db2.gz DIVDIPCFKLTHMR-UHFFFAOYSA-N -1 1 353.386 2.713 20 5 FFBDMM CN(CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825918279 607450323 /nfs/dbraw/zinc/45/03/23/607450323.db2.gz DIVDIPCFKLTHMR-UHFFFAOYSA-N -1 1 353.386 2.713 20 5 FFBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000826498747 607545061 /nfs/dbraw/zinc/54/50/61/607545061.db2.gz IDPVXPCJGQPWAG-UHFFFAOYSA-N -1 1 366.259 2.768 20 5 FFBDMM O=[N+]([O-])c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000826498747 607545064 /nfs/dbraw/zinc/54/50/64/607545064.db2.gz IDPVXPCJGQPWAG-UHFFFAOYSA-N -1 1 366.259 2.768 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2c(cnn2C(F)F)c1 ZINC000826497585 607565664 /nfs/dbraw/zinc/56/56/64/607565664.db2.gz MLDNQFRAMSAGGR-UHFFFAOYSA-N -1 1 373.283 2.658 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2c(cnn2C(F)F)c1 ZINC000826497585 607565665 /nfs/dbraw/zinc/56/56/65/607565665.db2.gz MLDNQFRAMSAGGR-UHFFFAOYSA-N -1 1 373.283 2.658 20 5 FFBDMM COc1cc(CN(C)C2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])cc1OC ZINC000833887403 605622140 /nfs/dbraw/zinc/62/21/40/605622140.db2.gz QHMXAMNPRPCHRA-UHFFFAOYSA-N -1 1 367.402 2.623 20 5 FFBDMM C[C@H]1[C@H](Cc2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820643625 606714637 /nfs/dbraw/zinc/71/46/37/606714637.db2.gz XSDVGBVRKCCGPM-JSGCOSHPSA-N -1 1 365.397 2.627 20 5 FFBDMM C[C@H]1[C@H](Cc2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820643625 606714639 /nfs/dbraw/zinc/71/46/39/606714639.db2.gz XSDVGBVRKCCGPM-JSGCOSHPSA-N -1 1 365.397 2.627 20 5 FFBDMM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820643626 606714748 /nfs/dbraw/zinc/71/47/48/606714748.db2.gz XSDVGBVRKCCGPM-OCCSQVGLSA-N -1 1 365.397 2.627 20 5 FFBDMM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820643626 606714749 /nfs/dbraw/zinc/71/47/49/606714749.db2.gz XSDVGBVRKCCGPM-OCCSQVGLSA-N -1 1 365.397 2.627 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826497870 609491769 /nfs/dbraw/zinc/49/17/69/609491769.db2.gz XEFQYOYTVXZWOB-UHFFFAOYSA-N -1 1 366.259 2.768 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826497870 609491771 /nfs/dbraw/zinc/49/17/71/609491771.db2.gz XEFQYOYTVXZWOB-UHFFFAOYSA-N -1 1 366.259 2.768 20 5 FFBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]cn2)c(-c2cccs2)c1 ZINC000114213226 728559356 /nfs/dbraw/zinc/55/93/56/728559356.db2.gz JGBWFWIHXOGSST-UHFFFAOYSA-N -1 1 351.365 2.814 20 5 FFBDMM COc1cc(F)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000120286611 728609137 /nfs/dbraw/zinc/60/91/37/728609137.db2.gz OIZMMVPDTQJDOH-UHFFFAOYSA-N -1 1 350.324 2.744 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)c1ccco1 ZINC000124443114 728670693 /nfs/dbraw/zinc/67/06/93/728670693.db2.gz CKHUBLMNXRQWDY-LLVKDONJSA-N -1 1 374.802 2.816 20 5 FFBDMM CCOc1ccccc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000170788136 728989283 /nfs/dbraw/zinc/98/92/83/728989283.db2.gz BGBAIVTZSVIWTJ-UHFFFAOYSA-N -1 1 368.386 2.654 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000171069142 728996607 /nfs/dbraw/zinc/99/66/07/728996607.db2.gz JMXKXBGITSWOTH-LLVKDONJSA-N -1 1 352.799 2.866 20 5 FFBDMM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194346333 729507763 /nfs/dbraw/zinc/50/77/63/729507763.db2.gz NPHBPLXWPWXNTG-AAEUAGOBSA-N -1 1 360.407 2.608 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000856748910 730354187 /nfs/dbraw/zinc/35/41/87/730354187.db2.gz ACKRHIIVXSCXAQ-SSDOTTSWSA-N -1 1 357.190 2.596 20 5 FFBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000858939625 730437176 /nfs/dbraw/zinc/43/71/76/730437176.db2.gz PNMMFQRCBCAVPG-CQSZACIVSA-N -1 1 366.443 2.928 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC1CCC(C)CC1 ZINC000780073541 738513944 /nfs/dbraw/zinc/51/39/44/738513944.db2.gz AMYQXKFEKMUWNB-AKJDGMEZSA-N -1 1 350.371 2.541 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)S2 ZINC000907660039 736653473 /nfs/dbraw/zinc/65/34/73/736653473.db2.gz SOLUXOCONFWQAO-FGWVZKOKSA-N -1 1 362.860 2.953 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOC12CCCC2 ZINC000908187241 736737280 /nfs/dbraw/zinc/73/72/80/736737280.db2.gz PNZXISUAZDACIA-LBPRGKRZSA-N -1 1 360.819 2.628 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000767300827 737312166 /nfs/dbraw/zinc/31/21/66/737312166.db2.gz NRBPPDUPZIODHU-LSDHHAIUSA-N -1 1 374.846 2.732 20 5 FFBDMM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768882978 737471726 /nfs/dbraw/zinc/47/17/26/737471726.db2.gz SGGWHGFAECLHQU-UHFFFAOYSA-N -1 1 362.772 2.809 20 5 FFBDMM O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000917971331 737786615 /nfs/dbraw/zinc/78/66/15/737786615.db2.gz LCMCBLYBGNNGFA-UHFFFAOYSA-N -1 1 368.143 2.709 20 5 FFBDMM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000918149130 737795166 /nfs/dbraw/zinc/79/51/66/737795166.db2.gz OJNURMQWPDNKSX-UHFFFAOYSA-N -1 1 374.296 2.668 20 5 FFBDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776505322 738200517 /nfs/dbraw/zinc/20/05/17/738200517.db2.gz YYMHMEHOBOHCCM-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000786879993 739085246 /nfs/dbraw/zinc/08/52/46/739085246.db2.gz JCSJMMFUYXDDDS-UHFFFAOYSA-N -1 1 372.746 2.661 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)cc1F ZINC000794027098 739842728 /nfs/dbraw/zinc/84/27/28/739842728.db2.gz SQODZIQFLSIHEV-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000808125628 741189990 /nfs/dbraw/zinc/18/99/90/741189990.db2.gz HWKMDDNQOODUPZ-UHFFFAOYSA-N -1 1 366.326 2.514 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1Cl ZINC000809384421 741304029 /nfs/dbraw/zinc/30/40/29/741304029.db2.gz MVGBSJLDIAYBSS-UHFFFAOYSA-N -1 1 351.167 2.973 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOCC2CC2)c(Cl)cc1Cl ZINC000809815945 741347163 /nfs/dbraw/zinc/34/71/63/741347163.db2.gz XSSCOOVQORKLDZ-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCO1 ZINC000809824638 741349216 /nfs/dbraw/zinc/34/92/16/741349216.db2.gz FCUAUHJNTYLRFN-GFCCVEGCSA-N -1 1 369.226 2.749 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCO1 ZINC000809824639 741349447 /nfs/dbraw/zinc/34/94/47/741349447.db2.gz FCUAUHJNTYLRFN-LBPRGKRZSA-N -1 1 369.226 2.749 20 5 FFBDMM CS[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828465 741350216 /nfs/dbraw/zinc/35/02/16/741350216.db2.gz LMYNDCNPYROVFL-ZCFIWIBFSA-N -1 1 359.256 2.931 20 5 FFBDMM CC[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809837236 741351936 /nfs/dbraw/zinc/35/19/36/741351936.db2.gz RSBWEEAGOZLFDM-LBPRGKRZSA-N -1 1 369.226 2.749 20 5 FFBDMM O=c1cc(/C=C/c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc2nc[n-]n21 ZINC000811687899 741548577 /nfs/dbraw/zinc/54/85/77/741548577.db2.gz KEOSEOMGROPYEE-OWOJBTEDSA-N -1 1 352.137 2.803 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000814978782 741878239 /nfs/dbraw/zinc/87/82/39/741878239.db2.gz WACIUGNUVYUWKJ-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM CCSCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815042450 741889213 /nfs/dbraw/zinc/88/92/13/741889213.db2.gz XONYHSWNEYVXEY-UHFFFAOYSA-N -1 1 356.828 2.809 20 5 FFBDMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000822604048 742757572 /nfs/dbraw/zinc/75/75/72/742757572.db2.gz HNRFVMLTUYATHR-UHFFFAOYSA-N -1 1 365.346 2.674 20 5 FFBDMM COc1ccccc1C1([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000827947376 745005766 /nfs/dbraw/zinc/00/57/66/745005766.db2.gz PSRAGWNVMAZSJG-UHFFFAOYSA-N -1 1 354.409 2.633 20 5 FFBDMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830615318 745393701 /nfs/dbraw/zinc/39/37/01/745393701.db2.gz YSICBQDFBGGRGK-MRVPVSSYSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000832135776 745642519 /nfs/dbraw/zinc/64/25/19/745642519.db2.gz GXQNZSQDHNYFFI-NSHDSACASA-N -1 1 374.846 2.876 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(Cc2ccc(F)cc2)CC1 ZINC000832427113 745697066 /nfs/dbraw/zinc/69/70/66/745697066.db2.gz RHHYKHZXFHILSE-UHFFFAOYSA-N -1 1 368.361 2.927 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000832494736 745707991 /nfs/dbraw/zinc/70/79/91/745707991.db2.gz VEENLNDLHSCQFM-UHFFFAOYSA-N -1 1 373.818 2.976 20 5 FFBDMM O=C([O-])N[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000834150190 745804627 /nfs/dbraw/zinc/80/46/27/745804627.db2.gz MAZIZTYLFYXVLS-CQSZACIVSA-N -1 1 362.411 2.854 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CS1 ZINC000841561650 747400561 /nfs/dbraw/zinc/40/05/61/747400561.db2.gz SHNFBJJTBDYYRW-RQJHMYQMSA-N -1 1 354.812 2.560 20 5 FFBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001589606328 949281698 /nfs/dbraw/zinc/28/16/98/949281698.db2.gz KSPBKBWMBOEUSQ-KRWDZBQOSA-N -1 1 360.370 2.722 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000019284831 967609018 /nfs/dbraw/zinc/60/90/18/967609018.db2.gz CCEANPSBBKPTRP-UHFFFAOYSA-N -1 1 371.301 2.772 20 5 FFBDMM CN1CCN(c2ccc(F)cc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001176677157 1013750078 /nfs/dbraw/zinc/75/00/78/1013750078.db2.gz OOVHVOIFMIMMEB-UHFFFAOYSA-N -1 1 374.372 2.928 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)o1 ZINC001211614400 968009495 /nfs/dbraw/zinc/00/94/95/968009495.db2.gz KSOQOAMXMPLMTO-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM C[C@H]1Cc2cc(CNCc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)ccc2O1 ZINC001594616342 986635380 /nfs/dbraw/zinc/63/53/80/986635380.db2.gz UKBSLNAFAPYQIL-LBPRGKRZSA-N -1 1 372.377 2.671 20 5 FFBDMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2F)C[C@@H](C)O1 ZINC000918600051 990447399 /nfs/dbraw/zinc/44/73/99/990447399.db2.gz KTBSOYJEKMYPCQ-GHMZBOCLSA-N -1 1 362.361 2.928 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)cc1F ZINC001212336199 991722792 /nfs/dbraw/zinc/72/27/92/991722792.db2.gz NQFGWIBACJMUOV-LBPRGKRZSA-N -1 1 372.418 2.812 20 5 FFBDMM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC001598520261 992671353 /nfs/dbraw/zinc/67/13/53/992671353.db2.gz SCBLFRUWGASOFS-INIZCTEOSA-N -1 1 374.393 2.614 20 5 FFBDMM Cc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(N)c([N+](=O)[O-])c1 ZINC000727899987 996002890 /nfs/dbraw/zinc/00/28/90/996002890.db2.gz HEOUGOYEPNFNIN-UHFFFAOYSA-N -1 1 370.317 2.654 20 5 FFBDMM COCc1csc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001599300188 997218126 /nfs/dbraw/zinc/21/81/26/997218126.db2.gz SECSYDDUCOATTP-UHFFFAOYSA-N -1 1 366.395 2.556 20 5 FFBDMM COc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1[N+](=O)[O-] ZINC001599572576 998388171 /nfs/dbraw/zinc/38/81/71/998388171.db2.gz FINOSYFGCLSCPA-UHFFFAOYSA-N -1 1 359.382 2.729 20 5 FFBDMM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000769047672 1000412620 /nfs/dbraw/zinc/41/26/20/1000412620.db2.gz PAMPRTSUIFIGMS-LLVKDONJSA-N -1 1 374.349 2.876 20 5 FFBDMM CCOCCC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC001188490985 1006594784 /nfs/dbraw/zinc/59/47/84/1006594784.db2.gz WYGGRGVABZDKQL-UHFFFAOYSA-N -1 1 360.407 2.527 20 5 FFBDMM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)c1[N+](=O)[O-] ZINC001179075725 1009248945 /nfs/dbraw/zinc/24/89/45/1009248945.db2.gz IGHBHNZQTSOOEF-UHFFFAOYSA-N -1 1 350.306 2.583 20 5 FFBDMM O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136796225 1009282684 /nfs/dbraw/zinc/28/26/84/1009282684.db2.gz AJEGNSCNYDYZNH-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM O=C([O-])c1ccc(F)c2c1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000863473317 1010219768 /nfs/dbraw/zinc/21/97/68/1010219768.db2.gz IZAOOJAJXZFGLY-KRWDZBQOSA-N -1 1 360.341 2.524 20 5 FFBDMM C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849376 1018784391 /nfs/dbraw/zinc/78/43/91/1018784391.db2.gz FPEMAPUGEPQEOL-LJXYTEIVSA-N -1 1 371.359 2.997 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000780071445 1019494220 /nfs/dbraw/zinc/49/42/20/1019494220.db2.gz HLTIXPIDAASVDL-NEPJUHHUSA-N -1 1 370.361 2.824 20 5 FFBDMM Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074674 1019518653 /nfs/dbraw/zinc/51/86/53/1019518653.db2.gz HPBKWUWFVUKKJD-CYBMUJFWSA-N -1 1 372.377 2.513 20 5 FFBDMM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076092 1019648404 /nfs/dbraw/zinc/64/84/04/1019648404.db2.gz RIJCWJWXRVREMG-ZDUSSCGKSA-N -1 1 372.377 2.813 20 5 FFBDMM CC1(C)C[C@H](Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)CC[NH2+]1 ZINC001218478829 1033172321 /nfs/dbraw/zinc/17/23/21/1033172321.db2.gz OVUHSZHLQRWZAA-LLVKDONJSA-N -1 1 371.389 2.972 20 5 FFBDMM O=C1SCCN1Cc1ccccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893276 1027201041 /nfs/dbraw/zinc/20/10/41/1027201041.db2.gz VHOBNKLBVLGVOQ-UHFFFAOYSA-N -1 1 372.366 2.704 20 5 FFBDMM CCC(CC)(NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001156920198 1029405093 /nfs/dbraw/zinc/40/50/93/1029405093.db2.gz LBJDPGUPOTUKSA-UHFFFAOYSA-N -1 1 360.418 2.851 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001534727939 1069677515 /nfs/dbraw/zinc/67/75/15/1069677515.db2.gz ISUQNVBILSOKDN-UONOGXRCSA-N -1 1 371.349 2.654 20 5 FFBDMM COC(=O)c1ccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]1 ZINC000796904768 1030950172 /nfs/dbraw/zinc/95/01/72/1030950172.db2.gz QADWWWDPDVAWJP-UHFFFAOYSA-N -1 1 371.305 2.722 20 5 FFBDMM O=C(C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001151683325 1032009288 /nfs/dbraw/zinc/00/92/88/1032009288.db2.gz OATWPHDFZUTDHU-CQSZACIVSA-N -1 1 373.340 2.712 20 5 FFBDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663843 1034356772 /nfs/dbraw/zinc/35/67/72/1034356772.db2.gz HSYVTFIXQGHQAF-JQWIXIFHSA-N -1 1 353.375 2.720 20 5 FFBDMM CCOC(=O)[C@@H]1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860549 1036366995 /nfs/dbraw/zinc/36/69/95/1036366995.db2.gz VQUFUCAMIQCRQN-SFYZADRCSA-N -1 1 364.276 2.825 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C(F)(F)C1 ZINC001229396835 1036649470 /nfs/dbraw/zinc/64/94/70/1036649470.db2.gz ZLVRUKYWOBNCJM-LBPRGKRZSA-N -1 1 360.313 2.934 20 5 FFBDMM COC(=O)[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233499680 1036662031 /nfs/dbraw/zinc/66/20/31/1036662031.db2.gz PMXLTYDCUGQNRS-QMMMGPOBSA-N -1 1 353.640 2.607 20 5 FFBDMM COC(=O)[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233499680 1036662036 /nfs/dbraw/zinc/66/20/36/1036662036.db2.gz PMXLTYDCUGQNRS-QMMMGPOBSA-N -1 1 353.640 2.607 20 5 FFBDMM C[C@@H]1COCC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234127800 1036932378 /nfs/dbraw/zinc/93/23/78/1036932378.db2.gz IPGVJVJEQBPXCC-RNCFNFMXSA-N -1 1 358.346 2.867 20 5 FFBDMM CO[C@H](C)CO[C@@H](C)COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875412 1037217336 /nfs/dbraw/zinc/21/73/36/1037217336.db2.gz RGIDJBCMBIMEDS-BDAKNGLRSA-N -1 1 364.192 2.882 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])s1 ZINC001475524185 1053352397 /nfs/dbraw/zinc/35/23/97/1053352397.db2.gz BAWGVGRUDAIIMF-ZETCQYMHSA-N -1 1 359.256 2.827 20 5 FFBDMM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC001446828742 1058559588 /nfs/dbraw/zinc/55/95/88/1058559588.db2.gz YASWGTHJGDDQKW-UHFFFAOYSA-N -1 1 367.361 2.936 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1nc2cnccc2s1 ZINC001457611097 1060410518 /nfs/dbraw/zinc/41/05/18/1060410518.db2.gz IVFBMXOBVCUVFS-UHFFFAOYSA-N -1 1 367.350 2.637 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C/C=C/c1cccnc1 ZINC001475478166 1061107431 /nfs/dbraw/zinc/10/74/31/1061107431.db2.gz XRDQLLZAJKHYRH-HWKANZROSA-N -1 1 353.787 2.635 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001436226978 1062671075 /nfs/dbraw/zinc/67/10/75/1062671075.db2.gz KWNCCKSEIOPYIF-UHFFFAOYSA-N -1 1 372.259 2.766 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC001464771927 1062810043 /nfs/dbraw/zinc/81/00/43/1062810043.db2.gz BECFHBBQFNXTKE-SNVBAGLBSA-N -1 1 370.456 2.692 20 5 FFBDMM O=C(Nc1cccc(F)c1[O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001471168477 1064586205 /nfs/dbraw/zinc/58/62/05/1064586205.db2.gz PXLOAJOOPMMEPN-UHFFFAOYSA-N -1 1 356.313 2.937 20 5 FFBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001471699856 1064763744 /nfs/dbraw/zinc/76/37/44/1064763744.db2.gz VPNVLQUSYWGUSP-UHFFFAOYSA-N -1 1 351.702 2.792 20 5 FFBDMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472559108 1065096364 /nfs/dbraw/zinc/09/63/64/1065096364.db2.gz GTHUKGWGOJUCMD-UHFFFAOYSA-N -1 1 357.700 2.871 20 5 FFBDMM O=[N+]([O-])c1c(NCc2ccc(OC(F)F)cc2)cccc1-c1nnn[n-]1 ZINC001582802510 1079109017 /nfs/dbraw/zinc/10/90/17/1079109017.db2.gz XKWGMSAVSPBXGX-UHFFFAOYSA-N -1 1 362.296 2.988 20 5 FFBDMM O=[N+]([O-])c1c(NCc2ccc(OC(F)F)cc2)cccc1-c1nn[n-]n1 ZINC001582802510 1079109019 /nfs/dbraw/zinc/10/90/19/1079109019.db2.gz XKWGMSAVSPBXGX-UHFFFAOYSA-N -1 1 362.296 2.988 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Sc1ccc2c(c1)OCCO2 ZINC001582804997 1079111211 /nfs/dbraw/zinc/11/12/11/1079111211.db2.gz VBVNREWFFHPQAG-UHFFFAOYSA-N -1 1 363.380 2.759 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Sc1ccc2c(c1)OCCO2 ZINC001582804997 1079111219 /nfs/dbraw/zinc/11/12/19/1079111219.db2.gz VBVNREWFFHPQAG-UHFFFAOYSA-N -1 1 363.380 2.759 20 5 FFBDMM Cc1cc2c(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c[nH]c2cc1F ZINC001559022036 1076116619 /nfs/dbraw/zinc/11/66/19/1076116619.db2.gz SDUDRZVKNLKFSW-UHFFFAOYSA-N -1 1 358.329 2.597 20 5 FFBDMM Cc1cnc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC001559261309 1076141518 /nfs/dbraw/zinc/14/15/18/1076141518.db2.gz SOJZQBAPDLSZCT-UHFFFAOYSA-N -1 1 362.817 2.979 20 5 FFBDMM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001561685135 1076407382 /nfs/dbraw/zinc/40/73/82/1076407382.db2.gz AMZDEQGHQMHLRQ-PHIMTYICSA-N -1 1 362.835 2.873 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H](C)O1 ZINC001561827344 1076429666 /nfs/dbraw/zinc/42/96/66/1076429666.db2.gz HKISZKLIVPKYLZ-FJXKBIBVSA-N -1 1 369.226 2.746 20 5 FFBDMM CC(C)(C)Oc1cccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001589202630 1080416401 /nfs/dbraw/zinc/41/64/01/1080416401.db2.gz KNACTENATDPCEL-UHFFFAOYSA-N -1 1 369.385 2.959 20 5 FFBDMM CC(C)(C)Oc1cccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001589202630 1080416403 /nfs/dbraw/zinc/41/64/03/1080416403.db2.gz KNACTENATDPCEL-UHFFFAOYSA-N -1 1 369.385 2.959 20 5 FFBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001589293254 1080467604 /nfs/dbraw/zinc/46/76/04/1080467604.db2.gz SFBYOBSMBBUBNK-UHFFFAOYSA-N -1 1 371.376 2.886 20 5 FFBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001589293254 1080467605 /nfs/dbraw/zinc/46/76/05/1080467605.db2.gz SFBYOBSMBBUBNK-UHFFFAOYSA-N -1 1 371.376 2.886 20 5 FFBDMM C[C@H](Cc1ccc(O)cc1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589899643 1080848107 /nfs/dbraw/zinc/84/81/07/1080848107.db2.gz LVZMJIPEPNFOPR-SECBINFHSA-N -1 1 360.399 2.609 20 5 FFBDMM C[C@H](Cc1ccc(O)cc1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589899643 1080848115 /nfs/dbraw/zinc/84/81/15/1080848115.db2.gz LVZMJIPEPNFOPR-SECBINFHSA-N -1 1 360.399 2.609 20 5 FFBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC001589980502 1080918964 /nfs/dbraw/zinc/91/89/64/1080918964.db2.gz BPIKLVQINFNWRP-IINYFYTJSA-N -1 1 352.354 2.752 20 5 FFBDMM C[C@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001590154457 1081055598 /nfs/dbraw/zinc/05/55/98/1081055598.db2.gz YUDUHZBNXMLOQN-GOSISDBHSA-N -1 1 366.381 2.527 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000273492785 252316653 /nfs/dbraw/zinc/31/66/53/252316653.db2.gz WMRCEIRZQFGXFX-UHFFFAOYSA-N -1 1 364.305 2.812 20 5 FFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000007053265 506528427 /nfs/dbraw/zinc/52/84/27/506528427.db2.gz POGJMYPCOHZDPJ-UHFFFAOYSA-N -1 1 350.352 2.557 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccc(C)o1 ZINC000080789094 508103669 /nfs/dbraw/zinc/10/36/69/508103669.db2.gz SBDGBMJBEIFJTJ-AWEZNQCLSA-N -1 1 368.411 2.779 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)s1 ZINC000076851508 508258609 /nfs/dbraw/zinc/25/86/09/508258609.db2.gz GUKFJVCPCZNUSB-ZDUSSCGKSA-N -1 1 352.437 2.956 20 5 FFBDMM CCOc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000133415141 509156881 /nfs/dbraw/zinc/15/68/81/509156881.db2.gz GSSVKFLIAZBSIA-UHFFFAOYSA-N -1 1 350.396 2.978 20 5 FFBDMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000179866940 509654323 /nfs/dbraw/zinc/65/43/23/509654323.db2.gz RKGXDWCNUNOHLZ-VXGBXAGGSA-N -1 1 362.473 2.918 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(OCCc2ccccc2)CC1 ZINC000193481413 509933569 /nfs/dbraw/zinc/93/35/69/509933569.db2.gz HRLYXHMPDODLOP-UHFFFAOYSA-N -1 1 371.393 2.559 20 5 FFBDMM CC(C)COc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193559845 509966117 /nfs/dbraw/zinc/96/61/17/509966117.db2.gz QEXREDGYOCKNLW-UHFFFAOYSA-N -1 1 359.382 2.703 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000268950459 510155055 /nfs/dbraw/zinc/15/50/55/510155055.db2.gz FDBIPZWHPHUEEX-NSHDSACASA-N -1 1 360.819 2.628 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000171967113 510478199 /nfs/dbraw/zinc/47/81/99/510478199.db2.gz HUZQQGXFFHRKLL-GFCCVEGCSA-N -1 1 370.333 2.675 20 5 FFBDMM CC(C)(C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC000266468285 510605318 /nfs/dbraw/zinc/60/53/18/510605318.db2.gz RYKJJUSLZVONCE-UHFFFAOYSA-N -1 1 356.342 2.918 20 5 FFBDMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175702023 510743457 /nfs/dbraw/zinc/74/34/57/510743457.db2.gz RPJDUYRHXYYXOY-UWVGGRQHSA-N -1 1 350.487 2.999 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282545133 511020762 /nfs/dbraw/zinc/02/07/62/511020762.db2.gz RTZANKCKFXJFDQ-LLVKDONJSA-N -1 1 359.304 2.890 20 5 FFBDMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000299244948 511564903 /nfs/dbraw/zinc/56/49/03/511564903.db2.gz LXXZUEBXVBWEMF-UHFFFAOYSA-N -1 1 366.399 2.635 20 5 FFBDMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296153094 511636428 /nfs/dbraw/zinc/63/64/28/511636428.db2.gz KFNXSFMQUUKSPX-VXNVDRBHSA-N -1 1 369.226 2.605 20 5 FFBDMM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365788985 511652993 /nfs/dbraw/zinc/65/29/93/511652993.db2.gz MJUATGZJRANPBO-CQSZACIVSA-N -1 1 371.397 2.814 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1OCCc2sccc21 ZINC000366225562 511910966 /nfs/dbraw/zinc/91/09/66/511910966.db2.gz FUJRHTMREHDURP-AMIZOPFISA-N -1 1 374.465 2.699 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000451085495 513507232 /nfs/dbraw/zinc/50/72/32/513507232.db2.gz SIXTXQAJUSXQIG-SECBINFHSA-N -1 1 373.175 2.679 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442856185 513797964 /nfs/dbraw/zinc/79/79/64/513797964.db2.gz YEGGNFOPIRFPGC-UHFFFAOYSA-N -1 1 362.319 2.840 20 5 FFBDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416621736 513873682 /nfs/dbraw/zinc/87/36/82/513873682.db2.gz IYZDWAOTOVXKOR-UHFFFAOYSA-N -1 1 350.824 2.730 20 5 FFBDMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437303573 514136202 /nfs/dbraw/zinc/13/62/02/514136202.db2.gz DLXWXWNSGMTROZ-LDYMZIIASA-N -1 1 351.721 2.774 20 5 FFBDMM Cc1sc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc1[N+](=O)[O-] ZINC000427319837 514182565 /nfs/dbraw/zinc/18/25/65/514182565.db2.gz ICTFLZRZRNHOCG-UHFFFAOYSA-N -1 1 360.344 2.603 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc([N+](=O)[O-])c1 ZINC000438729854 514431518 /nfs/dbraw/zinc/43/15/18/514431518.db2.gz XGMXOZQRDQAPMN-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000424267803 514440582 /nfs/dbraw/zinc/44/05/82/514440582.db2.gz YXYQVYQPUJGVIZ-ZDUSSCGKSA-N -1 1 360.370 2.864 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)cc1[O-] ZINC000445231232 514448129 /nfs/dbraw/zinc/44/81/29/514448129.db2.gz OKUAVHJAQMHMML-UHFFFAOYSA-N -1 1 364.321 2.726 20 5 FFBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445471863 514484363 /nfs/dbraw/zinc/48/43/63/514484363.db2.gz IIWQVNGBMMAWFQ-SECBINFHSA-N -1 1 372.312 2.981 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)NCCc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000470608077 514547061 /nfs/dbraw/zinc/54/70/61/514547061.db2.gz DVFXSGSUWFCOTE-UHFFFAOYSA-N -1 1 352.350 2.525 20 5 FFBDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCc1ccccc1[N+](=O)[O-])c2=O ZINC000470608077 514547068 /nfs/dbraw/zinc/54/70/68/514547068.db2.gz DVFXSGSUWFCOTE-UHFFFAOYSA-N -1 1 352.350 2.525 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466567342 514693646 /nfs/dbraw/zinc/69/36/46/514693646.db2.gz NWVQBIWODCMHCQ-HUUCEWRRSA-N -1 1 374.846 2.732 20 5 FFBDMM COc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cccc1[N+](=O)[O-] ZINC000479727141 514700534 /nfs/dbraw/zinc/70/05/34/514700534.db2.gz AWGXATSBZAUMGD-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM CCOC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)on1 ZINC000456160341 514990422 /nfs/dbraw/zinc/99/04/22/514990422.db2.gz HRPAXMGIUWGGSO-UHFFFAOYSA-N -1 1 362.342 2.832 20 5 FFBDMM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000481484744 515343613 /nfs/dbraw/zinc/34/36/13/515343613.db2.gz WOFMVLLGYIADRW-JTQLQIEISA-N -1 1 364.851 2.714 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(Cl)c1 ZINC000510524220 515567627 /nfs/dbraw/zinc/56/76/27/515567627.db2.gz WJHXRPVZMYSBCY-UHFFFAOYSA-N -1 1 358.725 2.869 20 5 FFBDMM Nc1c(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000473652047 515704589 /nfs/dbraw/zinc/70/45/89/515704589.db2.gz MJJNBERXTDTSHX-UHFFFAOYSA-N -1 1 359.292 2.520 20 5 FFBDMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000487111180 515762811 /nfs/dbraw/zinc/76/28/11/515762811.db2.gz COZCTJPMNULSBH-JTQLQIEISA-N -1 1 355.803 2.553 20 5 FFBDMM O=C(Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000482757416 515795344 /nfs/dbraw/zinc/79/53/44/515795344.db2.gz FDLBSLUOBCQELR-UHFFFAOYSA-N -1 1 365.349 2.500 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1[N+](=O)[O-] ZINC000488226983 516165854 /nfs/dbraw/zinc/16/58/54/516165854.db2.gz DPALIYHBBDQUNO-UHFFFAOYSA-N -1 1 356.331 2.557 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC000548141739 516789901 /nfs/dbraw/zinc/78/99/01/516789901.db2.gz NRTQLJUDLQTJDP-UHFFFAOYSA-N -1 1 365.386 2.573 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1c1ccccc1 ZINC000525186385 516950301 /nfs/dbraw/zinc/95/03/01/516950301.db2.gz VTRFFQAYPAKXBI-GJZGRUSLSA-N -1 1 361.423 2.995 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000532858269 517170725 /nfs/dbraw/zinc/17/07/25/517170725.db2.gz KQLXMGYRCSZCOM-NEPJUHHUSA-N -1 1 358.464 2.694 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])n1 ZINC000533176349 517326508 /nfs/dbraw/zinc/32/65/08/517326508.db2.gz ZRKFPEQMPNLLIY-OAHLLOKOSA-N -1 1 364.427 2.549 20 5 FFBDMM CCCCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000515555918 517403584 /nfs/dbraw/zinc/40/35/84/517403584.db2.gz HEMBYAHFQRJDFL-UHFFFAOYSA-N -1 1 359.382 2.847 20 5 FFBDMM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000539385533 518019625 /nfs/dbraw/zinc/01/96/25/518019625.db2.gz SWKKSPFEXQYJBV-BZHVJNSISA-N -1 1 362.835 2.586 20 5 FFBDMM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000569655434 518220851 /nfs/dbraw/zinc/22/08/51/518220851.db2.gz PNFCYJSZOZFXMV-LBPRGKRZSA-N -1 1 369.299 2.846 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(N3CCOCC3)CCCCC2)c1 ZINC000582303992 518689426 /nfs/dbraw/zinc/68/94/26/518689426.db2.gz WALPFFXUCPOYBY-UHFFFAOYSA-N -1 1 363.414 2.740 20 5 FFBDMM CN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000567978951 518811156 /nfs/dbraw/zinc/81/11/56/518811156.db2.gz XVVXEGWLOAPIPY-INIZCTEOSA-N -1 1 355.394 2.656 20 5 FFBDMM CCc1nc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000571179468 518966737 /nfs/dbraw/zinc/96/67/37/518966737.db2.gz PRXNUCKXMWURNM-UHFFFAOYSA-N -1 1 362.411 2.716 20 5 FFBDMM CC(C)COc1ccccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594750467 520132360 /nfs/dbraw/zinc/13/23/60/520132360.db2.gz IODRGGUOHHMQEG-UHFFFAOYSA-N -1 1 365.411 2.503 20 5 FFBDMM Cc1[n-][nH]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1Br ZINC000597732688 520203615 /nfs/dbraw/zinc/20/36/15/520203615.db2.gz ZDGTVXWELODGPM-UHFFFAOYSA-N -1 1 367.203 2.727 20 5 FFBDMM CCc1nc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]c(=O)c1C ZINC000594904994 520211201 /nfs/dbraw/zinc/21/12/01/520211201.db2.gz KXLPQUIYJXSCHI-AWEZNQCLSA-N -1 1 374.422 2.859 20 5 FFBDMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610139944 520556934 /nfs/dbraw/zinc/55/69/34/520556934.db2.gz YUWMJSDEUCMZSQ-UFBFGSQYSA-N -1 1 351.721 2.774 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2c(C)noc2C(F)F)cc([N+](=O)[O-])c1 ZINC000610428537 520678803 /nfs/dbraw/zinc/67/88/03/520678803.db2.gz WNZNUPFCCNBTDT-UHFFFAOYSA-N -1 1 355.253 2.868 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715161 520806572 /nfs/dbraw/zinc/80/65/72/520806572.db2.gz WIJMQZZZPHUWID-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000610894466 520895923 /nfs/dbraw/zinc/89/59/23/520895923.db2.gz AHPQSOCBAVMANT-UHFFFAOYSA-N -1 1 356.747 2.529 20 5 FFBDMM O=c1[n-]nc([C@H]2CCCN(c3c(Br)cccc3[N+](=O)[O-])C2)o1 ZINC000596224408 520979365 /nfs/dbraw/zinc/97/93/65/520979365.db2.gz FFLKZJWJXGQDDS-QMMMGPOBSA-N -1 1 369.175 2.830 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599211654 521090517 /nfs/dbraw/zinc/09/05/17/521090517.db2.gz QYWRKHYVUYNEDK-ZDUSSCGKSA-N -1 1 372.834 2.657 20 5 FFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619499987 521599555 /nfs/dbraw/zinc/59/95/55/521599555.db2.gz RMJDLJNDGZFSPC-PELKAZGASA-N -1 1 370.349 2.859 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1Br ZINC000473973440 561062546 /nfs/dbraw/zinc/06/25/46/561062546.db2.gz YVMDPMCWEOEPEH-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC000824992637 607451871 /nfs/dbraw/zinc/45/18/71/607451871.db2.gz NJYVQSZCDJGDCJ-SJKOYZFVSA-N -1 1 366.381 2.741 20 5 FFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC000824992637 607451872 /nfs/dbraw/zinc/45/18/72/607451872.db2.gz NJYVQSZCDJGDCJ-SJKOYZFVSA-N -1 1 366.381 2.741 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738477084 600613215 /nfs/dbraw/zinc/61/32/15/600613215.db2.gz JMKDTWCOPIIEQX-UHFFFAOYSA-N -1 1 364.379 2.721 20 5 FFBDMM O=C([O-])NC[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000740614393 603072656 /nfs/dbraw/zinc/07/26/56/603072656.db2.gz RQCLOXVEYDZABC-CQSZACIVSA-N -1 1 362.411 2.854 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000827444815 603542020 /nfs/dbraw/zinc/54/20/20/603542020.db2.gz ONLFISCDWOZNSL-LBPRGKRZSA-N -1 1 351.403 2.862 20 5 FFBDMM O=[N+]([O-])c1cc(NCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000823635326 606645297 /nfs/dbraw/zinc/64/52/97/606645297.db2.gz VUTAQXLBSLACOT-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCOCc1ccccc1 ZINC000823624725 606706086 /nfs/dbraw/zinc/70/60/86/606706086.db2.gz HCJZAJKQIHPZPJ-UHFFFAOYSA-N -1 1 369.385 2.579 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCCOCc1ccccc1 ZINC000823624725 606706088 /nfs/dbraw/zinc/70/60/88/606706088.db2.gz HCJZAJKQIHPZPJ-UHFFFAOYSA-N -1 1 369.385 2.579 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820907807 606714713 /nfs/dbraw/zinc/71/47/13/606714713.db2.gz HIEDLDDOVYSSLL-JTQLQIEISA-N -1 1 373.348 2.579 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820907807 606714714 /nfs/dbraw/zinc/71/47/14/606714714.db2.gz HIEDLDDOVYSSLL-JTQLQIEISA-N -1 1 373.348 2.579 20 5 FFBDMM CCO[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCC1 ZINC000821351581 606715291 /nfs/dbraw/zinc/71/52/91/606715291.db2.gz SHWHFUMUTVGZTE-CYBMUJFWSA-N -1 1 361.406 2.567 20 5 FFBDMM CCO[C@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCC1 ZINC000821351581 606715294 /nfs/dbraw/zinc/71/52/94/606715294.db2.gz SHWHFUMUTVGZTE-CYBMUJFWSA-N -1 1 361.406 2.567 20 5 FFBDMM COc1ccc(C)cc1CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821783204 606719747 /nfs/dbraw/zinc/71/97/47/606719747.db2.gz ZVUGJRMSGIHHDS-UHFFFAOYSA-N -1 1 358.383 2.779 20 5 FFBDMM COc1ccc(C)cc1CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821783204 606719748 /nfs/dbraw/zinc/71/97/48/606719748.db2.gz ZVUGJRMSGIHHDS-UHFFFAOYSA-N -1 1 358.383 2.779 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(Cc2ccncc2)cc1 ZINC000823624587 607162183 /nfs/dbraw/zinc/16/21/83/607162183.db2.gz DRTCDIUKOUVMRU-UHFFFAOYSA-N -1 1 374.364 2.899 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(Cc2ccncc2)cc1 ZINC000823624587 607162184 /nfs/dbraw/zinc/16/21/84/607162184.db2.gz DRTCDIUKOUVMRU-UHFFFAOYSA-N -1 1 374.364 2.899 20 5 FFBDMM O=[N+]([O-])c1cccc(CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C2CC2)c1 ZINC000823648375 607175989 /nfs/dbraw/zinc/17/59/89/607175989.db2.gz VVNGXMAMOAIPNM-UHFFFAOYSA-N -1 1 371.788 2.992 20 5 FFBDMM O=[N+]([O-])c1cccc(CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C2CC2)c1 ZINC000823648375 607175990 /nfs/dbraw/zinc/17/59/90/607175990.db2.gz VVNGXMAMOAIPNM-UHFFFAOYSA-N -1 1 371.788 2.992 20 5 FFBDMM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)s1 ZINC000824130868 608348248 /nfs/dbraw/zinc/34/82/48/608348248.db2.gz QKJNTCLMXZLZHW-UHFFFAOYSA-N -1 1 373.398 2.781 20 5 FFBDMM O=C(c1cc(Cl)ccc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007803207 727798756 /nfs/dbraw/zinc/79/87/56/727798756.db2.gz OZMSBDLFYAKFNU-UHFFFAOYSA-N -1 1 361.785 2.916 20 5 FFBDMM O=C(CSc1cc(F)ccc1F)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000746237766 735471830 /nfs/dbraw/zinc/47/18/30/735471830.db2.gz SJLQDBNRAVVWLO-UHFFFAOYSA-N -1 1 352.318 2.922 20 5 FFBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000083996246 728417166 /nfs/dbraw/zinc/41/71/66/728417166.db2.gz PCIJBUQEGRBGCQ-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119594554 728597081 /nfs/dbraw/zinc/59/70/81/728597081.db2.gz VJPKMLYJKXUREH-UHFFFAOYSA-N -1 1 362.816 2.797 20 5 FFBDMM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119736186 728599485 /nfs/dbraw/zinc/59/94/85/728599485.db2.gz NDLCSFPNWLOZBS-UHFFFAOYSA-N -1 1 362.816 2.797 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc([N+](=O)[O-])c1F ZINC000130016790 728714589 /nfs/dbraw/zinc/71/45/89/728714589.db2.gz XPKRILYYQHMUQT-HSZRJFAPSA-N -1 1 372.399 2.581 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC000170665942 728985537 /nfs/dbraw/zinc/98/55/37/728985537.db2.gz KBXWLWSRCDLHJZ-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173715833 729052473 /nfs/dbraw/zinc/05/24/73/729052473.db2.gz LASBVKPYUUXOTQ-LBPRGKRZSA-N -1 1 368.386 2.788 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000173738626 729052960 /nfs/dbraw/zinc/05/29/60/729052960.db2.gz HZQZOVOEHMJGJU-SNVBAGLBSA-N -1 1 372.349 2.619 20 5 FFBDMM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000173719734 729053147 /nfs/dbraw/zinc/05/31/47/729053147.db2.gz DXYWVSYKIBCORV-GFCCVEGCSA-N -1 1 368.386 2.788 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000180103791 729203781 /nfs/dbraw/zinc/20/37/81/729203781.db2.gz YNDJSKLYPFLJKB-GFCCVEGCSA-N -1 1 372.374 2.610 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000725819484 734393255 /nfs/dbraw/zinc/39/32/55/734393255.db2.gz PSWKKTKVBCAYMY-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000729486305 734579401 /nfs/dbraw/zinc/57/94/01/734579401.db2.gz LBXFBWQSVRYHGZ-ZDUSSCGKSA-N -1 1 353.375 2.949 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000732817850 734768581 /nfs/dbraw/zinc/76/85/81/734768581.db2.gz ZJSKFKPFNLJGIX-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM C[C@@H]1CNc2c([N-]c3ncc(Br)cc3[N+](=O)[O-])cnn2C1 ZINC000894951321 734942284 /nfs/dbraw/zinc/94/22/84/734942284.db2.gz LZDIYTTUGVCCDF-SSDOTTSWSA-N -1 1 353.180 2.754 20 5 FFBDMM COCc1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000759110242 736547753 /nfs/dbraw/zinc/54/77/53/736547753.db2.gz CSJCDDRFOZPBLF-UHFFFAOYSA-N -1 1 373.188 2.608 20 5 FFBDMM CSC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818947 741347489 /nfs/dbraw/zinc/34/74/89/741347489.db2.gz SDXJUBTWIRNTHJ-ZCFIWIBFSA-N -1 1 359.256 2.931 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000790922222 739513477 /nfs/dbraw/zinc/51/34/77/739513477.db2.gz QUAUQCCHRRSUAH-GFCCVEGCSA-N -1 1 372.418 2.894 20 5 FFBDMM CSc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000797841446 740279303 /nfs/dbraw/zinc/27/93/03/740279303.db2.gz MIBUWYQDEJORHV-UHFFFAOYSA-N -1 1 370.427 2.977 20 5 FFBDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000799529647 740427156 /nfs/dbraw/zinc/42/71/56/740427156.db2.gz NGZPJMAFKAUUIO-UHFFFAOYSA-N -1 1 369.330 2.713 20 5 FFBDMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809395034 741305410 /nfs/dbraw/zinc/30/54/10/741305410.db2.gz HITRONQJKVDNJM-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819253 741347902 /nfs/dbraw/zinc/34/79/02/741347902.db2.gz YYWRUULVUWKVGM-VIFPVBQESA-N -1 1 368.814 2.871 20 5 FFBDMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819614 741348081 /nfs/dbraw/zinc/34/80/81/741348081.db2.gz BLPIFIIZXZSKDR-JGVFFNPUSA-N -1 1 371.242 2.587 20 5 FFBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809828464 741350154 /nfs/dbraw/zinc/35/01/54/741350154.db2.gz LMYNDCNPYROVFL-LURJTMIESA-N -1 1 359.256 2.931 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000815022194 741884632 /nfs/dbraw/zinc/88/46/32/741884632.db2.gz UMGBZYFNLZNGPU-SSDOTTSWSA-N -1 1 354.812 2.561 20 5 FFBDMM COC1(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000815055114 741891586 /nfs/dbraw/zinc/89/15/86/741891586.db2.gz WERVJIYCNRUOSN-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000830074825 745302238 /nfs/dbraw/zinc/30/22/38/745302238.db2.gz XZTBFKIGPFNTDT-MRVPVSSYSA-N -1 1 373.175 2.679 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000830679687 745404739 /nfs/dbraw/zinc/40/47/39/745404739.db2.gz HNTJAMQXCQEAFI-VIFPVBQESA-N -1 1 371.242 2.851 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000831656209 745561690 /nfs/dbraw/zinc/56/16/90/745561690.db2.gz XWRMBDVKACUYGT-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM CCC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC ZINC000831763903 745581073 /nfs/dbraw/zinc/58/10/73/745581073.db2.gz PEIRPJUHXNRYTR-MRVPVSSYSA-N -1 1 371.242 2.995 20 5 FFBDMM CCC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000831873491 745597929 /nfs/dbraw/zinc/59/79/29/745597929.db2.gz VGXVVTKISOEDRU-UHFFFAOYSA-N -1 1 367.196 2.717 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000832135775 745642586 /nfs/dbraw/zinc/64/25/86/745642586.db2.gz GXQNZSQDHNYFFI-LLVKDONJSA-N -1 1 374.846 2.876 20 5 FFBDMM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841533944 747388269 /nfs/dbraw/zinc/38/82/69/747388269.db2.gz PDKSPCXCJUZJID-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841567032 747404590 /nfs/dbraw/zinc/40/45/90/747404590.db2.gz KNBHZLZHSKNYEK-UHFFFAOYSA-N -1 1 368.814 2.869 20 5 FFBDMM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCCC2 ZINC000844833256 748111241 /nfs/dbraw/zinc/11/12/41/748111241.db2.gz DDQXVAJUQXMIAO-UHFFFAOYSA-N -1 1 367.358 2.514 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000849461304 749165457 /nfs/dbraw/zinc/16/54/57/749165457.db2.gz PNPUZNQETPBLHT-LLVKDONJSA-N -1 1 354.762 2.962 20 5 FFBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000849461311 749165513 /nfs/dbraw/zinc/16/55/13/749165513.db2.gz WSKCZQTZBFKJPC-RKDXNWHRSA-N -1 1 366.798 2.623 20 5 FFBDMM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849472293 749171228 /nfs/dbraw/zinc/17/12/28/749171228.db2.gz FKBGUBBOHQSLMV-WCQYABFASA-N -1 1 366.370 2.577 20 5 FFBDMM O=C(COc1ccccc1[N+](=O)[O-])OCc1cc(=O)oc2cc([O-])ccc12 ZINC000011112245 1013348199 /nfs/dbraw/zinc/34/81/99/1013348199.db2.gz UJQHOGOPYAPZLU-UHFFFAOYSA-N -1 1 371.301 2.529 20 5 FFBDMM COc1ccc(OC)c(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001599602200 993832030 /nfs/dbraw/zinc/83/20/30/993832030.db2.gz JJSYXYNYVUTHGE-GOSISDBHSA-N -1 1 360.366 2.702 20 5 FFBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001593288241 994653450 /nfs/dbraw/zinc/65/34/50/994653450.db2.gz FURVKJAOEBZYDB-NDHGSNPTSA-N -1 1 362.407 2.881 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000744456329 999858139 /nfs/dbraw/zinc/85/81/39/999858139.db2.gz CYXAZFLOSAWGTK-UHFFFAOYSA-N -1 1 359.334 2.668 20 5 FFBDMM Cc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)c([N+](=O)[O-])cc1Br ZINC001170228817 1003075098 /nfs/dbraw/zinc/07/50/98/1003075098.db2.gz JMQAATJCLKAFPN-UHFFFAOYSA-N -1 1 365.147 2.781 20 5 FFBDMM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780071270 1019484943 /nfs/dbraw/zinc/48/49/43/1019484943.db2.gz FSZRGTQKWYNXSU-LLVKDONJSA-N -1 1 374.349 2.883 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000780071446 1019494364 /nfs/dbraw/zinc/49/43/64/1019494364.db2.gz HLTIXPIDAASVDL-NWDGAFQWSA-N -1 1 370.361 2.824 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc1[N+](=O)[O-] ZINC000755003734 1023552665 /nfs/dbraw/zinc/55/26/65/1023552665.db2.gz XZRUNORBUJEJJA-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(OCc1nc(-c2ccccc2F)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000781192720 1029056360 /nfs/dbraw/zinc/05/63/60/1029056360.db2.gz AYNLSSACNSBDKV-UHFFFAOYSA-N -1 1 359.269 2.847 20 5 FFBDMM O=C([N-]C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1)C(F)(F)F ZINC001166896962 1030568310 /nfs/dbraw/zinc/56/83/10/1030568310.db2.gz QAIPIPOWYMOITF-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC[C@@H](C)Oc1ccccc1 ZINC001226311491 1034625345 /nfs/dbraw/zinc/62/53/45/1034625345.db2.gz WTYJREAVGXPYNV-LLVKDONJSA-N -1 1 362.338 2.718 20 5 FFBDMM CSc1nc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(=O)[n-]1 ZINC001228090546 1035925180 /nfs/dbraw/zinc/92/51/80/1035925180.db2.gz LWDMMAJSHFUEMR-SSDOTTSWSA-N -1 1 351.340 2.681 20 5 FFBDMM COC(=O)[C@@H]1CCC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860919 1036367260 /nfs/dbraw/zinc/36/72/60/1036367260.db2.gz XYCXVFUQAUZJKU-SFYZADRCSA-N -1 1 364.276 2.825 20 5 FFBDMM CC1=C[C@H](Oc2cc3c(cc2O)c(=O)oc2cc([O-])ccc23)CC(=O)O1 ZINC001229803695 1036909106 /nfs/dbraw/zinc/90/91/06/1036909106.db2.gz RALWJOGWIWYQMT-NSHDSACASA-N -1 1 354.314 2.956 20 5 FFBDMM CC[C@@H](Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12)C(=O)OC ZINC001234750871 1037167014 /nfs/dbraw/zinc/16/70/14/1037167014.db2.gz HDVWWGXVAFGHES-GFCCVEGCSA-N -1 1 374.345 2.696 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC4CN(C(C)C)C4)cc3c(=O)c12 ZINC001234801118 1037185822 /nfs/dbraw/zinc/18/58/22/1037185822.db2.gz ORKXTGRSYHPBEL-UHFFFAOYSA-N -1 1 371.389 2.837 20 5 FFBDMM CCOc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc([N+](=O)[O-])c1[O-] ZINC001251268860 1039041730 /nfs/dbraw/zinc/04/17/30/1039041730.db2.gz XZAKKXOMAINZKU-UHFFFAOYSA-N -1 1 370.321 2.573 20 5 FFBDMM CS(=O)(=O)c1ccc2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)cnc2c1 ZINC001210394847 1039519168 /nfs/dbraw/zinc/51/91/68/1039519168.db2.gz KDNPPJWMSGPQKN-UHFFFAOYSA-N -1 1 359.363 2.996 20 5 FFBDMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC001213955467 1041113831 /nfs/dbraw/zinc/11/38/31/1041113831.db2.gz RBTLTGBNIZPZDW-SNVBAGLBSA-N -1 1 362.835 2.874 20 5 FFBDMM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC001213955442 1041114698 /nfs/dbraw/zinc/11/46/98/1041114698.db2.gz RBTLTGBNIZPZDW-JTQLQIEISA-N -1 1 362.835 2.874 20 5 FFBDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])cc1O)c1ccc([N+](=O)[O-])cc1F ZINC001320099701 1045348891 /nfs/dbraw/zinc/34/88/91/1045348891.db2.gz IBQLFRUYPFGUKW-SECBINFHSA-N -1 1 363.297 2.675 20 5 FFBDMM Cc1ccc(CN2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC001322694581 1046184662 /nfs/dbraw/zinc/18/46/62/1046184662.db2.gz MLLQNUQZMKXDDR-UHFFFAOYSA-N -1 1 369.421 2.957 20 5 FFBDMM CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2C1 ZINC001540748985 1070985621 /nfs/dbraw/zinc/98/56/21/1070985621.db2.gz NWAHOIZMLBPJIJ-MRXNPFEDSA-N -1 1 369.421 2.867 20 5 FFBDMM CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC001445088660 1058369250 /nfs/dbraw/zinc/36/92/50/1058369250.db2.gz MUGLORNVNBHVKJ-HNNXBMFYSA-N -1 1 363.801 2.987 20 5 FFBDMM CCC(CC)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nn[n-]n1 ZINC001449011460 1058851817 /nfs/dbraw/zinc/85/18/17/1058851817.db2.gz AEUKAPAUHOHBHI-UHFFFAOYSA-N -1 1 360.399 2.768 20 5 FFBDMM O=C([N-]c1nc2ccccn2n1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001520552509 1059793041 /nfs/dbraw/zinc/79/30/41/1059793041.db2.gz WXURFFFCRNXQIH-UHFFFAOYSA-N -1 1 360.333 2.952 20 5 FFBDMM COc1ccc([O-])c(S(=O)(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC001475338100 1061053513 /nfs/dbraw/zinc/05/35/13/1061053513.db2.gz PGVLHTOPPAPDCZ-UHFFFAOYSA-N -1 1 366.395 2.523 20 5 FFBDMM Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001475584846 1061150056 /nfs/dbraw/zinc/15/00/56/1061150056.db2.gz RBKZVJMXRNIIDL-UHFFFAOYSA-N -1 1 368.798 2.718 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001462735183 1061749094 /nfs/dbraw/zinc/74/90/94/1061749094.db2.gz XGBWHZOUYRHLQO-VIFPVBQESA-N -1 1 359.338 2.654 20 5 FFBDMM Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001464271429 1062517981 /nfs/dbraw/zinc/51/79/81/1062517981.db2.gz MVXTYNKXAKPXAJ-UHFFFAOYSA-N -1 1 368.798 2.718 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001471870314 1064829599 /nfs/dbraw/zinc/82/95/99/1064829599.db2.gz RSLQXJBMJVARKP-CQSZACIVSA-N -1 1 363.414 2.775 20 5 FFBDMM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccsc1-c1nnn[n-]1 ZINC001582644203 1079085437 /nfs/dbraw/zinc/08/54/37/1079085437.db2.gz QQYWLCMOSUAOBO-UHFFFAOYSA-N -1 1 367.350 2.637 20 5 FFBDMM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccsc1-c1nn[n-]n1 ZINC001582644203 1079085440 /nfs/dbraw/zinc/08/54/40/1079085440.db2.gz QQYWLCMOSUAOBO-UHFFFAOYSA-N -1 1 367.350 2.637 20 5 FFBDMM O=[N+]([O-])c1c(Sc2cccc(F)c2-c2nn[n-]n2)nc2ccccn21 ZINC001582801729 1079108584 /nfs/dbraw/zinc/10/85/84/1079108584.db2.gz DCSWPRVAMQKZPY-UHFFFAOYSA-N -1 1 357.330 2.713 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1ccc(F)c(F)c1F ZINC001582804585 1079109506 /nfs/dbraw/zinc/10/95/06/1079109506.db2.gz HXAFKSKZPVOKMM-UHFFFAOYSA-N -1 1 370.316 2.908 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1ccc(F)c(F)c1F ZINC001582804585 1079109514 /nfs/dbraw/zinc/10/95/14/1079109514.db2.gz HXAFKSKZPVOKMM-UHFFFAOYSA-N -1 1 370.316 2.908 20 5 FFBDMM O=[N+]([O-])c1ccc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)cc1 ZINC001582804619 1079110201 /nfs/dbraw/zinc/11/02/01/1079110201.db2.gz WSKYSEFZACLLNO-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM O=[N+]([O-])c1ccc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)cc1 ZINC001582804619 1079110205 /nfs/dbraw/zinc/11/02/05/1079110205.db2.gz WSKYSEFZACLLNO-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(OCc2nc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001582803559 1079110621 /nfs/dbraw/zinc/11/06/21/1079110621.db2.gz LVJDDRCGONTPFC-UHFFFAOYSA-N -1 1 356.726 2.603 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(OCc2nc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001582803559 1079110632 /nfs/dbraw/zinc/11/06/32/1079110632.db2.gz LVJDDRCGONTPFC-UHFFFAOYSA-N -1 1 356.726 2.603 20 5 FFBDMM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001585126556 1079428814 /nfs/dbraw/zinc/42/88/14/1079428814.db2.gz JHBSJCCVXMYSCV-UHFFFAOYSA-N -1 1 373.106 2.748 20 5 FFBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)n1 ZINC001559180108 1076132924 /nfs/dbraw/zinc/13/29/24/1076132924.db2.gz UILBVGQLXHTMGJ-UHFFFAOYSA-N -1 1 368.353 2.564 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOc2ccccc2)cc1F ZINC001561090917 1076331201 /nfs/dbraw/zinc/33/12/01/1076331201.db2.gz JZCUMERXTGWCRU-UHFFFAOYSA-N -1 1 368.386 2.790 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)cc1F ZINC001561134523 1076337605 /nfs/dbraw/zinc/33/76/05/1076337605.db2.gz OTSZLSCDNKKNBK-XHDPSFHLSA-N -1 1 374.434 2.916 20 5 FFBDMM C[C@H](Cc1cccnc1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001562009644 1076465289 /nfs/dbraw/zinc/46/52/89/1076465289.db2.gz MAMHGINXZXHBCQ-SECBINFHSA-N -1 1 373.793 2.692 20 5 FFBDMM CC(C)C[C@@H]1OCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589573752 1080612918 /nfs/dbraw/zinc/61/29/18/1080612918.db2.gz MVARWYKBVJQINM-KOLCDFICSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)C[C@@H]1OCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589573752 1080612921 /nfs/dbraw/zinc/61/29/21/1080612921.db2.gz MVARWYKBVJQINM-KOLCDFICSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)C[C@H]1OCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589573750 1080612946 /nfs/dbraw/zinc/61/29/46/1080612946.db2.gz MVARWYKBVJQINM-GXSJLCMTSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)C[C@H]1OCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589573750 1080612950 /nfs/dbraw/zinc/61/29/50/1080612950.db2.gz MVARWYKBVJQINM-GXSJLCMTSA-N -1 1 352.420 2.842 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589801882 1080757772 /nfs/dbraw/zinc/75/77/72/1080757772.db2.gz CCRBDDALRPZWND-XHDPSFHLSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589801882 1080757779 /nfs/dbraw/zinc/75/77/79/1080757779.db2.gz CCRBDDALRPZWND-XHDPSFHLSA-N -1 1 354.370 2.699 20 5 FFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC)s2)cc1OC ZINC000007807869 506593176 /nfs/dbraw/zinc/59/31/76/506593176.db2.gz YZILXUZSMXADPO-UHFFFAOYSA-N -1 1 352.372 2.668 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000115313348 508383795 /nfs/dbraw/zinc/38/37/95/508383795.db2.gz AXPLPYZEOHZRKZ-HSZRJFAPSA-N -1 1 368.436 2.583 20 5 FFBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000133520878 508411179 /nfs/dbraw/zinc/41/11/79/508411179.db2.gz ORZDIYFLINVCQB-UHFFFAOYSA-N -1 1 369.830 2.793 20 5 FFBDMM CC(=O)c1sc2[n-]c(COc3ncc(C)cc3[N+](=O)[O-])nc(=O)c2c1C ZINC000157999013 508643151 /nfs/dbraw/zinc/64/31/51/508643151.db2.gz WERFWLJHBOCMJP-UHFFFAOYSA-N -1 1 374.378 2.686 20 5 FFBDMM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000158133940 508662080 /nfs/dbraw/zinc/66/20/80/508662080.db2.gz RBRUJUBNAVVVGI-KOLCDFICSA-N -1 1 374.415 2.586 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000119352069 508778207 /nfs/dbraw/zinc/77/82/07/508778207.db2.gz SFYCFZGQUNAEBR-LBPRGKRZSA-N -1 1 369.399 2.638 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000121354289 509169019 /nfs/dbraw/zinc/16/90/19/509169019.db2.gz AYYHAAMBFHNOMI-UHFFFAOYSA-N -1 1 365.411 2.779 20 5 FFBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000173224753 509465049 /nfs/dbraw/zinc/46/50/49/509465049.db2.gz LVYSFADHMBMYMR-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000173355106 509550223 /nfs/dbraw/zinc/55/02/23/509550223.db2.gz PBVSXBYFPDYZRP-CQSZACIVSA-N -1 1 368.411 2.725 20 5 FFBDMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000180878401 510160627 /nfs/dbraw/zinc/16/06/27/510160627.db2.gz XZHDNCJXLYVUGB-UHFFFAOYSA-N -1 1 359.292 2.834 20 5 FFBDMM COc1cc(CN([C@@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000263184214 510599757 /nfs/dbraw/zinc/59/97/57/510599757.db2.gz UPPOQGMIHYBPHR-QMMMGPOBSA-N -1 1 360.313 2.642 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000188373895 510734584 /nfs/dbraw/zinc/73/45/84/510734584.db2.gz FXIRCJZWRZNADB-UHFFFAOYSA-N -1 1 360.345 2.551 20 5 FFBDMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175702039 510743755 /nfs/dbraw/zinc/74/37/55/510743755.db2.gz RPJDUYRHXYYXOY-NXEZZACHSA-N -1 1 350.487 2.999 20 5 FFBDMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271652509 511276473 /nfs/dbraw/zinc/27/64/73/511276473.db2.gz IGVGHBRLHXXMIF-ZWNOBZJWSA-N -1 1 362.835 2.730 20 5 FFBDMM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000320495452 511813570 /nfs/dbraw/zinc/81/35/70/511813570.db2.gz VUGKBAZECNHDNZ-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000323754558 511831517 /nfs/dbraw/zinc/83/15/17/511831517.db2.gz UFFUZSWRZIEOKP-UHFFFAOYSA-N -1 1 360.344 2.603 20 5 FFBDMM CCOCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296696697 511858085 /nfs/dbraw/zinc/85/80/85/511858085.db2.gz KLASFQXONXYWKB-UHFFFAOYSA-N -1 1 371.242 2.997 20 5 FFBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(F)c1 ZINC000440401209 513311480 /nfs/dbraw/zinc/31/14/80/513311480.db2.gz VRAYDHHXWJBDSV-NSHDSACASA-N -1 1 374.415 2.931 20 5 FFBDMM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000422142014 513596107 /nfs/dbraw/zinc/59/61/07/513596107.db2.gz WLFGNEROETVHRE-UHFFFAOYSA-N -1 1 373.365 2.517 20 5 FFBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000416601593 513859806 /nfs/dbraw/zinc/85/98/06/513859806.db2.gz SQGQPPNWUGVRRM-MRVPVSSYSA-N -1 1 358.313 2.991 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451605680 513862754 /nfs/dbraw/zinc/86/27/54/513862754.db2.gz FBTHNDMDOFUTCT-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000443218209 513903467 /nfs/dbraw/zinc/90/34/67/513903467.db2.gz SHPFAZYRUDDJJB-LBPRGKRZSA-N -1 1 368.798 2.920 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000432185930 514119364 /nfs/dbraw/zinc/11/93/64/514119364.db2.gz JOFXNLOWRNWYQF-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000432183174 514120172 /nfs/dbraw/zinc/12/01/72/514120172.db2.gz VXARTBZPQCKNHO-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000432208520 514125978 /nfs/dbraw/zinc/12/59/78/514125978.db2.gz QBHQUATVDPHYHF-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM COCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000452045570 514157046 /nfs/dbraw/zinc/15/70/46/514157046.db2.gz LIBBDRZCGBVBIM-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000427652763 514279643 /nfs/dbraw/zinc/27/96/43/514279643.db2.gz WQCRGEWIWRXMOE-UHFFFAOYSA-N -1 1 359.310 2.533 20 5 FFBDMM CCOc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000444860168 514353274 /nfs/dbraw/zinc/35/32/74/514353274.db2.gz PYDRLRNQDWGFRA-JTQLQIEISA-N -1 1 361.354 2.594 20 5 FFBDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(F)c1 ZINC000508128690 514680437 /nfs/dbraw/zinc/68/04/37/514680437.db2.gz PQBXAHYYOIIFRM-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1C ZINC000480000087 514805755 /nfs/dbraw/zinc/80/57/55/514805755.db2.gz ZWCNFGJHDJKSKH-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)cc2F)n1 ZINC000503615436 515097100 /nfs/dbraw/zinc/09/71/00/515097100.db2.gz GZBKHTFRCHHXEL-UHFFFAOYSA-N -1 1 361.102 2.621 20 5 FFBDMM CN(C)[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000486434979 515481118 /nfs/dbraw/zinc/48/11/18/515481118.db2.gz PNYLIPKCRGVEOQ-INIZCTEOSA-N -1 1 353.382 2.782 20 5 FFBDMM Cc1ccc(-c2cc(=NC(=O)COc3ccc([N+](=O)[O-])cc3)[nH][n-]2)s1 ZINC000500849132 515880956 /nfs/dbraw/zinc/88/09/56/515880956.db2.gz XCTOREKDXJNDAM-UHFFFAOYSA-N -1 1 358.379 2.794 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1[N+](=O)[O-] ZINC000479114566 516064705 /nfs/dbraw/zinc/06/47/05/516064705.db2.gz JGWHSYIGNWPGBZ-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000551220308 516611933 /nfs/dbraw/zinc/61/19/33/516611933.db2.gz LUSYUSZFKWJDEF-UHFFFAOYSA-N -1 1 355.803 2.857 20 5 FFBDMM Cn1cnc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000541190930 516922939 /nfs/dbraw/zinc/92/29/39/516922939.db2.gz PIERFDKQJWULCV-UHFFFAOYSA-N -1 1 352.397 2.690 20 5 FFBDMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000536898143 516971500 /nfs/dbraw/zinc/97/15/00/516971500.db2.gz TZVXWBOJJDEHTD-UHFFFAOYSA-N -1 1 364.379 2.632 20 5 FFBDMM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000541804019 517222531 /nfs/dbraw/zinc/22/25/31/517222531.db2.gz JNZFKYOLXBHNAJ-NSHDSACASA-N -1 1 364.379 2.659 20 5 FFBDMM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000516606772 517765572 /nfs/dbraw/zinc/76/55/72/517765572.db2.gz QUBRWWFGQFGGDW-UHFFFAOYSA-N -1 1 355.441 2.616 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000553570619 517789602 /nfs/dbraw/zinc/78/96/02/517789602.db2.gz YLLRSILNMUISNA-UHFFFAOYSA-N -1 1 358.725 2.867 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000539858502 518172744 /nfs/dbraw/zinc/17/27/44/518172744.db2.gz MUPLXTOEJTYMBE-UHFFFAOYSA-N -1 1 352.437 2.740 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000577117870 518921744 /nfs/dbraw/zinc/92/17/44/518921744.db2.gz CSMXOHYZLXRCMP-INIZCTEOSA-N -1 1 366.414 2.838 20 5 FFBDMM Cc1ccc([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000571329830 519040351 /nfs/dbraw/zinc/04/03/51/519040351.db2.gz DKNZSXLEQFZHHF-CQSZACIVSA-N -1 1 360.370 2.838 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)[n-]1 ZINC000574444601 519158526 /nfs/dbraw/zinc/15/85/26/519158526.db2.gz XKJBQLQXGZFXOZ-UHFFFAOYSA-N -1 1 368.758 2.600 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000609030565 520180764 /nfs/dbraw/zinc/18/07/64/520180764.db2.gz XIAJWZNWELAPQA-UHFFFAOYSA-N -1 1 371.212 2.836 20 5 FFBDMM CCc1nc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]c(=O)c1C ZINC000594904995 520211256 /nfs/dbraw/zinc/21/12/56/520211256.db2.gz KXLPQUIYJXSCHI-CQSZACIVSA-N -1 1 374.422 2.859 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C(C)C)c1C ZINC000592385055 520363132 /nfs/dbraw/zinc/36/31/32/520363132.db2.gz LYBYCKGAHJSKON-UHFFFAOYSA-N -1 1 354.388 2.559 20 5 FFBDMM CCOc1cc(C)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603982201 520423104 /nfs/dbraw/zinc/42/31/04/520423104.db2.gz IUWXVHBEHPMQCG-UHFFFAOYSA-N -1 1 352.368 2.808 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC000595381509 520438894 /nfs/dbraw/zinc/43/88/94/520438894.db2.gz NUPNSDCPRSNGJA-UHFFFAOYSA-N -1 1 352.359 2.563 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)s1 ZINC000609916802 520479593 /nfs/dbraw/zinc/47/95/93/520479593.db2.gz DBQWJPORTBDSPG-UHFFFAOYSA-N -1 1 368.436 2.641 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000610261827 520609437 /nfs/dbraw/zinc/60/94/37/520609437.db2.gz JCQYMYDWHACJIQ-GFCCVEGCSA-N -1 1 353.787 2.609 20 5 FFBDMM COc1cc(CNC[C@@]2(C)COc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000598985357 520960588 /nfs/dbraw/zinc/96/05/88/520960588.db2.gz OTFPGSMWFSDJLO-SFHVURJKSA-N -1 1 360.366 2.629 20 5 FFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818075567 597077333 /nfs/dbraw/zinc/07/73/33/597077333.db2.gz AVWFDTTVBNQUDV-NEPJUHHUSA-N -1 1 360.370 2.893 20 5 FFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736727734 600301368 /nfs/dbraw/zinc/30/13/68/600301368.db2.gz IHKQDYMGTAWDEN-BXUZGUMPSA-N -1 1 372.381 2.893 20 5 FFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC000824992635 607452138 /nfs/dbraw/zinc/45/21/38/607452138.db2.gz NJYVQSZCDJGDCJ-SJCJKPOMSA-N -1 1 366.381 2.741 20 5 FFBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)O1 ZINC000824992635 607452140 /nfs/dbraw/zinc/45/21/40/607452140.db2.gz NJYVQSZCDJGDCJ-SJCJKPOMSA-N -1 1 366.381 2.741 20 5 FFBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825629360 604101032 /nfs/dbraw/zinc/10/10/32/604101032.db2.gz CCMQDJGFRXFXPP-CYBMUJFWSA-N -1 1 351.403 2.795 20 5 FFBDMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822229018 606449171 /nfs/dbraw/zinc/44/91/71/606449171.db2.gz KRFKSUGANHIOKC-VIFPVBQESA-N -1 1 358.383 2.636 20 5 FFBDMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822229018 606449173 /nfs/dbraw/zinc/44/91/73/606449173.db2.gz KRFKSUGANHIOKC-VIFPVBQESA-N -1 1 358.383 2.636 20 5 FFBDMM Cc1ccc2c(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c[nH]c2c1 ZINC000822274796 606705806 /nfs/dbraw/zinc/70/58/06/606705806.db2.gz JLYQNHJWBKVGPC-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM Cc1ccc2c(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c[nH]c2c1 ZINC000822274796 606705807 /nfs/dbraw/zinc/70/58/07/606705807.db2.gz JLYQNHJWBKVGPC-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM CC(C)c1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820191924 607162078 /nfs/dbraw/zinc/16/20/78/607162078.db2.gz AUCCRCCEDUPKAH-UHFFFAOYSA-N -1 1 353.386 2.948 20 5 FFBDMM CC(C)c1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820191924 607162080 /nfs/dbraw/zinc/16/20/80/607162080.db2.gz AUCCRCCEDUPKAH-UHFFFAOYSA-N -1 1 353.386 2.948 20 5 FFBDMM CN(Cc1ccc2ccccc2c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821612253 607162636 /nfs/dbraw/zinc/16/26/36/607162636.db2.gz ONNNEENRMSAZQD-UHFFFAOYSA-N -1 1 361.365 2.960 20 5 FFBDMM CN(Cc1ccc2ccccc2c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821612253 607162638 /nfs/dbraw/zinc/16/26/38/607162638.db2.gz ONNNEENRMSAZQD-UHFFFAOYSA-N -1 1 361.365 2.960 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCOc1ccc(F)cc1 ZINC000823624911 607166563 /nfs/dbraw/zinc/16/65/63/607166563.db2.gz KGQSKTLEBOXBGX-UHFFFAOYSA-N -1 1 373.348 2.580 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCCOc1ccc(F)cc1 ZINC000823624911 607166564 /nfs/dbraw/zinc/16/65/64/607166564.db2.gz KGQSKTLEBOXBGX-UHFFFAOYSA-N -1 1 373.348 2.580 20 5 FFBDMM CC(C)OC1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000159373453 728906061 /nfs/dbraw/zinc/90/60/61/728906061.db2.gz OQHHBJRNTNWJBK-UHFFFAOYSA-N -1 1 360.407 2.748 20 5 FFBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000014661018 727818631 /nfs/dbraw/zinc/81/86/31/727818631.db2.gz NWSRHZKLTNDIDY-UHFFFAOYSA-N -1 1 351.344 2.949 20 5 FFBDMM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000118438773 728582209 /nfs/dbraw/zinc/58/22/09/728582209.db2.gz OGLILSKODOSFSW-NHYWBVRUSA-N -1 1 374.434 2.854 20 5 FFBDMM COCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132319801 728724287 /nfs/dbraw/zinc/72/42/87/728724287.db2.gz GIDOVAMOIXVZRX-UHFFFAOYSA-N -1 1 354.359 2.990 20 5 FFBDMM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173599739 729050678 /nfs/dbraw/zinc/05/06/78/729050678.db2.gz LZSQURJFJFIQNF-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173715847 729052496 /nfs/dbraw/zinc/05/24/96/729052496.db2.gz LASBVKPYUUXOTQ-GFCCVEGCSA-N -1 1 368.386 2.788 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000176056956 729107524 /nfs/dbraw/zinc/10/75/24/729107524.db2.gz MRQMRGURFJRYBY-UHFFFAOYSA-N -1 1 352.343 2.778 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000230615003 729551476 /nfs/dbraw/zinc/55/14/76/729551476.db2.gz QNLUJAMMQMNXDZ-UHFFFAOYSA-N -1 1 363.233 2.824 20 5 FFBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000859422748 730454241 /nfs/dbraw/zinc/45/42/41/730454241.db2.gz YCTKEXRZYYCXEV-OCAPTIKFSA-N -1 1 369.226 2.605 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)cc1F ZINC000866983835 731128188 /nfs/dbraw/zinc/12/81/88/731128188.db2.gz PEDBGDCETVGIPW-LBPRGKRZSA-N -1 1 372.418 2.812 20 5 FFBDMM O=C(Nc1ccc(Cl)cc1C(=O)NCC1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000740844682 735091294 /nfs/dbraw/zinc/09/12/94/735091294.db2.gz PUPBUVJDHVTDCL-UHFFFAOYSA-N -1 1 362.773 2.968 20 5 FFBDMM CS[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000784377029 738884929 /nfs/dbraw/zinc/88/49/29/738884929.db2.gz PBBNUTLVJPTPEH-NSHDSACASA-N -1 1 350.437 2.790 20 5 FFBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000742306283 735223394 /nfs/dbraw/zinc/22/33/94/735223394.db2.gz BOGGQEJWALPUBD-ZIAGYGMSSA-N -1 1 374.846 2.874 20 5 FFBDMM COCc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000747814431 735593719 /nfs/dbraw/zinc/59/37/19/735593719.db2.gz XGTPCOQIKASZMH-UHFFFAOYSA-N -1 1 360.391 2.790 20 5 FFBDMM O=C([O-])[C@@H]1CSCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901889905 735860629 /nfs/dbraw/zinc/86/06/29/735860629.db2.gz KNNSFTLEAVNZJU-JTQLQIEISA-N -1 1 364.345 2.863 20 5 FFBDMM Cc1cc(N[C@H]2CCCN3CCSC[C@H]23)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910386830 737067749 /nfs/dbraw/zinc/06/77/49/737067749.db2.gz PWJQTQAFUUZJHV-SWLSCSKDSA-N -1 1 351.428 2.593 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000920043197 737887759 /nfs/dbraw/zinc/88/77/59/737887759.db2.gz JLZHSIIKMIDBDO-SNVBAGLBSA-N -1 1 356.350 2.955 20 5 FFBDMM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000775741502 738120365 /nfs/dbraw/zinc/12/03/65/738120365.db2.gz RUKHYEREOOASOJ-OXHMUOHRSA-N -1 1 362.835 2.586 20 5 FFBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923246832 738260614 /nfs/dbraw/zinc/26/06/14/738260614.db2.gz BPMBFDHMBWNTBN-GXSJLCMTSA-N -1 1 357.204 2.900 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000808347765 741217352 /nfs/dbraw/zinc/21/73/52/741217352.db2.gz BCMYOZSDHUZZQC-JTQLQIEISA-N -1 1 368.798 2.703 20 5 FFBDMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819532 741347912 /nfs/dbraw/zinc/34/79/12/741347912.db2.gz WIPRTGCQEJUKKG-QMMMGPOBSA-N -1 1 371.242 2.587 20 5 FFBDMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809820903 741348295 /nfs/dbraw/zinc/34/82/95/741348295.db2.gz JFWWVLSRXLKHKU-SNVBAGLBSA-N -1 1 371.242 2.587 20 5 FFBDMM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822196 741348788 /nfs/dbraw/zinc/34/87/88/741348788.db2.gz YAFGITPXWGKTKR-QMMMGPOBSA-N -1 1 371.242 2.731 20 5 FFBDMM COCCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809824994 741349525 /nfs/dbraw/zinc/34/95/25/741349525.db2.gz XQSNLKIXSPFQTG-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM CCC[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809845195 741353397 /nfs/dbraw/zinc/35/33/97/741353397.db2.gz GVIVAXHTZSGQFO-ZDUSSCGKSA-N -1 1 366.798 2.625 20 5 FFBDMM COc1ccccc1CO[N-]C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000813559984 741734780 /nfs/dbraw/zinc/73/47/80/741734780.db2.gz ODJGKMMEWJDSEP-UHFFFAOYSA-N -1 1 352.293 2.672 20 5 FFBDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000822427602 742732034 /nfs/dbraw/zinc/73/20/34/742732034.db2.gz QHENUUBLAKGRAP-UHFFFAOYSA-N -1 1 361.362 2.613 20 5 FFBDMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000822686327 742769709 /nfs/dbraw/zinc/76/97/09/742769709.db2.gz NSVACIBWYMPIRB-UHFFFAOYSA-N -1 1 367.362 2.920 20 5 FFBDMM COCCC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830768027 745427068 /nfs/dbraw/zinc/42/70/68/745427068.db2.gz SBQCUBRAKURNJT-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM COC1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000841539792 747390485 /nfs/dbraw/zinc/39/04/85/747390485.db2.gz LBFBYXTUTGAFDR-UHFFFAOYSA-N -1 1 366.798 2.623 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848466789 748934276 /nfs/dbraw/zinc/93/42/76/748934276.db2.gz UELSDVLFKDMNOG-DZGCQCFKSA-N -1 1 374.846 2.874 20 5 FFBDMM C[C@@H]1[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311951447 963523766 /nfs/dbraw/zinc/52/37/66/963523766.db2.gz JTDQXWMXGOMRPX-TZMCWYRMSA-N -1 1 356.382 2.763 20 5 FFBDMM O=C(OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc([O-])cc1F ZINC000773574288 1013685837 /nfs/dbraw/zinc/68/58/37/1013685837.db2.gz DHIFMQSNLUNLFM-UHFFFAOYSA-N -1 1 359.269 2.847 20 5 FFBDMM CN1CCN(c2cccc(F)c2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001176679843 1013751652 /nfs/dbraw/zinc/75/16/52/1013751652.db2.gz PTMRUUVKTPYLQU-UHFFFAOYSA-N -1 1 374.372 2.928 20 5 FFBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000130342778 982120490 /nfs/dbraw/zinc/12/04/90/982120490.db2.gz XHHFYJBOIZFBKI-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001212194311 985916729 /nfs/dbraw/zinc/91/67/29/985916729.db2.gz SJZFBJHJNTYHJQ-SSDOTTSWSA-N -1 1 358.313 2.909 20 5 FFBDMM C[C@@](NCc1cnn(CC2CCC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593312076 994794374 /nfs/dbraw/zinc/79/43/74/994794374.db2.gz OSOZGKYKQIWTHY-SFHVURJKSA-N -1 1 358.398 2.681 20 5 FFBDMM COC[C@@]1(C(=O)[O-])CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001599193119 997160637 /nfs/dbraw/zinc/16/06/37/997160637.db2.gz WSPLURWBIOTKEE-GOSISDBHSA-N -1 1 360.366 2.920 20 5 FFBDMM COC(=O)c1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C ZINC001598932450 997790293 /nfs/dbraw/zinc/79/02/93/997790293.db2.gz PUOAZLAPIMAKJB-LJQANCHMSA-N -1 1 372.377 2.779 20 5 FFBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594166704 998634735 /nfs/dbraw/zinc/63/47/35/998634735.db2.gz ANRWJZLFECVPHU-WCBMZHEXSA-N -1 1 366.761 2.593 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000769047417 1000413912 /nfs/dbraw/zinc/41/39/12/1000413912.db2.gz NWAZRKRKPZJPOK-GFCCVEGCSA-N -1 1 358.350 2.504 20 5 FFBDMM O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000747188270 1003654673 /nfs/dbraw/zinc/65/46/73/1003654673.db2.gz JLHUOLPAOHNNOQ-UHFFFAOYSA-N -1 1 365.349 2.500 20 5 FFBDMM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001275597796 1012673479 /nfs/dbraw/zinc/67/34/79/1012673479.db2.gz SWDCGRVBMLHPIP-UHFFFAOYSA-N -1 1 360.345 2.680 20 5 FFBDMM O=C(OCCOc1ccccc1[N+](=O)[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000801204180 1018735735 /nfs/dbraw/zinc/73/57/35/1018735735.db2.gz ZEXVBIXSVHRCKB-UHFFFAOYSA-N -1 1 369.333 2.722 20 5 FFBDMM C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076050 1019645060 /nfs/dbraw/zinc/64/50/60/1019645060.db2.gz OVAQBKWJSUAACY-GFCCVEGCSA-N -1 1 370.361 2.825 20 5 FFBDMM O=C(OC[C@@H]1CN(C2CCCCC2)C(=O)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000828938169 1032915850 /nfs/dbraw/zinc/91/58/50/1032915850.db2.gz IKDSGWBDTMSYKP-HNNXBMFYSA-N -1 1 364.354 2.611 20 5 FFBDMM CNc1nccc(C(=O)Nc2ccc(Br)c([O-])c2)c1[N+](=O)[O-] ZINC001154321169 1028241197 /nfs/dbraw/zinc/24/11/97/1028241197.db2.gz CYXOWYCUDZYHAB-UHFFFAOYSA-N -1 1 367.159 2.752 20 5 FFBDMM O=[N+]([O-])c1c(Cl)ccnc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001157157211 1029484969 /nfs/dbraw/zinc/48/49/69/1029484969.db2.gz VFXKUPVHVBCAMX-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM COC[C@@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001166903854 1030569000 /nfs/dbraw/zinc/56/90/00/1030569000.db2.gz NPVKWNASCRQECG-MRXNPFEDSA-N -1 1 374.418 2.972 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCc2cccnc21 ZINC001226307329 1034623608 /nfs/dbraw/zinc/62/36/08/1034623608.db2.gz JJEPBPZHZBTNGW-LBPRGKRZSA-N -1 1 359.338 2.724 20 5 FFBDMM Cc1nc(=O)[n-]c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1Cl ZINC001227110665 1034938022 /nfs/dbraw/zinc/93/80/22/1034938022.db2.gz CDZNRDSKBHTIFZ-JTQLQIEISA-N -1 1 350.762 2.710 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCCOC3=O)c([N+](=O)[O-])c2)cc1 ZINC001227702189 1035683661 /nfs/dbraw/zinc/68/36/61/1035683661.db2.gz NZIDDUZBRGEXMN-INIZCTEOSA-N -1 1 371.345 2.924 20 5 FFBDMM CC(C)(C)n1cnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001536565600 1070007325 /nfs/dbraw/zinc/00/73/25/1070007325.db2.gz NEOBANXKBAHDRB-UHFFFAOYSA-N -1 1 368.191 2.956 20 5 FFBDMM O=[N+]([O-])C[C@H](Oc1ccccc1S(=O)(=O)c1ccc([O-])cc1)C1CC1 ZINC001229581568 1036758861 /nfs/dbraw/zinc/75/88/61/1036758861.db2.gz JQQHGLUSZQTLCL-INIZCTEOSA-N -1 1 363.391 2.659 20 5 FFBDMM CC1(C)COC(=O)[C@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229803768 1036909298 /nfs/dbraw/zinc/90/92/98/1036909298.db2.gz RZWRQFVRXMJIEU-MRXNPFEDSA-N -1 1 356.330 2.688 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC4CCOCC4)cc3c(=O)c12 ZINC001234797128 1037182407 /nfs/dbraw/zinc/18/24/07/1037182407.db2.gz BKKVDSDBKJPMAN-UHFFFAOYSA-N -1 1 358.346 2.924 20 5 FFBDMM Cc1cc(C(F)(F)F)nc2nn(-c3ccc([O-])c([N+](=O)[O-])c3)c(N)c21 ZINC001210393406 1039519056 /nfs/dbraw/zinc/51/90/56/1039519056.db2.gz SSRFIFDGGJPPMT-UHFFFAOYSA-N -1 1 353.260 2.944 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])s1 ZINC001261858784 1041450541 /nfs/dbraw/zinc/45/05/41/1041450541.db2.gz BKUWAZSAFHKZAJ-HRDYMLBCSA-N -1 1 352.384 2.677 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C/C=C/c2cccnc2)cc1Cl ZINC001309666699 1043475687 /nfs/dbraw/zinc/47/56/87/1043475687.db2.gz UCMPABQHCGVESZ-DUXPYHPUSA-N -1 1 371.777 2.774 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CCC2)cc1F ZINC001309792174 1043529121 /nfs/dbraw/zinc/52/91/21/1043529121.db2.gz PYDLHXUEMXXDPA-HNNXBMFYSA-N -1 1 372.418 2.812 20 5 FFBDMM COCCN(Cc1ccc(C)cc1C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001290727931 1048354123 /nfs/dbraw/zinc/35/41/23/1048354123.db2.gz CPIWTDQMIUPBRS-UHFFFAOYSA-N -1 1 359.382 2.601 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329372859 1048690290 /nfs/dbraw/zinc/69/02/90/1048690290.db2.gz XXGVWXXDSPGLPI-KXUCPTDWSA-N -1 1 366.773 2.960 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC001329805297 1048918966 /nfs/dbraw/zinc/91/89/66/1048918966.db2.gz GXOSAHLSYPVNHH-HNNXBMFYSA-N -1 1 365.386 2.949 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)n1 ZINC001356037464 1055236191 /nfs/dbraw/zinc/23/61/91/1055236191.db2.gz ATWMRDKXSFIPBI-UHFFFAOYSA-N -1 1 358.745 2.989 20 5 FFBDMM CC(C)c1nnc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)s1 ZINC001353638379 1056601885 /nfs/dbraw/zinc/60/18/85/1056601885.db2.gz PJGDJVYTDGTCLI-UHFFFAOYSA-N -1 1 364.383 2.983 20 5 FFBDMM Cc1ccc(Br)c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001451589111 1059127399 /nfs/dbraw/zinc/12/73/99/1059127399.db2.gz OIXPOXOSYBRLCT-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCCO1 ZINC001475540839 1061133184 /nfs/dbraw/zinc/13/31/84/1061133184.db2.gz XOXDQYFOCYIZNQ-DZGCQCFKSA-N -1 1 374.846 2.874 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)[n-]c1Cl ZINC001462918290 1061842501 /nfs/dbraw/zinc/84/25/01/1061842501.db2.gz CBMXTAWBBPMZLA-UHFFFAOYSA-N -1 1 366.761 2.963 20 5 FFBDMM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001470669516 1064405644 /nfs/dbraw/zinc/40/56/44/1064405644.db2.gz JVBTYSQNEYBBJX-UHFFFAOYSA-N -1 1 368.349 2.894 20 5 FFBDMM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001474939781 1065651826 /nfs/dbraw/zinc/65/18/26/1065651826.db2.gz WZCSHQHKTQYKEM-UHFFFAOYSA-N -1 1 372.349 2.539 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)cc1F ZINC001474982010 1065663174 /nfs/dbraw/zinc/66/31/74/1065663174.db2.gz VZOFTDQEBDHAGV-HIFRSBDPSA-N -1 1 364.398 2.952 20 5 FFBDMM CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001578422915 1078472237 /nfs/dbraw/zinc/47/22/37/1078472237.db2.gz FWJCIDPURSCFPK-GFCCVEGCSA-N -1 1 358.383 2.718 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[n-]1 ZINC001584268076 1079331016 /nfs/dbraw/zinc/33/10/16/1079331016.db2.gz CERFDQNQHCEUSL-UHFFFAOYSA-N -1 1 359.338 2.781 20 5 FFBDMM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559014381 1076115421 /nfs/dbraw/zinc/11/54/21/1076115421.db2.gz APRVMRSPCPRIBI-ZDUSSCGKSA-N -1 1 351.309 2.692 20 5 FFBDMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001561259042 1076353868 /nfs/dbraw/zinc/35/38/68/1076353868.db2.gz OKWCEUDOYZMSTC-GHMZBOCLSA-N -1 1 362.448 2.995 20 5 FFBDMM COc1cc(C)c([S@](C)=O)cc1OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001570509160 1077211512 /nfs/dbraw/zinc/21/15/12/1077211512.db2.gz PRTPLMVNWHXFOK-VWLOTQADSA-N -1 1 365.363 2.574 20 5 FFBDMM Cc1cc(OCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001586211233 1079575029 /nfs/dbraw/zinc/57/50/29/1079575029.db2.gz LBGFGFRTOVVYDA-UHFFFAOYSA-N -1 1 368.349 2.812 20 5 FFBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001588770182 1080187219 /nfs/dbraw/zinc/18/72/19/1080187219.db2.gz ISIIVJNHCUFYSU-CSKARUKUSA-N -1 1 366.337 2.523 20 5 FFBDMM CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1 ZINC001589149022 1080385969 /nfs/dbraw/zinc/38/59/69/1080385969.db2.gz DJXQSUHTKQNHLH-UHFFFAOYSA-N -1 1 374.401 2.699 20 5 FFBDMM CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1 ZINC001589149022 1080385977 /nfs/dbraw/zinc/38/59/77/1080385977.db2.gz DJXQSUHTKQNHLH-UHFFFAOYSA-N -1 1 374.401 2.699 20 5 FFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC001589984106 1080921236 /nfs/dbraw/zinc/92/12/36/1080921236.db2.gz KEEPAOPEFDNTDD-SECBINFHSA-N -1 1 354.326 2.677 20 5 FFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC001589984106 1080921240 /nfs/dbraw/zinc/92/12/40/1080921240.db2.gz KEEPAOPEFDNTDD-SECBINFHSA-N -1 1 354.326 2.677 20 5 FFBDMM C[C@@H](O)[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994076 1080927788 /nfs/dbraw/zinc/92/77/88/1080927788.db2.gz DEFSQBAGVPJZAZ-JMCQJSRRSA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@@H](O)[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994076 1080927791 /nfs/dbraw/zinc/92/77/91/1080927791.db2.gz DEFSQBAGVPJZAZ-JMCQJSRRSA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@@H]1[C@H](C(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590164131 1081063888 /nfs/dbraw/zinc/06/38/88/1081063888.db2.gz AZVLZYGBSVWEKQ-LDYMZIIASA-N -1 1 356.308 2.942 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590239897 1081114221 /nfs/dbraw/zinc/11/42/21/1081114221.db2.gz NOJXTGGTHKHIKJ-MVQRFQBOSA-N -1 1 372.429 2.541 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590241966 1081116264 /nfs/dbraw/zinc/11/62/64/1081116264.db2.gz YUCMPDQVDZIEFV-VXAPYIKBSA-N -1 1 372.429 2.541 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590241966 1081116265 /nfs/dbraw/zinc/11/62/65/1081116265.db2.gz YUCMPDQVDZIEFV-VXAPYIKBSA-N -1 1 372.429 2.541 20 5 FFBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000273547253 252327713 /nfs/dbraw/zinc/32/77/13/252327713.db2.gz LYGKWSBNCYIZMU-MNOVXSKESA-N -1 1 362.835 2.732 20 5 FFBDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)c1OC ZINC000277222342 256174195 /nfs/dbraw/zinc/17/41/95/256174195.db2.gz HXVWZMAGMHVMEO-HNNXBMFYSA-N -1 1 360.366 2.918 20 5 FFBDMM CC(C)n1c(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n[n-]c1=S ZINC000066640509 506591501 /nfs/dbraw/zinc/59/15/01/506591501.db2.gz POOXXRYNKONTDG-UHFFFAOYSA-N -1 1 374.426 2.701 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000011443214 506777001 /nfs/dbraw/zinc/77/70/01/506777001.db2.gz UHGCFVQPFYRRHM-JTQLQIEISA-N -1 1 362.411 2.750 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068426688 507226720 /nfs/dbraw/zinc/22/67/20/507226720.db2.gz DOBQXOPCUUTFEO-UHFFFAOYSA-N -1 1 361.427 2.714 20 5 FFBDMM COCCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000078585309 507885910 /nfs/dbraw/zinc/88/59/10/507885910.db2.gz KOSOYGVVLGCKLX-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)s1 ZINC000135535745 508618985 /nfs/dbraw/zinc/61/89/85/508618985.db2.gz YJSYODMAGXFUCF-UHFFFAOYSA-N -1 1 351.409 2.659 20 5 FFBDMM CCC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn[n-]n1 ZINC000136685719 508708894 /nfs/dbraw/zinc/70/88/94/508708894.db2.gz FKLYFFMNUVVVMM-LLVKDONJSA-N -1 1 373.398 2.503 20 5 FFBDMM COCc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119550957 508817012 /nfs/dbraw/zinc/81/70/12/508817012.db2.gz ODCVLGDNUJCORN-UHFFFAOYSA-N -1 1 370.814 2.873 20 5 FFBDMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000151012160 508939426 /nfs/dbraw/zinc/93/94/26/508939426.db2.gz LWPASANFUOHHQL-UHFFFAOYSA-N -1 1 371.271 2.866 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)s1 ZINC000186553347 509768296 /nfs/dbraw/zinc/76/82/96/509768296.db2.gz VOSYUZBGJMVFTB-UHFFFAOYSA-N -1 1 374.827 2.723 20 5 FFBDMM CC(C)c1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000171043676 509906291 /nfs/dbraw/zinc/90/62/91/509906291.db2.gz DPWIQXAZQJZRCN-UHFFFAOYSA-N -1 1 373.431 2.835 20 5 FFBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000174029802 509913508 /nfs/dbraw/zinc/91/35/08/509913508.db2.gz MZPCWNKMYHBEPB-GHMZBOCLSA-N -1 1 360.457 2.672 20 5 FFBDMM O=C(NCCOc1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186965556 509978016 /nfs/dbraw/zinc/97/80/16/509978016.db2.gz VVQBMABLKNLBCJ-UHFFFAOYSA-N -1 1 371.271 2.523 20 5 FFBDMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187113994 510065231 /nfs/dbraw/zinc/06/52/31/510065231.db2.gz AKTLDHUBNCNTLP-LBPRGKRZSA-N -1 1 373.340 2.570 20 5 FFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177854372 510290556 /nfs/dbraw/zinc/29/05/56/510290556.db2.gz QEOUGOKMYFUICG-SECBINFHSA-N -1 1 362.411 2.508 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000194742080 510505925 /nfs/dbraw/zinc/50/59/25/510505925.db2.gz MMGUKGIZEKYHQM-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c2cccnc21 ZINC000184967575 510607378 /nfs/dbraw/zinc/60/73/78/510607378.db2.gz NIBLUZBXNHUKQQ-UHFFFAOYSA-N -1 1 371.374 2.879 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCSC2)c1Cl ZINC000295362358 511377461 /nfs/dbraw/zinc/37/74/61/511377461.db2.gz ZGZCMHRCQAWUSD-ZCFIWIBFSA-N -1 1 357.240 2.685 20 5 FFBDMM COc1cc2c(cc1Cl)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000295576630 511449983 /nfs/dbraw/zinc/44/99/83/511449983.db2.gz LDSUVNTYNBMWQY-UHFFFAOYSA-N -1 1 363.757 2.556 20 5 FFBDMM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000299042795 511494387 /nfs/dbraw/zinc/49/43/87/511494387.db2.gz SHVWYGPJUAJSNG-CYBMUJFWSA-N -1 1 359.386 2.793 20 5 FFBDMM CC1CCC(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)CC1 ZINC000363621998 511662924 /nfs/dbraw/zinc/66/29/24/511662924.db2.gz MFADLICYUGIKLU-UHFFFAOYSA-N -1 1 363.414 2.895 20 5 FFBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Cl ZINC000326303168 511855640 /nfs/dbraw/zinc/85/56/40/511855640.db2.gz IKSDDHHPRZATFI-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1F ZINC000326801776 511864270 /nfs/dbraw/zinc/86/42/70/511864270.db2.gz SYRRXWTZXRLCGQ-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000274759781 511933037 /nfs/dbraw/zinc/93/30/37/511933037.db2.gz YJNKXPWGFZNQFZ-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000378374679 512726951 /nfs/dbraw/zinc/72/69/51/512726951.db2.gz DWEKVRPDQCEUHC-SWLSCSKDSA-N -1 1 368.436 2.712 20 5 FFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1cccc(Cl)c1 ZINC000440275529 513286217 /nfs/dbraw/zinc/28/62/17/513286217.db2.gz WUECQFBHOSPAAT-VIFPVBQESA-N -1 1 351.746 2.546 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000414451539 514124962 /nfs/dbraw/zinc/12/49/62/514124962.db2.gz KIXQKAUUKIHUCB-ZETCQYMHSA-N -1 1 362.276 2.936 20 5 FFBDMM COc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[N+](=O)[O-] ZINC000444753703 514318762 /nfs/dbraw/zinc/31/87/62/514318762.db2.gz PZKCSJNRWIDLGP-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM O=C(NCCCCc1ccc(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445206334 514443046 /nfs/dbraw/zinc/44/30/46/514443046.db2.gz ADIWZNDONXQPLI-UHFFFAOYSA-N -1 1 351.309 2.726 20 5 FFBDMM O=C(Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000461179859 514530380 /nfs/dbraw/zinc/53/03/80/514530380.db2.gz NOZVILHQKPHQOE-UHFFFAOYSA-N -1 1 351.322 2.823 20 5 FFBDMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2nn1C ZINC000461333981 514570546 /nfs/dbraw/zinc/57/05/46/514570546.db2.gz UTXNVTJFEKHUSS-UHFFFAOYSA-N -1 1 360.395 2.899 20 5 FFBDMM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462294256 514979377 /nfs/dbraw/zinc/97/93/77/514979377.db2.gz FCUGRMWFBCGPGE-WFASDCNBSA-N -1 1 368.436 2.673 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2C)c1Br ZINC000485491595 515060020 /nfs/dbraw/zinc/06/00/20/515060020.db2.gz NVFOSSRUIHQIEG-UHFFFAOYSA-N -1 1 353.176 2.625 20 5 FFBDMM Cc1c(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cccc1[N+](=O)[O-] ZINC000480853776 515108443 /nfs/dbraw/zinc/10/84/43/515108443.db2.gz BXFYCDRTGGUSJR-UHFFFAOYSA-N -1 1 360.313 2.799 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000490524981 515237792 /nfs/dbraw/zinc/23/77/92/515237792.db2.gz WVTRVQGEMZPGFY-UHFFFAOYSA-N -1 1 359.429 2.692 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000477424568 515452745 /nfs/dbraw/zinc/45/27/45/515452745.db2.gz BESUQOJWOMZNFZ-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2noc(=NC[C@@H](c3ccco3)N3CCCC3)[n-]2)cc1 ZINC000486433998 515481157 /nfs/dbraw/zinc/48/11/57/515481157.db2.gz NWRCJJDVEJWPFI-HNNXBMFYSA-N -1 1 369.381 2.909 20 5 FFBDMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000468900985 515572771 /nfs/dbraw/zinc/57/27/71/515572771.db2.gz JFEAYFGIFJLVLS-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM COCCCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000473528070 515648714 /nfs/dbraw/zinc/64/87/14/515648714.db2.gz LZPINVWWCBIHHI-HNNXBMFYSA-N -1 1 359.382 2.983 20 5 FFBDMM CC(C)OC(=O)C[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000494890568 515998165 /nfs/dbraw/zinc/99/81/65/515998165.db2.gz GOSUIKIQWHCZDU-CYBMUJFWSA-N -1 1 373.365 2.508 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c([N+](=O)[O-])c1 ZINC000479135040 516071817 /nfs/dbraw/zinc/07/18/17/516071817.db2.gz PAFLFFHUISVDIN-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Br ZINC000547725478 516520471 /nfs/dbraw/zinc/52/04/71/516520471.db2.gz WFYIXLGXTOOUSC-UHFFFAOYSA-N -1 1 368.143 2.724 20 5 FFBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518587232 516712393 /nfs/dbraw/zinc/71/23/93/516712393.db2.gz BZUIAQXVTKTSGF-UHFFFAOYSA-N -1 1 364.851 2.979 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000525188976 516952611 /nfs/dbraw/zinc/95/26/11/516952611.db2.gz LOYLFHKHFAHWGP-KWQFWETISA-N -1 1 371.777 2.617 20 5 FFBDMM Cc1cc(F)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000548527350 517036953 /nfs/dbraw/zinc/03/69/53/517036953.db2.gz ZWGLSHBILBVQON-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM COc1cc2c(cc1OC)CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000559049413 517058137 /nfs/dbraw/zinc/05/81/37/517058137.db2.gz NLXKXDQKGKGRTC-UHFFFAOYSA-N -1 1 358.394 2.918 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000548766975 517202428 /nfs/dbraw/zinc/20/24/28/517202428.db2.gz JRCHPHIJYSDGQX-AWEZNQCLSA-N -1 1 353.375 2.805 20 5 FFBDMM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000581506075 518319984 /nfs/dbraw/zinc/31/99/84/518319984.db2.gz PXDLWODAVMTUKQ-OTYXRUKQSA-N -1 1 374.415 2.850 20 5 FFBDMM Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564334718 518404335 /nfs/dbraw/zinc/40/43/35/518404335.db2.gz IADZTSCTMZNDTA-CHWSQXEVSA-N -1 1 351.403 2.513 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1 ZINC000584867232 518514483 /nfs/dbraw/zinc/51/44/83/518514483.db2.gz RTNSYNPOVIMPNK-QHCPKHFHSA-N -1 1 368.436 2.750 20 5 FFBDMM C[C@H](c1ccncc1)N1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000565035016 518752514 /nfs/dbraw/zinc/75/25/14/518752514.db2.gz DREFGGRPBPIRIL-GFCCVEGCSA-N -1 1 371.397 2.721 20 5 FFBDMM COc1cc(CN(C[C@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000565111408 518790958 /nfs/dbraw/zinc/79/09/58/518790958.db2.gz LUXNGSJDSMIQRK-VIFPVBQESA-N -1 1 374.340 2.890 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000590522164 519253558 /nfs/dbraw/zinc/25/35/58/519253558.db2.gz INGMCORPVBBWDF-UHFFFAOYSA-N -1 1 364.383 2.601 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000595383397 520440930 /nfs/dbraw/zinc/44/09/30/520440930.db2.gz MNMQEEMJKVXAOY-UHFFFAOYSA-N -1 1 370.349 2.702 20 5 FFBDMM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000610006354 520505963 /nfs/dbraw/zinc/50/59/63/520505963.db2.gz KLHPEKYSJGTKIF-UHFFFAOYSA-N -1 1 358.807 2.504 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000610262581 520609091 /nfs/dbraw/zinc/60/90/91/520609091.db2.gz KDJCABUDQYQNAW-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM Cc1cc(N2CCN(Cc3cccs3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592967117 520663396 /nfs/dbraw/zinc/66/33/96/520663396.db2.gz MOIDVQGNYRHNKU-UHFFFAOYSA-N -1 1 361.423 2.985 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000611106224 520986598 /nfs/dbraw/zinc/98/65/98/520986598.db2.gz QGRJTQNUTOCSNR-JHJVBQTASA-N -1 1 358.464 2.550 20 5 FFBDMM O=[N+]([O-])c1cnc(Sc2c(F)cc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000738374309 598500146 /nfs/dbraw/zinc/50/01/46/598500146.db2.gz NJHURPOGJLODES-UHFFFAOYSA-N -1 1 354.273 2.738 20 5 FFBDMM O=[N+]([O-])c1cnc(Sc2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000738373707 599321486 /nfs/dbraw/zinc/32/14/86/599321486.db2.gz FWXIPQVCDWSBTG-UHFFFAOYSA-N -1 1 357.380 2.931 20 5 FFBDMM CN(Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000739712916 602655325 /nfs/dbraw/zinc/65/53/25/602655325.db2.gz MXMYRJBXDBPIMV-UHFFFAOYSA-N -1 1 365.367 2.505 20 5 FFBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826472591 607594544 /nfs/dbraw/zinc/59/45/44/607594544.db2.gz PJAWJYLZBYDVJM-UHFFFAOYSA-N -1 1 370.394 2.641 20 5 FFBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826472591 607594546 /nfs/dbraw/zinc/59/45/46/607594546.db2.gz PJAWJYLZBYDVJM-UHFFFAOYSA-N -1 1 370.394 2.641 20 5 FFBDMM Cc1cc([C@@H](C)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C(=O)[O-] ZINC000832871149 604384091 /nfs/dbraw/zinc/38/40/91/604384091.db2.gz OXZCBPIUNWPQFY-VXGBXAGGSA-N -1 1 360.370 2.837 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1[N+](=O)[O-] ZINC000827097128 604939279 /nfs/dbraw/zinc/93/92/79/604939279.db2.gz DGGKYIHNOJIGTC-UHFFFAOYSA-N -1 1 374.397 2.949 20 5 FFBDMM O=C([O-])Nc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(O)c1 ZINC000834255981 605662403 /nfs/dbraw/zinc/66/24/03/605662403.db2.gz MHIPBXFUCXTLMR-UHFFFAOYSA-N -1 1 357.282 2.519 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(N2CCCCC2)c1 ZINC000823624585 606701752 /nfs/dbraw/zinc/70/17/52/606701752.db2.gz DRCRDSWRUMRJHR-UHFFFAOYSA-N -1 1 366.385 2.904 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(N2CCCCC2)c1 ZINC000823624585 606701754 /nfs/dbraw/zinc/70/17/54/606701754.db2.gz DRCRDSWRUMRJHR-UHFFFAOYSA-N -1 1 366.385 2.904 20 5 FFBDMM C[C@@H]1C[C@@H](c2ccccc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820666551 606710350 /nfs/dbraw/zinc/71/03/50/606710350.db2.gz IJBPCDSZGZFOFH-DGCLKSJQSA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@@H]1C[C@@H](c2ccccc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820666551 606710351 /nfs/dbraw/zinc/71/03/51/606710351.db2.gz IJBPCDSZGZFOFH-DGCLKSJQSA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820774775 606713438 /nfs/dbraw/zinc/71/34/38/606713438.db2.gz FUXXAGONJJUJMS-TZMCWYRMSA-N -1 1 365.397 2.800 20 5 FFBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820774775 606713440 /nfs/dbraw/zinc/71/34/40/606713440.db2.gz FUXXAGONJJUJMS-TZMCWYRMSA-N -1 1 365.397 2.800 20 5 FFBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820774572 606713647 /nfs/dbraw/zinc/71/36/47/606713647.db2.gz FUXXAGONJJUJMS-GXTWGEPZSA-N -1 1 365.397 2.800 20 5 FFBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000820774572 606713649 /nfs/dbraw/zinc/71/36/49/606713649.db2.gz FUXXAGONJJUJMS-GXTWGEPZSA-N -1 1 365.397 2.800 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OCC(F)F)cc1 ZINC000823625409 606716284 /nfs/dbraw/zinc/71/62/84/606716284.db2.gz UOJRRBWUTVCILF-UHFFFAOYSA-N -1 1 363.284 2.557 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OCC(F)F)cc1 ZINC000823625409 606716286 /nfs/dbraw/zinc/71/62/86/606716286.db2.gz UOJRRBWUTVCILF-UHFFFAOYSA-N -1 1 363.284 2.557 20 5 FFBDMM CC(C)Oc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820154864 607166510 /nfs/dbraw/zinc/16/65/10/607166510.db2.gz APZRCYRXNOYBRD-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM CC(C)Oc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820154864 607166511 /nfs/dbraw/zinc/16/65/11/607166511.db2.gz APZRCYRXNOYBRD-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2ccc(-n3ccnc3)cc2)cc1-c1nn[n-]n1 ZINC000826499191 607842468 /nfs/dbraw/zinc/84/24/68/607842468.db2.gz ZIPONMPXUJNUGU-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM CCOc1cccc([C@H]2C[C@@H]2Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000825649339 608589050 /nfs/dbraw/zinc/58/90/50/608589050.db2.gz PJRBCYKSUVVUDY-KGLIPLIRSA-N -1 1 367.369 2.537 20 5 FFBDMM CCOc1cccc([C@H]2C[C@@H]2Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000825649339 608589053 /nfs/dbraw/zinc/58/90/53/608589053.db2.gz PJRBCYKSUVVUDY-KGLIPLIRSA-N -1 1 367.369 2.537 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000044253210 727984295 /nfs/dbraw/zinc/98/42/95/727984295.db2.gz FQAZIOPEIVNGCQ-UHFFFAOYSA-N -1 1 360.347 2.810 20 5 FFBDMM O=C(c1ccc(Cl)cc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000130316240 728716775 /nfs/dbraw/zinc/71/67/75/728716775.db2.gz BIVHUEWAFLMFCA-UHFFFAOYSA-N -1 1 361.785 2.916 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1F ZINC000135294059 728737224 /nfs/dbraw/zinc/73/72/24/728737224.db2.gz QKJLPJHSGDPSGJ-UHFFFAOYSA-N -1 1 371.321 2.632 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] ZINC000135607471 728738738 /nfs/dbraw/zinc/73/87/38/728738738.db2.gz YJTCZJPXOFZMBW-UHFFFAOYSA-N -1 1 360.347 2.810 20 5 FFBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194342004 729507729 /nfs/dbraw/zinc/50/77/29/729507729.db2.gz LQNJIOGMKIHIJG-UHFFFAOYSA-N -1 1 368.386 3.000 20 5 FFBDMM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000882701909 733274205 /nfs/dbraw/zinc/27/42/05/733274205.db2.gz IFTPKBITPBNMQR-OCAPTIKFSA-N -1 1 369.226 2.605 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000882757921 733287766 /nfs/dbraw/zinc/28/77/66/733287766.db2.gz SLJFPZQUSHWGKN-PWSUYJOCSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000886399407 733782699 /nfs/dbraw/zinc/78/26/99/733782699.db2.gz ULUCTFKIIXMQRB-UHFFFAOYSA-N -1 1 361.423 2.692 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1Cl ZINC000739384489 735050837 /nfs/dbraw/zinc/05/08/37/735050837.db2.gz HHIYMAHUGNPUIY-UHFFFAOYSA-N -1 1 352.759 2.697 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000784359434 738883217 /nfs/dbraw/zinc/88/32/17/738883217.db2.gz ROKCZEWMQXEYIF-SNVBAGLBSA-N -1 1 350.849 2.812 20 5 FFBDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000742024897 735198115 /nfs/dbraw/zinc/19/81/15/735198115.db2.gz DAQRFQONXXPZJB-UHFFFAOYSA-N -1 1 367.358 2.517 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000742308886 735223821 /nfs/dbraw/zinc/22/38/21/735223821.db2.gz LRMQHQNCGZVSKB-GXTWGEPZSA-N -1 1 350.371 2.643 20 5 FFBDMM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000765231810 737099144 /nfs/dbraw/zinc/09/91/44/737099144.db2.gz ZCCWJDZJSZBVSU-UHFFFAOYSA-N -1 1 352.387 2.872 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000921849900 738055445 /nfs/dbraw/zinc/05/54/45/738055445.db2.gz XDCNTUYCEITQOZ-MLGOLLRUSA-N -1 1 372.418 2.526 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795773706 740062057 /nfs/dbraw/zinc/06/20/57/740062057.db2.gz DBMBZASONDMTDV-ZCFIWIBFSA-N -1 1 367.196 2.573 20 5 FFBDMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393873 741305232 /nfs/dbraw/zinc/30/52/32/741305232.db2.gz XUKRESMEKCDFIO-XVKPBYJWSA-N -1 1 371.242 2.587 20 5 FFBDMM CO[C@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809813151 741346502 /nfs/dbraw/zinc/34/65/02/741346502.db2.gz ANVNWUPECIJGRH-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819531 741347833 /nfs/dbraw/zinc/34/78/33/741347833.db2.gz WIPRTGCQEJUKKG-MRVPVSSYSA-N -1 1 371.242 2.587 20 5 FFBDMM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833547 741350918 /nfs/dbraw/zinc/35/09/18/741350918.db2.gz VFIWGUWFZCVJQP-UHFFFAOYSA-N -1 1 373.793 2.823 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)cc1Cl ZINC000809833081 741351157 /nfs/dbraw/zinc/35/11/57/741351157.db2.gz XBZAAZKNXIRKQO-QMMMGPOBSA-N -1 1 368.839 2.951 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000832370413 745686032 /nfs/dbraw/zinc/68/60/32/745686032.db2.gz WDHLCBLGNIOBBA-LLVKDONJSA-N -1 1 371.217 2.986 20 5 FFBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000832544027 745716264 /nfs/dbraw/zinc/71/62/64/745716264.db2.gz KRXYXQXHMYTAKH-CYBMUJFWSA-N -1 1 367.452 2.906 20 5 FFBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000832544028 745716358 /nfs/dbraw/zinc/71/63/58/745716358.db2.gz KRXYXQXHMYTAKH-ZDUSSCGKSA-N -1 1 367.452 2.906 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CS1 ZINC000841558636 747398602 /nfs/dbraw/zinc/39/86/02/747398602.db2.gz JKNRLFHBXCZVER-RQJHMYQMSA-N -1 1 354.812 2.560 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CS1 ZINC000841561643 747400588 /nfs/dbraw/zinc/40/05/88/747400588.db2.gz SHNFBJJTBDYYRW-NKWVEPMBSA-N -1 1 354.812 2.560 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000842587199 747632884 /nfs/dbraw/zinc/63/28/84/747632884.db2.gz YQPDQKDSTHXYSP-UHFFFAOYSA-N -1 1 363.395 2.979 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@]1(F)Cl ZINC000845974618 748368352 /nfs/dbraw/zinc/36/83/52/748368352.db2.gz CUYUROSSVDPJFO-VXGBXAGGSA-N -1 1 354.762 2.717 20 5 FFBDMM CC(C)c1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1[N+](=O)[O-] ZINC001591953697 976517507 /nfs/dbraw/zinc/51/75/07/976517507.db2.gz AHZCUTFYJGTZII-AWEZNQCLSA-N -1 1 373.413 2.845 20 5 FFBDMM COc1cccc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000193831662 989087678 /nfs/dbraw/zinc/08/76/78/989087678.db2.gz CAFQIAFQGVNLGM-UHFFFAOYSA-N -1 1 371.328 2.704 20 5 FFBDMM CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769050058 1000424593 /nfs/dbraw/zinc/42/45/93/1000424593.db2.gz ZCSPOUCTXMJACK-UHFFFAOYSA-N -1 1 372.333 2.689 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001170982905 1008546733 /nfs/dbraw/zinc/54/67/33/1008546733.db2.gz BYLIQISVKBXKOS-SFHVURJKSA-N -1 1 364.361 2.811 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000647816433 1012595534 /nfs/dbraw/zinc/59/55/34/1012595534.db2.gz IRKJWQPLQFPAPT-UHFFFAOYSA-N -1 1 370.315 2.949 20 5 FFBDMM O=C([N-][C@@H](CO)c1c(F)cccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778424136 1021963894 /nfs/dbraw/zinc/96/38/94/1021963894.db2.gz YCAZJMCEQIJIGG-ZDUSSCGKSA-N -1 1 372.274 2.815 20 5 FFBDMM O=C([N-]CCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C(F)(F)F ZINC001164238649 1029213760 /nfs/dbraw/zinc/21/37/60/1029213760.db2.gz ZTSFPUXZZJZIAA-UHFFFAOYSA-N -1 1 354.288 2.747 20 5 FFBDMM Cc1cnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[n-]c1=O ZINC001166227222 1030312065 /nfs/dbraw/zinc/31/20/65/1030312065.db2.gz BMOJCQGOEJYXMN-UHFFFAOYSA-N -1 1 354.775 2.783 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000784217705 1030515702 /nfs/dbraw/zinc/51/57/02/1030515702.db2.gz UIZYJOJUQKZAFJ-NSHDSACASA-N -1 1 354.322 2.799 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225660025 1034352911 /nfs/dbraw/zinc/35/29/11/1034352911.db2.gz BTOBNHFJOMLTTC-JQWIXIFHSA-N -1 1 371.365 2.812 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3COC(=O)C3)c([N+](=O)[O-])c2)cc1 ZINC001227700465 1035684812 /nfs/dbraw/zinc/68/48/12/1035684812.db2.gz UTXXFLGPUGUHFP-ZDUSSCGKSA-N -1 1 357.318 2.534 20 5 FFBDMM CC(C)C(=O)OCC(C)(C)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140677 1035957219 /nfs/dbraw/zinc/95/72/19/1035957219.db2.gz MFGBOZVFVUCTTO-GFCCVEGCSA-N -1 1 355.391 2.719 20 5 FFBDMM CCC[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C(=O)OCC ZINC001228862262 1036369922 /nfs/dbraw/zinc/36/99/22/1036369922.db2.gz MGYPWKBOCCGVPC-QMMMGPOBSA-N -1 1 352.265 2.825 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395981 1036649503 /nfs/dbraw/zinc/64/95/03/1036649503.db2.gz OKTLAWDKFAWTHT-CYBMUJFWSA-N -1 1 368.386 2.705 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001229396219 1036649804 /nfs/dbraw/zinc/64/98/04/1036649804.db2.gz RKOZGCRLPHJWFZ-KRWDZBQOSA-N -1 1 358.394 2.970 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258598 1037514288 /nfs/dbraw/zinc/51/42/88/1037514288.db2.gz AJWBWZQGNHNADN-YABSGUDNSA-N -1 1 365.386 2.638 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 ZINC001231261125 1037515880 /nfs/dbraw/zinc/51/58/80/1037515880.db2.gz YOBVWIUMGWJTHA-MNOVXSKESA-N -1 1 353.375 2.781 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCCS1 ZINC001309725861 1043498938 /nfs/dbraw/zinc/49/89/38/1043498938.db2.gz UPZJSJPXAYSJDH-SNVBAGLBSA-N -1 1 350.849 2.812 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CCC2)cc1F ZINC001309792175 1043529350 /nfs/dbraw/zinc/52/93/50/1043529350.db2.gz PYDLHXUEMXXDPA-OAHLLOKOSA-N -1 1 372.418 2.812 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC001318876865 1044918624 /nfs/dbraw/zinc/91/86/24/1044918624.db2.gz HLZJXCKGVAGSIU-UHFFFAOYSA-N -1 1 358.350 2.944 20 5 FFBDMM CC(C)n1ncc2c1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC001320297942 1045385656 /nfs/dbraw/zinc/38/56/56/1045385656.db2.gz BKOQVYQQQYGCOZ-GFCCVEGCSA-N -1 1 370.456 2.790 20 5 FFBDMM CCCc1[nH]nc(C(=O)Nc2ccc(Br)c([O-])c2)c1[N+](=O)[O-] ZINC001320675671 1045447209 /nfs/dbraw/zinc/44/72/09/1045447209.db2.gz NYLACQDGLVYWDX-UHFFFAOYSA-N -1 1 369.175 2.991 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001321999736 1045908959 /nfs/dbraw/zinc/90/89/59/1045908959.db2.gz GDLGOYLEGOGXEA-NSHDSACASA-N -1 1 367.365 2.592 20 5 FFBDMM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC001325204279 1046415584 /nfs/dbraw/zinc/41/55/84/1046415584.db2.gz SAYDPJRUQYYKPN-JGVFFNPUSA-N -1 1 369.226 2.747 20 5 FFBDMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC001475391976 1048278366 /nfs/dbraw/zinc/27/83/66/1048278366.db2.gz VDOKMUDLCQIQAN-BMIGLBTASA-N -1 1 360.407 2.524 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001304012804 1051502408 /nfs/dbraw/zinc/50/24/08/1051502408.db2.gz CXUQMSXPXCHXKG-UHFFFAOYSA-N -1 1 352.293 2.560 20 5 FFBDMM COc1cnc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[n-]c1=O ZINC001304658155 1051665802 /nfs/dbraw/zinc/66/58/02/1051665802.db2.gz CBGYTRZRWKDLDF-CYBMUJFWSA-N -1 1 372.381 2.693 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001308993168 1052534256 /nfs/dbraw/zinc/53/42/56/1052534256.db2.gz QIQMFADCLKTGKZ-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001350964507 1056019050 /nfs/dbraw/zinc/01/90/50/1056019050.db2.gz AWEGLDWLQGRLQB-UHFFFAOYSA-N -1 1 366.420 2.973 20 5 FFBDMM COC(=O)c1cc(C(=O)NCc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001455441106 1059788812 /nfs/dbraw/zinc/78/88/12/1059788812.db2.gz OIHDYFRUBQSQOX-UHFFFAOYSA-N -1 1 364.741 2.670 20 5 FFBDMM O=C(Nc1cnn(-c2ccncc2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001546335002 1060605068 /nfs/dbraw/zinc/60/50/68/1060605068.db2.gz JAKJJDOJQQCZTF-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])n1 ZINC001475279608 1061032664 /nfs/dbraw/zinc/03/26/64/1061032664.db2.gz OSTQBFPZVSIDRG-UHFFFAOYSA-N -1 1 367.402 2.657 20 5 FFBDMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001475488394 1061110585 /nfs/dbraw/zinc/11/05/85/1061110585.db2.gz VDFWGILLHZOIRF-LBPRGKRZSA-N -1 1 360.407 2.526 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)cc1F ZINC001463396899 1062085275 /nfs/dbraw/zinc/08/52/75/1062085275.db2.gz CDSOYOFLUOPZIP-STQMWFEESA-N -1 1 374.434 2.914 20 5 FFBDMM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001464662677 1062749744 /nfs/dbraw/zinc/74/97/44/1062749744.db2.gz DRWVFPDAZRFMOJ-UMSPYCQHSA-N -1 1 360.819 2.674 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001464732947 1062789626 /nfs/dbraw/zinc/78/96/26/1062789626.db2.gz VJINBDZWIDKSQS-HUUCEWRRSA-N -1 1 361.423 2.537 20 5 FFBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC001525143348 1063168276 /nfs/dbraw/zinc/16/82/76/1063168276.db2.gz ZTXOSPIFWGESMS-UHFFFAOYSA-N -1 1 360.395 2.943 20 5 FFBDMM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335185 1078465538 /nfs/dbraw/zinc/46/55/38/1078465538.db2.gz NCUSJOBZSXJLAX-RYUDHWBXSA-N -1 1 364.431 2.986 20 5 FFBDMM CCO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335185 1078465543 /nfs/dbraw/zinc/46/55/43/1078465543.db2.gz NCUSJOBZSXJLAX-RYUDHWBXSA-N -1 1 364.431 2.986 20 5 FFBDMM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335183 1078465563 /nfs/dbraw/zinc/46/55/63/1078465563.db2.gz NCUSJOBZSXJLAX-NEPJUHHUSA-N -1 1 364.431 2.986 20 5 FFBDMM CCO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335183 1078465566 /nfs/dbraw/zinc/46/55/66/1078465566.db2.gz NCUSJOBZSXJLAX-NEPJUHHUSA-N -1 1 364.431 2.986 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@]2(c3ccccc3)CCCO2)cccc1-c1nnn[n-]1 ZINC001582801743 1079108528 /nfs/dbraw/zinc/10/85/28/1079108528.db2.gz DJPUXOCJYBPWJZ-SFHVURJKSA-N -1 1 366.381 2.893 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@]2(c3ccccc3)CCCO2)cccc1-c1nn[n-]n1 ZINC001582801743 1079108533 /nfs/dbraw/zinc/10/85/33/1079108533.db2.gz DJPUXOCJYBPWJZ-SFHVURJKSA-N -1 1 366.381 2.893 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC(Cc2c(F)cccc2F)C1 ZINC001582802362 1079108564 /nfs/dbraw/zinc/10/85/64/1079108564.db2.gz QVOPBRYVRNEIBD-UHFFFAOYSA-N -1 1 372.335 2.732 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC(Cc2c(F)cccc2F)C1 ZINC001582802362 1079108566 /nfs/dbraw/zinc/10/85/66/1079108566.db2.gz QVOPBRYVRNEIBD-UHFFFAOYSA-N -1 1 372.335 2.732 20 5 FFBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c([O-])cnc2c(F)cccc21 ZINC001567174404 1077003680 /nfs/dbraw/zinc/00/36/80/1077003680.db2.gz HWSFMAZRMYQXDJ-UHFFFAOYSA-N -1 1 355.325 2.960 20 5 FFBDMM O=C(Nc1c([O-])cccc1Cl)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001569682742 1077159291 /nfs/dbraw/zinc/15/92/91/1077159291.db2.gz SCWVDUATPVOZAT-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM CC(C)(C)SCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589208965 1080421080 /nfs/dbraw/zinc/42/10/80/1080421080.db2.gz KWNSMCHFQNUKRX-UHFFFAOYSA-N -1 1 374.426 2.622 20 5 FFBDMM C[C@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801951 1080757464 /nfs/dbraw/zinc/75/74/64/1080757464.db2.gz DSRHNEALCJEXAS-SKDRFNHKSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801951 1080757471 /nfs/dbraw/zinc/75/74/71/1080757471.db2.gz DSRHNEALCJEXAS-SKDRFNHKSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589801880 1080758383 /nfs/dbraw/zinc/75/83/83/1080758383.db2.gz CCRBDDALRPZWND-NHYWBVRUSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589801880 1080758392 /nfs/dbraw/zinc/75/83/92/1080758392.db2.gz CCRBDDALRPZWND-NHYWBVRUSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@@H](c1ccc(C(F)(F)F)cc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590040816 1080966028 /nfs/dbraw/zinc/96/60/28/1080966028.db2.gz ZRPHDHPJLCETHZ-ZETCQYMHSA-N -1 1 353.264 2.600 20 5 FFBDMM C[C@H]1C[C@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590218207 1081100883 /nfs/dbraw/zinc/10/08/83/1081100883.db2.gz GQLZDVJDUJSCCK-GZMMTYOYSA-N -1 1 355.358 2.686 20 5 FFBDMM C[C@H]1C[C@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590218207 1081100887 /nfs/dbraw/zinc/10/08/87/1081100887.db2.gz GQLZDVJDUJSCCK-GZMMTYOYSA-N -1 1 355.358 2.686 20 5 FFBDMM O=C(Cn1cc([N+](=O)[O-])cn1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536045398 540543279 /nfs/dbraw/zinc/54/32/79/540543279.db2.gz JHZNFQYLYZOGQQ-UHFFFAOYSA-N -1 1 352.763 2.535 20 5 FFBDMM C[C@@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272494020 252050809 /nfs/dbraw/zinc/05/08/09/252050809.db2.gz IAKHOYXWKUPYTC-QMMMGPOBSA-N -1 1 356.247 2.770 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000288906988 257236851 /nfs/dbraw/zinc/23/68/51/257236851.db2.gz KCWNHBXADYDVFK-GFCCVEGCSA-N -1 1 358.807 2.647 20 5 FFBDMM O=C([N-]C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000289810427 257300771 /nfs/dbraw/zinc/30/07/71/257300771.db2.gz IVAKGDOHYXKENL-SNVBAGLBSA-N -1 1 374.319 2.517 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000290489494 257335243 /nfs/dbraw/zinc/33/52/43/257335243.db2.gz DQGOBCLXAHTAIK-LBPRGKRZSA-N -1 1 373.369 2.713 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCOC1 ZINC000301762142 258066430 /nfs/dbraw/zinc/06/64/30/258066430.db2.gz DJNZOBKFHYBMOP-ZDUSSCGKSA-N -1 1 363.395 2.596 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000330973473 258174614 /nfs/dbraw/zinc/17/46/14/258174614.db2.gz GENFRLYNKUMYSU-LBPRGKRZSA-N -1 1 362.835 2.732 20 5 FFBDMM O=C(Nc1cccc(I)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000042351272 506621583 /nfs/dbraw/zinc/62/15/83/506621583.db2.gz RWMIWQIPERQNKF-UHFFFAOYSA-N -1 1 357.107 2.780 20 5 FFBDMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067070765 506746517 /nfs/dbraw/zinc/74/65/17/506746517.db2.gz RAUPKUILQFCORM-UHFFFAOYSA-N -1 1 353.791 2.767 20 5 FFBDMM Cc1sc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1[N+](=O)[O-] ZINC000067079243 506749347 /nfs/dbraw/zinc/74/93/47/506749347.db2.gz PZRLVUOBPXHSBY-UHFFFAOYSA-N -1 1 353.429 2.526 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000011443533 506776206 /nfs/dbraw/zinc/77/62/06/506776206.db2.gz XOASALWNZPBUCN-JTQLQIEISA-N -1 1 362.411 2.750 20 5 FFBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1[O-] ZINC000046148739 507087187 /nfs/dbraw/zinc/08/71/87/507087187.db2.gz HQEOGMULJRBYMI-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)s1 ZINC000068937998 507367131 /nfs/dbraw/zinc/36/71/31/507367131.db2.gz VACFXQREIJHMIR-JTQLQIEISA-N -1 1 358.372 2.598 20 5 FFBDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000111362879 508093749 /nfs/dbraw/zinc/09/37/49/508093749.db2.gz AFHBZGCLYGBPDA-MRVPVSSYSA-N -1 1 359.404 2.792 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000116376913 508504569 /nfs/dbraw/zinc/50/45/69/508504569.db2.gz IEXJYXSCWYFBQT-UHFFFAOYSA-N -1 1 361.832 2.918 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(OC(F)F)c1 ZINC000122931608 508608897 /nfs/dbraw/zinc/60/88/97/508608897.db2.gz CLOFQEXBOKMMIA-QMMMGPOBSA-N -1 1 353.281 2.788 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000135608763 508631144 /nfs/dbraw/zinc/63/11/44/508631144.db2.gz PIDYAGUUDVPVQQ-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000158133804 508662049 /nfs/dbraw/zinc/66/20/49/508662049.db2.gz RBRUJUBNAVVVGI-ONGXEEELSA-N -1 1 374.415 2.586 20 5 FFBDMM CCCCOCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119488900 508806504 /nfs/dbraw/zinc/80/65/04/508806504.db2.gz UYHDRWQFYTYARD-UHFFFAOYSA-N -1 1 350.824 2.733 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)s1 ZINC000160066181 508933371 /nfs/dbraw/zinc/93/33/71/508933371.db2.gz DKYAJZWHORZFJU-UHFFFAOYSA-N -1 1 362.816 2.667 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)s1 ZINC000173346740 509545724 /nfs/dbraw/zinc/54/57/24/509545724.db2.gz VLARHKQBQIFDTA-UHFFFAOYSA-N -1 1 365.392 2.790 20 5 FFBDMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000193246181 509834944 /nfs/dbraw/zinc/83/49/44/509834944.db2.gz DLQCKWGEURTJBU-UHFFFAOYSA-N -1 1 373.340 2.570 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000193609898 509988519 /nfs/dbraw/zinc/98/85/19/509988519.db2.gz SBJBJCBSUADWBS-JTQLQIEISA-N -1 1 354.322 2.841 20 5 FFBDMM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193751382 510050302 /nfs/dbraw/zinc/05/03/02/510050302.db2.gz JYQNDCREQBZTHK-WFASDCNBSA-N -1 1 357.366 2.593 20 5 FFBDMM Cc1cccc(NC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000187121626 510069847 /nfs/dbraw/zinc/06/98/47/510069847.db2.gz CPHXLVNXWHBCSE-UHFFFAOYSA-N -1 1 356.382 2.721 20 5 FFBDMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131125 510076757 /nfs/dbraw/zinc/07/67/57/510076757.db2.gz OAZULPWOOWSXAM-HUUCEWRRSA-N -1 1 363.414 2.895 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000266694658 510733756 /nfs/dbraw/zinc/73/37/56/510733756.db2.gz CZGRQHCNUCAULF-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000191783206 510828517 /nfs/dbraw/zinc/82/85/17/510828517.db2.gz HVHVASFMARMARJ-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000270616692 510926404 /nfs/dbraw/zinc/92/64/04/510926404.db2.gz JDWUNFJVFAWWGB-GXFFZTMASA-N -1 1 360.407 2.606 20 5 FFBDMM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000270616694 510926883 /nfs/dbraw/zinc/92/68/83/510926883.db2.gz JDWUNFJVFAWWGB-ZWNOBZJWSA-N -1 1 360.407 2.606 20 5 FFBDMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295459296 511411944 /nfs/dbraw/zinc/41/19/44/511411944.db2.gz ZOHAHONDOTYHRI-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000378374676 512727495 /nfs/dbraw/zinc/72/74/95/512727495.db2.gz DWEKVRPDQCEUHC-IUODEOHRSA-N -1 1 368.436 2.712 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000435908176 513713213 /nfs/dbraw/zinc/71/32/13/513713213.db2.gz TUXJHQRGGOWZIL-UHFFFAOYSA-N -1 1 362.289 2.812 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000416491261 513800619 /nfs/dbraw/zinc/80/06/19/513800619.db2.gz XIVNXXLJDJMNJD-BDAKNGLRSA-N -1 1 356.297 2.783 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000431149220 513838468 /nfs/dbraw/zinc/83/84/68/513838468.db2.gz KASOUDQSWPWWKK-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM O=[N+]([O-])c1ccc(O)cc1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000436476249 513865335 /nfs/dbraw/zinc/86/53/35/513865335.db2.gz SEUJWQMHSSSYTM-UHFFFAOYSA-N -1 1 366.346 2.840 20 5 FFBDMM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003998 514385552 /nfs/dbraw/zinc/38/55/52/514385552.db2.gz KWGJQWKFLXWWFD-VIFPVBQESA-N -1 1 370.148 2.866 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2C)cc([N+](=O)[O-])c1 ZINC000438715186 514429989 /nfs/dbraw/zinc/42/99/89/514429989.db2.gz NRVFDUBPSBEPAZ-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1 ZINC000438726275 514431734 /nfs/dbraw/zinc/43/17/34/514431734.db2.gz QAQWVDNASCRORE-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457436 514482520 /nfs/dbraw/zinc/48/25/20/514482520.db2.gz SAXWXAFRSOAGGA-VIFPVBQESA-N -1 1 372.312 2.981 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000475795531 514813641 /nfs/dbraw/zinc/81/36/41/514813641.db2.gz RMEUUURPZQPKSF-UHFFFAOYSA-N -1 1 370.358 2.560 20 5 FFBDMM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C ZINC000480197717 514875292 /nfs/dbraw/zinc/87/52/92/514875292.db2.gz NZJJGYULPZWQSS-JTQLQIEISA-N -1 1 368.415 2.886 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000486017934 515298998 /nfs/dbraw/zinc/29/89/98/515298998.db2.gz QVIIGFLTWRBNGO-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000500100153 515588493 /nfs/dbraw/zinc/58/84/93/515588493.db2.gz CYROJZJTRREDOO-UHFFFAOYSA-N -1 1 356.338 2.693 20 5 FFBDMM O=C(Nc1nc2cc(Br)ccc2[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000464576762 515880339 /nfs/dbraw/zinc/88/03/39/515880339.db2.gz MCTNRRDNZRYRES-UHFFFAOYSA-N -1 1 350.132 2.814 20 5 FFBDMM O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000464576762 515880356 /nfs/dbraw/zinc/88/03/56/515880356.db2.gz MCTNRRDNZRYRES-UHFFFAOYSA-N -1 1 350.132 2.814 20 5 FFBDMM Cc1ccc(OC(F)F)c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000465393578 516141296 /nfs/dbraw/zinc/14/12/96/516141296.db2.gz DTBVSYYBRAUGMF-UHFFFAOYSA-N -1 1 353.281 2.535 20 5 FFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1Cl ZINC000488572005 516263846 /nfs/dbraw/zinc/26/38/46/516263846.db2.gz HXJUSQQOODFRDK-SECBINFHSA-N -1 1 351.746 2.546 20 5 FFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000535656124 516435520 /nfs/dbraw/zinc/43/55/20/516435520.db2.gz UXWRELSJWWDESD-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000556072375 517255942 /nfs/dbraw/zinc/25/59/42/517255942.db2.gz AESVMIHWGWBTLY-UHFFFAOYSA-N -1 1 358.379 2.662 20 5 FFBDMM Cc1ccc(-c2nc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n[n-]2)cc1 ZINC000556072375 517255951 /nfs/dbraw/zinc/25/59/51/517255951.db2.gz AESVMIHWGWBTLY-UHFFFAOYSA-N -1 1 358.379 2.662 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000537653565 517281044 /nfs/dbraw/zinc/28/10/44/517281044.db2.gz NHJGGOCQMRTNNR-UHFFFAOYSA-N -1 1 364.379 2.865 20 5 FFBDMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000538506050 517648247 /nfs/dbraw/zinc/64/82/47/517648247.db2.gz AHFCBPPLFCWIGD-AWEZNQCLSA-N -1 1 360.370 2.625 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000542754395 517718661 /nfs/dbraw/zinc/71/86/61/517718661.db2.gz WMCHWLODZWMZEG-LLVKDONJSA-N -1 1 370.349 2.859 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000522025432 517955979 /nfs/dbraw/zinc/95/59/79/517955979.db2.gz FTMGWPMMYDUPIK-UHFFFAOYSA-N -1 1 366.377 2.867 20 5 FFBDMM Cc1ccc2c(=O)c(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])c[n-]c2n1 ZINC000522025432 517955985 /nfs/dbraw/zinc/95/59/85/517955985.db2.gz FTMGWPMMYDUPIK-UHFFFAOYSA-N -1 1 366.377 2.867 20 5 FFBDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2n1C ZINC000530960854 518071702 /nfs/dbraw/zinc/07/17/02/518071702.db2.gz KZGAQVQBYISXBP-UHFFFAOYSA-N -1 1 360.395 2.899 20 5 FFBDMM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000581506076 518320359 /nfs/dbraw/zinc/32/03/59/518320359.db2.gz PXDLWODAVMTUKQ-XPTSAGLGSA-N -1 1 374.415 2.850 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000569918860 518354391 /nfs/dbraw/zinc/35/43/91/518354391.db2.gz WGYUZDPOBHGEBP-LSDHHAIUSA-N -1 1 361.423 2.852 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000583351101 519199776 /nfs/dbraw/zinc/19/97/76/519199776.db2.gz KBVAKCGJDDRUOI-UHFFFAOYSA-N -1 1 356.350 2.974 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590398318 519214980 /nfs/dbraw/zinc/21/49/80/519214980.db2.gz MCZDLHVXOZCMIB-SNVBAGLBSA-N -1 1 359.386 2.821 20 5 FFBDMM CCOCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000600442768 520268815 /nfs/dbraw/zinc/26/88/15/520268815.db2.gz FPQOAYRNUKFGQH-INIZCTEOSA-N -1 1 371.393 2.862 20 5 FFBDMM CCC[N@@H+](C)CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595382584 520441430 /nfs/dbraw/zinc/44/14/30/520441430.db2.gz XCZWLDJGJBPSPU-UHFFFAOYSA-N -1 1 363.867 2.647 20 5 FFBDMM O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604096211 520448024 /nfs/dbraw/zinc/44/80/24/520448024.db2.gz POOJDVJZMKTSAX-UHFFFAOYSA-N -1 1 351.322 2.823 20 5 FFBDMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609922014 520482881 /nfs/dbraw/zinc/48/28/81/520482881.db2.gz IFRLZCZRVBKSBF-LKFCYVNXSA-N -1 1 365.773 2.855 20 5 FFBDMM Cc1cc(NC[C@H](CC(C)C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968091 520665273 /nfs/dbraw/zinc/66/52/73/520665273.db2.gz YAMDUQUUGDHJOA-HNNXBMFYSA-N -1 1 365.430 2.760 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000598602413 520737331 /nfs/dbraw/zinc/73/73/31/520737331.db2.gz AMOGPHHNOVROBO-ZDUSSCGKSA-N -1 1 368.411 2.779 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610638703 520775661 /nfs/dbraw/zinc/77/56/61/520775661.db2.gz BGJBFZCNXNXWSN-HTQZYQBOSA-N -1 1 373.209 2.508 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] ZINC000598710281 520800140 /nfs/dbraw/zinc/80/01/40/520800140.db2.gz OWPWCEYBNOCXAE-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)cc1 ZINC000610769206 520835160 /nfs/dbraw/zinc/83/51/60/520835160.db2.gz NQPKFIJWOLOTNV-UHFFFAOYSA-N -1 1 372.406 2.904 20 5 FFBDMM COCc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000599182552 521074784 /nfs/dbraw/zinc/07/47/84/521074784.db2.gz MNWWADIVWURHLP-UHFFFAOYSA-N -1 1 372.424 2.958 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)s1 ZINC000599412755 521206500 /nfs/dbraw/zinc/20/65/00/521206500.db2.gz QXRQJHNDHNLVJS-CQSZACIVSA-N -1 1 353.425 2.871 20 5 FFBDMM COc1ccc(OCCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826211864 607451663 /nfs/dbraw/zinc/45/16/63/607451663.db2.gz XRNFCPJPIASGDJ-UHFFFAOYSA-N -1 1 370.369 2.665 20 5 FFBDMM COc1ccc(OCCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826211864 607451664 /nfs/dbraw/zinc/45/16/64/607451664.db2.gz XRNFCPJPIASGDJ-UHFFFAOYSA-N -1 1 370.369 2.665 20 5 FFBDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000825273187 604021953 /nfs/dbraw/zinc/02/19/53/604021953.db2.gz PAZLSCNZNTUKDI-HIFRSBDPSA-N -1 1 373.413 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(Oc2ncccc2-c2nn[n-]n2)c(Br)c1 ZINC000823645568 606432781 /nfs/dbraw/zinc/43/27/81/606432781.db2.gz UBXKEUXKCKZICR-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM CSCCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821969987 606706716 /nfs/dbraw/zinc/70/67/16/606706716.db2.gz ICVICCALJYNPCL-UHFFFAOYSA-N -1 1 357.399 2.819 20 5 FFBDMM CSCCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821969987 606706718 /nfs/dbraw/zinc/70/67/18/606706718.db2.gz ICVICCALJYNPCL-UHFFFAOYSA-N -1 1 357.399 2.819 20 5 FFBDMM CC(C)c1ccccc1OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820197219 606709324 /nfs/dbraw/zinc/70/93/24/606709324.db2.gz HMFCUTUFXYMFSR-UHFFFAOYSA-N -1 1 369.385 2.784 20 5 FFBDMM CC(C)c1ccccc1OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820197219 606709325 /nfs/dbraw/zinc/70/93/25/606709325.db2.gz HMFCUTUFXYMFSR-UHFFFAOYSA-N -1 1 369.385 2.784 20 5 FFBDMM C[C@H]1C[C@H](c2ccccc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820666547 606710456 /nfs/dbraw/zinc/71/04/56/606710456.db2.gz IJBPCDSZGZFOFH-AAEUAGOBSA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@H]1C[C@H](c2ccccc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820666547 606710457 /nfs/dbraw/zinc/71/04/57/606710457.db2.gz IJBPCDSZGZFOFH-AAEUAGOBSA-N -1 1 351.370 2.552 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncccc1Br ZINC000135235000 728736674 /nfs/dbraw/zinc/73/66/74/728736674.db2.gz WKPBBRMFFKPKRL-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccnc1 ZINC000177019714 729126118 /nfs/dbraw/zinc/12/61/18/729126118.db2.gz FKVRSUWEMCITEB-CYBMUJFWSA-N -1 1 367.402 2.847 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000194070355 729498728 /nfs/dbraw/zinc/49/87/28/729498728.db2.gz PWFLTFATYVPWKK-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867847068 731233585 /nfs/dbraw/zinc/23/35/85/731233585.db2.gz UNEXKCLGIPSFTG-NXEZZACHSA-N -1 1 350.318 2.770 20 5 FFBDMM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725825497 734394307 /nfs/dbraw/zinc/39/43/07/734394307.db2.gz OFNKUNIMRYMEEI-UHFFFAOYSA-N -1 1 370.814 2.914 20 5 FFBDMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000742329126 735228602 /nfs/dbraw/zinc/22/86/02/735228602.db2.gz NHDDVPOKOSEDJR-IUCAKERBSA-N -1 1 350.849 2.811 20 5 FFBDMM C/C(=C/C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000752344787 735979186 /nfs/dbraw/zinc/97/91/86/735979186.db2.gz DJOAXJZUOKQONE-KTKRTIGZSA-N -1 1 360.288 2.610 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000754827288 736205808 /nfs/dbraw/zinc/20/58/08/736205808.db2.gz NPRATLVPHXDJGZ-UHFFFAOYSA-N -1 1 362.342 2.925 20 5 FFBDMM CC(C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757725388 736422635 /nfs/dbraw/zinc/42/26/35/736422635.db2.gz WEMSCIQZBRTCLC-UHFFFAOYSA-N -1 1 369.212 2.821 20 5 FFBDMM Cc1cc(N[C@@H]2CCCN3CCSC[C@@H]23)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910386828 737067888 /nfs/dbraw/zinc/06/78/88/737067888.db2.gz PWJQTQAFUUZJHV-DOMZBBRYSA-N -1 1 351.428 2.593 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000769049736 737489843 /nfs/dbraw/zinc/48/98/43/737489843.db2.gz VPWTZADWPMRQMY-MRVPVSSYSA-N -1 1 365.729 2.533 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1([C@H]2CCCCO2)CC1 ZINC000922102381 738091208 /nfs/dbraw/zinc/09/12/08/738091208.db2.gz RRFBRAXNSFYRII-GFCCVEGCSA-N -1 1 360.819 2.628 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000775594616 738104594 /nfs/dbraw/zinc/10/45/94/738104594.db2.gz ISPHFEZPIWYVJU-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)ccc1Cl ZINC000808582167 741240547 /nfs/dbraw/zinc/24/05/47/741240547.db2.gz VLCRZPQIIAZTKW-JTQLQIEISA-N -1 1 358.725 2.867 20 5 FFBDMM CO[C@@H](C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809813153 741346521 /nfs/dbraw/zinc/34/65/21/741346521.db2.gz ANVNWUPECIJGRH-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819496 741348039 /nfs/dbraw/zinc/34/80/39/741348039.db2.gz VUTNAJAZIZMLBL-LBPRGKRZSA-N -1 1 371.242 2.587 20 5 FFBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000809986878 741370424 /nfs/dbraw/zinc/37/04/24/741370424.db2.gz NRWXSCQLBKGTRM-UHFFFAOYSA-N -1 1 374.300 2.898 20 5 FFBDMM CCC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815029391 741886493 /nfs/dbraw/zinc/88/64/93/741886493.db2.gz NYZZXPSHLGJTMC-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000815034041 741887504 /nfs/dbraw/zinc/88/75/04/741887504.db2.gz BJCZUPIAZHDWNC-UHFFFAOYSA-N -1 1 370.789 2.833 20 5 FFBDMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000815055621 741891861 /nfs/dbraw/zinc/89/18/61/741891861.db2.gz GZOZHVAZCGOGCN-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000817145516 742095360 /nfs/dbraw/zinc/09/53/60/742095360.db2.gz IOQPEIAVYGHAGW-IUCAKERBSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2nccn21 ZINC000832420944 745695817 /nfs/dbraw/zinc/69/58/17/745695817.db2.gz WFVVZHWOQYLJED-OIBJUYFYSA-N -1 1 374.781 2.568 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000832580171 745722284 /nfs/dbraw/zinc/72/22/84/745722284.db2.gz MZUVNYNCMWUPRO-UHFFFAOYSA-N -1 1 368.333 2.563 20 5 FFBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC000067524289 845507781 /nfs/dbraw/zinc/50/77/81/845507781.db2.gz PXTGYPAUMIYPBX-UHFFFAOYSA-N -1 1 359.270 2.853 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823620500 946457648 /nfs/dbraw/zinc/45/76/48/946457648.db2.gz MEFIOJUOYNWXQD-NSHDSACASA-N -1 1 371.788 2.817 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000823620500 946457665 /nfs/dbraw/zinc/45/76/65/946457665.db2.gz MEFIOJUOYNWXQD-NSHDSACASA-N -1 1 371.788 2.817 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)cc1F ZINC001211611898 967964832 /nfs/dbraw/zinc/96/48/32/967964832.db2.gz OWDLFBHEBMTFEL-DZGCQCFKSA-N -1 1 374.434 2.914 20 5 FFBDMM C[C@@H](CO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000762899967 988743432 /nfs/dbraw/zinc/74/34/32/988743432.db2.gz PZVBPDMYJOUJFU-RYUDHWBXSA-N -1 1 367.402 2.659 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccnc(C(F)(F)F)c1 ZINC000808527197 994149274 /nfs/dbraw/zinc/14/92/74/994149274.db2.gz AQYHLCAYTWJMPC-UHFFFAOYSA-N -1 1 370.239 2.754 20 5 FFBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000731413650 997901792 /nfs/dbraw/zinc/90/17/92/997901792.db2.gz KNJXWLABOHPPHC-LBPRGKRZSA-N -1 1 370.365 2.807 20 5 FFBDMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1F ZINC000745522837 999917634 /nfs/dbraw/zinc/91/76/34/999917634.db2.gz OXOPATPNPICRAY-UHFFFAOYSA-N -1 1 370.239 2.513 20 5 FFBDMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000788531361 1001822103 /nfs/dbraw/zinc/82/21/03/1001822103.db2.gz UEZRAIONFQRDEJ-BFQNTYOBSA-N -1 1 357.366 2.686 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001189823864 1007294379 /nfs/dbraw/zinc/29/43/79/1007294379.db2.gz YABKCLDENMFMBS-OLZOCXBDSA-N -1 1 372.491 2.942 20 5 FFBDMM O=C(OCCCOc1ccc2c(c1)OCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071137 1019489801 /nfs/dbraw/zinc/48/98/01/1019489801.db2.gz DGVBJUHVNNANOZ-UHFFFAOYSA-N -1 1 361.306 2.655 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CC[C@]45CC[NH2+]C5)cc3c([O-])c1-2 ZINC001218115635 1033003661 /nfs/dbraw/zinc/00/36/61/1033003661.db2.gz OKLOOTOEMRANAM-FXAWDEMLSA-N -1 1 353.374 2.878 20 5 FFBDMM O=c1nc2nc[nH]c2c(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[n-]1 ZINC001159203702 1027309627 /nfs/dbraw/zinc/30/96/27/1027309627.db2.gz ARBRNACTMATWRP-UHFFFAOYSA-N -1 1 367.300 2.911 20 5 FFBDMM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001161135676 1028029324 /nfs/dbraw/zinc/02/93/24/1028029324.db2.gz KDGPBNCSFFIUFT-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM Cc1cc(-c2nnc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)o2)c(C)o1 ZINC000784219175 1030517386 /nfs/dbraw/zinc/51/73/86/1030517386.db2.gz ZMZUACVQTHXRDV-UHFFFAOYSA-N -1 1 359.294 2.917 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@@H](F)C1 ZINC001225660837 1034354710 /nfs/dbraw/zinc/35/47/10/1034354710.db2.gz HJUWWURBNNJNEV-CMPLNLGQSA-N -1 1 371.365 2.812 20 5 FFBDMM C[C@@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660780 1034355080 /nfs/dbraw/zinc/35/50/80/1034355080.db2.gz GKTIPJQSRYNKBC-MNOVXSKESA-N -1 1 353.375 2.862 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001225662463 1034356922 /nfs/dbraw/zinc/35/69/22/1034356922.db2.gz TXIHBNABHMZUFO-ZSBIGDGJSA-N -1 1 365.386 2.720 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cccnc1F ZINC001226308972 1034623827 /nfs/dbraw/zinc/62/38/27/1034623827.db2.gz ARDIZYAPRNNJDQ-QMMMGPOBSA-N -1 1 351.290 2.546 20 5 FFBDMM COC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233499673 1036661669 /nfs/dbraw/zinc/66/16/69/1036661669.db2.gz PMXLTYDCUGQNRS-MRVPVSSYSA-N -1 1 353.640 2.607 20 5 FFBDMM COC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233499673 1036661671 /nfs/dbraw/zinc/66/16/71/1036661671.db2.gz PMXLTYDCUGQNRS-MRVPVSSYSA-N -1 1 353.640 2.607 20 5 FFBDMM CCOC(=O)[C@@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CO1 ZINC001233497823 1036661760 /nfs/dbraw/zinc/66/17/60/1036661760.db2.gz IFZFGDJXPYPALK-OQPBUACISA-N -1 1 369.761 2.614 20 5 FFBDMM CCCOC(=O)[C@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750708 1037167395 /nfs/dbraw/zinc/16/73/95/1037167395.db2.gz NBGHTADEQOLYQY-VIFPVBQESA-N -1 1 374.345 2.784 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1 ZINC001257153066 1038726831 /nfs/dbraw/zinc/72/68/31/1038726831.db2.gz DYIXHVCDXJOKFB-UHFFFAOYSA-N -1 1 371.744 2.933 20 5 FFBDMM COc1cc([O-])c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] ZINC001251779081 1039297216 /nfs/dbraw/zinc/29/72/16/1039297216.db2.gz YDLAQGWJYYURIY-UHFFFAOYSA-N -1 1 370.365 2.689 20 5 FFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1C ZINC001261262511 1041109084 /nfs/dbraw/zinc/10/90/84/1041109084.db2.gz AEBPBVLOVKIEST-UHFFFAOYSA-N -1 1 362.770 2.782 20 5 FFBDMM Cc1ncoc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001213959877 1041118950 /nfs/dbraw/zinc/11/89/50/1041118950.db2.gz FSPVIYYJJZYFOE-UHFFFAOYSA-N -1 1 366.182 2.677 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1=CCOCC1 ZINC001214048536 1041190720 /nfs/dbraw/zinc/19/07/20/1041190720.db2.gz LUDYOGZDSLTDPW-UHFFFAOYSA-N -1 1 374.846 2.899 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)[n-]c1Cl ZINC001538324839 1070407784 /nfs/dbraw/zinc/40/77/84/1070407784.db2.gz VPERJYYCUBRJIS-UHFFFAOYSA-N -1 1 366.761 2.719 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001309785533 1043525672 /nfs/dbraw/zinc/52/56/72/1043525672.db2.gz YIBRHSRBKGDOCH-CYBMUJFWSA-N -1 1 362.835 2.874 20 5 FFBDMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])OC1 ZINC001309805985 1043534968 /nfs/dbraw/zinc/53/49/68/1043534968.db2.gz MJXSSRVTQMNYFM-NSHDSACASA-N -1 1 362.835 2.732 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001309905174 1043583902 /nfs/dbraw/zinc/58/39/02/1043583902.db2.gz SRRFGRXYFIWIRL-JTQLQIEISA-N -1 1 356.350 2.955 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)c1 ZINC001321035316 1045517938 /nfs/dbraw/zinc/51/79/38/1045517938.db2.gz SKDCHAZQVIGHLS-QHCPKHFHSA-N -1 1 368.436 2.750 20 5 FFBDMM CC(C)c1nc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n[nH]1 ZINC001300200596 1056089496 /nfs/dbraw/zinc/08/94/96/1056089496.db2.gz KIJAASKFNKPTCF-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CC(C)c1nnc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)[nH]1 ZINC001300200596 1056089510 /nfs/dbraw/zinc/08/95/10/1056089510.db2.gz KIJAASKFNKPTCF-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCOCC1 ZINC001475356373 1061060156 /nfs/dbraw/zinc/06/01/56/1061060156.db2.gz KROACJHRJJSMRD-UHFFFAOYSA-N -1 1 360.407 2.527 20 5 FFBDMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001475437573 1061090156 /nfs/dbraw/zinc/09/01/56/1061090156.db2.gz PMWOZIPEVKEIIF-SNVBAGLBSA-N -1 1 364.851 2.978 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1c(F)cc([O-])cc1F ZINC001475935117 1061314013 /nfs/dbraw/zinc/31/40/13/1061314013.db2.gz KXRCGPZRMJMUGX-UHFFFAOYSA-N -1 1 367.308 2.951 20 5 FFBDMM Cc1cccc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001462993359 1061880847 /nfs/dbraw/zinc/88/08/47/1061880847.db2.gz JUDISVHRFLKIHQ-UHFFFAOYSA-N -1 1 352.387 2.872 20 5 FFBDMM CC(C)OC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC001464427578 1062607847 /nfs/dbraw/zinc/60/78/47/1062607847.db2.gz AYPIPWTXAGVTNC-UHFFFAOYSA-N -1 1 362.835 2.874 20 5 FFBDMM O=C([N-]c1nc2n(n1)CCCC2)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001525347043 1063261867 /nfs/dbraw/zinc/26/18/67/1063261867.db2.gz OVOANJHJVPMRNJ-UHFFFAOYSA-N -1 1 355.276 2.794 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC001471705654 1064764933 /nfs/dbraw/zinc/76/49/33/1064764933.db2.gz CYQWZNPBFCDSIZ-SSDOTTSWSA-N -1 1 356.260 2.600 20 5 FFBDMM Cc1cnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c1=O ZINC001473035787 1065184878 /nfs/dbraw/zinc/18/48/78/1065184878.db2.gz NICFSIDKESYXPW-QMMMGPOBSA-N -1 1 352.347 2.657 20 5 FFBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001475018756 1065675597 /nfs/dbraw/zinc/67/55/97/1065675597.db2.gz CJZHVKCIWWQLEJ-SNVBAGLBSA-N -1 1 350.437 2.852 20 5 FFBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc(F)s1 ZINC001582632763 1079078891 /nfs/dbraw/zinc/07/88/91/1079078891.db2.gz VUTZNQFQACCXMQ-UHFFFAOYSA-N -1 1 368.737 2.881 20 5 FFBDMM O=[N+]([O-])c1c(NCc2ccn(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC001582801710 1079108199 /nfs/dbraw/zinc/10/81/99/1079108199.db2.gz CXQXMABZGXOUQS-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM O=[N+]([O-])c1c(NCc2ccn(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC001582801710 1079108208 /nfs/dbraw/zinc/10/82/08/1079108208.db2.gz CXQXMABZGXOUQS-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM O=[N+]([O-])c1c(OCc2nc(-c3nnn[n-]3)cs2)cccc1C(F)(F)F ZINC001582802412 1079108817 /nfs/dbraw/zinc/10/88/17/1079108817.db2.gz SMVKHVQUSDUOSO-UHFFFAOYSA-N -1 1 372.288 2.829 20 5 FFBDMM O=[N+]([O-])c1c(OCc2nc(-c3nn[n-]n3)cs2)cccc1C(F)(F)F ZINC001582802412 1079108822 /nfs/dbraw/zinc/10/88/22/1079108822.db2.gz SMVKHVQUSDUOSO-UHFFFAOYSA-N -1 1 372.288 2.829 20 5 FFBDMM C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001558418651 1076001075 /nfs/dbraw/zinc/00/10/75/1076001075.db2.gz UJSHCBXTYOHIDV-KRWDZBQOSA-N -1 1 359.407 2.843 20 5 FFBDMM C[C@@H](Cc1cccnc1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001562009645 1076465208 /nfs/dbraw/zinc/46/52/08/1076465208.db2.gz MAMHGINXZXHBCQ-VIFPVBQESA-N -1 1 373.793 2.692 20 5 FFBDMM COc1cnc([C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c1=O ZINC001562146909 1076478286 /nfs/dbraw/zinc/47/82/86/1076478286.db2.gz JUVLQDFYGLPCDN-CYBMUJFWSA-N -1 1 373.369 2.776 20 5 FFBDMM O=C(Nc1cccc(CN=S2(=O)CCCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001587965121 1079901127 /nfs/dbraw/zinc/90/11/27/1079901127.db2.gz UMMHCKNAWOCGBA-UHFFFAOYSA-N -1 1 362.411 2.937 20 5 FFBDMM CC(C)OC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCCC1 ZINC001589737403 1080695178 /nfs/dbraw/zinc/69/51/78/1080695178.db2.gz LVQNMKONTDNEAZ-UHFFFAOYSA-N -1 1 361.406 2.710 20 5 FFBDMM CC(C)OC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCCC1 ZINC001589737403 1080695184 /nfs/dbraw/zinc/69/51/84/1080695184.db2.gz LVQNMKONTDNEAZ-UHFFFAOYSA-N -1 1 361.406 2.710 20 5 FFBDMM CC(C)Oc1cc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])ccn1 ZINC001589750989 1080701957 /nfs/dbraw/zinc/70/19/57/1080701957.db2.gz RMQYDGDUSNQZDC-UHFFFAOYSA-N -1 1 361.387 2.631 20 5 FFBDMM CC(C)Oc1cc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])ccn1 ZINC001589750989 1080701964 /nfs/dbraw/zinc/70/19/64/1080701964.db2.gz RMQYDGDUSNQZDC-UHFFFAOYSA-N -1 1 361.387 2.631 20 5 FFBDMM C[C@](O)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589989942 1080925469 /nfs/dbraw/zinc/92/54/69/1080925469.db2.gz GNLGZLRVMPLDOS-INIZCTEOSA-N -1 1 374.788 2.748 20 5 FFBDMM C[C@](O)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589989942 1080925474 /nfs/dbraw/zinc/92/54/74/1080925474.db2.gz GNLGZLRVMPLDOS-INIZCTEOSA-N -1 1 374.788 2.748 20 5 FFBDMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000007654084 249309493 /nfs/dbraw/zinc/30/94/93/249309493.db2.gz ZMJVMHKCPJZNSS-UHFFFAOYSA-N -1 1 373.394 2.973 20 5 FFBDMM O=C1CCCc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2N1 ZINC000042645525 249391317 /nfs/dbraw/zinc/39/13/17/249391317.db2.gz XJRVWIODSIPNTP-UHFFFAOYSA-N -1 1 361.379 2.670 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)s1 ZINC000068937996 249724566 /nfs/dbraw/zinc/72/45/66/249724566.db2.gz VACFXQREIJHMIR-SNVBAGLBSA-N -1 1 358.372 2.598 20 5 FFBDMM Nc1nc(Sc2nnc([N-]c3ccccc3F)s2)ncc1[N+](=O)[O-] ZINC000301178971 258032213 /nfs/dbraw/zinc/03/22/13/258032213.db2.gz YENMDFFAUABHFI-UHFFFAOYSA-N -1 1 365.375 2.852 20 5 FFBDMM COC(=O)c1cnc([N-]c2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000302763314 258109850 /nfs/dbraw/zinc/10/98/50/258109850.db2.gz KUBVVYUUBLUKBV-UHFFFAOYSA-N -1 1 353.338 2.765 20 5 FFBDMM Cn1c(C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000068427770 507227244 /nfs/dbraw/zinc/22/72/44/507227244.db2.gz AKQXFCBOIGIHTG-UHFFFAOYSA-N -1 1 365.390 2.545 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000154359567 508767566 /nfs/dbraw/zinc/76/75/66/508767566.db2.gz WICGWOHDQIRVFH-NILFDRSVSA-N -1 1 364.810 2.865 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000119486945 508805617 /nfs/dbraw/zinc/80/56/17/508805617.db2.gz UOOZDTURPLOCKR-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM Cc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000146455845 508852142 /nfs/dbraw/zinc/85/21/42/508852142.db2.gz PSLPELCYNLEUSD-UHFFFAOYSA-N -1 1 370.814 2.914 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C[S@](C)=O ZINC000185650286 509285114 /nfs/dbraw/zinc/28/51/14/509285114.db2.gz DCKQLLAJCVBGQO-QHCPKHFHSA-N -1 1 368.436 2.583 20 5 FFBDMM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000185741511 509332852 /nfs/dbraw/zinc/33/28/52/509332852.db2.gz BIKRVNYTOOFPKR-BLLLJJGKSA-N -1 1 357.366 2.606 20 5 FFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000192134039 509363888 /nfs/dbraw/zinc/36/38/88/509363888.db2.gz ZHKYCNURVGXKQV-UHFFFAOYSA-N -1 1 364.704 2.735 20 5 FFBDMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185833144 509377945 /nfs/dbraw/zinc/37/79/45/509377945.db2.gz QPTARADDBSEPGG-VIFPVBQESA-N -1 1 358.379 2.666 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000164713399 509528926 /nfs/dbraw/zinc/52/89/26/509528926.db2.gz KMKZEWZBGUOOGT-UHFFFAOYSA-N -1 1 369.385 2.663 20 5 FFBDMM C[C@H](C(=O)[O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000237626892 509694280 /nfs/dbraw/zinc/69/42/80/509694280.db2.gz IBKKIZWOLDDZHX-BONVTDFDSA-N -1 1 368.349 2.663 20 5 FFBDMM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000173717494 509736553 /nfs/dbraw/zinc/73/65/53/509736553.db2.gz SNEHUWDLVRWSPC-LLVKDONJSA-N -1 1 356.425 2.711 20 5 FFBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000177021179 509822755 /nfs/dbraw/zinc/82/27/55/509822755.db2.gz GIANGIQUGJBADK-GFCCVEGCSA-N -1 1 355.441 2.769 20 5 FFBDMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193600723 509984911 /nfs/dbraw/zinc/98/49/11/509984911.db2.gz DVFFEHXIQXHKTR-OTYXRUKQSA-N -1 1 365.773 2.855 20 5 FFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000193634141 509999718 /nfs/dbraw/zinc/99/97/18/509999718.db2.gz DGJREIGLRJGYHG-SECBINFHSA-N -1 1 351.746 2.546 20 5 FFBDMM COc1cc(CN2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262634170 510343587 /nfs/dbraw/zinc/34/35/87/510343587.db2.gz FVKVQELPGUQTNX-VIFPVBQESA-N -1 1 360.313 2.501 20 5 FFBDMM O=C(NCC1(CCOCc2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000184497372 510357716 /nfs/dbraw/zinc/35/77/16/510357716.db2.gz KKLHMTPUBOFKGA-UHFFFAOYSA-N -1 1 371.393 2.812 20 5 FFBDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194634343 510456725 /nfs/dbraw/zinc/45/67/25/510456725.db2.gz SVSSXVWDDBSRDD-QHCPKHFHSA-N -1 1 368.436 2.583 20 5 FFBDMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188437512 510766561 /nfs/dbraw/zinc/76/65/61/510766561.db2.gz YEWQQPZBXGUVAS-SNVBAGLBSA-N -1 1 355.354 2.556 20 5 FFBDMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)c1C ZINC000282305933 510924699 /nfs/dbraw/zinc/92/46/99/510924699.db2.gz MQYMAUNOOYZYRJ-UHFFFAOYSA-N -1 1 356.379 2.676 20 5 FFBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000294020813 510931493 /nfs/dbraw/zinc/93/14/93/510931493.db2.gz FCIGIFVMKOPUJM-UHFFFAOYSA-N -1 1 352.347 2.732 20 5 FFBDMM CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)nc21 ZINC000294377935 511045395 /nfs/dbraw/zinc/04/53/95/511045395.db2.gz YSIKUUZPEFOFCS-QMMMGPOBSA-N -1 1 364.383 2.615 20 5 FFBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000281813792 511975104 /nfs/dbraw/zinc/97/51/04/511975104.db2.gz QKHGTMRRDWSYJN-YNKQFZHNSA-N -1 1 361.398 2.505 20 5 FFBDMM Cc1nc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000435227160 513537956 /nfs/dbraw/zinc/53/79/56/513537956.db2.gz PHEWZLQTPCOYCC-UHFFFAOYSA-N -1 1 369.468 2.969 20 5 FFBDMM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cccc21 ZINC000447720673 513551230 /nfs/dbraw/zinc/55/12/30/513551230.db2.gz COILOABJSPDFFH-CQSZACIVSA-N -1 1 357.366 2.938 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000435803733 513687476 /nfs/dbraw/zinc/68/74/76/513687476.db2.gz JEUKNHJONBAFSY-VIFPVBQESA-N -1 1 358.807 2.504 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1Br ZINC000448320863 513734845 /nfs/dbraw/zinc/73/48/45/513734845.db2.gz WVZTZKTYUALNSA-UHFFFAOYSA-N -1 1 353.176 2.625 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC000416643926 513885067 /nfs/dbraw/zinc/88/50/67/513885067.db2.gz HYRDUBQMRAAZGS-JTQLQIEISA-N -1 1 350.824 2.588 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1Oc2ccccc2[C@H]1C ZINC000437308490 514137454 /nfs/dbraw/zinc/13/74/54/514137454.db2.gz UXYDDUFWLCQQFO-FTGAXOIBSA-N -1 1 368.436 2.888 20 5 FFBDMM O=C(c1csc(=NC2CC2)[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427591705 514258940 /nfs/dbraw/zinc/25/89/40/514258940.db2.gz ABHUWRIYLQRWON-UHFFFAOYSA-N -1 1 358.423 2.852 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000424267779 514440409 /nfs/dbraw/zinc/44/04/09/514440409.db2.gz YUMGWKHJRYBCAB-ZDUSSCGKSA-N -1 1 360.370 2.864 20 5 FFBDMM O=C([O-])CC[C@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000424267778 514441171 /nfs/dbraw/zinc/44/11/71/514441171.db2.gz YUMGWKHJRYBCAB-CYBMUJFWSA-N -1 1 360.370 2.864 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466567340 514693487 /nfs/dbraw/zinc/69/34/87/514693487.db2.gz NWVQBIWODCMHCQ-CABCVRRESA-N -1 1 374.846 2.732 20 5 FFBDMM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509181769 515059671 /nfs/dbraw/zinc/05/96/71/515059671.db2.gz HOECCXMAVRCHDJ-NSHDSACASA-N -1 1 367.793 2.825 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000467768662 515108687 /nfs/dbraw/zinc/10/86/87/515108687.db2.gz ILNVIJZVJGKUPZ-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)c1 ZINC000490150577 515124077 /nfs/dbraw/zinc/12/40/77/515124077.db2.gz ZDGKKKSMPTVPEH-UHFFFAOYSA-N -1 1 369.337 2.649 20 5 FFBDMM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000467932937 515169749 /nfs/dbraw/zinc/16/97/49/515169749.db2.gz DOAJGQMAIQAJFP-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000499267708 515262099 /nfs/dbraw/zinc/26/20/99/515262099.db2.gz VMSCHEVNVZQRQN-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000499282743 515267218 /nfs/dbraw/zinc/26/72/18/515267218.db2.gz FUXFDGZDGOKVCF-UHFFFAOYSA-N -1 1 364.379 2.735 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000510091065 515430964 /nfs/dbraw/zinc/43/09/64/515430964.db2.gz VJFAXRCKBBJAEK-UHFFFAOYSA-N -1 1 364.379 2.995 20 5 FFBDMM O=C(NCc1ccc(F)cc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507445157 516213389 /nfs/dbraw/zinc/21/33/89/516213389.db2.gz ZMLBJHMRDCXTKB-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000561217118 516458411 /nfs/dbraw/zinc/45/84/11/516458411.db2.gz ABPDARPSRHIJCM-RYUDHWBXSA-N -1 1 351.403 2.593 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1[N+](=O)[O-] ZINC000524182790 516664560 /nfs/dbraw/zinc/66/45/60/516664560.db2.gz NFESVYDJJIOMRW-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000548215985 516832079 /nfs/dbraw/zinc/83/20/79/516832079.db2.gz BUDOEQNTTQRXOW-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525212496 516964477 /nfs/dbraw/zinc/96/44/77/516964477.db2.gz REWWNLXFGZYKQO-AWEZNQCLSA-N -1 1 367.402 2.675 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2C)C(C)C)c([N+](=O)[O-])n1 ZINC000532854808 517170066 /nfs/dbraw/zinc/17/00/66/517170066.db2.gz XMEUYLGAWLGSKA-HNNXBMFYSA-N -1 1 366.443 2.795 20 5 FFBDMM CCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000552293520 517180804 /nfs/dbraw/zinc/18/08/04/517180804.db2.gz YSZOVOSFDNOHDN-UHFFFAOYSA-N -1 1 351.746 2.678 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000533633827 517554190 /nfs/dbraw/zinc/55/41/90/517554190.db2.gz HDHVAENQFQTQDK-UHFFFAOYSA-N -1 1 366.443 2.501 20 5 FFBDMM Cc1sc2[nH]c(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)nc(=O)c2c1C ZINC000546950363 517932610 /nfs/dbraw/zinc/93/26/10/517932610.db2.gz MFWYFGXBBBMFPV-UHFFFAOYSA-N -1 1 372.366 2.891 20 5 FFBDMM NC(=O)c1ccnc([N-]c2cnn(Cc3ccc(Cl)cc3)c2)c1[N+](=O)[O-] ZINC000564568371 518506735 /nfs/dbraw/zinc/50/67/35/518506735.db2.gz PWNQMBZCFPMBKG-UHFFFAOYSA-N -1 1 372.772 2.731 20 5 FFBDMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000579133295 518537946 /nfs/dbraw/zinc/53/79/46/518537946.db2.gz JAMLMYPDROAKOC-IBGZPJMESA-N -1 1 366.377 2.699 20 5 FFBDMM CN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000567978952 518810841 /nfs/dbraw/zinc/81/08/41/518810841.db2.gz XVVXEGWLOAPIPY-MRXNPFEDSA-N -1 1 355.394 2.656 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000583117599 519082979 /nfs/dbraw/zinc/08/29/79/519082979.db2.gz WPAICPTXFSUXGK-UHFFFAOYSA-N -1 1 355.803 2.554 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000590398590 519214735 /nfs/dbraw/zinc/21/47/35/519214735.db2.gz QQOHZVNJRZNDNE-UHFFFAOYSA-N -1 1 373.291 2.791 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)cc1[N+](=O)[O-] ZINC000580551474 519236212 /nfs/dbraw/zinc/23/62/12/519236212.db2.gz OWUNKFTZTLKNLH-UHFFFAOYSA-N -1 1 360.342 2.927 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000574980963 519435701 /nfs/dbraw/zinc/43/57/01/519435701.db2.gz RXHBYLWVTQBYRT-JKSUJKDBSA-N -1 1 369.402 2.977 20 5 FFBDMM CC(C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609030068 520181225 /nfs/dbraw/zinc/18/12/25/520181225.db2.gz CRUIBIRQMGLDAD-UHFFFAOYSA-N -1 1 351.222 2.682 20 5 FFBDMM COCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000600664909 520384139 /nfs/dbraw/zinc/38/41/39/520384139.db2.gz JNEFQWUEHVZDKL-UHFFFAOYSA-N -1 1 366.395 2.859 20 5 FFBDMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610139943 520557639 /nfs/dbraw/zinc/55/76/39/520557639.db2.gz YUWMJSDEUCMZSQ-QPUJVOFHSA-N -1 1 351.721 2.774 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598500542 520659116 /nfs/dbraw/zinc/65/91/16/520659116.db2.gz BUWPTBCFWIWQEX-UHFFFAOYSA-N -1 1 367.361 2.776 20 5 FFBDMM COCCOCc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1F ZINC000596607407 521164671 /nfs/dbraw/zinc/16/46/71/521164671.db2.gz RNNPRVSMRQSPCW-UHFFFAOYSA-N -1 1 362.317 2.942 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000593748796 521191264 /nfs/dbraw/zinc/19/12/64/521191264.db2.gz UWLGPOWCQKCVIM-OCCSQVGLSA-N -1 1 359.386 2.591 20 5 FFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818075568 597077493 /nfs/dbraw/zinc/07/74/93/597077493.db2.gz AVWFDTTVBNQUDV-NWDGAFQWSA-N -1 1 360.370 2.893 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC(=O)[O-])Cc1ccccc1 ZINC000832905707 600992218 /nfs/dbraw/zinc/99/22/18/600992218.db2.gz PPKTXFZKQXVZFF-UHFFFAOYSA-N -1 1 371.393 2.819 20 5 FFBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694052 604675082 /nfs/dbraw/zinc/67/50/82/604675082.db2.gz HFZUTTOFJOMTIM-OAHLLOKOSA-N -1 1 370.283 2.975 20 5 FFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000819984424 606710607 /nfs/dbraw/zinc/71/06/07/606710607.db2.gz VTFOWLQYYLSIBS-UHFFFAOYSA-N -1 1 357.349 2.699 20 5 FFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000819984424 606710609 /nfs/dbraw/zinc/71/06/09/606710609.db2.gz VTFOWLQYYLSIBS-UHFFFAOYSA-N -1 1 357.349 2.699 20 5 FFBDMM Cc1cc(C)cc(C[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822196494 606714129 /nfs/dbraw/zinc/71/41/29/606714129.db2.gz LGVGKWHMIFIDRR-LBPRGKRZSA-N -1 1 353.386 2.830 20 5 FFBDMM Cc1cc(C)cc(C[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822196494 606714131 /nfs/dbraw/zinc/71/41/31/606714131.db2.gz LGVGKWHMIFIDRR-LBPRGKRZSA-N -1 1 353.386 2.830 20 5 FFBDMM CN(Cc1cc2ccccc2o1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821608405 606715251 /nfs/dbraw/zinc/71/52/51/606715251.db2.gz FYDOPHAEYRXYOF-UHFFFAOYSA-N -1 1 351.326 2.553 20 5 FFBDMM CN(Cc1cc2ccccc2o1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821608405 606715252 /nfs/dbraw/zinc/71/52/52/606715252.db2.gz FYDOPHAEYRXYOF-UHFFFAOYSA-N -1 1 351.326 2.553 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCCC2)cc1 ZINC000823624965 607163463 /nfs/dbraw/zinc/16/34/63/607163463.db2.gz MTAQDZOJVZUXQA-UHFFFAOYSA-N -1 1 352.358 2.514 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCCC2)cc1 ZINC000823624965 607163464 /nfs/dbraw/zinc/16/34/64/607163464.db2.gz MTAQDZOJVZUXQA-UHFFFAOYSA-N -1 1 352.358 2.514 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000745942670 735453040 /nfs/dbraw/zinc/45/30/40/735453040.db2.gz PPKJQEJDWNIDNV-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116362277 728571228 /nfs/dbraw/zinc/57/12/28/728571228.db2.gz KOYFBKGMXWSRIF-PRHODGIISA-N -1 1 372.324 2.847 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC1CCC1 ZINC000123045397 728654453 /nfs/dbraw/zinc/65/44/53/728654453.db2.gz ZDQUKNBNSWIBDK-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000123172046 728656110 /nfs/dbraw/zinc/65/61/10/728656110.db2.gz XQTXSNOVUVXTPM-CQSZACIVSA-N -1 1 370.814 2.650 20 5 FFBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000132279920 728724118 /nfs/dbraw/zinc/72/41/18/728724118.db2.gz YCDITXSJHRGQNH-WCBMZHEXSA-N -1 1 363.233 2.824 20 5 FFBDMM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000173625844 729051449 /nfs/dbraw/zinc/05/14/49/729051449.db2.gz ZSMWFKLWCIOBEH-GFCCVEGCSA-N -1 1 368.386 2.788 20 5 FFBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000178613998 729166131 /nfs/dbraw/zinc/16/61/31/729166131.db2.gz TVPFENCBMBHDRQ-SNVBAGLBSA-N -1 1 370.814 2.780 20 5 FFBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000192731337 729457470 /nfs/dbraw/zinc/45/74/70/729457470.db2.gz SXVUCOADQSNUNO-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071674 738513458 /nfs/dbraw/zinc/51/34/58/738513458.db2.gz JTIUZPNFCNCENZ-WCQYABFASA-N -1 1 350.371 2.637 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000882757919 733287933 /nfs/dbraw/zinc/28/79/33/733287933.db2.gz SLJFPZQUSHWGKN-CMPLNLGQSA-N -1 1 362.835 2.732 20 5 FFBDMM CN1CCC[C@@H]([N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000748283054 735632693 /nfs/dbraw/zinc/63/26/93/735632693.db2.gz OXRFMYJAIJLDDC-MRVPVSSYSA-N -1 1 362.264 2.555 20 5 FFBDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000749150616 735698317 /nfs/dbraw/zinc/69/83/17/735698317.db2.gz BLKWJTFNKXQMMN-UHFFFAOYSA-N -1 1 368.342 2.711 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc2cc(Cl)ccc2[nH]1 ZINC000764221229 737003051 /nfs/dbraw/zinc/00/30/51/737003051.db2.gz MIAOQTJDSUPIJR-SSDOTTSWSA-N -1 1 361.745 2.716 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(Cl)n1 ZINC000767475962 737329715 /nfs/dbraw/zinc/32/97/15/737329715.db2.gz VIDBTUPHPQRLDW-UHFFFAOYSA-N -1 1 363.804 2.823 20 5 FFBDMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000768431737 737422825 /nfs/dbraw/zinc/42/28/25/737422825.db2.gz FSJTXVAIPMZHHL-UHFFFAOYSA-N -1 1 364.354 2.791 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nccs2)c(Cl)cc1Cl ZINC000791423570 739562528 /nfs/dbraw/zinc/56/25/28/739562528.db2.gz SDQRVRJGOAXHLG-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM O=C([N-]C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000810065930 741380047 /nfs/dbraw/zinc/38/00/47/741380047.db2.gz GDCQEFIPFSTFJK-VIFPVBQESA-N -1 1 351.350 2.547 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCS1 ZINC000815026449 741885375 /nfs/dbraw/zinc/88/53/75/741885375.db2.gz RKYCMKOURLMRED-GFCCVEGCSA-N -1 1 368.839 2.951 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000815027932 741885675 /nfs/dbraw/zinc/88/56/75/741885675.db2.gz ZYCWXNOLSKGDPY-CMPLNLGQSA-N -1 1 366.798 2.623 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000815078389 741896968 /nfs/dbraw/zinc/89/69/68/741896968.db2.gz BIJANLAOKCQRPV-LLVKDONJSA-N -1 1 369.226 2.605 20 5 FFBDMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000817145515 742095396 /nfs/dbraw/zinc/09/53/96/742095396.db2.gz IOQPEIAVYGHAGW-DTWKUNHWSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828381292 745060963 /nfs/dbraw/zinc/06/09/63/745060963.db2.gz MRFHYOJAERBBTR-IMTBSYHQSA-N -1 1 354.812 2.560 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000830760257 745425949 /nfs/dbraw/zinc/42/59/49/745425949.db2.gz SZKMRNYSISROQK-SNVBAGLBSA-N -1 1 371.242 2.851 20 5 FFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000831762278 745580332 /nfs/dbraw/zinc/58/03/32/745580332.db2.gz CZWOXXGMHBFZFV-MRVPVSSYSA-N -1 1 371.242 2.995 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2=CCOCC2)c1Cl ZINC000831835448 745591867 /nfs/dbraw/zinc/59/18/67/745591867.db2.gz SWPPDAWBUWJNEP-UHFFFAOYSA-N -1 1 367.210 2.527 20 5 FFBDMM CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC ZINC000832123861 745640481 /nfs/dbraw/zinc/64/04/81/745640481.db2.gz BZYKOVZZHPWWIH-LBPRGKRZSA-N -1 1 371.242 2.995 20 5 FFBDMM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)co1 ZINC000832478617 745705516 /nfs/dbraw/zinc/70/55/16/745705516.db2.gz OVQDAQVIZBONJF-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CS1 ZINC000841558632 747398639 /nfs/dbraw/zinc/39/86/39/747398639.db2.gz JKNRLFHBXCZVER-RNFRBKRXSA-N -1 1 354.812 2.560 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845984392 748373602 /nfs/dbraw/zinc/37/36/02/748373602.db2.gz WSMCWOZEAXEHBF-VXGBXAGGSA-N -1 1 354.762 2.717 20 5 FFBDMM O=C([O-])c1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC001174507981 1013245844 /nfs/dbraw/zinc/24/58/44/1013245844.db2.gz TVGGXRIKEGFZMY-UHFFFAOYSA-N -1 1 371.393 2.911 20 5 FFBDMM CC(C)c1cc([C@@H]2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)[nH]n1 ZINC001591931737 976442690 /nfs/dbraw/zinc/44/26/90/976442690.db2.gz ZRBWYISQYIGBEZ-LLVKDONJSA-N -1 1 359.386 2.919 20 5 FFBDMM C[C@H](c1ccccc1)N1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000910375178 981920508 /nfs/dbraw/zinc/92/05/08/981920508.db2.gz ZJBRSHZWVRTKQB-CYBMUJFWSA-N -1 1 356.382 2.571 20 5 FFBDMM CCOc1cc(CN[C@@](C)(CC(=O)[O-])c2cccnc2)ccc1[N+](=O)[O-] ZINC001597035649 986472407 /nfs/dbraw/zinc/47/24/07/986472407.db2.gz MGDDHTSNNAKMFK-SFHVURJKSA-N -1 1 359.382 2.868 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)[n-]1 ZINC000762306966 988285450 /nfs/dbraw/zinc/28/54/50/988285450.db2.gz AYBMRAJYRUAEFL-UHFFFAOYSA-N -1 1 354.282 2.953 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cn(Cc2ccccc2)nn1 ZINC000073907025 989228345 /nfs/dbraw/zinc/22/83/45/989228345.db2.gz FTKXKPDBXSHUDF-UHFFFAOYSA-N -1 1 359.292 2.765 20 5 FFBDMM C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598500264 992425227 /nfs/dbraw/zinc/42/52/27/992425227.db2.gz OSPSWMKSAJDJRJ-UHFFFAOYSA-N -1 1 358.350 2.696 20 5 FFBDMM CC(C)(CCc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)[N+](=O)[O-] ZINC000812814986 995537620 /nfs/dbraw/zinc/53/76/20/995537620.db2.gz CNLNBYGANFBVTK-UHFFFAOYSA-N -1 1 355.354 2.679 20 5 FFBDMM COc1ccc(OCCOC(=O)c2c([O-])cc(F)cc2F)c([N+](=O)[O-])c1 ZINC000744881822 999882352 /nfs/dbraw/zinc/88/23/52/999882352.db2.gz YQCPLECHECMIEJ-UHFFFAOYSA-N -1 1 369.276 2.823 20 5 FFBDMM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001188327154 1006514155 /nfs/dbraw/zinc/51/41/55/1006514155.db2.gz AWZOKTBFHNACTP-UHFFFAOYSA-N -1 1 372.349 2.669 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)c2c[n-]nc2Cl)cc1F ZINC001190098247 1007448870 /nfs/dbraw/zinc/44/88/70/1007448870.db2.gz KZOPEMIEPYKYDY-UHFFFAOYSA-N -1 1 356.118 2.532 20 5 FFBDMM C[C@@H]1CN(CCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000818322956 1007901680 /nfs/dbraw/zinc/90/16/80/1007901680.db2.gz UAKXNXVHHNFTEA-KMVAXQJASA-N -1 1 363.414 2.604 20 5 FFBDMM CCCc1[nH]nc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000796259695 1011544835 /nfs/dbraw/zinc/54/48/35/1011544835.db2.gz AMNLYCCEFMDBNW-UHFFFAOYSA-N -1 1 361.354 2.578 20 5 FFBDMM O=C(OCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074616 1019578712 /nfs/dbraw/zinc/57/87/12/1019578712.db2.gz GXYPJDIEQMIIMI-WBMJQRKESA-N -1 1 362.382 2.638 20 5 FFBDMM O=C(Nc1cc([O-])c(F)cc1F)c1cc([N+](=O)[O-])ccc1SCCO ZINC001141833575 1027024198 /nfs/dbraw/zinc/02/41/98/1027024198.db2.gz HVSRGQIBSATCJP-UHFFFAOYSA-N -1 1 370.333 2.915 20 5 FFBDMM CC(C)(C(=O)Nc1cccc([O-])c1Br)n1cc([N+](=O)[O-])cn1 ZINC001158825795 1027149531 /nfs/dbraw/zinc/14/95/31/1027149531.db2.gz WHYRYECOZSNKCV-UHFFFAOYSA-N -1 1 369.175 2.633 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(Br)c2F)no1 ZINC001212893209 1027202045 /nfs/dbraw/zinc/20/20/45/1027202045.db2.gz RMVOUKZBMWQESB-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM COC(=O)[C@@H]([N-]c1cc([N+](=O)[O-])cc2c(Cl)ncnc12)C(F)(F)F ZINC001159882434 1027526730 /nfs/dbraw/zinc/52/67/30/1027526730.db2.gz JRIYVQZNYMNNKT-SECBINFHSA-N -1 1 364.667 2.707 20 5 FFBDMM CCOC(=O)c1nc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n[n-]1 ZINC001163696405 1029030295 /nfs/dbraw/zinc/03/02/95/1029030295.db2.gz OKPQLMDOMDUYTN-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1nnc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])[n-]1 ZINC001163696405 1029030309 /nfs/dbraw/zinc/03/03/09/1029030309.db2.gz OKPQLMDOMDUYTN-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001163696405 1029030323 /nfs/dbraw/zinc/03/03/23/1029030323.db2.gz OKPQLMDOMDUYTN-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784213781 1030512887 /nfs/dbraw/zinc/51/28/87/1030512887.db2.gz HIDPPKQEMVFEDV-ZDUSSCGKSA-N -1 1 372.377 2.894 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CC3(CCN3C(=O)OC(C)(C)C)C2)n1 ZINC001231261049 1037516886 /nfs/dbraw/zinc/51/68/86/1037516886.db2.gz XTRURMDIMVIKFZ-UHFFFAOYSA-N -1 1 365.386 2.925 20 5 FFBDMM C[C@@H](COc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001208470925 1038338641 /nfs/dbraw/zinc/33/86/41/1038338641.db2.gz PZBGUGQTLVFALO-JTQLQIEISA-N -1 1 372.349 2.619 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)cc1F ZINC001309553273 1043432042 /nfs/dbraw/zinc/43/20/42/1043432042.db2.gz GOWNPSNRICZEHM-MGPLVRAMSA-N -1 1 366.370 2.843 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001326620168 1047001923 /nfs/dbraw/zinc/00/19/23/1047001923.db2.gz HIBLPBIJGXEEHY-GFCCVEGCSA-N -1 1 372.337 2.623 20 5 FFBDMM Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001307190869 1052264386 /nfs/dbraw/zinc/26/43/86/1052264386.db2.gz ZRKZGUITJFNANW-UHFFFAOYSA-N -1 1 362.817 2.979 20 5 FFBDMM CNc1nccc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC001543493900 1071487368 /nfs/dbraw/zinc/48/73/68/1071487368.db2.gz RVSNSUYZPKETAF-UHFFFAOYSA-N -1 1 356.367 2.802 20 5 FFBDMM Cc1cc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ncc1[N+](=O)[O-] ZINC001458548062 1060620549 /nfs/dbraw/zinc/62/05/49/1060620549.db2.gz MQFBNELDMWOICA-UHFFFAOYSA-N -1 1 362.817 2.979 20 5 FFBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001521937936 1061288164 /nfs/dbraw/zinc/28/81/64/1061288164.db2.gz MYYVYKJISINFMT-AWEZNQCLSA-N -1 1 372.432 2.996 20 5 FFBDMM COCC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001464432919 1062609113 /nfs/dbraw/zinc/60/91/13/1062609113.db2.gz FEAZTFUUYSVVNY-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM CC(C)Oc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC001464499984 1062649704 /nfs/dbraw/zinc/64/97/04/1062649704.db2.gz DHVMLCYSQQRNSC-GFCCVEGCSA-N -1 1 365.411 2.817 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001464726147 1062785890 /nfs/dbraw/zinc/78/58/90/1062785890.db2.gz VKBIJSAZVILPTF-CQSZACIVSA-N -1 1 372.834 2.657 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC001532456650 1063075694 /nfs/dbraw/zinc/07/56/94/1063075694.db2.gz ZVIFDROLBPXWNQ-UHFFFAOYSA-N -1 1 372.259 2.766 20 5 FFBDMM COc1cnc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3C)CCCC2)[n-]c1=O ZINC001472111560 1064939129 /nfs/dbraw/zinc/93/91/29/1064939129.db2.gz WQFYACSNOMVZRS-UHFFFAOYSA-N -1 1 372.381 2.607 20 5 FFBDMM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472608449 1065110381 /nfs/dbraw/zinc/11/03/81/1065110381.db2.gz DTMIEVQNSPKVHL-UHFFFAOYSA-N -1 1 358.329 2.597 20 5 FFBDMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccccc1[N+](=O)[O-] ZINC001580310587 1078785266 /nfs/dbraw/zinc/78/52/66/1078785266.db2.gz AFVAKPJGBOUSIL-MRVPVSSYSA-N -1 1 374.744 2.741 20 5 FFBDMM CSc1ncc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001557800244 1075893700 /nfs/dbraw/zinc/89/37/00/1075893700.db2.gz BVZLUZZJCQGIQJ-UHFFFAOYSA-N -1 1 372.765 2.535 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nccs2)c1Cl ZINC001561130564 1076336952 /nfs/dbraw/zinc/33/69/52/1076336952.db2.gz ZQBPAJGUSKEDGX-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM CC(C)(NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc([N+](=O)[O-])cc1 ZINC001566242291 1076937531 /nfs/dbraw/zinc/93/75/31/1076937531.db2.gz ACTKRSJTDOBQEJ-UHFFFAOYSA-N -1 1 357.395 2.591 20 5 FFBDMM C[C@@H]1C[C@@H](CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188979 1081079565 /nfs/dbraw/zinc/07/95/65/1081079565.db2.gz IRAGLSXLGHQHHX-ILWJIGKKSA-N -1 1 352.420 2.842 20 5 FFBDMM C[C@@H]1C[C@@H](CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188979 1081079569 /nfs/dbraw/zinc/07/95/69/1081079569.db2.gz IRAGLSXLGHQHHX-ILWJIGKKSA-N -1 1 352.420 2.842 20 5 FFBDMM CC1CCC2(CC1)OC[C@H](CNc1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)O2 ZINC001590242723 1081116669 /nfs/dbraw/zinc/11/66/69/1081116669.db2.gz WZFZCXCPGYVYQI-XKZABGERSA-N -1 1 374.401 2.509 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000272495790 252053548 /nfs/dbraw/zinc/05/35/48/252053548.db2.gz SUTVARUOBIRUSM-UHFFFAOYSA-N -1 1 360.342 2.927 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccon1 ZINC000301483971 258051861 /nfs/dbraw/zinc/05/18/61/258051861.db2.gz UXWICWRSWQOSLI-UHFFFAOYSA-N -1 1 374.378 2.996 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)s1 ZINC000066333571 506482264 /nfs/dbraw/zinc/48/22/64/506482264.db2.gz KRHNLLIPGICMSG-UHFFFAOYSA-N -1 1 356.400 2.806 20 5 FFBDMM CC(C)n1c(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000066639462 506590276 /nfs/dbraw/zinc/59/02/76/506590276.db2.gz WCSUGHAKOCYOJY-UHFFFAOYSA-N -1 1 367.456 2.838 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000055615388 506798529 /nfs/dbraw/zinc/79/85/29/506798529.db2.gz PQXXQZZKMRUIOT-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000059240470 507495267 /nfs/dbraw/zinc/49/52/67/507495267.db2.gz PAKDJLRBIIXSJZ-UHFFFAOYSA-N -1 1 351.344 2.868 20 5 FFBDMM CC[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000072522102 507802486 /nfs/dbraw/zinc/80/24/86/507802486.db2.gz ZAIYXLFAFQCOFZ-GFCCVEGCSA-N -1 1 365.411 2.578 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3)[nH]n2)c1 ZINC000153192018 508557037 /nfs/dbraw/zinc/55/70/37/508557037.db2.gz GAYJDZMLRMYSKL-UHFFFAOYSA-N -1 1 362.342 2.925 20 5 FFBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OCC2CC2)c1 ZINC000185824933 509373230 /nfs/dbraw/zinc/37/32/30/509373230.db2.gz QOUAOGJNENBNNH-UHFFFAOYSA-N -1 1 357.366 2.723 20 5 FFBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC2)n1 ZINC000173462275 509616697 /nfs/dbraw/zinc/61/66/97/509616697.db2.gz VINQHXBWDIOISB-NSHDSACASA-N -1 1 359.454 2.851 20 5 FFBDMM Cc1cc(Br)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193572706 509971044 /nfs/dbraw/zinc/97/10/44/509971044.db2.gz KMKNDDYRECMBPZ-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187154528 510090794 /nfs/dbraw/zinc/09/07/94/510090794.db2.gz PMVRSQUKLDAMKK-PBHICJAKSA-N -1 1 371.393 2.902 20 5 FFBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000188091265 510589170 /nfs/dbraw/zinc/58/91/70/510589170.db2.gz QFEJTCBDAZXIRH-UHFFFAOYSA-N -1 1 368.802 2.625 20 5 FFBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]nc1-c1ccncc1 ZINC000185045797 510653682 /nfs/dbraw/zinc/65/36/82/510653682.db2.gz IXHPETSABAYXJZ-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM CCOC1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000188296138 510695930 /nfs/dbraw/zinc/69/59/30/510695930.db2.gz ILVXAXBVTXTCPX-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM CC(C)c1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270612274 510923711 /nfs/dbraw/zinc/92/37/11/510923711.db2.gz YNFOLCGXBFWJJI-QMMMGPOBSA-N -1 1 373.822 2.529 20 5 FFBDMM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000272039248 511410122 /nfs/dbraw/zinc/41/01/22/511410122.db2.gz KXLSKMOXMKCUNZ-VXGBXAGGSA-N -1 1 360.407 2.606 20 5 FFBDMM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000272179759 511455893 /nfs/dbraw/zinc/45/58/93/511455893.db2.gz LHFXWBOOWFJFCI-UWVGGRQHSA-N -1 1 356.247 2.505 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000292142147 511482628 /nfs/dbraw/zinc/48/26/28/511482628.db2.gz ZALPFJKRDMXNSM-UHFFFAOYSA-N -1 1 353.400 2.631 20 5 FFBDMM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280734244 511581736 /nfs/dbraw/zinc/58/17/36/511581736.db2.gz JAZVZCHPURHKJD-ZDUSSCGKSA-N -1 1 361.423 2.929 20 5 FFBDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000320692929 511814956 /nfs/dbraw/zinc/81/49/56/511814956.db2.gz GWUABRNZXDLFBF-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000328192365 511886044 /nfs/dbraw/zinc/88/60/44/511886044.db2.gz ZMUBDTUCDQOCDW-NSHDSACASA-N -1 1 364.379 2.974 20 5 FFBDMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274872627 511971301 /nfs/dbraw/zinc/97/13/01/511971301.db2.gz FIYRHIYNGPVNJV-LLVKDONJSA-N -1 1 372.381 2.610 20 5 FFBDMM Cc1nc2cc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000293706423 512057794 /nfs/dbraw/zinc/05/77/94/512057794.db2.gz UFGZXLKACJWYDU-UHFFFAOYSA-N -1 1 367.365 2.618 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(F)F ZINC000451069866 513498095 /nfs/dbraw/zinc/49/80/95/513498095.db2.gz GURYRTMNBRXLHW-ZCFIWIBFSA-N -1 1 373.175 2.679 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1C ZINC000442222367 513684878 /nfs/dbraw/zinc/68/48/78/513684878.db2.gz JYJPGZPSFSHYFN-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416532791 513819794 /nfs/dbraw/zinc/81/97/94/513819794.db2.gz GIDXZMMEPNREFB-LLVKDONJSA-N -1 1 355.441 2.741 20 5 FFBDMM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416532794 513819938 /nfs/dbraw/zinc/81/99/38/513819938.db2.gz GIDXZMMEPNREFB-NSHDSACASA-N -1 1 355.441 2.741 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000437308492 514137698 /nfs/dbraw/zinc/13/76/98/514137698.db2.gz UXYDDUFWLCQQFO-HFBDOXOYSA-N -1 1 368.436 2.888 20 5 FFBDMM O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444982415 514381880 /nfs/dbraw/zinc/38/18/80/514381880.db2.gz SRGIWCQFMLDUSL-HOCLYGCPSA-N -1 1 357.366 2.563 20 5 FFBDMM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444988182 514383700 /nfs/dbraw/zinc/38/37/00/514383700.db2.gz FEEISNOUDYYIDF-HOCLYGCPSA-N -1 1 357.366 2.654 20 5 FFBDMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000445171124 514434745 /nfs/dbraw/zinc/43/47/45/514434745.db2.gz FXSGZGGFDHVZIQ-LBPRGKRZSA-N -1 1 374.397 2.834 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508097015 514665598 /nfs/dbraw/zinc/66/55/98/514665598.db2.gz RYTPSAFWIOPQLL-UHFFFAOYSA-N -1 1 364.370 2.850 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466552834 514689101 /nfs/dbraw/zinc/68/91/01/514689101.db2.gz VKZKXPIEIIKWSY-NSHDSACASA-N -1 1 372.761 2.799 20 5 FFBDMM Cc1c(F)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471132212 514765225 /nfs/dbraw/zinc/76/52/25/514765225.db2.gz VSYWUHZOZPKFAO-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000484802204 514799968 /nfs/dbraw/zinc/79/99/68/514799968.db2.gz ISQWGFBFTNRHPQ-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM Cc1sc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000466955500 514839846 /nfs/dbraw/zinc/83/98/46/514839846.db2.gz OUWHQVVXVQXAGF-UHFFFAOYSA-N -1 1 360.344 2.603 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000486568767 515543170 /nfs/dbraw/zinc/54/31/70/515543170.db2.gz WNWLNIOBELEDEU-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000486621918 515567128 /nfs/dbraw/zinc/56/71/28/515567128.db2.gz XYMIYPVGYKXLSC-SECBINFHSA-N -1 1 358.807 2.504 20 5 FFBDMM CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000510595914 515599727 /nfs/dbraw/zinc/59/97/27/515599727.db2.gz HMLJGLDORXCTQT-UHFFFAOYSA-N -1 1 351.746 2.678 20 5 FFBDMM O=C([N-]c1nc2n(n1)CCCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000457156955 515693170 /nfs/dbraw/zinc/69/31/70/515693170.db2.gz RLFKXSQVBXGVCQ-UHFFFAOYSA-N -1 1 355.276 2.794 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccsc3)[nH]n2)c1 ZINC000506804483 515992315 /nfs/dbraw/zinc/99/23/15/515992315.db2.gz GVOHFQVWRXHFMF-UHFFFAOYSA-N -1 1 350.381 2.847 20 5 FFBDMM CC1CCN(c2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])CC1 ZINC000512003367 516112983 /nfs/dbraw/zinc/11/29/83/516112983.db2.gz UQWBFIXJMIJEQF-UHFFFAOYSA-N -1 1 356.382 2.606 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000507642530 516271792 /nfs/dbraw/zinc/27/17/92/516271792.db2.gz CWOZLCCSTSHCHP-UHFFFAOYSA-N -1 1 368.342 2.746 20 5 FFBDMM C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000561217119 516459046 /nfs/dbraw/zinc/45/90/46/516459046.db2.gz ABPDARPSRHIJCM-TXEJJXNPSA-N -1 1 351.403 2.593 20 5 FFBDMM CC(C)(C)OCc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000523889312 516602095 /nfs/dbraw/zinc/60/20/95/516602095.db2.gz OVMVZCQJQZPSME-UHFFFAOYSA-N -1 1 359.382 2.941 20 5 FFBDMM O=C(NCCOc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000518466704 516670530 /nfs/dbraw/zinc/67/05/30/516670530.db2.gz MKDIXLDLYCUYHZ-UHFFFAOYSA-N -1 1 372.164 2.811 20 5 FFBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000536458050 516773454 /nfs/dbraw/zinc/77/34/54/516773454.db2.gz CLILMKRQCRPQQS-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000537496927 517208074 /nfs/dbraw/zinc/20/80/74/517208074.db2.gz VTNJJHYCZTXQLD-UHFFFAOYSA-N -1 1 363.337 2.519 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)NCCc3cccc([N+](=O)[O-])c3)cnc2n1 ZINC000534111070 517746964 /nfs/dbraw/zinc/74/69/64/517746964.db2.gz GZCFNZZQLFPCRU-UHFFFAOYSA-N -1 1 352.350 2.525 20 5 FFBDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCc1cccc([N+](=O)[O-])c1)c2=O ZINC000534111070 517746976 /nfs/dbraw/zinc/74/69/76/517746976.db2.gz GZCFNZZQLFPCRU-UHFFFAOYSA-N -1 1 352.350 2.525 20 5 FFBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC000522362913 518086988 /nfs/dbraw/zinc/08/69/88/518086988.db2.gz GVLVVJXPIACJSR-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000564019336 518270900 /nfs/dbraw/zinc/27/09/00/518270900.db2.gz IFCRXVJHVNFEFY-UHFFFAOYSA-N -1 1 365.411 2.566 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000584497519 518367902 /nfs/dbraw/zinc/36/79/02/518367902.db2.gz ATWGJQIWOFMGBN-MRVPVSSYSA-N -1 1 359.816 2.671 20 5 FFBDMM COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1OC ZINC000588786875 518831962 /nfs/dbraw/zinc/83/19/62/518831962.db2.gz AVXIRFFBTAMCCV-SNVBAGLBSA-N -1 1 361.354 2.512 20 5 FFBDMM CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000568513951 519078029 /nfs/dbraw/zinc/07/80/29/519078029.db2.gz RZYLAPRXAFFSCT-UHFFFAOYSA-N -1 1 355.822 2.900 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598150 519281980 /nfs/dbraw/zinc/28/19/80/519281980.db2.gz PEGPZTAYJMHLJC-UHFFFAOYSA-N -1 1 364.305 2.812 20 5 FFBDMM CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000566510704 519527501 /nfs/dbraw/zinc/52/75/01/519527501.db2.gz YDGOKJITNQFJHO-WCQYABFASA-N -1 1 362.304 2.678 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](Oc3ccccc3)C2)s1 ZINC000594851432 520187682 /nfs/dbraw/zinc/18/76/82/520187682.db2.gz JYQXADLZGCUPSK-UMSPYCQHSA-N -1 1 354.409 2.545 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826498845 607451315 /nfs/dbraw/zinc/45/13/15/607451315.db2.gz LUVIWNNIRPLCRZ-AWEZNQCLSA-N -1 1 360.761 2.574 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826498845 607451317 /nfs/dbraw/zinc/45/13/17/607451317.db2.gz LUVIWNNIRPLCRZ-AWEZNQCLSA-N -1 1 360.761 2.574 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826498900 607451347 /nfs/dbraw/zinc/45/13/47/607451347.db2.gz NTVSBFAIOCRKGM-UHFFFAOYSA-N -1 1 366.381 2.865 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)cc1-c1nn[n-]n1 ZINC000826498900 607451348 /nfs/dbraw/zinc/45/13/48/607451348.db2.gz NTVSBFAIOCRKGM-UHFFFAOYSA-N -1 1 366.381 2.865 20 5 FFBDMM O=[N+]([O-])c1ccc(N[C@H](CCCO)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826499198 607453030 /nfs/dbraw/zinc/45/30/30/607453030.db2.gz ZLGCEDDLEUWTQT-OAHLLOKOSA-N -1 1 354.370 2.701 20 5 FFBDMM O=[N+]([O-])c1ccc(N[C@H](CCCO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826499198 607453032 /nfs/dbraw/zinc/45/30/32/607453032.db2.gz ZLGCEDDLEUWTQT-OAHLLOKOSA-N -1 1 354.370 2.701 20 5 FFBDMM C[C@@H]1CN(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000736812175 600942215 /nfs/dbraw/zinc/94/22/15/600942215.db2.gz UGBIDAXIQWMQSC-GHMZBOCLSA-N -1 1 371.821 2.858 20 5 FFBDMM Cc1[nH]c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2c1C ZINC000822009737 606703423 /nfs/dbraw/zinc/70/34/23/606703423.db2.gz DBBFWTSBWQCHDF-UHFFFAOYSA-N -1 1 364.369 2.880 20 5 FFBDMM Cc1[nH]c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2c1C ZINC000822009737 606703424 /nfs/dbraw/zinc/70/34/24/606703424.db2.gz DBBFWTSBWQCHDF-UHFFFAOYSA-N -1 1 364.369 2.880 20 5 FFBDMM Cc1nc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2s1 ZINC000822464043 607163354 /nfs/dbraw/zinc/16/33/54/607163354.db2.gz ZDOZBVTWYVDFSM-UHFFFAOYSA-N -1 1 354.355 2.832 20 5 FFBDMM Cc1nc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2s1 ZINC000822464043 607163355 /nfs/dbraw/zinc/16/33/55/607163355.db2.gz ZDOZBVTWYVDFSM-UHFFFAOYSA-N -1 1 354.355 2.832 20 5 FFBDMM Cc1ccc(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822236015 607164846 /nfs/dbraw/zinc/16/48/46/607164846.db2.gz GRERYXJZQLDOOT-UHFFFAOYSA-N -1 1 353.386 2.831 20 5 FFBDMM Cc1ccc(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822236015 607164847 /nfs/dbraw/zinc/16/48/47/607164847.db2.gz GRERYXJZQLDOOT-UHFFFAOYSA-N -1 1 353.386 2.831 20 5 FFBDMM CC(C)(C)c1nc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC000824141974 608230172 /nfs/dbraw/zinc/23/01/72/608230172.db2.gz PVRJAFVRWVTWJA-UHFFFAOYSA-N -1 1 374.430 2.579 20 5 FFBDMM CC(C)(C)c1nc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC000824141974 608230173 /nfs/dbraw/zinc/23/01/73/608230173.db2.gz PVRJAFVRWVTWJA-UHFFFAOYSA-N -1 1 374.430 2.579 20 5 FFBDMM COc1cc(C)cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000157098539 728865669 /nfs/dbraw/zinc/86/56/69/728865669.db2.gz JVIBABAATYFFQJ-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000159417719 728906721 /nfs/dbraw/zinc/90/67/21/728906721.db2.gz HEVZHDRYXKHUNG-AWEZNQCLSA-N -1 1 370.814 2.569 20 5 FFBDMM O=C(c1ccc(Cl)cc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007802826 727798669 /nfs/dbraw/zinc/79/86/69/727798669.db2.gz DDOGIHDQKSKODY-UHFFFAOYSA-N -1 1 361.785 2.916 20 5 FFBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000175431046 729095816 /nfs/dbraw/zinc/09/58/16/729095816.db2.gz CGBKSUWHQPPPJE-AWEZNQCLSA-N -1 1 374.434 2.998 20 5 FFBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000178614385 729166183 /nfs/dbraw/zinc/16/61/83/729166183.db2.gz ZDIVBAWXUFAZNA-SNVBAGLBSA-N -1 1 370.814 2.780 20 5 FFBDMM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194346358 729507706 /nfs/dbraw/zinc/50/77/06/729507706.db2.gz NPHBPLXWPWXNTG-WCQYABFASA-N -1 1 360.407 2.608 20 5 FFBDMM Cc1nc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc1C ZINC000780075238 738514619 /nfs/dbraw/zinc/51/46/19/738514619.db2.gz JKKXWZBIRGGTLH-QMMMGPOBSA-N -1 1 365.367 2.558 20 5 FFBDMM CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC=CC1 ZINC000702182235 734356110 /nfs/dbraw/zinc/35/61/10/734356110.db2.gz FNODNDSNFHEYHD-UHFFFAOYSA-N -1 1 361.217 2.744 20 5 FFBDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2C1 ZINC000783867295 738844091 /nfs/dbraw/zinc/84/40/91/738844091.db2.gz MTTIHIJHUQGMTC-INIZCTEOSA-N -1 1 362.407 2.818 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000742648315 735246779 /nfs/dbraw/zinc/24/67/79/735246779.db2.gz NMPNNUCBGQNLEH-YPMHNXCESA-N -1 1 354.334 2.707 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(F)c1 ZINC000749143593 735697774 /nfs/dbraw/zinc/69/77/74/735697774.db2.gz KJEYRBLEVUQOOI-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000755002088 736225132 /nfs/dbraw/zinc/22/51/32/736225132.db2.gz PFDJDWGVPJLHKY-UHFFFAOYSA-N -1 1 366.355 2.503 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)S2 ZINC000907659211 736653239 /nfs/dbraw/zinc/65/32/39/736653239.db2.gz JXIFBHOCPOYWPT-PBINXNQUSA-N -1 1 362.860 2.953 20 5 FFBDMM CC(C)(C)c1cnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000761887065 736768609 /nfs/dbraw/zinc/76/86/09/736768609.db2.gz KCPFODRTKBQVRM-UHFFFAOYSA-N -1 1 363.395 2.929 20 5 FFBDMM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000765220726 737098445 /nfs/dbraw/zinc/09/84/45/737098445.db2.gz CJGFMTBEWLGAGO-QWHCGFSZSA-N -1 1 360.407 2.606 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1F ZINC000769046968 737489345 /nfs/dbraw/zinc/48/93/45/737489345.db2.gz NBTMCUJLIAKVCO-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(O)cc2)cc1Cl ZINC000809818230 741347544 /nfs/dbraw/zinc/34/75/44/741347544.db2.gz FPEGQUKHIPAQHW-UHFFFAOYSA-N -1 1 360.750 2.571 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000921849898 738055485 /nfs/dbraw/zinc/05/54/85/738055485.db2.gz XDCNTUYCEITQOZ-LRDDRELGSA-N -1 1 372.418 2.526 20 5 FFBDMM CSc1cccc(F)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796003467 740089028 /nfs/dbraw/zinc/08/90/28/740089028.db2.gz BBVAMCBLUSQULA-UHFFFAOYSA-N -1 1 362.429 2.996 20 5 FFBDMM O=C(CSc1nc2ccccc2o1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000797387604 740241915 /nfs/dbraw/zinc/24/19/15/740241915.db2.gz JTDSPIJPQSZJGJ-UHFFFAOYSA-N -1 1 357.347 2.785 20 5 FFBDMM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798175705 740309857 /nfs/dbraw/zinc/30/98/57/740309857.db2.gz IZEYRVZGAJNPOT-UHFFFAOYSA-N -1 1 355.148 2.863 20 5 FFBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805123144 740941757 /nfs/dbraw/zinc/94/17/57/740941757.db2.gz MGWFGNYNRJSQIV-UHFFFAOYSA-N -1 1 364.851 2.979 20 5 FFBDMM CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809805032 741345089 /nfs/dbraw/zinc/34/50/89/741345089.db2.gz OCXDWCSXSDEKFM-UHFFFAOYSA-N -1 1 368.814 2.872 20 5 FFBDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809843619 741352884 /nfs/dbraw/zinc/35/28/84/741352884.db2.gz PFHXKPWZTGMEOQ-SNVBAGLBSA-N -1 1 354.812 2.560 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000809849341 741354495 /nfs/dbraw/zinc/35/44/95/741354495.db2.gz SYQILSMAHBTWKK-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000815032194 741886939 /nfs/dbraw/zinc/88/69/39/741886939.db2.gz PIDWBVUMOZJNFR-VIFPVBQESA-N -1 1 366.798 2.625 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000823648369 742955397 /nfs/dbraw/zinc/95/53/97/742955397.db2.gz VUKDTUAONNPLEF-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000823648369 742955403 /nfs/dbraw/zinc/95/54/03/742955403.db2.gz VUKDTUAONNPLEF-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000831762279 745580358 /nfs/dbraw/zinc/58/03/58/745580358.db2.gz CZWOXXGMHBFZFV-QMMMGPOBSA-N -1 1 371.242 2.995 20 5 FFBDMM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832030530 745623407 /nfs/dbraw/zinc/62/34/07/745623407.db2.gz MXAXUGIZLIMKET-SSDOTTSWSA-N -1 1 371.242 2.729 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000832146925 745645434 /nfs/dbraw/zinc/64/54/34/745645434.db2.gz AVFGQRXFPYLXFS-SNVBAGLBSA-N -1 1 357.190 2.596 20 5 FFBDMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841550546 747394344 /nfs/dbraw/zinc/39/43/44/747394344.db2.gz RLQBCVMXQCRZRK-SCZZXKLOSA-N -1 1 369.226 2.747 20 5 FFBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841558816 747398908 /nfs/dbraw/zinc/39/89/08/747398908.db2.gz KJSRHVABMRXDFF-XPTSAGLGSA-N -1 1 362.835 2.730 20 5 FFBDMM Cc1nnc([C@@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848587336 748967245 /nfs/dbraw/zinc/96/72/45/748967245.db2.gz FJELDQNYKNJJQJ-SSDOTTSWSA-N -1 1 358.326 2.604 20 5 FFBDMM C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000382042771 970976582 /nfs/dbraw/zinc/97/65/82/970976582.db2.gz UUXBQRSPWUMLCH-BBRMVZONSA-N -1 1 355.394 2.693 20 5 FFBDMM O=C(COc1cccc([N+](=O)[O-])c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000914909545 988041352 /nfs/dbraw/zinc/04/13/52/988041352.db2.gz SZQVVEMVQZHUAO-UHFFFAOYSA-N -1 1 371.301 2.529 20 5 FFBDMM COc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC001599406782 997322472 /nfs/dbraw/zinc/32/24/72/997322472.db2.gz CJTCPKRILAKYTI-LBPRGKRZSA-N -1 1 352.387 2.689 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000744850311 999879139 /nfs/dbraw/zinc/87/91/39/999879139.db2.gz DOUMISNDHJSCNO-UHFFFAOYSA-N -1 1 358.350 2.701 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1F ZINC000769045682 1000413042 /nfs/dbraw/zinc/41/30/42/1000413042.db2.gz CPDNJGHZTGQXBY-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM COc1ccc(Br)cc1OC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001148781837 1001203346 /nfs/dbraw/zinc/20/33/46/1001203346.db2.gz SJKIFTOGZHJFFJ-UHFFFAOYSA-N -1 1 369.127 2.686 20 5 FFBDMM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001191347882 1003777988 /nfs/dbraw/zinc/77/79/88/1003777988.db2.gz MMIMQSIJCBUEEB-CHWSQXEVSA-N -1 1 358.464 2.696 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)c(F)cc1[N+](=O)[O-] ZINC001192905717 1004316902 /nfs/dbraw/zinc/31/69/02/1004316902.db2.gz QGNBJNJZENUURK-LLVKDONJSA-N -1 1 352.334 2.612 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])s1 ZINC001189079817 1006900320 /nfs/dbraw/zinc/90/03/20/1006900320.db2.gz HXNKQEPBTZZDNN-UHFFFAOYSA-N -1 1 355.441 2.882 20 5 FFBDMM CC(C)OC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001179076223 1009248893 /nfs/dbraw/zinc/24/88/93/1009248893.db2.gz VHOMSVUVMLLSLP-UHFFFAOYSA-N -1 1 364.383 2.614 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)ccnc1-2 ZINC000801703577 1019266661 /nfs/dbraw/zinc/26/66/61/1019266661.db2.gz MJSWJYRLFANMHA-UHFFFAOYSA-N -1 1 365.271 2.521 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000780068657 1019402226 /nfs/dbraw/zinc/40/22/26/1019402226.db2.gz MWQDCRYUOGOULC-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075327 1019595277 /nfs/dbraw/zinc/59/52/77/1019595277.db2.gz KDIZZUXJDRXXRV-LLVKDONJSA-N -1 1 372.333 2.687 20 5 FFBDMM O=C(OCc1nc(Cc2ccccc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076017 1019644414 /nfs/dbraw/zinc/64/44/14/1019644414.db2.gz QUHPFWZILQGBBU-UHFFFAOYSA-N -1 1 355.306 2.631 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4CC[C@]45CC[NH2+]C5)cc3c([O-])c1-2 ZINC001218115643 1033004040 /nfs/dbraw/zinc/00/40/40/1033004040.db2.gz OKLOOTOEMRANAM-YLJYHZDGSA-N -1 1 353.374 2.878 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4C[NH2+]CCC45CC5)cc3c([O-])c1-2 ZINC001218399261 1033138129 /nfs/dbraw/zinc/13/81/29/1033138129.db2.gz MSIHCOROHGACCU-KRWDZBQOSA-N -1 1 353.374 2.878 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4C[NH2+]CCC45CC5)cc3c([O-])c1-2 ZINC001218399262 1033138240 /nfs/dbraw/zinc/13/82/40/1033138240.db2.gz MSIHCOROHGACCU-QGZVFWFLSA-N -1 1 353.374 2.878 20 5 FFBDMM Cc1cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ncc1Br ZINC001212893937 1027208309 /nfs/dbraw/zinc/20/83/09/1027208309.db2.gz GMIMUGTZZYIGKN-UHFFFAOYSA-N -1 1 351.120 2.501 20 5 FFBDMM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2n[n-]c(=S)n2c1 ZINC001161555771 1028228515 /nfs/dbraw/zinc/22/85/15/1028228515.db2.gz BYOCKHVUVNUFMW-UHFFFAOYSA-N -1 1 366.362 2.727 20 5 FFBDMM O=c1cc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)[nH]c(=S)[n-]1 ZINC001225764788 1034399948 /nfs/dbraw/zinc/39/99/48/1034399948.db2.gz HLXIDIOPUQOREI-UHFFFAOYSA-N -1 1 366.374 2.566 20 5 FFBDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143677 1035957688 /nfs/dbraw/zinc/95/76/88/1035957688.db2.gz PDQRKIQVZZIIFE-WDEREUQCSA-N -1 1 368.390 2.505 20 5 FFBDMM O=c1[n-]cnc(O[C@@H]2CCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC001228144602 1035958710 /nfs/dbraw/zinc/95/87/10/1035958710.db2.gz WEIRNMGPOVDZSN-SNVBAGLBSA-N -1 1 352.144 2.919 20 5 FFBDMM O=c1ccc2c(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc([O-])cc2o1 ZINC001229136754 1036516217 /nfs/dbraw/zinc/51/62/17/1036516217.db2.gz ZVURXSGGWSYNSZ-KRWDZBQOSA-N -1 1 371.301 2.624 20 5 FFBDMM Cc1cc([O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC001229750582 1036872001 /nfs/dbraw/zinc/87/20/01/1036872001.db2.gz OBODCKJPSRMOOT-NSHDSACASA-N -1 1 366.370 2.914 20 5 FFBDMM Cc1cc([O-])c(O[C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229754442 1036873881 /nfs/dbraw/zinc/87/38/81/1036873881.db2.gz PTQLERWFIXZDCH-JTQLQIEISA-N -1 1 352.343 2.524 20 5 FFBDMM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223550 1037505351 /nfs/dbraw/zinc/50/53/51/1037505351.db2.gz HBLRNZZMAWEHHM-NWDGAFQWSA-N -1 1 374.353 2.818 20 5 FFBDMM CCOC(=O)c1cnn(-c2ccccn2)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393453 1039519340 /nfs/dbraw/zinc/51/93/40/1039519340.db2.gz AUAGRKJCRWEEJF-UHFFFAOYSA-N -1 1 369.337 2.801 20 5 FFBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC001213447057 1040561992 /nfs/dbraw/zinc/56/19/92/1040561992.db2.gz UMPHFAPPBBBBQX-UHFFFAOYSA-N -1 1 360.313 2.799 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1([C@H]2CCCO2)CCC1 ZINC001214051381 1041195630 /nfs/dbraw/zinc/19/56/30/1041195630.db2.gz UAPVSERXBJKEII-CYBMUJFWSA-N -1 1 360.819 2.628 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[n-]c1Cl ZINC001538324655 1070406436 /nfs/dbraw/zinc/40/64/36/1070406436.db2.gz MVTABABIROZZOB-UHFFFAOYSA-N -1 1 356.697 2.539 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)cc1F ZINC001309553272 1043432320 /nfs/dbraw/zinc/43/23/20/1043432320.db2.gz GOWNPSNRICZEHM-HWPZZCPQSA-N -1 1 366.370 2.843 20 5 FFBDMM Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001294680025 1049793326 /nfs/dbraw/zinc/79/33/26/1049793326.db2.gz VFKDVZUBWMENBV-UHFFFAOYSA-N -1 1 369.377 2.618 20 5 FFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC001302668576 1051165534 /nfs/dbraw/zinc/16/55/34/1051165534.db2.gz WDGGCHWAHIPXET-GFCCVEGCSA-N -1 1 361.354 2.594 20 5 FFBDMM O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([O-])cc1O ZINC001341349143 1051706351 /nfs/dbraw/zinc/70/63/51/1051706351.db2.gz LWUCAPKAXNHDEQ-UHFFFAOYSA-N -1 1 351.698 2.699 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])s1 ZINC001475524184 1053388612 /nfs/dbraw/zinc/38/86/12/1053388612.db2.gz BAWGVGRUDAIIMF-SSDOTTSWSA-N -1 1 359.256 2.827 20 5 FFBDMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001463969832 1062356108 /nfs/dbraw/zinc/35/61/08/1062356108.db2.gz KTCFCZKOSVVVDY-NSHDSACASA-N -1 1 362.423 2.772 20 5 FFBDMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465207304 1063011304 /nfs/dbraw/zinc/01/13/04/1063011304.db2.gz SZASPZTWZRUYDV-UHFFFAOYSA-N -1 1 374.744 2.593 20 5 FFBDMM CON(C[C@@H]1CCCc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001471955895 1064866342 /nfs/dbraw/zinc/86/63/42/1064866342.db2.gz OXMXGKLDRILZCX-ZDUSSCGKSA-N -1 1 357.366 2.819 20 5 FFBDMM Cc1cc(F)c(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001474826626 1065618203 /nfs/dbraw/zinc/61/82/03/1065618203.db2.gz RCKSSQQFFKYDSQ-UHFFFAOYSA-N -1 1 371.365 2.572 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)cc1F ZINC001474999556 1065668995 /nfs/dbraw/zinc/66/89/95/1065668995.db2.gz CVUGDSMNLGIINI-AWEZNQCLSA-N -1 1 374.434 2.652 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCS1 ZINC001561986459 1076460371 /nfs/dbraw/zinc/46/03/71/1076460371.db2.gz XZNJLSVOIWZRAO-JGVFFNPUSA-N -1 1 368.839 2.950 20 5 FFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC001566367014 1076951983 /nfs/dbraw/zinc/95/19/83/1076951983.db2.gz XTYGYCRUMBKZGN-VIFPVBQESA-N -1 1 358.379 2.839 20 5 FFBDMM O=C([N-]c1ccn2nccc2n1)c1sc(Br)cc1[N+](=O)[O-] ZINC001586042575 1079533925 /nfs/dbraw/zinc/53/39/25/1079533925.db2.gz WEVZKRCIHSEQDU-UHFFFAOYSA-N -1 1 368.172 2.714 20 5 FFBDMM CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(F)c1 ZINC001588878546 1080228804 /nfs/dbraw/zinc/22/88/04/1080228804.db2.gz IXMWROKBVCEWBU-UHFFFAOYSA-N -1 1 358.289 2.665 20 5 FFBDMM CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(F)c1 ZINC001588878546 1080228808 /nfs/dbraw/zinc/22/88/08/1080228808.db2.gz IXMWROKBVCEWBU-UHFFFAOYSA-N -1 1 358.289 2.665 20 5 FFBDMM CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001589456153 1080542191 /nfs/dbraw/zinc/54/21/91/1080542191.db2.gz AQGXGYTYBNKLHU-AWEZNQCLSA-N -1 1 368.401 2.604 20 5 FFBDMM CC(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001589456153 1080542196 /nfs/dbraw/zinc/54/21/96/1080542196.db2.gz AQGXGYTYBNKLHU-AWEZNQCLSA-N -1 1 368.401 2.604 20 5 FFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC001589980505 1080919022 /nfs/dbraw/zinc/91/90/22/1080919022.db2.gz BPIKLVQINFNWRP-YGRLFVJLSA-N -1 1 352.354 2.752 20 5 FFBDMM C[C@]1(c2ccccc2)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001590153717 1081055631 /nfs/dbraw/zinc/05/56/31/1081055631.db2.gz PLJVAYXTRDDRGN-GOSISDBHSA-N -1 1 366.381 2.527 20 5 FFBDMM C[C@]1(c2ccccc2)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001590153717 1081055641 /nfs/dbraw/zinc/05/56/41/1081055641.db2.gz PLJVAYXTRDDRGN-GOSISDBHSA-N -1 1 366.381 2.527 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590241958 1081116276 /nfs/dbraw/zinc/11/62/76/1081116276.db2.gz YUCMPDQVDZIEFV-MDRZDLKXSA-N -1 1 372.429 2.541 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590241958 1081116278 /nfs/dbraw/zinc/11/62/78/1081116278.db2.gz YUCMPDQVDZIEFV-MDRZDLKXSA-N -1 1 372.429 2.541 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103525796 250159062 /nfs/dbraw/zinc/15/90/62/250159062.db2.gz RYHFDVRFMUNRBW-CQSZACIVSA-N -1 1 363.757 2.563 20 5 FFBDMM Cc1nc2c(n1[C@H]1CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C1)CCCC2 ZINC000275619225 256031778 /nfs/dbraw/zinc/03/17/78/256031778.db2.gz LJEDSMQZBMACQQ-ZDUSSCGKSA-N -1 1 370.409 2.771 20 5 FFBDMM CC(C)n1c(CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)n[n-]c1=S ZINC000067073676 506747690 /nfs/dbraw/zinc/74/76/90/506747690.db2.gz MSLZUVLVFVIAIN-UHFFFAOYSA-N -1 1 374.426 2.884 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Br)cc1 ZINC000015611540 507050989 /nfs/dbraw/zinc/05/09/89/507050989.db2.gz CCJXKCDVENQGBG-MRVPVSSYSA-N -1 1 366.171 2.949 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000069128831 507417077 /nfs/dbraw/zinc/41/70/77/507417077.db2.gz YADNKBKGKDBEFI-ZDUSSCGKSA-N -1 1 366.399 2.531 20 5 FFBDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000050535229 507691325 /nfs/dbraw/zinc/69/13/25/507691325.db2.gz MZTOEFFFQFQNLN-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(C(C)(C)C)cs1 ZINC000106920599 507829090 /nfs/dbraw/zinc/82/90/90/507829090.db2.gz GLUXBQLYVVUQSR-QMMMGPOBSA-N -1 1 350.400 2.940 20 5 FFBDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000104756170 508345282 /nfs/dbraw/zinc/34/52/82/508345282.db2.gz VKBVWRMYFKATPK-UHFFFAOYSA-N -1 1 373.431 2.966 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000116601939 508537472 /nfs/dbraw/zinc/53/74/72/508537472.db2.gz LZJPZGULAIOFER-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000154279505 508751305 /nfs/dbraw/zinc/75/13/05/508751305.db2.gz GMDLCKIVDGWWHU-LLVKDONJSA-N -1 1 370.452 2.822 20 5 FFBDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000159909209 508909993 /nfs/dbraw/zinc/90/99/93/508909993.db2.gz UROVXXALQYKKNQ-MRVPVSSYSA-N -1 1 373.818 2.763 20 5 FFBDMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000185791628 509357734 /nfs/dbraw/zinc/35/77/34/509357734.db2.gz AXLRYSHZWAUATE-KBPBESRZSA-N -1 1 351.403 2.751 20 5 FFBDMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164194648 509474288 /nfs/dbraw/zinc/47/42/88/509474288.db2.gz UKKKTOUECPSKBR-INIZCTEOSA-N -1 1 355.394 2.695 20 5 FFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nnc[nH]2)c1 ZINC000186058220 509503433 /nfs/dbraw/zinc/50/34/33/509503433.db2.gz KRVYEGXGQKGAEU-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685392 509721568 /nfs/dbraw/zinc/72/15/68/509721568.db2.gz DZZGBPBUUKDHBM-NSHDSACASA-N -1 1 362.773 2.675 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)s1 ZINC000180131262 509769880 /nfs/dbraw/zinc/76/98/80/509769880.db2.gz IGCZHJOMERTYKT-NSHDSACASA-N -1 1 372.399 2.988 20 5 FFBDMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000186728136 509876649 /nfs/dbraw/zinc/87/66/49/509876649.db2.gz IEVDQIDOFZYSCX-MRVPVSSYSA-N -1 1 359.404 2.581 20 5 FFBDMM CCO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000193542772 509958274 /nfs/dbraw/zinc/95/82/74/509958274.db2.gz WIWOQHJBIGWAOZ-LBPRGKRZSA-N -1 1 356.425 2.712 20 5 FFBDMM Cc1cccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccn2)c1 ZINC000193782649 510066844 /nfs/dbraw/zinc/06/68/44/510066844.db2.gz LMFDNMYSPQYQLN-QGZVFWFLSA-N -1 1 364.361 2.918 20 5 FFBDMM COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000187455350 510275429 /nfs/dbraw/zinc/27/54/29/510275429.db2.gz BXIMWTYAJUXIBV-UHFFFAOYSA-N -1 1 371.271 2.653 20 5 FFBDMM CCOC(=O)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c([O-])c1 ZINC000269505062 510440512 /nfs/dbraw/zinc/44/05/12/510440512.db2.gz BUZPZTFZPDQADT-UHFFFAOYSA-N -1 1 362.342 2.576 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191783764 510828964 /nfs/dbraw/zinc/82/89/64/510828964.db2.gz PMVIQYWRMMKTAD-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000263803312 510846239 /nfs/dbraw/zinc/84/62/39/510846239.db2.gz UVYRUNOQXKCUKI-UHFFFAOYSA-N -1 1 366.374 2.831 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1 ZINC000294475605 511076699 /nfs/dbraw/zinc/07/66/99/511076699.db2.gz WXPBCOKAYDQJPS-UHFFFAOYSA-N -1 1 364.383 2.601 20 5 FFBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000271242977 511134906 /nfs/dbraw/zinc/13/49/06/511134906.db2.gz ZFUMFNRCWCCYDA-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000326296740 511855656 /nfs/dbraw/zinc/85/56/56/511855656.db2.gz QWBAWTZVMUYNCX-UHFFFAOYSA-N -1 1 350.352 2.607 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cc1C ZINC000327078993 511868619 /nfs/dbraw/zinc/86/86/19/511868619.db2.gz VEMGLAHXMDXCJW-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000392762348 512928475 /nfs/dbraw/zinc/92/84/75/512928475.db2.gz QFTICAYFDOJNHK-UHFFFAOYSA-N -1 1 350.352 2.656 20 5 FFBDMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1F ZINC000436147890 513775272 /nfs/dbraw/zinc/77/52/72/513775272.db2.gz BIROIBASMSXUFC-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM COCC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000416586030 513850352 /nfs/dbraw/zinc/85/03/52/513850352.db2.gz GCZUTOUZKJFDJT-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436859347 514012459 /nfs/dbraw/zinc/01/24/59/514012459.db2.gz AWUKTLSEVIKBSN-OAHLLOKOSA-N -1 1 355.394 2.695 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000451963028 514098708 /nfs/dbraw/zinc/09/87/08/514098708.db2.gz YFOQWRKKGJUZIS-UHFFFAOYSA-N -1 1 373.818 2.976 20 5 FFBDMM O=C(NCc1ccnc(OC2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445181105 514437071 /nfs/dbraw/zinc/43/70/71/514437071.db2.gz BEXICRFTCVQGTB-UHFFFAOYSA-N -1 1 372.381 2.732 20 5 FFBDMM O=C(NCCc1cccc(Cl)c1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445190124 514439872 /nfs/dbraw/zinc/43/98/72/514439872.db2.gz KFZSNXHVSTWIAU-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000470696956 514578383 /nfs/dbraw/zinc/57/83/83/514578383.db2.gz KBOFJYHOVIIRBI-UHFFFAOYSA-N -1 1 366.374 2.831 20 5 FFBDMM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc([O-])c(Cl)c1 ZINC000509173491 515056497 /nfs/dbraw/zinc/05/64/97/515056497.db2.gz XJOXJHCLMNOZBV-UHFFFAOYSA-N -1 1 364.741 2.906 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000503823255 515147943 /nfs/dbraw/zinc/14/79/43/515147943.db2.gz URUZKZFILJIQDT-GFCCVEGCSA-N -1 1 354.384 2.552 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)o2)cc1 ZINC000499239033 515250521 /nfs/dbraw/zinc/25/05/21/515250521.db2.gz DEXLHZPQRSSLEC-UHFFFAOYSA-N -1 1 354.370 2.927 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)o2)cc1 ZINC000499239033 515250529 /nfs/dbraw/zinc/25/05/29/515250529.db2.gz DEXLHZPQRSSLEC-UHFFFAOYSA-N -1 1 354.370 2.927 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000491595936 515458230 /nfs/dbraw/zinc/45/82/30/515458230.db2.gz FXQBDBZQAHALHV-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000468815225 515532062 /nfs/dbraw/zinc/53/20/62/515532062.db2.gz DTTAVGMBIRYKBF-LBPRGKRZSA-N -1 1 357.366 2.554 20 5 FFBDMM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000468815065 515532514 /nfs/dbraw/zinc/53/25/14/515532514.db2.gz DTTAVGMBIRYKBF-GFCCVEGCSA-N -1 1 357.366 2.554 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc2n1 ZINC000493178653 515606000 /nfs/dbraw/zinc/60/60/00/515606000.db2.gz FTCXMGOFOMOKBW-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000487111181 515764133 /nfs/dbraw/zinc/76/41/33/515764133.db2.gz COZCTJPMNULSBH-SNVBAGLBSA-N -1 1 355.803 2.553 20 5 FFBDMM C[NH+](C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473912810 515798984 /nfs/dbraw/zinc/79/89/84/515798984.db2.gz RSCBYPHINLUSTQ-OAHLLOKOSA-N -1 1 373.450 2.523 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479152076 516081259 /nfs/dbraw/zinc/08/12/59/516081259.db2.gz GERWSFDIALOFKN-GFCCVEGCSA-N -1 1 368.333 2.613 20 5 FFBDMM Cn1ccc(-c2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]n2)c1 ZINC000557662682 516367172 /nfs/dbraw/zinc/36/71/72/516367172.db2.gz PTBPTZPQSVSNGK-UHFFFAOYSA-N -1 1 361.745 2.935 20 5 FFBDMM O=C([O-])[C@@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000551055628 516543733 /nfs/dbraw/zinc/54/37/33/516543733.db2.gz RZMAHKKIMXPRFS-OAHLLOKOSA-N -1 1 365.436 2.768 20 5 FFBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561562415 516655672 /nfs/dbraw/zinc/65/56/72/516655672.db2.gz SDBKZIKHEAXZLB-VFZGTOFNSA-N -1 1 352.343 2.534 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000548218923 516833712 /nfs/dbraw/zinc/83/37/12/516833712.db2.gz AHAMFTAWWDWTNP-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000555413256 516915277 /nfs/dbraw/zinc/91/52/77/516915277.db2.gz FGRKKBNGQFMQPA-AULYBMBSSA-N -1 1 367.814 2.868 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CC1 ZINC000525702353 517125714 /nfs/dbraw/zinc/12/57/14/517125714.db2.gz CZXXUTPILOWUCG-UHFFFAOYSA-N -1 1 367.814 2.653 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000533175813 517326630 /nfs/dbraw/zinc/32/66/30/517326630.db2.gz TZWBOWRBGGLYOM-UHFFFAOYSA-N -1 1 372.834 2.678 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000527326707 517641388 /nfs/dbraw/zinc/64/13/88/517641388.db2.gz CZNLGXSNHSSVCL-CABCVRRESA-N -1 1 361.423 2.680 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1[N+](=O)[O-] ZINC000533902473 517660593 /nfs/dbraw/zinc/66/05/93/517660593.db2.gz ONRYYPLBZFJASN-UHFFFAOYSA-N -1 1 364.379 2.915 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542711016 517698538 /nfs/dbraw/zinc/69/85/38/517698538.db2.gz UUJZBUCBWZQTAL-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000538699892 517730584 /nfs/dbraw/zinc/73/05/84/517730584.db2.gz SWAFJDKVEFMYFP-UHFFFAOYSA-N -1 1 354.160 2.962 20 5 FFBDMM CCOC(=O)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000534093672 517739592 /nfs/dbraw/zinc/73/95/92/517739592.db2.gz CSEQGTOCHNBJNP-UHFFFAOYSA-N -1 1 370.321 2.606 20 5 FFBDMM Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(N2CCOCC2)c1 ZINC000547169437 518009563 /nfs/dbraw/zinc/00/95/63/518009563.db2.gz XJRFSMVPEQNJRX-UHFFFAOYSA-N -1 1 355.354 2.785 20 5 FFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc1OC ZINC000581362641 518249612 /nfs/dbraw/zinc/24/96/12/518249612.db2.gz YZDWYDFGVSEQSW-UHFFFAOYSA-N -1 1 363.374 2.601 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000584719238 518446256 /nfs/dbraw/zinc/44/62/56/518446256.db2.gz CUMHUKRLKJFAJV-UHFFFAOYSA-N -1 1 352.416 2.880 20 5 FFBDMM Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584722719 518447987 /nfs/dbraw/zinc/44/79/87/518447987.db2.gz OUVJJCQQMJUUJJ-CHWSQXEVSA-N -1 1 351.403 2.513 20 5 FFBDMM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000570327679 518551358 /nfs/dbraw/zinc/55/13/58/518551358.db2.gz OFNIVGDZEWFVIK-NSHDSACASA-N -1 1 369.299 2.846 20 5 FFBDMM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000582639797 518849344 /nfs/dbraw/zinc/84/93/44/518849344.db2.gz NLRFGQYOECSCTB-LBPRGKRZSA-N -1 1 365.411 2.817 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000574892950 519389055 /nfs/dbraw/zinc/38/90/55/519389055.db2.gz OMAWKKIEMXYDSJ-CABCVRRESA-N -1 1 361.423 2.995 20 5 FFBDMM Nc1nccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1[N+](=O)[O-] ZINC000594419913 519953962 /nfs/dbraw/zinc/95/39/62/519953962.db2.gz FEFIMDPWHMYAIK-UHFFFAOYSA-N -1 1 362.415 2.629 20 5 FFBDMM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609133798 520200789 /nfs/dbraw/zinc/20/07/89/520200789.db2.gz OJBFJAWWXBODSY-QMMMGPOBSA-N -1 1 351.222 2.824 20 5 FFBDMM CCOCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000600442769 520268373 /nfs/dbraw/zinc/26/83/73/520268373.db2.gz FPQOAYRNUKFGQH-MRXNPFEDSA-N -1 1 371.393 2.862 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000603779936 520359526 /nfs/dbraw/zinc/35/95/26/520359526.db2.gz ARYSJSJMZKSVNO-UHFFFAOYSA-N -1 1 350.352 2.557 20 5 FFBDMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000603983801 520422285 /nfs/dbraw/zinc/42/22/85/520422285.db2.gz ZFTBCUPCDCARPQ-UHFFFAOYSA-N -1 1 352.368 2.803 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccncc3)on2)cc([N+](=O)[O-])c1 ZINC000609883986 520467609 /nfs/dbraw/zinc/46/76/09/520467609.db2.gz XWZUYBBLZFFXAR-UHFFFAOYSA-N -1 1 368.305 2.684 20 5 FFBDMM COc1ccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000598197568 520488171 /nfs/dbraw/zinc/48/81/71/520488171.db2.gz MUOXRYKBGJHILT-CYBMUJFWSA-N -1 1 361.329 2.820 20 5 FFBDMM Cc1cc(N2CCN(Cc3cccs3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967091 520663426 /nfs/dbraw/zinc/66/34/26/520663426.db2.gz KIFUKMFDDIZOGF-UHFFFAOYSA-N -1 1 361.423 2.985 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)CC[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000611106223 520986826 /nfs/dbraw/zinc/98/68/26/520986826.db2.gz QGRJTQNUTOCSNR-FRRDWIJNSA-N -1 1 358.464 2.550 20 5 FFBDMM Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc([O-])c3[N+](=O)[O-])C2)cc1 ZINC000601881423 521004502 /nfs/dbraw/zinc/00/45/02/521004502.db2.gz MKWFAYAHCRWXJM-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000611376675 521126114 /nfs/dbraw/zinc/12/61/14/521126114.db2.gz YJGXSVAYAJAOSD-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC ZINC000599367365 521178529 /nfs/dbraw/zinc/17/85/29/521178529.db2.gz HAJGPGOUTGCDDV-JTQLQIEISA-N -1 1 350.824 2.732 20 5 FFBDMM CC1(C)C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cc(F)ccc2O1 ZINC000593816190 521228865 /nfs/dbraw/zinc/22/88/65/521228865.db2.gz UFNSXBFHQIZTMC-LBPRGKRZSA-N -1 1 361.329 2.867 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826498846 607451275 /nfs/dbraw/zinc/45/12/75/607451275.db2.gz LUVIWNNIRPLCRZ-CQSZACIVSA-N -1 1 360.761 2.574 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826498846 607451277 /nfs/dbraw/zinc/45/12/77/607451277.db2.gz LUVIWNNIRPLCRZ-CQSZACIVSA-N -1 1 360.761 2.574 20 5 FFBDMM C[C@H]1C[C@@H](c2ccccc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820666553 606710316 /nfs/dbraw/zinc/71/03/16/606710316.db2.gz IJBPCDSZGZFOFH-WCQYABFASA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@H]1C[C@@H](c2ccccc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820666553 606710317 /nfs/dbraw/zinc/71/03/17/606710317.db2.gz IJBPCDSZGZFOFH-WCQYABFASA-N -1 1 351.370 2.552 20 5 FFBDMM COc1ccc([C@H](C)CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821777654 606712548 /nfs/dbraw/zinc/71/25/48/606712548.db2.gz KIOOTCGAYBIBTH-LLVKDONJSA-N -1 1 369.385 2.784 20 5 FFBDMM COc1ccc([C@H](C)CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821777654 606712549 /nfs/dbraw/zinc/71/25/49/606712549.db2.gz KIOOTCGAYBIBTH-LLVKDONJSA-N -1 1 369.385 2.784 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cc2ccccc2o1 ZINC000823625112 606712876 /nfs/dbraw/zinc/71/28/76/606712876.db2.gz PHZKNFKQYCFCDI-UHFFFAOYSA-N -1 1 351.326 2.571 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cc2ccccc2o1 ZINC000823625112 606712877 /nfs/dbraw/zinc/71/28/77/606712877.db2.gz PHZKNFKQYCFCDI-UHFFFAOYSA-N -1 1 351.326 2.571 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820907808 606714716 /nfs/dbraw/zinc/71/47/16/606714716.db2.gz HIEDLDDOVYSSLL-SNVBAGLBSA-N -1 1 373.348 2.579 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1F ZINC000820907808 606714717 /nfs/dbraw/zinc/71/47/17/606714717.db2.gz HIEDLDDOVYSSLL-SNVBAGLBSA-N -1 1 373.348 2.579 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1CCC(C(F)(F)F)CC1 ZINC000823620474 606716242 /nfs/dbraw/zinc/71/62/42/606716242.db2.gz LITLMJCAKMEVOI-UHFFFAOYSA-N -1 1 371.323 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1CCC(C(F)(F)F)CC1 ZINC000823620474 606716243 /nfs/dbraw/zinc/71/62/43/606716243.db2.gz LITLMJCAKMEVOI-UHFFFAOYSA-N -1 1 371.323 2.951 20 5 FFBDMM CC1(c2ccccc2)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824843393 607810065 /nfs/dbraw/zinc/81/00/65/607810065.db2.gz DJGZRDPQABPCRE-UHFFFAOYSA-N -1 1 365.397 2.728 20 5 FFBDMM CC1(c2ccccc2)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824843393 607810066 /nfs/dbraw/zinc/81/00/66/607810066.db2.gz DJGZRDPQABPCRE-UHFFFAOYSA-N -1 1 365.397 2.728 20 5 FFBDMM O=[N+]([O-])c1cccc(CCNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826499360 607968497 /nfs/dbraw/zinc/96/84/97/607968497.db2.gz FXNHSQVMHNDULT-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM O=[N+]([O-])c1cccc(CCNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826499360 607968498 /nfs/dbraw/zinc/96/84/98/607968498.db2.gz FXNHSQVMHNDULT-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM CC(C)CSCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159062334 728900183 /nfs/dbraw/zinc/90/01/83/728900183.db2.gz ZMYCJCAFXIAUHL-UHFFFAOYSA-N -1 1 350.437 2.792 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1Cl ZINC000026543642 727869735 /nfs/dbraw/zinc/86/97/35/727869735.db2.gz OIUOQIWWYRSKCJ-UHFFFAOYSA-N -1 1 354.771 2.984 20 5 FFBDMM COc1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101569004 728486445 /nfs/dbraw/zinc/48/64/45/728486445.db2.gz CRZGBZSUCGYGEK-UHFFFAOYSA-N -1 1 370.814 2.778 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Br)cs1 ZINC000120059504 728605086 /nfs/dbraw/zinc/60/50/86/728605086.db2.gz KKLRBRSPFHZGLW-UHFFFAOYSA-N -1 1 364.202 2.615 20 5 FFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173522978 729049647 /nfs/dbraw/zinc/04/96/47/729049647.db2.gz YNABHYVJGJHIJD-SECBINFHSA-N -1 1 350.824 2.730 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)cc1F ZINC000867231953 731158421 /nfs/dbraw/zinc/15/84/21/731158421.db2.gz GCNZDLGIIRJZJD-HNNXBMFYSA-N -1 1 372.418 2.670 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@H]1CCSC1 ZINC000867575377 731202048 /nfs/dbraw/zinc/20/20/48/731202048.db2.gz HAKVCFNTIWDHBZ-VIFPVBQESA-N -1 1 350.849 2.670 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000780071072 738513562 /nfs/dbraw/zinc/51/35/62/738513562.db2.gz BYWBUZFRXZGFDF-UHFFFAOYSA-N -1 1 350.714 2.749 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000725816502 734392857 /nfs/dbraw/zinc/39/28/57/734392857.db2.gz FFPSBWPHVCEZKL-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000732817070 734768125 /nfs/dbraw/zinc/76/81/25/734768125.db2.gz AQJLGADPRWZOOE-JTQLQIEISA-N -1 1 356.379 2.551 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000742308887 735223970 /nfs/dbraw/zinc/22/39/70/735223970.db2.gz LRMQHQNCGZVSKB-JSGCOSHPSA-N -1 1 350.371 2.643 20 5 FFBDMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000742329125 735228523 /nfs/dbraw/zinc/22/85/23/735228523.db2.gz NHDDVPOKOSEDJR-DTWKUNHWSA-N -1 1 350.849 2.811 20 5 FFBDMM O=C(OCc1cncc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750811211 735816689 /nfs/dbraw/zinc/81/66/89/735816689.db2.gz FJSGYTWTGIBZMW-UHFFFAOYSA-N -1 1 353.128 2.815 20 5 FFBDMM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCN3CCSC[C@H]23)c([N+](=O)[O-])c1 ZINC000910387815 737067691 /nfs/dbraw/zinc/06/76/91/737067691.db2.gz ZKKXEFVSDFVHNQ-LNRYFFFSSA-N -1 1 363.439 2.684 20 5 FFBDMM CCN(C)c1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768835465 737463709 /nfs/dbraw/zinc/46/37/09/737463709.db2.gz FCVKWCHIIUHLLK-UHFFFAOYSA-N -1 1 355.441 2.591 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cs1 ZINC000768883553 737471757 /nfs/dbraw/zinc/47/17/57/737471757.db2.gz YJDMSQGTVSMVGC-UHFFFAOYSA-N -1 1 368.371 2.782 20 5 FFBDMM O=C([N-]c1nc2cc[nH]cc-2n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000770676678 737651580 /nfs/dbraw/zinc/65/15/80/737651580.db2.gz IIZTXBGNQUGDAM-UHFFFAOYSA-N -1 1 368.172 2.942 20 5 FFBDMM Cc1ncc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000771957920 737770315 /nfs/dbraw/zinc/77/03/15/737770315.db2.gz XMGBLJCUMZARFQ-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000921852617 738056088 /nfs/dbraw/zinc/05/60/88/738056088.db2.gz DGSGXDFPANBCNB-ABAIWWIYSA-N -1 1 374.846 2.732 20 5 FFBDMM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790891070 739509685 /nfs/dbraw/zinc/50/96/85/739509685.db2.gz VBQUPOJYEIKQHH-UHFFFAOYSA-N -1 1 362.816 2.797 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808341017 741215854 /nfs/dbraw/zinc/21/58/54/741215854.db2.gz UNIARMYVMUJIST-BONVTDFDSA-N -1 1 370.814 2.649 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809822846 741348710 /nfs/dbraw/zinc/34/87/10/741348710.db2.gz UGSGPPXUZVIKAO-NSHDSACASA-N -1 1 371.242 2.851 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccncc1 ZINC000809823789 741349172 /nfs/dbraw/zinc/34/91/72/741349172.db2.gz SMVBFTIYOXFGIV-SECBINFHSA-N -1 1 373.793 2.864 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2Cc3ccccc3C2)cc1Cl ZINC000809831188 741350679 /nfs/dbraw/zinc/35/06/79/741350679.db2.gz UDVORGKATWCYKN-UHFFFAOYSA-N -1 1 370.789 2.833 20 5 FFBDMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000810096947 741385288 /nfs/dbraw/zinc/38/52/88/741385288.db2.gz APKNGEGEGVTJAO-RQJHMYQMSA-N -1 1 357.215 2.603 20 5 FFBDMM CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000810111065 741387704 /nfs/dbraw/zinc/38/77/04/741387704.db2.gz YVGDMBIWCSBSHV-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000814986521 741879414 /nfs/dbraw/zinc/87/94/14/741879414.db2.gz QTSSHLAMXHJXDT-UHFFFAOYSA-N -1 1 364.807 2.970 20 5 FFBDMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021044 741884026 /nfs/dbraw/zinc/88/40/26/741884026.db2.gz KIVMFFGWLFCYFJ-HTQZYQBOSA-N -1 1 368.839 2.950 20 5 FFBDMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000817145514 742095227 /nfs/dbraw/zinc/09/52/27/742095227.db2.gz IOQPEIAVYGHAGW-BDAKNGLRSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828381289 745060951 /nfs/dbraw/zinc/06/09/51/745060951.db2.gz MRFHYOJAERBBTR-HZGVNTEJSA-N -1 1 354.812 2.560 20 5 FFBDMM CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830594404 745390275 /nfs/dbraw/zinc/39/02/75/745390275.db2.gz USNZYPVUTULYOB-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1(Cl)Cl ZINC000832368764 745685056 /nfs/dbraw/zinc/68/50/56/745685056.db2.gz DQZCQDCVJBCCAO-LLVKDONJSA-N -1 1 371.217 2.986 20 5 FFBDMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000841523805 747383222 /nfs/dbraw/zinc/38/32/22/747383222.db2.gz DFKZMISFSBWNCM-JTQLQIEISA-N -1 1 362.835 2.732 20 5 FFBDMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)O1 ZINC000841536005 747388502 /nfs/dbraw/zinc/38/85/02/747388502.db2.gz YJNZFJLIOYTKHN-JGVFFNPUSA-N -1 1 369.226 2.747 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC1CC1 ZINC000841561842 747400483 /nfs/dbraw/zinc/40/04/83/747400483.db2.gz YUTLZLYHKCYLNU-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1[N+](=O)[O-] ZINC000849337015 749104890 /nfs/dbraw/zinc/10/48/90/749104890.db2.gz LZBUOIANVMCURT-UHFFFAOYSA-N -1 1 356.791 2.958 20 5 FFBDMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849419476 749145052 /nfs/dbraw/zinc/14/50/52/749145052.db2.gz NQMHTPRKOGYWQG-GFCCVEGCSA-N -1 1 362.835 2.732 20 5 FFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000018707238 845034050 /nfs/dbraw/zinc/03/40/50/845034050.db2.gz OTUZIGRHIDHECS-UHFFFAOYSA-N -1 1 372.200 2.740 20 5 FFBDMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000053670978 845280943 /nfs/dbraw/zinc/28/09/43/845280943.db2.gz USSYVTKPOXUCGH-GFCCVEGCSA-N -1 1 368.386 2.788 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001595014831 951278592 /nfs/dbraw/zinc/27/85/92/951278592.db2.gz DVLRZVGQBSVSIE-LBPRGKRZSA-N -1 1 372.381 2.702 20 5 FFBDMM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001599902000 984852233 /nfs/dbraw/zinc/85/22/33/984852233.db2.gz DDKLRUGXZYWLTL-LBPRGKRZSA-N -1 1 357.366 2.607 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000130498469 987190877 /nfs/dbraw/zinc/19/08/77/987190877.db2.gz XSRDPXAKUGTCAR-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CCOC(=O)c1c[nH]c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001128946729 990047136 /nfs/dbraw/zinc/04/71/36/990047136.db2.gz YBIIBMKNTQFZKU-UHFFFAOYSA-N -1 1 372.259 2.766 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001128946729 990047149 /nfs/dbraw/zinc/04/71/49/990047149.db2.gz YBIIBMKNTQFZKU-UHFFFAOYSA-N -1 1 372.259 2.766 20 5 FFBDMM O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918008221 990317091 /nfs/dbraw/zinc/31/70/91/990317091.db2.gz LIEWIZATIUTTOZ-UHFFFAOYSA-N -1 1 354.322 2.698 20 5 FFBDMM COc1cc(OC)cc([C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599451774 998114694 /nfs/dbraw/zinc/11/46/94/998114694.db2.gz ANLKGFZAFLHGJF-KRWDZBQOSA-N -1 1 360.366 2.836 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744518357 999861596 /nfs/dbraw/zinc/86/15/96/999861596.db2.gz QBIQHSXCAGVDDN-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM COc1ccc(-c2nnc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)o2)cc1 ZINC000769046683 1000412713 /nfs/dbraw/zinc/41/27/13/1000412713.db2.gz KNTHLDUBAKWOOQ-UHFFFAOYSA-N -1 1 371.305 2.716 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000769045775 1000413003 /nfs/dbraw/zinc/41/30/03/1000413003.db2.gz ILLJELGTWYSJDZ-SECBINFHSA-N -1 1 356.294 2.663 20 5 FFBDMM O=C1[C@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000804387827 1003633375 /nfs/dbraw/zinc/63/33/75/1003633375.db2.gz HJTAILCAIBPQBC-CYBMUJFWSA-N -1 1 356.338 2.716 20 5 FFBDMM COc1ccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])cc1[N+](=O)[O-] ZINC000801203621 1018735241 /nfs/dbraw/zinc/73/52/41/1018735241.db2.gz MKYYLPTYOQHVEX-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780076141 1019625946 /nfs/dbraw/zinc/62/59/46/1019625946.db2.gz RTDMCFSRCWAFSP-NSHDSACASA-N -1 1 366.370 2.714 20 5 FFBDMM C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076056 1019649647 /nfs/dbraw/zinc/64/96/47/1019649647.db2.gz OVAQBKWJSUAACY-LBPRGKRZSA-N -1 1 370.361 2.825 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCCCC1CCCCC1 ZINC000780076926 1019672387 /nfs/dbraw/zinc/67/23/87/1019672387.db2.gz UAONRHTTXPCTGF-UHFFFAOYSA-N -1 1 364.398 2.934 20 5 FFBDMM Cc1cc(Cl)c(C(=O)[N-]N2CCc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC001137763821 1033040582 /nfs/dbraw/zinc/04/05/82/1033040582.db2.gz HXWRQIYTDQKHHW-UHFFFAOYSA-N -1 1 359.769 2.900 20 5 FFBDMM O=c1c2ccc(O)c(OC3CCC(O)CC3)c2oc2cc([O-])cc(O)c12 ZINC001218370613 1033127946 /nfs/dbraw/zinc/12/79/46/1033127946.db2.gz XRFRLMXHHCINHM-UHFFFAOYSA-N -1 1 358.346 2.745 20 5 FFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757644043 1023842398 /nfs/dbraw/zinc/84/23/98/1023842398.db2.gz SGDFGYRQACNFPV-UHFFFAOYSA-N -1 1 356.382 2.721 20 5 FFBDMM O=C(Nc1cc([O-])c(F)cc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001160917458 1027921382 /nfs/dbraw/zinc/92/13/82/1027921382.db2.gz USUUMRKBLKETSV-UHFFFAOYSA-N -1 1 352.249 2.602 20 5 FFBDMM O=C(OCc1cncn1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784213821 1030512823 /nfs/dbraw/zinc/51/28/23/1030512823.db2.gz HQZHAEVXHOWYRD-UHFFFAOYSA-N -1 1 353.334 2.902 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000797494632 1031132644 /nfs/dbraw/zinc/13/26/44/1031132644.db2.gz ZAXIEXSUSUOENI-UHFFFAOYSA-N -1 1 373.361 2.976 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225660026 1034354969 /nfs/dbraw/zinc/35/49/69/1034354969.db2.gz BTOBNHFJOMLTTC-PWSUYJOCSA-N -1 1 371.365 2.812 20 5 FFBDMM C[C@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660783 1034355323 /nfs/dbraw/zinc/35/53/23/1034355323.db2.gz GKTIPJQSRYNKBC-QWRGUYRKSA-N -1 1 353.375 2.862 20 5 FFBDMM CCOC(=O)[C@H]1C[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664506 1034359467 /nfs/dbraw/zinc/35/94/67/1034359467.db2.gz PMEKUZYSARHQQI-UONOGXRCSA-N -1 1 360.322 2.530 20 5 FFBDMM COc1cnc(=S)[n-]c1OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001226247616 1034591696 /nfs/dbraw/zinc/59/16/96/1034591696.db2.gz YLYHXAULUQBOAM-UHFFFAOYSA-N -1 1 362.411 2.730 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@@H]3COC(=O)O3)c([N+](=O)[O-])c2)cc1 ZINC001227700511 1035684878 /nfs/dbraw/zinc/68/48/78/1035684878.db2.gz VWFMDFOCYKNBKR-CYBMUJFWSA-N -1 1 373.317 2.754 20 5 FFBDMM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142587 1035958303 /nfs/dbraw/zinc/95/83/03/1035958303.db2.gz FOZOSLBZYRZXBN-WDEREUQCSA-N -1 1 368.390 2.505 20 5 FFBDMM O=c1[n-]cnc(O[C@@H]2CCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228140312 1035958618 /nfs/dbraw/zinc/95/86/18/1035958618.db2.gz HLLAMCDGFCPMBM-SNVBAGLBSA-N -1 1 352.144 2.919 20 5 FFBDMM CCOC(=O)[C@@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CO1 ZINC001233497824 1036661584 /nfs/dbraw/zinc/66/15/84/1036661584.db2.gz IFZFGDJXPYPALK-SDBXPKJASA-N -1 1 369.761 2.614 20 5 FFBDMM CC(C)C(=O)N1CC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229805014 1036909002 /nfs/dbraw/zinc/90/90/02/1036909002.db2.gz HIVZSYNBJQHTLH-UHFFFAOYSA-N -1 1 369.373 2.603 20 5 FFBDMM COC(=O)C[C@@H](C)Oc1cc2c(cc1O)oc1cc([O-])cc(OC)c1c2=O ZINC001234799488 1037183133 /nfs/dbraw/zinc/18/31/33/1037183133.db2.gz QMFLLVBALCPEKY-SECBINFHSA-N -1 1 374.345 2.696 20 5 FFBDMM COc1cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c([N+](=O)[O-])cc1F ZINC001264722982 1042804718 /nfs/dbraw/zinc/80/47/18/1042804718.db2.gz NBDUKMCSRKBGPQ-UHFFFAOYSA-N -1 1 371.328 2.635 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C/C=C\c1cccnc1 ZINC001309665738 1043474788 /nfs/dbraw/zinc/47/47/88/1043474788.db2.gz HWKWVLZHKKZTDR-RQOWECAXSA-N -1 1 371.777 2.774 20 5 FFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001318713652 1044828287 /nfs/dbraw/zinc/82/82/87/1044828287.db2.gz BGLIYMMIKDSJPP-MGPQQGTHSA-N -1 1 355.460 2.977 20 5 FFBDMM CCc1[nH]nc(C(=O)Nc2ccc(Br)c([O-])c2)c1[N+](=O)[O-] ZINC001322514470 1046114736 /nfs/dbraw/zinc/11/47/36/1046114736.db2.gz UBBDELWYICNVNR-UHFFFAOYSA-N -1 1 355.148 2.601 20 5 FFBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2nc[nH]c2C12CCC2 ZINC001303217539 1051305375 /nfs/dbraw/zinc/30/53/75/1051305375.db2.gz JFLUCMKHVPSZLP-UHFFFAOYSA-N -1 1 362.773 2.755 20 5 FFBDMM Cc1nn(CCC(=O)Nc2cc(F)c([O-])cc2Cl)c(C)c1[N+](=O)[O-] ZINC001304283207 1051584744 /nfs/dbraw/zinc/58/47/44/1051584744.db2.gz CVGXDFKLSKFPHP-UHFFFAOYSA-N -1 1 356.741 2.935 20 5 FFBDMM O=C(NCc1ccccc1CC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001454506354 1059550357 /nfs/dbraw/zinc/55/03/57/1059550357.db2.gz VYBKVQVNZTUSBY-UHFFFAOYSA-N -1 1 355.272 2.730 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC12CCCC2 ZINC001475765735 1061259728 /nfs/dbraw/zinc/25/97/28/1061259728.db2.gz CZAJQFPNOKXFGD-CYBMUJFWSA-N -1 1 360.819 2.628 20 5 FFBDMM COc1cnc(C2(NC(=O)Nc3cccc([N+](=O)[O-])c3)CCCC2)[n-]c1=O ZINC001475938509 1061315603 /nfs/dbraw/zinc/31/56/03/1061315603.db2.gz YTQDXPNKZVIKEH-UHFFFAOYSA-N -1 1 373.369 2.690 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCS2)cc1Cl ZINC001464176845 1062466141 /nfs/dbraw/zinc/46/61/41/1062466141.db2.gz IOUBUMJSVXHUDU-MRVPVSSYSA-N -1 1 368.839 2.951 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCC(C)(C)CO2)cc1F ZINC001464688472 1062762326 /nfs/dbraw/zinc/76/23/26/1062762326.db2.gz PUUMBUJXCSKYLK-LBPRGKRZSA-N -1 1 374.434 2.916 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC001464726145 1062786109 /nfs/dbraw/zinc/78/61/09/1062786109.db2.gz VKBIJSAZVILPTF-AWEZNQCLSA-N -1 1 372.834 2.657 20 5 FFBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001575434561 1078140669 /nfs/dbraw/zinc/14/06/69/1078140669.db2.gz BQQWRVXRLHGQEY-SKVICXGVSA-N -1 1 372.410 2.685 20 5 FFBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001575434561 1078140670 /nfs/dbraw/zinc/14/06/70/1078140670.db2.gz BQQWRVXRLHGQEY-SKVICXGVSA-N -1 1 372.410 2.685 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC001474808238 1065612606 /nfs/dbraw/zinc/61/26/06/1065612606.db2.gz FWBRYBJXHRJCSK-SECBINFHSA-N -1 1 373.337 2.631 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc[nH]2)c1Cl ZINC001475048473 1065685853 /nfs/dbraw/zinc/68/58/53/1065685853.db2.gz WKRSDVLOLXEESH-UHFFFAOYSA-N -1 1 350.183 2.708 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1nc(-c2nnn[n-]2)cs1 ZINC001582803571 1079109579 /nfs/dbraw/zinc/10/95/79/1079109579.db2.gz MFEHHRMACCFDMS-UHFFFAOYSA-N -1 1 372.288 2.829 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1nc(-c2nn[n-]n2)cs1 ZINC001582803571 1079109583 /nfs/dbraw/zinc/10/95/83/1079109583.db2.gz MFEHHRMACCFDMS-UHFFFAOYSA-N -1 1 372.288 2.829 20 5 FFBDMM CN(C)Cc1ccnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC001558946344 1076104870 /nfs/dbraw/zinc/10/48/70/1076104870.db2.gz ZJUAEJDIGSKKEZ-UHFFFAOYSA-N -1 1 350.762 2.663 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2cccnc21 ZINC001561984976 1076460134 /nfs/dbraw/zinc/46/01/34/1076460134.db2.gz BGOHCYJPUPQTMV-LBPRGKRZSA-N -1 1 367.814 2.999 20 5 FFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC001566367013 1076951777 /nfs/dbraw/zinc/95/17/77/1076951777.db2.gz XTYGYCRUMBKZGN-SECBINFHSA-N -1 1 358.379 2.839 20 5 FFBDMM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001589100341 1080354131 /nfs/dbraw/zinc/35/41/31/1080354131.db2.gz ZPLYDYTXLUSEPH-LDYMZIIASA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)(C)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001589100341 1080354136 /nfs/dbraw/zinc/35/41/36/1080354136.db2.gz ZPLYDYTXLUSEPH-LDYMZIIASA-N -1 1 352.420 2.842 20 5 FFBDMM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589800988 1080755811 /nfs/dbraw/zinc/75/58/11/1080755811.db2.gz FSEGBPIGMVPVDV-RNCFNFMXSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@H](COc1ccccc1F)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589885647 1080833949 /nfs/dbraw/zinc/83/39/49/1080833949.db2.gz CPJJMWMNXBVDKC-MRVPVSSYSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@H](COc1ccccc1F)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589885647 1080833954 /nfs/dbraw/zinc/83/39/54/1080833954.db2.gz CPJJMWMNXBVDKC-MRVPVSSYSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@H]1C[C@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590214359 1081096034 /nfs/dbraw/zinc/09/60/34/1081096034.db2.gz MHSQUQDUOAWLOJ-GXSJLCMTSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@H]1C[C@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590214359 1081096042 /nfs/dbraw/zinc/09/60/42/1081096042.db2.gz MHSQUQDUOAWLOJ-GXSJLCMTSA-N -1 1 357.399 2.819 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)s1 ZINC000066000701 506408922 /nfs/dbraw/zinc/40/89/22/506408922.db2.gz OIILRERYGZRWIK-UHFFFAOYSA-N -1 1 352.846 2.892 20 5 FFBDMM CC(C)n1c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)n[n-]c1=S ZINC000066639046 506589787 /nfs/dbraw/zinc/58/97/87/506589787.db2.gz XKHOQJQJZIEUAL-UHFFFAOYSA-N -1 1 360.399 2.841 20 5 FFBDMM COC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008177996 506630558 /nfs/dbraw/zinc/63/05/58/506630558.db2.gz DFVLBOPPTRSACZ-GFCCVEGCSA-N -1 1 365.411 2.842 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000014257040 506983209 /nfs/dbraw/zinc/98/32/09/506983209.db2.gz JREMNOOFRSUYID-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM CCCc1cc(=O)[n-]c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000022930785 507321451 /nfs/dbraw/zinc/32/14/51/507321451.db2.gz SVENKTYALCMPHP-UHFFFAOYSA-N -1 1 374.422 2.724 20 5 FFBDMM COc1ccc2cc(CN(C)C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2c1 ZINC000024155067 507393807 /nfs/dbraw/zinc/39/38/07/507393807.db2.gz QTJJNEFOEFDROT-UHFFFAOYSA-N -1 1 367.361 2.717 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071091993 507694188 /nfs/dbraw/zinc/69/41/88/507694188.db2.gz BUEDWMDLRSGPFW-UHFFFAOYSA-N -1 1 373.394 2.539 20 5 FFBDMM O=C(NCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031422931 507819564 /nfs/dbraw/zinc/81/95/64/507819564.db2.gz ZWCUNOYGTYVMBA-UHFFFAOYSA-N -1 1 363.373 2.845 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)s1 ZINC000115582862 508412594 /nfs/dbraw/zinc/41/25/94/508412594.db2.gz GYDXHQSIBIMLJQ-LBPRGKRZSA-N -1 1 367.452 2.604 20 5 FFBDMM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000116378190 508505272 /nfs/dbraw/zinc/50/52/72/508505272.db2.gz JHGFHSFPCWMBKV-UHFFFAOYSA-N -1 1 359.404 2.712 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000128255522 508568688 /nfs/dbraw/zinc/56/86/88/508568688.db2.gz UAZJHOCRNHTJBJ-NSHDSACASA-N -1 1 374.378 2.684 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122719745 508577696 /nfs/dbraw/zinc/57/76/96/508577696.db2.gz IWCXBKWGNCXARN-SMDDNHRTSA-N -1 1 368.386 2.524 20 5 FFBDMM COCc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000119560932 508819060 /nfs/dbraw/zinc/81/90/60/508819060.db2.gz CGJYHDYRYNFDDV-UHFFFAOYSA-N -1 1 370.814 2.873 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)s1 ZINC000151590167 509048903 /nfs/dbraw/zinc/04/89/03/509048903.db2.gz UVNJYPQYWSYCAT-UHFFFAOYSA-N -1 1 368.436 2.924 20 5 FFBDMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000160969217 509055048 /nfs/dbraw/zinc/05/50/48/509055048.db2.gz JGJNALURDWYTKW-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000185791666 509357071 /nfs/dbraw/zinc/35/70/71/509357071.db2.gz AXLRYSHZWAUATE-KGLIPLIRSA-N -1 1 351.403 2.751 20 5 FFBDMM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000185799991 509360887 /nfs/dbraw/zinc/36/08/87/509360887.db2.gz RAUPVSKCSQNBGX-LLVKDONJSA-N -1 1 365.773 2.936 20 5 FFBDMM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182832185 509446761 /nfs/dbraw/zinc/44/67/61/509446761.db2.gz FMNIWVBYIUFSQF-UONOGXRCSA-N -1 1 363.757 2.609 20 5 FFBDMM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000267601470 509559977 /nfs/dbraw/zinc/55/99/77/509559977.db2.gz DWEZNHVIRYCQIP-JTQLQIEISA-N -1 1 371.440 2.546 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccs1 ZINC000186683016 509850040 /nfs/dbraw/zinc/85/00/40/509850040.db2.gz IVBRURIAJJUNRA-MRVPVSSYSA-N -1 1 361.832 2.787 20 5 FFBDMM COc1ccc(CC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000193503013 509942523 /nfs/dbraw/zinc/94/25/23/509942523.db2.gz UKXXGOXIOOSZDE-UHFFFAOYSA-N -1 1 371.393 2.799 20 5 FFBDMM O=C(N[C@H](c1nccs1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193549335 509961407 /nfs/dbraw/zinc/96/14/07/509961407.db2.gz GMAWHUBSTIDSQF-ZDUSSCGKSA-N -1 1 356.363 2.671 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000269396395 510383446 /nfs/dbraw/zinc/38/34/46/510383446.db2.gz MYEJJZIRDWGGJY-UHFFFAOYSA-N -1 1 367.358 2.798 20 5 FFBDMM COc1cccc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000194936542 510600306 /nfs/dbraw/zinc/60/03/06/510600306.db2.gz WNLJPLOVVHMMBM-UHFFFAOYSA-N -1 1 357.366 2.724 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC000434765119 513423261 /nfs/dbraw/zinc/42/32/61/513423261.db2.gz PTLGMSZREJLTMN-OAHLLOKOSA-N -1 1 367.471 2.507 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N2CCCC2)o1 ZINC000436871072 514016674 /nfs/dbraw/zinc/01/66/74/514016674.db2.gz RXGYPVXKBWWTDK-HNNXBMFYSA-N -1 1 359.382 2.769 20 5 FFBDMM CCc1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1[N+](=O)[O-] ZINC000443674728 514020736 /nfs/dbraw/zinc/02/07/36/514020736.db2.gz OUHQEFMEBFDKJQ-UHFFFAOYSA-N -1 1 360.248 2.737 20 5 FFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000443925630 514072830 /nfs/dbraw/zinc/07/28/30/514072830.db2.gz IUFSWIWMCDIWIH-UFBFGSQYSA-N -1 1 370.349 2.859 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2c(n1)CCCC2 ZINC000414476004 514142037 /nfs/dbraw/zinc/14/20/37/514142037.db2.gz ZBXRTGQISHDBMF-UHFFFAOYSA-N -1 1 365.386 2.539 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccncc2)n1 ZINC000437343263 514143384 /nfs/dbraw/zinc/14/33/84/514143384.db2.gz PKQOHZZRHCPYSJ-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445221467 514445166 /nfs/dbraw/zinc/44/51/66/514445166.db2.gz XESJBGZCSSUUGG-JKSUJKDBSA-N -1 1 371.393 2.809 20 5 FFBDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000466513245 514670343 /nfs/dbraw/zinc/67/03/43/514670343.db2.gz FJKYHQZYKUFCDS-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c1C ZINC000479980371 514796641 /nfs/dbraw/zinc/79/66/41/514796641.db2.gz BGEDWGGPDAUZEI-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1OC ZINC000475811008 514819297 /nfs/dbraw/zinc/81/92/97/514819297.db2.gz BKUYKVIIKKPCIW-UHFFFAOYSA-N -1 1 370.358 2.860 20 5 FFBDMM CCCc1[nH]nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[N+](=O)[O-] ZINC000477138133 515345250 /nfs/dbraw/zinc/34/52/50/515345250.db2.gz VFVPVCGPEOGLDK-UHFFFAOYSA-N -1 1 356.342 2.618 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000510108667 515438604 /nfs/dbraw/zinc/43/86/04/515438604.db2.gz FWOVLSFBYIYGDU-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM O=C(NCc1nc(-c2ccccc2F)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505255486 515488419 /nfs/dbraw/zinc/48/84/19/515488419.db2.gz SZMHYHGAOMHFDA-UHFFFAOYSA-N -1 1 374.353 2.888 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463515826 515531498 /nfs/dbraw/zinc/53/14/98/515531498.db2.gz FXZFENVLTQOAME-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000469396871 515798469 /nfs/dbraw/zinc/79/84/69/515798469.db2.gz CRNDIBNJOUDMCD-STQMWFEESA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000479141243 516076121 /nfs/dbraw/zinc/07/61/21/516076121.db2.gz YRMNXOHSKQGDMY-GFCCVEGCSA-N -1 1 352.334 2.913 20 5 FFBDMM COC[C@](C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000551059689 516545196 /nfs/dbraw/zinc/54/51/96/516545196.db2.gz UPZKHKGCGMHPOG-INIZCTEOSA-N -1 1 350.396 2.903 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2nc3cccnc3s2)cc([N+](=O)[O-])c1 ZINC000513487416 516648428 /nfs/dbraw/zinc/64/84/28/516648428.db2.gz DEACXZNYRQBPFG-UHFFFAOYSA-N -1 1 358.335 2.638 20 5 FFBDMM Cn1[nH]c(-c2ccccc2)c2c([N-]C(=O)c3ccc([N+](=O)[O-])o3)nnc1-2 ZINC000524547312 516750405 /nfs/dbraw/zinc/75/04/05/516750405.db2.gz KBVLGDKIUAZKJW-UHFFFAOYSA-N -1 1 352.310 2.717 20 5 FFBDMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000518866106 516803350 /nfs/dbraw/zinc/80/33/50/516803350.db2.gz OKPAAGHOJXJSNP-UHFFFAOYSA-N -1 1 372.381 2.610 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000541071141 516858219 /nfs/dbraw/zinc/85/82/19/516858219.db2.gz PTACOPPPDZWINS-JTQLQIEISA-N -1 1 364.379 2.728 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cc2ccccc2s1 ZINC000555414138 516916153 /nfs/dbraw/zinc/91/61/53/516916153.db2.gz BAUABMZMWZKZSG-UHFFFAOYSA-N -1 1 363.420 2.726 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000525186387 516951150 /nfs/dbraw/zinc/95/11/50/516951150.db2.gz VTRFFQAYPAKXBI-LSDHHAIUSA-N -1 1 361.423 2.995 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCC1 ZINC000525687886 517116287 /nfs/dbraw/zinc/11/62/87/517116287.db2.gz ZLUGCCHSJHWVND-UHFFFAOYSA-N -1 1 365.386 2.529 20 5 FFBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000541650581 517159201 /nfs/dbraw/zinc/15/92/01/517159201.db2.gz PPISBDLJPUXRCC-UHFFFAOYSA-N -1 1 359.342 2.673 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000533632917 517553879 /nfs/dbraw/zinc/55/38/79/517553879.db2.gz ODQAFZYFBRFWMZ-GFCCVEGCSA-N -1 1 372.834 2.894 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000527326708 517641446 /nfs/dbraw/zinc/64/14/46/517641446.db2.gz CZNLGXSNHSSVCL-GJZGRUSLSA-N -1 1 361.423 2.680 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000522714367 518152808 /nfs/dbraw/zinc/15/28/08/518152808.db2.gz NDXCLZGTEDKJCD-UHFFFAOYSA-N -1 1 366.826 2.942 20 5 FFBDMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000522711341 518153647 /nfs/dbraw/zinc/15/36/47/518153647.db2.gz WNGXTGSJCBPZCT-CYBMUJFWSA-N -1 1 374.372 2.542 20 5 FFBDMM COc1cc2c(cc1Cl)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000573078576 518497159 /nfs/dbraw/zinc/49/71/59/518497159.db2.gz RJOFWDSWGIXTTD-UHFFFAOYSA-N -1 1 363.757 2.556 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000579716604 518818434 /nfs/dbraw/zinc/81/84/34/518818434.db2.gz QIRJNCXGBXERLY-CQSZACIVSA-N -1 1 370.409 2.707 20 5 FFBDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000608857736 520146634 /nfs/dbraw/zinc/14/66/34/520146634.db2.gz AHNBJJWAOFOIPH-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM O=C(NCc1cc(F)cc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604193031 520480160 /nfs/dbraw/zinc/48/01/60/520480160.db2.gz PZFGQCKSZUUOCB-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM COc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000610663107 520785299 /nfs/dbraw/zinc/78/52/99/520785299.db2.gz GSHZUTAALWDARK-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM CCOC(=O)c1cc(C(=O)[N-]c2nc(SC)ns2)cc([N+](=O)[O-])c1 ZINC000598911102 520914327 /nfs/dbraw/zinc/91/43/27/520914327.db2.gz HAPZOAUMMSJFGY-UHFFFAOYSA-N -1 1 368.396 2.597 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CCC(C)C)c([N+](=O)[O-])n1 ZINC000611105511 520986947 /nfs/dbraw/zinc/98/69/47/520986947.db2.gz ZWWSNRRNHYCVLE-QWHCGFSZSA-N -1 1 358.464 2.694 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000611106225 520987343 /nfs/dbraw/zinc/98/73/43/520987343.db2.gz QGRJTQNUTOCSNR-RWMBFGLXSA-N -1 1 358.464 2.550 20 5 FFBDMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618370101 521036671 /nfs/dbraw/zinc/03/66/71/521036671.db2.gz ZZKIUWIJHZFCJO-WMLDXEAASA-N -1 1 371.393 2.935 20 5 FFBDMM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619507488 521602562 /nfs/dbraw/zinc/60/25/62/521602562.db2.gz BCLKRLTXIAXDOJ-LLVKDONJSA-N -1 1 356.322 2.613 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740158103 602653374 /nfs/dbraw/zinc/65/33/74/602653374.db2.gz GEXBWEVSBGAAOC-UHFFFAOYSA-N -1 1 351.340 2.794 20 5 FFBDMM Cc1nn(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830870208 604750257 /nfs/dbraw/zinc/75/02/57/604750257.db2.gz GICVGKODWSNPIY-YPMHNXCESA-N -1 1 361.402 2.579 20 5 FFBDMM O=C([O-])N1CCC2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000834091420 605900485 /nfs/dbraw/zinc/90/04/85/605900485.db2.gz BSALJZGQNDZKJA-UHFFFAOYSA-N -1 1 360.370 2.702 20 5 FFBDMM CC(C)(C)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(-c2nn[nH]n2)s1 ZINC000824129662 608348089 /nfs/dbraw/zinc/34/80/89/608348089.db2.gz DLPKNSUOIVLCQY-UHFFFAOYSA-N -1 1 362.371 2.979 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160157586 728918658 /nfs/dbraw/zinc/91/86/58/728918658.db2.gz CNSBFTCOGRKWMI-SECBINFHSA-N -1 1 356.787 2.993 20 5 FFBDMM Nc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000007357371 727792079 /nfs/dbraw/zinc/79/20/79/727792079.db2.gz MAPPLQQKMWIIHR-UHFFFAOYSA-N -1 1 372.200 2.740 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc([N+](=O)[O-])c1F ZINC000132921820 728725814 /nfs/dbraw/zinc/72/58/14/728725814.db2.gz KMSWRULENMEYLZ-UHFFFAOYSA-N -1 1 352.343 2.873 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000134468978 728730355 /nfs/dbraw/zinc/73/03/55/728730355.db2.gz GOJCSBRODGNYHU-ZENOOKHLSA-N -1 1 362.382 2.598 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000134857353 728733488 /nfs/dbraw/zinc/73/34/88/728733488.db2.gz NISFNWPJSMILHQ-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071678 738513604 /nfs/dbraw/zinc/51/36/04/738513604.db2.gz JTIUZPNFCNCENZ-YPMHNXCESA-N -1 1 350.371 2.637 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1([C@@H]2CCCCO2)CCC1 ZINC000867662221 731210934 /nfs/dbraw/zinc/21/09/34/731210934.db2.gz JIFFKDIVMKTHPV-AWEZNQCLSA-N -1 1 372.418 2.752 20 5 FFBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)OCO2 ZINC000781115849 738599673 /nfs/dbraw/zinc/59/96/73/738599673.db2.gz VGIQHOHSPFENSY-UHFFFAOYSA-N -1 1 368.342 2.880 20 5 FFBDMM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000882587739 733252398 /nfs/dbraw/zinc/25/23/98/733252398.db2.gz FACKFYJIPRVAMI-ZKCHVHJHSA-N -1 1 369.226 2.605 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000729486642 734579357 /nfs/dbraw/zinc/57/93/57/734579357.db2.gz IAHACCPWOQTAMA-UHFFFAOYSA-N -1 1 354.334 2.841 20 5 FFBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000742306280 735223373 /nfs/dbraw/zinc/22/33/73/735223373.db2.gz BOGGQEJWALPUBD-KBPBESRZSA-N -1 1 374.846 2.874 20 5 FFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000742313460 735225535 /nfs/dbraw/zinc/22/55/35/735225535.db2.gz VPVBLROQULLRAD-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000752198095 735965268 /nfs/dbraw/zinc/96/52/68/735965268.db2.gz YSEPCAOJZHSVGA-UHFFFAOYSA-N -1 1 370.818 2.818 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 ZINC000769045546 737489004 /nfs/dbraw/zinc/48/90/04/737489004.db2.gz BTCPRMCLUAHDNL-UHFFFAOYSA-N -1 1 350.714 2.749 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccc(Br)cc2C1 ZINC000770730978 737658487 /nfs/dbraw/zinc/65/84/87/737658487.db2.gz DEGAQDBRJRTLOD-UHFFFAOYSA-N -1 1 364.155 2.614 20 5 FFBDMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918191601 737797570 /nfs/dbraw/zinc/79/75/70/737797570.db2.gz HJUPXOSDMONCDV-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000774810851 738029299 /nfs/dbraw/zinc/02/92/99/738029299.db2.gz SOWFEHUMBNRXIX-SECBINFHSA-N -1 1 369.330 2.682 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)cc1F ZINC000921849896 738055436 /nfs/dbraw/zinc/05/54/36/738055436.db2.gz XDCNTUYCEITQOZ-BLLLJJGKSA-N -1 1 372.418 2.526 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCOC1 ZINC000921856380 738057381 /nfs/dbraw/zinc/05/73/81/738057381.db2.gz RVMHZVGHCYWINS-SMDDNHRTSA-N -1 1 374.846 2.732 20 5 FFBDMM COCCCOC1(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000791419155 739561498 /nfs/dbraw/zinc/56/14/98/739561498.db2.gz PFXJTHITZLRDEQ-UHFFFAOYSA-N -1 1 353.371 2.823 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000798224681 740314136 /nfs/dbraw/zinc/31/41/36/740314136.db2.gz QJHDLBNBXJNCKW-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc([N+](=O)[O-])c1F ZINC000808124924 741189849 /nfs/dbraw/zinc/18/98/49/741189849.db2.gz ACMLTNUEHZHOQE-UHFFFAOYSA-N -1 1 366.326 2.514 20 5 FFBDMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809820902 741348380 /nfs/dbraw/zinc/34/83/80/741348380.db2.gz JFWWVLSRXLKHKU-JTQLQIEISA-N -1 1 371.242 2.587 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809828487 741350390 /nfs/dbraw/zinc/35/03/90/741350390.db2.gz LWZTWOKMBDKVOG-SNVBAGLBSA-N -1 1 369.226 2.605 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c(Cl)cc1Cl ZINC000809832165 741350547 /nfs/dbraw/zinc/35/05/47/741350547.db2.gz MAZJHIKPBJCFBU-QMMMGPOBSA-N -1 1 369.226 2.607 20 5 FFBDMM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831497 741350751 /nfs/dbraw/zinc/35/07/51/741350751.db2.gz FGKRKYFYKHWIHN-YAJNLLPGSA-N -1 1 369.226 2.507 20 5 FFBDMM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832460 741350882 /nfs/dbraw/zinc/35/08/82/741350882.db2.gz PGSCXLPBSCPPEH-JVXZTZIISA-N -1 1 369.226 2.747 20 5 FFBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000813258266 741696634 /nfs/dbraw/zinc/69/66/34/741696634.db2.gz JKUGBIFSSMIWLN-UHFFFAOYSA-N -1 1 353.672 2.821 20 5 FFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)cc1[N+](=O)[O-] ZINC000821131848 742592981 /nfs/dbraw/zinc/59/29/81/742592981.db2.gz DJLSAOQQVJIVRQ-UHFFFAOYSA-N -1 1 368.758 2.772 20 5 FFBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC000824126473 743023375 /nfs/dbraw/zinc/02/33/75/743023375.db2.gz WVWVRPXBBKCSDT-UHFFFAOYSA-N -1 1 357.392 2.626 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830930136 745452350 /nfs/dbraw/zinc/45/23/50/745452350.db2.gz ZLNCQFJVMPKJHS-SECBINFHSA-N -1 1 369.226 2.605 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000831631952 745557606 /nfs/dbraw/zinc/55/76/06/745557606.db2.gz OYGRILAABGZZHX-SNVBAGLBSA-N -1 1 369.226 2.605 20 5 FFBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832690333 745742282 /nfs/dbraw/zinc/74/22/82/745742282.db2.gz FQNVTNVKLAFFEI-ZYHUDNBSSA-N -1 1 366.798 2.623 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000848509861 748946475 /nfs/dbraw/zinc/94/64/75/748946475.db2.gz PAYJMUSLJGOFTF-DGCLKSJQSA-N -1 1 362.835 2.874 20 5 FFBDMM Cc1nnc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848587337 748967536 /nfs/dbraw/zinc/96/75/36/748967536.db2.gz FJELDQNYKNJJQJ-ZETCQYMHSA-N -1 1 358.326 2.604 20 5 FFBDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000849461309 749165535 /nfs/dbraw/zinc/16/55/35/749165535.db2.gz WSKCZQTZBFKJPC-IUCAKERBSA-N -1 1 366.798 2.623 20 5 FFBDMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000014256451 845026849 /nfs/dbraw/zinc/02/68/49/845026849.db2.gz CTAGKDALUAUBQP-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001589606329 949281793 /nfs/dbraw/zinc/28/17/93/949281793.db2.gz KSPBKBWMBOEUSQ-QGZVFWFLSA-N -1 1 360.370 2.722 20 5 FFBDMM CN1CCN(c2cccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2)CC1 ZINC001174504305 1013242035 /nfs/dbraw/zinc/24/20/35/1013242035.db2.gz LCOVDXVQUWLEOD-UHFFFAOYSA-N -1 1 356.382 2.788 20 5 FFBDMM CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768777948 1000346570 /nfs/dbraw/zinc/34/65/70/1000346570.db2.gz KVIAUPRVDOSQPW-MRXNPFEDSA-N -1 1 365.288 2.936 20 5 FFBDMM COc1cccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1[N+](=O)[O-] ZINC000769580559 1000551786 /nfs/dbraw/zinc/55/17/86/1000551786.db2.gz QNMYBNQNLKXFDP-UHFFFAOYSA-N -1 1 371.301 2.772 20 5 FFBDMM Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[C@@H](C)C2)cc1C ZINC000747943826 1006299941 /nfs/dbraw/zinc/29/99/41/1006299941.db2.gz KMKXMZNSQCGNDM-AWEZNQCLSA-N -1 1 370.409 2.663 20 5 FFBDMM CC(C)CO[C@@H](C)c1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780067490 1019383708 /nfs/dbraw/zinc/38/37/08/1019383708.db2.gz GRHPQVVFURYGEO-JTQLQIEISA-N -1 1 365.342 2.774 20 5 FFBDMM O=C(OCc1noc(Cc2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074078 1019551407 /nfs/dbraw/zinc/55/14/07/1019551407.db2.gz GIBGXGBEYDIPFS-UHFFFAOYSA-N -1 1 355.306 2.631 20 5 FFBDMM O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074104 1019557939 /nfs/dbraw/zinc/55/79/39/1019557939.db2.gz CLZBXQAHDXGMOI-MRXNPFEDSA-N -1 1 374.324 2.792 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC001141437509 1026305522 /nfs/dbraw/zinc/30/55/22/1026305522.db2.gz TWHOFMBNZNLHNV-UHFFFAOYSA-N -1 1 369.175 2.840 20 5 FFBDMM CC1(C)CC(=O)c2ccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)cc2O1 ZINC001212893122 1027199018 /nfs/dbraw/zinc/19/90/18/1027199018.db2.gz NGJRWBNOGVYZQZ-UHFFFAOYSA-N -1 1 355.310 2.779 20 5 FFBDMM O=C(NCCc1c[nH]c2c1cccc2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161705782 1028289087 /nfs/dbraw/zinc/28/90/87/1028289087.db2.gz FIMIEILACCUAMS-UHFFFAOYSA-N -1 1 360.757 2.803 20 5 FFBDMM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC001150214776 1031683375 /nfs/dbraw/zinc/68/33/75/1031683375.db2.gz VRGJHASIFUXIIR-UHFFFAOYSA-N -1 1 370.258 2.964 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC(OCCCC[P@@](=O)([O-])O)CC2)cc1 ZINC001225019941 1034096872 /nfs/dbraw/zinc/09/68/72/1034096872.db2.gz CQQOBGLVPDGVOM-UHFFFAOYSA-N -1 1 358.331 2.538 20 5 FFBDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664516 1034359328 /nfs/dbraw/zinc/35/93/28/1034359328.db2.gz PQBGEEACRGHBMO-HOSYDEDBSA-N -1 1 351.359 2.615 20 5 FFBDMM CCN1CC(Oc2c([O-])cc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])C1 ZINC001227700570 1035684507 /nfs/dbraw/zinc/68/45/07/1035684507.db2.gz XUEPNHXWMKFWNY-UHFFFAOYSA-N -1 1 356.378 2.923 20 5 FFBDMM O=[N+]([O-])C[C@@H](Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1)C1CC1 ZINC001228170817 1035971805 /nfs/dbraw/zinc/97/18/05/1035971805.db2.gz CSBAWDPUALDKQU-QGZVFWFLSA-N -1 1 363.391 2.659 20 5 FFBDMM Cc1cc([O-])c(O[C@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229749560 1036868619 /nfs/dbraw/zinc/86/86/19/1036868619.db2.gz DLVQESBUIHBCRR-GFCCVEGCSA-N -1 1 368.386 2.624 20 5 FFBDMM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751524 1036870267 /nfs/dbraw/zinc/87/02/67/1036870267.db2.gz VRKITLXQPGETKP-MELADBBJSA-N -1 1 357.403 2.833 20 5 FFBDMM CC1=C(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)C(=O)O[C@@H]1C ZINC001234124385 1036929063 /nfs/dbraw/zinc/92/90/63/1036929063.db2.gz IEXABTZNHYPNME-MRVPVSSYSA-N -1 1 370.313 2.661 20 5 FFBDMM CC1=C(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)C(=O)O[C@H]1C ZINC001234124387 1036929373 /nfs/dbraw/zinc/92/93/73/1036929373.db2.gz IEXABTZNHYPNME-QMMMGPOBSA-N -1 1 370.313 2.661 20 5 FFBDMM O=C1CCCC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234128827 1036932284 /nfs/dbraw/zinc/93/22/84/1036932284.db2.gz OMZUPIFHUONXRT-ZDUSSCGKSA-N -1 1 356.330 2.954 20 5 FFBDMM CC(=O)N1CCC[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743755 1037162056 /nfs/dbraw/zinc/16/20/56/1037162056.db2.gz GKGJNEOVTWGGRZ-CQSZACIVSA-N -1 1 369.373 2.747 20 5 FFBDMM CC1(C)OC[C@H](COc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)O1 ZINC001234753607 1037169829 /nfs/dbraw/zinc/16/98/29/1037169829.db2.gz QAEFFTCXSNLWID-JTQLQIEISA-N -1 1 374.345 2.593 20 5 FFBDMM CCOC(=O)[C@@H](CCc1ccccc1)Oc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259260 1037513595 /nfs/dbraw/zinc/51/35/95/1037513595.db2.gz IGYLCPVDGOYMRL-OAHLLOKOSA-N -1 1 360.366 2.947 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1F ZINC001309871166 1043565212 /nfs/dbraw/zinc/56/52/12/1043565212.db2.gz JUOPHAUMABFPMR-JCURWCKSSA-N -1 1 362.382 2.659 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CC1 ZINC001309882857 1043570166 /nfs/dbraw/zinc/57/01/66/1043570166.db2.gz JHLBWXBSXNGGLD-AWEZNQCLSA-N -1 1 351.359 2.559 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001302833766 1051208020 /nfs/dbraw/zinc/20/80/20/1051208020.db2.gz CIBHVXSJHISHDS-UHFFFAOYSA-N -1 1 362.773 2.764 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)cc1F ZINC001309388735 1052610653 /nfs/dbraw/zinc/61/06/53/1052610653.db2.gz SOWYHDSZIWMIPE-SECBINFHSA-N -1 1 359.404 2.581 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)cc1F ZINC001309434593 1052618243 /nfs/dbraw/zinc/61/82/43/1052618243.db2.gz WQPDLBBPEVIGHY-RYUDHWBXSA-N -1 1 374.434 2.914 20 5 FFBDMM O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001449642595 1058929624 /nfs/dbraw/zinc/92/96/24/1058929624.db2.gz SNSVOKHFEIPYCC-SECBINFHSA-N -1 1 353.256 2.530 20 5 FFBDMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001450892584 1059058139 /nfs/dbraw/zinc/05/81/39/1059058139.db2.gz BMXVDNOCDSDHNO-HNNXBMFYSA-N -1 1 363.276 2.710 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c(F)cc1[N+](=O)[O-] ZINC001475524765 1061124819 /nfs/dbraw/zinc/12/48/19/1061124819.db2.gz RGTDLCYMSGEDKK-MRVPVSSYSA-N -1 1 371.217 2.905 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccn1 ZINC001464059050 1062405281 /nfs/dbraw/zinc/40/52/81/1062405281.db2.gz BUMXZVWHKBQSOQ-SECBINFHSA-N -1 1 373.793 2.864 20 5 FFBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001464622171 1062720934 /nfs/dbraw/zinc/72/09/34/1062720934.db2.gz GZLFPEOZUJLGFP-UHFFFAOYSA-N -1 1 352.155 2.701 20 5 FFBDMM CN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC001532084996 1062974646 /nfs/dbraw/zinc/97/46/46/1062974646.db2.gz GJOTWCJYIZQYLQ-UHFFFAOYSA-N -1 1 356.367 2.536 20 5 FFBDMM O=C(Nc1cccc([O-])c1Br)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001468252016 1063952512 /nfs/dbraw/zinc/95/25/12/1063952512.db2.gz IQFRRBYVPFZHBD-CYBMUJFWSA-N -1 1 367.155 2.735 20 5 FFBDMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001474926594 1065648666 /nfs/dbraw/zinc/64/86/66/1065648666.db2.gz HTOXDUNUYZMRCX-SECBINFHSA-N -1 1 359.404 2.847 20 5 FFBDMM O=C(N[C@H](c1c[nH]nn1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001577973751 1078417172 /nfs/dbraw/zinc/41/71/72/1078417172.db2.gz URWWMOLREVVFCT-AWEZNQCLSA-N -1 1 373.756 2.591 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001583640963 1079244089 /nfs/dbraw/zinc/24/40/89/1079244089.db2.gz MOKKHFBCWQFOIQ-UHFFFAOYSA-N -1 1 354.322 2.968 20 5 FFBDMM COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)c([O-])c1 ZINC001559006364 1076114739 /nfs/dbraw/zinc/11/47/39/1076114739.db2.gz GEPWYJBBXROGCL-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM CC(C)(C)n1cncc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001559045776 1076120695 /nfs/dbraw/zinc/12/06/95/1076120695.db2.gz WDELRLSAZLYHPT-LBPRGKRZSA-N -1 1 373.413 2.667 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC001566260261 1076939622 /nfs/dbraw/zinc/93/96/22/1076939622.db2.gz ZYQNQVWOGZYMJK-KGLIPLIRSA-N -1 1 361.398 2.840 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001586099924 1079546553 /nfs/dbraw/zinc/54/65/53/1079546553.db2.gz GOIZXMQCQMDKAR-HNNXBMFYSA-N -1 1 366.381 2.553 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2nnc(C(C)C)s2)cc([N+](=O)[O-])c1 ZINC001586796310 1079687125 /nfs/dbraw/zinc/68/71/25/1079687125.db2.gz YOVGPLVLUZTQJX-UHFFFAOYSA-N -1 1 350.356 2.609 20 5 FFBDMM COC(=O)c1cnc(Cl)c([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001587932815 1079893657 /nfs/dbraw/zinc/89/36/57/1079893657.db2.gz ZUVQLOCPGJCEGV-UHFFFAOYSA-N -1 1 353.693 2.821 20 5 FFBDMM CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001589456156 1080542063 /nfs/dbraw/zinc/54/20/63/1080542063.db2.gz AQGXGYTYBNKLHU-CQSZACIVSA-N -1 1 368.401 2.604 20 5 FFBDMM CC(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001589456156 1080542069 /nfs/dbraw/zinc/54/20/69/1080542069.db2.gz AQGXGYTYBNKLHU-CQSZACIVSA-N -1 1 368.401 2.604 20 5 FFBDMM CSc1nnc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC000275681882 256037840 /nfs/dbraw/zinc/03/78/40/256037840.db2.gz ULDVJLHVXULPHM-UHFFFAOYSA-N -1 1 360.367 2.576 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000290177066 257319104 /nfs/dbraw/zinc/31/91/04/257319104.db2.gz QKYGERIANGNVLL-UHFFFAOYSA-N -1 1 361.832 2.616 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)s1 ZINC000066000465 506409274 /nfs/dbraw/zinc/40/92/74/506409274.db2.gz XRCTWYHPGNTNLS-UHFFFAOYSA-N -1 1 365.392 2.790 20 5 FFBDMM Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000054516518 506572923 /nfs/dbraw/zinc/57/29/23/506572923.db2.gz DJRZCQCRPFCFNZ-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)o1 ZINC000135409964 508600462 /nfs/dbraw/zinc/60/04/62/508600462.db2.gz INJNWUMNPXCWFT-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000157920356 508632675 /nfs/dbraw/zinc/63/26/75/508632675.db2.gz WFNGEBLOGCIGCC-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000118438302 508651305 /nfs/dbraw/zinc/65/13/05/508651305.db2.gz UOUMBQDFUVBOND-GWCFXTLKSA-N -1 1 362.473 2.776 20 5 FFBDMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000158773154 508751676 /nfs/dbraw/zinc/75/16/76/508751676.db2.gz HWIWQKANVSXSGK-MRVPVSSYSA-N -1 1 373.818 2.935 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(OC(F)F)cc1 ZINC000119298166 508766896 /nfs/dbraw/zinc/76/68/96/508766896.db2.gz DWBBAHCIXWJLOM-MRVPVSSYSA-N -1 1 353.281 2.788 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(C)noc1C ZINC000119354940 508779246 /nfs/dbraw/zinc/77/92/46/508779246.db2.gz RSULWGCALOQSMP-GFCCVEGCSA-N -1 1 357.363 2.768 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000119570027 508820279 /nfs/dbraw/zinc/82/02/79/508820279.db2.gz HFVBUNZERLVYIV-UHFFFAOYSA-N -1 1 350.404 2.555 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000121542513 509178066 /nfs/dbraw/zinc/17/80/66/509178066.db2.gz QJIYTVHEDUHBBZ-LLVKDONJSA-N -1 1 363.757 2.642 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(=O)[n-]1 ZINC000182416103 509228411 /nfs/dbraw/zinc/22/84/11/509228411.db2.gz NLSHRDWUZRQWQD-UHFFFAOYSA-N -1 1 362.411 2.588 20 5 FFBDMM O=C(C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000185822260 509372310 /nfs/dbraw/zinc/37/23/10/509372310.db2.gz JEEBKNVEKXHAGA-AWEZNQCLSA-N -1 1 355.350 2.573 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000192268454 509435167 /nfs/dbraw/zinc/43/51/67/509435167.db2.gz XGALZYICZVGFHK-WFASDCNBSA-N -1 1 368.436 2.712 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000180184842 509799348 /nfs/dbraw/zinc/79/93/48/509799348.db2.gz FADFXZKGAVEANT-ZDUSSCGKSA-N -1 1 372.349 2.539 20 5 FFBDMM O=C(NCCOc1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193558411 509964382 /nfs/dbraw/zinc/96/43/82/509964382.db2.gz ZSWNLYBTWNCWLC-UHFFFAOYSA-N -1 1 371.271 2.523 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000190169408 509983836 /nfs/dbraw/zinc/98/38/36/509983836.db2.gz BUTPNVHXGYPJKF-UHFFFAOYSA-N -1 1 356.313 2.514 20 5 FFBDMM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193679367 510017527 /nfs/dbraw/zinc/01/75/27/510017527.db2.gz NRGGQVAEFJMWPI-LLVKDONJSA-N -1 1 367.365 2.681 20 5 FFBDMM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131087 510076895 /nfs/dbraw/zinc/07/68/95/510076895.db2.gz OAZULPWOOWSXAM-LSDHHAIUSA-N -1 1 363.414 2.895 20 5 FFBDMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181784933 510590255 /nfs/dbraw/zinc/59/02/55/510590255.db2.gz AEUZAYYMVHXOTG-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178909817 510831739 /nfs/dbraw/zinc/83/17/39/510831739.db2.gz SKFLBRIOIQMQRQ-UHFFFAOYSA-N -1 1 355.803 2.554 20 5 FFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000172678478 510843367 /nfs/dbraw/zinc/84/33/67/510843367.db2.gz YNGYTGVACIQPJQ-UHFFFAOYSA-N -1 1 366.377 2.584 20 5 FFBDMM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271652503 511276784 /nfs/dbraw/zinc/27/67/84/511276784.db2.gz IGVGHBRLHXXMIF-GWCFXTLKSA-N -1 1 362.835 2.730 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000435810890 513690307 /nfs/dbraw/zinc/69/03/07/513690307.db2.gz UUFQAENHHGZHAM-HNNXBMFYSA-N -1 1 364.427 2.549 20 5 FFBDMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000436262044 513812244 /nfs/dbraw/zinc/81/22/44/513812244.db2.gz PZZHCTYYKRIQEP-UHFFFAOYSA-N -1 1 372.406 2.649 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431153295 513840497 /nfs/dbraw/zinc/84/04/97/513840497.db2.gz YHJDJDNORIXCJG-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM COc1ccc([C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426826980 514051097 /nfs/dbraw/zinc/05/10/97/514051097.db2.gz UYWXEIXRPCGTRK-MRXNPFEDSA-N -1 1 364.329 2.667 20 5 FFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000443925628 514072092 /nfs/dbraw/zinc/07/20/92/514072092.db2.gz IUFSWIWMCDIWIH-QPUJVOFHSA-N -1 1 370.349 2.859 20 5 FFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(F)(F)F ZINC000443937497 514075831 /nfs/dbraw/zinc/07/58/31/514075831.db2.gz HPKNZWAQSUPAAH-PELKAZGASA-N -1 1 370.349 2.859 20 5 FFBDMM Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC000432214522 514127723 /nfs/dbraw/zinc/12/77/23/514127723.db2.gz BUMSVCSCWXKZLX-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437375507 514149560 /nfs/dbraw/zinc/14/95/60/514149560.db2.gz UUOGHQYHDPMVEL-MNOVXSKESA-N -1 1 365.292 2.583 20 5 FFBDMM Cc1cc(OCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000438263526 514341454 /nfs/dbraw/zinc/34/14/54/514341454.db2.gz XVLNMHQZTOFKBF-UHFFFAOYSA-N -1 1 358.379 2.794 20 5 FFBDMM Cc1cc(C)c(-c2cc(=NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[nH][nH]2)cc1C ZINC000445194491 514442058 /nfs/dbraw/zinc/44/20/58/514442058.db2.gz OMVZXHMYCFCGNN-UHFFFAOYSA-N -1 1 367.365 2.685 20 5 FFBDMM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)c1c(F)ccc([O-])c1F ZINC000438910879 514465950 /nfs/dbraw/zinc/46/59/50/514465950.db2.gz CLFXKNZTNVUNCZ-UHFFFAOYSA-N -1 1 360.276 2.643 20 5 FFBDMM CC(C)n1c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2ccccc21 ZINC000479583263 514641335 /nfs/dbraw/zinc/64/13/35/514641335.db2.gz FMYGHFPVWAMGJX-UHFFFAOYSA-N -1 1 355.354 2.556 20 5 FFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC3 ZINC000497961906 514702252 /nfs/dbraw/zinc/70/22/52/514702252.db2.gz XRMKUCVLXDWUGB-LLVKDONJSA-N -1 1 366.377 2.772 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1Br ZINC000480025236 514813180 /nfs/dbraw/zinc/81/31/80/514813180.db2.gz YEKPHJZPMYUXQJ-UHFFFAOYSA-N -1 1 367.203 2.879 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000467056106 514880457 /nfs/dbraw/zinc/88/04/57/514880457.db2.gz FSTRWOXLWLCKQZ-SNVBAGLBSA-N -1 1 360.413 2.614 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)s1 ZINC000462364434 515016099 /nfs/dbraw/zinc/01/60/99/515016099.db2.gz VUMBUVTZRZPCTI-UHFFFAOYSA-N -1 1 369.399 2.798 20 5 FFBDMM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])C1 ZINC000512008555 516114348 /nfs/dbraw/zinc/11/43/48/516114348.db2.gz LOKNOAIPVBVHQA-BETUJISGSA-N -1 1 370.409 2.852 20 5 FFBDMM O=C(NCCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507825045 516309043 /nfs/dbraw/zinc/30/90/43/516309043.db2.gz RAJRXOWDLXIHPW-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM COc1cc(OCC(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000543746401 516407375 /nfs/dbraw/zinc/40/73/75/516407375.db2.gz YRHIWYQGNOZGBK-UHFFFAOYSA-N -1 1 352.730 2.980 20 5 FFBDMM C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461988 516935664 /nfs/dbraw/zinc/93/56/64/516935664.db2.gz AWZRCWGJGDQGCO-FOIQADDNSA-N -1 1 372.421 2.843 20 5 FFBDMM O=C(NCCOc1ccc2ccccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000514532595 516937669 /nfs/dbraw/zinc/93/76/69/516937669.db2.gz PLLXPPCQFFJIJA-UHFFFAOYSA-N -1 1 353.334 2.657 20 5 FFBDMM CCc1ccc(C(C)(C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1 ZINC000533180170 517327945 /nfs/dbraw/zinc/32/79/45/517327945.db2.gz CNRINQDRYJJNBY-UHFFFAOYSA-N -1 1 366.443 2.587 20 5 FFBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000553570544 517788784 /nfs/dbraw/zinc/78/87/84/517788784.db2.gz YIJRLVOFHFRGDH-GLEZIHRCSA-N -1 1 370.333 2.674 20 5 FFBDMM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000530951564 518065571 /nfs/dbraw/zinc/06/55/71/518065571.db2.gz OGQMCZLGIXIKBP-UHFFFAOYSA-N -1 1 363.439 2.808 20 5 FFBDMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000582382642 518727172 /nfs/dbraw/zinc/72/71/72/518727172.db2.gz ORYXYKJFQLPQSP-PSLIRLAXSA-N -1 1 352.343 2.534 20 5 FFBDMM O=c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c[nH]1 ZINC000569177996 519415549 /nfs/dbraw/zinc/41/55/49/519415549.db2.gz DIXDQLRKVCTKFK-UHFFFAOYSA-N -1 1 363.273 2.515 20 5 FFBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000578330494 519539109 /nfs/dbraw/zinc/53/91/09/519539109.db2.gz PBTXIOYLOCHMEF-GXSJLCMTSA-N -1 1 374.340 2.542 20 5 FFBDMM CCCCOc1cccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594755045 520135292 /nfs/dbraw/zinc/13/52/92/520135292.db2.gz GDCGIQMGOOQWAV-UHFFFAOYSA-N -1 1 365.411 2.647 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000592091125 520176327 /nfs/dbraw/zinc/17/63/27/520176327.db2.gz COPOJVJCKYEXJQ-OAHLLOKOSA-N -1 1 370.475 2.839 20 5 FFBDMM Cc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243922 521105293 /nfs/dbraw/zinc/10/52/93/521105293.db2.gz FGVSNUJVXJLHJI-AWEZNQCLSA-N -1 1 366.443 2.702 20 5 FFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599434196 521221591 /nfs/dbraw/zinc/22/15/91/521221591.db2.gz UCVILKXOHZQNBP-UHFFFAOYSA-N -1 1 362.276 2.937 20 5 FFBDMM COc1ccc(C[C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000593827356 521234899 /nfs/dbraw/zinc/23/48/99/521234899.db2.gz DCIPTVNLOFSKRE-OAHLLOKOSA-N -1 1 371.393 2.941 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480535 521249122 /nfs/dbraw/zinc/24/91/22/521249122.db2.gz ATRDZZFQWNXCIP-CQSZACIVSA-N -1 1 366.443 2.858 20 5 FFBDMM COc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000738003122 599865912 /nfs/dbraw/zinc/86/59/12/599865912.db2.gz GHGMCDZJKXMTKD-UHFFFAOYSA-N -1 1 366.320 2.968 20 5 FFBDMM Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1[N+](=O)[O-] ZINC000740150479 602653470 /nfs/dbraw/zinc/65/34/70/602653470.db2.gz HMBBABNPQITQOG-UHFFFAOYSA-N -1 1 351.340 2.794 20 5 FFBDMM O=C([O-])N1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739926288 603247403 /nfs/dbraw/zinc/24/74/03/603247403.db2.gz GUDMDVPSYPXHSR-GFCCVEGCSA-N -1 1 362.411 2.950 20 5 FFBDMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000834096412 605943980 /nfs/dbraw/zinc/94/39/80/605943980.db2.gz XMQUOEKGBXCDCR-WBVHZDCISA-N -1 1 371.397 2.633 20 5 FFBDMM CCOCc1ccccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821389548 606644770 /nfs/dbraw/zinc/64/47/70/606644770.db2.gz NWBYZQGSIRMRBJ-UHFFFAOYSA-N -1 1 354.370 2.924 20 5 FFBDMM CN(Cc1cccc2ccccc21)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821614357 606699326 /nfs/dbraw/zinc/69/93/26/606699326.db2.gz BSFSLRMWGZIZOL-UHFFFAOYSA-N -1 1 361.365 2.960 20 5 FFBDMM CN(Cc1cccc2ccccc21)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821614357 606699328 /nfs/dbraw/zinc/69/93/28/606699328.db2.gz BSFSLRMWGZIZOL-UHFFFAOYSA-N -1 1 361.365 2.960 20 5 FFBDMM CC(C)COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820103346 606700726 /nfs/dbraw/zinc/70/07/26/606700726.db2.gz VYZPIFFMYFVQPF-UHFFFAOYSA-N -1 1 369.385 2.817 20 5 FFBDMM CC(C)COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820103346 606700728 /nfs/dbraw/zinc/70/07/28/606700728.db2.gz VYZPIFFMYFVQPF-UHFFFAOYSA-N -1 1 369.385 2.817 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2ccc(F)cc2)CC1 ZINC000823619992 606718378 /nfs/dbraw/zinc/71/83/78/606718378.db2.gz FOAFTROXWIBJFB-UHFFFAOYSA-N -1 1 369.360 2.693 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2ccc(F)cc2)CC1 ZINC000823619992 606718379 /nfs/dbraw/zinc/71/83/79/606718379.db2.gz FOAFTROXWIBJFB-UHFFFAOYSA-N -1 1 369.360 2.693 20 5 FFBDMM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119455195 728594591 /nfs/dbraw/zinc/59/45/91/728594591.db2.gz VQZDBFGLYMVWJW-SECBINFHSA-N -1 1 369.424 2.654 20 5 FFBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]cn2)c(Cc2ccccc2)c1 ZINC000121574922 728631244 /nfs/dbraw/zinc/63/12/44/728631244.db2.gz XKMJLMGVJUPXCL-UHFFFAOYSA-N -1 1 359.363 2.676 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000170662263 728985645 /nfs/dbraw/zinc/98/56/45/728985645.db2.gz GJCOCKLMWJBTRN-LBPRGKRZSA-N -1 1 368.798 2.530 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194343059 729507769 /nfs/dbraw/zinc/50/77/69/729507769.db2.gz HZYNXDVTTGBMNS-UHFFFAOYSA-N -1 1 352.387 2.990 20 5 FFBDMM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194353218 729508150 /nfs/dbraw/zinc/50/81/50/729508150.db2.gz SCHBJHVKFSOYHF-UHFFFAOYSA-N -1 1 368.386 3.000 20 5 FFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000859258367 730447457 /nfs/dbraw/zinc/44/74/57/730447457.db2.gz VFEFYROVHWPBDJ-NSHDSACASA-N -1 1 350.824 2.732 20 5 FFBDMM Cc1cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)cc1F ZINC000780074018 738514040 /nfs/dbraw/zinc/51/40/40/738514040.db2.gz AZBWTNVECZYNBR-UHFFFAOYSA-N -1 1 351.261 2.927 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000725817097 734393261 /nfs/dbraw/zinc/39/32/61/734393261.db2.gz JZUGZHKEHPIIIT-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000725820021 734393701 /nfs/dbraw/zinc/39/37/01/734393701.db2.gz IZVFYPGLTPOMJC-UHFFFAOYSA-N -1 1 369.830 2.663 20 5 FFBDMM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000783877979 738845635 /nfs/dbraw/zinc/84/56/35/738845635.db2.gz WUMGKZHWUKJFDZ-UHFFFAOYSA-N -1 1 368.342 2.751 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccn1 ZINC000736634218 734991178 /nfs/dbraw/zinc/99/11/78/734991178.db2.gz FNJXILGPTJZTMO-AWEZNQCLSA-N -1 1 353.375 2.805 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000758146907 736456422 /nfs/dbraw/zinc/45/64/22/736456422.db2.gz RAUSJPMZDQRIJN-UHFFFAOYSA-N -1 1 366.355 2.503 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]nc1C1CC1 ZINC000758404918 736484704 /nfs/dbraw/zinc/48/47/04/736484704.db2.gz YXKOIZGBCSKLDT-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)n1 ZINC000760324836 736629933 /nfs/dbraw/zinc/62/99/33/736629933.db2.gz DPROKXXSEDSYIV-UHFFFAOYSA-N -1 1 357.775 2.761 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)cc1F ZINC000907658009 736653049 /nfs/dbraw/zinc/65/30/49/736653049.db2.gz FGEFITYIUXCRQV-FGWVZKOKSA-N -1 1 360.432 2.747 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(C2)COC(C)(C)C3)cc1F ZINC000908002610 736701698 /nfs/dbraw/zinc/70/16/98/736701698.db2.gz XQHIBTSPEWTTLH-UHFFFAOYSA-N -1 1 372.418 2.668 20 5 FFBDMM COc1cccc(C2([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000768850615 737467082 /nfs/dbraw/zinc/46/70/82/737467082.db2.gz SHUPNNLRUQUWNI-UHFFFAOYSA-N -1 1 354.409 2.633 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl ZINC000768883601 737471870 /nfs/dbraw/zinc/47/18/70/737471870.db2.gz NCAJUTRODCTAQX-UHFFFAOYSA-N -1 1 362.772 2.809 20 5 FFBDMM CCOc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000920352864 737902821 /nfs/dbraw/zinc/90/28/21/737902821.db2.gz VQLGWYKDMBQECX-UHFFFAOYSA-N -1 1 354.359 2.611 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CC1 ZINC000922102382 738091235 /nfs/dbraw/zinc/09/12/35/738091235.db2.gz RRFBRAXNSFYRII-LBPRGKRZSA-N -1 1 360.819 2.628 20 5 FFBDMM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000786980230 739095179 /nfs/dbraw/zinc/09/51/79/739095179.db2.gz YISSOMJUZBMGMO-UHFFFAOYSA-N -1 1 365.795 2.631 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1 ZINC000788718670 739276083 /nfs/dbraw/zinc/27/60/83/739276083.db2.gz OWPAGLMKWJZUIG-CABCVRRESA-N -1 1 370.452 2.693 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000800158339 740493860 /nfs/dbraw/zinc/49/38/60/740493860.db2.gz PSIQQAOSSMPNPY-GFCCVEGCSA-N -1 1 370.789 2.833 20 5 FFBDMM CCC(O)(CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819341 741348094 /nfs/dbraw/zinc/34/80/94/741348094.db2.gz QOQHFDAQKNJGAZ-UHFFFAOYSA-N -1 1 371.242 2.731 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)cc1Cl ZINC000809840933 741352745 /nfs/dbraw/zinc/35/27/45/741352745.db2.gz ZIEOLIMWGKCDBE-NAZOXTDDSA-N -1 1 351.211 2.978 20 5 FFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1Cl ZINC000811831815 741564848 /nfs/dbraw/zinc/56/48/48/741564848.db2.gz HPHAJYINTNLADK-UHFFFAOYSA-N -1 1 357.731 2.957 20 5 FFBDMM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046817 741890147 /nfs/dbraw/zinc/89/01/47/741890147.db2.gz GPARAKQSZHAMSI-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000815054221 741891613 /nfs/dbraw/zinc/89/16/13/741891613.db2.gz BVLDVVWEDUTGQO-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000817145574 742095427 /nfs/dbraw/zinc/09/54/27/742095427.db2.gz JXPFDAHUSHIOHL-IUCAKERBSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCN2C ZINC000818284408 742258268 /nfs/dbraw/zinc/25/82/68/742258268.db2.gz FFBNXOSUNMSNQP-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000825448394 743272514 /nfs/dbraw/zinc/27/25/14/743272514.db2.gz FASIVYRYDNYFOJ-JTQLQIEISA-N -1 1 365.367 2.724 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1Cl ZINC000830195022 745321966 /nfs/dbraw/zinc/32/19/66/745321966.db2.gz ILRBSVNHCQQNDG-MRVPVSSYSA-N -1 1 369.226 2.749 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(Cl)Cl ZINC000832370400 745686184 /nfs/dbraw/zinc/68/61/84/745686184.db2.gz VYRZJNRMBKYHKV-SECBINFHSA-N -1 1 359.256 2.909 20 5 FFBDMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832511299 745710693 /nfs/dbraw/zinc/71/06/93/745710693.db2.gz SDPCQTIMVOJNQB-NSHDSACASA-N -1 1 369.226 2.605 20 5 FFBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841536883 747389196 /nfs/dbraw/zinc/38/91/96/747389196.db2.gz LAXLWNAFTIVWKR-OCAPTIKFSA-N -1 1 369.226 2.747 20 5 FFBDMM COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])[n-]1 ZINC000845877097 748342872 /nfs/dbraw/zinc/34/28/72/748342872.db2.gz DRZQGTXCEJXPNG-XPTSAGLGSA-N -1 1 350.302 2.504 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CC2(Cl)Cl)s1 ZINC000846021900 748385276 /nfs/dbraw/zinc/38/52/76/748385276.db2.gz MKNZSQPANRCTTM-SSDOTTSWSA-N -1 1 359.256 2.909 20 5 FFBDMM C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000382042773 970975996 /nfs/dbraw/zinc/97/59/96/970975996.db2.gz UUXBQRSPWUMLCH-CZUORRHYSA-N -1 1 355.394 2.693 20 5 FFBDMM Cc1c(NC(=O)[C@H](C)N2CCC[C@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001605085000 972730800 /nfs/dbraw/zinc/73/08/00/972730800.db2.gz RBWPNAZGPNYODA-UONOGXRCSA-N -1 1 363.414 2.807 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001591921034 976392054 /nfs/dbraw/zinc/39/20/54/976392054.db2.gz NIJZZLAHDYBAGX-LLVKDONJSA-N -1 1 360.370 2.557 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ncc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167934798 978183941 /nfs/dbraw/zinc/18/39/41/978183941.db2.gz VOTKMUGPWIPVCB-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM COC[C@@H](C)OC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877734 987978652 /nfs/dbraw/zinc/97/86/52/987978652.db2.gz QNPLTHIBVBWGHN-RKDXNWHRSA-N -1 1 364.192 2.882 20 5 FFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])cc1F ZINC000919569131 990677466 /nfs/dbraw/zinc/67/74/66/990677466.db2.gz APHBAZDJFHVBHL-UHFFFAOYSA-N -1 1 359.265 2.903 20 5 FFBDMM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001212319396 991665656 /nfs/dbraw/zinc/66/56/56/991665656.db2.gz HFBFWUAOGWMNRZ-SNVBAGLBSA-N -1 1 355.803 2.553 20 5 FFBDMM C[C@](NCc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593297867 994708224 /nfs/dbraw/zinc/70/82/24/994708224.db2.gz BFUKZEPJPZSFTN-MRXNPFEDSA-N -1 1 363.301 2.732 20 5 FFBDMM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000844209802 997728548 /nfs/dbraw/zinc/72/85/48/997728548.db2.gz OCPIXRMSPMUIMW-HNNXBMFYSA-N -1 1 369.421 2.933 20 5 FFBDMM CSC1CCC(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001194708690 1004800637 /nfs/dbraw/zinc/80/06/37/1004800637.db2.gz KQACRTPLCHBWCW-UHFFFAOYSA-N -1 1 362.448 2.934 20 5 FFBDMM Cc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC001195603727 1004996993 /nfs/dbraw/zinc/99/69/93/1004996993.db2.gz BGGGFPCXJFLRSK-AAEUAGOBSA-N -1 1 359.348 2.935 20 5 FFBDMM O=C(CSc1nc2cnccc2s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001189729204 1007252867 /nfs/dbraw/zinc/25/28/67/1007252867.db2.gz PKIFKWSHIDPFLL-UHFFFAOYSA-N -1 1 374.403 2.648 20 5 FFBDMM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001275598841 1012671020 /nfs/dbraw/zinc/67/10/20/1012671020.db2.gz XMWDGWHXTIZKIO-UHFFFAOYSA-N -1 1 360.395 2.943 20 5 FFBDMM Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072843 1019490459 /nfs/dbraw/zinc/49/04/59/1019490459.db2.gz VEMDCUIQFKQPIT-JTQLQIEISA-N -1 1 362.313 2.932 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000780074614 1019580342 /nfs/dbraw/zinc/58/03/42/1019580342.db2.gz GXYPJDIEQMIIMI-MLGOLLRUSA-N -1 1 362.382 2.638 20 5 FFBDMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001116299980 1021158745 /nfs/dbraw/zinc/15/87/45/1021158745.db2.gz FLEVHRCFVXBZSB-OAHLLOKOSA-N -1 1 368.349 2.725 20 5 FFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)c2[nH]1 ZINC001159189236 1027303789 /nfs/dbraw/zinc/30/37/89/1027303789.db2.gz IVVGRAKCLSXWKO-UHFFFAOYSA-N -1 1 373.716 2.569 20 5 FFBDMM CS(=O)(=O)c1ccc(NCc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC001164060419 1029160996 /nfs/dbraw/zinc/16/09/96/1029160996.db2.gz GCEQJTRMGXEBQL-UHFFFAOYSA-N -1 1 356.787 2.969 20 5 FFBDMM O=c1cc[n-]c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC001225660011 1034353795 /nfs/dbraw/zinc/35/37/95/1034353795.db2.gz BOQLHTRDTXQUMR-UHFFFAOYSA-N -1 1 360.326 2.651 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@H]3COCCO3)c([N+](=O)[O-])c2)cc1 ZINC001227700393 1035684312 /nfs/dbraw/zinc/68/43/12/1035684312.db2.gz RXUYMYAOPOZUPR-OAHLLOKOSA-N -1 1 373.361 2.634 20 5 FFBDMM O=c1[n-]cnc(O[C@H]2CCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228140311 1035957940 /nfs/dbraw/zinc/95/79/40/1035957940.db2.gz HLLAMCDGFCPMBM-JTQLQIEISA-N -1 1 352.144 2.919 20 5 FFBDMM CC(C)CCOC(=O)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228143655 1035958108 /nfs/dbraw/zinc/95/81/08/1035958108.db2.gz OZEBKABPNOPBGS-CQSZACIVSA-N -1 1 361.354 2.800 20 5 FFBDMM CCOC(=O)[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001233506797 1036664572 /nfs/dbraw/zinc/66/45/72/1036664572.db2.gz RMBWTEAVDTTZLH-SECBINFHSA-N -1 1 367.667 2.997 20 5 FFBDMM CCOC(=O)[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)C(F)(F)F ZINC001233506797 1036664578 /nfs/dbraw/zinc/66/45/78/1036664578.db2.gz RMBWTEAVDTTZLH-SECBINFHSA-N -1 1 367.667 2.997 20 5 FFBDMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001229477138 1036693674 /nfs/dbraw/zinc/69/36/74/1036693674.db2.gz LUKVKSNRAZJOIG-AWEZNQCLSA-N -1 1 357.366 2.946 20 5 FFBDMM Cc1cc([O-])c(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC001229752574 1036870796 /nfs/dbraw/zinc/87/07/96/1036870796.db2.gz BWABFRCKWVEOFC-LBPRGKRZSA-N -1 1 360.326 2.570 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OC[C@@H]4CCCO4)cc([O-])cc3oc21 ZINC001234747951 1037164730 /nfs/dbraw/zinc/16/47/30/1037164730.db2.gz FBZVDJBKSCWTAS-NSHDSACASA-N -1 1 358.346 2.924 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCC23CN(C(=O)OC(C)(C)C)C3)n1 ZINC001231259757 1037513922 /nfs/dbraw/zinc/51/39/22/1037513922.db2.gz PNPBHDJEKQSJIH-GFCCVEGCSA-N -1 1 365.386 2.782 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)n1 ZINC001231260933 1037515697 /nfs/dbraw/zinc/51/56/97/1037515697.db2.gz XCHGQYMVBUPAMY-ZYHUDNBSSA-N -1 1 371.365 2.730 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccncc3)s2)c1[N+](=O)[O-] ZINC001255889239 1038230198 /nfs/dbraw/zinc/23/01/98/1038230198.db2.gz CICRWBSAJFTVLW-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)sn1 ZINC001210400989 1039524563 /nfs/dbraw/zinc/52/45/63/1039524563.db2.gz HTTYLRWYZUHVQW-UHFFFAOYSA-N -1 1 355.441 2.661 20 5 FFBDMM COC(=O)c1cnc([N-]c2ccc(C)cc2[N+](=O)[O-])c(Br)n1 ZINC001214167288 1041285792 /nfs/dbraw/zinc/28/57/92/1041285792.db2.gz DNVMUQWQICJBQV-UHFFFAOYSA-N -1 1 367.159 2.986 20 5 FFBDMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001538091320 1070337549 /nfs/dbraw/zinc/33/75/49/1070337549.db2.gz COIZJGWPPHKHGY-UHFFFAOYSA-N -1 1 367.383 2.670 20 5 FFBDMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC001475391978 1048277337 /nfs/dbraw/zinc/27/73/37/1048277337.db2.gz VDOKMUDLCQIQAN-MEBBXXQBSA-N -1 1 360.407 2.524 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]OCCOc2ccccc2)c1F ZINC001305277481 1051852412 /nfs/dbraw/zinc/85/24/12/1051852412.db2.gz HBOYHPVLOQKVKT-UHFFFAOYSA-N -1 1 352.293 2.922 20 5 FFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001309007113 1052537894 /nfs/dbraw/zinc/53/78/94/1052537894.db2.gz KZCYSRKRWPULGU-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC001309273959 1052589272 /nfs/dbraw/zinc/58/92/72/1052589272.db2.gz BJQINKVLTGMUFM-LLVKDONJSA-N -1 1 374.806 2.678 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)cc1F ZINC001309350830 1052603981 /nfs/dbraw/zinc/60/39/81/1052603981.db2.gz CGXSHUZYCIPRCB-ZDUSSCGKSA-N -1 1 360.407 2.667 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2ncc[nH]2)n1 ZINC001354577951 1059189708 /nfs/dbraw/zinc/18/97/08/1059189708.db2.gz RTKCOCQLNCNIIW-UHFFFAOYSA-N -1 1 351.294 2.972 20 5 FFBDMM COC(=O)CCn1nc(C)c([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC001458516682 1060610170 /nfs/dbraw/zinc/61/01/70/1060610170.db2.gz OZSZLDYSGVNDKB-UHFFFAOYSA-N -1 1 353.766 2.763 20 5 FFBDMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001475488393 1061110004 /nfs/dbraw/zinc/11/00/04/1061110004.db2.gz VDFWGILLHZOIRF-GFCCVEGCSA-N -1 1 360.407 2.526 20 5 FFBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C2CC2)no1 ZINC001526590891 1061177313 /nfs/dbraw/zinc/17/73/13/1061177313.db2.gz MAWHLAAVWUJJMN-UHFFFAOYSA-N -1 1 364.383 2.846 20 5 FFBDMM Cc1ncccc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001475765269 1061260619 /nfs/dbraw/zinc/26/06/19/1061260619.db2.gz UBIOYVGYOQTJQT-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM Cc1c(CNC(=O)NCCc2c(F)cc([O-])cc2F)cccc1[N+](=O)[O-] ZINC001478428876 1062012002 /nfs/dbraw/zinc/01/20/02/1062012002.db2.gz DHVQLKGRSFBZRY-UHFFFAOYSA-N -1 1 365.336 2.929 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)c([N+](=O)[O-])s1 ZINC001464030906 1062390731 /nfs/dbraw/zinc/39/07/31/1062390731.db2.gz YGXUZXAYDKWZPK-MNOVXSKESA-N -1 1 356.828 2.948 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nc(C(C)(C)OC)ns2)c1[N+](=O)[O-] ZINC001531532373 1062794314 /nfs/dbraw/zinc/79/43/14/1062794314.db2.gz SFJCEEXRSYQRDG-UHFFFAOYSA-N -1 1 352.372 2.589 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001467794255 1063854831 /nfs/dbraw/zinc/85/48/31/1063854831.db2.gz RQRCMVWXUKZGMO-ZDUSSCGKSA-N -1 1 360.418 2.508 20 5 FFBDMM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001574692580 1078062854 /nfs/dbraw/zinc/06/28/54/1078062854.db2.gz XDGOARZNJREWJQ-CYBMUJFWSA-N -1 1 372.381 2.844 20 5 FFBDMM COC1CCC(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC001561452950 1076378613 /nfs/dbraw/zinc/37/86/13/1076378613.db2.gz VDJKRZLPWFWQKZ-UHFFFAOYSA-N -1 1 374.434 2.916 20 5 FFBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1)CC2 ZINC001566871031 1076986485 /nfs/dbraw/zinc/98/64/85/1076986485.db2.gz RBZAFXMBBMABCA-UHFFFAOYSA-N -1 1 372.381 2.785 20 5 FFBDMM CNc1nccc(C(=O)Nc2cccc([O-])c2Br)c1[N+](=O)[O-] ZINC001569379035 1077141432 /nfs/dbraw/zinc/14/14/32/1077141432.db2.gz LKROZDURXWJJNO-UHFFFAOYSA-N -1 1 367.159 2.752 20 5 FFBDMM C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C(=O)[O-] ZINC001589355764 1080499274 /nfs/dbraw/zinc/49/92/74/1080499274.db2.gz WLUQEDNVWIYMBN-KOLCDFICSA-N -1 1 357.204 2.900 20 5 FFBDMM CC(C)C[C@H]1OCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589573754 1080613216 /nfs/dbraw/zinc/61/32/16/1080613216.db2.gz MVARWYKBVJQINM-MWLCHTKSSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)C[C@H]1OCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589573754 1080613222 /nfs/dbraw/zinc/61/32/22/1080613222.db2.gz MVARWYKBVJQINM-MWLCHTKSSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)c1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589768161 1080723547 /nfs/dbraw/zinc/72/35/47/1080723547.db2.gz NOKZTVQPRRBCKP-UHFFFAOYSA-N -1 1 368.353 2.650 20 5 FFBDMM CC(C)c1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589768161 1080723553 /nfs/dbraw/zinc/72/35/53/1080723553.db2.gz NOKZTVQPRRBCKP-UHFFFAOYSA-N -1 1 368.353 2.650 20 5 FFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC001589877263 1080825668 /nfs/dbraw/zinc/82/56/68/1080825668.db2.gz WGCRYPOPUWHXAE-LBPRGKRZSA-N -1 1 365.397 2.638 20 5 FFBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC001589877263 1080825673 /nfs/dbraw/zinc/82/56/73/1080825673.db2.gz WGCRYPOPUWHXAE-LBPRGKRZSA-N -1 1 365.397 2.638 20 5 FFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001589984687 1080922359 /nfs/dbraw/zinc/92/23/59/1080922359.db2.gz VCNIDEABWSXDAX-VIFPVBQESA-N -1 1 350.342 2.824 20 5 FFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001589984687 1080922363 /nfs/dbraw/zinc/92/23/63/1080922363.db2.gz VCNIDEABWSXDAX-VIFPVBQESA-N -1 1 350.342 2.824 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000271406599 251784115 /nfs/dbraw/zinc/78/41/15/251784115.db2.gz JAMSCIDYTTVJDH-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288662182 257215784 /nfs/dbraw/zinc/21/57/84/257215784.db2.gz RQJWSGBZRABLPG-UHFFFAOYSA-N -1 1 371.802 2.594 20 5 FFBDMM Cn1c(C2CCN(C(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000097552671 222191192 /nfs/dbraw/zinc/19/11/92/222191192.db2.gz WXICMEJXXQCIPB-VOTSOKGWSA-N -1 1 373.438 2.805 20 5 FFBDMM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000066106247 506423719 /nfs/dbraw/zinc/42/37/19/506423719.db2.gz CJXNDYLFZZBRNO-UHFFFAOYSA-N -1 1 361.470 2.722 20 5 FFBDMM CC(C)n1c(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])n[n-]c1=S ZINC000067074307 506747567 /nfs/dbraw/zinc/74/75/67/506747567.db2.gz GCKOWVKTORHSFU-UHFFFAOYSA-N -1 1 353.379 2.541 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000045774204 507015660 /nfs/dbraw/zinc/01/56/60/507015660.db2.gz HCRMOZOGBWLJDU-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)s1 ZINC000067950227 507064700 /nfs/dbraw/zinc/06/47/00/507064700.db2.gz SZVWWNHMBCCYBX-UHFFFAOYSA-N -1 1 373.481 2.513 20 5 FFBDMM O=C(NCCSc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016497690 507093715 /nfs/dbraw/zinc/09/37/15/507093715.db2.gz BPFYYLARQCKIRG-UHFFFAOYSA-N -1 1 353.787 2.871 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[n-]c(=S)n2C)CC1 ZINC000068429310 507229281 /nfs/dbraw/zinc/22/92/81/507229281.db2.gz ZUOWFZPFRHGTGC-UHFFFAOYSA-N -1 1 361.427 2.714 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncccc1Br ZINC000091369791 507982250 /nfs/dbraw/zinc/98/22/50/507982250.db2.gz BPNCLRUWVKVFGK-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000116361639 508502922 /nfs/dbraw/zinc/50/29/22/508502922.db2.gz JRZYJNLGJFHLMZ-XCBNKYQSSA-N -1 1 360.363 2.769 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122719974 508577511 /nfs/dbraw/zinc/57/75/11/508577511.db2.gz IWCXBKWGNCXARN-BXUZGUMPSA-N -1 1 368.386 2.524 20 5 FFBDMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000154069665 508711206 /nfs/dbraw/zinc/71/12/06/508711206.db2.gz TZSLTAGEBNBIMJ-UHFFFAOYSA-N -1 1 359.404 2.792 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000119352159 508778495 /nfs/dbraw/zinc/77/84/95/508778495.db2.gz SFYCFZGQUNAEBR-GFCCVEGCSA-N -1 1 369.399 2.638 20 5 FFBDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000159909347 508910046 /nfs/dbraw/zinc/91/00/46/508910046.db2.gz UROVXXALQYKKNQ-QMMMGPOBSA-N -1 1 373.818 2.763 20 5 FFBDMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000132092759 508995920 /nfs/dbraw/zinc/99/59/20/508995920.db2.gz NBABDVHZZGGLGG-SNVBAGLBSA-N -1 1 355.354 2.556 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000121377828 509170553 /nfs/dbraw/zinc/17/05/53/509170553.db2.gz QHWPEEAJZJIWCW-UHFFFAOYSA-N -1 1 359.357 2.929 20 5 FFBDMM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000185744947 509334755 /nfs/dbraw/zinc/33/47/55/509334755.db2.gz WVJDXKDYKFBQBW-HNNXBMFYSA-N -1 1 368.411 2.880 20 5 FFBDMM CCCCc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000182726896 509396236 /nfs/dbraw/zinc/39/62/36/509396236.db2.gz SMCRVEMVKOWFLY-UHFFFAOYSA-N -1 1 352.416 2.645 20 5 FFBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000173353630 509549287 /nfs/dbraw/zinc/54/92/87/509549287.db2.gz YCPYZPAIKTZFRY-CQSZACIVSA-N -1 1 368.411 2.725 20 5 FFBDMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685407 509720164 /nfs/dbraw/zinc/72/01/64/509720164.db2.gz DZZGBPBUUKDHBM-LLVKDONJSA-N -1 1 362.773 2.675 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c2ncccc12 ZINC000184871979 510558008 /nfs/dbraw/zinc/55/80/08/510558008.db2.gz PREUAIZQZVTOOH-UHFFFAOYSA-N -1 1 363.326 2.789 20 5 FFBDMM O=C(NCCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175756071 510774492 /nfs/dbraw/zinc/77/44/92/510774492.db2.gz QWLVYTZJRKCRAK-UHFFFAOYSA-N -1 1 370.390 2.791 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412011344 512912096 /nfs/dbraw/zinc/91/20/96/512912096.db2.gz NYJSFMDGLIXXEJ-LJQANCHMSA-N -1 1 372.421 2.920 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH]n2)o1 ZINC000446624817 513299146 /nfs/dbraw/zinc/29/91/46/513299146.db2.gz PELTVRUPSNAUCY-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000447264546 513429559 /nfs/dbraw/zinc/42/95/59/513429559.db2.gz NSKXYTRPOQMMKB-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425296391 513494077 /nfs/dbraw/zinc/49/40/77/513494077.db2.gz GTXLGTBTAKANDV-UONOGXRCSA-N -1 1 374.397 2.658 20 5 FFBDMM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000422043920 513544150 /nfs/dbraw/zinc/54/41/50/513544150.db2.gz JOUUJJPWLCPYFS-UHFFFAOYSA-N -1 1 373.365 2.517 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000443218208 513903709 /nfs/dbraw/zinc/90/37/09/513903709.db2.gz SHPFAZYRUDDJJB-GFCCVEGCSA-N -1 1 368.798 2.920 20 5 FFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000443929102 514073418 /nfs/dbraw/zinc/07/34/18/514073418.db2.gz ODPQUUDHMCWJGV-PELKAZGASA-N -1 1 370.349 2.859 20 5 FFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c([N+](=O)[O-])c2)[n-]c1=O ZINC000432708917 514265070 /nfs/dbraw/zinc/26/50/70/514265070.db2.gz QGKRYKYSNFNEJY-JXMROGBWSA-N -1 1 359.338 2.836 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000427944033 514351255 /nfs/dbraw/zinc/35/12/55/514351255.db2.gz FYSYWHWLLOMKBV-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC3 ZINC000445166222 514433524 /nfs/dbraw/zinc/43/35/24/514433524.db2.gz ZZPCMBDWHFPNPB-GFCCVEGCSA-N -1 1 366.377 2.772 20 5 FFBDMM CCOC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)[O-] ZINC000417611390 514437454 /nfs/dbraw/zinc/43/74/54/514437454.db2.gz VQAUVCQUGRIOAG-AWEZNQCLSA-N -1 1 350.396 2.903 20 5 FFBDMM CC1(C)[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1OCc1ccccc1 ZINC000445221458 514445965 /nfs/dbraw/zinc/44/59/65/514445965.db2.gz XESJBGZCSSUUGG-CVEARBPZSA-N -1 1 371.393 2.809 20 5 FFBDMM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1-n1cncn1 ZINC000445456389 514481873 /nfs/dbraw/zinc/48/18/73/514481873.db2.gz ITVDTXFMRCKVRO-UHFFFAOYSA-N -1 1 368.284 2.737 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C)c(C)c([N+](=O)[O-])c1 ZINC000485997687 515291967 /nfs/dbraw/zinc/29/19/67/515291967.db2.gz CAXQBPMWIFXDCG-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486019948 515299867 /nfs/dbraw/zinc/29/98/67/515299867.db2.gz SVUNLACZHKNRSR-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000481484745 515343054 /nfs/dbraw/zinc/34/30/54/515343054.db2.gz WOFMVLLGYIADRW-SNVBAGLBSA-N -1 1 364.851 2.714 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000499652006 515399171 /nfs/dbraw/zinc/39/91/71/515399171.db2.gz DWCLVQFRPXGMLU-SECBINFHSA-N -1 1 352.334 2.838 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000469054077 515649409 /nfs/dbraw/zinc/64/94/09/515649409.db2.gz TWYXGGSGIBCWQH-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cn1 ZINC000478678997 515921604 /nfs/dbraw/zinc/92/16/04/515921604.db2.gz IYFYGROFNYZLMU-VIFPVBQESA-N -1 1 366.399 2.713 20 5 FFBDMM C[C@H]1CCCN(c2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])C1 ZINC000512011335 516114117 /nfs/dbraw/zinc/11/41/17/516114117.db2.gz RMAKKXAWKHKUNW-LBPRGKRZSA-N -1 1 356.382 2.606 20 5 FFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488214534 516161276 /nfs/dbraw/zinc/16/12/76/516161276.db2.gz JSHOEJGQDSVDQJ-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000558038323 516566429 /nfs/dbraw/zinc/56/64/29/516566429.db2.gz VVKJACFDUJKQSB-UHFFFAOYSA-N -1 1 372.443 2.833 20 5 FFBDMM Cc1ccc(F)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000531768519 516633182 /nfs/dbraw/zinc/63/31/82/516633182.db2.gz PTOGIVIMNPBAIG-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000548197231 516820592 /nfs/dbraw/zinc/82/05/92/516820592.db2.gz DROKONKBOQQNJL-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000545191293 517095177 /nfs/dbraw/zinc/09/51/77/517095177.db2.gz KHHGZXITMYBSCD-SNVBAGLBSA-N -1 1 353.425 2.751 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1 ZINC000549200943 517453822 /nfs/dbraw/zinc/45/38/22/517453822.db2.gz BJPHAIYUDGULQW-UHFFFAOYSA-N -1 1 367.365 2.886 20 5 FFBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1C ZINC000521278849 517678287 /nfs/dbraw/zinc/67/82/87/517678287.db2.gz NSCWMXQHGUGGBZ-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000576815400 518776483 /nfs/dbraw/zinc/77/64/83/518776483.db2.gz CQAYZLVALYSMIO-UHFFFAOYSA-N -1 1 363.273 2.515 20 5 FFBDMM C[C@@H](c1ccncc1)N1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000580315564 519114752 /nfs/dbraw/zinc/11/47/52/519114752.db2.gz ITVLCLRDVZLXIK-LBPRGKRZSA-N -1 1 371.397 2.721 20 5 FFBDMM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000590444746 519234002 /nfs/dbraw/zinc/23/40/02/519234002.db2.gz GTFHBSCRGDTTMN-XVKPBYJWSA-N -1 1 350.762 2.982 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c1[N+](=O)[O-] ZINC000616242922 519953493 /nfs/dbraw/zinc/95/34/93/519953493.db2.gz DDTWZZFENJZVLU-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CC(C)Oc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756238 520137476 /nfs/dbraw/zinc/13/74/76/520137476.db2.gz VNIRTCAPUZTQNT-GFCCVEGCSA-N -1 1 365.411 2.817 20 5 FFBDMM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000594778606 520152407 /nfs/dbraw/zinc/15/24/07/520152407.db2.gz MBYXWKXENUBCAS-UHFFFAOYSA-N -1 1 371.365 2.999 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c1C ZINC000608909252 520160533 /nfs/dbraw/zinc/16/05/33/520160533.db2.gz FPCLAZCLIHODCG-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000608962906 520168759 /nfs/dbraw/zinc/16/87/59/520168759.db2.gz KUUFFIJMHWIXJB-UHFFFAOYSA-N -1 1 374.422 2.673 20 5 FFBDMM CCOc1cc(F)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603981172 520419888 /nfs/dbraw/zinc/41/98/88/520419888.db2.gz OIVMTHCLTYQBON-UHFFFAOYSA-N -1 1 356.331 2.639 20 5 FFBDMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610139942 520557283 /nfs/dbraw/zinc/55/72/83/520557283.db2.gz YUWMJSDEUCMZSQ-PELKAZGASA-N -1 1 351.721 2.774 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000592976172 520667002 /nfs/dbraw/zinc/66/70/02/520667002.db2.gz YTXMGVCXLUGWEM-CQSZACIVSA-N -1 1 370.409 2.707 20 5 FFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598713518 520804873 /nfs/dbraw/zinc/80/48/73/520804873.db2.gz NFSMJFFHENTKOT-UHFFFAOYSA-N -1 1 350.396 2.813 20 5 FFBDMM COc1cc(C(=O)[N-]c2ncn(C(C)C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000593229803 520842452 /nfs/dbraw/zinc/84/24/52/520842452.db2.gz LUDUYVLLMIFQLU-UHFFFAOYSA-N -1 1 371.300 2.630 20 5 FFBDMM O=c1[n-]nc([C@@H]2CCCN(c3c(Br)cccc3[N+](=O)[O-])C2)o1 ZINC000596224407 520978742 /nfs/dbraw/zinc/97/87/42/520978742.db2.gz FFLKZJWJXGQDDS-MRVPVSSYSA-N -1 1 369.175 2.830 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000611253540 521060076 /nfs/dbraw/zinc/06/00/76/521060076.db2.gz IIPKFDLIBRGHTQ-CQSZACIVSA-N -1 1 371.441 2.998 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868372 521910903 /nfs/dbraw/zinc/91/09/03/521910903.db2.gz YLYINSWZZQBORR-LBPRGKRZSA-N -1 1 360.370 2.628 20 5 FFBDMM CN(C)[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000737359055 600075254 /nfs/dbraw/zinc/07/52/54/600075254.db2.gz RJIHZNIGXQUITK-GFCCVEGCSA-N -1 1 364.314 2.509 20 5 FFBDMM C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661691 600522222 /nfs/dbraw/zinc/52/22/22/600522222.db2.gz GXROBFCFPCQALM-STQMWFEESA-N -1 1 371.393 2.649 20 5 FFBDMM CCOCc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821383681 606645010 /nfs/dbraw/zinc/64/50/10/606645010.db2.gz HNBUVPQQTADMMJ-UHFFFAOYSA-N -1 1 354.370 2.924 20 5 FFBDMM O=[N+]([O-])c1cc(NC[C@H](O)c2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000823635480 606645324 /nfs/dbraw/zinc/64/53/24/606645324.db2.gz XQVNWCRXPPAAOH-AWEZNQCLSA-N -1 1 360.761 2.574 20 5 FFBDMM CC(C)COc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820103272 606698929 /nfs/dbraw/zinc/69/89/29/606698929.db2.gz SAXDLZZVXNVANP-UHFFFAOYSA-N -1 1 355.358 2.948 20 5 FFBDMM CC(C)COc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820103272 606698930 /nfs/dbraw/zinc/69/89/30/606698930.db2.gz SAXDLZZVXNVANP-UHFFFAOYSA-N -1 1 355.358 2.948 20 5 FFBDMM Cc1ccc(OCCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822263339 606699833 /nfs/dbraw/zinc/69/98/33/606699833.db2.gz MZQPTLVCKWPMQI-UHFFFAOYSA-N -1 1 369.385 2.749 20 5 FFBDMM Cc1ccc(OCCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822263339 606699834 /nfs/dbraw/zinc/69/98/34/606699834.db2.gz MZQPTLVCKWPMQI-UHFFFAOYSA-N -1 1 369.385 2.749 20 5 FFBDMM Cc1cc(C)cc(C[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822196493 606714057 /nfs/dbraw/zinc/71/40/57/606714057.db2.gz LGVGKWHMIFIDRR-GFCCVEGCSA-N -1 1 353.386 2.830 20 5 FFBDMM Cc1cc(C)cc(C[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822196493 606714058 /nfs/dbraw/zinc/71/40/58/606714058.db2.gz LGVGKWHMIFIDRR-GFCCVEGCSA-N -1 1 353.386 2.830 20 5 FFBDMM COc1ccc(C)cc1CSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821783114 606946891 /nfs/dbraw/zinc/94/68/91/606946891.db2.gz WVTLCQLDRMBRRZ-UHFFFAOYSA-N -1 1 358.383 2.779 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCSc2c(F)cccc21 ZINC000823619900 607165616 /nfs/dbraw/zinc/16/56/16/607165616.db2.gz CTSCOFKCOSQDMI-NSHDSACASA-N -1 1 373.373 2.958 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCSc2c(F)cccc21 ZINC000823619900 607165618 /nfs/dbraw/zinc/16/56/18/607165618.db2.gz CTSCOFKCOSQDMI-NSHDSACASA-N -1 1 373.373 2.958 20 5 FFBDMM CC(C)OCc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820146702 607166705 /nfs/dbraw/zinc/16/67/05/607166705.db2.gz RWJCVDFSNWRZHO-UHFFFAOYSA-N -1 1 369.385 2.707 20 5 FFBDMM CC(C)OCc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820146702 607166707 /nfs/dbraw/zinc/16/67/07/607166707.db2.gz RWJCVDFSNWRZHO-UHFFFAOYSA-N -1 1 369.385 2.707 20 5 FFBDMM CCC(CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039580 727933515 /nfs/dbraw/zinc/93/35/15/727933515.db2.gz ZDLVQFMIEJSKHN-UHFFFAOYSA-N -1 1 351.222 2.824 20 5 FFBDMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039643 727933622 /nfs/dbraw/zinc/93/36/22/727933622.db2.gz VNKDFWOQOWGHCU-QMMMGPOBSA-N -1 1 351.222 2.824 20 5 FFBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc2O1 ZINC000106006593 728509083 /nfs/dbraw/zinc/50/90/83/728509083.db2.gz NBRJURONVLPPNW-SECBINFHSA-N -1 1 352.343 2.858 20 5 FFBDMM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111367765 728536209 /nfs/dbraw/zinc/53/62/09/728536209.db2.gz JOZRLHMLUMKWHB-BMIGLBTASA-N -1 1 350.371 2.946 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116362273 728571361 /nfs/dbraw/zinc/57/13/61/728571361.db2.gz KOYFBKGMXWSRIF-UFBFGSQYSA-N -1 1 372.324 2.847 20 5 FFBDMM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000118438781 728582506 /nfs/dbraw/zinc/58/25/06/728582506.db2.gz OGLILSKODOSFSW-IAQYHMDHSA-N -1 1 374.434 2.854 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000135242984 728736754 /nfs/dbraw/zinc/73/67/54/728736754.db2.gz VPJUVHBLVYSKGX-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM NC(=O)c1cc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)ccc1[O-] ZINC000780933224 738589365 /nfs/dbraw/zinc/58/93/65/738589365.db2.gz IFOCMFJHESRBBM-UHFFFAOYSA-N -1 1 356.363 2.772 20 5 FFBDMM CS(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000732306595 734731900 /nfs/dbraw/zinc/73/19/00/734731900.db2.gz GWXRJRPLFZVEJE-UHFFFAOYSA-N -1 1 370.770 2.610 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000735504500 734949205 /nfs/dbraw/zinc/94/92/05/734949205.db2.gz TVTUQBZGRHNVTM-LLVKDONJSA-N -1 1 354.384 2.859 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc([N+](=O)[O-])c1 ZINC000736194337 734978102 /nfs/dbraw/zinc/97/81/02/734978102.db2.gz ADONPRZEBJQKTC-UHFFFAOYSA-N -1 1 351.296 2.603 20 5 FFBDMM O=C([O-])CCCc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000739712431 735057730 /nfs/dbraw/zinc/05/77/30/735057730.db2.gz VCDCBDQDZXCNGP-UHFFFAOYSA-N -1 1 370.774 2.759 20 5 FFBDMM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751469274 735882278 /nfs/dbraw/zinc/88/22/78/735882278.db2.gz VAXBBZMSBKBQKQ-CYBMUJFWSA-N -1 1 370.814 2.569 20 5 FFBDMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000902553414 735960617 /nfs/dbraw/zinc/96/06/17/735960617.db2.gz CCFCITBNNYTPSV-QLFBSQMISA-N -1 1 359.407 2.871 20 5 FFBDMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000755025190 736227824 /nfs/dbraw/zinc/22/78/24/736227824.db2.gz QOGUBPJQTIAERY-KTKRTIGZSA-N -1 1 360.288 2.610 20 5 FFBDMM COc1cc(F)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1OC ZINC000763088705 736900674 /nfs/dbraw/zinc/90/06/74/736900674.db2.gz ZJHSJBFLLHTRPA-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM Cc1cc(N[C@@H]2CCCN3CCSC[C@H]23)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910386829 737067600 /nfs/dbraw/zinc/06/76/00/737067600.db2.gz PWJQTQAFUUZJHV-IUODEOHRSA-N -1 1 351.428 2.593 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000769672333 737552609 /nfs/dbraw/zinc/55/26/09/737552609.db2.gz QZLQQJBDPTYYDO-UHFFFAOYSA-N -1 1 364.398 2.817 20 5 FFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C(=O)[O-] ZINC000923263378 738263022 /nfs/dbraw/zinc/26/30/22/738263022.db2.gz MFEWSFAUUXVFRR-BXKDBHETSA-N -1 1 357.204 2.900 20 5 FFBDMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000777976190 738337896 /nfs/dbraw/zinc/33/78/96/738337896.db2.gz NOBALVITONVWTA-LBPRGKRZSA-N -1 1 370.333 2.779 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1 ZINC000788718672 739275960 /nfs/dbraw/zinc/27/59/60/739275960.db2.gz OWPAGLMKWJZUIG-HUUCEWRRSA-N -1 1 370.452 2.693 20 5 FFBDMM O=C(OCc1ncc(Br)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000788957465 739302643 /nfs/dbraw/zinc/30/26/43/739302643.db2.gz LZABQEMCJPDBKE-UHFFFAOYSA-N -1 1 359.157 2.876 20 5 FFBDMM COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1F ZINC000794874293 739938465 /nfs/dbraw/zinc/93/84/65/739938465.db2.gz FTLCEAUTAGQBQI-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2cccs2)cc1Cl ZINC000798224377 740314322 /nfs/dbraw/zinc/31/43/22/740314322.db2.gz GNDKODVWVMWHGL-UHFFFAOYSA-N -1 1 364.807 2.970 20 5 FFBDMM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800051574 740478666 /nfs/dbraw/zinc/47/86/66/740478666.db2.gz OLBJDWVPMRTOGT-UHFFFAOYSA-N -1 1 370.358 2.860 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000800929919 740567683 /nfs/dbraw/zinc/56/76/83/740567683.db2.gz ASHOYQKOBBCGEY-UHFFFAOYSA-N -1 1 370.770 2.820 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808342027 741216350 /nfs/dbraw/zinc/21/63/50/741216350.db2.gz ZEQLIQCPJDMSIH-QMTHXVAHSA-N -1 1 370.814 2.649 20 5 FFBDMM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809842022 741352625 /nfs/dbraw/zinc/35/26/25/741352625.db2.gz CBLKPDKJIOEBJT-RCOVLWMOSA-N -1 1 371.267 2.931 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811856426 741568083 /nfs/dbraw/zinc/56/80/83/741568083.db2.gz ORQXNTGDVUPLDM-NSHDSACASA-N -1 1 360.336 2.502 20 5 FFBDMM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815040237 741888744 /nfs/dbraw/zinc/88/87/44/741888744.db2.gz BLKOZJUPSIVTKB-JQWIXIFHSA-N -1 1 366.798 2.623 20 5 FFBDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815041393 741889188 /nfs/dbraw/zinc/88/91/88/741889188.db2.gz BICCGOQSIUFIPR-JTQLQIEISA-N -1 1 354.812 2.560 20 5 FFBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000817881776 742220608 /nfs/dbraw/zinc/22/06/08/742220608.db2.gz OGNCDDDPEJODQI-ZJUUUORDSA-N -1 1 357.204 2.900 20 5 FFBDMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633678 745396132 /nfs/dbraw/zinc/39/61/32/745396132.db2.gz VOMYEDMVQRLUJJ-GFCCVEGCSA-N -1 1 371.242 2.587 20 5 FFBDMM CCOC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831201257 745497630 /nfs/dbraw/zinc/49/76/30/745497630.db2.gz RRDGLHRXNNJFIG-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831501507 745539179 /nfs/dbraw/zinc/53/91/79/745539179.db2.gz OPLIHSWVBKYUHS-SVRRBLITSA-N -1 1 371.267 2.931 20 5 FFBDMM O=C([N-]Cc1nnc(C2CC2)s1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592208 748969328 /nfs/dbraw/zinc/96/93/28/748969328.db2.gz SBSSPMOFUQENGH-UHFFFAOYSA-N -1 1 370.337 2.612 20 5 FFBDMM CCOCc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047671702 845150165 /nfs/dbraw/zinc/15/01/65/845150165.db2.gz CALWPTYYKPUUDR-UHFFFAOYSA-N -1 1 368.386 2.749 20 5 FFBDMM Cc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(=O)[O-] ZINC000872157795 1013158446 /nfs/dbraw/zinc/15/84/46/1013158446.db2.gz UDDZZCUQJZHPED-UHFFFAOYSA-N -1 1 355.394 2.924 20 5 FFBDMM CCC(CC)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCOCC1 ZINC001595106663 979435075 /nfs/dbraw/zinc/43/50/75/979435075.db2.gz VTRAPJQBCJDJBB-KRWDZBQOSA-N -1 1 365.430 2.842 20 5 FFBDMM C[C@H](c1ccccc1)N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910374038 981920261 /nfs/dbraw/zinc/92/02/61/981920261.db2.gz RWBQFFYASVUUJU-CYBMUJFWSA-N -1 1 356.382 2.571 20 5 FFBDMM CN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)C(=O)C(F)(F)F ZINC000918096959 990333312 /nfs/dbraw/zinc/33/33/12/990333312.db2.gz HNCFNHQDTKATCQ-UHFFFAOYSA-N -1 1 370.287 2.696 20 5 FFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc([N+](=O)[O-])ccc1F ZINC000919251399 990597678 /nfs/dbraw/zinc/59/76/78/990597678.db2.gz JHVTVKHUMVHHOX-UHFFFAOYSA-N -1 1 359.265 2.903 20 5 FFBDMM COc1c(C(=O)[N-]c2nc(C(C)(C)OC)ns2)cccc1[N+](=O)[O-] ZINC001132005569 994668804 /nfs/dbraw/zinc/66/88/04/994668804.db2.gz VIBXBNOEUFYMSI-UHFFFAOYSA-N -1 1 352.372 2.589 20 5 FFBDMM C[C@@](NCc1ccnn1CC1CCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593309793 994767798 /nfs/dbraw/zinc/76/77/98/994767798.db2.gz AUBAURNMODTRSL-SFHVURJKSA-N -1 1 358.398 2.681 20 5 FFBDMM COc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC001599406780 997323496 /nfs/dbraw/zinc/32/34/96/997323496.db2.gz CJTCPKRILAKYTI-GFCCVEGCSA-N -1 1 352.387 2.689 20 5 FFBDMM COC(=O)c1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C ZINC001598932448 997791434 /nfs/dbraw/zinc/79/14/34/997791434.db2.gz PUOAZLAPIMAKJB-IBGZPJMESA-N -1 1 372.377 2.779 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001598988716 998717709 /nfs/dbraw/zinc/71/77/09/998717709.db2.gz SPPUKYUDYXLLDU-KRWDZBQOSA-N -1 1 372.377 2.914 20 5 FFBDMM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000769047678 1000413061 /nfs/dbraw/zinc/41/30/61/1000413061.db2.gz PAMPRTSUIFIGMS-NSHDSACASA-N -1 1 374.349 2.876 20 5 FFBDMM O=C1[C@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000804648958 1003757548 /nfs/dbraw/zinc/75/75/48/1003757548.db2.gz PJRUWRAPUSIAOW-CYBMUJFWSA-N -1 1 374.328 2.855 20 5 FFBDMM Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[C@H](C)C2)cc1C ZINC000747943827 1006300333 /nfs/dbraw/zinc/30/03/33/1006300333.db2.gz KMKXMZNSQCGNDM-CQSZACIVSA-N -1 1 370.409 2.663 20 5 FFBDMM C[C@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001188994835 1006836652 /nfs/dbraw/zinc/83/66/52/1006836652.db2.gz JWPANYOSDGAKMU-BLLLJJGKSA-N -1 1 361.423 2.982 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 ZINC000780072221 1019494112 /nfs/dbraw/zinc/49/41/12/1019494112.db2.gz NXHWTUMOELQPGR-UHFFFAOYSA-N -1 1 374.393 2.542 20 5 FFBDMM CCc1c(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000780076502 1019623877 /nfs/dbraw/zinc/62/38/77/1019623877.db2.gz QRIRYVKRDRRQIZ-UHFFFAOYSA-N -1 1 374.349 2.742 20 5 FFBDMM O=c1c2cc(O[C@H]3CNCC(F)(F)C3)c([O-])cc2oc2cccc(O)c12 ZINC001218274553 1033079469 /nfs/dbraw/zinc/07/94/69/1033079469.db2.gz RFLFPRZWMDCNIL-SECBINFHSA-N -1 1 363.316 2.733 20 5 FFBDMM O=[N+]([O-])c1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc2[nH]ccc21 ZINC001157159557 1029486067 /nfs/dbraw/zinc/48/60/67/1029486067.db2.gz KNUOPQDQZZVCTN-UHFFFAOYSA-N -1 1 374.293 2.556 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C(C)=O)c1ccccc1 ZINC001226310673 1034624745 /nfs/dbraw/zinc/62/47/45/1034624745.db2.gz PYFHUKDWUXVETL-AWEZNQCLSA-N -1 1 360.322 2.581 20 5 FFBDMM CC1(C)COC(=O)[C@@H]1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306425 1035500711 /nfs/dbraw/zinc/50/07/11/1035500711.db2.gz JYPLDWHFOHIRIT-KRWDZBQOSA-N -1 1 356.330 2.688 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3COCOC3)c([N+](=O)[O-])c2)cc1 ZINC001227700620 1035684483 /nfs/dbraw/zinc/68/44/83/1035684483.db2.gz ZAPHHTZQCMWSEQ-UHFFFAOYSA-N -1 1 359.334 2.592 20 5 FFBDMM CCC[C@H](CC(=O)OC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861047 1036366477 /nfs/dbraw/zinc/36/64/77/1036366477.db2.gz ZYGKMKOCVKKULC-SSDOTTSWSA-N -1 1 352.265 2.825 20 5 FFBDMM CC1(C)OC[C@H](CCOc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])O1 ZINC001228862013 1036366621 /nfs/dbraw/zinc/36/66/21/1036366621.db2.gz JQJWTIRTIFGQDL-ZETCQYMHSA-N -1 1 352.265 2.635 20 5 FFBDMM Cc1nc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377877 1036640412 /nfs/dbraw/zinc/64/04/12/1036640412.db2.gz GGMIMGQTXBRYGL-ZDUSSCGKSA-N -1 1 364.789 2.706 20 5 FFBDMM Cc1nc(O[C@H]2COc3c2cccc3Br)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229379031 1036640646 /nfs/dbraw/zinc/64/06/46/1036640646.db2.gz OVKYHQQZLJZUKO-VIFPVBQESA-N -1 1 368.143 2.674 20 5 FFBDMM Cc1nc(OCc2cc(Cl)cnc2OC(C)C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378199 1036640882 /nfs/dbraw/zinc/64/08/82/1036640882.db2.gz ITXZDPRQWSWDSM-UHFFFAOYSA-N -1 1 354.750 2.813 20 5 FFBDMM CC(C)C(=O)N1CC(Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229516587 1036717279 /nfs/dbraw/zinc/71/72/79/1036717279.db2.gz KGOMBNGTGZPCNR-UHFFFAOYSA-N -1 1 353.374 2.897 20 5 FFBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1ncccn1 ZINC001234117981 1036923443 /nfs/dbraw/zinc/92/34/43/1036923443.db2.gz AFTGFQYALGCIGQ-VIFPVBQESA-N -1 1 366.329 2.993 20 5 FFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H](C[N+](=O)[O-])C3CC3)c12 ZINC001234741442 1037161265 /nfs/dbraw/zinc/16/12/65/1037161265.db2.gz IHXSUTRCGHSNHS-HNNXBMFYSA-N -1 1 357.318 2.792 20 5 FFBDMM CC1(C)COC(=O)[C@@H]1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234740722 1037162312 /nfs/dbraw/zinc/16/23/12/1037162312.db2.gz AQMLTHVAMOZIMC-KRWDZBQOSA-N -1 1 356.330 2.688 20 5 FFBDMM CC(C)C(=O)N1CC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234748159 1037164519 /nfs/dbraw/zinc/16/45/19/1037164519.db2.gz PTNVZYVRRCTZKL-UHFFFAOYSA-N -1 1 369.373 2.603 20 5 FFBDMM O=c1c2ccc(O)c(O[C@H]3CCOC[C@@H]3F)c2oc2cc([O-])cc(O)c12 ZINC001234749180 1037165768 /nfs/dbraw/zinc/16/57/68/1037165768.db2.gz MLMGXXOTCSRHLQ-GWCFXTLKSA-N -1 1 362.309 2.569 20 5 FFBDMM O=c1c2ccc(O)c(OC3CC4(COC4)C3)c2oc2cc([O-])cc(O)c12 ZINC001234750250 1037166806 /nfs/dbraw/zinc/16/68/06/1037166806.db2.gz IHLSTGHDPDFHPZ-UHFFFAOYSA-N -1 1 356.330 2.621 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001231259121 1037513087 /nfs/dbraw/zinc/51/30/87/1037513087.db2.gz GKEJUDHZCCYAQO-PHIMTYICSA-N -1 1 353.375 2.781 20 5 FFBDMM CCOC(=O)[C@@H](C)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001231261180 1037515404 /nfs/dbraw/zinc/51/54/04/1037515404.db2.gz ZFYNWIOBGHKKPW-OIBJUYFYSA-N -1 1 352.265 2.513 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(-c3cnn(C)c3)ns2)c1F ZINC001537457964 1070189057 /nfs/dbraw/zinc/18/90/57/1070189057.db2.gz TUYWPVPNGYICAR-UHFFFAOYSA-N -1 1 362.346 2.547 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)nc(N3CCOCC3)c2)ccc1[O-] ZINC001210396448 1039522606 /nfs/dbraw/zinc/52/26/06/1039522606.db2.gz SAMVRLLZWIUGBX-UHFFFAOYSA-N -1 1 350.762 2.929 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)cc1F ZINC001213450763 1040564067 /nfs/dbraw/zinc/56/40/67/1040564067.db2.gz JKGHIULQUJLPCF-MLGOLLRUSA-N -1 1 372.418 2.526 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc2c(s1)CCCC2 ZINC001213643366 1040756041 /nfs/dbraw/zinc/75/60/41/1040756041.db2.gz AUUKHIGZUDSICZ-UHFFFAOYSA-N -1 1 371.415 2.548 20 5 FFBDMM COc1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC001250875147 1041414173 /nfs/dbraw/zinc/41/41/73/1041414173.db2.gz ZJARXHOEZIPSSM-UHFFFAOYSA-N -1 1 370.365 2.689 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001302295218 1051075128 /nfs/dbraw/zinc/07/51/28/1051075128.db2.gz JHYDYROJWGOYMD-SFHVURJKSA-N -1 1 364.361 2.811 20 5 FFBDMM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1-c1ccc2c(c1)OCCO2 ZINC001306084357 1052009665 /nfs/dbraw/zinc/00/96/65/1052009665.db2.gz XPXJEQGUKAUACG-UHFFFAOYSA-N -1 1 369.337 2.645 20 5 FFBDMM O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc([O-])cn1 ZINC001451528253 1059124396 /nfs/dbraw/zinc/12/43/96/1059124396.db2.gz LYAKBVAHRJLMOB-GFCCVEGCSA-N -1 1 359.235 2.868 20 5 FFBDMM O=C(CCOc1ccccc1[N+](=O)[O-])NCCc1c(F)cc([O-])cc1F ZINC001456189251 1060043935 /nfs/dbraw/zinc/04/39/35/1060043935.db2.gz ACMDIFLQXRNHEG-UHFFFAOYSA-N -1 1 366.320 2.706 20 5 FFBDMM CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475605692 1061161525 /nfs/dbraw/zinc/16/15/25/1061161525.db2.gz WSEYDFZWIISXNF-HTQZYQBOSA-N -1 1 371.242 2.729 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC(C)(C)OC2(C)C)cc1F ZINC001475719404 1061232024 /nfs/dbraw/zinc/23/20/24/1061232024.db2.gz HIYRETYNPMQOEF-LLVKDONJSA-N -1 1 374.434 2.914 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)cc1F ZINC001463375007 1062073613 /nfs/dbraw/zinc/07/36/13/1062073613.db2.gz KBMNBYCHCKOYAC-UHFFFAOYSA-N -1 1 371.415 2.855 20 5 FFBDMM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001464059502 1062405317 /nfs/dbraw/zinc/40/53/17/1062405317.db2.gz UPBKTMFDBSPDPQ-UHFFFAOYSA-N -1 1 371.390 2.941 20 5 FFBDMM COc1ccccc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC001436380203 1062707983 /nfs/dbraw/zinc/70/79/83/1062707983.db2.gz QOUBUDFUCPVLOO-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM O=C([N-][C@@H](CO)c1ccc(F)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001470401635 1064322508 /nfs/dbraw/zinc/32/25/08/1064322508.db2.gz WPTAXNARNPQFRP-AWEZNQCLSA-N -1 1 372.274 2.815 20 5 FFBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CCC2)cc1 ZINC001472206623 1064971978 /nfs/dbraw/zinc/97/19/78/1064971978.db2.gz GJFSAWFNPADIOR-INIZCTEOSA-N -1 1 357.366 2.975 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC001474808239 1065612539 /nfs/dbraw/zinc/61/25/39/1065612539.db2.gz FWBRYBJXHRJCSK-VIFPVBQESA-N -1 1 373.337 2.631 20 5 FFBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1c[n-]nc1Cl ZINC001474969129 1065659054 /nfs/dbraw/zinc/65/90/54/1065659054.db2.gz TVDONBICPPWQSN-UHFFFAOYSA-N -1 1 352.155 2.701 20 5 FFBDMM O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(-c2nn[n-]n2)o1 ZINC001582643060 1079084540 /nfs/dbraw/zinc/08/45/40/1079084540.db2.gz ZVMKFFOVMJFVCD-UHFFFAOYSA-N -1 1 350.294 2.773 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@H](c2ccccc2F)C1 ZINC001582804982 1079111442 /nfs/dbraw/zinc/11/14/42/1079111442.db2.gz UMNOCFJWCDQOKK-SECBINFHSA-N -1 1 360.374 2.969 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@H](c2ccccc2F)C1 ZINC001582804982 1079111444 /nfs/dbraw/zinc/11/14/44/1079111444.db2.gz UMNOCFJWCDQOKK-SECBINFHSA-N -1 1 360.374 2.969 20 5 FFBDMM O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([O-])cc1F ZINC001558316382 1075978578 /nfs/dbraw/zinc/97/85/78/1075978578.db2.gz XJHWUUBDYJEQPC-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM CCOc1ccc(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001558994504 1076111014 /nfs/dbraw/zinc/11/10/14/1076111014.db2.gz OQUOMKUUKSSIOC-LBPRGKRZSA-N -1 1 359.382 2.703 20 5 FFBDMM CC(C)(C)n1cncc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001559045775 1076120853 /nfs/dbraw/zinc/12/08/53/1076120853.db2.gz WDELRLSAZLYHPT-GFCCVEGCSA-N -1 1 373.413 2.667 20 5 FFBDMM COc1cnc([C@H]2CCCN2C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)[n-]c1=O ZINC001563388333 1076549398 /nfs/dbraw/zinc/54/93/98/1076549398.db2.gz SFRRHMXJDXXZKL-CYBMUJFWSA-N -1 1 373.369 2.776 20 5 FFBDMM C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@@H]1C(=O)[O-] ZINC001589355768 1080499414 /nfs/dbraw/zinc/49/94/14/1080499414.db2.gz WLUQEDNVWIYMBN-ONGXEEELSA-N -1 1 357.204 2.900 20 5 FFBDMM CC(C)Oc1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC001589750465 1080702289 /nfs/dbraw/zinc/70/22/89/1080702289.db2.gz CGHOEKMCNDNTIQ-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM CC(C)Oc1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC001589750465 1080702295 /nfs/dbraw/zinc/70/22/95/1080702295.db2.gz CGHOEKMCNDNTIQ-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)c1OC ZINC000277237393 256175537 /nfs/dbraw/zinc/17/55/37/256175537.db2.gz IYTSRASCUBXMPC-OAHLLOKOSA-N -1 1 360.366 2.918 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c(Cl)cc1Cl ZINC000289640774 257291488 /nfs/dbraw/zinc/29/14/88/257291488.db2.gz ZKWWWHGCXWEZRX-QMMMGPOBSA-N -1 1 369.226 2.607 20 5 FFBDMM O=C(c1cc(Cl)ccc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000031256850 136117313 /nfs/dbraw/zinc/11/73/13/136117313.db2.gz DXMBOJAUVZRJED-UHFFFAOYSA-N -1 1 361.785 2.916 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000032631114 506271238 /nfs/dbraw/zinc/27/12/38/506271238.db2.gz PYTZOCQPWRPELC-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM Cc1ccc2cccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2n1 ZINC000066235518 506454412 /nfs/dbraw/zinc/45/44/12/506454412.db2.gz WNKFILHIBDFLED-UHFFFAOYSA-N -1 1 359.363 2.958 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000067116679 506760294 /nfs/dbraw/zinc/76/02/94/506760294.db2.gz OUOFYDZSPMPBEX-UHFFFAOYSA-N -1 1 366.395 2.975 20 5 FFBDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000093930466 508161822 /nfs/dbraw/zinc/16/18/22/508161822.db2.gz PLXOCYHWKRXFQY-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104760504 508345292 /nfs/dbraw/zinc/34/52/92/508345292.db2.gz JWHQEMXDAKNAIS-LLVKDONJSA-N -1 1 371.440 2.798 20 5 FFBDMM CC(C)n1c(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]c1=S ZINC000087335482 508348026 /nfs/dbraw/zinc/34/80/26/508348026.db2.gz WVTIRQSRDVTWKU-UHFFFAOYSA-N -1 1 363.443 2.721 20 5 FFBDMM O=C(NCc1cccc(-c2ccccn2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120980445 509101887 /nfs/dbraw/zinc/10/18/87/509101887.db2.gz INSQJQWWVUXTEM-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CCCO)c1ccccc1 ZINC000121395134 509171595 /nfs/dbraw/zinc/17/15/95/509171595.db2.gz HFKNNDQWRAEPGC-CQSZACIVSA-N -1 1 368.386 2.526 20 5 FFBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000185719918 509323636 /nfs/dbraw/zinc/32/36/36/509323636.db2.gz YWBOMZCUPRKJCT-KBPBESRZSA-N -1 1 351.403 2.751 20 5 FFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000182727608 509395289 /nfs/dbraw/zinc/39/52/89/509395289.db2.gz JKVYGEYPFIHJPQ-UHFFFAOYSA-N -1 1 366.443 2.891 20 5 FFBDMM COc1ccccc1C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000187001504 509998455 /nfs/dbraw/zinc/99/84/55/509998455.db2.gz RDZKCVVISFQGCS-UHFFFAOYSA-N -1 1 371.393 2.946 20 5 FFBDMM O=C(NCCc1cc(Cl)cc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187026281 510013803 /nfs/dbraw/zinc/01/38/03/510013803.db2.gz QEUTXCMQAFPSHN-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM Cc1ccc(OC(F)F)c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193689238 510021066 /nfs/dbraw/zinc/02/10/66/510021066.db2.gz GKYBBADIUHFDII-UHFFFAOYSA-N -1 1 353.281 2.535 20 5 FFBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000294113162 510960317 /nfs/dbraw/zinc/96/03/17/510960317.db2.gz JWDSRFYRLKOERT-UHFFFAOYSA-N -1 1 352.347 2.732 20 5 FFBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289751705 511113497 /nfs/dbraw/zinc/11/34/97/511113497.db2.gz GMCZPJJUBUQHJV-AWEZNQCLSA-N -1 1 370.452 2.694 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283001464 511194645 /nfs/dbraw/zinc/19/46/45/511194645.db2.gz KTJGHGAXCMLRNO-NSHDSACASA-N -1 1 359.304 2.890 20 5 FFBDMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000283084543 511229592 /nfs/dbraw/zinc/22/95/92/511229592.db2.gz UWMREPWWTMGZNA-UHFFFAOYSA-N -1 1 366.395 2.545 20 5 FFBDMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000295302339 511355680 /nfs/dbraw/zinc/35/56/80/511355680.db2.gz KHKHWAJDUNONRO-SECBINFHSA-N -1 1 358.807 2.504 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2=CCCOC2)c1Cl ZINC000295905838 511550902 /nfs/dbraw/zinc/55/09/02/511550902.db2.gz HEWVZPZBHNVXRE-UHFFFAOYSA-N -1 1 367.210 2.527 20 5 FFBDMM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365788983 511653374 /nfs/dbraw/zinc/65/33/74/511653374.db2.gz MJUATGZJRANPBO-AWEZNQCLSA-N -1 1 371.397 2.814 20 5 FFBDMM CCc1cccc2c(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c[nH]c21 ZINC000303485507 511739528 /nfs/dbraw/zinc/73/95/28/511739528.db2.gz QYGFVAYTPRRRAC-UHFFFAOYSA-N -1 1 354.366 2.712 20 5 FFBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000311312595 511776658 /nfs/dbraw/zinc/77/66/58/511776658.db2.gz SFKFGPJDIYIMIF-OAHLLOKOSA-N -1 1 355.394 2.695 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1Cl ZINC000296747279 511880599 /nfs/dbraw/zinc/88/05/99/511880599.db2.gz PIRPIHGAPFPWNS-QMMMGPOBSA-N -1 1 369.226 2.607 20 5 FFBDMM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000274884832 511976238 /nfs/dbraw/zinc/97/62/38/511976238.db2.gz PQRUJKMAWHSKBR-UHFFFAOYSA-N -1 1 354.366 2.864 20 5 FFBDMM CON(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCOc2ccccc21 ZINC000376415651 512810038 /nfs/dbraw/zinc/81/00/38/512810038.db2.gz PMPUNQRAOCXBNI-ZDUSSCGKSA-N -1 1 359.338 2.613 20 5 FFBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376561239 512875208 /nfs/dbraw/zinc/87/52/08/512875208.db2.gz JZDFYEZBROBMKL-OAHLLOKOSA-N -1 1 355.394 2.695 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000368385018 512923061 /nfs/dbraw/zinc/92/30/61/512923061.db2.gz ZTLSPXVCKOFLRR-UHFFFAOYSA-N -1 1 361.304 2.903 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000451085496 513508513 /nfs/dbraw/zinc/50/85/13/513508513.db2.gz SIXTXQAJUSXQIG-VIFPVBQESA-N -1 1 373.175 2.679 20 5 FFBDMM CSc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000435606881 513634262 /nfs/dbraw/zinc/63/42/62/513634262.db2.gz YFDACDFSXFBOAZ-UHFFFAOYSA-N -1 1 358.466 2.899 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(CO)CCCC1 ZINC000416506648 513807152 /nfs/dbraw/zinc/80/71/52/513807152.db2.gz GZFGJEWUEADASB-CYBMUJFWSA-N -1 1 362.473 2.512 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000451825532 514005804 /nfs/dbraw/zinc/00/58/04/514005804.db2.gz QTVJBVZQQYVIIW-QMMMGPOBSA-N -1 1 354.762 2.962 20 5 FFBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436917650 514034365 /nfs/dbraw/zinc/03/43/65/514034365.db2.gz XQMQFTWDEKCFHX-UHFFFAOYSA-N -1 1 374.744 2.695 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000451957166 514093135 /nfs/dbraw/zinc/09/31/35/514093135.db2.gz IQNLKQKWHRKKOF-UHFFFAOYSA-N -1 1 359.791 2.667 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c(C)cc1[N+](=O)[O-] ZINC000414439484 514116565 /nfs/dbraw/zinc/11/65/65/514116565.db2.gz GCFRUMQZXCJTRA-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000427626871 514268665 /nfs/dbraw/zinc/26/86/65/514268665.db2.gz UOTUOTRHRMWGIL-UHFFFAOYSA-N -1 1 373.337 2.576 20 5 FFBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cn1 ZINC000439128072 514497939 /nfs/dbraw/zinc/49/79/39/514497939.db2.gz LWMRJDZCHJJZAE-UHFFFAOYSA-N -1 1 360.351 2.702 20 5 FFBDMM CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccc(F)cc2O1 ZINC000489116686 514716825 /nfs/dbraw/zinc/71/68/25/514716825.db2.gz NQILTWLSSMILEL-ZDUSSCGKSA-N -1 1 361.329 2.867 20 5 FFBDMM Cc1sc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)cc1[N+](=O)[O-] ZINC000466958781 514842551 /nfs/dbraw/zinc/84/25/51/514842551.db2.gz CXTAPNMAPQIJKX-UHFFFAOYSA-N -1 1 352.397 2.950 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486555618 515535330 /nfs/dbraw/zinc/53/53/30/515535330.db2.gz JMMZNVITBFGDFO-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1[N+](=O)[O-] ZINC000505731283 515648378 /nfs/dbraw/zinc/64/83/78/515648378.db2.gz KQILMUCLTWIMHY-UHFFFAOYSA-N -1 1 360.322 2.738 20 5 FFBDMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000474371091 516016908 /nfs/dbraw/zinc/01/69/08/516016908.db2.gz KTNBOCXIEUQKSH-UHFFFAOYSA-N -1 1 362.363 2.828 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000543685258 516365561 /nfs/dbraw/zinc/36/55/61/516365561.db2.gz ZDBQTDBIEJVWLR-NSHDSACASA-N -1 1 370.349 2.859 20 5 FFBDMM COc1cc(CN=c2[n-]nc(-c3ccccc3C)o2)cc([N+](=O)[O-])c1O ZINC000551337877 516664877 /nfs/dbraw/zinc/66/48/77/516664877.db2.gz OHUGIWYPWZEUTQ-UHFFFAOYSA-N -1 1 356.338 2.701 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000540737832 516691888 /nfs/dbraw/zinc/69/18/88/516691888.db2.gz QCXAGYPSUSJESS-UHFFFAOYSA-N -1 1 358.464 2.694 20 5 FFBDMM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH][n-]1 ZINC000532145579 516825490 /nfs/dbraw/zinc/82/54/90/516825490.db2.gz OLEWYHKPCLJZQT-UHFFFAOYSA-N -1 1 373.756 2.716 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Cc2ccccc2F)CC1 ZINC000532285653 516890455 /nfs/dbraw/zinc/89/04/55/516890455.db2.gz XUCMYLXAJNOSCI-UHFFFAOYSA-N -1 1 359.357 2.929 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c([N+](=O)[O-])n1 ZINC000555410249 516913655 /nfs/dbraw/zinc/91/36/55/516913655.db2.gz CSJGODQIDSVGJQ-UHFFFAOYSA-N -1 1 366.424 2.504 20 5 FFBDMM CC(C)(c1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1)c1ccccc1 ZINC000548741638 517181651 /nfs/dbraw/zinc/18/16/51/517181651.db2.gz BNVVZWZTUVDVGW-UHFFFAOYSA-N -1 1 358.383 2.748 20 5 FFBDMM C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548842338 517248600 /nfs/dbraw/zinc/24/86/00/517248600.db2.gz QRAOQWZNYXNEPY-BMIGLBTASA-N -1 1 367.814 2.857 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2Cl)CC1 ZINC000534261294 517812767 /nfs/dbraw/zinc/81/27/67/517812767.db2.gz NOQGALVVFYFGOC-UHFFFAOYSA-N -1 1 367.814 2.653 20 5 FFBDMM COc1ccc(NC(=O)[C@H](C)Sc2ncc(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000567250865 518430877 /nfs/dbraw/zinc/43/08/77/518430877.db2.gz XICWECUKAWQYID-VIFPVBQESA-N -1 1 364.383 2.527 20 5 FFBDMM COc1cc(CN[C@H](CC(=O)[O-])c2cccs2)c([N+](=O)[O-])cc1O ZINC000585731859 518578149 /nfs/dbraw/zinc/57/81/49/518578149.db2.gz UUGZOYSNUSKDOG-SNVBAGLBSA-N -1 1 352.368 2.676 20 5 FFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000582775913 518916271 /nfs/dbraw/zinc/91/62/71/518916271.db2.gz AECUSVHGNLPXHS-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000589594240 519037413 /nfs/dbraw/zinc/03/74/13/519037413.db2.gz LXIRUPAAROJDLL-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000565676490 519076458 /nfs/dbraw/zinc/07/64/58/519076458.db2.gz ALTWQSLLDPOAMS-JTQLQIEISA-N -1 1 368.798 2.703 20 5 FFBDMM CCOc1ccc(NC(=O)CSc2ncc(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000583333620 519192856 /nfs/dbraw/zinc/19/28/56/519192856.db2.gz WKOMZNMCWJJUII-UHFFFAOYSA-N -1 1 364.383 2.528 20 5 FFBDMM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000569197213 519426627 /nfs/dbraw/zinc/42/66/27/519426627.db2.gz KPZKTPWSJQQCDT-UHFFFAOYSA-N -1 1 361.423 2.779 20 5 FFBDMM COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCC2)cc1 ZINC000612397389 519937793 /nfs/dbraw/zinc/93/77/93/519937793.db2.gz KYPZRNWEGXLHSJ-UHFFFAOYSA-N -1 1 357.366 2.556 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)cc1[N+](=O)[O-] ZINC000594703977 520101772 /nfs/dbraw/zinc/10/17/72/520101772.db2.gz HHFXXMPUSBYJTN-HNNXBMFYSA-N -1 1 358.416 2.550 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600191947 520112955 /nfs/dbraw/zinc/11/29/55/520112955.db2.gz ONPJYMPNPNONGD-NSHDSACASA-N -1 1 363.320 2.993 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000617201581 520379253 /nfs/dbraw/zinc/37/92/53/520379253.db2.gz CLCHFXWFMHNJRV-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604521823 520588004 /nfs/dbraw/zinc/58/80/04/520588004.db2.gz AAGMIVVUYVMVHH-WMLDXEAASA-N -1 1 371.393 2.935 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)s1 ZINC000601515876 520820227 /nfs/dbraw/zinc/82/02/27/520820227.db2.gz GCELKTIMZSGOSV-LLVKDONJSA-N -1 1 360.457 2.674 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)c([N+](=O)[O-])n1 ZINC000611106207 520986702 /nfs/dbraw/zinc/98/67/02/520986702.db2.gz ZKMJADMAVIWMJX-SECBINFHSA-N -1 1 358.445 2.529 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC2CCC(C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000611107934 520988696 /nfs/dbraw/zinc/98/86/96/520988696.db2.gz WKANPUZNDQRXTF-UHFFFAOYSA-N -1 1 358.464 2.552 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618378014 521039871 /nfs/dbraw/zinc/03/98/71/521039871.db2.gz LIQQYVHBNNAJIT-KNVOCYPGSA-N -1 1 373.209 2.508 20 5 FFBDMM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000612143699 521504556 /nfs/dbraw/zinc/50/45/56/521504556.db2.gz FCTQWBWTBFZZDU-LBPRGKRZSA-N -1 1 368.436 2.501 20 5 FFBDMM CCN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825435263 607449701 /nfs/dbraw/zinc/44/97/01/607449701.db2.gz ROGUOQVGZDEODK-UHFFFAOYSA-N -1 1 368.353 2.530 20 5 FFBDMM CCN(Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825435263 607449703 /nfs/dbraw/zinc/44/97/03/607449703.db2.gz ROGUOQVGZDEODK-UHFFFAOYSA-N -1 1 368.353 2.530 20 5 FFBDMM O=C([O-])[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000833165783 604770595 /nfs/dbraw/zinc/77/05/95/604770595.db2.gz LMLIULSVVJQDPM-GFCCVEGCSA-N -1 1 359.169 2.514 20 5 FFBDMM Cc1cccc(C2=CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1 ZINC000826297759 608194096 /nfs/dbraw/zinc/19/40/96/608194096.db2.gz QUPIFYRLFHEATR-UHFFFAOYSA-N -1 1 363.381 2.772 20 5 FFBDMM Cc1cccc(C2=CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1 ZINC000826297759 608194098 /nfs/dbraw/zinc/19/40/98/608194098.db2.gz QUPIFYRLFHEATR-UHFFFAOYSA-N -1 1 363.381 2.772 20 5 FFBDMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158135861 728882813 /nfs/dbraw/zinc/88/28/13/728882813.db2.gz FEYUGKSDHWATRE-IUCAKERBSA-N -1 1 362.454 2.508 20 5 FFBDMM CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039637 727933538 /nfs/dbraw/zinc/93/35/38/727933538.db2.gz ZLBSJTQUNKGLFV-UHFFFAOYSA-N -1 1 351.222 2.826 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116362279 728571340 /nfs/dbraw/zinc/57/13/40/728571340.db2.gz KOYFBKGMXWSRIF-QPUJVOFHSA-N -1 1 372.324 2.847 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC000132279229 728724147 /nfs/dbraw/zinc/72/41/47/728724147.db2.gz SPQFQHBTRPEVHE-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000178197223 729156659 /nfs/dbraw/zinc/15/66/59/729156659.db2.gz XWQQTDCUMCUGDD-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194346345 729507587 /nfs/dbraw/zinc/50/75/87/729507587.db2.gz NPHBPLXWPWXNTG-DGCLKSJQSA-N -1 1 360.407 2.608 20 5 FFBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194342380 729507774 /nfs/dbraw/zinc/50/77/74/729507774.db2.gz YIBHRSFHHCPGND-UHFFFAOYSA-N -1 1 368.386 2.749 20 5 FFBDMM O=C(NCc1ccc(Br)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770470527 737630329 /nfs/dbraw/zinc/63/03/29/737630329.db2.gz KOJXSJNIWJEJPW-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000742308889 735223950 /nfs/dbraw/zinc/22/39/50/735223950.db2.gz LRMQHQNCGZVSKB-TZMCWYRMSA-N -1 1 350.371 2.643 20 5 FFBDMM Cc1cc(N[C@H]2CCCN3CCSC[C@@H]23)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910386831 737067583 /nfs/dbraw/zinc/06/75/83/737067583.db2.gz PWJQTQAFUUZJHV-WFASDCNBSA-N -1 1 351.428 2.593 20 5 FFBDMM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834791 737463851 /nfs/dbraw/zinc/46/38/51/737463851.db2.gz KNJGTNZEZJUTRO-GFCCVEGCSA-N -1 1 354.409 2.685 20 5 FFBDMM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)on1 ZINC000769908517 737582794 /nfs/dbraw/zinc/58/27/94/737582794.db2.gz UARJBFOQUPLMTP-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000773574287 737921516 /nfs/dbraw/zinc/92/15/16/737921516.db2.gz DGOUIJCOXFOFJW-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000777591082 738303479 /nfs/dbraw/zinc/30/34/79/738303479.db2.gz MCHROQHGVIQXNG-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777972529 738337225 /nfs/dbraw/zinc/33/72/25/738337225.db2.gz WJLQIBRUURCWPS-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000786911995 739088351 /nfs/dbraw/zinc/08/83/51/739088351.db2.gz KWGOZQXRNBNSLH-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)cc2s1 ZINC000793351255 739771447 /nfs/dbraw/zinc/77/14/47/739771447.db2.gz AMJDVCPQBQMQLB-UHFFFAOYSA-N -1 1 364.408 2.896 20 5 FFBDMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795761967 740061421 /nfs/dbraw/zinc/06/14/21/740061421.db2.gz WYGZAYSTSKLLRT-ZETCQYMHSA-N -1 1 369.212 2.963 20 5 FFBDMM CC(C)COCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224906 740314279 /nfs/dbraw/zinc/31/42/79/740314279.db2.gz MOAFZDFBFIHROV-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000800052269 740479292 /nfs/dbraw/zinc/47/92/92/740479292.db2.gz NTYZZERDDNSLEE-UHFFFAOYSA-N -1 1 366.326 2.514 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)cc1Cl ZINC000809825609 741349390 /nfs/dbraw/zinc/34/93/90/741349390.db2.gz JQSMVZFOVAMRBB-ZETCQYMHSA-N -1 1 354.812 2.561 20 5 FFBDMM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827633 741349874 /nfs/dbraw/zinc/34/98/74/741349874.db2.gz BHWFBZDASKKTQH-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM CC(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830996 741350742 /nfs/dbraw/zinc/35/07/42/741350742.db2.gz MFHAHMXMHNYZER-UHFFFAOYSA-N -1 1 357.215 2.605 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(C)o1 ZINC000811832123 741564829 /nfs/dbraw/zinc/56/48/29/741564829.db2.gz LPBSVBMFRPMRQV-UHFFFAOYSA-N -1 1 374.758 2.737 20 5 FFBDMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000817145568 742095455 /nfs/dbraw/zinc/09/54/55/742095455.db2.gz JXPFDAHUSHIOHL-BDAKNGLRSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCN3C)cc1[N+](=O)[O-] ZINC000818284590 742258184 /nfs/dbraw/zinc/25/81/84/742258184.db2.gz JADFEUNNDAVMHH-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOCC2CC2)c1Cl ZINC000830429390 745355310 /nfs/dbraw/zinc/35/53/10/745355310.db2.gz PKFXYWHQXCNBOL-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633634 745395576 /nfs/dbraw/zinc/39/55/76/745395576.db2.gz UKIAISFBLQFYKV-GFCCVEGCSA-N -1 1 371.242 2.731 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000845979783 748370761 /nfs/dbraw/zinc/37/07/61/748370761.db2.gz PPOMMEXOMYTDKQ-OAHLLOKOSA-N -1 1 374.846 2.732 20 5 FFBDMM CN1CCN(c2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)CC1 ZINC001176676794 1013750003 /nfs/dbraw/zinc/75/00/03/1013750003.db2.gz JAVFZPWYRPLTCP-UHFFFAOYSA-N -1 1 356.382 2.788 20 5 FFBDMM Cc1c(F)cnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001167933764 978170837 /nfs/dbraw/zinc/17/08/37/978170837.db2.gz NCQGTYXZBBFTGJ-UHFFFAOYSA-N -1 1 367.273 2.522 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(OCCc2ccccc2)CC1 ZINC000195322345 990838313 /nfs/dbraw/zinc/83/83/13/990838313.db2.gz VNKOQSFZRYDDEB-UHFFFAOYSA-N -1 1 371.393 2.559 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)cc1F ZINC001212333295 991709740 /nfs/dbraw/zinc/70/97/40/991709740.db2.gz AXGDPOITBUFVFY-XYPYZODXSA-N -1 1 360.407 2.667 20 5 FFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ncc2ccccc2c1[O-] ZINC001144413518 998503661 /nfs/dbraw/zinc/50/36/61/998503661.db2.gz OJRISOHRDQPFPG-UHFFFAOYSA-N -1 1 353.334 2.657 20 5 FFBDMM COc1ccc(CC(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000744944373 999883993 /nfs/dbraw/zinc/88/39/93/999883993.db2.gz NWORPEZOSRVLFV-UHFFFAOYSA-N -1 1 373.361 2.840 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 ZINC000769046627 1000413051 /nfs/dbraw/zinc/41/30/51/1000413051.db2.gz GQECDGSJPWXDBM-VIFPVBQESA-N -1 1 355.306 2.867 20 5 FFBDMM COc1ccc2c(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000769050347 1000424467 /nfs/dbraw/zinc/42/44/67/1000424467.db2.gz TXHYOQPSWKVFPJ-UHFFFAOYSA-N -1 1 371.301 2.772 20 5 FFBDMM Cc1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H](C)C2)cc1C ZINC000770596846 1000850581 /nfs/dbraw/zinc/85/05/81/1000850581.db2.gz OWVSLIVMHYCCAD-AWEZNQCLSA-N -1 1 370.409 2.663 20 5 FFBDMM Cn1cc(-c2nsc([N-]C(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)cn1 ZINC001134661765 1006434800 /nfs/dbraw/zinc/43/48/00/1006434800.db2.gz LSTDZIABKMQCCJ-UHFFFAOYSA-N -1 1 364.774 2.753 20 5 FFBDMM O=C(CSCc1nc2ccccc2[nH]1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001189495360 1007120315 /nfs/dbraw/zinc/12/03/15/1007120315.db2.gz GLFXYCSRVXAPEB-UHFFFAOYSA-N -1 1 370.390 2.661 20 5 FFBDMM COc1cnc(C=Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000821007106 1008408738 /nfs/dbraw/zinc/40/87/38/1008408738.db2.gz CQHCVZAPSAQMMG-YVMONPNESA-N -1 1 353.338 2.670 20 5 FFBDMM COc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccc1[N+](=O)[O-] ZINC000725946753 1020376747 /nfs/dbraw/zinc/37/67/47/1020376747.db2.gz BXBYXHUYBZGIQY-UHFFFAOYSA-N -1 1 371.301 2.772 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CCC[NH2+]C[C@@H]4F)cc3c([O-])c1-2 ZINC001217950221 1032915563 /nfs/dbraw/zinc/91/55/63/1032915563.db2.gz YGGWTJKGZHETQQ-FZMZJTMJSA-N -1 1 359.353 2.826 20 5 FFBDMM CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)c1[O-] ZINC001160320887 1027671425 /nfs/dbraw/zinc/67/14/25/1027671425.db2.gz FAEIARGHLJEQSG-UHFFFAOYSA-N -1 1 366.333 2.941 20 5 FFBDMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155808964 1028922585 /nfs/dbraw/zinc/92/25/85/1028922585.db2.gz SXECRUIVZHMIPV-UHFFFAOYSA-N -1 1 362.305 2.634 20 5 FFBDMM COc1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC001142390316 1030385078 /nfs/dbraw/zinc/38/50/78/1030385078.db2.gz NWTMKOFQYLOMHF-UHFFFAOYSA-N -1 1 351.746 2.630 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225660027 1034355294 /nfs/dbraw/zinc/35/52/94/1034355294.db2.gz BTOBNHFJOMLTTC-ZYHUDNBSSA-N -1 1 371.365 2.812 20 5 FFBDMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227715115 1035691457 /nfs/dbraw/zinc/69/14/57/1035691457.db2.gz YZLDRDNPEZWSBD-YUMQZZPRSA-N -1 1 361.310 2.550 20 5 FFBDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142583 1035958606 /nfs/dbraw/zinc/95/86/06/1035958606.db2.gz FOZOSLBZYRZXBN-GHMZBOCLSA-N -1 1 368.390 2.505 20 5 FFBDMM Cc1nc(O[C@@H]2Cc3cccc(Br)c3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377966 1036639943 /nfs/dbraw/zinc/63/99/43/1036639943.db2.gz DZJZWKQUJWZYGK-SECBINFHSA-N -1 1 366.171 2.708 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4COC[C@@H]4C)cc([O-])cc3oc21 ZINC001234747482 1037163913 /nfs/dbraw/zinc/16/39/13/1037163913.db2.gz BFJXVSJYJOEVRM-VFZGTOFNSA-N -1 1 358.346 2.780 20 5 FFBDMM O=c1c2ccc(O)c(O[C@H]3CCn4ccnc43)c2oc2cc([O-])cc(O)c12 ZINC001234754163 1037168540 /nfs/dbraw/zinc/16/85/40/1037168540.db2.gz VFEQQAQPWNYMON-ZDUSSCGKSA-N -1 1 366.329 2.783 20 5 FFBDMM CCN(CC)C(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001231265148 1037518704 /nfs/dbraw/zinc/51/87/04/1037518704.db2.gz YYAYAUGLPISQNB-INIZCTEOSA-N -1 1 359.382 2.992 20 5 FFBDMM CN1CCN(c2cccc3[nH]c(-c4ccc([N+](=O)[O-])c([O-])c4)nc32)CC1 ZINC001250880969 1038775296 /nfs/dbraw/zinc/77/52/96/1038775296.db2.gz OLHNDNRWOYGAEW-UHFFFAOYSA-N -1 1 353.382 2.596 20 5 FFBDMM CS(=O)(=O)c1cccc2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)cnc21 ZINC001210396745 1039521947 /nfs/dbraw/zinc/52/19/47/1039521947.db2.gz YOHAVXYDEXDGEC-UHFFFAOYSA-N -1 1 359.363 2.996 20 5 FFBDMM CCc1ccc(C(=O)Nc2[n-]c(C(=O)OC)cc2C(C)=O)cc1[N+](=O)[O-] ZINC001537609334 1070220009 /nfs/dbraw/zinc/22/00/09/1070220009.db2.gz GKPXEWQOYQEKGV-UHFFFAOYSA-N -1 1 359.338 2.727 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1OCc2ccccc21 ZINC001309950204 1043605060 /nfs/dbraw/zinc/60/50/60/1043605060.db2.gz CKSLQAQIGFSTDW-CQSZACIVSA-N -1 1 368.798 2.798 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2nccc(Cl)c2F)cc([N+](=O)[O-])c1 ZINC001320798629 1045470520 /nfs/dbraw/zinc/47/05/20/1045470520.db2.gz QEBMQCXUKOSRNJ-UHFFFAOYSA-N -1 1 353.693 2.821 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cn(CCc2ccccc2)nn1 ZINC001349537280 1055325493 /nfs/dbraw/zinc/32/54/93/1055325493.db2.gz XSVNLJSYKYLNSD-UHFFFAOYSA-N -1 1 373.319 2.960 20 5 FFBDMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001444206543 1058279644 /nfs/dbraw/zinc/27/96/44/1058279644.db2.gz NHHZVUUTBIYTAY-UHFFFAOYSA-N -1 1 374.744 2.593 20 5 FFBDMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001439450111 1063158606 /nfs/dbraw/zinc/15/86/06/1063158606.db2.gz BLCFNOKGVAUOSW-UHFFFAOYSA-N -1 1 351.265 2.615 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2ccc(Cl)cc21 ZINC001582802296 1079108230 /nfs/dbraw/zinc/10/82/30/1079108230.db2.gz OHJAKNJNUZMZNC-GFCCVEGCSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2ccc(Cl)cc21 ZINC001582802296 1079108247 /nfs/dbraw/zinc/10/82/47/1079108247.db2.gz OHJAKNJNUZMZNC-GFCCVEGCSA-N -1 1 357.761 2.923 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001559035744 1076117999 /nfs/dbraw/zinc/11/79/99/1076117999.db2.gz FUIOYSHCPHQORD-SNVBAGLBSA-N -1 1 374.422 2.660 20 5 FFBDMM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001561696564 1076408810 /nfs/dbraw/zinc/40/88/10/1076408810.db2.gz AQYPQFHPRLUBEL-SECBINFHSA-N -1 1 373.793 2.692 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCS1 ZINC001561986033 1076460317 /nfs/dbraw/zinc/46/03/17/1076460317.db2.gz MIARPPVZNGOGJX-HTQZYQBOSA-N -1 1 368.839 2.950 20 5 FFBDMM CSc1ncc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001566173207 1076928991 /nfs/dbraw/zinc/92/89/91/1076928991.db2.gz QAFNPRQITLRZPL-UHFFFAOYSA-N -1 1 362.411 2.565 20 5 FFBDMM CC(=O)c1cccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1[O-] ZINC001569928203 1077172430 /nfs/dbraw/zinc/17/24/30/1077172430.db2.gz MOUUEKRBRIFLKN-UHFFFAOYSA-N -1 1 372.333 2.917 20 5 FFBDMM C[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001590010863 1080938682 /nfs/dbraw/zinc/93/86/82/1080938682.db2.gz OZWLCZBQOOVRTJ-SECBINFHSA-N -1 1 357.301 2.832 20 5 FFBDMM C[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001590010863 1080938687 /nfs/dbraw/zinc/93/86/87/1080938687.db2.gz OZWLCZBQOOVRTJ-SECBINFHSA-N -1 1 357.301 2.832 20 5 FFBDMM C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590214185 1081096843 /nfs/dbraw/zinc/09/68/43/1081096843.db2.gz JZTWHNVKIDMLDK-BZNIZROVSA-N -1 1 351.370 2.757 20 5 FFBDMM C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590214185 1081096846 /nfs/dbraw/zinc/09/68/46/1081096846.db2.gz JZTWHNVKIDMLDK-BZNIZROVSA-N -1 1 351.370 2.757 20 5 FFBDMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000542200297 541356775 /nfs/dbraw/zinc/35/67/75/541356775.db2.gz UBCXJTJHKISBKM-UHFFFAOYSA-N -1 1 358.310 2.504 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC[NH+](C)C ZINC000275799270 256049399 /nfs/dbraw/zinc/04/93/99/256049399.db2.gz OOZNGZLTRCSSOD-UHFFFAOYSA-N -1 1 363.439 2.808 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCSCC2)cc1Cl ZINC000289331684 257275168 /nfs/dbraw/zinc/27/51/68/257275168.db2.gz MERUMALGRZEMGI-UHFFFAOYSA-N -1 1 354.812 2.561 20 5 FFBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1[N+](=O)[O-] ZINC000299506791 258000331 /nfs/dbraw/zinc/00/03/31/258000331.db2.gz FBQODGNMLFVATN-UHFFFAOYSA-N -1 1 369.385 2.961 20 5 FFBDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000033158544 506341902 /nfs/dbraw/zinc/34/19/02/506341902.db2.gz CDFXXKQUTQEXRD-UHFFFAOYSA-N -1 1 367.383 2.517 20 5 FFBDMM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000065793891 506367542 /nfs/dbraw/zinc/36/75/42/506367542.db2.gz BPDPKRSGBVJIGF-LLVKDONJSA-N -1 1 370.452 2.965 20 5 FFBDMM COc1ccc(C[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000373113558 512177228 /nfs/dbraw/zinc/17/72/28/512177228.db2.gz UWLUQBGDUGJGFZ-AWEZNQCLSA-N -1 1 371.393 2.799 20 5 FFBDMM CC1CCC(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000373114427 512177610 /nfs/dbraw/zinc/17/76/10/512177610.db2.gz ZJULXZVYDDOCHH-UHFFFAOYSA-N -1 1 363.414 2.895 20 5 FFBDMM O=C(c1cc(Cl)ccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373306791 512267294 /nfs/dbraw/zinc/26/72/94/512267294.db2.gz JHXRZTMPJMTRAT-UHFFFAOYSA-N -1 1 350.762 2.628 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000007323297 506552018 /nfs/dbraw/zinc/55/20/18/506552018.db2.gz BIGUDYFUQWWDGV-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000014207052 506977979 /nfs/dbraw/zinc/97/79/79/506977979.db2.gz ISBAQXVZMYSQFY-UHFFFAOYSA-N -1 1 362.411 2.588 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000025509998 507507547 /nfs/dbraw/zinc/50/75/47/507507547.db2.gz GIPJPVLVRYHOMY-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM Cc1cc(C)cc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000092138993 508046341 /nfs/dbraw/zinc/04/63/41/508046341.db2.gz BLAMGUOOUNMKHN-UHFFFAOYSA-N -1 1 353.378 2.829 20 5 FFBDMM Cn1c(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000085357637 508303211 /nfs/dbraw/zinc/30/32/11/508303211.db2.gz SWPVJHAXFAFMMB-UHFFFAOYSA-N -1 1 362.415 2.797 20 5 FFBDMM O=c1[n-]c(Oc2cc(F)cc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1 ZINC000135532237 508618336 /nfs/dbraw/zinc/61/83/36/508618336.db2.gz FISCQDLBESFHSJ-UHFFFAOYSA-N -1 1 367.296 2.948 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1[N+](=O)[O-] ZINC000135954747 508660819 /nfs/dbraw/zinc/66/08/19/508660819.db2.gz SHFRAHWUNPVXGC-UHFFFAOYSA-N -1 1 360.351 2.754 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(OC(F)F)cc1 ZINC000119298073 508767085 /nfs/dbraw/zinc/76/70/85/508767085.db2.gz DWBBAHCIXWJLOM-QMMMGPOBSA-N -1 1 353.281 2.788 20 5 FFBDMM Cc1ccc(C)c([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000185743035 509334352 /nfs/dbraw/zinc/33/43/52/509334352.db2.gz ILJRLACBKZJIBK-SUMWQHHRSA-N -1 1 371.393 2.914 20 5 FFBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182920209 509496415 /nfs/dbraw/zinc/49/64/15/509496415.db2.gz HFJXKCXKAFUSGN-UHFFFAOYSA-N -1 1 369.175 2.515 20 5 FFBDMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000173623524 509680798 /nfs/dbraw/zinc/68/07/98/509680798.db2.gz JQGAFLPVAXRJDQ-NSHDSACASA-N -1 1 356.425 2.711 20 5 FFBDMM O=C(NCc1ccc(OC(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193378363 509886890 /nfs/dbraw/zinc/88/68/90/509886890.db2.gz YSBJEACVHLWMNC-UHFFFAOYSA-N -1 1 357.244 2.524 20 5 FFBDMM COCCCCN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193460618 509923589 /nfs/dbraw/zinc/92/35/89/509923589.db2.gz CPLBQGRPAWDBIH-UHFFFAOYSA-N -1 1 359.382 2.764 20 5 FFBDMM COc1cc(CN2CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262291254 510234998 /nfs/dbraw/zinc/23/49/98/510234998.db2.gz NSIQIHHOMFJXFY-JTQLQIEISA-N -1 1 360.313 2.644 20 5 FFBDMM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000187851701 510470284 /nfs/dbraw/zinc/47/02/84/510470284.db2.gz NHZOFQNSDZOZFM-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000184966879 510607452 /nfs/dbraw/zinc/60/74/52/510607452.db2.gz MFJCTHCJOPKYKT-UHFFFAOYSA-N -1 1 359.363 2.952 20 5 FFBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000188185601 510637034 /nfs/dbraw/zinc/63/70/34/510637034.db2.gz BTEJOZHTEBWAIX-AWEZNQCLSA-N -1 1 355.354 2.699 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1C ZINC000362671992 511213088 /nfs/dbraw/zinc/21/30/88/511213088.db2.gz XJELTIWJRAOFGW-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCOC1 ZINC000295185677 511313494 /nfs/dbraw/zinc/31/34/94/511313494.db2.gz ISFCDAPXZXGRQS-YUMQZZPRSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295325023 511363690 /nfs/dbraw/zinc/36/36/90/511363690.db2.gz WTKWWZCRPMBVDP-YUMQZZPRSA-N -1 1 371.242 2.587 20 5 FFBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000298868084 511436481 /nfs/dbraw/zinc/43/64/81/511436481.db2.gz TUWNYRCNXIHCAG-UHFFFAOYSA-N -1 1 364.383 2.767 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)ccc1[O-] ZINC000391256590 512915143 /nfs/dbraw/zinc/91/51/43/512915143.db2.gz CEFSAIHYNAFIPU-UHFFFAOYSA-N -1 1 362.722 2.599 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000412401683 513065808 /nfs/dbraw/zinc/06/58/08/513065808.db2.gz XXAHGQLLYCRDCR-UHFFFAOYSA-N -1 1 367.283 2.954 20 5 FFBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(F)c1 ZINC000440401207 513311056 /nfs/dbraw/zinc/31/10/56/513311056.db2.gz VRAYDHHXWJBDSV-LLVKDONJSA-N -1 1 374.415 2.931 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000446729276 513323778 /nfs/dbraw/zinc/32/37/78/513323778.db2.gz SXCNQNAIKXFHNU-UHFFFAOYSA-N -1 1 372.768 2.960 20 5 FFBDMM O=C(NCc1ccc(-c2cccnc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440926525 513437283 /nfs/dbraw/zinc/43/72/83/513437283.db2.gz XXTWYDZLQYFCHW-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000451074462 513499308 /nfs/dbraw/zinc/49/93/08/513499308.db2.gz WNAGERPCXLDLDR-ZCFIWIBFSA-N -1 1 373.175 2.679 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cccc(C)c2[N+](=O)[O-])c1Br ZINC000448316415 513732549 /nfs/dbraw/zinc/73/25/49/513732549.db2.gz UHGIKWLIDZDMJE-UHFFFAOYSA-N -1 1 353.176 2.625 20 5 FFBDMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000416504946 513806452 /nfs/dbraw/zinc/80/64/52/513806452.db2.gz ZGTNJOQGBZBDLA-JTQLQIEISA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)s1 ZINC000416506908 513807228 /nfs/dbraw/zinc/80/72/28/513807228.db2.gz IITPVRZQGPTYER-NXEZZACHSA-N -1 1 374.465 2.916 20 5 FFBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436637387 513925743 /nfs/dbraw/zinc/92/57/43/513925743.db2.gz VXYBJOJRXTVQAB-UHFFFAOYSA-N -1 1 368.267 2.818 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000451954385 514091527 /nfs/dbraw/zinc/09/15/27/514091527.db2.gz ARYNLVPNFYFMIX-UHFFFAOYSA-N -1 1 359.791 2.667 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432192466 514121417 /nfs/dbraw/zinc/12/14/17/514121417.db2.gz NLWOADSTPINRTK-UHFFFAOYSA-N -1 1 359.363 2.546 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1C ZINC000427314088 514181221 /nfs/dbraw/zinc/18/12/21/514181221.db2.gz HVPHSZMWIZXXSQ-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000444958299 514376959 /nfs/dbraw/zinc/37/69/59/514376959.db2.gz GZDOWZPWLWDXBX-UHFFFAOYSA-N -1 1 371.393 2.643 20 5 FFBDMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000421141823 514501919 /nfs/dbraw/zinc/50/19/19/514501919.db2.gz PVAFOKBLCFLPHV-OAHLLOKOSA-N -1 1 364.423 2.903 20 5 FFBDMM O=C(NCCc1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484271261 514611641 /nfs/dbraw/zinc/61/16/41/514611641.db2.gz BBYWYLCASGDUID-UHFFFAOYSA-N -1 1 355.272 2.687 20 5 FFBDMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000489691201 514940015 /nfs/dbraw/zinc/94/00/15/514940015.db2.gz XWIZIELCXVPUAW-MRVPVSSYSA-N -1 1 363.233 2.682 20 5 FFBDMM O=c1cc(/C=C\c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc2nc[n-]n21 ZINC000486143206 515351933 /nfs/dbraw/zinc/35/19/33/515351933.db2.gz ARMLKKBOHWUXEK-PLNGDYQASA-N -1 1 366.362 2.620 20 5 FFBDMM COc1ccc(OC)c(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)c1 ZINC000472927866 515444749 /nfs/dbraw/zinc/44/47/49/515444749.db2.gz AWTHZDLPKKYFIR-UHFFFAOYSA-N -1 1 373.365 2.517 20 5 FFBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1csc(=NC2CC2)[n-]1 ZINC000468819266 515533983 /nfs/dbraw/zinc/53/39/83/515533983.db2.gz CNUCTIHOIQPRPI-UHFFFAOYSA-N -1 1 352.803 2.631 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2noc(=NCCN3CCc4sccc4C3)[n-]2)cc1 ZINC000486934082 515690540 /nfs/dbraw/zinc/69/05/40/515690540.db2.gz JMKKWQINDSQFMS-UHFFFAOYSA-N -1 1 371.422 2.598 20 5 FFBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000469205203 515719960 /nfs/dbraw/zinc/71/99/60/515719960.db2.gz NMPOGXVSHRENFM-UHFFFAOYSA-N -1 1 356.379 2.846 20 5 FFBDMM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])cc1C ZINC000478679650 515920672 /nfs/dbraw/zinc/92/06/72/515920672.db2.gz DNILSWYPSQHFNQ-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)s1 ZINC000474306352 515982591 /nfs/dbraw/zinc/98/25/91/515982591.db2.gz FUUGGIQVHBIUEU-SECBINFHSA-N -1 1 360.800 2.722 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000474427683 516040701 /nfs/dbraw/zinc/04/07/01/516040701.db2.gz OTYBDYNYRQDBGQ-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512771061 516353785 /nfs/dbraw/zinc/35/37/85/516353785.db2.gz RELXAGWUCRDUHD-SECBINFHSA-N -1 1 360.388 2.541 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531451920 516473278 /nfs/dbraw/zinc/47/32/78/516473278.db2.gz OUQCZLOKXVDMPL-NXEZZACHSA-N -1 1 367.349 2.637 20 5 FFBDMM CCOc1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000544107273 516587167 /nfs/dbraw/zinc/58/71/67/516587167.db2.gz ULBJBWLVZRYYGK-UHFFFAOYSA-N -1 1 363.374 2.601 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])n1 ZINC000533174502 517324903 /nfs/dbraw/zinc/32/49/03/517324903.db2.gz NAPIGMJKSWSYTG-UHFFFAOYSA-N -1 1 366.443 2.587 20 5 FFBDMM CCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCCC1 ZINC000533635160 517556290 /nfs/dbraw/zinc/55/62/90/517556290.db2.gz MWVMPQIMFPJUAQ-ZDUSSCGKSA-N -1 1 358.464 2.839 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1c[nH]nc1[N+](=O)[O-] ZINC000549724412 517674032 /nfs/dbraw/zinc/67/40/32/517674032.db2.gz IHFKBYQQHHKQIW-UHFFFAOYSA-N -1 1 368.140 2.662 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccc3F)c2)n1 ZINC000553446747 517719594 /nfs/dbraw/zinc/71/95/94/517719594.db2.gz QKOHYPCTOFWYQF-UHFFFAOYSA-N -1 1 357.301 2.845 20 5 FFBDMM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000543098119 517908181 /nfs/dbraw/zinc/90/81/81/517908181.db2.gz DFRBPDPQULQFHJ-UHFFFAOYSA-N -1 1 365.271 2.802 20 5 FFBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000539111112 517918702 /nfs/dbraw/zinc/91/87/02/517918702.db2.gz UPDIAAQYHAJSGQ-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000590565351 519267375 /nfs/dbraw/zinc/26/73/75/519267375.db2.gz LIPSUTYAUHPUSU-UHFFFAOYSA-N -1 1 355.148 2.655 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](CCC(C)C)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000577956248 519340311 /nfs/dbraw/zinc/34/03/11/519340311.db2.gz WRAHGSIAQIKZNR-CYBMUJFWSA-N -1 1 360.480 2.940 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000566229024 519381100 /nfs/dbraw/zinc/38/11/00/519381100.db2.gz FPCNTNPKUYMONI-JTQLQIEISA-N -1 1 363.395 2.761 20 5 FFBDMM Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1Br ZINC000597732310 520203323 /nfs/dbraw/zinc/20/33/23/520203323.db2.gz VMPGAGFRCVIVSI-WDEREUQCSA-N -1 1 365.187 2.553 20 5 FFBDMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000603779952 520359465 /nfs/dbraw/zinc/35/94/65/520359465.db2.gz QXWDGOYLOTVDJW-UHFFFAOYSA-N -1 1 363.395 2.990 20 5 FFBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600675924 520391328 /nfs/dbraw/zinc/39/13/28/520391328.db2.gz PNIHQILDXVWAOO-PTEHBNRSSA-N -1 1 360.370 2.718 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000603978380 520420501 /nfs/dbraw/zinc/42/05/01/520420501.db2.gz BOVMXVNFGXAIOS-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM COc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000598197569 520489092 /nfs/dbraw/zinc/48/90/92/520489092.db2.gz MUOXRYKBGJHILT-ZDUSSCGKSA-N -1 1 361.329 2.820 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C1CCC1 ZINC000610263027 520609062 /nfs/dbraw/zinc/60/90/62/520609062.db2.gz FPMRPNUEBOLRIL-HNNXBMFYSA-N -1 1 365.386 2.949 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000610263428 520609186 /nfs/dbraw/zinc/60/91/86/520609186.db2.gz INOKRGQEZPOYGF-UHFFFAOYSA-N -1 1 365.436 2.593 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738374230 598501334 /nfs/dbraw/zinc/50/13/34/598501334.db2.gz LMOICEBRRGNTEP-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738374230 598501336 /nfs/dbraw/zinc/50/13/36/598501336.db2.gz LMOICEBRRGNTEP-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825991849 607453835 /nfs/dbraw/zinc/45/38/35/607453835.db2.gz JJEUKOZAKQUAFB-UHFFFAOYSA-N -1 1 371.426 2.747 20 5 FFBDMM CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825991849 607453836 /nfs/dbraw/zinc/45/38/36/607453836.db2.gz JJEUKOZAKQUAFB-UHFFFAOYSA-N -1 1 371.426 2.747 20 5 FFBDMM CCOCc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825605313 607449864 /nfs/dbraw/zinc/44/98/64/607449864.db2.gz UYMRKWXMQICGNT-UHFFFAOYSA-N -1 1 354.370 2.924 20 5 FFBDMM CCOCc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825605313 607449866 /nfs/dbraw/zinc/44/98/66/607449866.db2.gz UYMRKWXMQICGNT-UHFFFAOYSA-N -1 1 354.370 2.924 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2cn3cc(Cl)ccc3n2)cc1-c1nnn[n-]1 ZINC000826498908 607450905 /nfs/dbraw/zinc/45/09/05/607450905.db2.gz OBTKCYPONBRUDD-UHFFFAOYSA-N -1 1 370.760 2.688 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2cn3cc(Cl)ccc3n2)cc1-c1nn[n-]n1 ZINC000826498908 607450906 /nfs/dbraw/zinc/45/09/06/607450906.db2.gz OBTKCYPONBRUDD-UHFFFAOYSA-N -1 1 370.760 2.688 20 5 FFBDMM CC(C)[C@H](CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)NC(=O)[O-] ZINC000824105538 603570635 /nfs/dbraw/zinc/57/06/35/603570635.db2.gz XLTFMFNSQXUNBF-LBPRGKRZSA-N -1 1 350.375 2.850 20 5 FFBDMM Cc1cccc(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822289435 606703242 /nfs/dbraw/zinc/70/32/42/606703242.db2.gz XCCPIYYXNHEFNR-UHFFFAOYSA-N -1 1 353.386 2.868 20 5 FFBDMM Cc1cccc(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822289435 606703244 /nfs/dbraw/zinc/70/32/44/606703244.db2.gz XCCPIYYXNHEFNR-UHFFFAOYSA-N -1 1 353.386 2.868 20 5 FFBDMM Cc1cccc2c(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c[nH]c21 ZINC000822332794 606712474 /nfs/dbraw/zinc/71/24/74/606712474.db2.gz SYMGWOCVYAVMRE-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM Cc1cccc2c(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c[nH]c21 ZINC000822332794 606712475 /nfs/dbraw/zinc/71/24/75/606712475.db2.gz SYMGWOCVYAVMRE-UHFFFAOYSA-N -1 1 364.369 2.614 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Cc2ccccc2)CC1 ZINC000823621193 607162195 /nfs/dbraw/zinc/16/21/95/607162195.db2.gz YVZMCKGZVQFZMT-UHFFFAOYSA-N -1 1 365.397 2.629 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Cc2ccccc2)CC1 ZINC000823621193 607162196 /nfs/dbraw/zinc/16/21/96/607162196.db2.gz YVZMCKGZVQFZMT-UHFFFAOYSA-N -1 1 365.397 2.629 20 5 FFBDMM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000155038764 728818799 /nfs/dbraw/zinc/81/87/99/728818799.db2.gz XMNSTWYWWOMQCB-ZDUSSCGKSA-N -1 1 364.851 2.570 20 5 FFBDMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039564 727933632 /nfs/dbraw/zinc/93/36/32/727933632.db2.gz PQGXYTNKCOHQAD-UHFFFAOYSA-N -1 1 351.222 2.824 20 5 FFBDMM CCOCc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119480636 728595068 /nfs/dbraw/zinc/59/50/68/728595068.db2.gz HGIRLRNWUVMRKV-UHFFFAOYSA-N -1 1 356.425 2.671 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000135293107 728737243 /nfs/dbraw/zinc/73/72/43/728737243.db2.gz CFIHNKVLRARNSV-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000174054029 729061298 /nfs/dbraw/zinc/06/12/98/729061298.db2.gz YQQQQUQDWQVWQL-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000178614373 729166102 /nfs/dbraw/zinc/16/61/02/729166102.db2.gz ZDIVBAWXUFAZNA-JTQLQIEISA-N -1 1 370.814 2.780 20 5 FFBDMM O=c1[n-]nc(C2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)o1 ZINC000856749092 730354350 /nfs/dbraw/zinc/35/43/50/730354350.db2.gz ATDJUNZWIQHSDG-UHFFFAOYSA-N -1 1 369.175 2.830 20 5 FFBDMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1Cl ZINC000766535400 737239269 /nfs/dbraw/zinc/23/92/69/737239269.db2.gz PYAOHZYXADGLSZ-UHFFFAOYSA-N -1 1 372.761 2.549 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000785399212 738960602 /nfs/dbraw/zinc/96/06/02/738960602.db2.gz WLDKTAFLPIPJGR-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000769045513 737488926 /nfs/dbraw/zinc/48/89/26/737488926.db2.gz GWVVNMOGYCNPEY-LLVKDONJSA-N -1 1 350.371 2.542 20 5 FFBDMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000773358668 737898765 /nfs/dbraw/zinc/89/87/65/737898765.db2.gz LATZNQYNGWYOIR-SNVBAGLBSA-N -1 1 353.375 2.731 20 5 FFBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000773572014 737921098 /nfs/dbraw/zinc/92/10/98/737921098.db2.gz IKQDQBJPZZIGAP-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)(C)O1 ZINC000921906409 738064375 /nfs/dbraw/zinc/06/43/75/738064375.db2.gz OEAIOCMKHREYMQ-JTQLQIEISA-N -1 1 360.407 2.606 20 5 FFBDMM CCOc1cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)ccc1[N+](=O)[O-] ZINC000790926108 739514189 /nfs/dbraw/zinc/51/41/89/739514189.db2.gz YJNITQYWHIJMMA-UHFFFAOYSA-N -1 1 355.372 2.608 20 5 FFBDMM CCOc1cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000790926108 739514192 /nfs/dbraw/zinc/51/41/92/739514192.db2.gz YJNITQYWHIJMMA-UHFFFAOYSA-N -1 1 355.372 2.608 20 5 FFBDMM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798229081 740314770 /nfs/dbraw/zinc/31/47/70/740314770.db2.gz YCJBVFLOUFMBOO-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000809832164 741350735 /nfs/dbraw/zinc/35/07/35/741350735.db2.gz MAZJHIKPBJCFBU-MRVPVSSYSA-N -1 1 369.226 2.607 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000814973988 741877186 /nfs/dbraw/zinc/87/71/86/741877186.db2.gz XGXJVVNJHNXISU-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831501508 745539159 /nfs/dbraw/zinc/53/91/59/745539159.db2.gz OPLIHSWVBKYUHS-XPUUQOCRSA-N -1 1 371.267 2.931 20 5 FFBDMM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000832494457 745707799 /nfs/dbraw/zinc/70/77/99/745707799.db2.gz PAMXYDQGKJOALF-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM CCc1nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000845323605 748228530 /nfs/dbraw/zinc/22/85/30/748228530.db2.gz GASLNNPJZQDWCQ-UHFFFAOYSA-N -1 1 365.436 2.971 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848466791 748934480 /nfs/dbraw/zinc/93/44/80/748934480.db2.gz UELSDVLFKDMNOG-UKRRQHHQSA-N -1 1 374.846 2.874 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823620499 946457489 /nfs/dbraw/zinc/45/74/89/946457489.db2.gz MEFIOJUOYNWXQD-LLVKDONJSA-N -1 1 371.788 2.817 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000823620499 946457496 /nfs/dbraw/zinc/45/74/96/946457496.db2.gz MEFIOJUOYNWXQD-LLVKDONJSA-N -1 1 371.788 2.817 20 5 FFBDMM CC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000698065319 981671386 /nfs/dbraw/zinc/67/13/86/981671386.db2.gz XJGTUYGXOHQEEK-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000046755657 984790990 /nfs/dbraw/zinc/79/09/90/984790990.db2.gz ZAXCCEKIFQVWLM-UHFFFAOYSA-N -1 1 372.322 2.669 20 5 FFBDMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000763223905 989241036 /nfs/dbraw/zinc/24/10/36/989241036.db2.gz GGYJBVBTFYQTMY-UHFFFAOYSA-N -1 1 353.338 2.833 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c2cccnc12 ZINC000917729567 990267864 /nfs/dbraw/zinc/26/78/64/990267864.db2.gz JFLMAGBXUZKTAP-UHFFFAOYSA-N -1 1 374.378 2.535 20 5 FFBDMM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001591314572 992281973 /nfs/dbraw/zinc/28/19/73/992281973.db2.gz WQQBILMRTPZQNK-UHFFFAOYSA-N -1 1 362.386 2.680 20 5 FFBDMM CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768777947 1000346578 /nfs/dbraw/zinc/34/65/78/1000346578.db2.gz KVIAUPRVDOSQPW-INIZCTEOSA-N -1 1 365.288 2.936 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000769047402 1000412857 /nfs/dbraw/zinc/41/28/57/1000412857.db2.gz JEDUTCFYFZIPPD-LLVKDONJSA-N -1 1 373.365 2.550 20 5 FFBDMM CC(C)N(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769049651 1000413928 /nfs/dbraw/zinc/41/39/28/1000413928.db2.gz PXSFFUQKXXGRBU-UHFFFAOYSA-N -1 1 358.350 2.899 20 5 FFBDMM Cc1noc([C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C(C)C)n1 ZINC001196219862 1003710011 /nfs/dbraw/zinc/71/00/11/1003710011.db2.gz OXSANAWXWZIIFK-AWEZNQCLSA-N -1 1 368.415 2.579 20 5 FFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cn[n-]n2)cc1OC ZINC000805608205 1004087176 /nfs/dbraw/zinc/08/71/76/1004087176.db2.gz ARONIYHRFCSSGC-JTQLQIEISA-N -1 1 364.358 2.503 20 5 FFBDMM C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849375 1018783704 /nfs/dbraw/zinc/78/37/04/1018783704.db2.gz FPEMAPUGEPQEOL-HRLNJXSSSA-N -1 1 371.359 2.997 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 ZINC000780072942 1019497989 /nfs/dbraw/zinc/49/79/89/1019497989.db2.gz WADUNZRHTYUEII-UHFFFAOYSA-N -1 1 367.317 2.526 20 5 FFBDMM O=C(OCCCc1nc(-c2ccncc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073591 1019509060 /nfs/dbraw/zinc/50/90/60/1019509060.db2.gz BKSRMTUJTNERBH-UHFFFAOYSA-N -1 1 370.321 2.535 20 5 FFBDMM COc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c(Cl)c1OC ZINC001212893267 1027201355 /nfs/dbraw/zinc/20/13/55/1027201355.db2.gz UXYGVPFUCHPVMK-UHFFFAOYSA-N -1 1 351.706 2.706 20 5 FFBDMM COc1cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ccc1Br ZINC001212893256 1027202174 /nfs/dbraw/zinc/20/21/74/1027202174.db2.gz UOIZKGLTSDFSOB-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM O=C(NCCc1c[nH]c2c1cccc2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001150346151 1031700670 /nfs/dbraw/zinc/70/06/70/1031700670.db2.gz FMGKCDAUERJSHI-UHFFFAOYSA-N -1 1 360.757 2.803 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661105 1034355802 /nfs/dbraw/zinc/35/58/02/1034355802.db2.gz JCNBIXUNCSLADC-ZYHUDNBSSA-N -1 1 371.365 2.812 20 5 FFBDMM CS(=O)(=O)C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC001225667087 1034359044 /nfs/dbraw/zinc/35/90/44/1034359044.db2.gz PBMPCVXTDYPVEL-LBPRGKRZSA-N -1 1 372.786 2.514 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225667318 1034359406 /nfs/dbraw/zinc/35/94/06/1034359406.db2.gz REAHVNANYTWIHL-BVUQATHDSA-N -1 1 365.386 2.720 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1cccnc1F ZINC001226308971 1034623916 /nfs/dbraw/zinc/62/39/16/1034623916.db2.gz ARDIZYAPRNNJDQ-MRVPVSSYSA-N -1 1 351.290 2.546 20 5 FFBDMM C[C@@H]1OCc2c1nc(=O)[n-]c2OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001227709229 1035688290 /nfs/dbraw/zinc/68/82/90/1035688290.db2.gz BWVQZMBDWPDYSF-NSHDSACASA-N -1 1 372.381 2.729 20 5 FFBDMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227715113 1035691835 /nfs/dbraw/zinc/69/18/35/1035691835.db2.gz YZLDRDNPEZWSBD-JGVFFNPUSA-N -1 1 361.310 2.550 20 5 FFBDMM O=[N+]([O-])C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC001228860027 1036365902 /nfs/dbraw/zinc/36/59/02/1036365902.db2.gz QWQGXLXLIWAMRO-SECBINFHSA-N -1 1 374.231 2.506 20 5 FFBDMM COC(=O)[C@H]1CCC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860918 1036367114 /nfs/dbraw/zinc/36/71/14/1036367114.db2.gz XYCXVFUQAUZJKU-JGVFFNPUSA-N -1 1 364.276 2.825 20 5 FFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCC2(CC1)OCCO2 ZINC001228863124 1036369017 /nfs/dbraw/zinc/36/90/17/1036369017.db2.gz TWRZHYXDMWWDSQ-UHFFFAOYSA-N -1 1 364.276 2.779 20 5 FFBDMM Cc1nc(O[C@@H]2COc3c2cccc3Br)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229379012 1036640106 /nfs/dbraw/zinc/64/01/06/1036640106.db2.gz OVKYHQQZLJZUKO-SECBINFHSA-N -1 1 368.143 2.674 20 5 FFBDMM O=C(c1cccnc1F)N1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394761 1036649620 /nfs/dbraw/zinc/64/96/20/1036649620.db2.gz BTAAZAIDGISTDE-GFCCVEGCSA-N -1 1 361.329 2.518 20 5 FFBDMM Cc1cc([O-])c(OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1[N+](=O)[O-] ZINC001229751977 1036872133 /nfs/dbraw/zinc/87/21/33/1036872133.db2.gz ZWGVCRHNLDUXDU-GFCCVEGCSA-N -1 1 368.386 2.624 20 5 FFBDMM Cc1cc([O-])c(O[C@@H]2CCN(c3ccnc(Cl)n3)C2)cc1[N+](=O)[O-] ZINC001229754066 1036872771 /nfs/dbraw/zinc/87/27/71/1036872771.db2.gz LZVHOTWREBGCKY-SNVBAGLBSA-N -1 1 350.762 2.710 20 5 FFBDMM CC(C)N1CC(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125146 1036929694 /nfs/dbraw/zinc/92/96/94/1036929694.db2.gz NKAZCBZKFAENNN-UHFFFAOYSA-N -1 1 357.362 2.534 20 5 FFBDMM C=CC(=O)OC[C@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742459 1037162023 /nfs/dbraw/zinc/16/20/23/1037162023.db2.gz PXWQVDSFKYNCFH-JTQLQIEISA-N -1 1 356.330 2.854 20 5 FFBDMM COC(=O)C1CC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234745218 1037162155 /nfs/dbraw/zinc/16/21/55/1037162155.db2.gz SJMWRZDDUIDDOY-UHFFFAOYSA-N -1 1 356.330 2.688 20 5 FFBDMM CCOC(=O)[C@@H](CC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749808 1037165995 /nfs/dbraw/zinc/16/59/95/1037165995.db2.gz DHCVWKRNKDZUBA-CYBMUJFWSA-N -1 1 374.345 2.784 20 5 FFBDMM CCOCC(COCC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234878454 1037221277 /nfs/dbraw/zinc/22/12/77/1037221277.db2.gz VNVLOWCZCKFDDI-UHFFFAOYSA-N -1 1 364.192 2.883 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC001231260954 1037516583 /nfs/dbraw/zinc/51/65/83/1037516583.db2.gz XCRQSYLNTGNGBV-BXKDBHETSA-N -1 1 353.375 2.638 20 5 FFBDMM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccn(-c2ccccc2)n1 ZINC001255792751 1038171767 /nfs/dbraw/zinc/17/17/67/1038171767.db2.gz DETWWYKVFRGCKT-KRWDZBQOSA-N -1 1 366.377 2.566 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-n2cc[nH]c2=O)c1 ZINC001251237208 1039025671 /nfs/dbraw/zinc/02/56/71/1039025671.db2.gz FTTZLTGBPYACMN-UHFFFAOYSA-N -1 1 374.378 2.595 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2nc(Br)cn3ccnc23)ccc1[O-] ZINC001210393167 1039518668 /nfs/dbraw/zinc/51/86/68/1039518668.db2.gz QCDHAGKMTDDGOY-UHFFFAOYSA-N -1 1 350.132 2.849 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2nccn3c(Br)cnc23)ccc1[O-] ZINC001210394260 1039520113 /nfs/dbraw/zinc/52/01/13/1039520113.db2.gz SUUHGXZVWHNVBX-UHFFFAOYSA-N -1 1 350.132 2.849 20 5 FFBDMM CN(C)c1nc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392667 1039520205 /nfs/dbraw/zinc/52/02/05/1039520205.db2.gz HBHILCZEKQDNQY-UHFFFAOYSA-N -1 1 354.164 2.663 20 5 FFBDMM COc1cc(OCC(=O)Nc2cc(F)cc(F)c2[O-])ccc1[N+](=O)[O-] ZINC001299582184 1039987295 /nfs/dbraw/zinc/98/72/95/1039987295.db2.gz XHUNRZJHNGNZTO-UHFFFAOYSA-N -1 1 354.265 2.605 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CC(C)(C)CO2)cc1F ZINC001213682643 1040789602 /nfs/dbraw/zinc/78/96/02/1040789602.db2.gz MRFRFCVJUAXAEF-LLVKDONJSA-N -1 1 360.407 2.526 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCC2)CO1 ZINC001309855086 1043557877 /nfs/dbraw/zinc/55/78/77/1043557877.db2.gz IIRSCUMJBVFBAJ-LBPRGKRZSA-N -1 1 374.846 2.876 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CC1 ZINC001309882858 1043570086 /nfs/dbraw/zinc/57/00/86/1043570086.db2.gz JHLBWXBSXNGGLD-CQSZACIVSA-N -1 1 351.359 2.559 20 5 FFBDMM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1N1CCN(C)CC1 ZINC001320767637 1045464112 /nfs/dbraw/zinc/46/41/12/1045464112.db2.gz FCVSWLVSTJRDMU-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001321764667 1045792525 /nfs/dbraw/zinc/79/25/25/1045792525.db2.gz OFYQDQMJRNUJLT-UHFFFAOYSA-N -1 1 353.338 2.985 20 5 FFBDMM Cc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])s1 ZINC001327678995 1047995258 /nfs/dbraw/zinc/99/52/58/1047995258.db2.gz OPXIQVLAGQCHKH-UHFFFAOYSA-N -1 1 351.350 2.860 20 5 FFBDMM Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC001307155736 1052260229 /nfs/dbraw/zinc/26/02/29/1052260229.db2.gz SGGFVQLCNWMWOU-UHFFFAOYSA-N -1 1 352.354 2.635 20 5 FFBDMM CC(C)(C)OC(=O)Cn1cc([N-]c2nc3ccccn3c2[N+](=O)[O-])cn1 ZINC001345733706 1052592255 /nfs/dbraw/zinc/59/22/55/1052592255.db2.gz SDULQMBQEHDPGB-UHFFFAOYSA-N -1 1 358.358 2.524 20 5 FFBDMM COc1cnc(C(C)(C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c1=O ZINC001456151708 1060026758 /nfs/dbraw/zinc/02/67/58/1060026758.db2.gz KTVQQSKJQABYNE-UHFFFAOYSA-N -1 1 374.397 2.888 20 5 FFBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC001475151199 1060969180 /nfs/dbraw/zinc/96/91/80/1060969180.db2.gz BJQDMOJVJLHEOL-VQISRLSMSA-N -1 1 374.434 2.852 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC12CCOCC2 ZINC001475594146 1061155492 /nfs/dbraw/zinc/15/54/92/1061155492.db2.gz QGAFUBKZDBPQKA-LLVKDONJSA-N -1 1 374.846 2.733 20 5 FFBDMM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001463285775 1062035179 /nfs/dbraw/zinc/03/51/79/1062035179.db2.gz WMRWWFVRFUKQQC-UHFFFAOYSA-N -1 1 365.411 2.566 20 5 FFBDMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC001463843913 1062289966 /nfs/dbraw/zinc/28/99/66/1062289966.db2.gz NHAQZDNGJQFYSH-VHSXEESVSA-N -1 1 363.233 2.680 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)c([N+](=O)[O-])s1 ZINC001464030907 1062390494 /nfs/dbraw/zinc/39/04/94/1062390494.db2.gz YGXUZXAYDKWZPK-QWRGUYRKSA-N -1 1 356.828 2.948 20 5 FFBDMM Cc1ccncc1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001464040616 1062393981 /nfs/dbraw/zinc/39/39/81/1062393981.db2.gz YUPSPAXCYNMVOH-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccn1 ZINC001464059055 1062405333 /nfs/dbraw/zinc/40/53/33/1062405333.db2.gz BUMXZVWHKBQSOQ-VIFPVBQESA-N -1 1 373.793 2.864 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C)c1ccco1 ZINC001475042576 1065684281 /nfs/dbraw/zinc/68/42/81/1065684281.db2.gz DECYQIIFDTUEHU-LLVKDONJSA-N -1 1 374.802 2.816 20 5 FFBDMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335186 1078465690 /nfs/dbraw/zinc/46/56/90/1078465690.db2.gz NCUSJOBZSXJLAX-VXGBXAGGSA-N -1 1 364.431 2.986 20 5 FFBDMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335186 1078465692 /nfs/dbraw/zinc/46/56/92/1078465692.db2.gz NCUSJOBZSXJLAX-VXGBXAGGSA-N -1 1 364.431 2.986 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001584795588 1079389740 /nfs/dbraw/zinc/38/97/40/1079389740.db2.gz GYZOIHGGDJMXDT-UHFFFAOYSA-N -1 1 369.381 2.796 20 5 FFBDMM CC(C)(C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001584800160 1079390602 /nfs/dbraw/zinc/39/06/02/1079390602.db2.gz JJZCWHGQPVMUSR-UHFFFAOYSA-N -1 1 356.382 2.886 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)cccc21 ZINC001561975670 1076458164 /nfs/dbraw/zinc/45/81/64/1076458164.db2.gz PPQDVJYOCKUWBL-GFCCVEGCSA-N -1 1 370.333 2.675 20 5 FFBDMM CC(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC001574414416 1077983514 /nfs/dbraw/zinc/98/35/14/1077983514.db2.gz XXZOSJVQJPLNMJ-UHFFFAOYSA-N -1 1 372.410 2.890 20 5 FFBDMM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589800986 1080755304 /nfs/dbraw/zinc/75/53/04/1080755304.db2.gz FSEGBPIGMVPVDV-NOZJJQNGSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589800992 1080756509 /nfs/dbraw/zinc/75/65/09/1080756509.db2.gz FSEGBPIGMVPVDV-ZANVPECISA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](Cc1ccsc1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589901931 1080851187 /nfs/dbraw/zinc/85/11/87/1080851187.db2.gz HMDCQFPYQRICPT-QMMMGPOBSA-N -1 1 350.429 2.965 20 5 FFBDMM C[C@@H](Cc1ccsc1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589901931 1080851190 /nfs/dbraw/zinc/85/11/90/1080851190.db2.gz HMDCQFPYQRICPT-QMMMGPOBSA-N -1 1 350.429 2.965 20 5 FFBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001589980565 1080919051 /nfs/dbraw/zinc/91/90/51/1080919051.db2.gz CSAZSILSUXWQMX-VIFPVBQESA-N -1 1 350.342 2.824 20 5 FFBDMM COc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000272991626 252185632 /nfs/dbraw/zinc/18/56/32/252185632.db2.gz WDQBYIFJCCLTHA-UHFFFAOYSA-N -1 1 360.370 2.957 20 5 FFBDMM Cc1ccc([C@@](O)(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C(F)(F)F)o1 ZINC000278145836 256281595 /nfs/dbraw/zinc/28/15/95/256281595.db2.gz RBRFCNDABRIPSY-ZDUSSCGKSA-N -1 1 372.259 2.867 20 5 FFBDMM COC(=O)c1cc(C)nc([N-]c2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000287139368 257074187 /nfs/dbraw/zinc/07/41/87/257074187.db2.gz DOPHKYDSPUZHQY-UHFFFAOYSA-N -1 1 359.264 2.587 20 5 FFBDMM COc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1OC ZINC000288055746 257143448 /nfs/dbraw/zinc/14/34/48/257143448.db2.gz NFIHBRLRXNXHCR-SNVBAGLBSA-N -1 1 361.354 2.512 20 5 FFBDMM CO[C@@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302630305 258107257 /nfs/dbraw/zinc/10/72/57/258107257.db2.gz GLUAQVQLXZFSDA-LBPRGKRZSA-N -1 1 365.411 2.842 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000032592078 506268853 /nfs/dbraw/zinc/26/88/53/506268853.db2.gz PDQDEIWNCSMTSH-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccco3)s2)cc([N+](=O)[O-])c1 ZINC000053208309 506333236 /nfs/dbraw/zinc/33/32/36/506333236.db2.gz IUXMKRRRRLCOOW-UHFFFAOYSA-N -1 1 374.334 2.745 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)s1 ZINC000066001435 506409933 /nfs/dbraw/zinc/40/99/33/506409933.db2.gz AYSFGMDBVBMBRN-UHFFFAOYSA-N -1 1 367.452 2.735 20 5 FFBDMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066333860 506484003 /nfs/dbraw/zinc/48/40/03/506484003.db2.gz RRDZVSGBJWBAGE-LLVKDONJSA-N -1 1 356.425 2.711 20 5 FFBDMM CCSc1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000015301297 507030231 /nfs/dbraw/zinc/03/02/31/507030231.db2.gz UPGUWOTYSCIJPV-UHFFFAOYSA-N -1 1 368.396 2.597 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000069128833 507416174 /nfs/dbraw/zinc/41/61/74/507416174.db2.gz YADNKBKGKDBEFI-CYBMUJFWSA-N -1 1 366.399 2.531 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025375071 507494091 /nfs/dbraw/zinc/49/40/91/507494091.db2.gz BELSEPDDBZWXKH-VHSXEESVSA-N -1 1 352.334 2.994 20 5 FFBDMM CCN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244299 507787427 /nfs/dbraw/zinc/78/74/27/507787427.db2.gz IYYSKPGMDYZCQD-UHFFFAOYSA-N -1 1 369.468 2.851 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000064621335 507804937 /nfs/dbraw/zinc/80/49/37/507804937.db2.gz UTOGQJTVQOTOQV-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000031556063 507820168 /nfs/dbraw/zinc/82/01/68/507820168.db2.gz GYQVPVFUXDIUDQ-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031564913 507820274 /nfs/dbraw/zinc/82/02/74/507820274.db2.gz WWCKRAZVHGTCEY-MRXNPFEDSA-N -1 1 355.394 2.695 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000116602176 508537417 /nfs/dbraw/zinc/53/74/17/508537417.db2.gz QNACFUNCKVPZRE-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000157672574 508594978 /nfs/dbraw/zinc/59/49/78/508594978.db2.gz UQAJDAQLLVJIKD-MRVPVSSYSA-N -1 1 363.233 2.824 20 5 FFBDMM O=C(Nc1nnn[n-]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000118686054 508663658 /nfs/dbraw/zinc/66/36/58/508663658.db2.gz BCIBEHLEHLYHEI-UHFFFAOYSA-N -1 1 360.717 2.806 20 5 FFBDMM O=C(Nc1nn[n-]n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000118686054 508663663 /nfs/dbraw/zinc/66/36/63/508663663.db2.gz BCIBEHLEHLYHEI-UHFFFAOYSA-N -1 1 360.717 2.806 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129167362 508693015 /nfs/dbraw/zinc/69/30/15/508693015.db2.gz QUIHVEIEGGDHIO-LBPRGKRZSA-N -1 1 352.334 2.994 20 5 FFBDMM COc1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119504402 508809021 /nfs/dbraw/zinc/80/90/21/508809021.db2.gz BZOFTSBIBLEDIG-UHFFFAOYSA-N -1 1 370.814 2.778 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000146591912 508852779 /nfs/dbraw/zinc/85/27/79/508852779.db2.gz ZQZMVVIWONAWBQ-UHFFFAOYSA-N -1 1 370.814 2.996 20 5 FFBDMM Cc1sc(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000125604829 509006220 /nfs/dbraw/zinc/00/62/20/509006220.db2.gz WWIRNDHQTNYADA-NSHDSACASA-N -1 1 354.409 2.685 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1C ZINC000151881499 509103756 /nfs/dbraw/zinc/10/37/56/509103756.db2.gz IBVKWPIOFMSOJZ-UHFFFAOYSA-N -1 1 350.396 2.813 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000185871294 509397309 /nfs/dbraw/zinc/39/73/09/509397309.db2.gz YOOYBGDFBQASQC-UHFFFAOYSA-N -1 1 369.333 2.837 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000164464026 509505067 /nfs/dbraw/zinc/50/50/67/509505067.db2.gz RFEZFFRODNEWPJ-OAHLLOKOSA-N -1 1 359.382 2.769 20 5 FFBDMM O=C(NCCc1ccccc1OC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193689456 510021579 /nfs/dbraw/zinc/02/15/79/510021579.db2.gz ACHVRYXHEJJLJQ-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187105287 510060631 /nfs/dbraw/zinc/06/06/31/510060631.db2.gz BKPQGGVNRAPLRI-AWEZNQCLSA-N -1 1 374.372 2.542 20 5 FFBDMM COc1ccc(C[C@H](C)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193771566 510061704 /nfs/dbraw/zinc/06/17/04/510061704.db2.gz OPCXFGXVLZVANG-LBPRGKRZSA-N -1 1 359.382 2.655 20 5 FFBDMM CN(C)c1cccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187107966 510061799 /nfs/dbraw/zinc/06/17/99/510061799.db2.gz RLLVJHIMPFNABS-OAHLLOKOSA-N -1 1 356.382 2.739 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000268950457 510154805 /nfs/dbraw/zinc/15/48/05/510154805.db2.gz FDBIPZWHPHUEEX-LLVKDONJSA-N -1 1 360.819 2.628 20 5 FFBDMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000272039241 511409273 /nfs/dbraw/zinc/40/92/73/511409273.db2.gz KXLSKMOXMKCUNZ-NWDGAFQWSA-N -1 1 360.407 2.606 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000295508045 511428476 /nfs/dbraw/zinc/42/84/76/511428476.db2.gz FFXRMTBYSVOBRF-ZDUSSCGKSA-N -1 1 363.757 2.642 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000272144675 511445908 /nfs/dbraw/zinc/44/59/08/511445908.db2.gz KUMRGUIKEHVWSL-LBPRGKRZSA-N -1 1 354.384 2.552 20 5 FFBDMM CON(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCOc2ccccc21 ZINC000376415650 512810079 /nfs/dbraw/zinc/81/00/79/512810079.db2.gz PMPUNQRAOCXBNI-CYBMUJFWSA-N -1 1 359.338 2.613 20 5 FFBDMM CCOC(=O)c1cnc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000415645243 513359829 /nfs/dbraw/zinc/35/98/29/513359829.db2.gz HNHVAPMXYGOQLS-LBPRGKRZSA-N -1 1 360.370 2.702 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000415645243 513359838 /nfs/dbraw/zinc/35/98/38/513359838.db2.gz HNHVAPMXYGOQLS-LBPRGKRZSA-N -1 1 360.370 2.702 20 5 FFBDMM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cccc21 ZINC000447720213 513551915 /nfs/dbraw/zinc/55/19/15/513551915.db2.gz BCYNEEJSKXESPI-OAHLLOKOSA-N -1 1 357.366 2.938 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000416412052 513758523 /nfs/dbraw/zinc/75/85/23/513758523.db2.gz BLZPDAPAOXGBIX-ZDUSSCGKSA-N -1 1 368.411 2.779 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1 ZINC000416625518 513875004 /nfs/dbraw/zinc/87/50/04/513875004.db2.gz BRARALMZRYTEGT-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414380797 514079050 /nfs/dbraw/zinc/07/90/50/514079050.db2.gz JZOQYAQGMSMRFM-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM CCC(CC)n1ccc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)n1 ZINC000432934234 514326775 /nfs/dbraw/zinc/32/67/75/514326775.db2.gz RVZADJSMCPPTDW-UHFFFAOYSA-N -1 1 369.385 2.612 20 5 FFBDMM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000461861426 514758095 /nfs/dbraw/zinc/75/80/95/514758095.db2.gz FSKNQOWHLYHYHJ-HNNXBMFYSA-N -1 1 371.397 2.814 20 5 FFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000484959314 514857253 /nfs/dbraw/zinc/85/72/53/514857253.db2.gz NUMUIAFOHOSWAN-UHFFFAOYSA-N -1 1 350.253 2.943 20 5 FFBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509181755 515059127 /nfs/dbraw/zinc/05/91/27/515059127.db2.gz HOECCXMAVRCHDJ-LLVKDONJSA-N -1 1 367.793 2.825 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)cc1[N+](=O)[O-] ZINC000499268799 515263328 /nfs/dbraw/zinc/26/33/28/515263328.db2.gz TXOJEEGYTLSQLY-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000499286760 515269559 /nfs/dbraw/zinc/26/95/59/515269559.db2.gz NDCXEGVCSPOYOQ-UHFFFAOYSA-N -1 1 372.406 2.969 20 5 FFBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000499717922 515424391 /nfs/dbraw/zinc/42/43/91/515424391.db2.gz IOULPLZSKVMOAI-SCZZXKLOSA-N -1 1 363.233 2.824 20 5 FFBDMM CN(C)[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000486979656 515705938 /nfs/dbraw/zinc/70/59/38/515705938.db2.gz JOSREJXAFDIQFR-MRXNPFEDSA-N -1 1 371.372 2.921 20 5 FFBDMM C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461991 516936396 /nfs/dbraw/zinc/93/63/96/516936396.db2.gz AWZRCWGJGDQGCO-YWZLYKJASA-N -1 1 372.421 2.843 20 5 FFBDMM Cc1ccc([C@H](CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])N2CCCC2)o1 ZINC000520818454 517524074 /nfs/dbraw/zinc/52/40/74/517524074.db2.gz NLSJTYFFDHWHJD-AWEZNQCLSA-N -1 1 374.397 2.569 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)o2)c1 ZINC000546741585 517831639 /nfs/dbraw/zinc/83/16/39/517831639.db2.gz XICTVNZKLWMKHL-UHFFFAOYSA-N -1 1 354.370 2.927 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)o2)c1 ZINC000546741585 517831648 /nfs/dbraw/zinc/83/16/48/517831648.db2.gz XICTVNZKLWMKHL-UHFFFAOYSA-N -1 1 354.370 2.927 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000546795437 517861489 /nfs/dbraw/zinc/86/14/89/517861489.db2.gz VQKVPFQZXZSNIV-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(CO)cc2c1 ZINC000590597559 519281604 /nfs/dbraw/zinc/28/16/04/519281604.db2.gz CRLKTPCJSWXXGZ-UHFFFAOYSA-N -1 1 362.363 2.943 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000583997068 519539169 /nfs/dbraw/zinc/53/91/69/519539169.db2.gz ROROCNBBZROUJD-UHFFFAOYSA-N -1 1 374.372 2.539 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594489300 519998940 /nfs/dbraw/zinc/99/89/40/519998940.db2.gz YGZMCMXQYDZJHR-YPMHNXCESA-N -1 1 362.835 2.874 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000597694788 520180999 /nfs/dbraw/zinc/18/09/99/520180999.db2.gz XHLCWHBCCSWGMB-UHFFFAOYSA-N -1 1 359.386 2.821 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000592351953 520345946 /nfs/dbraw/zinc/34/59/46/520345946.db2.gz IWMVLYVFXHYXMS-UHFFFAOYSA-N -1 1 352.416 2.979 20 5 FFBDMM O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cncc([O-])c1 ZINC000609546700 520354018 /nfs/dbraw/zinc/35/40/18/520354018.db2.gz MBAFDOGZZQDSKJ-UHFFFAOYSA-N -1 1 370.287 2.556 20 5 FFBDMM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000595352928 520423132 /nfs/dbraw/zinc/42/31/32/520423132.db2.gz GPJMTHKVETUXOA-CABCVRRESA-N -1 1 370.452 2.693 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593629260 521120077 /nfs/dbraw/zinc/12/00/77/521120077.db2.gz JOVVUGCIVVFHNC-CQSZACIVSA-N -1 1 374.846 2.732 20 5 FFBDMM CCC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC ZINC000599367366 521177812 /nfs/dbraw/zinc/17/78/12/521177812.db2.gz HAJGPGOUTGCDDV-SNVBAGLBSA-N -1 1 350.824 2.732 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502909 521262352 /nfs/dbraw/zinc/26/23/52/521262352.db2.gz LGAQRIXDWMANFX-UHFFFAOYSA-N -1 1 352.334 2.996 20 5 FFBDMM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000612143698 521505304 /nfs/dbraw/zinc/50/53/04/521505304.db2.gz FCTQWBWTBFZZDU-GFCCVEGCSA-N -1 1 368.436 2.501 20 5 FFBDMM Cc1ccccc1CCc1cc(=NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[nH][nH]1 ZINC000484845568 561306945 /nfs/dbraw/zinc/30/69/45/561306945.db2.gz HCWVQQUEKSHSIB-UHFFFAOYSA-N -1 1 367.365 2.764 20 5 FFBDMM CN(C)[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000737359057 600075019 /nfs/dbraw/zinc/07/50/19/600075019.db2.gz RJIHZNIGXQUITK-LBPRGKRZSA-N -1 1 364.314 2.509 20 5 FFBDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000825273169 604021467 /nfs/dbraw/zinc/02/14/67/604021467.db2.gz PAZLSCNZNTUKDI-DZGCQCFKSA-N -1 1 373.413 2.784 20 5 FFBDMM Cc1c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])oc2ccc(F)cc12 ZINC000822027031 606703329 /nfs/dbraw/zinc/70/33/29/606703329.db2.gz COZYYEQTPKXBRV-UHFFFAOYSA-N -1 1 369.316 2.976 20 5 FFBDMM Cc1c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])oc2ccc(F)cc12 ZINC000822027031 606703330 /nfs/dbraw/zinc/70/33/30/606703330.db2.gz COZYYEQTPKXBRV-UHFFFAOYSA-N -1 1 369.316 2.976 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCCCc1ccccc1 ZINC000823625010 606707202 /nfs/dbraw/zinc/70/72/02/606707202.db2.gz NVACRZOOERVSKF-UHFFFAOYSA-N -1 1 353.386 2.995 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCCCc1ccccc1 ZINC000823625010 606707203 /nfs/dbraw/zinc/70/72/03/606707203.db2.gz NVACRZOOERVSKF-UHFFFAOYSA-N -1 1 353.386 2.995 20 5 FFBDMM CC(C)(C)c1csc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000819966062 606708130 /nfs/dbraw/zinc/70/81/30/606708130.db2.gz UXZAXKOWWHXSSQ-UHFFFAOYSA-N -1 1 360.403 2.536 20 5 FFBDMM CC(C)(C)c1csc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000819966062 606708131 /nfs/dbraw/zinc/70/81/31/606708131.db2.gz UXZAXKOWWHXSSQ-UHFFFAOYSA-N -1 1 360.403 2.536 20 5 FFBDMM COc1ccc([C@@H](C)CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821777655 606712521 /nfs/dbraw/zinc/71/25/21/606712521.db2.gz KIOOTCGAYBIBTH-NSHDSACASA-N -1 1 369.385 2.784 20 5 FFBDMM COc1ccc([C@@H](C)CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821777655 606712523 /nfs/dbraw/zinc/71/25/23/606712523.db2.gz KIOOTCGAYBIBTH-NSHDSACASA-N -1 1 369.385 2.784 20 5 FFBDMM CCOCCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC000821373073 606720678 /nfs/dbraw/zinc/72/06/78/606720678.db2.gz DIAVNISAVRFGSN-UHFFFAOYSA-N -1 1 361.406 2.569 20 5 FFBDMM CCOCCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC000821373073 606720680 /nfs/dbraw/zinc/72/06/80/606720680.db2.gz DIAVNISAVRFGSN-UHFFFAOYSA-N -1 1 361.406 2.569 20 5 FFBDMM CC(C)Oc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820155035 607166749 /nfs/dbraw/zinc/16/67/49/607166749.db2.gz IAGNHUMFNKZPCD-UHFFFAOYSA-N -1 1 369.385 2.612 20 5 FFBDMM CC(C)Oc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820155035 607166751 /nfs/dbraw/zinc/16/67/51/607166751.db2.gz IAGNHUMFNKZPCD-UHFFFAOYSA-N -1 1 369.385 2.612 20 5 FFBDMM CN(Cc1ccc(Cl)c(F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825966203 608099503 /nfs/dbraw/zinc/09/95/03/608099503.db2.gz SNLHKYHXFWHUEE-UHFFFAOYSA-N -1 1 363.740 2.599 20 5 FFBDMM CN(Cc1ccc(Cl)c(F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825966203 608099504 /nfs/dbraw/zinc/09/95/04/608099504.db2.gz SNLHKYHXFWHUEE-UHFFFAOYSA-N -1 1 363.740 2.599 20 5 FFBDMM CS(=O)(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cs1 ZINC000157097235 728865743 /nfs/dbraw/zinc/86/57/43/728865743.db2.gz XUILQQYPPUJEKF-UHFFFAOYSA-N -1 1 362.335 2.590 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000171069145 728996287 /nfs/dbraw/zinc/99/62/87/728996287.db2.gz JMXKXBGITSWOTH-NSHDSACASA-N -1 1 352.799 2.866 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1F ZINC000173732970 729053058 /nfs/dbraw/zinc/05/30/58/729053058.db2.gz ARVNBPUEVUYSHD-JTQLQIEISA-N -1 1 372.349 2.619 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000195235443 729533466 /nfs/dbraw/zinc/53/34/66/729533466.db2.gz AUCPMJLGLWDGNK-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM O=C([N-]N1CCOC1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000862702043 730719674 /nfs/dbraw/zinc/71/96/74/730719674.db2.gz VAODMPMFWACMIE-UHFFFAOYSA-N -1 1 351.384 2.727 20 5 FFBDMM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000732817071 734768001 /nfs/dbraw/zinc/76/80/01/734768001.db2.gz AQJLGADPRWZOOE-SNVBAGLBSA-N -1 1 356.379 2.551 20 5 FFBDMM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742313227 735225378 /nfs/dbraw/zinc/22/53/78/735225378.db2.gz PHDNQCZSLIVQMW-HOCLYGCPSA-N -1 1 350.371 2.742 20 5 FFBDMM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751469275 735882112 /nfs/dbraw/zinc/88/21/12/735882112.db2.gz VAXBBZMSBKBQKQ-ZDUSSCGKSA-N -1 1 370.814 2.569 20 5 FFBDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2[nH]1 ZINC000759146475 736550909 /nfs/dbraw/zinc/55/09/09/736550909.db2.gz GMDHEXCXWYAHDW-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]nc1C1CC1 ZINC000760321243 736629579 /nfs/dbraw/zinc/62/95/79/736629579.db2.gz SYCZBMICQHAVFZ-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM CC[C@@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818625 741347531 /nfs/dbraw/zinc/34/75/31/741347531.db2.gz MOGXVROYPGOYFX-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM CSc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC000771798219 737756712 /nfs/dbraw/zinc/75/67/12/737756712.db2.gz KETWZZAPRKAGMT-UHFFFAOYSA-N -1 1 373.843 2.844 20 5 FFBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C(=O)[O-] ZINC000923263380 738262934 /nfs/dbraw/zinc/26/29/34/738262934.db2.gz MFEWSFAUUXVFRR-JOYOIKCWSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccnc1 ZINC000795829961 740068378 /nfs/dbraw/zinc/06/83/78/740068378.db2.gz UZIYYMGKBLVWPW-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM Cc1c([N-]C(=O)c2cc(S(C)(=O)=O)ccc2F)c(F)ccc1[N+](=O)[O-] ZINC000800148378 740492077 /nfs/dbraw/zinc/49/20/77/740492077.db2.gz BTRHIWDUMOVYQN-UHFFFAOYSA-N -1 1 370.333 2.837 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000808125400 741190002 /nfs/dbraw/zinc/19/00/02/741190002.db2.gz XFDGJDGYXJKCPR-UHFFFAOYSA-N -1 1 362.363 2.683 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808341019 741215889 /nfs/dbraw/zinc/21/58/89/741215889.db2.gz UNIARMYVMUJIST-MEBBXXQBSA-N -1 1 370.814 2.649 20 5 FFBDMM COCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809392905 741305107 /nfs/dbraw/zinc/30/51/07/741305107.db2.gz KKQOKSBGEGYEMZ-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM C[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCOC1 ZINC000809829875 741350378 /nfs/dbraw/zinc/35/03/78/741350378.db2.gz NRFDZGKRJPLBSM-GFCCVEGCSA-N -1 1 369.226 2.749 20 5 FFBDMM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034248 741887583 /nfs/dbraw/zinc/88/75/83/741887583.db2.gz ITBKIXCFFLJHEY-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM CCC(O)(CC)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830614541 745393193 /nfs/dbraw/zinc/39/31/93/745393193.db2.gz KFQNGOXTOAVBTJ-UHFFFAOYSA-N -1 1 371.242 2.731 20 5 FFBDMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831877422 745598660 /nfs/dbraw/zinc/59/86/60/745598660.db2.gz JSQAYDWFFJBUPU-VIFPVBQESA-N -1 1 369.226 2.747 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000832180863 745652410 /nfs/dbraw/zinc/65/24/10/745652410.db2.gz VWPKTRUBSFTACN-QMMMGPOBSA-N -1 1 354.762 2.962 20 5 FFBDMM O=C([O-])N[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000834150189 745804678 /nfs/dbraw/zinc/80/46/78/745804678.db2.gz MAZIZTYLFYXVLS-AWEZNQCLSA-N -1 1 362.411 2.854 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH]nc1C1CC1 ZINC000840949532 747239291 /nfs/dbraw/zinc/23/92/91/747239291.db2.gz ZZUOLSREPZFSRB-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CS1 ZINC000841558629 747398572 /nfs/dbraw/zinc/39/85/72/747398572.db2.gz JKNRLFHBXCZVER-NKWVEPMBSA-N -1 1 354.812 2.560 20 5 FFBDMM Cc1nnc([C@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848587371 748967422 /nfs/dbraw/zinc/96/74/22/748967422.db2.gz GJCRKAQYKMRSKQ-ZETCQYMHSA-N -1 1 358.326 2.604 20 5 FFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1 ZINC000849412478 749140658 /nfs/dbraw/zinc/14/06/58/749140658.db2.gz OXZLAJPAMKESNK-SSDOTTSWSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119588916 845635664 /nfs/dbraw/zinc/63/56/64/845635664.db2.gz MXMXJPUGICJGHL-UHFFFAOYSA-N -1 1 351.340 2.921 20 5 FFBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1C ZINC001597555671 988282226 /nfs/dbraw/zinc/28/22/26/988282226.db2.gz AQHUUBHWLOWDHT-UHFFFAOYSA-N -1 1 364.379 2.965 20 5 FFBDMM C[C@H](CO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000762899961 988742793 /nfs/dbraw/zinc/74/27/93/988742793.db2.gz PZVBPDMYJOUJFU-NEPJUHHUSA-N -1 1 367.402 2.659 20 5 FFBDMM C[C@@](NCc1cc([N+](=O)[O-])cc2c1OCOC2)(C(=O)[O-])c1ccccc1 ZINC001593293060 994681033 /nfs/dbraw/zinc/68/10/33/994681033.db2.gz SGVBREDOISOKNW-SFHVURJKSA-N -1 1 358.350 2.551 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCc2ccccc21 ZINC000769047527 1000412552 /nfs/dbraw/zinc/41/25/52/1000412552.db2.gz OIDZDRQOILHJGY-GFCCVEGCSA-N -1 1 370.361 2.825 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCC2)O1 ZINC001194066819 1004643939 /nfs/dbraw/zinc/64/39/39/1004643939.db2.gz PHEPXDXOBWMNCI-NSHDSACASA-N -1 1 360.819 2.628 20 5 FFBDMM COC(=O)NC(=S)N(c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1N ZINC001201231450 1005180793 /nfs/dbraw/zinc/18/07/93/1005180793.db2.gz IOPZHSQUOXWDNX-UHFFFAOYSA-N -1 1 362.367 2.662 20 5 FFBDMM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2nc3ccc(Cl)nc3[n-]2)n1 ZINC001217552547 1032779349 /nfs/dbraw/zinc/77/93/49/1032779349.db2.gz KQBPQGBWTYMRLY-UHFFFAOYSA-N -1 1 361.680 2.771 20 5 FFBDMM O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)cc1[O-] ZINC000801202819 1018734167 /nfs/dbraw/zinc/73/41/67/1018734167.db2.gz CKRUNNVRLSLXSK-UHFFFAOYSA-N -1 1 369.333 2.722 20 5 FFBDMM CC[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000780075092 1019594326 /nfs/dbraw/zinc/59/43/26/1019594326.db2.gz IZKTYDXIDDLIJM-MRXNPFEDSA-N -1 1 374.349 2.883 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c([O-])cc(F)cc1F ZINC000116405337 1022401691 /nfs/dbraw/zinc/40/16/91/1022401691.db2.gz VOWSFQYOBOCPPC-UHFFFAOYSA-N -1 1 366.276 2.683 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@H]3C[C@@H](O)C3)c([N+](=O)[O-])c2)cc1 ZINC001218432365 1033152621 /nfs/dbraw/zinc/15/26/21/1033152621.db2.gz QJFSSTSGYRRBOS-JNSHFYNHSA-N -1 1 357.362 2.990 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)c1 ZINC000758148400 1023942448 /nfs/dbraw/zinc/94/24/48/1023942448.db2.gz VMTUSYBJOJKVBI-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc4oc5ccccc5c(=O)c4c3)c1-2 ZINC001153415882 1027870021 /nfs/dbraw/zinc/87/00/21/1027870021.db2.gz QRSJNASBVIPVEJ-UHFFFAOYSA-N -1 1 371.356 2.547 20 5 FFBDMM CCc1cc(=O)[n-]c(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC001166030766 1030211722 /nfs/dbraw/zinc/21/17/22/1030211722.db2.gz VSJQMEKXXDVYHM-UHFFFAOYSA-N -1 1 359.367 2.995 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001225665709 1034358777 /nfs/dbraw/zinc/35/87/77/1034358777.db2.gz DMDVGZAXWCXJFU-GRYCIOLGSA-N -1 1 365.386 2.862 20 5 FFBDMM C[C@H]1OCc2c1nc(=O)[n-]c2OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001227716307 1035694321 /nfs/dbraw/zinc/69/43/21/1035694321.db2.gz OBSJPUHMDBBFDU-LLVKDONJSA-N -1 1 372.381 2.729 20 5 FFBDMM CSc1nc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)[n-]1 ZINC001228090852 1035925434 /nfs/dbraw/zinc/92/54/34/1035925434.db2.gz OZXVXXTZYUAKNT-UHFFFAOYSA-N -1 1 362.411 2.860 20 5 FFBDMM O=c1[n-]cnc(O[C@@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC001228141181 1035957111 /nfs/dbraw/zinc/95/71/11/1035957111.db2.gz PEJIHLZVCQPDTQ-SNVBAGLBSA-N -1 1 352.144 2.919 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C(C)(C)C1 ZINC001228140045 1035958587 /nfs/dbraw/zinc/95/85/87/1035958587.db2.gz FGPNYKAPTMCSOY-SNVBAGLBSA-N -1 1 368.390 2.505 20 5 FFBDMM COC(=O)c1n[n-]c(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])n1 ZINC001228313199 1036043986 /nfs/dbraw/zinc/04/39/86/1036043986.db2.gz GIYPESFEQCZNEG-AWEZNQCLSA-N -1 1 354.322 2.668 20 5 FFBDMM COC(=O)c1nc(O[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])n[n-]1 ZINC001228313199 1036044006 /nfs/dbraw/zinc/04/40/06/1036044006.db2.gz GIYPESFEQCZNEG-AWEZNQCLSA-N -1 1 354.322 2.668 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC001228809479 1036335845 /nfs/dbraw/zinc/33/58/45/1036335845.db2.gz GHAUNSSUBWTSGR-AWEZNQCLSA-N -1 1 372.377 2.740 20 5 FFBDMM Cc1nc(O[C@H]2Cc3ccc(Br)cc3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376407 1036638639 /nfs/dbraw/zinc/63/86/39/1036638639.db2.gz UONKPNSBYYCKPH-NSHDSACASA-N -1 1 366.171 2.708 20 5 FFBDMM Cc1cc([O-])c(O[C@H](CC(=O)OC(C)C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC001229750200 1036870513 /nfs/dbraw/zinc/87/05/13/1036870513.db2.gz LEIXWWCKZWDGHS-OAHLLOKOSA-N -1 1 369.370 2.650 20 5 FFBDMM Cc1cc([O-])c(O[C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229754443 1036873917 /nfs/dbraw/zinc/87/39/17/1036873917.db2.gz PTQLERWFIXZDCH-SNVBAGLBSA-N -1 1 352.343 2.524 20 5 FFBDMM CC1(C)OC[C@H](COc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)O1 ZINC001229800869 1036906876 /nfs/dbraw/zinc/90/68/76/1036906876.db2.gz BJKDRMMOBWVQJW-NSHDSACASA-N -1 1 358.346 2.888 20 5 FFBDMM CC1(C)OC[C@H](COc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)O1 ZINC001234125244 1036928354 /nfs/dbraw/zinc/92/83/54/1036928354.db2.gz PRXDIJTYVXEFSZ-JTQLQIEISA-N -1 1 374.345 2.593 20 5 FFBDMM COC(=O)[C@H]1C[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234748117 1037164256 /nfs/dbraw/zinc/16/42/56/1037164256.db2.gz PGFSYCMWWGQIJS-JGZJWPJOSA-N -1 1 356.330 2.688 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCC2 ZINC001251155535 1038974779 /nfs/dbraw/zinc/97/47/79/1038974779.db2.gz FOFKTOKNXXYAOG-UHFFFAOYSA-N -1 1 350.371 2.701 20 5 FFBDMM COC(=O)c1cc(Br)cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210396416 1039522220 /nfs/dbraw/zinc/52/22/20/1039522220.db2.gz QZHOOPJYEMBJOH-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM Cc1ccccc1CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001210777880 1039726314 /nfs/dbraw/zinc/72/63/14/1039726314.db2.gz CDDYGTOTYZUDLG-UHFFFAOYSA-N -1 1 352.387 2.872 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)cc1F ZINC001213216247 1040345841 /nfs/dbraw/zinc/34/58/41/1040345841.db2.gz SWOZSOQYVGQSCK-UHFFFAOYSA-N -1 1 374.434 2.652 20 5 FFBDMM COCC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001325196225 1046412104 /nfs/dbraw/zinc/41/21/04/1046412104.db2.gz BROHWJQLGKLGIB-UHFFFAOYSA-N -1 1 357.215 2.605 20 5 FFBDMM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001309029414 1052542804 /nfs/dbraw/zinc/54/28/04/1052542804.db2.gz QGMJEZXGPBZTPB-UHFFFAOYSA-N -1 1 368.386 2.708 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC001309043208 1052544784 /nfs/dbraw/zinc/54/47/84/1052544784.db2.gz GAISYEMUAOOSPM-SECBINFHSA-N -1 1 373.337 2.631 20 5 FFBDMM Cc1ccc(CN2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)cc1 ZINC001455009359 1059668845 /nfs/dbraw/zinc/66/88/45/1059668845.db2.gz IEVFAANYEXJIMO-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM O=C(NCCOc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457844138 1060455710 /nfs/dbraw/zinc/45/57/10/1060455710.db2.gz IKYFCLXYYYFYNG-UHFFFAOYSA-N -1 1 372.164 2.811 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCc1ccco1 ZINC001475533426 1061128418 /nfs/dbraw/zinc/12/84/18/1061128418.db2.gz YVKUAIRKBXQROK-UHFFFAOYSA-N -1 1 362.766 2.891 20 5 FFBDMM O=C([N-]c1nc2n(n1)CCCC2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001460883079 1061138452 /nfs/dbraw/zinc/13/84/52/1061138452.db2.gz YVJDVOPCKJECRM-UHFFFAOYSA-N -1 1 364.365 2.837 20 5 FFBDMM C[S@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001472333288 1065020735 /nfs/dbraw/zinc/02/07/35/1065020735.db2.gz GXTQXHAAJJNTLF-HSZRJFAPSA-N -1 1 355.759 2.646 20 5 FFBDMM Cc1cnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c1=O ZINC001473035786 1065185249 /nfs/dbraw/zinc/18/52/49/1065185249.db2.gz NICFSIDKESYXPW-MRVPVSSYSA-N -1 1 352.347 2.657 20 5 FFBDMM N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC001580115325 1078751935 /nfs/dbraw/zinc/75/19/35/1078751935.db2.gz SNVDTFYQFZQBDA-ZDUSSCGKSA-N -1 1 355.272 2.958 20 5 FFBDMM Cc1ccccc1C(F)(F)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001581252805 1078946385 /nfs/dbraw/zinc/94/63/85/1078946385.db2.gz AWVIEVKOIDKUGF-UHFFFAOYSA-N -1 1 361.312 2.682 20 5 FFBDMM Cc1ccccc1C(F)(F)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001581252805 1078946391 /nfs/dbraw/zinc/94/63/91/1078946391.db2.gz AWVIEVKOIDKUGF-UHFFFAOYSA-N -1 1 361.312 2.682 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCOc2c(F)cccc21 ZINC001582804669 1079110671 /nfs/dbraw/zinc/11/06/71/1079110671.db2.gz JLMXVIZYWNYJJT-VIFPVBQESA-N -1 1 362.346 2.911 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCOc2c(F)cccc21 ZINC001582804669 1079110677 /nfs/dbraw/zinc/11/06/77/1079110677.db2.gz JLMXVIZYWNYJJT-VIFPVBQESA-N -1 1 362.346 2.911 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)n1 ZINC001585679775 1079487307 /nfs/dbraw/zinc/48/73/07/1079487307.db2.gz XOYJOTWOEOUEAY-UHFFFAOYSA-N -1 1 355.379 2.993 20 5 FFBDMM COc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001561774435 1076421043 /nfs/dbraw/zinc/42/10/43/1076421043.db2.gz MTMGKJWTOAIHOS-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CCCC1 ZINC001561784401 1076422098 /nfs/dbraw/zinc/42/20/98/1076422098.db2.gz UNINTKZKGGUMFR-AWEZNQCLSA-N -1 1 360.407 2.526 20 5 FFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc2n[n-]c(=S)n2c1 ZINC001566173000 1076928920 /nfs/dbraw/zinc/92/89/20/1076928920.db2.gz KVZXFQJQUMHNRQ-UHFFFAOYSA-N -1 1 371.422 2.679 20 5 FFBDMM C[C@@]1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590152559 1081053325 /nfs/dbraw/zinc/05/33/25/1081053325.db2.gz DDWYYNQBEQIWFT-GOSISDBHSA-N -1 1 350.382 2.943 20 5 FFBDMM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000451676841 513905217 /nfs/dbraw/zinc/90/52/17/513905217.db2.gz TWZCBDJCDIWJSP-CABZTGNLSA-N -1 1 350.824 2.588 20 5 FFBDMM C[C@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272494019 252051489 /nfs/dbraw/zinc/05/14/89/252051489.db2.gz IAKHOYXWKUPYTC-MRVPVSSYSA-N -1 1 356.247 2.770 20 5 FFBDMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000277338752 256187027 /nfs/dbraw/zinc/18/70/27/256187027.db2.gz OSKOCRFWSBSRBP-OAHLLOKOSA-N -1 1 360.366 2.918 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1nccs1 ZINC000290183819 257319141 /nfs/dbraw/zinc/31/91/41/257319141.db2.gz RDNVXIASRRGMLV-UHFFFAOYSA-N -1 1 361.832 2.616 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000290859739 257361246 /nfs/dbraw/zinc/36/12/46/257361246.db2.gz XGKCUPUGEVMWDS-JGVFFNPUSA-N -1 1 369.226 2.605 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000410172173 512217812 /nfs/dbraw/zinc/21/78/12/512217812.db2.gz PAEUNZZADXAVQM-AWEZNQCLSA-N -1 1 370.406 2.626 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000054293623 506533607 /nfs/dbraw/zinc/53/36/07/506533607.db2.gz IOSWCVATQUVCRT-UHFFFAOYSA-N -1 1 362.342 2.720 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1 ZINC000014230848 506980266 /nfs/dbraw/zinc/98/02/66/506980266.db2.gz RLWWYTQWWVAOJA-UHFFFAOYSA-N -1 1 358.379 2.640 20 5 FFBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000030530427 507809920 /nfs/dbraw/zinc/80/99/20/507809920.db2.gz BEHUXTVRTJMDFV-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072993778 507882247 /nfs/dbraw/zinc/88/22/47/507882247.db2.gz LMVLLBFRXKGJFM-MRVPVSSYSA-N -1 1 359.791 2.893 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)s1 ZINC000076851513 508258575 /nfs/dbraw/zinc/25/85/75/508258575.db2.gz GUKFJVCPCZNUSB-CYBMUJFWSA-N -1 1 352.437 2.956 20 5 FFBDMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000085637994 508315294 /nfs/dbraw/zinc/31/52/94/508315294.db2.gz BGYQCQKIZVEXTI-UHFFFAOYSA-N -1 1 350.404 2.596 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000127874047 508513765 /nfs/dbraw/zinc/51/37/65/508513765.db2.gz VVIRSCPNGCCIFY-UHFFFAOYSA-N -1 1 364.774 2.753 20 5 FFBDMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124157538 508790114 /nfs/dbraw/zinc/79/01/14/508790114.db2.gz AZQTYEJWOPMDTM-NSHDSACASA-N -1 1 364.851 2.571 20 5 FFBDMM CN(CCCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131419910 508929246 /nfs/dbraw/zinc/92/92/46/508929246.db2.gz WMDIOGFMFHYOJS-UHFFFAOYSA-N -1 1 365.773 2.890 20 5 FFBDMM Cc1ccc(C)c([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000185742994 509334819 /nfs/dbraw/zinc/33/48/19/509334819.db2.gz ILJRLACBKZJIBK-CXAGYDPISA-N -1 1 371.393 2.914 20 5 FFBDMM CC[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000185799966 509361325 /nfs/dbraw/zinc/36/13/25/509361325.db2.gz RAUPVSKCSQNBGX-NSHDSACASA-N -1 1 365.773 2.936 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000163670145 509409029 /nfs/dbraw/zinc/40/90/29/509409029.db2.gz QIJQVQRJFLHJJQ-UHFFFAOYSA-N -1 1 364.774 2.753 20 5 FFBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC2)n1 ZINC000173462261 509616207 /nfs/dbraw/zinc/61/62/07/509616207.db2.gz VINQHXBWDIOISB-LLVKDONJSA-N -1 1 359.454 2.851 20 5 FFBDMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000179866972 509654906 /nfs/dbraw/zinc/65/49/06/509654906.db2.gz RKGXDWCNUNOHLZ-NWDGAFQWSA-N -1 1 362.473 2.918 20 5 FFBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1F ZINC000176924847 509770414 /nfs/dbraw/zinc/77/04/14/509770414.db2.gz JUISZXILSKGHIE-JTQLQIEISA-N -1 1 374.415 2.931 20 5 FFBDMM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186965701 509977944 /nfs/dbraw/zinc/97/79/44/509977944.db2.gz QILRNHPZAUOJAS-UHFFFAOYSA-N -1 1 371.271 2.523 20 5 FFBDMM COc1ccccc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000193734716 510042485 /nfs/dbraw/zinc/04/24/85/510042485.db2.gz CLSNNXFKFCMBTI-INIZCTEOSA-N -1 1 369.333 2.816 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)s1 ZINC000194392394 510341223 /nfs/dbraw/zinc/34/12/23/510341223.db2.gz UGASMYWXDBFKEL-UHFFFAOYSA-N -1 1 351.409 2.659 20 5 FFBDMM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000285625651 510983320 /nfs/dbraw/zinc/98/33/20/510983320.db2.gz ZSNAPIBAGSYIGZ-UHFFFAOYSA-N -1 1 357.363 2.552 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000283108529 511238381 /nfs/dbraw/zinc/23/83/81/511238381.db2.gz XEVCGLJJEYHPRH-OAHLLOKOSA-N -1 1 364.379 2.563 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000324513578 511838084 /nfs/dbraw/zinc/83/80/84/511838084.db2.gz UVSVXTXKVRXCQC-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)s1 ZINC000372019168 512681368 /nfs/dbraw/zinc/68/13/68/512681368.db2.gz UAXPLOXPTYMQBL-UHFFFAOYSA-N -1 1 365.392 2.790 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000368393162 512927561 /nfs/dbraw/zinc/92/75/61/512927561.db2.gz MTQXFSORVHZXQG-UHFFFAOYSA-N -1 1 350.294 2.773 20 5 FFBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372722280 513015480 /nfs/dbraw/zinc/01/54/80/513015480.db2.gz ADCKBOGEDSNWLN-UHFFFAOYSA-N -1 1 369.377 2.618 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)[nH]n2)o1 ZINC000446617727 513297673 /nfs/dbraw/zinc/29/76/73/513297673.db2.gz OOWBLZWZFUXVPD-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OCCF ZINC000451087830 513509943 /nfs/dbraw/zinc/50/99/43/513509943.db2.gz VLBQHVFWHAKQTN-UHFFFAOYSA-N -1 1 368.386 2.928 20 5 FFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(F)(F)F ZINC000443937501 514075539 /nfs/dbraw/zinc/07/55/39/514075539.db2.gz HPKNZWAQSUPAAH-UFBFGSQYSA-N -1 1 370.349 2.859 20 5 FFBDMM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000452088732 514183886 /nfs/dbraw/zinc/18/38/86/514183886.db2.gz ORRSBQQCNZICFD-VIFPVBQESA-N -1 1 374.415 2.714 20 5 FFBDMM O=C(NCCCCOc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444830668 514344902 /nfs/dbraw/zinc/34/49/02/514344902.db2.gz UYBFZWOTFGKKPZ-UHFFFAOYSA-N -1 1 365.773 2.938 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000438728534 514431425 /nfs/dbraw/zinc/43/14/25/514431425.db2.gz UNCUENCSUBULME-UHFFFAOYSA-N -1 1 364.379 2.745 20 5 FFBDMM COc1ccc(C2(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCC2)cc1 ZINC000445160844 514431901 /nfs/dbraw/zinc/43/19/01/514431901.db2.gz PEICMRBGGOGQAQ-UHFFFAOYSA-N -1 1 357.366 2.556 20 5 FFBDMM Cc1cc(C)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471118734 514760013 /nfs/dbraw/zinc/76/00/13/514760013.db2.gz JNMHLHNGWUEDKE-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM O=C(c1cc(F)cc2nn[nH]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000503748499 515136083 /nfs/dbraw/zinc/13/60/83/515136083.db2.gz OSUNMIHTGKFKRD-UHFFFAOYSA-N -1 1 355.329 2.810 20 5 FFBDMM CC(C)CCc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000468818905 515534148 /nfs/dbraw/zinc/53/41/48/515534148.db2.gz DPXOILSTJOJMSM-UHFFFAOYSA-N -1 1 366.443 2.891 20 5 FFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1Cl ZINC000488572006 516263777 /nfs/dbraw/zinc/26/37/77/516263777.db2.gz HXJUSQQOODFRDK-VIFPVBQESA-N -1 1 351.746 2.546 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCCc1ccc(F)cc1 ZINC000547966196 516663527 /nfs/dbraw/zinc/66/35/27/516663527.db2.gz RJBREPVSBBSDMP-UHFFFAOYSA-N -1 1 367.402 2.820 20 5 FFBDMM CCOC(=O)c1cc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])c(F)cc1C ZINC000551681876 516817266 /nfs/dbraw/zinc/81/72/66/516817266.db2.gz ZGXOIFMGGSQRTH-UHFFFAOYSA-N -1 1 364.333 2.688 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)c2cccc3cnccc32)cccc1[N+](=O)[O-] ZINC000562319904 517030015 /nfs/dbraw/zinc/03/00/15/517030015.db2.gz HOFSSCJAFYYOIZ-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702275 517125601 /nfs/dbraw/zinc/12/56/01/517125601.db2.gz JCAULAARJKOYOU-CYBMUJFWSA-N -1 1 369.830 2.943 20 5 FFBDMM COc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000556321231 517368672 /nfs/dbraw/zinc/36/86/72/517368672.db2.gz HXMMTJWPOPZRLO-SFHVURJKSA-N -1 1 360.341 2.758 20 5 FFBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000546628316 517764678 /nfs/dbraw/zinc/76/46/78/517764678.db2.gz ANKTWLNAVRAVNZ-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000534207296 517787174 /nfs/dbraw/zinc/78/71/74/517787174.db2.gz VHBAQLOCKDBROL-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C ZINC000542930639 517822658 /nfs/dbraw/zinc/82/26/58/517822658.db2.gz RVKRUDWMYXVGKT-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000516786082 517844427 /nfs/dbraw/zinc/84/44/27/517844427.db2.gz PXTUBSQDMZLUIV-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000521990681 517937248 /nfs/dbraw/zinc/93/72/48/517937248.db2.gz ROFFLDWRZAEGPW-UHFFFAOYSA-N -1 1 364.379 2.729 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000576151126 518453117 /nfs/dbraw/zinc/45/31/17/518453117.db2.gz ZGXZKWWTKFGPLW-UHFFFAOYSA-N -1 1 363.351 2.859 20 5 FFBDMM COc1ccc(OCCN(C)Cc2cc(C(=O)[O-])c(C)o2)c([N+](=O)[O-])c1 ZINC000565105170 518789235 /nfs/dbraw/zinc/78/92/35/518789235.db2.gz OBHLRWNJQVXWRM-UHFFFAOYSA-N -1 1 364.354 2.714 20 5 FFBDMM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000565913838 519193736 /nfs/dbraw/zinc/19/37/36/519193736.db2.gz JYYMGHFNIIBSSD-GFCCVEGCSA-N -1 1 360.370 2.827 20 5 FFBDMM NC(=O)c1ccnc([N-]c2cnn(-c3ccc(Cl)cc3)c2)c1[N+](=O)[O-] ZINC000580864936 519396602 /nfs/dbraw/zinc/39/66/02/519396602.db2.gz DFUBWHBGYLDSRW-UHFFFAOYSA-N -1 1 358.745 2.671 20 5 FFBDMM CCOc1ccc(C[C@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000590891711 519423591 /nfs/dbraw/zinc/42/35/91/519423591.db2.gz KATBKBRHJCMVFQ-LBPRGKRZSA-N -1 1 359.382 2.703 20 5 FFBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000578330496 519540031 /nfs/dbraw/zinc/54/00/31/519540031.db2.gz PBTXIOYLOCHMEF-MWLCHTKSSA-N -1 1 374.340 2.542 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594472832 519983184 /nfs/dbraw/zinc/98/31/84/519983184.db2.gz GKMPTUPSAJITOM-ZIAGYGMSSA-N -1 1 374.846 2.874 20 5 FFBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000597612639 520135954 /nfs/dbraw/zinc/13/59/54/520135954.db2.gz ZNDLKRAVSSAIHV-SECBINFHSA-N -1 1 366.761 2.665 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000609134395 520201589 /nfs/dbraw/zinc/20/15/89/520201589.db2.gz XMYCWYCHOPXRDV-MRVPVSSYSA-N -1 1 363.233 2.682 20 5 FFBDMM CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000603595399 520321143 /nfs/dbraw/zinc/32/11/43/520321143.db2.gz LBQMYBWXAYRNEM-JTQLQIEISA-N -1 1 361.354 2.594 20 5 FFBDMM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000595352899 520423844 /nfs/dbraw/zinc/42/38/44/520423844.db2.gz FZOXZRRGOSMBIX-IRXDYDNUSA-N -1 1 364.423 2.631 20 5 FFBDMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610231385 520591728 /nfs/dbraw/zinc/59/17/28/520591728.db2.gz RMFUKTQOGUBMDE-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000610266624 520613015 /nfs/dbraw/zinc/61/30/15/520613015.db2.gz IBSDORXJENYNDG-CHWSQXEVSA-N -1 1 374.846 2.874 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCC(C)C)c([N+](=O)[O-])n1 ZINC000611105512 520986141 /nfs/dbraw/zinc/98/61/41/520986141.db2.gz ZWWSNRRNHYCVLE-STQMWFEESA-N -1 1 358.464 2.694 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000611106158 520986435 /nfs/dbraw/zinc/98/64/35/520986435.db2.gz VAHYAJKANWXWJC-ZETCQYMHSA-N -1 1 364.836 2.566 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)nc1 ZINC000593562432 521078331 /nfs/dbraw/zinc/07/83/31/521078331.db2.gz VYOQSRDBBZJWJP-GXSJLCMTSA-N -1 1 367.349 2.637 20 5 FFBDMM CCc1ccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000599206755 521087395 /nfs/dbraw/zinc/08/73/95/521087395.db2.gz JBMUPPPNNRHNEC-HNNXBMFYSA-N -1 1 366.443 2.566 20 5 FFBDMM CC1(C)C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cc(F)ccc2O1 ZINC000593816189 521228611 /nfs/dbraw/zinc/22/86/11/521228611.db2.gz UFNSXBFHQIZTMC-GFCCVEGCSA-N -1 1 361.329 2.867 20 5 FFBDMM CCCOc1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821139405 607329804 /nfs/dbraw/zinc/32/98/04/607329804.db2.gz XVKOQCXRVKWBSE-UHFFFAOYSA-N -1 1 369.385 2.613 20 5 FFBDMM CCCOc1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821139405 607329805 /nfs/dbraw/zinc/32/98/05/607329805.db2.gz XVKOQCXRVKWBSE-UHFFFAOYSA-N -1 1 369.385 2.613 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826498887 607452581 /nfs/dbraw/zinc/45/25/81/607452581.db2.gz NKPJBERMVVFMEI-CYBMUJFWSA-N -1 1 365.397 2.713 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826498887 607452582 /nfs/dbraw/zinc/45/25/82/607452582.db2.gz NKPJBERMVVFMEI-CYBMUJFWSA-N -1 1 365.397 2.713 20 5 FFBDMM CC(C)C[N@H+]1CCO[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826885880 602250011 /nfs/dbraw/zinc/25/00/11/602250011.db2.gz LJUATFALDGCCDT-NSHDSACASA-N -1 1 371.821 2.715 20 5 FFBDMM CC(C)CN1CCO[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826885880 602250012 /nfs/dbraw/zinc/25/00/12/602250012.db2.gz LJUATFALDGCCDT-NSHDSACASA-N -1 1 371.821 2.715 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc2c(s1)CCCC2 ZINC000823625003 606700759 /nfs/dbraw/zinc/70/07/59/606700759.db2.gz NUTBRROREWIFKM-UHFFFAOYSA-N -1 1 357.399 2.722 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc2c(s1)CCCC2 ZINC000823625003 606700760 /nfs/dbraw/zinc/70/07/60/606700760.db2.gz NUTBRROREWIFKM-UHFFFAOYSA-N -1 1 357.399 2.722 20 5 FFBDMM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820643624 606714839 /nfs/dbraw/zinc/71/48/39/606714839.db2.gz XSDVGBVRKCCGPM-GXTWGEPZSA-N -1 1 365.397 2.627 20 5 FFBDMM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820643624 606714840 /nfs/dbraw/zinc/71/48/40/606714840.db2.gz XSDVGBVRKCCGPM-GXTWGEPZSA-N -1 1 365.397 2.627 20 5 FFBDMM CC(C)C(=O)Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820011141 606719354 /nfs/dbraw/zinc/71/93/54/606719354.db2.gz JCESXUIPMFOUSP-UHFFFAOYSA-N -1 1 369.341 2.557 20 5 FFBDMM CC(C)C(=O)Nc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820011141 606719355 /nfs/dbraw/zinc/71/93/55/606719355.db2.gz JCESXUIPMFOUSP-UHFFFAOYSA-N -1 1 369.341 2.557 20 5 FFBDMM CCC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000820841648 607035078 /nfs/dbraw/zinc/03/50/78/607035078.db2.gz BHJHOXGOAFITKV-UHFFFAOYSA-N -1 1 358.289 2.694 20 5 FFBDMM CCC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000820841648 607035080 /nfs/dbraw/zinc/03/50/80/607035080.db2.gz BHJHOXGOAFITKV-UHFFFAOYSA-N -1 1 358.289 2.694 20 5 FFBDMM Nc1c(Cl)cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Cl ZINC000822903086 607163113 /nfs/dbraw/zinc/16/31/13/607163113.db2.gz GNAAFEVAGOXRAL-UHFFFAOYSA-N -1 1 367.156 2.803 20 5 FFBDMM Nc1c(Cl)cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Cl ZINC000822903086 607163115 /nfs/dbraw/zinc/16/31/15/607163115.db2.gz GNAAFEVAGOXRAL-UHFFFAOYSA-N -1 1 367.156 2.803 20 5 FFBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826472869 608121804 /nfs/dbraw/zinc/12/18/04/608121804.db2.gz ZXMBBHNWFRLKGA-UHFFFAOYSA-N -1 1 370.394 2.641 20 5 FFBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826472869 608121805 /nfs/dbraw/zinc/12/18/05/608121805.db2.gz ZXMBBHNWFRLKGA-UHFFFAOYSA-N -1 1 370.394 2.641 20 5 FFBDMM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152402654 728758035 /nfs/dbraw/zinc/75/80/35/728758035.db2.gz XOJOQRZFYRRVLA-UHFFFAOYSA-N -1 1 368.386 2.920 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000111349724 728535990 /nfs/dbraw/zinc/53/59/90/728535990.db2.gz VMPSDGSYICSPOF-LBPRGKRZSA-N -1 1 350.371 2.742 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000125676999 728686134 /nfs/dbraw/zinc/68/61/34/728686134.db2.gz PUDBXFKIXSGDDQ-UHFFFAOYSA-N -1 1 368.390 2.524 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCS1 ZINC000126237389 728696616 /nfs/dbraw/zinc/69/66/16/728696616.db2.gz GMGWRVWOKORAFS-LBPRGKRZSA-N -1 1 350.849 2.812 20 5 FFBDMM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130314110 728716773 /nfs/dbraw/zinc/71/67/73/728716773.db2.gz GHXAWBLETWKFCQ-CQSZACIVSA-N -1 1 361.423 2.929 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000132273648 728724064 /nfs/dbraw/zinc/72/40/64/728724064.db2.gz YTPMIUBSAOWUCX-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000132289977 728724149 /nfs/dbraw/zinc/72/41/49/728724149.db2.gz SHZSDEBYJKZHNA-UHFFFAOYSA-N -1 1 362.342 2.786 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000132799915 728725441 /nfs/dbraw/zinc/72/54/41/728725441.db2.gz FUNCQYLWKWIJGS-MRVPVSSYSA-N -1 1 363.233 2.682 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000132799720 728725444 /nfs/dbraw/zinc/72/54/44/728725444.db2.gz FUNCQYLWKWIJGS-QMMMGPOBSA-N -1 1 363.233 2.682 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)ccc1[N+](=O)[O-] ZINC000178197703 729156771 /nfs/dbraw/zinc/15/67/71/729156771.db2.gz MYNWBSISJNNYSJ-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM CCS[C@@H](C)c1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780067945 738513040 /nfs/dbraw/zinc/51/30/40/738513040.db2.gz ILXMPVQTUZCDOX-QMMMGPOBSA-N -1 1 353.356 2.855 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000903999864 736202099 /nfs/dbraw/zinc/20/20/99/736202099.db2.gz SNYZUXNHBVJPSD-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000758460593 736491407 /nfs/dbraw/zinc/49/14/07/736491407.db2.gz MJYTYYZSSOGNAZ-CQSZACIVSA-N -1 1 351.359 2.559 20 5 FFBDMM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768818492 737462097 /nfs/dbraw/zinc/46/20/97/737462097.db2.gz XVRODAAHSYSKGM-UHFFFAOYSA-N -1 1 356.425 2.922 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1[N+](=O)[O-] ZINC000777591028 738303644 /nfs/dbraw/zinc/30/36/44/738303644.db2.gz KEEXQJORMZDQPW-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000795240438 739988490 /nfs/dbraw/zinc/98/84/90/739988490.db2.gz CRRSHQMCEIBJGP-UHFFFAOYSA-N -1 1 373.175 2.679 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795389642 740015539 /nfs/dbraw/zinc/01/55/39/740015539.db2.gz XKZNQUQRQRVEKV-SNVBAGLBSA-N -1 1 354.359 2.896 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795773703 740062006 /nfs/dbraw/zinc/06/20/06/740062006.db2.gz DBMBZASONDMTDV-LURJTMIESA-N -1 1 367.196 2.573 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000795874545 740074314 /nfs/dbraw/zinc/07/43/14/740074314.db2.gz WZEIWGVVZPEQAS-UHFFFAOYSA-N -1 1 367.196 2.575 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cccnc1 ZINC000798224506 740314069 /nfs/dbraw/zinc/31/40/69/740314069.db2.gz JRRMJVMATIKGBP-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000798410527 740329628 /nfs/dbraw/zinc/32/96/28/740329628.db2.gz ZOLQVXDEAKVGAF-UHFFFAOYSA-N -1 1 370.408 2.864 20 5 FFBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000801704824 740643484 /nfs/dbraw/zinc/64/34/84/740643484.db2.gz VAIPTTPWLCVJNM-ZSBIGDGJSA-N -1 1 360.407 2.606 20 5 FFBDMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393615 741305126 /nfs/dbraw/zinc/30/51/26/741305126.db2.gz RCLCHDJKVOPVKI-QMMMGPOBSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCSC2)c(Cl)cc1Cl ZINC000809821771 741348840 /nfs/dbraw/zinc/34/88/40/741348840.db2.gz ZRUDSMWYGXJDTA-LURJTMIESA-N -1 1 357.240 2.685 20 5 FFBDMM COCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809842469 741353142 /nfs/dbraw/zinc/35/31/42/741353142.db2.gz GPJISUQGBWOBRG-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM CC(C)COCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814980762 741878640 /nfs/dbraw/zinc/87/86/40/741878640.db2.gz RZEUNYSKWBMEIK-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM CC(C)SCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815044686 741890106 /nfs/dbraw/zinc/89/01/06/741890106.db2.gz HRRSJPLUJUVJQA-UHFFFAOYSA-N -1 1 356.828 2.807 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000830760256 745426093 /nfs/dbraw/zinc/42/60/93/745426093.db2.gz SZKMRNYSISROQK-JTQLQIEISA-N -1 1 371.242 2.851 20 5 FFBDMM CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC ZINC000831597788 745552285 /nfs/dbraw/zinc/55/22/85/745552285.db2.gz NWWWWXGKTOXOJL-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000831877386 745598547 /nfs/dbraw/zinc/59/85/47/745598547.db2.gz JAEKJJMJNATVDB-LLVKDONJSA-N -1 1 369.226 2.747 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000831920717 745605874 /nfs/dbraw/zinc/60/58/74/745605874.db2.gz UKCMXZINEQEAPB-ZWNOBZJWSA-N -1 1 366.370 2.925 20 5 FFBDMM COCC[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841553747 747395810 /nfs/dbraw/zinc/39/58/10/747395810.db2.gz HYWPOYZBXLOPQP-MRVPVSSYSA-N -1 1 371.242 2.853 20 5 FFBDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841556725 747397382 /nfs/dbraw/zinc/39/73/82/747397382.db2.gz SVPQISNNZKEWLY-UHFFFAOYSA-N -1 1 355.441 2.827 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000841569543 747406642 /nfs/dbraw/zinc/40/66/42/747406642.db2.gz BBLYMSLJBQTXAU-NSHDSACASA-N -1 1 350.824 2.588 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)cc1[N+](=O)[O-] ZINC000842793265 747689546 /nfs/dbraw/zinc/68/95/46/747689546.db2.gz PZMSLXNSJCVSMW-UHFFFAOYSA-N -1 1 350.400 2.867 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@]1(F)Cl ZINC000845974613 748367756 /nfs/dbraw/zinc/36/77/56/748367756.db2.gz CUYUROSSVDPJFO-NEPJUHHUSA-N -1 1 354.762 2.717 20 5 FFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1 ZINC000849412656 749140704 /nfs/dbraw/zinc/14/07/04/749140704.db2.gz USWNGDNSJUHTGC-SSDOTTSWSA-N -1 1 369.226 2.747 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000047671427 845150313 /nfs/dbraw/zinc/15/03/13/845150313.db2.gz LGOIQUFJOKOJQN-UHFFFAOYSA-N -1 1 350.371 2.744 20 5 FFBDMM CC(C)(C)OCCCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001175734779 1013547368 /nfs/dbraw/zinc/54/73/68/1013547368.db2.gz ZDDYJDICRXRAEZ-UHFFFAOYSA-N -1 1 351.447 2.623 20 5 FFBDMM Cc1ccc(Cn2ccccc2=NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000588596945 968021373 /nfs/dbraw/zinc/02/13/73/968021373.db2.gz CUIWOAYBRHVQPR-UHFFFAOYSA-N -1 1 364.361 2.595 20 5 FFBDMM CNc1c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cccc1[N+](=O)[O-] ZINC000765522915 985162629 /nfs/dbraw/zinc/16/26/29/985162629.db2.gz SJDLLMDOSKZGEB-UHFFFAOYSA-N -1 1 358.350 2.944 20 5 FFBDMM O=C([O-])c1cc(NCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000915213786 988301779 /nfs/dbraw/zinc/30/17/79/988301779.db2.gz NYDLCAITFZHAHG-UHFFFAOYSA-N -1 1 370.409 2.527 20 5 FFBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001594166702 998634492 /nfs/dbraw/zinc/63/44/92/998634492.db2.gz ANRWJZLFECVPHU-PSASIEDQSA-N -1 1 366.761 2.593 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000744947250 999884308 /nfs/dbraw/zinc/88/43/08/999884308.db2.gz RCZFEUFWPLXORR-UHFFFAOYSA-N -1 1 358.350 2.793 20 5 FFBDMM CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768780073 1000346528 /nfs/dbraw/zinc/34/65/28/1000346528.db2.gz UKWBWOYBYYGFHW-MRXNPFEDSA-N -1 1 365.288 2.936 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 ZINC000769046624 1000412791 /nfs/dbraw/zinc/41/27/91/1000412791.db2.gz GQECDGSJPWXDBM-SECBINFHSA-N -1 1 355.306 2.867 20 5 FFBDMM O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769047990 1000413980 /nfs/dbraw/zinc/41/39/80/1000413980.db2.gz LSSYWUQZYJTTGX-UHFFFAOYSA-N -1 1 359.269 2.847 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(-n2cccn2)c(F)c1 ZINC001183570016 1002310561 /nfs/dbraw/zinc/31/05/61/1002310561.db2.gz BEWJOROTOFIFEJ-JTQLQIEISA-N -1 1 371.328 2.511 20 5 FFBDMM CCOC(=O)c1nc([C@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n[n-]1 ZINC001186989812 1003502282 /nfs/dbraw/zinc/50/22/82/1003502282.db2.gz NADIOVZQDNYHDD-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1nnc([C@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])[n-]1 ZINC001186989812 1003502288 /nfs/dbraw/zinc/50/22/88/1003502288.db2.gz NADIOVZQDNYHDD-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1n[n-]c([C@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC001186989812 1003502293 /nfs/dbraw/zinc/50/22/93/1003502293.db2.gz NADIOVZQDNYHDD-VIFPVBQESA-N -1 1 356.342 2.611 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC001190695861 1007751922 /nfs/dbraw/zinc/75/19/22/1007751922.db2.gz HWUJXXAUHHFDRO-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM CC(C)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC001124575137 1024346487 /nfs/dbraw/zinc/34/64/87/1024346487.db2.gz LJGCQFCXAVCKBW-UHFFFAOYSA-N -1 1 364.383 2.983 20 5 FFBDMM COc1ccc(Br)c(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893280 1027202260 /nfs/dbraw/zinc/20/22/60/1027202260.db2.gz VNGMZSWDVBOETM-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM Cc1cc(Br)cnc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893837 1027214835 /nfs/dbraw/zinc/21/48/35/1027214835.db2.gz AXALHUWVWIOGFP-UHFFFAOYSA-N -1 1 351.120 2.501 20 5 FFBDMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153427237 1027874917 /nfs/dbraw/zinc/87/49/17/1027874917.db2.gz YPBWVSLKFNCUCV-UHFFFAOYSA-N -1 1 373.328 2.570 20 5 FFBDMM O=C(Nc1cccc(F)c1[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001161732457 1028298363 /nfs/dbraw/zinc/29/83/63/1028298363.db2.gz NQONQBYIFLVOJD-UHFFFAOYSA-N -1 1 361.329 2.528 20 5 FFBDMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001163671158 1029018353 /nfs/dbraw/zinc/01/83/53/1029018353.db2.gz WBRZBULWEXIAGG-UHFFFAOYSA-N -1 1 358.778 2.570 20 5 FFBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1N1CCCCC1 ZINC000841457884 1030302169 /nfs/dbraw/zinc/30/21/69/1030302169.db2.gz DUBBIMKJRBSNAE-UHFFFAOYSA-N -1 1 372.381 2.952 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001535597948 1069851036 /nfs/dbraw/zinc/85/10/36/1069851036.db2.gz WTCPCYAOACRRQD-ZIAGYGMSSA-N -1 1 354.366 2.711 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C(C)C)C(F)(F)F ZINC001226307055 1034623858 /nfs/dbraw/zinc/62/38/58/1034623858.db2.gz DGXSMTRCEZIZIR-SNVBAGLBSA-N -1 1 352.265 2.838 20 5 FFBDMM Cc1nc(=O)[n-]c(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1Cl ZINC001227111936 1034938604 /nfs/dbraw/zinc/93/86/04/1034938604.db2.gz UAJQHAODLBGPPD-SSDOTTSWSA-N -1 1 353.718 2.921 20 5 FFBDMM COC(=O)C1CC(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227306707 1035501357 /nfs/dbraw/zinc/50/13/57/1035501357.db2.gz MGXJXIDBXSXYNG-UHFFFAOYSA-N -1 1 356.330 2.688 20 5 FFBDMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001228553981 1036174858 /nfs/dbraw/zinc/17/48/58/1036174858.db2.gz GDFVWLMLXRZAGA-ZDUSSCGKSA-N -1 1 373.365 2.651 20 5 FFBDMM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751221 1036872097 /nfs/dbraw/zinc/87/20/97/1036872097.db2.gz SXPWSTGUEFGAKB-HNNXBMFYSA-N -1 1 359.382 2.950 20 5 FFBDMM C[C@H]1OCC[C@H]1COc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234118063 1036923936 /nfs/dbraw/zinc/92/39/36/1036923936.db2.gz CGPGMUDAULPQHN-ZJUUUORDSA-N -1 1 358.346 2.867 20 5 FFBDMM CC1=C[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)CC(=O)O1 ZINC001234749814 1037166189 /nfs/dbraw/zinc/16/61/89/1037166189.db2.gz DKRRFUAEOAKDGY-JTQLQIEISA-N -1 1 370.313 2.661 20 5 FFBDMM O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001234878455 1037220200 /nfs/dbraw/zinc/22/02/00/1037220200.db2.gz VODOGDPKDSLHPL-SECBINFHSA-N -1 1 354.160 2.653 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001231260993 1037516466 /nfs/dbraw/zinc/51/64/66/1037516466.db2.gz XKTAQJQRUYKRNP-UHFFFAOYSA-N -1 1 374.353 2.960 20 5 FFBDMM Cc1cc(N2CCOCC2)cc2[nH]c(-c3cc([N+](=O)[O-])ccc3[O-])nc21 ZINC001251045901 1038910997 /nfs/dbraw/zinc/91/09/97/1038910997.db2.gz PNBGXEYMOYQRBY-UHFFFAOYSA-N -1 1 354.366 2.989 20 5 FFBDMM Cc1cc(N2CCOCC2)cc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC001251045901 1038911015 /nfs/dbraw/zinc/91/10/15/1038911015.db2.gz PNBGXEYMOYQRBY-UHFFFAOYSA-N -1 1 354.366 2.989 20 5 FFBDMM O=C1COc2cc3[nH]c(-c4cc(Cl)cc([N+](=O)[O-])c4[O-])nc3cc2N1 ZINC001251550863 1039176389 /nfs/dbraw/zinc/17/63/89/1039176389.db2.gz DOUTYEAWPDVCJE-UHFFFAOYSA-N -1 1 360.713 2.828 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)cc1F ZINC001211382537 1040129138 /nfs/dbraw/zinc/12/91/38/1040129138.db2.gz DJLKCTDNNRWDKB-MRXNPFEDSA-N -1 1 365.386 2.867 20 5 FFBDMM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc(C)n1 ZINC001309601090 1043449940 /nfs/dbraw/zinc/44/99/40/1043449940.db2.gz UPVRCYQTRITOCX-UHFFFAOYSA-N -1 1 373.793 2.878 20 5 FFBDMM CSc1ncc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)[n-]1 ZINC001295351449 1049918245 /nfs/dbraw/zinc/91/82/45/1049918245.db2.gz UASRKAQVKOYGJY-UHFFFAOYSA-N -1 1 360.395 2.617 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC001475719405 1061232066 /nfs/dbraw/zinc/23/20/66/1061232066.db2.gz HIYRETYNPMQOEF-NSHDSACASA-N -1 1 374.434 2.914 20 5 FFBDMM C[C@H](Cc1cccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001475775416 1061266281 /nfs/dbraw/zinc/26/62/81/1061266281.db2.gz PGVHWFJDAVGZCA-SNVBAGLBSA-N -1 1 355.803 2.553 20 5 FFBDMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])OC1 ZINC001464381728 1062580797 /nfs/dbraw/zinc/58/07/97/1062580797.db2.gz UOSCEYIVJIUYHO-JTQLQIEISA-N -1 1 362.835 2.732 20 5 FFBDMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001464527268 1062663356 /nfs/dbraw/zinc/66/33/56/1062663356.db2.gz DEDJVICAUOPCBI-IMSYWVGJSA-N -1 1 362.810 2.958 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[n-]c1Cl ZINC001439495804 1063165452 /nfs/dbraw/zinc/16/54/52/1063165452.db2.gz HCOUBEPLXXCDMY-VMPITWQZSA-N -1 1 364.745 2.800 20 5 FFBDMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335530 1078465500 /nfs/dbraw/zinc/46/55/00/1078465500.db2.gz RWNYUGBIOFYBIK-GHMZBOCLSA-N -1 1 350.404 2.596 20 5 FFBDMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335530 1078465504 /nfs/dbraw/zinc/46/55/04/1078465504.db2.gz RWNYUGBIOFYBIK-GHMZBOCLSA-N -1 1 350.404 2.596 20 5 FFBDMM CCc1nc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)cc(-c2nnn[n-]2)n1 ZINC001578673836 1078515226 /nfs/dbraw/zinc/51/52/26/1078515226.db2.gz OHFDUBZSBIYCIC-GFCCVEGCSA-N -1 1 354.374 2.691 20 5 FFBDMM CCc1nc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)cc(-c2nn[n-]n2)n1 ZINC001578673836 1078515231 /nfs/dbraw/zinc/51/52/31/1078515231.db2.gz OHFDUBZSBIYCIC-GFCCVEGCSA-N -1 1 354.374 2.691 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCc1ccccc1-c1ncc[nH]1 ZINC001582804836 1079109477 /nfs/dbraw/zinc/10/94/77/1079109477.db2.gz OAWSOLBWJJTCDZ-UHFFFAOYSA-N -1 1 368.382 2.839 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccccc1-c1ncc[nH]1 ZINC001582804836 1079109480 /nfs/dbraw/zinc/10/94/80/1079109480.db2.gz OAWSOLBWJJTCDZ-UHFFFAOYSA-N -1 1 368.382 2.839 20 5 FFBDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001561889018 1076439403 /nfs/dbraw/zinc/43/94/03/1076439403.db2.gz WDOAUJXNGRIORX-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)(C(=O)[O-])CC1 ZINC001573643007 1077761677 /nfs/dbraw/zinc/76/16/77/1077761677.db2.gz MIJDEBAXRDKDDR-NSHDSACASA-N -1 1 360.370 2.893 20 5 FFBDMM CC(C)(C)c1nnc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])s1 ZINC001573885999 1077834226 /nfs/dbraw/zinc/83/42/26/1077834226.db2.gz ZYVUUMCIEGAKAS-UHFFFAOYSA-N -1 1 366.432 2.598 20 5 FFBDMM CC(C)(C)c1nnc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])s1 ZINC001573885999 1077834229 /nfs/dbraw/zinc/83/42/29/1077834229.db2.gz ZYVUUMCIEGAKAS-UHFFFAOYSA-N -1 1 366.432 2.598 20 5 FFBDMM COCc1nccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC001586314117 1079597428 /nfs/dbraw/zinc/59/74/28/1079597428.db2.gz OKVROQMZNLIQLA-UHFFFAOYSA-N -1 1 373.188 2.608 20 5 FFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnc(C2CC2)[n-]c1=O ZINC001587259933 1079762580 /nfs/dbraw/zinc/76/25/80/1079762580.db2.gz LNYZBESBGNTAJE-UHFFFAOYSA-N -1 1 356.382 2.721 20 5 FFBDMM CC(C)(O)c1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001589338710 1080489068 /nfs/dbraw/zinc/48/90/68/1080489068.db2.gz KLOFRBUTHXOGGB-UHFFFAOYSA-N -1 1 354.370 2.614 20 5 FFBDMM CC(C)C1(c2ccccc2)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001589500006 1080568378 /nfs/dbraw/zinc/56/83/78/1080568378.db2.gz VMSHHIPXTJQVJQ-UHFFFAOYSA-N -1 1 365.397 2.584 20 5 FFBDMM CC(C)C1(c2ccccc2)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001589500006 1080568384 /nfs/dbraw/zinc/56/83/84/1080568384.db2.gz VMSHHIPXTJQVJQ-UHFFFAOYSA-N -1 1 365.397 2.584 20 5 FFBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589729540 1080691152 /nfs/dbraw/zinc/69/11/52/1080691152.db2.gz JVVBNCUYNMUVKH-UHFFFAOYSA-N -1 1 354.374 2.602 20 5 FFBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589729540 1080691159 /nfs/dbraw/zinc/69/11/59/1080691159.db2.gz JVVBNCUYNMUVKH-UHFFFAOYSA-N -1 1 354.374 2.602 20 5 FFBDMM CC(C)OC1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001589739860 1080696534 /nfs/dbraw/zinc/69/65/34/1080696534.db2.gz REZGWTRFLVNULE-UHFFFAOYSA-N -1 1 361.406 2.505 20 5 FFBDMM CC(C)OC1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001589739860 1080696548 /nfs/dbraw/zinc/69/65/48/1080696548.db2.gz REZGWTRFLVNULE-UHFFFAOYSA-N -1 1 361.406 2.505 20 5 FFBDMM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589800990 1080755325 /nfs/dbraw/zinc/75/53/25/1080755325.db2.gz FSEGBPIGMVPVDV-TVQRCGJNSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001589980476 1080918679 /nfs/dbraw/zinc/91/86/79/1080918679.db2.gz AXDADKAZFKWYQQ-VIFPVBQESA-N -1 1 354.326 2.677 20 5 FFBDMM C[C@]1(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134066 1081039735 /nfs/dbraw/zinc/03/97/35/1081039735.db2.gz MJJIAPMFFQCPTC-AWEZNQCLSA-N -1 1 364.431 2.988 20 5 FFBDMM C[C@]1(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134066 1081039739 /nfs/dbraw/zinc/03/97/39/1081039739.db2.gz MJJIAPMFFQCPTC-AWEZNQCLSA-N -1 1 364.431 2.988 20 5 FFBDMM CC1=C(Br)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590154869 1081056584 /nfs/dbraw/zinc/05/65/84/1081056584.db2.gz BZQQZRBQTYTGNP-UHFFFAOYSA-N -1 1 365.191 2.654 20 5 FFBDMM CC1=C(Br)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590154869 1081056591 /nfs/dbraw/zinc/05/65/91/1081056591.db2.gz BZQQZRBQTYTGNP-UHFFFAOYSA-N -1 1 365.191 2.654 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117426370 250345396 /nfs/dbraw/zinc/34/53/96/250345396.db2.gz BQIBFZSKUNTQJM-UHFFFAOYSA-N -1 1 373.209 2.652 20 5 FFBDMM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000272431319 252036896 /nfs/dbraw/zinc/03/68/96/252036896.db2.gz JOBYODSGRQIEFD-UHFFFAOYSA-N -1 1 360.342 2.548 20 5 FFBDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000273547255 252327360 /nfs/dbraw/zinc/32/73/60/252327360.db2.gz LYGKWSBNCYIZMU-QWRGUYRKSA-N -1 1 362.835 2.732 20 5 FFBDMM Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C1)CCCC2 ZINC000275748778 256044517 /nfs/dbraw/zinc/04/45/17/256044517.db2.gz UMCBVVAVGAAGNE-AWEZNQCLSA-N -1 1 370.409 2.771 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1C ZINC000291009594 257373168 /nfs/dbraw/zinc/37/31/68/257373168.db2.gz WFCKGQLYFNLDKS-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCn2c(cc3ccccc32)C1 ZINC000377138093 512138693 /nfs/dbraw/zinc/13/86/93/512138693.db2.gz IBVLACDQFBZSQE-UHFFFAOYSA-N -1 1 352.350 2.696 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000011443215 506777045 /nfs/dbraw/zinc/77/70/45/506777045.db2.gz UHGCFVQPFYRRHM-SNVBAGLBSA-N -1 1 362.411 2.750 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000031555880 507820108 /nfs/dbraw/zinc/82/01/08/507820108.db2.gz XODREHMDLSZKOS-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(C(C)(C)C)cs1 ZINC000106920600 507829179 /nfs/dbraw/zinc/82/91/79/507829179.db2.gz GLUXBQLYVVUQSR-MRVPVSSYSA-N -1 1 350.400 2.940 20 5 FFBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000080804168 508105400 /nfs/dbraw/zinc/10/54/00/508105400.db2.gz NLDMVFJTTWPWFF-LBPRGKRZSA-N -1 1 362.473 2.920 20 5 FFBDMM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666636 508114561 /nfs/dbraw/zinc/11/45/61/508114561.db2.gz YUJHJUPVRLMONQ-VIFPVBQESA-N -1 1 363.757 2.711 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)ccc1C ZINC000093930726 508161635 /nfs/dbraw/zinc/16/16/35/508161635.db2.gz ALBWDNCDWICPLH-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000134647333 508554728 /nfs/dbraw/zinc/55/47/28/508554728.db2.gz DJRDFBWYUXRJTO-LLVKDONJSA-N -1 1 358.391 2.504 20 5 FFBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000129032919 508673937 /nfs/dbraw/zinc/67/39/37/508673937.db2.gz DITZIGPQALIEQT-SNVBAGLBSA-N -1 1 350.824 2.732 20 5 FFBDMM Cc1ccccc1OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146937450 508854453 /nfs/dbraw/zinc/85/44/53/508854453.db2.gz ITXMYAKWOXVGBS-UHFFFAOYSA-N -1 1 370.814 2.914 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000191796669 509183941 /nfs/dbraw/zinc/18/39/41/509183941.db2.gz QRVLFEUTKLQZRB-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000173351592 509546746 /nfs/dbraw/zinc/54/67/46/509546746.db2.gz FPHPETFSXOLPAX-CQSZACIVSA-N -1 1 368.411 2.725 20 5 FFBDMM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2N1 ZINC000192669235 509591416 /nfs/dbraw/zinc/59/14/16/509591416.db2.gz HSIJTSDKLMRKBH-UHFFFAOYSA-N -1 1 361.379 2.670 20 5 FFBDMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000186473453 509727419 /nfs/dbraw/zinc/72/74/19/509727419.db2.gz HMHZFSZBISEFNY-QMMMGPOBSA-N -1 1 359.404 2.581 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000186678147 509845693 /nfs/dbraw/zinc/84/56/93/509845693.db2.gz YQGOKXBTECBRMG-QMMMGPOBSA-N -1 1 361.832 2.787 20 5 FFBDMM O=C(NCc1ccc(F)cc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193452259 509921277 /nfs/dbraw/zinc/92/12/77/509921277.db2.gz YNXZJBMTNDERLP-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM COc1ccc(Cl)cc1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186894441 509934493 /nfs/dbraw/zinc/93/44/93/509934493.db2.gz UXOZNJUIHVIGSG-UHFFFAOYSA-N -1 1 351.746 2.630 20 5 FFBDMM COc1ccccc1C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000193669135 510013244 /nfs/dbraw/zinc/01/32/44/510013244.db2.gz BHTJHBSOVSWRQF-CQSZACIVSA-N -1 1 359.382 2.701 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000187146069 510085930 /nfs/dbraw/zinc/08/59/30/510085930.db2.gz NRZPONCRCVBMNT-GFCCVEGCSA-N -1 1 359.407 2.950 20 5 FFBDMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187154477 510091229 /nfs/dbraw/zinc/09/12/29/510091229.db2.gz PMVRSQUKLDAMKK-WMLDXEAASA-N -1 1 371.393 2.902 20 5 FFBDMM Cc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000194224479 510269332 /nfs/dbraw/zinc/26/93/32/510269332.db2.gz LKZXQZRZBKEZLD-UHFFFAOYSA-N -1 1 366.399 2.721 20 5 FFBDMM Cc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000181088868 510271511 /nfs/dbraw/zinc/27/15/11/510271511.db2.gz NZVCEUIJLYZHJY-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2cccc(Br)c2C1 ZINC000184508387 510362206 /nfs/dbraw/zinc/36/22/06/510362206.db2.gz OLRDIGGGAXRRGL-UHFFFAOYSA-N -1 1 364.155 2.614 20 5 FFBDMM Cc1ccc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000175191252 510524005 /nfs/dbraw/zinc/52/40/05/510524005.db2.gz SHXCGFYZCDTQKC-LLVKDONJSA-N -1 1 352.350 2.631 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000175208463 510532113 /nfs/dbraw/zinc/53/21/13/510532113.db2.gz NRTZHCBIOOXHPH-CQSZACIVSA-N -1 1 368.411 2.779 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000175208478 510532277 /nfs/dbraw/zinc/53/22/77/510532277.db2.gz NRTZHCBIOOXHPH-AWEZNQCLSA-N -1 1 368.411 2.779 20 5 FFBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000175296239 510575753 /nfs/dbraw/zinc/57/57/53/510575753.db2.gz MGGMSONUXOWEGU-UHFFFAOYSA-N -1 1 374.296 2.668 20 5 FFBDMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175702010 510743320 /nfs/dbraw/zinc/74/33/20/510743320.db2.gz RPJDUYRHXYYXOY-VHSXEESVSA-N -1 1 350.487 2.999 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(C(F)(F)F)cs1 ZINC000279293569 511034180 /nfs/dbraw/zinc/03/41/80/511034180.db2.gz PQJJEPDRFWBIOB-YFKPBYRVSA-N -1 1 362.289 2.662 20 5 FFBDMM CO[C@@H](C)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295800227 511518993 /nfs/dbraw/zinc/51/89/93/511518993.db2.gz VWXLKSYAIBZVDO-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000326534420 511860343 /nfs/dbraw/zinc/86/03/43/511860343.db2.gz IPUWUUUEPMDPQD-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440670220 513378266 /nfs/dbraw/zinc/37/82/66/513378266.db2.gz XVAPZETYSQHZOW-YOEHRIQHSA-N -1 1 371.393 2.902 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ccc(=O)n(C)c2c1 ZINC000447266870 513431392 /nfs/dbraw/zinc/43/13/92/513431392.db2.gz YJLLOFCOSHUJJY-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434973600 513480284 /nfs/dbraw/zinc/48/02/84/513480284.db2.gz UPAGMZADWOFOSM-UHFFFAOYSA-N -1 1 362.342 2.925 20 5 FFBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(N3CCC3=O)c2)s1 ZINC000447806588 513576851 /nfs/dbraw/zinc/57/68/51/513576851.db2.gz NLCLDQGRZHAUKW-UHFFFAOYSA-N -1 1 367.408 2.540 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccon1 ZINC000416455697 513780264 /nfs/dbraw/zinc/78/02/64/513780264.db2.gz UWLVLKNWAJYEBZ-SSDOTTSWSA-N -1 1 365.289 2.641 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C)cc1[N+](=O)[O-] ZINC000414375216 514074635 /nfs/dbraw/zinc/07/46/35/514074635.db2.gz WZMAFQSLKXFZLU-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(F)F ZINC000414450181 514125616 /nfs/dbraw/zinc/12/56/16/514125616.db2.gz FFUOUGAANXTARY-ZCFIWIBFSA-N -1 1 362.276 2.936 20 5 FFBDMM CCc1[nH]nc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)c1[N+](=O)[O-] ZINC000444151080 514136691 /nfs/dbraw/zinc/13/66/91/514136691.db2.gz FKKPZXJGVCHHRJ-UHFFFAOYSA-N -1 1 364.383 2.626 20 5 FFBDMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452071633 514175487 /nfs/dbraw/zinc/17/54/87/514175487.db2.gz VBQMTEOJRKPAGE-DGCLKSJQSA-N -1 1 362.835 2.874 20 5 FFBDMM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000452088730 514184122 /nfs/dbraw/zinc/18/41/22/514184122.db2.gz ORRSBQQCNZICFD-SECBINFHSA-N -1 1 374.415 2.714 20 5 FFBDMM CC[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000420619720 514203150 /nfs/dbraw/zinc/20/31/50/514203150.db2.gz AOBLFMJMQLTPRE-ZDUSSCGKSA-N -1 1 365.411 2.578 20 5 FFBDMM CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471117161 514758550 /nfs/dbraw/zinc/75/85/50/514758550.db2.gz SABRHQKHPHDLKY-UHFFFAOYSA-N -1 1 350.352 2.656 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000471144674 514769488 /nfs/dbraw/zinc/76/94/88/514769488.db2.gz XLETUVCYTXJNTP-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000490515732 515235483 /nfs/dbraw/zinc/23/54/83/515235483.db2.gz ZATVVUUKLNLZHN-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)c(F)cc2F)n1 ZINC000468220016 515269536 /nfs/dbraw/zinc/26/95/36/515269536.db2.gz FXKVVATYAHQVMY-UHFFFAOYSA-N -1 1 361.102 2.621 20 5 FFBDMM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000476979537 515275011 /nfs/dbraw/zinc/27/50/11/515275011.db2.gz LLUYYZKMIDQBFZ-AWEZNQCLSA-N -1 1 366.370 2.763 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2noc(=NCCN3CCc4ccccc4C3)[n-]2)cc1 ZINC000486137741 515349072 /nfs/dbraw/zinc/34/90/72/515349072.db2.gz NXZYTRKUKKSNEL-UHFFFAOYSA-N -1 1 365.393 2.537 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486579615 515548827 /nfs/dbraw/zinc/54/88/27/515548827.db2.gz YSODCSMCCOHKAQ-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473912808 515799674 /nfs/dbraw/zinc/79/96/74/515799674.db2.gz RSCBYPHINLUSTQ-HNNXBMFYSA-N -1 1 373.450 2.523 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC000506199716 515814002 /nfs/dbraw/zinc/81/40/02/515814002.db2.gz RUVSBWVNOYWKLJ-NSHDSACASA-N -1 1 370.814 2.994 20 5 FFBDMM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000506223344 515821002 /nfs/dbraw/zinc/82/10/02/515821002.db2.gz KGNTYJYEOOKYJO-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000488244209 516173402 /nfs/dbraw/zinc/17/34/02/516173402.db2.gz CEFMXMWROQTICJ-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000497358606 516313168 /nfs/dbraw/zinc/31/31/68/516313168.db2.gz UGECVNVLVCFFKP-JTQLQIEISA-N -1 1 356.425 2.574 20 5 FFBDMM C[C@H]1CN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C[C@H](C)O1 ZINC000523128955 516393967 /nfs/dbraw/zinc/39/39/67/516393967.db2.gz AMEVIWHJLJGGMZ-STQMWFEESA-N -1 1 358.398 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000551147423 516579518 /nfs/dbraw/zinc/57/95/18/516579518.db2.gz BHWRZXXIYBDELQ-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CO2 ZINC000532167770 516837790 /nfs/dbraw/zinc/83/77/90/516837790.db2.gz VRRJMSPVQZNHJO-AWEZNQCLSA-N -1 1 362.407 2.932 20 5 FFBDMM CSc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000519185616 516916478 /nfs/dbraw/zinc/91/64/78/516916478.db2.gz PWPPAMIEMMAXHQ-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525212497 516965067 /nfs/dbraw/zinc/96/50/67/516965067.db2.gz REWWNLXFGZYKQO-CQSZACIVSA-N -1 1 367.402 2.675 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3cc[nH]c32)c1 ZINC000548478244 517008554 /nfs/dbraw/zinc/00/85/54/517008554.db2.gz JYJTWUXXOGTFGT-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000526049791 517314389 /nfs/dbraw/zinc/31/43/89/517314389.db2.gz CRVABFBCBFNCIR-HNNXBMFYSA-N -1 1 363.439 2.783 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](CC(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533270102 517376612 /nfs/dbraw/zinc/37/66/12/517376612.db2.gz COCXWJNKXMPPCK-CQSZACIVSA-N -1 1 366.443 2.877 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000546794046 517861682 /nfs/dbraw/zinc/86/16/82/517861682.db2.gz MKCIRDUNJCROGD-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM CN(CCN1CCN(c2ccccc2)CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000560559728 517895318 /nfs/dbraw/zinc/89/53/18/517895318.db2.gz XDNCWSCWLLILJU-UHFFFAOYSA-N -1 1 370.453 2.554 20 5 FFBDMM Nc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc(F)cc1[N+](=O)[O-] ZINC000521919811 517899666 /nfs/dbraw/zinc/89/96/66/517899666.db2.gz KSLWDLPBCXODNO-UHFFFAOYSA-N -1 1 357.301 2.664 20 5 FFBDMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000539385532 518020146 /nfs/dbraw/zinc/02/01/46/518020146.db2.gz SWKKSPFEXQYJBV-AQUOVQTQSA-N -1 1 362.835 2.586 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000584497520 518367165 /nfs/dbraw/zinc/36/71/65/518367165.db2.gz ATWGJQIWOFMGBN-QMMMGPOBSA-N -1 1 359.816 2.671 20 5 FFBDMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000582382641 518727565 /nfs/dbraw/zinc/72/75/65/518727565.db2.gz ORYXYKJFQLPQSP-BJOHPYRUSA-N -1 1 352.343 2.534 20 5 FFBDMM CCOC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000582559775 518811970 /nfs/dbraw/zinc/81/19/70/518811970.db2.gz ZJFAWEZUDIIXGY-UHFFFAOYSA-N -1 1 362.835 2.876 20 5 FFBDMM Cc1cc(N[C@H]2CCCC[C@@H]2N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577733790 519228034 /nfs/dbraw/zinc/22/80/34/519228034.db2.gz CXHIHBSCUVLKDH-HOTGVXAUSA-N -1 1 363.414 2.657 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000580608478 519261355 /nfs/dbraw/zinc/26/13/55/519261355.db2.gz PAHHRQHDPMDNFK-UHFFFAOYSA-N -1 1 364.305 2.700 20 5 FFBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000583873254 519479035 /nfs/dbraw/zinc/47/90/35/519479035.db2.gz HIHPOVXUHSQNOK-UHFFFAOYSA-N -1 1 350.762 2.697 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC000594706750 520103761 /nfs/dbraw/zinc/10/37/61/520103761.db2.gz WFLAOWRKOWORPH-INIZCTEOSA-N -1 1 372.443 2.940 20 5 FFBDMM O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603673050 520340670 /nfs/dbraw/zinc/34/06/70/520340670.db2.gz PIVUCIYEORXYNG-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC000609658166 520396211 /nfs/dbraw/zinc/39/62/11/520396211.db2.gz SHIXBMGZWLKDBA-UHFFFAOYSA-N -1 1 364.379 2.965 20 5 FFBDMM O=C(NCc1ccccc1OC1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604102981 520450413 /nfs/dbraw/zinc/45/04/13/520450413.db2.gz DLJGHZBZZJSELT-UHFFFAOYSA-N -1 1 357.366 2.947 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000592976171 520666331 /nfs/dbraw/zinc/66/63/31/520666331.db2.gz YTXMGVCXLUGWEM-AWEZNQCLSA-N -1 1 370.409 2.707 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000598622800 520747382 /nfs/dbraw/zinc/74/73/82/520747382.db2.gz SCPGRHDYQQZSRQ-ZETCQYMHSA-N -1 1 374.287 2.937 20 5 FFBDMM COc1cccc([C@@H](C)[NH+]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596106402 520915845 /nfs/dbraw/zinc/91/58/45/520915845.db2.gz AQNLNOZZYALSKU-CYBMUJFWSA-N -1 1 358.398 2.587 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)C)c([N+](=O)[O-])n1 ZINC000599465395 521240293 /nfs/dbraw/zinc/24/02/93/521240293.db2.gz HHWKPOLPZZEKQO-HNNXBMFYSA-N -1 1 366.443 2.795 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000619507518 521602407 /nfs/dbraw/zinc/60/24/07/521602407.db2.gz GOKMDLXOVBWLFV-LLVKDONJSA-N -1 1 370.349 2.859 20 5 FFBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868254 521910738 /nfs/dbraw/zinc/91/07/38/521910738.db2.gz FXADVLFLPVXMMD-VIFPVBQESA-N -1 1 374.378 2.918 20 5 FFBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000738232047 599186535 /nfs/dbraw/zinc/18/65/35/599186535.db2.gz OCNKBJXUZPMFOX-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C([O-])c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000833313258 601641308 /nfs/dbraw/zinc/64/13/08/601641308.db2.gz QSMIFIADHWUYAH-GFCCVEGCSA-N -1 1 360.345 2.514 20 5 FFBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825637828 604104114 /nfs/dbraw/zinc/10/41/14/604104114.db2.gz HUAJHJXHTVOHDK-CYBMUJFWSA-N -1 1 351.403 2.795 20 5 FFBDMM O=[N+]([O-])c1cc(NCc2ccc(-n3cccn3)cc2)ccc1-c1nn[n-]n1 ZINC000823634927 606645270 /nfs/dbraw/zinc/64/52/70/606645270.db2.gz OMNMRSKTSCHZDU-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](Cc2ccccc2)C1 ZINC000823620469 606709291 /nfs/dbraw/zinc/70/92/91/606709291.db2.gz LHMCSQVDPBNTGU-AWEZNQCLSA-N -1 1 365.397 2.629 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](Cc2ccccc2)C1 ZINC000823620469 606709292 /nfs/dbraw/zinc/70/92/92/606709292.db2.gz LHMCSQVDPBNTGU-AWEZNQCLSA-N -1 1 365.397 2.629 20 5 FFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000820280309 606714808 /nfs/dbraw/zinc/71/48/08/606714808.db2.gz DFJARWSWEFYFAC-SECBINFHSA-N -1 1 366.341 2.527 20 5 FFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000820280309 606714809 /nfs/dbraw/zinc/71/48/09/606714809.db2.gz DFJARWSWEFYFAC-SECBINFHSA-N -1 1 366.341 2.527 20 5 FFBDMM CCO[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357849 606715553 /nfs/dbraw/zinc/71/55/53/606715553.db2.gz GAIAJDSKLAUVKE-NWDGAFQWSA-N -1 1 361.406 2.566 20 5 FFBDMM CCO[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357849 606715554 /nfs/dbraw/zinc/71/55/54/606715554.db2.gz GAIAJDSKLAUVKE-NWDGAFQWSA-N -1 1 361.406 2.566 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823635066 607165450 /nfs/dbraw/zinc/16/54/50/607165450.db2.gz QRAGDOGVZJSHHF-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823635066 607165451 /nfs/dbraw/zinc/16/54/51/607165451.db2.gz QRAGDOGVZJSHHF-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111358094 728536086 /nfs/dbraw/zinc/53/60/86/728536086.db2.gz SVVSSMXMMWFQLV-STQMWFEESA-N -1 1 350.371 2.816 20 5 FFBDMM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194351094 729508117 /nfs/dbraw/zinc/50/81/17/729508117.db2.gz NNXJGWKIGJTLJU-LBPRGKRZSA-N -1 1 352.387 2.952 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000323738563 729755518 /nfs/dbraw/zinc/75/55/18/729755518.db2.gz PTDRGIHHCBBANF-SNVBAGLBSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856749541 730354323 /nfs/dbraw/zinc/35/43/23/730354323.db2.gz HZLBCOWSAKJQGM-ZETCQYMHSA-N -1 1 357.190 2.596 20 5 FFBDMM CN(C)c1cc(F)c(C(=O)[N-]c2nc(C3(C)CC3)ns2)cc1[N+](=O)[O-] ZINC000862610412 730711884 /nfs/dbraw/zinc/71/18/84/730711884.db2.gz NMPPGLQWQRBPTR-UHFFFAOYSA-N -1 1 365.390 2.955 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)cc1F ZINC000867052930 731137103 /nfs/dbraw/zinc/13/71/03/731137103.db2.gz VJOLSOJYRLPTEQ-SMDDNHRTSA-N -1 1 360.407 2.524 20 5 FFBDMM CNc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000783904834 738847392 /nfs/dbraw/zinc/84/73/92/738847392.db2.gz CLZPJEBSSWSMCH-UHFFFAOYSA-N -1 1 367.159 2.752 20 5 FFBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000783910472 738848131 /nfs/dbraw/zinc/84/81/31/738848131.db2.gz HIQOFJTVGICACC-UHFFFAOYSA-N -1 1 356.107 2.849 20 5 FFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756993839 736382009 /nfs/dbraw/zinc/38/20/09/736382009.db2.gz YZKKIZJCXPMKAM-UHFFFAOYSA-N -1 1 368.802 2.704 20 5 FFBDMM CCC(CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757725302 736422526 /nfs/dbraw/zinc/42/25/26/736422526.db2.gz VJPZINOXHKKICQ-UHFFFAOYSA-N -1 1 369.212 2.963 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000758452772 736490429 /nfs/dbraw/zinc/49/04/29/736490429.db2.gz UCKWISQWKWXYLL-CYBMUJFWSA-N -1 1 360.407 2.608 20 5 FFBDMM COC1CCC(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000758604739 736505166 /nfs/dbraw/zinc/50/51/66/736505166.db2.gz ALARTVGZAFNEMF-UHFFFAOYSA-N -1 1 360.407 2.608 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]nc1C1CC1 ZINC000760319171 736629051 /nfs/dbraw/zinc/62/90/51/736629051.db2.gz GIVFQGKKLJYBGK-UHFFFAOYSA-N -1 1 356.791 2.958 20 5 FFBDMM Cc1ccc(OCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000918190785 737797698 /nfs/dbraw/zinc/79/76/98/737797698.db2.gz DCFSNZJVLFFEOH-UHFFFAOYSA-N -1 1 368.386 2.708 20 5 FFBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801704551 740643335 /nfs/dbraw/zinc/64/33/35/740643335.db2.gz PQIHAVFTSMKAQF-UHFFFAOYSA-N -1 1 357.395 2.614 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000805140609 740944909 /nfs/dbraw/zinc/94/49/09/740944909.db2.gz VYNUVZFXYZGWCC-VIFPVBQESA-N -1 1 350.849 2.670 20 5 FFBDMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809821408 741348576 /nfs/dbraw/zinc/34/85/76/741348576.db2.gz RWQSMWMAANRCQI-JGVFFNPUSA-N -1 1 368.839 2.950 20 5 FFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822106 741348715 /nfs/dbraw/zinc/34/87/15/741348715.db2.gz WQNSZDWNCLXEOF-MRVPVSSYSA-N -1 1 368.814 2.869 20 5 FFBDMM CC(C)SCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809845156 741353443 /nfs/dbraw/zinc/35/34/43/741353443.db2.gz FGHFQRUCCOPCPP-UHFFFAOYSA-N -1 1 356.828 2.807 20 5 FFBDMM NC(=O)c1ccnc([N-]c2cnn(-c3ccccc3Cl)c2)c1[N+](=O)[O-] ZINC000811803314 741560705 /nfs/dbraw/zinc/56/07/05/741560705.db2.gz QLCQOLVFVNXZAU-UHFFFAOYSA-N -1 1 358.745 2.671 20 5 FFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000814988098 741879538 /nfs/dbraw/zinc/87/95/38/741879538.db2.gz RABWMBUMJIHPJG-UHFFFAOYSA-N -1 1 362.766 2.810 20 5 FFBDMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021046 741883929 /nfs/dbraw/zinc/88/39/29/741883929.db2.gz KIVMFFGWLFCYFJ-JGVFFNPUSA-N -1 1 368.839 2.950 20 5 FFBDMM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815036031 741888296 /nfs/dbraw/zinc/88/82/96/741888296.db2.gz NJTXTNCULJRPKZ-LLVKDONJSA-N -1 1 368.814 2.727 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1c(F)cc(F)cc1F ZINC000815077152 741896541 /nfs/dbraw/zinc/89/65/41/741896541.db2.gz ACAJLDYMTRCEIZ-UHFFFAOYSA-N -1 1 364.276 2.630 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c1Cl ZINC000831304945 745512367 /nfs/dbraw/zinc/51/23/67/745512367.db2.gz WVHJKEMYESSKEJ-IIDWOEFGSA-N -1 1 351.211 2.978 20 5 FFBDMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831877421 745598706 /nfs/dbraw/zinc/59/87/06/745598706.db2.gz JSQAYDWFFJBUPU-SECBINFHSA-N -1 1 369.226 2.747 20 5 FFBDMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000841535926 747388841 /nfs/dbraw/zinc/38/88/41/747388841.db2.gz XAEUZXLMFOXRKX-SFYZADRCSA-N -1 1 369.226 2.747 20 5 FFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1 ZINC000849412479 749140709 /nfs/dbraw/zinc/14/07/09/749140709.db2.gz OXZLAJPAMKESNK-ZETCQYMHSA-N -1 1 369.226 2.747 20 5 FFBDMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1 ZINC000061031960 845438789 /nfs/dbraw/zinc/43/87/89/845438789.db2.gz BDZRWAUSJRXBQB-UHFFFAOYSA-N -1 1 367.770 2.544 20 5 FFBDMM CN1CCN(c2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC001176677558 1013750516 /nfs/dbraw/zinc/75/05/16/1013750516.db2.gz YRZBGEALYPMJHA-UHFFFAOYSA-N -1 1 356.382 2.788 20 5 FFBDMM COc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263303118 980656260 /nfs/dbraw/zinc/65/62/60/980656260.db2.gz GVTUHFPBKDQNHO-GXSJLCMTSA-N -1 1 374.340 2.747 20 5 FFBDMM CC[C@@H](c1ccccc1)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595364712 980796890 /nfs/dbraw/zinc/79/68/90/980796890.db2.gz WLLIIOIHNHDKMM-INIZCTEOSA-N -1 1 370.409 2.961 20 5 FFBDMM COC[C@@H](C)OC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877727 987978512 /nfs/dbraw/zinc/97/85/12/987978512.db2.gz QNPLTHIBVBWGHN-BDAKNGLRSA-N -1 1 364.192 2.882 20 5 FFBDMM CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001599819778 988492237 /nfs/dbraw/zinc/49/22/37/988492237.db2.gz HOVYORXSALPRBJ-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM COc1cc(OC)cc([C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599451775 998114702 /nfs/dbraw/zinc/11/47/02/998114702.db2.gz ANLKGFZAFLHGJF-QGZVFWFLSA-N -1 1 360.366 2.836 20 5 FFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001594209323 998809749 /nfs/dbraw/zinc/80/97/49/998809749.db2.gz CKUFMVACWPTMFX-GHMZBOCLSA-N -1 1 360.370 2.718 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1 ZINC000744867721 999880402 /nfs/dbraw/zinc/88/04/02/999880402.db2.gz XVSMBVMEKLBXEN-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 ZINC000745617573 999921818 /nfs/dbraw/zinc/92/18/18/999921818.db2.gz JYAPTQWJWPRSAG-UHFFFAOYSA-N -1 1 372.377 2.725 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[nH]nc1C1CC1 ZINC000766496207 999997657 /nfs/dbraw/zinc/99/76/57/999997657.db2.gz ZXRIQXQMUXOJML-UHFFFAOYSA-N -1 1 373.394 2.853 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2F)cc1F ZINC001184586261 1002652742 /nfs/dbraw/zinc/65/27/42/1002652742.db2.gz CBNSERSJUVZIEN-UHFFFAOYSA-N -1 1 356.350 2.702 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCCO1 ZINC001195545400 1004988259 /nfs/dbraw/zinc/98/82/59/1004988259.db2.gz SBPFVRLWXHFWHM-ZDUSSCGKSA-N -1 1 366.798 2.625 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc2C1 ZINC001195594153 1004994363 /nfs/dbraw/zinc/99/43/63/1004994363.db2.gz SQYAGADQVKKPTG-CQSZACIVSA-N -1 1 364.398 2.960 20 5 FFBDMM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000801203093 1018732834 /nfs/dbraw/zinc/73/28/34/1018732834.db2.gz GFYVZQUWAYASTN-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072846 1019490681 /nfs/dbraw/zinc/49/06/81/1019490681.db2.gz VEMDCUIQFKQPIT-SNVBAGLBSA-N -1 1 362.313 2.932 20 5 FFBDMM CC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000780077342 1019637813 /nfs/dbraw/zinc/63/78/13/1019637813.db2.gz XDCAFYOBDXRXLL-INIZCTEOSA-N -1 1 358.350 2.552 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1c(F)cccc1F ZINC000780076978 1019670210 /nfs/dbraw/zinc/67/02/10/1019670210.db2.gz ZIMCSLGABURNAV-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000758344547 1024059213 /nfs/dbraw/zinc/05/92/13/1024059213.db2.gz JDNPNFNSAJRIBZ-AWEZNQCLSA-N -1 1 355.350 2.872 20 5 FFBDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664481 1034357258 /nfs/dbraw/zinc/35/72/58/1034357258.db2.gz OXYWJJMBMLZQKP-PWSUYJOCSA-N -1 1 353.375 2.720 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC12CC(Oc1[n-]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225668167 1034358628 /nfs/dbraw/zinc/35/86/28/1034358628.db2.gz YZJMZHZEXJGHCP-UHFFFAOYSA-N -1 1 351.359 2.616 20 5 FFBDMM O=c1cc[n-]c(O[C@@H]2COCc3cc(Br)cnc32)c1[N+](=O)[O-] ZINC001225666065 1034359767 /nfs/dbraw/zinc/35/97/67/1034359767.db2.gz FWODFLQCSTXFLU-SNVBAGLBSA-N -1 1 368.143 2.503 20 5 FFBDMM CC1(C)COC(=O)[C@H]1Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306427 1035500467 /nfs/dbraw/zinc/50/04/67/1035500467.db2.gz JYPLDWHFOHIRIT-QGZVFWFLSA-N -1 1 356.330 2.688 20 5 FFBDMM CC(C)C(=O)OCC(C)(C)[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228140679 1035957359 /nfs/dbraw/zinc/95/73/59/1035957359.db2.gz MFGBOZVFVUCTTO-LBPRGKRZSA-N -1 1 355.391 2.719 20 5 FFBDMM Cc1cc2nc3nc(=O)[n-]c(OC4CCN(CCF)CC4)c3nc2cc1C ZINC001228685848 1036258104 /nfs/dbraw/zinc/25/81/04/1036258104.db2.gz IYLFFJVONUCJLS-UHFFFAOYSA-N -1 1 371.416 2.708 20 5 FFBDMM COC(=O)[C@H]1C[C@@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229800969 1036906235 /nfs/dbraw/zinc/90/62/35/1036906235.db2.gz CLCFEPQEVYQRJT-JGZJWPJOSA-N -1 1 356.330 2.688 20 5 FFBDMM O=C1CCCC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234128826 1036931149 /nfs/dbraw/zinc/93/11/49/1036931149.db2.gz OMZUPIFHUONXRT-CYBMUJFWSA-N -1 1 356.330 2.954 20 5 FFBDMM C[C@H]1COCC[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234748722 1037164419 /nfs/dbraw/zinc/16/44/19/1037164419.db2.gz JRCJQDLBOTXFLH-XPTSAGLGSA-N -1 1 358.346 2.867 20 5 FFBDMM CC1(C)OC[C@H](CCOc2c([O-])cc(Br)cc2[N+](=O)[O-])O1 ZINC001234877619 1037218854 /nfs/dbraw/zinc/21/88/54/1037218854.db2.gz PJTLQUVURRYGNU-VIFPVBQESA-N -1 1 362.176 2.983 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001231259539 1037513233 /nfs/dbraw/zinc/51/32/33/1037513233.db2.gz NYMWGKQKDVRIOO-JTQLQIEISA-N -1 1 353.375 2.638 20 5 FFBDMM CCOC(=O)[C@@H](C)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001231261186 1037515787 /nfs/dbraw/zinc/51/57/87/1037515787.db2.gz ZFYNWIOBGHKKPW-XVKPBYJWSA-N -1 1 352.265 2.513 20 5 FFBDMM COC(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001231263459 1037516266 /nfs/dbraw/zinc/51/62/66/1037516266.db2.gz JSHGKDAFQZPLRZ-ZDUSSCGKSA-N -1 1 352.730 2.950 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCc2ccco2)cc1F ZINC001208040644 1037966600 /nfs/dbraw/zinc/96/66/00/1037966600.db2.gz NBOCDGGKXIOHCO-LLVKDONJSA-N -1 1 356.375 2.935 20 5 FFBDMM CCOc1nc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394312 1039518954 /nfs/dbraw/zinc/51/89/54/1039518954.db2.gz UTOJVBXKQQIPMP-UHFFFAOYSA-N -1 1 355.148 2.995 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)ccc1N ZINC001211295500 1040069942 /nfs/dbraw/zinc/06/99/42/1040069942.db2.gz MHGPNBHTOWLAKZ-UHFFFAOYSA-N -1 1 366.355 2.503 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOC2(CCC2)C1 ZINC001262076040 1041539507 /nfs/dbraw/zinc/53/95/07/1041539507.db2.gz JQHRAHRBPNELDM-CYBMUJFWSA-N -1 1 360.457 2.674 20 5 FFBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1F ZINC001321021957 1045515768 /nfs/dbraw/zinc/51/57/68/1045515768.db2.gz PBPPQTGMCJLMMK-UHFFFAOYSA-N -1 1 371.321 2.632 20 5 FFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC001302668578 1051166160 /nfs/dbraw/zinc/16/61/60/1051166160.db2.gz WDGGCHWAHIPXET-LBPRGKRZSA-N -1 1 361.354 2.594 20 5 FFBDMM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306822687 1052193818 /nfs/dbraw/zinc/19/38/18/1052193818.db2.gz WVSOHDWRKABROG-ZDUSSCGKSA-N -1 1 363.757 2.993 20 5 FFBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1cc(F)cc(F)c1 ZINC001306840492 1052197302 /nfs/dbraw/zinc/19/73/02/1052197302.db2.gz DGIRXDSEIJZTOZ-UHFFFAOYSA-N -1 1 367.308 2.561 20 5 FFBDMM O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001542755851 1071294188 /nfs/dbraw/zinc/29/41/88/1071294188.db2.gz GLHPNNKQDAPTSE-UHFFFAOYSA-N -1 1 373.756 2.669 20 5 FFBDMM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001542755851 1071294195 /nfs/dbraw/zinc/29/41/95/1071294195.db2.gz GLHPNNKQDAPTSE-UHFFFAOYSA-N -1 1 373.756 2.669 20 5 FFBDMM CNc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)cc1[N+](=O)[O-] ZINC001472040550 1064904732 /nfs/dbraw/zinc/90/47/32/1064904732.db2.gz FDLMQYVMXUYTJJ-UHFFFAOYSA-N -1 1 351.309 2.593 20 5 FFBDMM CC[C@@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001576927491 1078287696 /nfs/dbraw/zinc/28/76/96/1078287696.db2.gz YFXTZIOESAKKLN-QMMMGPOBSA-N -1 1 368.419 2.616 20 5 FFBDMM CC[C@@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001576927491 1078287700 /nfs/dbraw/zinc/28/77/00/1078287700.db2.gz YFXTZIOESAKKLN-QMMMGPOBSA-N -1 1 368.419 2.616 20 5 FFBDMM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1snc(C)c1-c1nnn[n-]1 ZINC001577544310 1078375859 /nfs/dbraw/zinc/37/58/59/1078375859.db2.gz PFVOCICFPCDJHD-UHFFFAOYSA-N -1 1 373.398 2.597 20 5 FFBDMM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1snc(C)c1-c1nn[n-]n1 ZINC001577544310 1078375863 /nfs/dbraw/zinc/37/58/63/1078375863.db2.gz PFVOCICFPCDJHD-UHFFFAOYSA-N -1 1 373.398 2.597 20 5 FFBDMM C[Si](C)(C)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC001561505903 1076385925 /nfs/dbraw/zinc/38/59/25/1076385925.db2.gz IFGDUERZPSIHGZ-UHFFFAOYSA-N -1 1 370.528 2.680 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2cccc(F)c2)cs1 ZINC001561729110 1076413643 /nfs/dbraw/zinc/41/36/43/1076413643.db2.gz YECXBKLQJOCHQM-UHFFFAOYSA-N -1 1 366.342 2.866 20 5 FFBDMM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590255792 1081127119 /nfs/dbraw/zinc/12/71/19/1081127119.db2.gz XVQFNVLNZQJKNN-GXSJLCMTSA-N -1 1 352.420 2.844 20 5 FFBDMM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590255792 1081127120 /nfs/dbraw/zinc/12/71/20/1081127120.db2.gz XVQFNVLNZQJKNN-GXSJLCMTSA-N -1 1 352.420 2.844 20 5 FFBDMM Cc1cc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)nn1C(F)F ZINC000536458273 540597405 /nfs/dbraw/zinc/59/74/05/540597405.db2.gz GRKDVUUXYGIMGN-UHFFFAOYSA-N -1 1 363.284 2.532 20 5 FFBDMM COCc1nsc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n1 ZINC000273063711 252205225 /nfs/dbraw/zinc/20/52/25/252205225.db2.gz IDDGOLLPGPFBCC-UHFFFAOYSA-N -1 1 370.412 2.576 20 5 FFBDMM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOCC1 ZINC000290893897 257363064 /nfs/dbraw/zinc/36/30/64/257363064.db2.gz ZWOZTAACXLIZHU-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] ZINC000290902175 257363670 /nfs/dbraw/zinc/36/36/70/257363670.db2.gz FINYJLOUQGRCNM-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM C[C@H](O)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301285460 258040077 /nfs/dbraw/zinc/04/00/77/258040077.db2.gz LRDUCNHKWNVTIL-LBPRGKRZSA-N -1 1 365.411 2.578 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Oc2cc([N+](=O)[O-])ccc2C)c(=O)[n-]1 ZINC000045998126 507060689 /nfs/dbraw/zinc/06/06/89/507060689.db2.gz AVSQYLVNUAIZMR-UHFFFAOYSA-N -1 1 363.395 2.967 20 5 FFBDMM CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000068073976 507099637 /nfs/dbraw/zinc/09/96/37/507099637.db2.gz ZUMQHYBABAPBQZ-UHFFFAOYSA-N -1 1 351.344 2.904 20 5 FFBDMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377663921 512384315 /nfs/dbraw/zinc/38/43/15/512384315.db2.gz VSUDXSPVYPYSFP-UHFFFAOYSA-N -1 1 373.384 2.834 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)s1 ZINC000134465798 508536620 /nfs/dbraw/zinc/53/66/20/508536620.db2.gz YZHVFQHXBOOXDP-LALPHHSUSA-N -1 1 350.421 2.521 20 5 FFBDMM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000185741456 509333808 /nfs/dbraw/zinc/33/38/08/509333808.db2.gz BIKRVNYTOOFPKR-WBMJQRKESA-N -1 1 357.366 2.606 20 5 FFBDMM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C(C)(C)C ZINC000173985877 509890080 /nfs/dbraw/zinc/89/00/80/509890080.db2.gz KSIDXZOGWNOZBG-UHFFFAOYSA-N -1 1 353.356 2.981 20 5 FFBDMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193546707 509959790 /nfs/dbraw/zinc/95/97/90/509959790.db2.gz PAQFLBAQDAIEFG-INIZCTEOSA-N -1 1 350.334 2.610 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(COc2ccccc2)CC1 ZINC000187007694 510000784 /nfs/dbraw/zinc/00/07/84/510000784.db2.gz FYYFTNYTONWBDI-UHFFFAOYSA-N -1 1 357.366 2.627 20 5 FFBDMM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(CC)CC ZINC000193681175 510017329 /nfs/dbraw/zinc/01/73/29/510017329.db2.gz CNEOJSLJQFLUEW-KGLIPLIRSA-N -1 1 351.403 2.751 20 5 FFBDMM CCO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(CC)CC ZINC000193681188 510017876 /nfs/dbraw/zinc/01/78/76/510017876.db2.gz CNEOJSLJQFLUEW-KBPBESRZSA-N -1 1 351.403 2.751 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000187077658 510042196 /nfs/dbraw/zinc/04/21/96/510042196.db2.gz UPPBPXKAEGBCQX-QMMMGPOBSA-N -1 1 350.400 2.940 20 5 FFBDMM CCOc1ccc(Cl)cc1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187206933 510123463 /nfs/dbraw/zinc/12/34/63/510123463.db2.gz IPTUWNHRIDGNIA-UHFFFAOYSA-N -1 1 365.773 2.720 20 5 FFBDMM CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000194005155 510172803 /nfs/dbraw/zinc/17/28/03/510172803.db2.gz NJWVORXDFYCOFF-UHFFFAOYSA-N -1 1 350.849 2.812 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000174718768 510269753 /nfs/dbraw/zinc/26/97/53/510269753.db2.gz ZPMIISOLJKXQCR-LBPRGKRZSA-N -1 1 359.407 2.950 20 5 FFBDMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194410384 510350822 /nfs/dbraw/zinc/35/08/22/510350822.db2.gz JKRILPIBXYIGLV-CJNGLKHVSA-N -1 1 357.366 2.593 20 5 FFBDMM COc1ccc(C2(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC000188350339 510723694 /nfs/dbraw/zinc/72/36/94/510723694.db2.gz AUSCIFYZYISYRH-UHFFFAOYSA-N -1 1 357.366 2.903 20 5 FFBDMM O=C(NCc1ccc(Br)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188475289 510786210 /nfs/dbraw/zinc/78/62/10/510786210.db2.gz RJGVDHXCUHYMRM-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182168440 510792385 /nfs/dbraw/zinc/79/23/85/510792385.db2.gz XLDMUWRONZFISL-UHFFFAOYSA-N -1 1 371.393 2.509 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000283108526 511238608 /nfs/dbraw/zinc/23/86/08/511238608.db2.gz XEVCGLJJEYHPRH-HNNXBMFYSA-N -1 1 364.379 2.563 20 5 FFBDMM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303039785 511726254 /nfs/dbraw/zinc/72/62/54/511726254.db2.gz PQBBUZIQAPQVEF-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363858210 511812164 /nfs/dbraw/zinc/81/21/64/511812164.db2.gz UTVYCOXSOSXQCG-UHFFFAOYSA-N -1 1 368.389 2.964 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1OCCc2sccc21 ZINC000366225565 511911006 /nfs/dbraw/zinc/91/10/06/511911006.db2.gz FUJRHTMREHDURP-SDBXPKJASA-N -1 1 374.465 2.699 20 5 FFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000285048486 511981163 /nfs/dbraw/zinc/98/11/63/511981163.db2.gz JRWUGHRBRNJUOX-UHFFFAOYSA-N -1 1 371.806 2.743 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000274904279 511983396 /nfs/dbraw/zinc/98/33/96/511983396.db2.gz QXPVNBSKRPJJLD-JTQLQIEISA-N -1 1 370.365 2.535 20 5 FFBDMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376561238 512874781 /nfs/dbraw/zinc/87/47/81/512874781.db2.gz JZDFYEZBROBMKL-HNNXBMFYSA-N -1 1 355.394 2.695 20 5 FFBDMM Cc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000377061789 513104661 /nfs/dbraw/zinc/10/46/61/513104661.db2.gz NOAWTPWPNIVZIX-KRWDZBQOSA-N -1 1 364.361 2.918 20 5 FFBDMM CCOC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000417661174 513144964 /nfs/dbraw/zinc/14/49/64/513144964.db2.gz RRBIUIDJJKBQIA-CYBMUJFWSA-N -1 1 350.396 2.903 20 5 FFBDMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000446765036 513334179 /nfs/dbraw/zinc/33/41/79/513334179.db2.gz MPLQAQKAUKNJSZ-UHFFFAOYSA-N -1 1 364.379 2.632 20 5 FFBDMM CCOC(=O)c1cnc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000415645241 513360071 /nfs/dbraw/zinc/36/00/71/513360071.db2.gz HNHVAPMXYGOQLS-GFCCVEGCSA-N -1 1 360.370 2.702 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000415645241 513360073 /nfs/dbraw/zinc/36/00/73/513360073.db2.gz HNHVAPMXYGOQLS-GFCCVEGCSA-N -1 1 360.370 2.702 20 5 FFBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000416579126 513844966 /nfs/dbraw/zinc/84/49/66/513844966.db2.gz BFKYAIQUGLMQGH-XPTSAGLGSA-N -1 1 362.835 2.730 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431626387 513948987 /nfs/dbraw/zinc/94/89/87/513948987.db2.gz VHKUIJYTLXCOAG-CQSZACIVSA-N -1 1 372.349 2.888 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000428040249 514383603 /nfs/dbraw/zinc/38/36/03/514383603.db2.gz VKUUNYZCCIGMQR-UHFFFAOYSA-N -1 1 372.768 2.960 20 5 FFBDMM Cc1sc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000466967389 514844662 /nfs/dbraw/zinc/84/46/62/514844662.db2.gz YUWNOUYFZXDCGE-UHFFFAOYSA-N -1 1 360.344 2.603 20 5 FFBDMM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000503935062 515172506 /nfs/dbraw/zinc/17/25/06/515172506.db2.gz DOVXCMIAFNDFBK-UHFFFAOYSA-N -1 1 368.436 2.675 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000490625589 515266356 /nfs/dbraw/zinc/26/63/56/515266356.db2.gz DRPSFPDNDMNNDE-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)OCO2 ZINC000479277032 516135788 /nfs/dbraw/zinc/13/57/88/516135788.db2.gz IFVHQLOJAALVTH-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNC2(c3nn[n-]n3)CCCC2)o1 ZINC000547449365 516343812 /nfs/dbraw/zinc/34/38/12/516343812.db2.gz XNGCLQMTDCGBEV-UHFFFAOYSA-N -1 1 354.370 2.927 20 5 FFBDMM O=[N+]([O-])c1ccccc1-c1ccc(CNC2(c3nnn[n-]3)CCCC2)o1 ZINC000547449365 516343816 /nfs/dbraw/zinc/34/38/16/516343816.db2.gz XNGCLQMTDCGBEV-UHFFFAOYSA-N -1 1 354.370 2.927 20 5 FFBDMM COc1cc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000543683290 516364927 /nfs/dbraw/zinc/36/49/27/516364927.db2.gz HSNPDHFARBKHKT-NSHDSACASA-N -1 1 370.349 2.859 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1[N+](=O)[O-] ZINC000535656066 516436226 /nfs/dbraw/zinc/43/62/26/516436226.db2.gz WSIQDODLVBUKNR-UHFFFAOYSA-N -1 1 359.363 2.546 20 5 FFBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000535691514 516450902 /nfs/dbraw/zinc/45/09/02/516450902.db2.gz GANPTCJOMUORGS-QMMMGPOBSA-N -1 1 373.822 2.529 20 5 FFBDMM COc1cc(CN2CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000518384667 516639103 /nfs/dbraw/zinc/63/91/03/516639103.db2.gz HHHIHJLIBOZHJV-LLVKDONJSA-N -1 1 374.340 2.686 20 5 FFBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000514931258 517129332 /nfs/dbraw/zinc/12/93/32/517129332.db2.gz USMPFUHNWIVZCP-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cc(F)cc21 ZINC000515367698 517321984 /nfs/dbraw/zinc/32/19/84/517321984.db2.gz KGQLUDACBFGLAB-ZDUSSCGKSA-N -1 1 369.349 2.624 20 5 FFBDMM CC(C)COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000520738546 517494505 /nfs/dbraw/zinc/49/45/05/517494505.db2.gz NTDSVMVOJMITLJ-UHFFFAOYSA-N -1 1 359.382 2.703 20 5 FFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000516075907 517556376 /nfs/dbraw/zinc/55/63/76/517556376.db2.gz JBMDEYMVNATGTN-STQMWFEESA-N -1 1 366.414 2.935 20 5 FFBDMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])c(Cl)c1 ZINC000516638196 517784170 /nfs/dbraw/zinc/78/41/70/517784170.db2.gz MYXHDCKROFZQAY-UHFFFAOYSA-N -1 1 363.757 2.712 20 5 FFBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000538855586 517811162 /nfs/dbraw/zinc/81/11/62/517811162.db2.gz YLWGOIWOIVMTOB-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000542930468 517821860 /nfs/dbraw/zinc/82/18/60/517821860.db2.gz QFVNZMLFJJPVMG-UHFFFAOYSA-N -1 1 352.368 2.803 20 5 FFBDMM COc1ccc(OCCSc2nc(C)c(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000539616072 518122141 /nfs/dbraw/zinc/12/21/41/518122141.db2.gz FQTLRTZAJVMNPX-UHFFFAOYSA-N -1 1 351.384 2.887 20 5 FFBDMM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000581493990 518315216 /nfs/dbraw/zinc/31/52/16/518315216.db2.gz RLROUPZGDLNKEY-AWEZNQCLSA-N -1 1 362.304 2.537 20 5 FFBDMM COC[C@]1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000581493990 518315222 /nfs/dbraw/zinc/31/52/22/518315222.db2.gz RLROUPZGDLNKEY-AWEZNQCLSA-N -1 1 362.304 2.537 20 5 FFBDMM CC(C)c1nc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000579477972 518700627 /nfs/dbraw/zinc/70/06/27/518700627.db2.gz RJHREQIENIJRMB-SSDOTTSWSA-N -1 1 353.766 2.686 20 5 FFBDMM CS(=O)(=O)[N-]c1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cn1 ZINC000565265223 518867994 /nfs/dbraw/zinc/86/79/94/518867994.db2.gz CKKIDXITWRUZPV-UHFFFAOYSA-N -1 1 360.351 2.702 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000582698092 518876581 /nfs/dbraw/zinc/87/65/81/518876581.db2.gz YSGQKMDDDFPNPY-UHFFFAOYSA-N -1 1 368.342 2.795 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000571211781 518980820 /nfs/dbraw/zinc/98/08/20/518980820.db2.gz MQKNMADCEAVGKP-UHFFFAOYSA-N -1 1 356.350 2.974 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)c([N+](=O)[O-])n1 ZINC000594792166 520160180 /nfs/dbraw/zinc/16/01/80/520160180.db2.gz LEXRMJOOAKIDSM-CYBMUJFWSA-N -1 1 356.448 2.593 20 5 FFBDMM O=C([O-])c1ccc(F)c2c1CN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000600674407 520390661 /nfs/dbraw/zinc/39/06/61/520390661.db2.gz MMUQPWXBBKXDJB-UHFFFAOYSA-N -1 1 360.341 2.869 20 5 FFBDMM CC(C)Oc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603976192 520420128 /nfs/dbraw/zinc/42/01/28/520420128.db2.gz XHTCDGQYJCZXHO-UHFFFAOYSA-N -1 1 352.368 2.888 20 5 FFBDMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609922017 520481895 /nfs/dbraw/zinc/48/18/95/520481895.db2.gz IFRLZCZRVBKSBF-YMTOWFKASA-N -1 1 365.773 2.855 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000610211857 520583130 /nfs/dbraw/zinc/58/31/30/520583130.db2.gz BXRPEDAJCVQDNG-UHFFFAOYSA-N -1 1 373.843 2.714 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000610266053 520612620 /nfs/dbraw/zinc/61/26/20/520612620.db2.gz JSJLFXOCVOGYPF-FZQKWOKYSA-N -1 1 374.846 2.730 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2cccnc2)cc1 ZINC000610316824 520633534 /nfs/dbraw/zinc/63/35/34/520633534.db2.gz RJLNJRLEYTWVKK-UHFFFAOYSA-N -1 1 370.390 2.530 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCC(C)C)c([N+](=O)[O-])n1 ZINC000611105509 520987021 /nfs/dbraw/zinc/98/70/21/520987021.db2.gz ZWWSNRRNHYCVLE-CHWSQXEVSA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000601881450 521003895 /nfs/dbraw/zinc/00/38/95/521003895.db2.gz NESRCWRAGZXLIL-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618378015 521041280 /nfs/dbraw/zinc/04/12/80/521041280.db2.gz LIQQYVHBNNAJIT-RNFRBKRXSA-N -1 1 373.209 2.508 20 5 FFBDMM CC1(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000599472717 521245034 /nfs/dbraw/zinc/24/50/34/521245034.db2.gz NENIRYJRSXQKEM-UHFFFAOYSA-N -1 1 360.819 2.676 20 5 FFBDMM O=C([O-])c1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000738672536 600167573 /nfs/dbraw/zinc/16/75/73/600167573.db2.gz IFQDYWVSPKVSTJ-UHFFFAOYSA-N -1 1 374.740 2.753 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738250804 600612584 /nfs/dbraw/zinc/61/25/84/600612584.db2.gz FXYQMSASFPYUGB-UHFFFAOYSA-N -1 1 365.367 2.818 20 5 FFBDMM O=C([O-])N1CCCc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc21 ZINC000834052797 605780261 /nfs/dbraw/zinc/78/02/61/605780261.db2.gz KPNGGJSVGQTQGI-UHFFFAOYSA-N -1 1 357.322 2.983 20 5 FFBDMM O=[N+]([O-])c1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000823634177 606645102 /nfs/dbraw/zinc/64/51/02/606645102.db2.gz BRRJUNRHTDRPDC-ZDUSSCGKSA-N -1 1 365.397 2.713 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620230 606718576 /nfs/dbraw/zinc/71/85/76/606718576.db2.gz INQPWUOKHJPKCL-RKDXNWHRSA-N -1 1 371.323 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620230 606718578 /nfs/dbraw/zinc/71/85/78/606718578.db2.gz INQPWUOKHJPKCL-RKDXNWHRSA-N -1 1 371.323 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620228 606718666 /nfs/dbraw/zinc/71/86/66/606718666.db2.gz INQPWUOKHJPKCL-DTWKUNHWSA-N -1 1 371.323 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620228 606718668 /nfs/dbraw/zinc/71/86/68/606718668.db2.gz INQPWUOKHJPKCL-DTWKUNHWSA-N -1 1 371.323 2.951 20 5 FFBDMM CC(C)c1ccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820192394 607168718 /nfs/dbraw/zinc/16/87/18/607168718.db2.gz MFCYHSDTDNIIGQ-UHFFFAOYSA-N -1 1 369.385 2.784 20 5 FFBDMM CC(C)c1ccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820192394 607168720 /nfs/dbraw/zinc/16/87/20/607168720.db2.gz MFCYHSDTDNIIGQ-UHFFFAOYSA-N -1 1 369.385 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000101571226 728486406 /nfs/dbraw/zinc/48/64/06/728486406.db2.gz UWZQYUJPFMADGT-LBPRGKRZSA-N -1 1 368.798 2.530 20 5 FFBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101576064 728486707 /nfs/dbraw/zinc/48/67/07/728486707.db2.gz MLILQZSPBDSBQX-UHFFFAOYSA-N -1 1 369.830 2.793 20 5 FFBDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119470267 728594922 /nfs/dbraw/zinc/59/49/22/728594922.db2.gz COJFKHPHFLIRFE-UHFFFAOYSA-N -1 1 356.425 2.922 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121461934 728627961 /nfs/dbraw/zinc/62/79/61/728627961.db2.gz SASSHNAWKSLXEW-CYBMUJFWSA-N -1 1 370.814 2.650 20 5 FFBDMM COc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000123675466 728661191 /nfs/dbraw/zinc/66/11/91/728661191.db2.gz YDSJXOUJOGHCAG-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000134663477 728731978 /nfs/dbraw/zinc/73/19/78/728731978.db2.gz YXUHJSSXAZREPI-LBPRGKRZSA-N -1 1 372.418 2.894 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cn(Cc2cccs2)nn1 ZINC000175099244 729087128 /nfs/dbraw/zinc/08/71/28/729087128.db2.gz CGDVXMJPIZSTTI-UHFFFAOYSA-N -1 1 365.321 2.827 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOc1ccc(F)cc1 ZINC000195030932 729527600 /nfs/dbraw/zinc/52/76/00/729527600.db2.gz JWDABWQGAMOVNM-UHFFFAOYSA-N -1 1 372.349 2.620 20 5 FFBDMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000312750573 729743849 /nfs/dbraw/zinc/74/38/49/729743849.db2.gz ZDMLLIVARGXPKS-NSHDSACASA-N -1 1 363.233 2.824 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866904131 731116451 /nfs/dbraw/zinc/11/64/51/731116451.db2.gz PXRJCQHEQWDUHI-CYBMUJFWSA-N -1 1 360.407 2.526 20 5 FFBDMM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000780072033 738514105 /nfs/dbraw/zinc/51/41/05/738514105.db2.gz NORASLSEQKYNIK-AWEZNQCLSA-N -1 1 352.387 2.787 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCCC(F)(F)F)s1 ZINC000867786301 731225505 /nfs/dbraw/zinc/22/55/05/731225505.db2.gz QNCOWYLAQSACAW-UHFFFAOYSA-N -1 1 364.392 2.620 20 5 FFBDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783023277 738773773 /nfs/dbraw/zinc/77/37/73/738773773.db2.gz HYZMDZMGZYYVEI-UHFFFAOYSA-N -1 1 374.371 2.524 20 5 FFBDMM COc1ccc(C2([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000731675688 734690752 /nfs/dbraw/zinc/69/07/52/734690752.db2.gz GAZOVWIDTDAPOR-UHFFFAOYSA-N -1 1 366.370 2.710 20 5 FFBDMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000742327832 735228176 /nfs/dbraw/zinc/22/81/76/735228176.db2.gz HHXAPFGDXFBGSS-NXEZZACHSA-N -1 1 350.849 2.811 20 5 FFBDMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757723364 736422442 /nfs/dbraw/zinc/42/24/42/736422442.db2.gz BGUFIPVBDZFUPA-UHFFFAOYSA-N -1 1 369.212 2.963 20 5 FFBDMM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000768889145 737473178 /nfs/dbraw/zinc/47/31/78/737473178.db2.gz PPLRYOAFUMSRAD-JTQLQIEISA-N -1 1 359.454 2.777 20 5 FFBDMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768891160 737473654 /nfs/dbraw/zinc/47/36/54/737473654.db2.gz YWZGRXJVWAKOCF-UHFFFAOYSA-N -1 1 370.408 2.864 20 5 FFBDMM CC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818624 741347664 /nfs/dbraw/zinc/34/76/64/741347664.db2.gz MOGXVROYPGOYFX-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM COc1ccc(OCCOC(=O)c2ccc([O-])cc2F)c([N+](=O)[O-])c1 ZINC000773574200 737921484 /nfs/dbraw/zinc/92/14/84/737921484.db2.gz BMWKFTRGFXOWHX-UHFFFAOYSA-N -1 1 351.286 2.684 20 5 FFBDMM CCOC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000815067483 741894440 /nfs/dbraw/zinc/89/44/40/741894440.db2.gz ZTGNTSDWQOBIPD-UHFFFAOYSA-N -1 1 362.835 2.876 20 5 FFBDMM COc1cc(Cl)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000775295876 738080816 /nfs/dbraw/zinc/08/08/16/738080816.db2.gz DLGIWWDNIYPUMY-UHFFFAOYSA-N -1 1 358.759 2.763 20 5 FFBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(=O)[O-] ZINC000923252255 738261911 /nfs/dbraw/zinc/26/19/11/738261911.db2.gz KRDVFLBKXPKKIA-BXKDBHETSA-N -1 1 357.204 2.900 20 5 FFBDMM Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])cc1C ZINC000794607603 739910201 /nfs/dbraw/zinc/91/02/01/739910201.db2.gz AODFYLGDHPUXHX-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C ZINC000798228550 740314779 /nfs/dbraw/zinc/31/47/79/740314779.db2.gz MTOUJWINISGSBH-GFCCVEGCSA-N -1 1 368.814 2.727 20 5 FFBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809835832 741351561 /nfs/dbraw/zinc/35/15/61/741351561.db2.gz LACFQYGQGONTGS-UHFFFAOYSA-N -1 1 368.814 2.607 20 5 FFBDMM COc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814975231 741877429 /nfs/dbraw/zinc/87/74/29/741877429.db2.gz YRIUMRJJDQOYNW-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017323 741883143 /nfs/dbraw/zinc/88/31/43/741883143.db2.gz ZFDCEIUOZISKSR-VIFPVBQESA-N -1 1 368.814 2.871 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000815027935 741885874 /nfs/dbraw/zinc/88/58/74/741885874.db2.gz ZYCWXNOLSKGDPY-ZYHUDNBSSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000815028861 741886206 /nfs/dbraw/zinc/88/62/06/741886206.db2.gz JGRXLOSCEJQYJL-HTQZYQBOSA-N -1 1 366.798 2.622 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830930138 745452467 /nfs/dbraw/zinc/45/24/67/745452467.db2.gz ZLNCQFJVMPKJHS-VIFPVBQESA-N -1 1 369.226 2.605 20 5 FFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC ZINC000831763904 745581004 /nfs/dbraw/zinc/58/10/04/745581004.db2.gz PEIRPJUHXNRYTR-QMMMGPOBSA-N -1 1 371.242 2.995 20 5 FFBDMM Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832170056 745649903 /nfs/dbraw/zinc/64/99/03/745649903.db2.gz CZQPREXRUFIFAA-UHFFFAOYSA-N -1 1 369.830 2.863 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CS1 ZINC000841561640 747400664 /nfs/dbraw/zinc/40/06/64/747400664.db2.gz SHNFBJJTBDYYRW-BQBZGAKWSA-N -1 1 354.812 2.560 20 5 FFBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000010902977 845014957 /nfs/dbraw/zinc/01/49/57/845014957.db2.gz NPDZVVDAOWVFMF-UHFFFAOYSA-N -1 1 366.717 2.529 20 5 FFBDMM CCOc1ccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821417819 945691134 /nfs/dbraw/zinc/69/11/34/945691134.db2.gz SXEJGTXKMKAOKR-JTQLQIEISA-N -1 1 355.358 2.742 20 5 FFBDMM CCOc1ccc([C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821417819 945691139 /nfs/dbraw/zinc/69/11/39/945691139.db2.gz SXEJGTXKMKAOKR-JTQLQIEISA-N -1 1 355.358 2.742 20 5 FFBDMM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2F)cccc1[N+](=O)[O-] ZINC000773584003 1013740459 /nfs/dbraw/zinc/74/04/59/1013740459.db2.gz SBSNQNQVVPMCNL-JTQLQIEISA-N -1 1 362.313 2.932 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001272341470 986554321 /nfs/dbraw/zinc/55/43/21/986554321.db2.gz FTANIDWIAPLOTP-UHFFFAOYSA-N -1 1 358.354 2.555 20 5 FFBDMM COC[C@]1(C(=O)[O-])CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001599193120 997160964 /nfs/dbraw/zinc/16/09/64/997160964.db2.gz WSPLURWBIOTKEE-SFHVURJKSA-N -1 1 360.366 2.920 20 5 FFBDMM O=C([N-]c1c(F)ccnc1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001129366904 1000115248 /nfs/dbraw/zinc/11/52/48/1000115248.db2.gz GNVATUMFBCFBKK-UHFFFAOYSA-N -1 1 351.265 2.682 20 5 FFBDMM COc1ccc(-c2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)no2)cc1 ZINC000769048901 1000412106 /nfs/dbraw/zinc/41/21/06/1000412106.db2.gz NOOJYZKLWFFICB-UHFFFAOYSA-N -1 1 371.305 2.716 20 5 FFBDMM O=C([N-]Cc1ccc(OC(F)F)cn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000772778930 1002762801 /nfs/dbraw/zinc/76/28/01/1002762801.db2.gz WMNOPMDQYMPOAJ-UHFFFAOYSA-N -1 1 373.262 2.999 20 5 FFBDMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC001193820028 1004590459 /nfs/dbraw/zinc/59/04/59/1004590459.db2.gz SVWJFGOBOKGWQU-UHFFFAOYSA-N -1 1 356.350 2.968 20 5 FFBDMM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000808058788 1004743764 /nfs/dbraw/zinc/74/37/64/1004743764.db2.gz WJZFRKXQVMNSNQ-UHFFFAOYSA-N -1 1 373.331 2.692 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001189823865 1007293794 /nfs/dbraw/zinc/29/37/94/1007293794.db2.gz YABKCLDENMFMBS-QWHCGFSZSA-N -1 1 372.491 2.942 20 5 FFBDMM CCSc1cccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001190982729 1007860110 /nfs/dbraw/zinc/86/01/10/1007860110.db2.gz CXKXJMVPUJBXHH-UHFFFAOYSA-N -1 1 353.425 2.580 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000796251944 1011504672 /nfs/dbraw/zinc/50/46/72/1011504672.db2.gz JNBIDECZTQBQFQ-UHFFFAOYSA-N -1 1 361.354 2.749 20 5 FFBDMM CC(=O)Nc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006596626 1013004290 /nfs/dbraw/zinc/00/42/90/1013004290.db2.gz SJJNJVRBKLSMJP-UHFFFAOYSA-N -1 1 373.390 2.602 20 5 FFBDMM O=C(CSc1nncc2ccccc21)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000900668065 1020574171 /nfs/dbraw/zinc/57/41/71/1020574171.db2.gz XYOPWJRFPUZIBF-UHFFFAOYSA-N -1 1 368.374 2.587 20 5 FFBDMM CCOC(=O)c1sc2[n-]c(-c3cc([N+](=O)[O-])ccn3)nc(=O)c2c1C ZINC001116668757 1021344087 /nfs/dbraw/zinc/34/40/87/1021344087.db2.gz QPFFASAJURWNMJ-UHFFFAOYSA-N -1 1 360.351 2.852 20 5 FFBDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000116109653 1022378986 /nfs/dbraw/zinc/37/89/86/1022378986.db2.gz LPDVGQKQXLLTOD-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM COc1cc(Br)ccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893063 1027199683 /nfs/dbraw/zinc/19/96/83/1027199683.db2.gz KTUGQJKJENHJPI-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM Cc1nc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)ccc1Br ZINC001212893823 1027212663 /nfs/dbraw/zinc/21/26/63/1027212663.db2.gz AFIOBMZLVUZLGS-UHFFFAOYSA-N -1 1 351.120 2.501 20 5 FFBDMM Cc1nc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ccc1Br ZINC001212893823 1027212682 /nfs/dbraw/zinc/21/26/82/1027212682.db2.gz AFIOBMZLVUZLGS-UHFFFAOYSA-N -1 1 351.120 2.501 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000796029780 1028408786 /nfs/dbraw/zinc/40/87/86/1028408786.db2.gz QBNXMFONFLSHSG-OKILXGFUSA-N -1 1 363.414 2.599 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661100 1034354559 /nfs/dbraw/zinc/35/45/59/1034354559.db2.gz JCNBIXUNCSLADC-CMPLNLGQSA-N -1 1 371.365 2.812 20 5 FFBDMM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225667660 1034359241 /nfs/dbraw/zinc/35/92/41/1034359241.db2.gz VWEZUJQBEDQIMW-LLVKDONJSA-N -1 1 365.386 2.864 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 ZINC001231264870 1037516822 /nfs/dbraw/zinc/51/68/22/1037516822.db2.gz VJWXJPAAXRTLGU-GMXVVIOVSA-N -1 1 365.386 2.638 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc1[O-] ZINC001250880971 1038775112 /nfs/dbraw/zinc/77/51/12/1038775112.db2.gz OPDLGJNPNLJHDU-UHFFFAOYSA-N -1 1 358.329 2.819 20 5 FFBDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001248470562 1040291796 /nfs/dbraw/zinc/29/17/96/1040291796.db2.gz OGTCFYCEQHJLJK-UHFFFAOYSA-N -1 1 352.368 2.846 20 5 FFBDMM Cc1ccc(Nc2cc(S(=O)(=O)N(C)C)ccc2[O-])cc1[N+](=O)[O-] ZINC001213670099 1040781611 /nfs/dbraw/zinc/78/16/11/1040781611.db2.gz ICWFXSAIOCTQGG-UHFFFAOYSA-N -1 1 351.384 2.603 20 5 FFBDMM Cc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c2ccccc12 ZINC001309587029 1043445255 /nfs/dbraw/zinc/44/52/55/1043445255.db2.gz KSPYBLOLNYQLAP-UHFFFAOYSA-N -1 1 357.391 2.930 20 5 FFBDMM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc([O-])cc1O ZINC001319105040 1045028384 /nfs/dbraw/zinc/02/83/84/1045028384.db2.gz SLGLIILWCJMCPW-UHFFFAOYSA-N -1 1 351.698 2.699 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001321999735 1045908868 /nfs/dbraw/zinc/90/88/68/1045908868.db2.gz GDLGOYLEGOGXEA-LLVKDONJSA-N -1 1 367.365 2.592 20 5 FFBDMM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001329899565 1048959495 /nfs/dbraw/zinc/95/94/95/1048959495.db2.gz WHDLXUZRKPXKSX-JGVFFNPUSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)c1 ZINC001301781959 1050980942 /nfs/dbraw/zinc/98/09/42/1050980942.db2.gz HJGXWGGPZDVEDL-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM Cc1cccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)c1 ZINC001301781959 1050980946 /nfs/dbraw/zinc/98/09/46/1050980946.db2.gz HJGXWGGPZDVEDL-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM CC(C)(C)CCOc1cnccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306854916 1052200985 /nfs/dbraw/zinc/20/09/85/1052200985.db2.gz IUKSBTOUOWZVDH-UHFFFAOYSA-N -1 1 374.397 2.835 20 5 FFBDMM Cc1cccc(F)c1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309232459 1052579013 /nfs/dbraw/zinc/57/90/13/1052579013.db2.gz LTEZLEKJLCELLW-UHFFFAOYSA-N -1 1 356.350 2.968 20 5 FFBDMM CCCCCC[C@](C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OCC ZINC001543172073 1071402027 /nfs/dbraw/zinc/40/20/27/1071402027.db2.gz XYMMMONUPNVSKM-KRWDZBQOSA-N -1 1 367.402 2.717 20 5 FFBDMM O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001444742862 1058329584 /nfs/dbraw/zinc/32/95/84/1058329584.db2.gz MGMNIBCMSZNRRO-UHFFFAOYSA-N -1 1 364.720 2.899 20 5 FFBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC001354931367 1059661065 /nfs/dbraw/zinc/66/10/65/1059661065.db2.gz PJHZMQXRFWHISB-UHFFFAOYSA-N -1 1 355.329 2.934 20 5 FFBDMM CC(C)(C)c1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457624059 1060414908 /nfs/dbraw/zinc/41/49/08/1060414908.db2.gz QULWKORCBAUPMV-UHFFFAOYSA-N -1 1 359.382 2.802 20 5 FFBDMM Cc1ccc2[n-]cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)c(=O)c2c1 ZINC001457745252 1060436585 /nfs/dbraw/zinc/43/65/85/1060436585.db2.gz PUJJAOCUHAERAX-UHFFFAOYSA-N -1 1 363.333 2.873 20 5 FFBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc(C)n1 ZINC001463913850 1062326906 /nfs/dbraw/zinc/32/69/06/1062326906.db2.gz NFFGIBPUUAQQAN-UHFFFAOYSA-N -1 1 373.793 2.878 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)O1 ZINC001464259980 1062511315 /nfs/dbraw/zinc/51/13/15/1062511315.db2.gz NGQMWFCJUMKFDY-XSSZXYGBSA-N -1 1 369.226 2.746 20 5 FFBDMM O=C([N-][C@H](CO)c1ccc(F)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001470401636 1064323240 /nfs/dbraw/zinc/32/32/40/1064323240.db2.gz WPTAXNARNPQFRP-CQSZACIVSA-N -1 1 372.274 2.815 20 5 FFBDMM C[C@](CO)(NC(=O)Cc1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001471122226 1064565502 /nfs/dbraw/zinc/56/55/02/1064565502.db2.gz CCBDSOAIHWXFRM-QGZVFWFLSA-N -1 1 364.785 2.520 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC001471870313 1064830179 /nfs/dbraw/zinc/83/01/79/1064830179.db2.gz RSLQXJBMJVARKP-AWEZNQCLSA-N -1 1 363.414 2.775 20 5 FFBDMM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001474992956 1065666165 /nfs/dbraw/zinc/66/61/65/1065666165.db2.gz IEDHWNAIHQDYJC-VIFPVBQESA-N -1 1 357.363 2.687 20 5 FFBDMM O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001558980022 1076109193 /nfs/dbraw/zinc/10/91/93/1076109193.db2.gz AKWADQAIHZJNNE-UHFFFAOYSA-N -1 1 350.640 2.948 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCS1 ZINC001561986035 1076460417 /nfs/dbraw/zinc/46/04/17/1076460417.db2.gz MIARPPVZNGOGJX-SFYZADRCSA-N -1 1 368.839 2.950 20 5 FFBDMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001570836378 1077234912 /nfs/dbraw/zinc/23/49/12/1077234912.db2.gz GQOPVXLYIKSRLN-UHFFFAOYSA-N -1 1 358.778 2.570 20 5 FFBDMM CC(C)(NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001573919798 1077847541 /nfs/dbraw/zinc/84/75/41/1077847541.db2.gz JJSBBOOCFNFDHO-UHFFFAOYSA-N -1 1 358.383 2.502 20 5 FFBDMM CC(C)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC001589768061 1080721287 /nfs/dbraw/zinc/72/12/87/1080721287.db2.gz HLNKGEZWIYFBKX-UHFFFAOYSA-N -1 1 368.353 2.856 20 5 FFBDMM Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000131633229 251007317 /nfs/dbraw/zinc/00/73/17/251007317.db2.gz ZPFIMSXWPXSHPC-UHFFFAOYSA-N -1 1 369.377 2.739 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000272429776 252037141 /nfs/dbraw/zinc/03/71/41/252037141.db2.gz OXPAISHYCJHCLQ-LBPRGKRZSA-N -1 1 354.384 2.552 20 5 FFBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000272917581 252163038 /nfs/dbraw/zinc/16/30/38/252163038.db2.gz PMEVRZLZBNZKBO-UHFFFAOYSA-N -1 1 366.395 2.593 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000055632750 221072073 /nfs/dbraw/zinc/07/20/73/221072073.db2.gz OXZDHZRKYYJVOC-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM CNC(=O)[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000301791512 258067824 /nfs/dbraw/zinc/06/78/24/258067824.db2.gz QWKBLLUDHRYCAE-JTQLQIEISA-N -1 1 364.280 2.704 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000410172176 512217641 /nfs/dbraw/zinc/21/76/41/512217641.db2.gz PAEUNZZADXAVQM-CQSZACIVSA-N -1 1 370.406 2.626 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(=O)[n-]1 ZINC000014207151 506978935 /nfs/dbraw/zinc/97/89/35/506978935.db2.gz VHFAOYPADRJMQQ-UHFFFAOYSA-N -1 1 362.411 2.588 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000068374953 507207458 /nfs/dbraw/zinc/20/74/58/507207458.db2.gz RAUPOLKSFQORLZ-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000074008701 507976856 /nfs/dbraw/zinc/97/68/56/507976856.db2.gz ABGMNNQMADCVJH-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000116361646 508503439 /nfs/dbraw/zinc/50/34/39/508503439.db2.gz JRZYJNLGJFHLMZ-GMSGAONNSA-N -1 1 360.363 2.769 20 5 FFBDMM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000132092966 508995989 /nfs/dbraw/zinc/99/59/89/508995989.db2.gz NBABDVHZZGGLGG-JTQLQIEISA-N -1 1 355.354 2.556 20 5 FFBDMM Cc1ccc([C@H]2CSCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000185674763 509298108 /nfs/dbraw/zinc/29/81/08/509298108.db2.gz GRIVQNCAVUYRTM-OAHLLOKOSA-N -1 1 359.407 2.934 20 5 FFBDMM O=C(NCCOc1ccc2ccccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193362451 509881590 /nfs/dbraw/zinc/88/15/90/509881590.db2.gz VDQAHDYKQIJEON-UHFFFAOYSA-N -1 1 353.334 2.657 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)cc1[N+](=O)[O-] ZINC000180355407 509883152 /nfs/dbraw/zinc/88/31/52/509883152.db2.gz USAKEZHFAYKQTN-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1[N+](=O)[O-] ZINC000180355407 509883157 /nfs/dbraw/zinc/88/31/57/509883157.db2.gz USAKEZHFAYKQTN-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000183844555 510003220 /nfs/dbraw/zinc/00/32/20/510003220.db2.gz PXHDRZCKQZTUCD-CHWSQXEVSA-N -1 1 368.436 2.855 20 5 FFBDMM CCN1CCN(c2ccccc2NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000184937251 510594124 /nfs/dbraw/zinc/59/41/24/510594124.db2.gz JROVXXYYHGEFAK-UHFFFAOYSA-N -1 1 370.409 2.695 20 5 FFBDMM CCc1cccc2c(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c[nH]c21 ZINC000188466742 510782080 /nfs/dbraw/zinc/78/20/80/510782080.db2.gz MATPICHQKFOHCO-UHFFFAOYSA-N -1 1 354.366 2.712 20 5 FFBDMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc2c1 ZINC000188481558 510789209 /nfs/dbraw/zinc/78/92/09/510789209.db2.gz NWLGSQMHOCWEKD-CQSZACIVSA-N -1 1 367.365 2.857 20 5 FFBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000188481558 510789217 /nfs/dbraw/zinc/78/92/17/510789217.db2.gz NWLGSQMHOCWEKD-CQSZACIVSA-N -1 1 367.365 2.857 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000330462970 510984919 /nfs/dbraw/zinc/98/49/19/510984919.db2.gz YYUJNUAPFLFICI-VXGBXAGGSA-N -1 1 358.464 2.694 20 5 FFBDMM CC[C@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279347395 511053042 /nfs/dbraw/zinc/05/30/42/511053042.db2.gz IWLGTYBBVJLATA-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCCCCO)c1Cl ZINC000295175124 511309476 /nfs/dbraw/zinc/30/94/76/511309476.db2.gz OYNYSFYSCKGSFB-UHFFFAOYSA-N -1 1 371.242 2.733 20 5 FFBDMM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000292679868 511683432 /nfs/dbraw/zinc/68/34/32/511683432.db2.gz BUYOBMQZOAFBQE-UHFFFAOYSA-N -1 1 373.818 2.894 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000323960240 511833048 /nfs/dbraw/zinc/83/30/48/511833048.db2.gz GJMCVJAODPMCOT-UHFFFAOYSA-N -1 1 356.381 2.718 20 5 FFBDMM CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cs1 ZINC000440310934 513290952 /nfs/dbraw/zinc/29/09/52/513290952.db2.gz ZHWNTUFVYRIWFL-SECBINFHSA-N -1 1 366.399 2.522 20 5 FFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Cl)cc1 ZINC000440487344 513332800 /nfs/dbraw/zinc/33/28/00/513332800.db2.gz PNSLRRLWCSEHGG-SECBINFHSA-N -1 1 351.746 2.546 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425296389 513495224 /nfs/dbraw/zinc/49/52/24/513495224.db2.gz GTXLGTBTAKANDV-KGLIPLIRSA-N -1 1 374.397 2.658 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C3CC3)cc2)c([N+](=O)[O-])n1 ZINC000416659495 513893907 /nfs/dbraw/zinc/89/39/07/513893907.db2.gz HGADOBPPWPFQKT-LLVKDONJSA-N -1 1 364.427 2.728 20 5 FFBDMM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1 ZINC000451968233 514101475 /nfs/dbraw/zinc/10/14/75/514101475.db2.gz SUEOAQSVEACONY-HAQNSBGRSA-N -1 1 368.436 2.889 20 5 FFBDMM Cc1ccc(F)c(-c2cc(=NC(=O)COc3ccccc3[N+](=O)[O-])[nH][n-]2)c1 ZINC000444801895 514337507 /nfs/dbraw/zinc/33/75/07/514337507.db2.gz CUEOLCJGNPNUFP-UHFFFAOYSA-N -1 1 370.340 2.872 20 5 FFBDMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445007179 514386992 /nfs/dbraw/zinc/38/69/92/514386992.db2.gz FPMFEEYNBBHFTA-UHFFFAOYSA-N -1 1 373.365 2.581 20 5 FFBDMM COC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000452740965 514479748 /nfs/dbraw/zinc/47/97/48/514479748.db2.gz DHUKIQCOBFZONY-LBPRGKRZSA-N -1 1 365.773 2.509 20 5 FFBDMM O=C(NCc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000484298899 514623173 /nfs/dbraw/zinc/62/31/73/514623173.db2.gz VYTZQTCXNPDIGN-UHFFFAOYSA-N -1 1 356.382 2.616 20 5 FFBDMM CC(=O)c1cnccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000485683381 515139207 /nfs/dbraw/zinc/13/92/07/515139207.db2.gz IMPDWTGXRPPAHR-UHFFFAOYSA-N -1 1 370.184 2.691 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000499287393 515271011 /nfs/dbraw/zinc/27/10/11/515271011.db2.gz SUCWWNVJUJQGBB-UHFFFAOYSA-N -1 1 362.407 2.904 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000481967822 515531873 /nfs/dbraw/zinc/53/18/73/515531873.db2.gz YLDYSTHBAZKEOO-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1C(=O)N1CCSCC1 ZINC000500232002 515637381 /nfs/dbraw/zinc/63/73/81/515637381.db2.gz DFTGDSHAKLOMNJ-UHFFFAOYSA-N -1 1 374.422 2.673 20 5 FFBDMM COc1c(Cl)cccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000511696551 516005789 /nfs/dbraw/zinc/00/57/89/516005789.db2.gz CATRMUIAPNKMMR-UHFFFAOYSA-N -1 1 358.759 2.763 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cccc1[N+](=O)[O-] ZINC000535655460 516436676 /nfs/dbraw/zinc/43/66/76/516436676.db2.gz QMFIYTQHALYGEV-UHFFFAOYSA-N -1 1 359.363 2.546 20 5 FFBDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000548204185 516825398 /nfs/dbraw/zinc/82/53/98/516825398.db2.gz QNXMGBKJPSOODC-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000541309838 516979720 /nfs/dbraw/zinc/97/97/20/516979720.db2.gz HXPIJIDFKDWMHK-SECBINFHSA-N -1 1 350.849 2.812 20 5 FFBDMM O=C1CCCN1Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000546280112 517626178 /nfs/dbraw/zinc/62/61/78/517626178.db2.gz ZVSUVFCSTDCYDG-UHFFFAOYSA-N -1 1 353.338 2.762 20 5 FFBDMM Cc1ccc(-n2cc([N-]c3nccc(C(N)=O)c3[N+](=O)[O-])cn2)c(C)c1 ZINC000564582660 518513572 /nfs/dbraw/zinc/51/35/72/518513572.db2.gz HUWODNBAAXLXIR-UHFFFAOYSA-N -1 1 352.354 2.635 20 5 FFBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1[O-] ZINC000588096309 518722994 /nfs/dbraw/zinc/72/29/94/518722994.db2.gz XWOXCKRLGYYCLS-UHFFFAOYSA-N -1 1 365.729 2.575 20 5 FFBDMM COc1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000565100680 518786384 /nfs/dbraw/zinc/78/63/84/518786384.db2.gz ADNHEMHNGJKPRB-MRXNPFEDSA-N -1 1 374.340 2.892 20 5 FFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H](C)C(=O)[O-])cc1OC ZINC000565105875 518788988 /nfs/dbraw/zinc/78/89/88/518788988.db2.gz UPKFJVXYMNJUKS-RYUDHWBXSA-N -1 1 354.403 2.933 20 5 FFBDMM Cc1ccc([C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])N2CCCC2)o1 ZINC000582847631 518951789 /nfs/dbraw/zinc/95/17/89/518951789.db2.gz ZLGPHUBDZCVCIT-CYBMUJFWSA-N -1 1 360.370 2.838 20 5 FFBDMM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000577425988 519073700 /nfs/dbraw/zinc/07/37/00/519073700.db2.gz OATHMZXZBIRSCR-UHFFFAOYSA-N -1 1 368.436 2.675 20 5 FFBDMM COc1ccccc1[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000568633817 519140550 /nfs/dbraw/zinc/14/05/50/519140550.db2.gz MLNBQMVHUMAJHS-QGZVFWFLSA-N -1 1 373.409 2.945 20 5 FFBDMM COCCCCS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000583353671 519201983 /nfs/dbraw/zinc/20/19/83/519201983.db2.gz CCTBOXNTKKIQAN-UHFFFAOYSA-N -1 1 367.221 2.526 20 5 FFBDMM Cc1cc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580556183 519238398 /nfs/dbraw/zinc/23/83/98/519238398.db2.gz GOXXQWWUMNMWAB-CHWSQXEVSA-N -1 1 365.430 2.901 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)c(C)cc2c1 ZINC000590597491 519281901 /nfs/dbraw/zinc/28/19/01/519281901.db2.gz GNFRGNYRLPBZIR-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000583643641 519357783 /nfs/dbraw/zinc/35/77/83/519357783.db2.gz RZANKPKRUSYZLP-NSHDSACASA-N -1 1 370.394 2.890 20 5 FFBDMM Cc1nn(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000609044006 520182195 /nfs/dbraw/zinc/18/21/95/520182195.db2.gz PWQUHIZLIVGWHY-UHFFFAOYSA-N -1 1 370.369 2.533 20 5 FFBDMM O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603601235 520322493 /nfs/dbraw/zinc/32/24/93/520322493.db2.gz IQAUEAKMBRSABX-UHFFFAOYSA-N -1 1 354.322 2.708 20 5 FFBDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000604478088 520572146 /nfs/dbraw/zinc/57/21/46/520572146.db2.gz UHWAEPGVHSLGKD-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604521822 520587802 /nfs/dbraw/zinc/58/78/02/520587802.db2.gz AAGMIVVUYVMVHH-RHSMWYFYSA-N -1 1 371.393 2.935 20 5 FFBDMM CC(C)(C)OC(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000614373949 520929590 /nfs/dbraw/zinc/92/95/90/520929590.db2.gz ITJARAGZVPCEKC-UHFFFAOYSA-N -1 1 373.365 2.581 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000614417210 520951259 /nfs/dbraw/zinc/95/12/59/520951259.db2.gz NSMOMTLMERKMIF-UHFFFAOYSA-N -1 1 368.396 2.597 20 5 FFBDMM O=C(Nc1nc(C2CCC2)n[nH]1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599765938 521456344 /nfs/dbraw/zinc/45/63/44/521456344.db2.gz MLYWZZSGLPGCOE-UHFFFAOYSA-N -1 1 366.175 2.995 20 5 FFBDMM O=C([O-])N1CCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740522028 602877590 /nfs/dbraw/zinc/87/75/90/602877590.db2.gz XQYSLQJNTRQZIX-AWEZNQCLSA-N -1 1 362.411 2.950 20 5 FFBDMM O=C([O-])N[C@@H]1CCC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000834179273 605447263 /nfs/dbraw/zinc/44/72/63/605447263.db2.gz GYZYTNAZWIWGEQ-WCFLWFBJSA-N -1 1 360.370 2.604 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1ccccc1C ZINC000820908509 606716689 /nfs/dbraw/zinc/71/66/89/606716689.db2.gz MUVIMVSSABOEML-LBPRGKRZSA-N -1 1 369.385 2.748 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1C ZINC000820908509 606716691 /nfs/dbraw/zinc/71/66/91/606716691.db2.gz MUVIMVSSABOEML-LBPRGKRZSA-N -1 1 369.385 2.748 20 5 FFBDMM CCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OCC ZINC000821421603 607162747 /nfs/dbraw/zinc/16/27/47/607162747.db2.gz AIAJDZUBICVCDP-UHFFFAOYSA-N -1 1 371.357 2.711 20 5 FFBDMM CCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OCC ZINC000821421603 607162748 /nfs/dbraw/zinc/16/27/48/607162748.db2.gz AIAJDZUBICVCDP-UHFFFAOYSA-N -1 1 371.357 2.711 20 5 FFBDMM COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101572245 728486663 /nfs/dbraw/zinc/48/66/63/728486663.db2.gz FEWAFVGBJLKYBB-UHFFFAOYSA-N -1 1 370.814 2.778 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000108874944 728522758 /nfs/dbraw/zinc/52/27/58/728522758.db2.gz JFKBCHRMYHEZPD-LLVKDONJSA-N -1 1 366.370 2.579 20 5 FFBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119600796 728596918 /nfs/dbraw/zinc/59/69/18/728596918.db2.gz KFETVEFEGZUQFR-UHFFFAOYSA-N -1 1 356.425 2.924 20 5 FFBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119932758 728602762 /nfs/dbraw/zinc/60/27/62/728602762.db2.gz QKUJQULUCPHTMN-SECBINFHSA-N -1 1 371.396 2.912 20 5 FFBDMM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119987028 728603769 /nfs/dbraw/zinc/60/37/69/728603769.db2.gz MESDPXSIHXINJQ-LBPRGKRZSA-N -1 1 354.409 2.631 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccccc1F ZINC000173732982 729053002 /nfs/dbraw/zinc/05/30/02/729053002.db2.gz ARVNBPUEVUYSHD-SNVBAGLBSA-N -1 1 372.349 2.619 20 5 FFBDMM CC(C)c1cnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000747813823 735593287 /nfs/dbraw/zinc/59/32/87/735593287.db2.gz LKCFRFONUNDSPN-UHFFFAOYSA-N -1 1 362.411 2.500 20 5 FFBDMM C[C@@H](NCc1cn(C)nc1Br)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903187549 736050881 /nfs/dbraw/zinc/05/08/81/736050881.db2.gz FDMBPLRBUSVZKE-MRVPVSSYSA-N -1 1 355.192 2.647 20 5 FFBDMM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1F ZINC000769889250 737579010 /nfs/dbraw/zinc/57/90/10/737579010.db2.gz GJMGKEMIQUDFTA-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790644571 739479950 /nfs/dbraw/zinc/47/99/50/739479950.db2.gz AGKYLVGDUAWIRE-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000794607199 739910406 /nfs/dbraw/zinc/91/04/06/739910406.db2.gz HZLUFGNQDDLIOE-UHFFFAOYSA-N -1 1 352.343 2.778 20 5 FFBDMM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000795563141 740037962 /nfs/dbraw/zinc/03/79/62/740037962.db2.gz OPESMNYWUFPIEP-UHFFFAOYSA-N -1 1 370.358 2.690 20 5 FFBDMM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000796007147 740089446 /nfs/dbraw/zinc/08/94/46/740089446.db2.gz QQRCUQJDEJZUEE-UHFFFAOYSA-N -1 1 369.830 2.863 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC000800930673 740568129 /nfs/dbraw/zinc/56/81/29/740568129.db2.gz PRWYSZRAIUZDKQ-UHFFFAOYSA-N -1 1 356.743 2.778 20 5 FFBDMM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809811600 741346588 /nfs/dbraw/zinc/34/65/88/741346588.db2.gz ODAVRMGSQFFMFY-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM COCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809814236 741346914 /nfs/dbraw/zinc/34/69/14/741346914.db2.gz DZWWMDOQSXNIRX-UHFFFAOYSA-N -1 1 357.215 2.605 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809817183 741347296 /nfs/dbraw/zinc/34/72/96/741347296.db2.gz VEYKPWRTBDSNKB-LBPRGKRZSA-N -1 1 369.226 2.607 20 5 FFBDMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831394 741350778 /nfs/dbraw/zinc/35/07/78/741350778.db2.gz FGKRKYFYKHWIHN-SGJFDWMWSA-N -1 1 369.226 2.507 20 5 FFBDMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834512 741351351 /nfs/dbraw/zinc/35/13/51/741351351.db2.gz APKNGEGEGVTJAO-BQBZGAKWSA-N -1 1 357.215 2.603 20 5 FFBDMM CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814974918 741877308 /nfs/dbraw/zinc/87/73/08/741877308.db2.gz KDGDJANWQMTWQC-UHFFFAOYSA-N -1 1 368.814 2.872 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000815044950 741890213 /nfs/dbraw/zinc/89/02/13/741890213.db2.gz LZRXIPBFIWKRBH-MRVPVSSYSA-N -1 1 368.839 2.809 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000830679685 745404602 /nfs/dbraw/zinc/40/46/02/745404602.db2.gz HNTJAMQXCQEAFI-SECBINFHSA-N -1 1 371.242 2.851 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000831809987 745587770 /nfs/dbraw/zinc/58/77/70/745587770.db2.gz GBYNPUIDQVOPCA-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000832494686 745708015 /nfs/dbraw/zinc/70/80/15/745708015.db2.gz SWMZKOHPPZPVNY-UHFFFAOYSA-N -1 1 373.818 2.976 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000841550510 747394205 /nfs/dbraw/zinc/39/42/05/747394205.db2.gz XZNPFFOMWIZSLG-UHFFFAOYSA-N -1 1 352.334 2.836 20 5 FFBDMM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000845988894 748375783 /nfs/dbraw/zinc/37/57/83/748375783.db2.gz BWYVEZOPXCZHSP-ZYHUDNBSSA-N -1 1 366.798 2.623 20 5 FFBDMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056088600 845348567 /nfs/dbraw/zinc/34/85/67/845348567.db2.gz HBOTVUNVLXRYPB-UHFFFAOYSA-N -1 1 371.758 2.635 20 5 FFBDMM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000067524285 845507463 /nfs/dbraw/zinc/50/74/63/845507463.db2.gz BHYVVKDVWJFBAV-UHFFFAOYSA-N -1 1 359.270 2.853 20 5 FFBDMM CC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820011125 945329009 /nfs/dbraw/zinc/32/90/09/945329009.db2.gz IEEWXYQPJAFPEX-UHFFFAOYSA-N -1 1 369.341 2.557 20 5 FFBDMM CC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820011125 945329014 /nfs/dbraw/zinc/32/90/14/945329014.db2.gz IEEWXYQPJAFPEX-UHFFFAOYSA-N -1 1 369.341 2.557 20 5 FFBDMM CN(CCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821603804 945739453 /nfs/dbraw/zinc/73/94/53/945739453.db2.gz PJILYNFNAKXKIR-UHFFFAOYSA-N -1 1 374.788 2.944 20 5 FFBDMM CCC(CC)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCOCC1 ZINC001595106664 979435109 /nfs/dbraw/zinc/43/51/09/979435109.db2.gz VTRAPJQBCJDJBB-QGZVFWFLSA-N -1 1 365.430 2.842 20 5 FFBDMM CCOC(=O)c1cnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC001128847678 989938507 /nfs/dbraw/zinc/93/85/07/989938507.db2.gz VMVAZJRHUBLLGH-UHFFFAOYSA-N -1 1 366.761 2.719 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001128847678 989938514 /nfs/dbraw/zinc/93/85/14/989938514.db2.gz VMVAZJRHUBLLGH-UHFFFAOYSA-N -1 1 366.761 2.719 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)cc1[N+](=O)[O-] ZINC000919960001 990770952 /nfs/dbraw/zinc/77/09/52/990770952.db2.gz KUMXGNOZGGZFJK-UHFFFAOYSA-N -1 1 374.378 2.595 20 5 FFBDMM CN(CCn1ccc([N+](=O)[O-])n1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598504193 992478867 /nfs/dbraw/zinc/47/88/67/992478867.db2.gz WBPORAGTOWCILM-ZDUSSCGKSA-N -1 1 373.196 2.856 20 5 FFBDMM C[C@](NCc1ccnn1CC1CCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593309792 994767268 /nfs/dbraw/zinc/76/72/68/994767268.db2.gz AUBAURNMODTRSL-GOSISDBHSA-N -1 1 358.398 2.681 20 5 FFBDMM COC(=O)c1n[nH]cc1[N-]c1nc(C)c(Br)c(C)c1[N+](=O)[O-] ZINC001169575142 1000059647 /nfs/dbraw/zinc/05/96/47/1000059647.db2.gz FBFIKFCSYZDRQC-UHFFFAOYSA-N -1 1 370.163 2.622 20 5 FFBDMM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770618831 1000864404 /nfs/dbraw/zinc/86/44/04/1000864404.db2.gz POJGQKBDXOWZFZ-ZDUSSCGKSA-N -1 1 355.350 2.872 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2nnc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 ZINC001147831419 1000983936 /nfs/dbraw/zinc/98/39/36/1000983936.db2.gz PWUVBFIMEXELGV-UHFFFAOYSA-N -1 1 364.383 2.783 20 5 FFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1C ZINC001192809632 1004284029 /nfs/dbraw/zinc/28/40/29/1004284029.db2.gz NGLZBJSZPVPFPW-UHFFFAOYSA-N -1 1 368.386 2.838 20 5 FFBDMM CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000882383591 1006372962 /nfs/dbraw/zinc/37/29/62/1006372962.db2.gz TUQZIFGRBXPYML-LLVKDONJSA-N -1 1 373.331 2.692 20 5 FFBDMM CC(C)Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000855706335 1007510145 /nfs/dbraw/zinc/51/01/45/1007510145.db2.gz DULAXTIKOQRQMF-UHFFFAOYSA-N -1 1 351.344 2.805 20 5 FFBDMM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[nH]1 ZINC001179075663 1009248435 /nfs/dbraw/zinc/24/84/35/1009248435.db2.gz FPIRJSRRCLQMKU-UHFFFAOYSA-N -1 1 352.734 2.789 20 5 FFBDMM O=C(OC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000801290043 1018808857 /nfs/dbraw/zinc/80/88/57/1018808857.db2.gz RNONYOMXEBKPRI-CYBMUJFWSA-N -1 1 370.361 2.620 20 5 FFBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000780075333 1019595555 /nfs/dbraw/zinc/59/55/55/1019595555.db2.gz NQCCZBFLJRNFHX-WBMJQRKESA-N -1 1 364.398 2.883 20 5 FFBDMM Cc1ccccc1Cc1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780077352 1019641834 /nfs/dbraw/zinc/64/18/34/1019641834.db2.gz XGOXUKFNMFBMTG-UHFFFAOYSA-N -1 1 369.333 2.940 20 5 FFBDMM O=C(NCCc1c(F)cc([O-])cc1F)NCc1cccc([N+](=O)[O-])c1 ZINC001222260591 1032855425 /nfs/dbraw/zinc/85/54/25/1032855425.db2.gz OUDGDINJTPVOHV-UHFFFAOYSA-N -1 1 351.309 2.621 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661776 1034355256 /nfs/dbraw/zinc/35/52/56/1034355256.db2.gz OYLGLMHKFTYPRX-SJKOYZFVSA-N -1 1 365.386 2.864 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCC(=O)c2ccccc21 ZINC001226309771 1034625038 /nfs/dbraw/zinc/62/50/38/1034625038.db2.gz JAOJKDPCDRQRPP-AWEZNQCLSA-N -1 1 372.333 2.969 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2[n-]c(=S)ncc2F)CC1 ZINC001227386947 1035527657 /nfs/dbraw/zinc/52/76/57/1035527657.db2.gz RLMGTRGZMSXGGL-UHFFFAOYSA-N -1 1 368.365 3.000 20 5 FFBDMM COC(=O)C1CC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229800970 1036906459 /nfs/dbraw/zinc/90/64/59/1036906459.db2.gz CLCFEPQEVYQRJT-UHFFFAOYSA-N -1 1 356.330 2.688 20 5 FFBDMM CC1=C(Oc2cc3c4ccc(O)cc4oc(=O)c3cc2[O-])C(=O)O[C@H]1C ZINC001229804192 1036909224 /nfs/dbraw/zinc/90/92/24/1036909224.db2.gz YESXDFKDZUHVRY-VIFPVBQESA-N -1 1 354.314 2.956 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3CCn4ccnc43)c12 ZINC001234120046 1036926287 /nfs/dbraw/zinc/92/62/87/1036926287.db2.gz RMYWYXNJNWVPEJ-LBPRGKRZSA-N -1 1 366.329 2.783 20 5 FFBDMM CC1=C[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC(=O)O1 ZINC001234743917 1037161956 /nfs/dbraw/zinc/16/19/56/1037161956.db2.gz HMPUBAWQKVRHRK-GFCCVEGCSA-N -1 1 354.314 2.956 20 5 FFBDMM CC1=C(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C(=O)O[C@H]1C ZINC001234741228 1037162438 /nfs/dbraw/zinc/16/24/38/1037162438.db2.gz HAURNJWRFSSWKI-VIFPVBQESA-N -1 1 354.314 2.956 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231199557 1037498638 /nfs/dbraw/zinc/49/86/38/1037498638.db2.gz DUSKBDAEBNEQKO-NSHDSACASA-N -1 1 355.354 2.730 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC001231261066 1037515582 /nfs/dbraw/zinc/51/55/82/1037515582.db2.gz XXRDTBVHEFOJOH-RHSMWYFYSA-N -1 1 373.409 2.672 20 5 FFBDMM Cc1cc(C)n(Cc2ccc(-c3nnc(-c4[n-]cnc4[N+](=O)[O-])o3)cc2)n1 ZINC001257977966 1039093592 /nfs/dbraw/zinc/09/35/92/1039093592.db2.gz OIIKWXGRNWSBSO-UHFFFAOYSA-N -1 1 365.353 2.897 20 5 FFBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]nc2Cl)c2ccccc21 ZINC001210902704 1039812305 /nfs/dbraw/zinc/81/23/05/1039812305.db2.gz LNQIIDZRGXCRLS-UHFFFAOYSA-N -1 1 353.743 2.892 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2C(F)(F)F)nc1 ZINC001213316198 1040441049 /nfs/dbraw/zinc/44/10/49/1040441049.db2.gz VGXGDJPWVZNFRR-UHFFFAOYSA-N -1 1 367.330 2.549 20 5 FFBDMM CN1CCN(c2cccc3[nH]c(-c4cc([O-])ccc4[N+](=O)[O-])nc32)CC1 ZINC001250854052 1041402952 /nfs/dbraw/zinc/40/29/52/1041402952.db2.gz MTRITKXWWZQCEW-UHFFFAOYSA-N -1 1 353.382 2.596 20 5 FFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OCC ZINC001309718171 1043494670 /nfs/dbraw/zinc/49/46/70/1043494670.db2.gz VRJAOWXDIMACCT-SECBINFHSA-N -1 1 368.814 2.871 20 5 FFBDMM O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001325065514 1046360577 /nfs/dbraw/zinc/36/05/77/1046360577.db2.gz OSYCYMYPYUNVDW-UHFFFAOYSA-N -1 1 370.361 2.893 20 5 FFBDMM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n[nH]1 ZINC001299813485 1050612419 /nfs/dbraw/zinc/61/24/19/1050612419.db2.gz MSZCWKCMGPTZRD-UHFFFAOYSA-N -1 1 350.306 2.665 20 5 FFBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)c(F)cc2F)c([N+](=O)[O-])c1 ZINC001456174541 1060036586 /nfs/dbraw/zinc/03/65/86/1060036586.db2.gz WIRIHQQDXLIGKC-UHFFFAOYSA-N -1 1 374.296 2.668 20 5 FFBDMM O=C([N-]c1nc2c(c(=O)[nH]1)CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001528617352 1061977813 /nfs/dbraw/zinc/97/78/13/1061977813.db2.gz NTOIWVNWKPJJFK-UHFFFAOYSA-N -1 1 364.308 2.700 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC001464061471 1062406995 /nfs/dbraw/zinc/40/69/95/1062406995.db2.gz JEERXKDKVQMXPT-VIFPVBQESA-N -1 1 373.793 2.864 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)cc1F ZINC001474982009 1065661904 /nfs/dbraw/zinc/66/19/04/1065661904.db2.gz VZOFTDQEBDHAGV-DZGCQCFKSA-N -1 1 364.398 2.952 20 5 FFBDMM COC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC1CCCC1 ZINC001579434729 1078629457 /nfs/dbraw/zinc/62/94/57/1078629457.db2.gz ZBEYKJSRKBVMAZ-LBPRGKRZSA-N -1 1 374.401 2.556 20 5 FFBDMM COC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC1CCCC1 ZINC001579434729 1078629463 /nfs/dbraw/zinc/62/94/63/1078629463.db2.gz ZBEYKJSRKBVMAZ-LBPRGKRZSA-N -1 1 374.401 2.556 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001583366686 1079200645 /nfs/dbraw/zinc/20/06/45/1079200645.db2.gz YDYOINAZSARBMV-UHFFFAOYSA-N -1 1 371.422 2.977 20 5 FFBDMM CCOc1ccc(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001558994502 1076110939 /nfs/dbraw/zinc/11/09/39/1076110939.db2.gz OQUOMKUUKSSIOC-GFCCVEGCSA-N -1 1 359.382 2.703 20 5 FFBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCC(C(=O)[O-])CC1 ZINC001574016007 1077872809 /nfs/dbraw/zinc/87/28/09/1077872809.db2.gz TZGKEGFKLIYSJO-UHFFFAOYSA-N -1 1 356.806 2.686 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001589758187 1080713030 /nfs/dbraw/zinc/71/30/30/1080713030.db2.gz UPKRAIHDIPUFGB-UHFFFAOYSA-N -1 1 374.332 2.675 20 5 FFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC001589877262 1080825061 /nfs/dbraw/zinc/82/50/61/1080825061.db2.gz WGCRYPOPUWHXAE-GFCCVEGCSA-N -1 1 365.397 2.638 20 5 FFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC001589877262 1080825069 /nfs/dbraw/zinc/82/50/69/1080825069.db2.gz WGCRYPOPUWHXAE-GFCCVEGCSA-N -1 1 365.397 2.638 20 5 FFBDMM C[C@]1(c2ccccc2)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590154023 1081056385 /nfs/dbraw/zinc/05/63/85/1081056385.db2.gz REHGNNIRRMZGGV-SFHVURJKSA-N -1 1 350.382 2.943 20 5 FFBDMM C[C@]1(c2ccccc2)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590154023 1081056391 /nfs/dbraw/zinc/05/63/91/1081056391.db2.gz REHGNNIRRMZGGV-SFHVURJKSA-N -1 1 350.382 2.943 20 5 FFBDMM C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590214360 1081096002 /nfs/dbraw/zinc/09/60/02/1081096002.db2.gz MHSQUQDUOAWLOJ-KOLCDFICSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590214360 1081096007 /nfs/dbraw/zinc/09/60/07/1081096007.db2.gz MHSQUQDUOAWLOJ-KOLCDFICSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290343248 257327186 /nfs/dbraw/zinc/32/71/86/257327186.db2.gz BTABYPLYVIZYMF-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000290815608 257359036 /nfs/dbraw/zinc/35/90/36/257359036.db2.gz SNXWRRTYJAPBNO-SFYZADRCSA-N -1 1 369.226 2.747 20 5 FFBDMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296153089 257677062 /nfs/dbraw/zinc/67/70/62/257677062.db2.gz KFNXSFMQUUKSPX-IONNQARKSA-N -1 1 369.226 2.605 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000006022744 506464877 /nfs/dbraw/zinc/46/48/77/506464877.db2.gz NJAPWSQUQXGKBX-UHFFFAOYSA-N -1 1 350.352 2.607 20 5 FFBDMM CC(C)n1c(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)n[n-]c1=S ZINC000067074315 506747900 /nfs/dbraw/zinc/74/79/00/506747900.db2.gz LDPIJSGEMAWZKU-UHFFFAOYSA-N -1 1 374.426 2.884 20 5 FFBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1[O-] ZINC000108377299 507891091 /nfs/dbraw/zinc/89/10/91/507891091.db2.gz RYEVYJIJVWMQRM-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1[N+](=O)[O-] ZINC000124915191 508904853 /nfs/dbraw/zinc/90/48/53/508904853.db2.gz NQMXPEXVWPVETK-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000176000504 509265544 /nfs/dbraw/zinc/26/55/44/509265544.db2.gz LWKJJLJXNWUOOD-UHFFFAOYSA-N -1 1 358.398 2.556 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1C ZINC000163208609 509351939 /nfs/dbraw/zinc/35/19/39/509351939.db2.gz UBYNDFKLGOPWLJ-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM O=C(C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000185822278 509372204 /nfs/dbraw/zinc/37/22/04/509372204.db2.gz JEEBKNVEKXHAGA-CQSZACIVSA-N -1 1 355.350 2.573 20 5 FFBDMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163477698 509379857 /nfs/dbraw/zinc/37/98/57/509379857.db2.gz UKNZHEYGLKSYNK-UHFFFAOYSA-N -1 1 364.361 2.636 20 5 FFBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000183405016 509768463 /nfs/dbraw/zinc/76/84/63/509768463.db2.gz CZNJQFVKOCWMON-UHFFFAOYSA-N -1 1 370.390 2.994 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000171041247 509904887 /nfs/dbraw/zinc/90/48/87/509904887.db2.gz MNORWHPOOKZOJR-DOMZBBRYSA-N -1 1 368.436 2.855 20 5 FFBDMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186935854 509960704 /nfs/dbraw/zinc/96/07/04/509960704.db2.gz HCTSMQZQQIPGSP-UHFFFAOYSA-N -1 1 359.235 2.783 20 5 FFBDMM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193784253 510068724 /nfs/dbraw/zinc/06/87/24/510068724.db2.gz PGTSXSXVBIZYIU-MRXNPFEDSA-N -1 1 368.324 2.749 20 5 FFBDMM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194739233 510503348 /nfs/dbraw/zinc/50/33/48/510503348.db2.gz BTRGKSROJJIRKP-CQSZACIVSA-N -1 1 361.423 2.929 20 5 FFBDMM Cc1c(=O)[n-]c(SCCn2ccc([N+](=O)[O-])n2)nc1-c1ccccc1 ZINC000185050909 510655408 /nfs/dbraw/zinc/65/54/08/510655408.db2.gz CHXLLULDGJDYEI-UHFFFAOYSA-N -1 1 357.395 2.642 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295098520 511281255 /nfs/dbraw/zinc/28/12/55/511281255.db2.gz GCIIAOOJGCFGQH-JGVFFNPUSA-N -1 1 369.226 2.747 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC000295185669 511313237 /nfs/dbraw/zinc/31/32/37/511313237.db2.gz ISFCDAPXZXGRQS-JGVFFNPUSA-N -1 1 369.226 2.605 20 5 FFBDMM COCC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000292740393 511703705 /nfs/dbraw/zinc/70/37/05/511703705.db2.gz HHHYXEMDKRMEQQ-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM CC(C)Oc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000411298689 512569179 /nfs/dbraw/zinc/56/91/79/512569179.db2.gz ZLUSQUAQNPXNTJ-UHFFFAOYSA-N -1 1 359.264 2.771 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000374172327 512691314 /nfs/dbraw/zinc/69/13/14/512691314.db2.gz NAGMQVZVMOKZPU-UHFFFAOYSA-N -1 1 370.340 2.904 20 5 FFBDMM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000374486397 512855567 /nfs/dbraw/zinc/85/55/67/512855567.db2.gz WDDIRBCHGPSAJD-KRWDZBQOSA-N -1 1 363.320 2.854 20 5 FFBDMM COc1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)cc(Cl)c1[O-] ZINC000443210347 513902123 /nfs/dbraw/zinc/90/21/23/513902123.db2.gz AWKGRLLVHRRALR-UHFFFAOYSA-N -1 1 362.729 2.998 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000436718092 513955656 /nfs/dbraw/zinc/95/56/56/513955656.db2.gz DECDVTVCDQETHV-UHFFFAOYSA-N -1 1 366.276 2.546 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000451800710 513989086 /nfs/dbraw/zinc/98/90/86/513989086.db2.gz JQDBIVVYPNXPCV-NSHDSACASA-N -1 1 374.846 2.876 20 5 FFBDMM O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444982414 514381560 /nfs/dbraw/zinc/38/15/60/514381560.db2.gz SRGIWCQFMLDUSL-GOEBONIOSA-N -1 1 357.366 2.563 20 5 FFBDMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003999 514385662 /nfs/dbraw/zinc/38/56/62/514385662.db2.gz DLXWXWNSGMTROZ-KCJUWKMLSA-N -1 1 351.721 2.774 20 5 FFBDMM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000466890842 514816477 /nfs/dbraw/zinc/81/64/77/514816477.db2.gz FNTFGEADRCMLSF-BXUZGUMPSA-N -1 1 362.835 2.730 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)s1 ZINC000480895119 515128714 /nfs/dbraw/zinc/12/87/14/515128714.db2.gz HITVVFLXDHAAOH-LLVKDONJSA-N -1 1 360.457 2.817 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000503864636 515157607 /nfs/dbraw/zinc/15/76/07/515157607.db2.gz UOBHQEPXKNCESR-NSHDSACASA-N -1 1 374.802 2.897 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2nc(CNC3(c4nn[n-]n4)CCCC3)cs2)c1 ZINC000499217973 515241281 /nfs/dbraw/zinc/24/12/81/515241281.db2.gz WPTMYALQDSKFTL-UHFFFAOYSA-N -1 1 371.426 2.791 20 5 FFBDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000499717924 515424521 /nfs/dbraw/zinc/42/45/21/515424521.db2.gz IOULPLZSKVMOAI-WPRPVWTQSA-N -1 1 363.233 2.824 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000469109700 515674477 /nfs/dbraw/zinc/67/44/77/515674477.db2.gz ZKENXVYFSKARKZ-NSHDSACASA-N -1 1 363.317 2.762 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC000474433657 516044229 /nfs/dbraw/zinc/04/42/29/516044229.db2.gz OWMBRSYLYXXVGL-UHFFFAOYSA-N -1 1 352.416 2.880 20 5 FFBDMM COc1cc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000543683289 516364577 /nfs/dbraw/zinc/36/45/77/516364577.db2.gz HSNPDHFARBKHKT-LLVKDONJSA-N -1 1 370.349 2.859 20 5 FFBDMM CC[C@H](c1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1)c1ccccc1 ZINC000554857084 516665996 /nfs/dbraw/zinc/66/59/96/516665996.db2.gz GRWLSDHRFCSKHG-JTQLQIEISA-N -1 1 358.383 2.964 20 5 FFBDMM CCOc1cc([N-]C(=O)c2coc(COC)n2)c([N+](=O)[O-])cc1OCC ZINC000548520638 517031530 /nfs/dbraw/zinc/03/15/30/517031530.db2.gz GVCSNVZCQUNTJZ-UHFFFAOYSA-N -1 1 365.342 2.779 20 5 FFBDMM C[C@H]1C[C@@]1([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548842339 517248756 /nfs/dbraw/zinc/24/87/56/517248756.db2.gz QRAOQWZNYXNEPY-BONVTDFDSA-N -1 1 367.814 2.857 20 5 FFBDMM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000546734110 517825743 /nfs/dbraw/zinc/82/57/43/517825743.db2.gz MANBVRMQAMEFGG-GFCCVEGCSA-N -1 1 367.452 2.757 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000522440322 518107209 /nfs/dbraw/zinc/10/72/09/518107209.db2.gz IZUWPZNANONXML-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM COc1ccc(OCCS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000539856302 518172453 /nfs/dbraw/zinc/17/24/53/518172453.db2.gz WLNHMLFBOGXCPH-UHFFFAOYSA-N -1 1 366.395 2.733 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000574892952 519388810 /nfs/dbraw/zinc/38/88/10/519388810.db2.gz OMAWKKIEMXYDSJ-HUUCEWRRSA-N -1 1 361.423 2.995 20 5 FFBDMM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000583830401 519455570 /nfs/dbraw/zinc/45/55/70/519455570.db2.gz XYGIRCPTEURIBV-LBPRGKRZSA-N -1 1 370.452 2.930 20 5 FFBDMM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594480534 519988981 /nfs/dbraw/zinc/98/89/81/519988981.db2.gz TWMKEMOMMHTGJB-MGCOHNPYSA-N -1 1 362.835 2.873 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594489298 519998129 /nfs/dbraw/zinc/99/81/29/519998129.db2.gz YGZMCMXQYDZJHR-DGCLKSJQSA-N -1 1 362.835 2.874 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594489297 519998239 /nfs/dbraw/zinc/99/82/39/519998239.db2.gz YGZMCMXQYDZJHR-AAEUAGOBSA-N -1 1 362.835 2.874 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000594803052 520165552 /nfs/dbraw/zinc/16/55/52/520165552.db2.gz KWRMPXBVUBZQRI-UFBFGSQYSA-N -1 1 361.217 2.578 20 5 FFBDMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000609481584 520326202 /nfs/dbraw/zinc/32/62/02/520326202.db2.gz WEXBQBPGPFNEHE-UHFFFAOYSA-N -1 1 374.300 2.840 20 5 FFBDMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000603977498 520421530 /nfs/dbraw/zinc/42/15/30/520421530.db2.gz BDZUNFLNDODGQE-UHFFFAOYSA-N -1 1 352.368 2.551 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000604433652 520561701 /nfs/dbraw/zinc/56/17/01/520561701.db2.gz UXAIQBKNQRVPSJ-UHFFFAOYSA-N -1 1 351.167 2.973 20 5 FFBDMM COc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000610896995 520897928 /nfs/dbraw/zinc/89/79/28/520897928.db2.gz PTMFBXKDEISFOZ-JTQLQIEISA-N -1 1 374.340 2.892 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCC(C)C)c([N+](=O)[O-])n1 ZINC000611105510 520986305 /nfs/dbraw/zinc/98/63/05/520986305.db2.gz ZWWSNRRNHYCVLE-OLZOCXBDSA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000599251639 521109106 /nfs/dbraw/zinc/10/91/06/521109106.db2.gz KETROPBQGQDASB-CQSZACIVSA-N -1 1 366.443 2.702 20 5 FFBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593747781 521189659 /nfs/dbraw/zinc/18/96/59/521189659.db2.gz CEAZYDJHIDZANP-MWLCHTKSSA-N -1 1 374.340 2.747 20 5 FFBDMM COc1cc(CN2CCC(CCC(=O)[O-])CC2)c([N+](=O)[O-])cc1OC ZINC000596654454 521192433 /nfs/dbraw/zinc/19/24/33/521192433.db2.gz QJRSOTIRLNHSHZ-UHFFFAOYSA-N -1 1 352.387 2.689 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(Cl)cc21 ZINC000599520963 521274511 /nfs/dbraw/zinc/27/45/11/521274511.db2.gz BUOPJTSTJDITNX-CYBMUJFWSA-N -1 1 367.814 2.999 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000619868371 521911713 /nfs/dbraw/zinc/91/17/13/521911713.db2.gz YLYINSWZZQBORR-GFCCVEGCSA-N -1 1 360.370 2.628 20 5 FFBDMM COc1ccc(CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000821794270 607344964 /nfs/dbraw/zinc/34/49/64/607344964.db2.gz FEGRNWGSUGFUFU-UHFFFAOYSA-N -1 1 366.381 2.953 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826498669 607451155 /nfs/dbraw/zinc/45/11/55/607451155.db2.gz FBCUZZROCXFLRX-AWEZNQCLSA-N -1 1 350.382 2.986 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826498669 607451156 /nfs/dbraw/zinc/45/11/56/607451156.db2.gz FBCUZZROCXFLRX-AWEZNQCLSA-N -1 1 350.382 2.986 20 5 FFBDMM Cc1cc([C@@H](C)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C(=O)[O-] ZINC000832871146 604384618 /nfs/dbraw/zinc/38/46/18/604384618.db2.gz OXZCBPIUNWPQFY-NEPJUHHUSA-N -1 1 360.370 2.837 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C2CCCCC2)CC1 ZINC000823620020 606700161 /nfs/dbraw/zinc/70/01/61/606700161.db2.gz GOVZBLJFGJOSOV-UHFFFAOYSA-N -1 1 357.418 2.967 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(C2CCCCC2)CC1 ZINC000823620020 606700162 /nfs/dbraw/zinc/70/01/62/606700162.db2.gz GOVZBLJFGJOSOV-UHFFFAOYSA-N -1 1 357.418 2.967 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OC(F)F)c(F)c1 ZINC000823625419 606700546 /nfs/dbraw/zinc/70/05/46/606700546.db2.gz UTKNSSLSBYSCSD-UHFFFAOYSA-N -1 1 367.247 2.654 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OC(F)F)c(F)c1 ZINC000823625419 606700547 /nfs/dbraw/zinc/70/05/47/606700547.db2.gz UTKNSSLSBYSCSD-UHFFFAOYSA-N -1 1 367.247 2.654 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1OCC1CC1 ZINC000823624778 606712741 /nfs/dbraw/zinc/71/27/41/606712741.db2.gz JDEAIJLBPSADAA-UHFFFAOYSA-N -1 1 367.369 2.571 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1OCC1CC1 ZINC000823624778 606712742 /nfs/dbraw/zinc/71/27/42/606712742.db2.gz JDEAIJLBPSADAA-UHFFFAOYSA-N -1 1 367.369 2.571 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000820908736 606716965 /nfs/dbraw/zinc/71/69/65/606716965.db2.gz PRNWKSZFIRAUCJ-GFCCVEGCSA-N -1 1 369.385 2.748 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000820908736 606716966 /nfs/dbraw/zinc/71/69/66/606716966.db2.gz PRNWKSZFIRAUCJ-GFCCVEGCSA-N -1 1 369.385 2.748 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820908529 606717812 /nfs/dbraw/zinc/71/78/12/606717812.db2.gz NEFAEVWEQFDMNI-NSHDSACASA-N -1 1 373.348 2.579 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820908529 606717814 /nfs/dbraw/zinc/71/78/14/606717814.db2.gz NEFAEVWEQFDMNI-NSHDSACASA-N -1 1 373.348 2.579 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000154237830 728799353 /nfs/dbraw/zinc/79/93/53/728799353.db2.gz JPDIGGXZQALAHD-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM COc1cccc(C2([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)c1 ZINC000127677296 728706991 /nfs/dbraw/zinc/70/69/91/728706991.db2.gz KEGVLOMUAPQSAJ-UHFFFAOYSA-N -1 1 366.370 2.710 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cc1[N+](=O)[O-] ZINC000178198497 729156708 /nfs/dbraw/zinc/15/67/08/729156708.db2.gz KVYZEAQNRASVCZ-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194351080 729508155 /nfs/dbraw/zinc/50/81/55/729508155.db2.gz NNXJGWKIGJTLJU-GFCCVEGCSA-N -1 1 352.387 2.952 20 5 FFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000859176022 730444274 /nfs/dbraw/zinc/44/42/74/730444274.db2.gz PMAZOUDGLCBJLV-UHFFFAOYSA-N -1 1 359.791 2.640 20 5 FFBDMM Cc1cc(F)c(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000780075107 738514336 /nfs/dbraw/zinc/51/43/36/738514336.db2.gz JCXZWTIXDAGQBX-UHFFFAOYSA-N -1 1 351.261 2.927 20 5 FFBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000784418581 738889876 /nfs/dbraw/zinc/88/98/76/738889876.db2.gz QWDAQHJFAXFBKL-MNOVXSKESA-N -1 1 362.835 2.732 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Cl)n1 ZINC000760325729 736629856 /nfs/dbraw/zinc/62/98/56/736629856.db2.gz RXYZZYGBSHYATH-UHFFFAOYSA-N -1 1 361.738 2.592 20 5 FFBDMM O=C([O-])/C=C\c1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)c([N+](=O)[O-])c1 ZINC000910387814 737067558 /nfs/dbraw/zinc/06/75/58/737067558.db2.gz ZKKXEFVSDFVHNQ-JZTMSUKMSA-N -1 1 363.439 2.684 20 5 FFBDMM COCc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000766584844 737244711 /nfs/dbraw/zinc/24/47/11/737244711.db2.gz MWCOWQXGUDEGLO-UHFFFAOYSA-N -1 1 352.368 2.551 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000772991101 737862268 /nfs/dbraw/zinc/86/22/68/737862268.db2.gz VHBJGEZYLHIDGL-UHFFFAOYSA-N -1 1 362.835 2.876 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000777590684 738303635 /nfs/dbraw/zinc/30/36/35/738303635.db2.gz IJWRWHYBEXFWLW-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccnc1-2 ZINC000798235145 740315300 /nfs/dbraw/zinc/31/53/00/740315300.db2.gz WNFNWAIVXKKHOA-UHFFFAOYSA-N -1 1 353.363 2.717 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000800166517 740495609 /nfs/dbraw/zinc/49/56/09/740495609.db2.gz RPONOPHFADHGFN-AWEZNQCLSA-N -1 1 374.846 2.876 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808342029 741216378 /nfs/dbraw/zinc/21/63/78/741216378.db2.gz ZEQLIQCPJDMSIH-YGRLFVJLSA-N -1 1 370.814 2.649 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809820824 741348347 /nfs/dbraw/zinc/34/83/47/741348347.db2.gz CXILSNZLLLPHSF-SNVBAGLBSA-N -1 1 371.242 2.851 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCS2)cc1Cl ZINC000809825608 741349566 /nfs/dbraw/zinc/34/95/66/741349566.db2.gz JQSMVZFOVAMRBB-SSDOTTSWSA-N -1 1 354.812 2.561 20 5 FFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1Cl ZINC000811832534 741565181 /nfs/dbraw/zinc/56/51/81/741565181.db2.gz UETCIZUKVSGIQS-UHFFFAOYSA-N -1 1 370.770 2.820 20 5 FFBDMM Cc1cnccc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026593 741885250 /nfs/dbraw/zinc/88/52/50/741885250.db2.gz HNHQYIXMYZWQNB-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000815072617 741895133 /nfs/dbraw/zinc/89/51/33/741895133.db2.gz PJQFNFSOPJZCGV-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM COc1ccccc1C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000827946869 745005608 /nfs/dbraw/zinc/00/56/08/745005608.db2.gz CGPSILWQECSOKD-UHFFFAOYSA-N -1 1 366.370 2.710 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c1Cl ZINC000831195335 745497071 /nfs/dbraw/zinc/49/70/71/745497071.db2.gz DNMQKXWUKBIPPW-QMMMGPOBSA-N -1 1 367.210 2.873 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c1Cl ZINC000831195334 745497198 /nfs/dbraw/zinc/49/71/98/745497198.db2.gz DNMQKXWUKBIPPW-MRVPVSSYSA-N -1 1 367.210 2.873 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c1Cl ZINC000831304947 745512532 /nfs/dbraw/zinc/51/25/32/745512532.db2.gz WVHJKEMYESSKEJ-PHBYFZBNSA-N -1 1 351.211 2.978 20 5 FFBDMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000831823473 745589929 /nfs/dbraw/zinc/58/99/29/745589929.db2.gz VWQQZXPTHXINCO-JOYOIKCWSA-N -1 1 350.824 2.588 20 5 FFBDMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832414066 745694257 /nfs/dbraw/zinc/69/42/57/745694257.db2.gz DQNZXDKTRZRHNQ-SECBINFHSA-N -1 1 358.807 2.504 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(CO)CCCC1 ZINC000841528974 747386058 /nfs/dbraw/zinc/38/60/58/747386058.db2.gz XJINTRHZHAFTMS-HNNXBMFYSA-N -1 1 374.434 2.590 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1SCCS1 ZINC000851845906 749701667 /nfs/dbraw/zinc/70/16/67/749701667.db2.gz YAZWMJNSQFULOH-UHFFFAOYSA-N -1 1 368.889 2.723 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc([N+](=O)[O-])c1F ZINC000132404996 845653015 /nfs/dbraw/zinc/65/30/15/845653015.db2.gz WOZURKBJPIKKKT-HSZRJFAPSA-N -1 1 372.399 2.581 20 5 FFBDMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001589604783 949230268 /nfs/dbraw/zinc/23/02/68/949230268.db2.gz HDJNHBPNUGDSPK-MRXNPFEDSA-N -1 1 369.805 2.764 20 5 FFBDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001594533381 986136443 /nfs/dbraw/zinc/13/64/43/986136443.db2.gz CAYYPHVMWAWPQU-HNNXBMFYSA-N -1 1 369.421 2.999 20 5 FFBDMM COC[C@H](C)OC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877732 987978668 /nfs/dbraw/zinc/97/86/68/987978668.db2.gz QNPLTHIBVBWGHN-IUCAKERBSA-N -1 1 364.192 2.882 20 5 FFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000804178320 990618117 /nfs/dbraw/zinc/61/81/17/990618117.db2.gz IUXGJZXAVDTLNM-UHFFFAOYSA-N -1 1 358.398 2.837 20 5 FFBDMM COc1cccc2c1CC[C@H]2NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599690447 991060443 /nfs/dbraw/zinc/06/04/43/991060443.db2.gz GAMRROXFKPJPCS-OAHLLOKOSA-N -1 1 372.377 2.844 20 5 FFBDMM COC(=O)c1cccc([C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001598994571 998767418 /nfs/dbraw/zinc/76/74/18/998767418.db2.gz HVFDGIWFOUJLBN-BDJLRTHQSA-N -1 1 358.350 2.858 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000769047408 1000414073 /nfs/dbraw/zinc/41/40/73/1000414073.db2.gz JEDUTCFYFZIPPD-NSHDSACASA-N -1 1 373.365 2.550 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnnn1C1CCCCC1 ZINC000787746804 1001715118 /nfs/dbraw/zinc/71/51/18/1001715118.db2.gz IYCDFQNRWNHFDF-JTQLQIEISA-N -1 1 361.358 2.710 20 5 FFBDMM CCOC(=O)c1cc(C(=O)[N-]c2nccc3c2cccc3[N+](=O)[O-])on1 ZINC001183835765 1002404866 /nfs/dbraw/zinc/40/48/66/1002404866.db2.gz LBAXUOOHTUHMCT-UHFFFAOYSA-N -1 1 356.294 2.560 20 5 FFBDMM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])s1 ZINC001193445647 1004480190 /nfs/dbraw/zinc/48/01/90/1004480190.db2.gz WSDFOOQGQVKOLU-QMMMGPOBSA-N -1 1 359.404 2.847 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC2(CCC2)O1 ZINC001194066817 1004643929 /nfs/dbraw/zinc/64/39/29/1004643929.db2.gz PHEPXDXOBWMNCI-LLVKDONJSA-N -1 1 360.819 2.628 20 5 FFBDMM Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000807692825 1004664052 /nfs/dbraw/zinc/66/40/52/1004664052.db2.gz DFECXJREJBBENL-QGZVFWFLSA-N -1 1 371.393 2.590 20 5 FFBDMM C[C@@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001188994838 1006835936 /nfs/dbraw/zinc/83/59/36/1006835936.db2.gz JWPANYOSDGAKMU-WBMJQRKESA-N -1 1 361.423 2.982 20 5 FFBDMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])s1 ZINC001189056749 1006875665 /nfs/dbraw/zinc/87/56/65/1006875665.db2.gz KFTNWHZTTDTHKZ-SECBINFHSA-N -1 1 373.431 2.889 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)cc1F ZINC001189146023 1006925126 /nfs/dbraw/zinc/92/51/26/1006925126.db2.gz KSKVDNLXDFKPPO-SNVBAGLBSA-N -1 1 354.359 2.787 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CSc2ccccc21 ZINC001190621785 1007707049 /nfs/dbraw/zinc/70/70/49/1007707049.db2.gz QEIFFMGMTRVOQA-JTQLQIEISA-N -1 1 368.411 2.902 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000861508417 1009444897 /nfs/dbraw/zinc/44/48/97/1009444897.db2.gz NZQKXOGSLPUWMP-LBPRGKRZSA-N -1 1 368.349 2.856 20 5 FFBDMM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780071275 1019484752 /nfs/dbraw/zinc/48/47/52/1019484752.db2.gz FSZRGTQKWYNXSU-NSHDSACASA-N -1 1 374.349 2.883 20 5 FFBDMM O=c1c2cc(O[C@@H]3CNCC(F)(F)C3)c([O-])cc2oc2cccc(O)c12 ZINC001218274554 1033080197 /nfs/dbraw/zinc/08/01/97/1033080197.db2.gz RFLFPRZWMDCNIL-VIFPVBQESA-N -1 1 363.316 2.733 20 5 FFBDMM Cc1cnc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c(Br)c1 ZINC001212893935 1027206727 /nfs/dbraw/zinc/20/67/27/1027206727.db2.gz GLFLEOSLXGWQLI-UHFFFAOYSA-N -1 1 351.120 2.501 20 5 FFBDMM COc1cccc([O-])c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001153757886 1027981788 /nfs/dbraw/zinc/98/17/88/1027981788.db2.gz MXOQDGUGHJKCPY-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccnc3c2ccc2cccnc23)n1 ZINC001155805510 1028921349 /nfs/dbraw/zinc/92/13/49/1028921349.db2.gz HNJNGBAEVUBAAN-UHFFFAOYSA-N -1 1 361.361 2.935 20 5 FFBDMM O=c1cc[n-]c(O[C@@H]2CCN(Cc3ccccc3)CC2(F)F)c1[N+](=O)[O-] ZINC001225663663 1034357492 /nfs/dbraw/zinc/35/74/92/1034357492.db2.gz FIUZJRAMXUKAIK-CQSZACIVSA-N -1 1 365.336 2.984 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184390 1034562000 /nfs/dbraw/zinc/56/20/00/1034562000.db2.gz DWTDPOMUEHKROU-LLVKDONJSA-N -1 1 355.354 2.730 20 5 FFBDMM CC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC001228141926 1035957874 /nfs/dbraw/zinc/95/78/74/1035957874.db2.gz XBUHFMPWOHDZFS-JTQLQIEISA-N -1 1 365.342 2.646 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCN(c3cc(Cl)ncn3)CC2)c1 ZINC001229398623 1036651866 /nfs/dbraw/zinc/65/18/66/1036651866.db2.gz WLGJRNUSXSNHKG-UHFFFAOYSA-N -1 1 350.762 2.792 20 5 FFBDMM CC1=C(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C(=O)O[C@@H]1C ZINC001234741224 1037162524 /nfs/dbraw/zinc/16/25/24/1037162524.db2.gz HAURNJWRFSSWKI-SECBINFHSA-N -1 1 354.314 2.956 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)n1 ZINC001231259216 1037514070 /nfs/dbraw/zinc/51/40/70/1037514070.db2.gz HLTUQMVAKFGIFL-NQBHXWOUSA-N -1 1 365.386 2.781 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)n1 ZINC001231261124 1037515902 /nfs/dbraw/zinc/51/59/02/1037515902.db2.gz YOBVWIUMGWJTHA-GHMZBOCLSA-N -1 1 353.375 2.781 20 5 FFBDMM COC(=O)c1ccc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210393652 1039519967 /nfs/dbraw/zinc/51/99/67/1039519967.db2.gz GDIKUBFIBJVDCL-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2ncnc3c2ncn3[C@H]2CCCCO2)ccc1[O-] ZINC001210395741 1039520265 /nfs/dbraw/zinc/52/02/65/1039520265.db2.gz FHAFLLKHFZATNO-CYBMUJFWSA-N -1 1 356.342 2.883 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C)c1noc(C)n1 ZINC001210593931 1039627036 /nfs/dbraw/zinc/62/70/36/1039627036.db2.gz RUIQTAXEMFKUSG-JTQLQIEISA-N -1 1 374.806 2.678 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOCC12CCCC2 ZINC001214064429 1041203465 /nfs/dbraw/zinc/20/34/65/1041203465.db2.gz IPNYZZLKHBPTAE-CYBMUJFWSA-N -1 1 374.846 2.876 20 5 FFBDMM COc1cnc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[n-]c1=O ZINC001304658157 1051665484 /nfs/dbraw/zinc/66/54/84/1051665484.db2.gz CBGYTRZRWKDLDF-ZDUSSCGKSA-N -1 1 372.381 2.693 20 5 FFBDMM CC(C)(C)OC(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306882347 1052211008 /nfs/dbraw/zinc/21/10/08/1052211008.db2.gz MMTCMXJAORSZJO-UHFFFAOYSA-N -1 1 373.365 2.581 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2nccs2)cc1F ZINC001309388736 1052610825 /nfs/dbraw/zinc/61/08/25/1052610825.db2.gz SOWYHDSZIWMIPE-VIFPVBQESA-N -1 1 359.404 2.581 20 5 FFBDMM O=C(C[C@H]1CCCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC001545446332 1071784664 /nfs/dbraw/zinc/78/46/64/1071784664.db2.gz JGWNNPVEWDNGBK-CYBMUJFWSA-N -1 1 373.365 2.946 20 5 FFBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001460820966 1061114083 /nfs/dbraw/zinc/11/40/83/1061114083.db2.gz ZKDYBABXJSRAIQ-UHFFFAOYSA-N -1 1 367.365 2.632 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001462735181 1061749446 /nfs/dbraw/zinc/74/94/46/1061749446.db2.gz XGBWHZOUYRHLQO-SECBINFHSA-N -1 1 359.338 2.654 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)cc1F ZINC001463396880 1062084456 /nfs/dbraw/zinc/08/44/56/1062084456.db2.gz CDSOYOFLUOPZIP-CHWSQXEVSA-N -1 1 374.434 2.914 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H](C)O1 ZINC001464259966 1062510731 /nfs/dbraw/zinc/51/07/31/1062510731.db2.gz NGQMWFCJUMKFDY-BRDIYROLSA-N -1 1 369.226 2.746 20 5 FFBDMM C[C@@](CO)(NC(=O)Cc1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001471122224 1064565780 /nfs/dbraw/zinc/56/57/80/1064565780.db2.gz CCBDSOAIHWXFRM-KRWDZBQOSA-N -1 1 364.785 2.520 20 5 FFBDMM CON(C[C@H]1CCCc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001471955894 1064866372 /nfs/dbraw/zinc/86/63/72/1064866372.db2.gz OXMXGKLDRILZCX-CYBMUJFWSA-N -1 1 357.366 2.819 20 5 FFBDMM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472560503 1065098374 /nfs/dbraw/zinc/09/83/74/1065098374.db2.gz HGVJJIYMDGPRED-UHFFFAOYSA-N -1 1 357.366 2.947 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCc1cccc2[nH]ccc21 ZINC001582805063 1079111663 /nfs/dbraw/zinc/11/16/63/1079111663.db2.gz XNKUMLIVCGWYSB-UHFFFAOYSA-N -1 1 355.383 2.972 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCc1cccc2[nH]ccc21 ZINC001582805063 1079111665 /nfs/dbraw/zinc/11/16/65/1079111665.db2.gz XNKUMLIVCGWYSB-UHFFFAOYSA-N -1 1 355.383 2.972 20 5 FFBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001584797463 1079390675 /nfs/dbraw/zinc/39/06/75/1079390675.db2.gz WXODOGVHLKYNLQ-UHFFFAOYSA-N -1 1 367.365 2.563 20 5 FFBDMM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(=O)c1ccc([O-])cc1 ZINC001557800213 1075893779 /nfs/dbraw/zinc/89/37/79/1075893779.db2.gz AVYWAUDUSMFDIF-UHFFFAOYSA-N -1 1 352.705 2.592 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc2ccccc2o1 ZINC001561607977 1076398361 /nfs/dbraw/zinc/39/83/61/1076398361.db2.gz ARXPHEBRWPUENS-UHFFFAOYSA-N -1 1 367.770 2.868 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001561796170 1076424501 /nfs/dbraw/zinc/42/45/01/1076424501.db2.gz DVMIZPFUKSDNAX-ZETCQYMHSA-N -1 1 369.380 2.543 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2cccnc21 ZINC001561985368 1076459922 /nfs/dbraw/zinc/45/99/22/1076459922.db2.gz SAUYQAOLVWPBQB-LBPRGKRZSA-N -1 1 367.814 2.999 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC001566260263 1076939628 /nfs/dbraw/zinc/93/96/28/1076939628.db2.gz ZYQNQVWOGZYMJK-ZIAGYGMSSA-N -1 1 361.398 2.840 20 5 FFBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001588770183 1080186751 /nfs/dbraw/zinc/18/67/51/1080186751.db2.gz ISIIVJNHCUFYSU-NTMALXAHSA-N -1 1 366.337 2.523 20 5 FFBDMM CC(C)(C)OC(=O)CCSc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589155307 1080387974 /nfs/dbraw/zinc/38/79/74/1080387974.db2.gz ARCAACWAURUKDF-UHFFFAOYSA-N -1 1 369.378 2.738 20 5 FFBDMM C[C@H](C[C@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801609 1080757953 /nfs/dbraw/zinc/75/79/53/1080757953.db2.gz OXIJDNNSDCLVCS-APPZFPTMSA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@H](C[C@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801609 1080757958 /nfs/dbraw/zinc/75/79/58/1080757958.db2.gz OXIJDNNSDCLVCS-APPZFPTMSA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@H](C[C@H](O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589801876 1080758293 /nfs/dbraw/zinc/75/82/93/1080758293.db2.gz CCRBDDALRPZWND-ABAIWWIYSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@H](C[C@H](O)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589801876 1080758300 /nfs/dbraw/zinc/75/83/00/1080758300.db2.gz CCRBDDALRPZWND-ABAIWWIYSA-N -1 1 354.370 2.699 20 5 FFBDMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001589980989 1080920152 /nfs/dbraw/zinc/92/01/52/1080920152.db2.gz SCSNEFSFJFDUEK-VIFPVBQESA-N -1 1 352.358 2.615 20 5 FFBDMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001589980989 1080920155 /nfs/dbraw/zinc/92/01/55/1080920155.db2.gz SCSNEFSFJFDUEK-VIFPVBQESA-N -1 1 352.358 2.615 20 5 FFBDMM CC1(C)CCC(O)(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590090763 1081002871 /nfs/dbraw/zinc/00/28/71/1081002871.db2.gz RJCNSSAPQSGTBN-UHFFFAOYSA-N -1 1 352.420 2.580 20 5 FFBDMM CC1(C)CCC(O)(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590090763 1081002877 /nfs/dbraw/zinc/00/28/77/1081002877.db2.gz RJCNSSAPQSGTBN-UHFFFAOYSA-N -1 1 352.420 2.580 20 5 FFBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000273121965 252222900 /nfs/dbraw/zinc/22/29/00/252222900.db2.gz RNJAEGXLENMKRI-UHFFFAOYSA-N -1 1 362.289 2.864 20 5 FFBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)c1OC ZINC000277222343 256174175 /nfs/dbraw/zinc/17/41/75/256174175.db2.gz HXVWZMAGMHVMEO-OAHLLOKOSA-N -1 1 360.366 2.918 20 5 FFBDMM COc1cccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000373106396 512174443 /nfs/dbraw/zinc/17/44/43/512174443.db2.gz IRDOEIPPLORYTF-UHFFFAOYSA-N -1 1 355.350 2.634 20 5 FFBDMM O=C(Cn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)NC1CCCC1 ZINC000057854678 507341891 /nfs/dbraw/zinc/34/18/91/507341891.db2.gz JCTUOLCVWKMSSV-UHFFFAOYSA-N -1 1 374.357 2.502 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000115313350 508383601 /nfs/dbraw/zinc/38/36/01/508383601.db2.gz AXPLPYZEOHZRKZ-QHCPKHFHSA-N -1 1 368.436 2.583 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccccc1F ZINC000119507178 508810071 /nfs/dbraw/zinc/81/00/71/508810071.db2.gz KNDBNXRYNKNJDG-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000131251146 508906024 /nfs/dbraw/zinc/90/60/24/508906024.db2.gz DKQGRWOUMNHMPW-AWEZNQCLSA-N -1 1 363.757 2.563 20 5 FFBDMM COc1ccc(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000133408240 509156379 /nfs/dbraw/zinc/15/63/79/509156379.db2.gz NWMCGUNHBLNKPG-UHFFFAOYSA-N -1 1 350.396 2.896 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(C2CCCCC2)no1 ZINC000175858833 509183525 /nfs/dbraw/zinc/18/35/25/509183525.db2.gz UHIFESRHVQGMDR-SECBINFHSA-N -1 1 361.358 2.617 20 5 FFBDMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185833162 509377539 /nfs/dbraw/zinc/37/75/39/509377539.db2.gz QPTARADDBSEPGG-SECBINFHSA-N -1 1 358.379 2.666 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000164464144 509504462 /nfs/dbraw/zinc/50/44/62/509504462.db2.gz RFEZFFRODNEWPJ-HNNXBMFYSA-N -1 1 359.382 2.769 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)s1 ZINC000179982859 509700498 /nfs/dbraw/zinc/70/04/98/509700498.db2.gz LFOMBNGQOODREW-NSHDSACASA-N -1 1 372.399 2.988 20 5 FFBDMM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000237757363 509728327 /nfs/dbraw/zinc/72/83/27/509728327.db2.gz IBKKIZWOLDDZHX-BMIGLBTASA-N -1 1 368.349 2.663 20 5 FFBDMM O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183578016 509869835 /nfs/dbraw/zinc/86/98/35/509869835.db2.gz XJZXHWQREAFEPU-UHFFFAOYSA-N -1 1 371.393 2.509 20 5 FFBDMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000187122902 510071532 /nfs/dbraw/zinc/07/15/32/510071532.db2.gz FPFGOBGVGINMPH-VIFPVBQESA-N -1 1 350.400 2.856 20 5 FFBDMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000265481951 510078471 /nfs/dbraw/zinc/07/84/71/510078471.db2.gz FLUZLPPENMBEPJ-UHFFFAOYSA-N -1 1 366.395 2.545 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000187203661 510121495 /nfs/dbraw/zinc/12/14/95/510121495.db2.gz VIFOWLOFHMYTFI-OAHLLOKOSA-N -1 1 357.366 2.517 20 5 FFBDMM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194032445 510184833 /nfs/dbraw/zinc/18/48/33/510184833.db2.gz CMJVCFSZYFQSPL-LLVKDONJSA-N -1 1 355.272 2.771 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000184704744 510473623 /nfs/dbraw/zinc/47/36/23/510473623.db2.gz HUGUDCSOFMWICK-ZDUSSCGKSA-N -1 1 366.381 2.982 20 5 FFBDMM Cc1ccc(Br)cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191072176 510491519 /nfs/dbraw/zinc/49/15/19/510491519.db2.gz XBGKAUSHEJDDDO-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000182057031 510733598 /nfs/dbraw/zinc/73/35/98/510733598.db2.gz MSJZJFONWSBLIM-UHFFFAOYSA-N -1 1 371.393 2.509 20 5 FFBDMM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc2c1 ZINC000188481533 510788721 /nfs/dbraw/zinc/78/87/21/510788721.db2.gz NWLGSQMHOCWEKD-AWEZNQCLSA-N -1 1 367.365 2.857 20 5 FFBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000188481533 510788728 /nfs/dbraw/zinc/78/87/28/510788728.db2.gz NWLGSQMHOCWEKD-AWEZNQCLSA-N -1 1 367.365 2.857 20 5 FFBDMM Cc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1Br ZINC000191729407 510805047 /nfs/dbraw/zinc/80/50/47/510805047.db2.gz BCIJKWHFCLMYPX-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM Cc1sc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc1[N+](=O)[O-] ZINC000294143525 510970421 /nfs/dbraw/zinc/97/04/21/510970421.db2.gz LHCLXWVGPMXUQV-UHFFFAOYSA-N -1 1 354.413 2.963 20 5 FFBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295441044 511406666 /nfs/dbraw/zinc/40/66/66/511406666.db2.gz YJEQWPXFLAVKGF-UHFFFAOYSA-N -1 1 371.242 2.589 20 5 FFBDMM COCc1ncsc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000284050060 511587764 /nfs/dbraw/zinc/58/77/64/511587764.db2.gz XVBJLSONMPCQEU-UHFFFAOYSA-N -1 1 365.367 2.611 20 5 FFBDMM O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302984611 511721284 /nfs/dbraw/zinc/72/12/84/511721284.db2.gz VYZPPUXBEFZVDQ-UHFFFAOYSA-N -1 1 359.235 2.783 20 5 FFBDMM O=C([N-]CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281429398 511845004 /nfs/dbraw/zinc/84/50/04/511845004.db2.gz ZMQNAXSJNGGXTM-UHFFFAOYSA-N -1 1 351.350 2.547 20 5 FFBDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000327761285 511880425 /nfs/dbraw/zinc/88/04/25/511880425.db2.gz PIVQDOXDUHRACN-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000297232356 512070137 /nfs/dbraw/zinc/07/01/37/512070137.db2.gz OQLNLRWRILXDEA-LBPRGKRZSA-N -1 1 359.382 2.797 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000373879414 512551118 /nfs/dbraw/zinc/55/11/18/512551118.db2.gz BHYCSPLOQFHOEU-JTQLQIEISA-N -1 1 369.786 2.624 20 5 FFBDMM COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1C(C)(C)C ZINC000445941151 513152326 /nfs/dbraw/zinc/15/23/26/513152326.db2.gz HXABAJUZTDNJKI-UHFFFAOYSA-N -1 1 352.372 2.716 20 5 FFBDMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000446757531 513332268 /nfs/dbraw/zinc/33/22/68/513332268.db2.gz BNLNRQGKGFDHHZ-UHFFFAOYSA-N -1 1 364.379 2.632 20 5 FFBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1Cl ZINC000431178767 513847314 /nfs/dbraw/zinc/84/73/14/513847314.db2.gz LDLNAXGYMJVJSO-UHFFFAOYSA-N -1 1 370.770 2.836 20 5 FFBDMM CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000443450295 513973513 /nfs/dbraw/zinc/97/35/13/513973513.db2.gz ALAQMFDEOHLGIB-UHFFFAOYSA-N -1 1 368.342 2.795 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000414451538 514124546 /nfs/dbraw/zinc/12/45/46/514124546.db2.gz KIXQKAUUKIHUCB-SSDOTTSWSA-N -1 1 362.276 2.936 20 5 FFBDMM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445001341 514386309 /nfs/dbraw/zinc/38/63/09/514386309.db2.gz UGBRHTPFNFTMOJ-NSHDSACASA-N -1 1 359.235 2.868 20 5 FFBDMM COC[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000452740963 514480333 /nfs/dbraw/zinc/48/03/33/514480333.db2.gz DHUKIQCOBFZONY-GFCCVEGCSA-N -1 1 365.773 2.509 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)s1 ZINC000470772328 514605230 /nfs/dbraw/zinc/60/52/30/514605230.db2.gz JSVHPTSPPXBAJA-UHFFFAOYSA-N -1 1 369.449 2.787 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000476320311 515001874 /nfs/dbraw/zinc/00/18/74/515001874.db2.gz FMYVZLOTYJUIKD-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM O=C(c1cc(F)cc2nn[nH]c21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000503673824 515112301 /nfs/dbraw/zinc/11/23/01/515112301.db2.gz XRPCTDOXYMABOG-UHFFFAOYSA-N -1 1 355.329 2.810 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000509591728 515250357 /nfs/dbraw/zinc/25/03/57/515250357.db2.gz RECUCSNPDONQTP-UHFFFAOYSA-N -1 1 364.379 2.729 20 5 FFBDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000499717923 515425041 /nfs/dbraw/zinc/42/50/41/515425041.db2.gz IOULPLZSKVMOAI-WCBMZHEXSA-N -1 1 363.233 2.824 20 5 FFBDMM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000505603109 515604471 /nfs/dbraw/zinc/60/44/71/515604471.db2.gz BOYKUGHFROAOEO-OAHLLOKOSA-N -1 1 357.366 2.854 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)ccc1F ZINC000469176822 515705189 /nfs/dbraw/zinc/70/51/89/515705189.db2.gz JQVYWPHMTTUXCX-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000473760782 515744579 /nfs/dbraw/zinc/74/45/79/515744579.db2.gz AVRNSALZWBSDMZ-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000469396870 515798873 /nfs/dbraw/zinc/79/88/73/515798873.db2.gz CRNDIBNJOUDMCD-QWHCGFSZSA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000469634274 515898527 /nfs/dbraw/zinc/89/85/27/515898527.db2.gz SLJOKHXYWXAXEA-MRXNPFEDSA-N -1 1 359.382 2.769 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1 ZINC000543643767 516344164 /nfs/dbraw/zinc/34/41/64/516344164.db2.gz RJOSSBSMLDOJAX-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C[C@H](C)O1 ZINC000523128953 516393537 /nfs/dbraw/zinc/39/35/37/516393537.db2.gz AMEVIWHJLJGGMZ-BETUJISGSA-N -1 1 358.398 2.784 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000543856138 516463411 /nfs/dbraw/zinc/46/34/11/516463411.db2.gz AHSLYWYOULGEFT-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccn(C)c(=O)c2c1 ZINC000551475729 516723967 /nfs/dbraw/zinc/72/39/67/516723967.db2.gz VKPVIOZYUXXPLH-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM CCCC[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519034596 516862682 /nfs/dbraw/zinc/86/26/82/516862682.db2.gz YZDVMQDAUZJCQU-LLVKDONJSA-N -1 1 363.867 2.647 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC000525175698 516944898 /nfs/dbraw/zinc/94/48/98/516944898.db2.gz XCHZRNBOYIMTLH-UHFFFAOYSA-N -1 1 359.363 2.728 20 5 FFBDMM CN(C)Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000555578852 516989056 /nfs/dbraw/zinc/98/90/56/516989056.db2.gz DAJFAQIXGOOVCE-UHFFFAOYSA-N -1 1 350.762 2.663 20 5 FFBDMM COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000545178998 517088089 /nfs/dbraw/zinc/08/80/89/517088089.db2.gz QRMSPJFAVWWPHM-UHFFFAOYSA-N -1 1 365.773 2.804 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(C(F)(F)F)c1 ZINC000549601886 517632906 /nfs/dbraw/zinc/63/29/06/517632906.db2.gz CLLBQZCBZUPGNI-ZJUUUORDSA-N -1 1 356.297 2.783 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000542728714 517704705 /nfs/dbraw/zinc/70/47/05/517704705.db2.gz SCIUBZGVYKPICX-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1 ZINC000549915187 517778716 /nfs/dbraw/zinc/77/87/16/517778716.db2.gz RLLNROCBTVRTHF-SECBINFHSA-N -1 1 367.330 2.633 20 5 FFBDMM CC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1[O-] ZINC000567186117 518393856 /nfs/dbraw/zinc/39/38/56/518393856.db2.gz CZAHJOSCQFZSBG-UHFFFAOYSA-N -1 1 358.306 2.527 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000573339663 518620434 /nfs/dbraw/zinc/62/04/34/518620434.db2.gz SFIZWOJXBCWWQS-VIFPVBQESA-N -1 1 364.383 2.527 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1[N+](=O)[O-] ZINC000571314877 519033249 /nfs/dbraw/zinc/03/32/49/519033249.db2.gz SEGNZZLWDIHYMK-UHFFFAOYSA-N -1 1 364.383 2.601 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000574230911 519051478 /nfs/dbraw/zinc/05/14/78/519051478.db2.gz DMWVESZDINTYSE-LBPRGKRZSA-N -1 1 373.862 2.543 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2ccc3ccccc3n2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000590556212 519264159 /nfs/dbraw/zinc/26/41/59/519264159.db2.gz AZRHIQYOIVXSAH-UHFFFAOYSA-N -1 1 361.321 2.575 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600191946 520113343 /nfs/dbraw/zinc/11/33/43/520113343.db2.gz ONPJYMPNPNONGD-LLVKDONJSA-N -1 1 363.320 2.993 20 5 FFBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C(C)C)cc1 ZINC000594745547 520130228 /nfs/dbraw/zinc/13/02/28/520130228.db2.gz VLTRGHKFTFRJOZ-HNNXBMFYSA-N -1 1 365.411 2.674 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000592353984 520347533 /nfs/dbraw/zinc/34/75/33/520347533.db2.gz ZEVPNAYTLNCIJL-UHFFFAOYSA-N -1 1 363.395 2.762 20 5 FFBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000603778228 520358034 /nfs/dbraw/zinc/35/80/34/520358034.db2.gz GDQDEGXRLINHDE-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609922015 520482796 /nfs/dbraw/zinc/48/27/96/520482796.db2.gz IFRLZCZRVBKSBF-OTYXRUKQSA-N -1 1 365.773 2.855 20 5 FFBDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000604478079 520571865 /nfs/dbraw/zinc/57/18/65/520571865.db2.gz SDDCQIZNAWGDHH-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000610211884 520581877 /nfs/dbraw/zinc/58/18/77/520581877.db2.gz FRRAMGBKTYOPLT-VIFPVBQESA-N -1 1 373.337 2.631 20 5 FFBDMM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000599396292 521198758 /nfs/dbraw/zinc/19/87/58/521198758.db2.gz UKRAGWAVKYSOLW-AWEZNQCLSA-N -1 1 366.443 2.501 20 5 FFBDMM Cc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826307857 607450422 /nfs/dbraw/zinc/45/04/22/607450422.db2.gz ZCUUWLMEXSIQEU-UHFFFAOYSA-N -1 1 354.370 2.599 20 5 FFBDMM Cc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826307857 607450424 /nfs/dbraw/zinc/45/04/24/607450424.db2.gz ZCUUWLMEXSIQEU-UHFFFAOYSA-N -1 1 354.370 2.599 20 5 FFBDMM O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826498553 607451357 /nfs/dbraw/zinc/45/13/57/607451357.db2.gz AGOZWNCJOANSJI-UHFFFAOYSA-N -1 1 360.761 2.919 20 5 FFBDMM O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826498553 607451360 /nfs/dbraw/zinc/45/13/60/607451360.db2.gz AGOZWNCJOANSJI-UHFFFAOYSA-N -1 1 360.761 2.919 20 5 FFBDMM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262174828 602053297 /nfs/dbraw/zinc/05/32/97/602053297.db2.gz ODWNPDMCLDZDGY-YPMHNXCESA-N -1 1 360.370 2.625 20 5 FFBDMM CC(C)(CNC(=O)[O-])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738751565 602875657 /nfs/dbraw/zinc/87/56/57/602875657.db2.gz AZZCRULOQRPIMZ-UHFFFAOYSA-N -1 1 350.400 2.854 20 5 FFBDMM Cc1nn(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920022 605628939 /nfs/dbraw/zinc/62/89/39/605628939.db2.gz DBKUUSSCFKKVNC-AAEUAGOBSA-N -1 1 361.402 2.579 20 5 FFBDMM Cc1nn(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920022 605628942 /nfs/dbraw/zinc/62/89/42/605628942.db2.gz DBKUUSSCFKKVNC-AAEUAGOBSA-N -1 1 361.402 2.579 20 5 FFBDMM Cc1nn(CN2CCC3(C2)CCN(C(=O)[O-])CC3)c2ccc([N+](=O)[O-])cc12 ZINC000833920717 605861794 /nfs/dbraw/zinc/86/17/94/605861794.db2.gz NGQAEAZNCCZPQF-UHFFFAOYSA-N -1 1 373.413 2.676 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(F)cc1Cl ZINC000823624573 606711788 /nfs/dbraw/zinc/71/17/88/606711788.db2.gz DAXWEYDRGFEIJD-UHFFFAOYSA-N -1 1 363.740 2.617 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(F)cc1Cl ZINC000823624573 606711790 /nfs/dbraw/zinc/71/17/90/606711790.db2.gz DAXWEYDRGFEIJD-UHFFFAOYSA-N -1 1 363.740 2.617 20 5 FFBDMM CCCCO[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821071299 606714836 /nfs/dbraw/zinc/71/48/36/606714836.db2.gz AKRXWXLEFCTTID-NWDGAFQWSA-N -1 1 361.406 2.566 20 5 FFBDMM CCCCO[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821071299 606714837 /nfs/dbraw/zinc/71/48/37/606714837.db2.gz AKRXWXLEFCTTID-NWDGAFQWSA-N -1 1 361.406 2.566 20 5 FFBDMM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000531885813 694855102 /nfs/dbraw/zinc/85/51/02/694855102.db2.gz XGUYUYHOQSPODK-UHFFFAOYSA-N -1 1 358.745 2.535 20 5 FFBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000159420966 728907064 /nfs/dbraw/zinc/90/70/64/728907064.db2.gz BRTNKHFDWOGEPV-CQSZACIVSA-N -1 1 370.814 2.569 20 5 FFBDMM COCc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101570863 728486380 /nfs/dbraw/zinc/48/63/80/728486380.db2.gz VWUDHMNBQUNWDC-UHFFFAOYSA-N -1 1 370.814 2.873 20 5 FFBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc2O1 ZINC000106006594 728509437 /nfs/dbraw/zinc/50/94/37/728509437.db2.gz NBRJURONVLPPNW-VIFPVBQESA-N -1 1 352.343 2.858 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000111349722 728535828 /nfs/dbraw/zinc/53/58/28/728535828.db2.gz VMPSDGSYICSPOF-GFCCVEGCSA-N -1 1 350.371 2.742 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000151651491 728746259 /nfs/dbraw/zinc/74/62/59/728746259.db2.gz SJNPOFHZTLLWTN-UHFFFAOYSA-N -1 1 354.334 2.841 20 5 FFBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCCC2 ZINC000174032721 729061121 /nfs/dbraw/zinc/06/11/21/729061121.db2.gz ISRNXTPHHZUNIC-UONOGXRCSA-N -1 1 372.418 2.750 20 5 FFBDMM O=C(CSc1ccc(Cl)cn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000914531026 737582552 /nfs/dbraw/zinc/58/25/52/737582552.db2.gz CTQQEMNDDIJOFT-UHFFFAOYSA-N -1 1 351.771 2.692 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000865371780 730947437 /nfs/dbraw/zinc/94/74/37/730947437.db2.gz SIFGYGNOFFTCMH-UHFFFAOYSA-N -1 1 351.340 2.574 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CCOCC1 ZINC000866904133 731116435 /nfs/dbraw/zinc/11/64/35/731116435.db2.gz PXRJCQHEQWDUHI-ZDUSSCGKSA-N -1 1 360.407 2.526 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000742648313 735246769 /nfs/dbraw/zinc/24/67/69/735246769.db2.gz NMPNNUCBGQNLEH-AAEUAGOBSA-N -1 1 354.334 2.707 20 5 FFBDMM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000766079458 737191324 /nfs/dbraw/zinc/19/13/24/737191324.db2.gz GZHZONIXMOGYKC-QWHCGFSZSA-N -1 1 360.407 2.604 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000769047606 737489351 /nfs/dbraw/zinc/48/93/51/737489351.db2.gz OPLFCYOAGBVGNR-ZIBATOQPSA-N -1 1 350.371 2.541 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000769927606 737585072 /nfs/dbraw/zinc/58/50/72/737585072.db2.gz PBLIOJRMGUPMHP-UHFFFAOYSA-N -1 1 368.798 2.757 20 5 FFBDMM O=C(CSc1nc2ccccc2[nH]1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000916596803 737713961 /nfs/dbraw/zinc/71/39/61/737713961.db2.gz LPWBJZWSMLYSKF-UHFFFAOYSA-N -1 1 356.363 2.520 20 5 FFBDMM O=C([O-])[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000923529105 738297816 /nfs/dbraw/zinc/29/78/16/738297816.db2.gz KQFRGWQDKUYIKR-NWDGAFQWSA-N -1 1 369.215 2.900 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000777595269 738303799 /nfs/dbraw/zinc/30/37/99/738303799.db2.gz CUWKAGGQALUMQL-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421130 739561988 /nfs/dbraw/zinc/56/19/88/739561988.db2.gz HOIICPFTGDRABQ-HQJQHLMTSA-N -1 1 371.242 2.587 20 5 FFBDMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800928398 740567299 /nfs/dbraw/zinc/56/72/99/740567299.db2.gz MSWSAFDMPUCLPB-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809397087 741305372 /nfs/dbraw/zinc/30/53/72/741305372.db2.gz VMTVCYQJFVKJFZ-SECBINFHSA-N -1 1 371.242 2.587 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000809827758 741349909 /nfs/dbraw/zinc/34/99/09/741349909.db2.gz DMIIMBUPNIZQBS-JQWIXIFHSA-N -1 1 366.798 2.623 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000815022696 741884692 /nfs/dbraw/zinc/88/46/92/741884692.db2.gz WLDLPQXKCKJDAV-LBPRGKRZSA-N -1 1 368.814 2.727 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000815028860 741886106 /nfs/dbraw/zinc/88/61/06/741886106.db2.gz JGRXLOSCEJQYJL-AYMMMOKOSA-N -1 1 366.798 2.622 20 5 FFBDMM Cc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815037164 741888263 /nfs/dbraw/zinc/88/82/63/741888263.db2.gz HCEKOQTXQGLEMC-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM CCC[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815045297 741890000 /nfs/dbraw/zinc/89/00/00/741890000.db2.gz PVOSXHAJVFSHFI-CYBMUJFWSA-N -1 1 366.798 2.625 20 5 FFBDMM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832511298 745710462 /nfs/dbraw/zinc/71/04/62/745710462.db2.gz SDPCQTIMVOJNQB-LLVKDONJSA-N -1 1 369.226 2.605 20 5 FFBDMM COC1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000841539799 747390425 /nfs/dbraw/zinc/39/04/25/747390425.db2.gz LEBJPHHSUVPERB-UHFFFAOYSA-N -1 1 366.798 2.623 20 5 FFBDMM CCOc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821416629 945690759 /nfs/dbraw/zinc/69/07/59/945690759.db2.gz BPTMAQFFTNDTQF-UHFFFAOYSA-N -1 1 354.370 2.810 20 5 FFBDMM C[C@@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311951443 963524129 /nfs/dbraw/zinc/52/41/29/963524129.db2.gz JTDQXWMXGOMRPX-OCCSQVGLSA-N -1 1 356.382 2.763 20 5 FFBDMM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001211609349 967919086 /nfs/dbraw/zinc/91/90/86/967919086.db2.gz VQBRNNMBPFHIMX-UHFFFAOYSA-N -1 1 372.349 2.669 20 5 FFBDMM C[C@@](Cn1cccn1)(NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001592923579 979925084 /nfs/dbraw/zinc/92/50/84/979925084.db2.gz PJQHQPNINSEJPH-AWEZNQCLSA-N -1 1 373.196 2.731 20 5 FFBDMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130422085 983054511 /nfs/dbraw/zinc/05/45/11/983054511.db2.gz MMLYVZDRPKESQS-UHFFFAOYSA-N -1 1 373.384 2.834 20 5 FFBDMM CCC(=O)c1ccc(O)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001594721219 987204424 /nfs/dbraw/zinc/20/44/24/987204424.db2.gz WQOBQIGIHZUYHF-UHFFFAOYSA-N -1 1 358.306 2.844 20 5 FFBDMM CC(C)(F)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000699269774 987716045 /nfs/dbraw/zinc/71/60/45/987716045.db2.gz LUSUGZIOOSKOQR-UHFFFAOYSA-N -1 1 369.212 2.774 20 5 FFBDMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599866340 989265854 /nfs/dbraw/zinc/26/58/54/989265854.db2.gz CXXMTJNPHYVWNB-OAHLLOKOSA-N -1 1 369.421 2.999 20 5 FFBDMM O=C([N-]c1nc(C2CC2)no1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001129195179 990508020 /nfs/dbraw/zinc/50/80/20/990508020.db2.gz GFOVQVXEAXDZFP-UHFFFAOYSA-N -1 1 353.132 2.870 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cc[nH]c2=O)c1 ZINC000919959326 990771071 /nfs/dbraw/zinc/77/10/71/990771071.db2.gz DFRMEERLAQYPDF-UHFFFAOYSA-N -1 1 374.378 2.595 20 5 FFBDMM CN1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC001598619991 993986208 /nfs/dbraw/zinc/98/62/08/993986208.db2.gz VXSBHFUTPBVTFL-SFHVURJKSA-N -1 1 369.421 2.652 20 5 FFBDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000745522317 999917436 /nfs/dbraw/zinc/91/74/36/999917436.db2.gz FCSVCQQZMNWFEU-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769045586 1000412494 /nfs/dbraw/zinc/41/24/94/1000412494.db2.gz BYQMUEOYCIYKRX-NSHDSACASA-N -1 1 372.333 2.687 20 5 FFBDMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000769050458 1000424102 /nfs/dbraw/zinc/42/41/02/1000424102.db2.gz WUKFLWWBVQBGRZ-JTQLQIEISA-N -1 1 362.313 2.932 20 5 FFBDMM O=C(NCCc1ccc(N2CCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770222899 1000706341 /nfs/dbraw/zinc/70/63/41/1000706341.db2.gz CXSBLOQNWUKRMO-UHFFFAOYSA-N -1 1 370.409 2.658 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCOC1 ZINC001193831274 1004592383 /nfs/dbraw/zinc/59/23/83/1004592383.db2.gz WIBLJHHIRHSKAE-IAQYHMDHSA-N -1 1 374.846 2.732 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCC2(F)F)c(F)c1 ZINC001194110894 1004650499 /nfs/dbraw/zinc/65/04/99/1004650499.db2.gz ZCKABTIBIDPVEQ-SECBINFHSA-N -1 1 352.334 2.838 20 5 FFBDMM Cc1nc([C@](C)([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000817622964 1007686701 /nfs/dbraw/zinc/68/67/01/1007686701.db2.gz FDVGVTULQIZOBI-OAHLLOKOSA-N -1 1 366.324 2.820 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001170982903 1008546690 /nfs/dbraw/zinc/54/66/90/1008546690.db2.gz BYLIQISVKBXKOS-GOSISDBHSA-N -1 1 364.361 2.811 20 5 FFBDMM COC(=O)CCc1ccc([O-])c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC001177794493 1008751145 /nfs/dbraw/zinc/75/11/45/1008751145.db2.gz DDHPZSPRHNMTPI-UHFFFAOYSA-N -1 1 358.350 2.967 20 5 FFBDMM O=C(OCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074611 1019579125 /nfs/dbraw/zinc/57/91/25/1019579125.db2.gz GXYPJDIEQMIIMI-BLLLJJGKSA-N -1 1 362.382 2.638 20 5 FFBDMM O=c1cc[n-]c(O[C@H]2CCN(Cc3ccccc3)CC2(F)F)c1[N+](=O)[O-] ZINC001225663661 1034357579 /nfs/dbraw/zinc/35/75/79/1034357579.db2.gz FIUZJRAMXUKAIK-AWEZNQCLSA-N -1 1 365.336 2.984 20 5 FFBDMM C=CC(=O)OC[C@@H](C)Oc1cc2c(cc1[O-])oc1cccc(O)c1c2=O ZINC001227306152 1035501168 /nfs/dbraw/zinc/50/11/68/1035501168.db2.gz GKZCJQIQYWUVQO-SNVBAGLBSA-N -1 1 356.330 2.854 20 5 FFBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001228139822 1035955497 /nfs/dbraw/zinc/95/54/97/1035955497.db2.gz AEYYFLPQKIPYLF-JTQLQIEISA-N -1 1 368.390 2.505 20 5 FFBDMM Cc1nc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378253 1036639832 /nfs/dbraw/zinc/63/98/32/1036639832.db2.gz JMNPNDOGSOSFKZ-GFCCVEGCSA-N -1 1 364.789 2.706 20 5 FFBDMM O=[N+]([O-])c1cc2nc(OC3CCN(c4ncccn4)CC3)[n-]c2cc1Cl ZINC001233500090 1036661543 /nfs/dbraw/zinc/66/15/43/1036661543.db2.gz PYGKCOXDGAWRDA-UHFFFAOYSA-N -1 1 374.788 2.962 20 5 FFBDMM C[C@H](O)CCCC(=O)Oc1cc2c(cc1O)c(=O)oc1cc([O-])ccc12 ZINC001229803913 1036908569 /nfs/dbraw/zinc/90/85/69/1036908569.db2.gz SZPCLMHDHHOSJH-JTQLQIEISA-N -1 1 358.346 2.814 20 5 FFBDMM CC1=C[C@@H](Oc2cc3c(cc2O)c(=O)oc2cc([O-])ccc23)CC(=O)O1 ZINC001229803694 1036908918 /nfs/dbraw/zinc/90/89/18/1036908918.db2.gz RALWJOGWIWYQMT-LLVKDONJSA-N -1 1 354.314 2.956 20 5 FFBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cnccn1 ZINC001234126903 1036930805 /nfs/dbraw/zinc/93/08/05/1036930805.db2.gz AWMTZHSZKZIBGP-SECBINFHSA-N -1 1 366.329 2.993 20 5 FFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H](C[N+](=O)[O-])C3CC3)c12 ZINC001234747241 1037163566 /nfs/dbraw/zinc/16/35/66/1037163566.db2.gz JIYHJBFFELZRNV-INIZCTEOSA-N -1 1 357.318 2.792 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OCC(=O)OC(C)C)cc([O-])cc3oc21 ZINC001234748384 1037164375 /nfs/dbraw/zinc/16/43/75/1037164375.db2.gz HMOSABQXJMPDCE-UHFFFAOYSA-N -1 1 374.345 2.696 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CC(C(=O)OCc3ccccc3)C2)n1 ZINC001231259434 1037513747 /nfs/dbraw/zinc/51/37/47/1037513747.db2.gz LHXIMANPPSCQRA-UHFFFAOYSA-N -1 1 358.350 2.905 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2cnc3cc(C4CCOCC4)nn3c2)ccc1[O-] ZINC001210396437 1039522025 /nfs/dbraw/zinc/52/20/25/1039522025.db2.gz ROKDPFKNQBWOEN-UHFFFAOYSA-N -1 1 355.354 2.981 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2ccc(Cl)cc21 ZINC001475546473 1061134272 /nfs/dbraw/zinc/13/42/72/1061134272.db2.gz PEQFMQQWONIDMF-LBPRGKRZSA-N -1 1 353.787 2.609 20 5 FFBDMM CC1(C)CC2(CC([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC001475760734 1061258798 /nfs/dbraw/zinc/25/87/98/1061258798.db2.gz STGHLYMTJHOKEF-UHFFFAOYSA-N -1 1 374.846 2.874 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC001462729567 1061747519 /nfs/dbraw/zinc/74/75/19/1061747519.db2.gz AEVCFZXSQGUPJB-UHFFFAOYSA-N -1 1 365.729 2.818 20 5 FFBDMM CCC[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001464693147 1062765132 /nfs/dbraw/zinc/76/51/32/1062765132.db2.gz HNDFDKSVCNXDGD-QMMMGPOBSA-N -1 1 371.242 2.731 20 5 FFBDMM C[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001575434562 1078140534 /nfs/dbraw/zinc/14/05/34/1078140534.db2.gz BQQWRVXRLHGQEY-ZHZWEUQESA-N -1 1 372.410 2.685 20 5 FFBDMM C[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001575434562 1078140535 /nfs/dbraw/zinc/14/05/35/1078140535.db2.gz BQQWRVXRLHGQEY-ZHZWEUQESA-N -1 1 372.410 2.685 20 5 FFBDMM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1-c1ccc2c(c1)OCO2 ZINC001472462957 1065073002 /nfs/dbraw/zinc/07/30/02/1065073002.db2.gz HUANAQYHNKATIR-UHFFFAOYSA-N -1 1 355.310 2.602 20 5 FFBDMM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001474992955 1065666171 /nfs/dbraw/zinc/66/61/71/1065666171.db2.gz IEDHWNAIHQDYJC-SECBINFHSA-N -1 1 357.363 2.687 20 5 FFBDMM O=C(N[C@@H](c1c[nH]nn1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001577973752 1078417153 /nfs/dbraw/zinc/41/71/53/1078417153.db2.gz URWWMOLREVVFCT-CQSZACIVSA-N -1 1 373.756 2.591 20 5 FFBDMM COCC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccc(C)o1 ZINC001579778300 1078681711 /nfs/dbraw/zinc/68/17/11/1078681711.db2.gz VPJXGWKZINZROM-SECBINFHSA-N -1 1 364.387 2.928 20 5 FFBDMM COCC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccc(C)o1 ZINC001579778300 1078681716 /nfs/dbraw/zinc/68/17/16/1078681716.db2.gz VPJXGWKZINZROM-SECBINFHSA-N -1 1 364.387 2.928 20 5 FFBDMM N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC001580115324 1078751599 /nfs/dbraw/zinc/75/15/99/1078751599.db2.gz SNVDTFYQFZQBDA-CYBMUJFWSA-N -1 1 355.272 2.958 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(C(F)(F)F)nc1 ZINC001559029510 1076117804 /nfs/dbraw/zinc/11/78/04/1076117804.db2.gz HNVFJDPSCXOMLP-SSDOTTSWSA-N -1 1 356.260 2.600 20 5 FFBDMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001561259044 1076353523 /nfs/dbraw/zinc/35/35/23/1076353523.db2.gz OKWCEUDOYZMSTC-QWRGUYRKSA-N -1 1 362.448 2.995 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)cc1F ZINC001561263954 1076354251 /nfs/dbraw/zinc/35/42/51/1076354251.db2.gz IYUPXEJRGGHLTJ-LBPRGKRZSA-N -1 1 368.386 2.788 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC001561743668 1076415934 /nfs/dbraw/zinc/41/59/34/1076415934.db2.gz MJHQMSFOCJVHEI-KXUCPTDWSA-N -1 1 364.345 2.754 20 5 FFBDMM COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001570509159 1077211324 /nfs/dbraw/zinc/21/13/24/1077211324.db2.gz PRTPLMVNWHXFOK-RUZDIDTESA-N -1 1 365.363 2.574 20 5 FFBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC001570805448 1077232281 /nfs/dbraw/zinc/23/22/81/1077232281.db2.gz YKADXLWBTITPQG-UHFFFAOYSA-N -1 1 370.148 2.615 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801949 1080758517 /nfs/dbraw/zinc/75/85/17/1080758517.db2.gz DSRHNEALCJEXAS-JOYOIKCWSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801949 1080758526 /nfs/dbraw/zinc/75/85/26/1080758526.db2.gz DSRHNEALCJEXAS-JOYOIKCWSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC001589875876 1080823379 /nfs/dbraw/zinc/82/33/79/1080823379.db2.gz KAYWLABNZRLMKX-JTQLQIEISA-N -1 1 366.385 2.658 20 5 FFBDMM C[C@@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC001589875876 1080823381 /nfs/dbraw/zinc/82/33/81/1080823381.db2.gz KAYWLABNZRLMKX-JTQLQIEISA-N -1 1 366.385 2.658 20 5 FFBDMM C[C@H](O)C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994986 1080927597 /nfs/dbraw/zinc/92/75/97/1080927597.db2.gz BAIAZNPHZAJJSZ-GXTWGEPZSA-N -1 1 368.397 2.742 20 5 FFBDMM C[C@H](O)C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC001589994986 1080927602 /nfs/dbraw/zinc/92/76/02/1080927602.db2.gz BAIAZNPHZAJJSZ-GXTWGEPZSA-N -1 1 368.397 2.742 20 5 FFBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000042652858 249390761 /nfs/dbraw/zinc/39/07/61/249390761.db2.gz GHDJIYXSTYYSGN-UHFFFAOYSA-N -1 1 351.344 2.904 20 5 FFBDMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000368889468 512121331 /nfs/dbraw/zinc/12/13/31/512121331.db2.gz QJWAMHDKXYMUIN-AWEZNQCLSA-N -1 1 373.365 2.690 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000272390610 252026431 /nfs/dbraw/zinc/02/64/31/252026431.db2.gz CVZGMVFXVSNXPW-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000275829088 256051703 /nfs/dbraw/zinc/05/17/03/256051703.db2.gz CDCDSUSIOVPACA-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000277528132 256207928 /nfs/dbraw/zinc/20/79/28/256207928.db2.gz ZATCXBMUQRFIGF-HNNXBMFYSA-N -1 1 360.366 2.918 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000287167377 257075381 /nfs/dbraw/zinc/07/53/81/257075381.db2.gz DJXVFOGWVJHRDL-VIFPVBQESA-N -1 1 350.849 2.670 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000290815606 257359057 /nfs/dbraw/zinc/35/90/57/257359057.db2.gz SNXWRRTYJAPBNO-HTQZYQBOSA-N -1 1 369.226 2.747 20 5 FFBDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000033158711 506342104 /nfs/dbraw/zinc/34/21/04/506342104.db2.gz RRKICCBQBCNCRZ-UHFFFAOYSA-N -1 1 367.383 2.517 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000007323152 506552093 /nfs/dbraw/zinc/55/20/93/506552093.db2.gz OIQVFNYRNNZMPR-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000067079128 506750451 /nfs/dbraw/zinc/75/04/51/506750451.db2.gz CJLPVXPTCVSJFM-UHFFFAOYSA-N -1 1 367.818 2.810 20 5 FFBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997006 506805901 /nfs/dbraw/zinc/80/59/01/506805901.db2.gz BGYYJBIGOOZSOV-ZCFIWIBFSA-N -1 1 361.305 2.851 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000045774193 507016449 /nfs/dbraw/zinc/01/64/49/507016449.db2.gz RKIBLSWWRSEXGI-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067950476 507064622 /nfs/dbraw/zinc/06/46/22/507064622.db2.gz ZFKOJNPYNRMHIJ-UHFFFAOYSA-N -1 1 356.425 2.576 20 5 FFBDMM CC(C)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000026571285 507598634 /nfs/dbraw/zinc/59/86/34/507598634.db2.gz FDMMPEUHNAXIEM-UHFFFAOYSA-N -1 1 350.356 2.593 20 5 FFBDMM COc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029939748 507796530 /nfs/dbraw/zinc/79/65/30/507796530.db2.gz HTRIRKYUGGHFBZ-UHFFFAOYSA-N -1 1 356.787 2.735 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000093909284 508159682 /nfs/dbraw/zinc/15/96/82/508159682.db2.gz XRHJSDOBBXOCMB-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM CC(C)(C)NS(=O)(=O)c1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000098110221 508235261 /nfs/dbraw/zinc/23/52/61/508235261.db2.gz SILAVXDRCQSQJV-UHFFFAOYSA-N -1 1 367.383 2.517 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104760501 508345010 /nfs/dbraw/zinc/34/50/10/508345010.db2.gz JWHQEMXDAKNAIS-NSHDSACASA-N -1 1 371.440 2.798 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000105389799 508372241 /nfs/dbraw/zinc/37/22/41/508372241.db2.gz KSXLWRUGBUNOGZ-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125325678 508966176 /nfs/dbraw/zinc/96/61/76/508966176.db2.gz AWPVEULOWVNBCF-UHFFFAOYSA-N -1 1 359.429 2.556 20 5 FFBDMM Cc1sc(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000125604583 509006059 /nfs/dbraw/zinc/00/60/59/509006059.db2.gz WWIRNDHQTNYADA-LLVKDONJSA-N -1 1 354.409 2.685 20 5 FFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000151480182 509025518 /nfs/dbraw/zinc/02/55/18/509025518.db2.gz PPJOLMBXYQIXHW-CYBMUJFWSA-N -1 1 359.404 2.794 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000121051483 509118368 /nfs/dbraw/zinc/11/83/68/509118368.db2.gz ZMOLNABZFNYTMQ-UHFFFAOYSA-N -1 1 355.441 2.709 20 5 FFBDMM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000121151081 509138908 /nfs/dbraw/zinc/13/89/08/509138908.db2.gz HSOOPSLYDVTUAP-CYBMUJFWSA-N -1 1 370.409 2.651 20 5 FFBDMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164280893 509485777 /nfs/dbraw/zinc/48/57/77/509485777.db2.gz WZKZEMAIZCSGNX-UHFFFAOYSA-N -1 1 373.384 2.834 20 5 FFBDMM CC(C)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000164384213 509496789 /nfs/dbraw/zinc/49/67/89/509496789.db2.gz ZZNLSYBMLBLMPK-UHFFFAOYSA-N -1 1 369.421 2.867 20 5 FFBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000193028406 509742654 /nfs/dbraw/zinc/74/26/54/509742654.db2.gz XPMBXQHPUDMVHV-UHFFFAOYSA-N -1 1 358.379 2.722 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1F ZINC000173729812 509742835 /nfs/dbraw/zinc/74/28/35/509742835.db2.gz FMBYSJQURYWAAD-SECBINFHSA-N -1 1 360.388 2.541 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000173810924 509792667 /nfs/dbraw/zinc/79/26/67/509792667.db2.gz RDCMFXBIHLXTHW-UHFFFAOYSA-N -1 1 361.832 2.746 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000171041238 509904364 /nfs/dbraw/zinc/90/43/64/509904364.db2.gz MNORWHPOOKZOJR-WFASDCNBSA-N -1 1 368.436 2.855 20 5 FFBDMM O=C(NCc1cccc(-c2ccccn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193745306 510046124 /nfs/dbraw/zinc/04/61/24/510046124.db2.gz LOBRRMXWJGQZQO-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000194941452 510602361 /nfs/dbraw/zinc/60/23/61/510602361.db2.gz FGWMEULENRURJF-UHFFFAOYSA-N -1 1 373.340 2.570 20 5 FFBDMM CCOC(=O)c1ccnc([N-]c2cnn(Cc3ccccn3)c2)c1[N+](=O)[O-] ZINC000172369532 510694178 /nfs/dbraw/zinc/69/41/78/510694178.db2.gz HCLACHYPOOTVRT-UHFFFAOYSA-N -1 1 368.353 2.550 20 5 FFBDMM Nc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000365559911 511527767 /nfs/dbraw/zinc/52/77/67/511527767.db2.gz KXYVXZZOAKNFCN-UHFFFAOYSA-N -1 1 369.377 2.618 20 5 FFBDMM COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1SC ZINC000299465573 511646264 /nfs/dbraw/zinc/64/62/64/511646264.db2.gz SQAYFHBAORQWEX-UHFFFAOYSA-N -1 1 363.395 2.698 20 5 FFBDMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296521175 511779485 /nfs/dbraw/zinc/77/94/85/511779485.db2.gz ACTALQUGANKLAJ-RNFRBKRXSA-N -1 1 357.215 2.603 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000327397814 511875294 /nfs/dbraw/zinc/87/52/94/511875294.db2.gz UFFAQQDNUIKHPP-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000447710714 513549375 /nfs/dbraw/zinc/54/93/75/513549375.db2.gz RKNBNZZKOPAVAP-LLVKDONJSA-N -1 1 359.235 2.710 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000436504048 513876802 /nfs/dbraw/zinc/87/68/02/513876802.db2.gz JQEZIGPFFUMJNC-UHFFFAOYSA-N -1 1 350.714 2.993 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000416633582 513878229 /nfs/dbraw/zinc/87/82/29/513878229.db2.gz MPLNSUGVAUDBTF-NSHDSACASA-N -1 1 374.312 2.608 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000451960621 514097162 /nfs/dbraw/zinc/09/71/62/514097162.db2.gz PYTGJHSUEJIQFB-UHFFFAOYSA-N -1 1 353.400 2.631 20 5 FFBDMM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432192773 514121884 /nfs/dbraw/zinc/12/18/84/514121884.db2.gz OUNBRBAENXKKDS-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM COc1ccccc1-c1nc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC000444753842 514319070 /nfs/dbraw/zinc/31/90/70/514319070.db2.gz QPIMAXOOXJMLBP-UHFFFAOYSA-N -1 1 369.337 2.649 20 5 FFBDMM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438557199 514402325 /nfs/dbraw/zinc/40/23/25/514402325.db2.gz JWWOVJYMBATNIT-KRWDZBQOSA-N -1 1 369.425 2.752 20 5 FFBDMM CCOC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)[O-] ZINC000417609832 514435492 /nfs/dbraw/zinc/43/54/92/514435492.db2.gz RRBIUIDJJKBQIA-ZDUSSCGKSA-N -1 1 350.396 2.903 20 5 FFBDMM CC1(C)[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1OCc1ccccc1 ZINC000445221465 514445054 /nfs/dbraw/zinc/44/50/54/514445054.db2.gz XESJBGZCSSUUGG-HZPDHXFCSA-N -1 1 371.393 2.809 20 5 FFBDMM CCOc1cc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000445412723 514476615 /nfs/dbraw/zinc/47/66/15/514476615.db2.gz PBJHMSSMLWIIRO-UHFFFAOYSA-N -1 1 365.733 2.803 20 5 FFBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000439020811 514484440 /nfs/dbraw/zinc/48/44/40/514484440.db2.gz OREFPQASIKYPEX-UHFFFAOYSA-N -1 1 356.367 2.749 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000480390617 514940687 /nfs/dbraw/zinc/94/06/87/514940687.db2.gz SGJMDWFOLATVIZ-UHFFFAOYSA-N -1 1 374.287 2.937 20 5 FFBDMM Cc1c(F)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485224526 514964175 /nfs/dbraw/zinc/96/41/75/514964175.db2.gz QHSNYLSGBUTMHF-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM COc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC ZINC000509392848 515154511 /nfs/dbraw/zinc/15/45/11/515154511.db2.gz LUCKFCLMAMUFNI-UHFFFAOYSA-N -1 1 370.159 2.955 20 5 FFBDMM CC(C)OC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000472910217 515440566 /nfs/dbraw/zinc/44/05/66/515440566.db2.gz APDBDUDJYVRXQJ-AWEZNQCLSA-N -1 1 373.365 2.508 20 5 FFBDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000468804018 515527210 /nfs/dbraw/zinc/52/72/10/515527210.db2.gz COFLMTZELYLPQC-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000468838301 515545179 /nfs/dbraw/zinc/54/51/79/515545179.db2.gz GFLBWWWFDQWIJP-UHFFFAOYSA-N -1 1 368.415 2.716 20 5 FFBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473358655 515587261 /nfs/dbraw/zinc/58/72/61/515587261.db2.gz SFEUNOWQRQHNQS-UHFFFAOYSA-N -1 1 367.358 2.748 20 5 FFBDMM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505997470 515746494 /nfs/dbraw/zinc/74/64/94/515746494.db2.gz NEYUUCIOGMUQNS-KRWDZBQOSA-N -1 1 371.393 2.910 20 5 FFBDMM O=C(NCCc1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000465478581 516166545 /nfs/dbraw/zinc/16/65/45/516166545.db2.gz UECWSMNTTGJRGX-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c1 ZINC000543653511 516347660 /nfs/dbraw/zinc/34/76/60/516347660.db2.gz QQUSXGZCIAQOTG-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000561216076 516458449 /nfs/dbraw/zinc/45/84/49/516458449.db2.gz SMXLIYFFOMXSJB-UHFFFAOYSA-N -1 1 371.393 2.886 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(Cl)c1 ZINC000547895559 516623273 /nfs/dbraw/zinc/62/32/73/516623273.db2.gz GYXNATDFVCJVKW-UHFFFAOYSA-N -1 1 362.772 2.809 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000536502062 516792786 /nfs/dbraw/zinc/79/27/86/516792786.db2.gz KYRBIVPCCIXIKM-UHFFFAOYSA-N -1 1 369.349 2.626 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000548766976 517201267 /nfs/dbraw/zinc/20/12/67/517201267.db2.gz JRCHPHIJYSDGQX-CQSZACIVSA-N -1 1 353.375 2.805 20 5 FFBDMM O=C(NCc1ccc(OC2CCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552779722 517389366 /nfs/dbraw/zinc/38/93/66/517389366.db2.gz AKWCHFZIAVQJHB-UHFFFAOYSA-N -1 1 357.366 2.947 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000542754396 517717562 /nfs/dbraw/zinc/71/75/62/517717562.db2.gz WMCHWLODZWMZEG-NSHDSACASA-N -1 1 370.349 2.859 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000530431218 517770271 /nfs/dbraw/zinc/77/02/71/517770271.db2.gz YLQWBFJFUBYIGM-GXTWGEPZSA-N -1 1 365.386 2.744 20 5 FFBDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000539856256 518172314 /nfs/dbraw/zinc/17/23/14/518172314.db2.gz PKSUCKVBBMICMX-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000566803363 518212111 /nfs/dbraw/zinc/21/21/11/518212111.db2.gz VDZCSWIZJLXNHY-UHFFFAOYSA-N -1 1 360.366 2.699 20 5 FFBDMM Cc1cc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576519925 518632799 /nfs/dbraw/zinc/63/27/99/518632799.db2.gz IPRARGVOESJWIB-CHWSQXEVSA-N -1 1 365.430 2.901 20 5 FFBDMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000571096373 518924080 /nfs/dbraw/zinc/92/40/80/518924080.db2.gz AGVRRQXIWONISF-QGZVFWFLSA-N -1 1 359.357 2.682 20 5 FFBDMM CC(C)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000565913839 519193911 /nfs/dbraw/zinc/19/39/11/519193911.db2.gz JYYMGHFNIIBSSD-LBPRGKRZSA-N -1 1 360.370 2.827 20 5 FFBDMM Cc1cc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577733789 519228858 /nfs/dbraw/zinc/22/88/58/519228858.db2.gz CXHIHBSCUVLKDH-CVEARBPZSA-N -1 1 363.414 2.657 20 5 FFBDMM CSc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000616328730 519981517 /nfs/dbraw/zinc/98/15/17/519981517.db2.gz SWIFTYGGXRWLBM-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM Cc1cnc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000594476112 519986271 /nfs/dbraw/zinc/98/62/71/519986271.db2.gz CXMPBEAOEZWBGW-UHFFFAOYSA-N -1 1 369.830 2.781 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c1 ZINC000612600035 520042939 /nfs/dbraw/zinc/04/29/39/520042939.db2.gz UNZGAVAMODXIEY-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594780755 520154516 /nfs/dbraw/zinc/15/45/16/520154516.db2.gz RXZOLJOTGMAMPK-UHFFFAOYSA-N -1 1 365.411 2.566 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592385238 520363793 /nfs/dbraw/zinc/36/37/93/520363793.db2.gz VSGFXWPNKYEYSJ-UHFFFAOYSA-N -1 1 354.388 2.559 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603904505 520400812 /nfs/dbraw/zinc/40/08/12/520400812.db2.gz MMQMOAUFCPTKPF-UHFFFAOYSA-N -1 1 350.294 2.773 20 5 FFBDMM COC[C@H](C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000600794257 520473299 /nfs/dbraw/zinc/47/32/99/520473299.db2.gz VNSJKHWSQQJWQG-LRDDRELGSA-N -1 1 371.393 2.860 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000610259527 520608396 /nfs/dbraw/zinc/60/83/96/520608396.db2.gz ODDXMLSJTIDISL-LLVKDONJSA-N -1 1 351.409 2.505 20 5 FFBDMM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618368274 521035184 /nfs/dbraw/zinc/03/51/84/521035184.db2.gz HJBZIPCDUJDZOX-UHFFFAOYSA-N -1 1 360.757 2.803 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000593752783 521194081 /nfs/dbraw/zinc/19/40/81/521194081.db2.gz OSKAJHKXXLHPCE-LBPRGKRZSA-N -1 1 360.370 2.722 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000619467797 521583303 /nfs/dbraw/zinc/58/33/03/521583303.db2.gz FRSDPPRVQAZGNS-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000830369946 601419507 /nfs/dbraw/zinc/41/95/07/601419507.db2.gz VRCGGUAZYHOCEQ-GFCCVEGCSA-N -1 1 360.370 2.530 20 5 FFBDMM CC(C)C[N@H+]1CCO[C@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826885878 602250045 /nfs/dbraw/zinc/25/00/45/602250045.db2.gz LJUATFALDGCCDT-LLVKDONJSA-N -1 1 371.821 2.715 20 5 FFBDMM CC(C)CN1CCO[C@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826885878 602250046 /nfs/dbraw/zinc/25/00/46/602250046.db2.gz LJUATFALDGCCDT-LLVKDONJSA-N -1 1 371.821 2.715 20 5 FFBDMM CN(CCOc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821605108 606644919 /nfs/dbraw/zinc/64/49/19/606644919.db2.gz VQWJMCAIEFHYCP-UHFFFAOYSA-N -1 1 374.788 2.944 20 5 FFBDMM Cc1ccc(C[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822235085 606709690 /nfs/dbraw/zinc/70/96/90/606709690.db2.gz RHLARVHSWZSBHY-GFCCVEGCSA-N -1 1 353.386 2.830 20 5 FFBDMM Cc1ccc(C[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822235085 606709691 /nfs/dbraw/zinc/70/96/91/606709691.db2.gz RHLARVHSWZSBHY-GFCCVEGCSA-N -1 1 353.386 2.830 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OCC2CC2)cc1 ZINC000823625115 606711812 /nfs/dbraw/zinc/71/18/12/606711812.db2.gz PILQXKZHBHDZLJ-UHFFFAOYSA-N -1 1 353.342 2.702 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OCC2CC2)cc1 ZINC000823625115 606711814 /nfs/dbraw/zinc/71/18/14/606711814.db2.gz PILQXKZHBHDZLJ-UHFFFAOYSA-N -1 1 353.342 2.702 20 5 FFBDMM C[C@H]1[C@H](c2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820641606 606717704 /nfs/dbraw/zinc/71/77/04/606717704.db2.gz DKVQZFROJDOGHY-WCQYABFASA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@H]1[C@H](c2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820641606 606717705 /nfs/dbraw/zinc/71/77/05/606717705.db2.gz DKVQZFROJDOGHY-WCQYABFASA-N -1 1 351.370 2.552 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820908528 606718010 /nfs/dbraw/zinc/71/80/10/606718010.db2.gz NEFAEVWEQFDMNI-LLVKDONJSA-N -1 1 373.348 2.579 20 5 FFBDMM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820908528 606718012 /nfs/dbraw/zinc/71/80/12/606718012.db2.gz NEFAEVWEQFDMNI-LLVKDONJSA-N -1 1 373.348 2.579 20 5 FFBDMM CCc1nnc(Oc2ccc([N+](=O)[O-])c(C)c2)c(-c2nnn[n-]2)c1CC ZINC000821548684 606918238 /nfs/dbraw/zinc/91/82/38/606918238.db2.gz TZDMBJJYTAVGOW-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM CCc1nnc(Oc2ccc([N+](=O)[O-])c(C)c2)c(-c2nn[n-]n2)c1CC ZINC000821548684 606918239 /nfs/dbraw/zinc/91/82/39/606918239.db2.gz TZDMBJJYTAVGOW-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM O=C([N-]c1nc2ccccn2n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000537317157 673386008 /nfs/dbraw/zinc/38/60/08/673386008.db2.gz FRIXWKAIEJPTEC-UHFFFAOYSA-N -1 1 362.143 2.652 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160157448 728918527 /nfs/dbraw/zinc/91/85/27/728918527.db2.gz CNSBFTCOGRKWMI-VIFPVBQESA-N -1 1 356.787 2.993 20 5 FFBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746052832 735460084 /nfs/dbraw/zinc/46/00/84/735460084.db2.gz YPNAKQYEEPMSNW-ZDUSSCGKSA-N -1 1 364.851 2.978 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000038039638 727933625 /nfs/dbraw/zinc/93/36/25/727933625.db2.gz SGIYRILTAIUVOH-UHFFFAOYSA-N -1 1 371.212 2.836 20 5 FFBDMM CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000040494853 727935860 /nfs/dbraw/zinc/93/58/60/727935860.db2.gz RLRSXWNJWQCODZ-UHFFFAOYSA-N -1 1 351.222 2.682 20 5 FFBDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000071208806 728208308 /nfs/dbraw/zinc/20/83/08/728208308.db2.gz CBTCKHCBKYHIIE-WPRPVWTQSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000106893526 728513370 /nfs/dbraw/zinc/51/33/70/728513370.db2.gz MJCFUGXYKVNIDW-CYBMUJFWSA-N -1 1 354.334 2.839 20 5 FFBDMM CCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000119725370 728599287 /nfs/dbraw/zinc/59/92/87/728599287.db2.gz GGYGOWNBXBSIGO-UHFFFAOYSA-N -1 1 360.388 2.673 20 5 FFBDMM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000134493393 728730532 /nfs/dbraw/zinc/73/05/32/728730532.db2.gz GVGJUWZFQLXCBV-CQSZACIVSA-N -1 1 370.814 2.569 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000173676841 729052287 /nfs/dbraw/zinc/05/22/87/729052287.db2.gz PRFKKMXNFOHRNZ-JTQLQIEISA-N -1 1 372.349 2.619 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000195142082 729530288 /nfs/dbraw/zinc/53/02/88/729530288.db2.gz QQEHTLBICGOXBJ-ZDUSSCGKSA-N -1 1 366.370 2.926 20 5 FFBDMM COC(=O)c1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC000780075987 738514595 /nfs/dbraw/zinc/51/45/95/738514595.db2.gz OHCZBMJLNXSVGN-UHFFFAOYSA-N -1 1 351.336 2.814 20 5 FFBDMM Cc1noc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000879448498 732703906 /nfs/dbraw/zinc/70/39/06/732703906.db2.gz VRDMJMKVYJRVLD-UHFFFAOYSA-N -1 1 366.805 2.568 20 5 FFBDMM C[C@H]1CNc2c([N-]c3ncc(Br)cc3[N+](=O)[O-])cnn2C1 ZINC000894951322 734942212 /nfs/dbraw/zinc/94/22/12/734942212.db2.gz LZDIYTTUGVCCDF-ZETCQYMHSA-N -1 1 353.180 2.754 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000769045518 737488930 /nfs/dbraw/zinc/48/89/30/737488930.db2.gz GWVVNMOGYCNPEY-NSHDSACASA-N -1 1 350.371 2.542 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOc1ccccc1F ZINC000918193578 737798086 /nfs/dbraw/zinc/79/80/86/737798086.db2.gz CQWFXEDFPDAKSR-UHFFFAOYSA-N -1 1 372.349 2.620 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1 ZINC000921718063 738031764 /nfs/dbraw/zinc/03/17/64/738031764.db2.gz UAWBFAPOUWLXFT-DTWKUNHWSA-N -1 1 350.849 2.811 20 5 FFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C(=O)[O-] ZINC000923263381 738263210 /nfs/dbraw/zinc/26/32/10/738263210.db2.gz MFEWSFAUUXVFRR-SKDRFNHKSA-N -1 1 357.204 2.900 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795381972 740013905 /nfs/dbraw/zinc/01/39/05/740013905.db2.gz RXZFRWWSWIBNTB-SNVBAGLBSA-N -1 1 354.359 2.896 20 5 FFBDMM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000797843722 740279521 /nfs/dbraw/zinc/27/95/21/740279521.db2.gz PTJDDROTENGJCZ-UHFFFAOYSA-N -1 1 355.803 2.684 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccccn1 ZINC000798224354 740314063 /nfs/dbraw/zinc/31/40/63/740314063.db2.gz FVLBEYSIWGXACI-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000808328116 741212912 /nfs/dbraw/zinc/21/29/12/741212912.db2.gz LJUZUKAKDJVDMV-NSHDSACASA-N -1 1 356.297 2.662 20 5 FFBDMM CCOCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809385767 741304445 /nfs/dbraw/zinc/30/44/45/741304445.db2.gz MNUVKSDVJHHXBI-UHFFFAOYSA-N -1 1 357.215 2.607 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000809827762 741349866 /nfs/dbraw/zinc/34/98/66/741349866.db2.gz DMIIMBUPNIZQBS-ZYHUDNBSSA-N -1 1 366.798 2.623 20 5 FFBDMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831496 741350628 /nfs/dbraw/zinc/35/06/28/741350628.db2.gz FGKRKYFYKHWIHN-UFUPEUMYSA-N -1 1 369.226 2.507 20 5 FFBDMM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809844372 741353324 /nfs/dbraw/zinc/35/33/24/741353324.db2.gz YKRPWCIZOFALDP-UHFFFAOYSA-N -1 1 373.793 2.823 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC000815016804 741883111 /nfs/dbraw/zinc/88/31/11/741883111.db2.gz QHVONQXCYMTJBM-UHFFFAOYSA-N -1 1 360.750 2.571 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCNc1ccccc1 ZINC000815026438 741885316 /nfs/dbraw/zinc/88/53/16/741885316.db2.gz RAXJVDKUPNHNKD-UHFFFAOYSA-N -1 1 373.793 2.778 20 5 FFBDMM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831501505 745539204 /nfs/dbraw/zinc/53/92/04/745539204.db2.gz OPLIHSWVBKYUHS-HTRCEHHLSA-N -1 1 371.267 2.931 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)COC1 ZINC000832488499 745706922 /nfs/dbraw/zinc/70/69/22/745706922.db2.gz OAIMZBNCVDFRNQ-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000845979779 748371174 /nfs/dbraw/zinc/37/11/74/748371174.db2.gz PPOMMEXOMYTDKQ-HNNXBMFYSA-N -1 1 374.846 2.732 20 5 FFBDMM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845988862 748376029 /nfs/dbraw/zinc/37/60/29/748376029.db2.gz BLKOZJUPSIVTKB-ZYHUDNBSSA-N -1 1 366.798 2.623 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000849456979 749162217 /nfs/dbraw/zinc/16/22/17/749162217.db2.gz GXSYCNZWUAGRJG-AULYBMBSSA-N -1 1 366.370 2.622 20 5 FFBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000849460482 749165082 /nfs/dbraw/zinc/16/50/82/749165082.db2.gz LYRCWYFDGUMJRV-DTWKUNHWSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001605085001 972730904 /nfs/dbraw/zinc/73/09/04/972730904.db2.gz RBWPNAZGPNYODA-ZIAGYGMSSA-N -1 1 363.414 2.807 20 5 FFBDMM CC(C)c1ccc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1[N+](=O)[O-] ZINC001591954079 976522062 /nfs/dbraw/zinc/52/20/62/976522062.db2.gz ISVLAEQNQOCMHU-UHFFFAOYSA-N -1 1 373.413 2.845 20 5 FFBDMM CCOc1cc(CN2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001597031571 986450269 /nfs/dbraw/zinc/45/02/69/986450269.db2.gz LVGCDFONYBSABH-DUUDNCRHSA-N -1 1 364.398 2.589 20 5 FFBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc(C)n1 ZINC001212219241 990102856 /nfs/dbraw/zinc/10/28/56/990102856.db2.gz CHFQBESEKRYAMG-UHFFFAOYSA-N -1 1 373.793 2.878 20 5 FFBDMM COc1ccc(OC)c(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001599602201 993831958 /nfs/dbraw/zinc/83/19/58/993831958.db2.gz JJSYXYNYVUTHGE-SFHVURJKSA-N -1 1 360.366 2.702 20 5 FFBDMM C[C@](NCc1cccc2[nH]c(=O)oc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303597 994736193 /nfs/dbraw/zinc/73/61/93/994736193.db2.gz HIUOKPBCRSHGBT-QGZVFWFLSA-N -1 1 357.322 2.531 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F ZINC000769049753 1000413864 /nfs/dbraw/zinc/41/38/64/1000413864.db2.gz VVYJGPUYYYVTOK-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000769050461 1000424006 /nfs/dbraw/zinc/42/40/06/1000424006.db2.gz WUKFLWWBVQBGRZ-SNVBAGLBSA-N -1 1 362.313 2.932 20 5 FFBDMM O=C1[C@@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000804387828 1003633970 /nfs/dbraw/zinc/63/39/70/1003633970.db2.gz HJTAILCAIBPQBC-ZDUSSCGKSA-N -1 1 356.338 2.716 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C)c3ccccc23)c([N+](=O)[O-])n1 ZINC001191372755 1003804103 /nfs/dbraw/zinc/80/41/03/1003804103.db2.gz UEDLRICJLMECDA-UHFFFAOYSA-N -1 1 374.422 2.751 20 5 FFBDMM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000780067858 1019361682 /nfs/dbraw/zinc/36/16/82/1019361682.db2.gz IFWHQBUSOCLNOY-JTQLQIEISA-N -1 1 362.313 2.932 20 5 FFBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc([O-])c1Br ZINC001141219127 1025625239 /nfs/dbraw/zinc/62/52/39/1025625239.db2.gz QYBMUUMVQPFBNT-UHFFFAOYSA-N -1 1 369.175 2.597 20 5 FFBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc([N+](=O)[O-])ncc1Br ZINC001161179714 1028050468 /nfs/dbraw/zinc/05/04/68/1028050468.db2.gz QNOKVGSXQBCSRW-UHFFFAOYSA-N -1 1 373.550 2.759 20 5 FFBDMM O=C(OCc1ccn(-c2ccccc2F)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000782295594 1029646887 /nfs/dbraw/zinc/64/68/87/1029646887.db2.gz MXPXWOFOVSFVDO-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[n-]c1Cl ZINC001535553704 1069834604 /nfs/dbraw/zinc/83/46/04/1069834604.db2.gz CJRBDLPAUDKICW-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM O=[N+]([O-])c1ccccc1N1CCC(Oc2[n-]c(=S)ncc2F)CC1 ZINC001227385099 1035525114 /nfs/dbraw/zinc/52/51/14/1035525114.db2.gz GNPKTBVGCVLOFN-UHFFFAOYSA-N -1 1 350.375 2.860 20 5 FFBDMM COc1ccc(COc2nc[n-]c(=O)c2[N+](=O)[O-])cc1OC1CCCC1 ZINC001228145088 1035960227 /nfs/dbraw/zinc/96/02/27/1035960227.db2.gz ZEXHBXAFZINJEY-UHFFFAOYSA-N -1 1 361.354 2.999 20 5 FFBDMM C[C@@H]1COCC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234127799 1036930652 /nfs/dbraw/zinc/93/06/52/1036930652.db2.gz IPGVJVJEQBPXCC-NOZJJQNGSA-N -1 1 358.346 2.867 20 5 FFBDMM O=c1c2ccc(O)c(O[C@@H]3CCOC[C@H]3F)c2oc2cc([O-])cc(O)c12 ZINC001234749186 1037166882 /nfs/dbraw/zinc/16/68/82/1037166882.db2.gz MLMGXXOTCSRHLQ-ZWNOBZJWSA-N -1 1 362.309 2.569 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@@H]4CCCO4)cc3c(=O)c12 ZINC001234802630 1037185533 /nfs/dbraw/zinc/18/55/33/1037185533.db2.gz ZRRIIDUITCQZEC-NSHDSACASA-N -1 1 358.346 2.924 20 5 FFBDMM COC(=O)[C@@H]1CC[C@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234878196 1037221070 /nfs/dbraw/zinc/22/10/70/1037221070.db2.gz SOTJVLKFDBZSSL-APPZFPTMSA-N -1 1 360.160 2.783 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001230792433 1037362145 /nfs/dbraw/zinc/36/21/45/1037362145.db2.gz QEELZPBVCGZAQM-UHFFFAOYSA-N -1 1 365.773 2.962 20 5 FFBDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC001320695519 1045450389 /nfs/dbraw/zinc/45/03/89/1045450389.db2.gz BZFIFQZTNYCCRP-UHFFFAOYSA-N -1 1 372.349 2.669 20 5 FFBDMM CC(C)(C)Oc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001320838905 1045478476 /nfs/dbraw/zinc/47/84/76/1045478476.db2.gz QITRWYJMUMXFRJ-UHFFFAOYSA-N -1 1 359.382 2.845 20 5 FFBDMM CCOC(=O)c1cc(C(=O)[N-]c2nc(C(C)C)ns2)cc([N+](=O)[O-])c1 ZINC001288566258 1047479443 /nfs/dbraw/zinc/47/94/43/1047479443.db2.gz UHCOXZGQJCDSIJ-UHFFFAOYSA-N -1 1 364.383 2.999 20 5 FFBDMM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001329899563 1048960221 /nfs/dbraw/zinc/96/02/21/1048960221.db2.gz WHDLXUZRKPXKSX-HTQZYQBOSA-N -1 1 369.226 2.747 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)F)c(C(F)(F)F)c1 ZINC001334307474 1049361856 /nfs/dbraw/zinc/36/18/56/1049361856.db2.gz DJUYZLALVPCLLW-UHFFFAOYSA-N -1 1 362.276 2.937 20 5 FFBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001295350700 1049918048 /nfs/dbraw/zinc/91/80/48/1049918048.db2.gz KHDLRLGEXMJRRH-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC001309043209 1052544720 /nfs/dbraw/zinc/54/47/20/1052544720.db2.gz GAISYEMUAOOSPM-VIFPVBQESA-N -1 1 373.337 2.631 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1C ZINC001444211077 1058282245 /nfs/dbraw/zinc/28/22/45/1058282245.db2.gz QNDILYBFEFMCAK-UHFFFAOYSA-N -1 1 368.353 2.556 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)cc1F ZINC001475237297 1061012171 /nfs/dbraw/zinc/01/21/71/1061012171.db2.gz NGKGLDYIQZUGOO-NSHDSACASA-N -1 1 362.423 2.508 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCCO1 ZINC001475540841 1061133298 /nfs/dbraw/zinc/13/32/98/1061133298.db2.gz XOXDQYFOCYIZNQ-HIFRSBDPSA-N -1 1 374.846 2.874 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@]2(C)C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001475644428 1061179985 /nfs/dbraw/zinc/17/99/85/1061179985.db2.gz KNJBOSWAOGFLPB-IAQYHMDHSA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])s1 ZINC001464030909 1062390161 /nfs/dbraw/zinc/39/01/61/1062390161.db2.gz YGXUZXAYDKWZPK-WDEREUQCSA-N -1 1 356.828 2.948 20 5 FFBDMM O=[N+]([O-])c1c(N[C@@H]2CCN(c3ccccc3F)C2)cccc1-c1nnn[n-]1 ZINC001582802294 1079108516 /nfs/dbraw/zinc/10/85/16/1079108516.db2.gz OFHCXHDPPGPHKP-LLVKDONJSA-N -1 1 369.360 2.605 20 5 FFBDMM O=[N+]([O-])c1c(N[C@@H]2CCN(c3ccccc3F)C2)cccc1-c1nn[n-]n1 ZINC001582802294 1079108518 /nfs/dbraw/zinc/10/85/18/1079108518.db2.gz OFHCXHDPPGPHKP-LLVKDONJSA-N -1 1 369.360 2.605 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1nnccc1-c1nnn[n-]1 ZINC001582803671 1079110329 /nfs/dbraw/zinc/11/03/29/1079110329.db2.gz PTMXUFOUPYNNLF-UHFFFAOYSA-N -1 1 354.113 2.664 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1nnccc1-c1nn[n-]n1 ZINC001582803671 1079110333 /nfs/dbraw/zinc/11/03/33/1079110333.db2.gz PTMXUFOUPYNNLF-UHFFFAOYSA-N -1 1 354.113 2.664 20 5 FFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603254 1076043746 /nfs/dbraw/zinc/04/37/46/1076043746.db2.gz MLFRCRNWBBIIDC-SECBINFHSA-N -1 1 362.411 2.654 20 5 FFBDMM CC(=O)N(C)c1cccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001588801933 1080202778 /nfs/dbraw/zinc/20/27/78/1080202778.db2.gz JHCHNNNSUHWZKO-UHFFFAOYSA-N -1 1 353.342 2.501 20 5 FFBDMM CC(=O)Nc1cccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001589210486 1080420584 /nfs/dbraw/zinc/42/05/84/1080420584.db2.gz PMRVOAKZBLTIFW-GOSISDBHSA-N -1 1 357.366 2.643 20 5 FFBDMM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801610 1080756897 /nfs/dbraw/zinc/75/68/97/1080756897.db2.gz OXIJDNNSDCLVCS-CBAPKCEASA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801610 1080756907 /nfs/dbraw/zinc/75/69/07/1080756907.db2.gz OXIJDNNSDCLVCS-CBAPKCEASA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803280 1080759656 /nfs/dbraw/zinc/75/96/56/1080759656.db2.gz MMBFPUCNSSNMJQ-HWPZZCPQSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803280 1080759666 /nfs/dbraw/zinc/75/96/66/1080759666.db2.gz MMBFPUCNSSNMJQ-HWPZZCPQSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803281 1080760201 /nfs/dbraw/zinc/76/02/01/1080760201.db2.gz MMBFPUCNSSNMJQ-MGPLVRAMSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803281 1080760206 /nfs/dbraw/zinc/76/02/06/1080760206.db2.gz MMBFPUCNSSNMJQ-MGPLVRAMSA-N -1 1 372.360 2.838 20 5 FFBDMM CC1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])Cc2ccccc2O1 ZINC001590108184 1081018863 /nfs/dbraw/zinc/01/88/63/1081018863.db2.gz RFVMKCDFPRCDCM-UHFFFAOYSA-N -1 1 366.381 2.953 20 5 FFBDMM CC1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])Cc2ccccc2O1 ZINC001590108184 1081018873 /nfs/dbraw/zinc/01/88/73/1081018873.db2.gz RFVMKCDFPRCDCM-UHFFFAOYSA-N -1 1 366.381 2.953 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)[n-]1 ZINC000272616256 252080630 /nfs/dbraw/zinc/08/06/30/252080630.db2.gz HZQHBHHOZOIZBN-AWEZNQCLSA-N -1 1 355.354 2.546 20 5 FFBDMM O=C([N-]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1)C(F)(F)F ZINC000289481129 257283414 /nfs/dbraw/zinc/28/34/14/257283414.db2.gz OBVBZNJBQLAHKE-NSHDSACASA-N -1 1 363.311 2.624 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)s1 ZINC000065265146 506277476 /nfs/dbraw/zinc/27/74/76/506277476.db2.gz NSTHJHCAQINHAS-UHFFFAOYSA-N -1 1 364.351 2.736 20 5 FFBDMM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066279086 506466502 /nfs/dbraw/zinc/46/65/02/506466502.db2.gz ZNWFVHRHJDMFMJ-UHFFFAOYSA-N -1 1 350.356 2.593 20 5 FFBDMM CC(C)n1c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000066639162 506590259 /nfs/dbraw/zinc/59/02/59/506590259.db2.gz KTIBJEAJFVQVCN-UHFFFAOYSA-N -1 1 364.431 2.548 20 5 FFBDMM CCCc1cc(=O)[n-]c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000011438387 506777351 /nfs/dbraw/zinc/77/73/51/506777351.db2.gz WZTITAPUTPBXAY-UHFFFAOYSA-N -1 1 362.411 2.798 20 5 FFBDMM Cn1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)n[n-]c1=S ZINC000068428987 507228781 /nfs/dbraw/zinc/22/87/81/507228781.db2.gz VGLQLNLPZOCUKS-UHFFFAOYSA-N -1 1 365.390 2.545 20 5 FFBDMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031809422 507821899 /nfs/dbraw/zinc/82/18/99/507821899.db2.gz BIFHJUNWWMAFMV-UHFFFAOYSA-N -1 1 353.338 2.712 20 5 FFBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000084938000 508298431 /nfs/dbraw/zinc/29/84/31/508298431.db2.gz XAZDGTZUYVCPCC-UHFFFAOYSA-N -1 1 362.363 2.698 20 5 FFBDMM O=C([O-])CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000116391636 508506593 /nfs/dbraw/zinc/50/65/93/508506593.db2.gz HWOSVMWNDCFARO-UHFFFAOYSA-N -1 1 361.320 2.600 20 5 FFBDMM CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C ZINC000157379434 508559442 /nfs/dbraw/zinc/55/94/42/508559442.db2.gz VBEVONQMTWLZSA-UHFFFAOYSA-N -1 1 368.415 2.715 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000135963595 508661601 /nfs/dbraw/zinc/66/16/01/508661601.db2.gz OPCFAWSYKPTEMC-UHFFFAOYSA-N -1 1 360.351 2.754 20 5 FFBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)ccc12 ZINC000119421062 508792871 /nfs/dbraw/zinc/79/28/71/508792871.db2.gz KENBAAMDLMYLOJ-UHFFFAOYSA-N -1 1 352.397 2.950 20 5 FFBDMM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155031096 508907760 /nfs/dbraw/zinc/90/77/60/508907760.db2.gz LTNZVXVKAAYZGS-ZDUSSCGKSA-N -1 1 364.851 2.570 20 5 FFBDMM Nc1c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000160559431 509002841 /nfs/dbraw/zinc/00/28/41/509002841.db2.gz XQOWWCVUWFYMRQ-UHFFFAOYSA-N -1 1 369.377 2.618 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000126833893 509135028 /nfs/dbraw/zinc/13/50/28/509135028.db2.gz RBKPSTWYLUCWFZ-UHFFFAOYSA-N -1 1 367.365 2.592 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121463844 509175133 /nfs/dbraw/zinc/17/51/33/509175133.db2.gz SPHFGMHHKICIPA-CYBMUJFWSA-N -1 1 370.814 2.650 20 5 FFBDMM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000188633922 509183954 /nfs/dbraw/zinc/18/39/54/509183954.db2.gz YFTBKDKLQJKFTK-GFCCVEGCSA-N -1 1 355.272 2.771 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1[N+](=O)[O-] ZINC000191798233 509186092 /nfs/dbraw/zinc/18/60/92/509186092.db2.gz AMQSHICLACLWFI-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)n1 ZINC000173466931 509619586 /nfs/dbraw/zinc/61/95/86/509619586.db2.gz WCWLKCNHBKRBNA-CYBMUJFWSA-N -1 1 371.415 2.928 20 5 FFBDMM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193463481 509925226 /nfs/dbraw/zinc/92/52/26/509925226.db2.gz OMJPPBFLMYUQKU-XJKSGUPXSA-N -1 1 357.366 2.593 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000186905866 509941344 /nfs/dbraw/zinc/94/13/44/509941344.db2.gz SILJNLBVVDSUAE-NSHDSACASA-N -1 1 368.349 2.856 20 5 FFBDMM CCO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000193542784 509957510 /nfs/dbraw/zinc/95/75/10/509957510.db2.gz WIWOQHJBIGWAOZ-GFCCVEGCSA-N -1 1 356.425 2.712 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000186940766 509964531 /nfs/dbraw/zinc/96/45/31/509964531.db2.gz FNFGHXUYXKEXEX-MRVPVSSYSA-N -1 1 353.281 2.788 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000187180519 510107555 /nfs/dbraw/zinc/10/75/55/510107555.db2.gz YRKMLFHQGCODPW-LBPRGKRZSA-N -1 1 356.382 2.787 20 5 FFBDMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171472894 510179578 /nfs/dbraw/zinc/17/95/78/510179578.db2.gz KVXDXUMPRYEZNL-SECBINFHSA-N -1 1 358.379 2.666 20 5 FFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177854381 510291064 /nfs/dbraw/zinc/29/10/64/510291064.db2.gz QEOUGOKMYFUICG-VIFPVBQESA-N -1 1 362.411 2.508 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000291934278 511397297 /nfs/dbraw/zinc/39/72/97/511397297.db2.gz MIZMAYYCDUEXHR-UHFFFAOYSA-N -1 1 373.818 2.894 20 5 FFBDMM O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298847722 511428738 /nfs/dbraw/zinc/42/87/38/511428738.db2.gz LJNQLTRCQADILR-UHFFFAOYSA-N -1 1 350.762 2.665 20 5 FFBDMM O=C(N[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1)c1ccccc1 ZINC000350353181 511788569 /nfs/dbraw/zinc/78/85/69/511788569.db2.gz MLFYDFIECJORIO-CQSZACIVSA-N -1 1 353.338 2.854 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(C)s1 ZINC000320449608 511813436 /nfs/dbraw/zinc/81/34/36/511813436.db2.gz MMTNWJNEXPLHLW-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM CCOc1ccccc1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350720663 511871628 /nfs/dbraw/zinc/87/16/28/511871628.db2.gz FUYQZMGVYUFDOZ-UHFFFAOYSA-N -1 1 357.326 2.553 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000327289325 511871574 /nfs/dbraw/zinc/87/15/74/511871574.db2.gz MEDHERJXTCCXKK-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM CC(F)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000297064753 512005745 /nfs/dbraw/zinc/00/57/45/512005745.db2.gz MOWBKPAPWCUEFL-UHFFFAOYSA-N -1 1 362.276 2.937 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)c1 ZINC000374720492 512971248 /nfs/dbraw/zinc/97/12/48/512971248.db2.gz QHNPELJROKPGPV-UHFFFAOYSA-N -1 1 374.382 2.796 20 5 FFBDMM CSCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000451706735 513928002 /nfs/dbraw/zinc/92/80/02/513928002.db2.gz KNJVCRWYLDZBIH-UHFFFAOYSA-N -1 1 350.487 2.856 20 5 FFBDMM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000443466201 513976592 /nfs/dbraw/zinc/97/65/92/513976592.db2.gz YXVYFBPYDDRHFW-UHFFFAOYSA-N -1 1 368.342 2.795 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000451962658 514098685 /nfs/dbraw/zinc/09/86/85/514098685.db2.gz XIIQRDVZVUFXAV-UHFFFAOYSA-N -1 1 353.400 2.631 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437308494 514137307 /nfs/dbraw/zinc/13/73/07/514137307.db2.gz UXYDDUFWLCQQFO-YHAQOWFVSA-N -1 1 368.436 2.888 20 5 FFBDMM CN(Cc1cc(Br)cs1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444852128 514351153 /nfs/dbraw/zinc/35/11/53/514351153.db2.gz AMFDURDTEJKJAY-UHFFFAOYSA-N -1 1 372.200 2.792 20 5 FFBDMM COc1cc(-c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)cc(Cl)c1[O-] ZINC000445605248 514498589 /nfs/dbraw/zinc/49/85/89/514498589.db2.gz RYSUJEQVEWFUMT-UHFFFAOYSA-N -1 1 365.733 2.721 20 5 FFBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000479557904 514630328 /nfs/dbraw/zinc/63/03/28/514630328.db2.gz YSXATEDQOTVWPJ-UHFFFAOYSA-N -1 1 370.358 2.860 20 5 FFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000508246259 514721758 /nfs/dbraw/zinc/72/17/58/514721758.db2.gz JCNBNFRTCRCAKN-UHFFFAOYSA-N -1 1 371.806 2.743 20 5 FFBDMM CSc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471126257 514762931 /nfs/dbraw/zinc/76/29/31/514762931.db2.gz WVFDGVHRFUDGRQ-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000484956688 514855479 /nfs/dbraw/zinc/85/54/79/514855479.db2.gz YFVVOWZVXJFEKA-UHFFFAOYSA-N -1 1 350.253 2.943 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc([N+](=O)[O-])c1 ZINC000485227590 514966106 /nfs/dbraw/zinc/96/61/06/514966106.db2.gz GHYNKVSTMPXXIZ-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000468381568 515333342 /nfs/dbraw/zinc/33/33/42/515333342.db2.gz XQGBJCBEDCSFKY-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000481950442 515524810 /nfs/dbraw/zinc/52/48/10/515524810.db2.gz BFXUIPOSXSZTPE-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000505768736 515663719 /nfs/dbraw/zinc/66/37/19/515663719.db2.gz YZBSQLZDZFTJCO-UHFFFAOYSA-N -1 1 351.322 2.823 20 5 FFBDMM Cc1nc2cc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2n1C1CC1 ZINC000510776642 515665716 /nfs/dbraw/zinc/66/57/16/515665716.db2.gz HYGCJOMPKMCNMD-UHFFFAOYSA-N -1 1 367.365 2.618 20 5 FFBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000482582284 515726919 /nfs/dbraw/zinc/72/69/19/515726919.db2.gz VYGCVUFGWJNIMD-UHFFFAOYSA-N -1 1 354.160 2.962 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c([N+](=O)[O-])n1 ZINC000494410267 515835099 /nfs/dbraw/zinc/83/50/99/515835099.db2.gz JIBOTOMORBDHRY-UHFFFAOYSA-N -1 1 364.427 2.557 20 5 FFBDMM CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cn1 ZINC000478678996 515920550 /nfs/dbraw/zinc/92/05/50/515920550.db2.gz IYFYGROFNYZLMU-SECBINFHSA-N -1 1 366.399 2.713 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3cccnc32)s1 ZINC000512766605 516352088 /nfs/dbraw/zinc/35/20/88/516352088.db2.gz HUCATZHAFMISBM-UHFFFAOYSA-N -1 1 363.420 2.726 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000524549202 516751032 /nfs/dbraw/zinc/75/10/32/516751032.db2.gz QEZBJELRLVPDBJ-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461990 516935044 /nfs/dbraw/zinc/93/50/44/516935044.db2.gz AWZRCWGJGDQGCO-QRWLVFNGSA-N -1 1 372.421 2.843 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000525186386 516951119 /nfs/dbraw/zinc/95/11/19/516951119.db2.gz VTRFFQAYPAKXBI-HUUCEWRRSA-N -1 1 361.423 2.995 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000525188975 516952265 /nfs/dbraw/zinc/95/22/65/516952265.db2.gz LOYLFHKHFAHWGP-KCJUWKMLSA-N -1 1 371.777 2.617 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000541804827 517223543 /nfs/dbraw/zinc/22/35/43/517223543.db2.gz OFZZCCQKBLCKCL-UHFFFAOYSA-N -1 1 350.396 2.813 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000520968660 517563408 /nfs/dbraw/zinc/56/34/08/517563408.db2.gz CZKZPZOIRSLSPQ-AWEZNQCLSA-N -1 1 374.422 2.941 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000516806365 517850561 /nfs/dbraw/zinc/85/05/61/517850561.db2.gz GGXGJQOQTYDBCW-UHFFFAOYSA-N -1 1 367.770 2.868 20 5 FFBDMM CC(C)(C)CCOc1cnccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000564033475 518275759 /nfs/dbraw/zinc/27/57/59/518275759.db2.gz VYNYNZBOKOOTQN-UHFFFAOYSA-N -1 1 374.397 2.835 20 5 FFBDMM COc1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000564965765 518719251 /nfs/dbraw/zinc/71/92/51/518719251.db2.gz UXVSKQAIBSLMKM-NXEZZACHSA-N -1 1 374.340 2.890 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000590056644 519139457 /nfs/dbraw/zinc/13/94/57/519139457.db2.gz RGNMBRNEBSXVBJ-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)c(C)cc3c2)cc1[N+](=O)[O-] ZINC000590597812 519281733 /nfs/dbraw/zinc/28/17/33/519281733.db2.gz YTBSIGRSNNRYMQ-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000574892951 519388532 /nfs/dbraw/zinc/38/85/32/519388532.db2.gz OMAWKKIEMXYDSJ-GJZGRUSLSA-N -1 1 361.423 2.995 20 5 FFBDMM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000566295147 519418608 /nfs/dbraw/zinc/41/86/08/519418608.db2.gz OXOALWYVDMPOSX-LBPRGKRZSA-N -1 1 356.382 2.547 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)cc1[N+](=O)[O-] ZINC000594706752 520103344 /nfs/dbraw/zinc/10/33/44/520103344.db2.gz WFLAOWRKOWORPH-MRXNPFEDSA-N -1 1 372.443 2.940 20 5 FFBDMM O=C(Nc1cc(F)ccc1NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609324307 520278268 /nfs/dbraw/zinc/27/82/68/520278268.db2.gz FGYATFKBMPYPGX-UHFFFAOYSA-N -1 1 369.312 2.962 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCC1CC1 ZINC000609899224 520474724 /nfs/dbraw/zinc/47/47/24/520474724.db2.gz JLPPBOQZSHBKAI-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM Cc1cc(=O)[nH]c(C(C)(C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000595524910 520528675 /nfs/dbraw/zinc/52/86/75/520528675.db2.gz AKARWANDTCUGCM-UHFFFAOYSA-N -1 1 373.413 2.561 20 5 FFBDMM CC(C)(Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262622 520609208 /nfs/dbraw/zinc/60/92/08/520609208.db2.gz ALCKXOBJNVGPRR-UHFFFAOYSA-N -1 1 369.830 2.943 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000611104916 520987360 /nfs/dbraw/zinc/98/73/60/520987360.db2.gz VGJCIJPCTCZCMZ-CYBMUJFWSA-N -1 1 352.416 2.549 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCN(c3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000826498888 607452225 /nfs/dbraw/zinc/45/22/25/607452225.db2.gz NKPJBERMVVFMEI-ZDUSSCGKSA-N -1 1 365.397 2.713 20 5 FFBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCN(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000826498888 607452226 /nfs/dbraw/zinc/45/22/26/607452226.db2.gz NKPJBERMVVFMEI-ZDUSSCGKSA-N -1 1 365.397 2.713 20 5 FFBDMM O=C([O-])CCC1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000833225931 601841875 /nfs/dbraw/zinc/84/18/75/601841875.db2.gz VDAVPKAQDKPEIG-UHFFFAOYSA-N -1 1 360.370 2.722 20 5 FFBDMM O=[N+]([O-])c1ccccc1CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CC1 ZINC000826500308 607562431 /nfs/dbraw/zinc/56/24/31/607562431.db2.gz SWNYVQIECQMDOC-UHFFFAOYSA-N -1 1 371.788 2.992 20 5 FFBDMM O=[N+]([O-])c1ccccc1CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CC1 ZINC000826500308 607562433 /nfs/dbraw/zinc/56/24/33/607562433.db2.gz SWNYVQIECQMDOC-UHFFFAOYSA-N -1 1 371.788 2.992 20 5 FFBDMM O=[N+]([O-])c1cc(N2CCC(c3ccc(O)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634963 606645243 /nfs/dbraw/zinc/64/52/43/606645243.db2.gz OZBRQYHMHZKIPG-UHFFFAOYSA-N -1 1 366.381 2.865 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2c1cccc2Cl ZINC000823619773 606702042 /nfs/dbraw/zinc/70/20/42/606702042.db2.gz AZOIVNNSEFWSAZ-GFCCVEGCSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2c1cccc2Cl ZINC000823619773 606702043 /nfs/dbraw/zinc/70/20/43/606702043.db2.gz AZOIVNNSEFWSAZ-GFCCVEGCSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccccc2)CCC1 ZINC000823620258 607166545 /nfs/dbraw/zinc/16/65/45/607166545.db2.gz JEQULNCOSSMDOJ-UHFFFAOYSA-N -1 1 351.370 2.704 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccccc2)CCC1 ZINC000823620258 607166546 /nfs/dbraw/zinc/16/65/46/607166546.db2.gz JEQULNCOSSMDOJ-UHFFFAOYSA-N -1 1 351.370 2.704 20 5 FFBDMM CCOc1cccc([C@@H]2C[C@@H]2Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000825649338 608588713 /nfs/dbraw/zinc/58/87/13/608588713.db2.gz PJRBCYKSUVVUDY-KBPBESRZSA-N -1 1 367.369 2.537 20 5 FFBDMM CCOc1cccc([C@@H]2C[C@@H]2Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000825649338 608588715 /nfs/dbraw/zinc/58/87/15/608588715.db2.gz PJRBCYKSUVVUDY-KBPBESRZSA-N -1 1 367.369 2.537 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000743261498 735286172 /nfs/dbraw/zinc/28/61/72/735286172.db2.gz FDPNBWRKRIMQPT-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000106893529 728513320 /nfs/dbraw/zinc/51/33/20/728513320.db2.gz MJCFUGXYKVNIDW-ZDUSSCGKSA-N -1 1 354.334 2.839 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000108874942 728522847 /nfs/dbraw/zinc/52/28/47/728522847.db2.gz JFKBCHRMYHEZPD-NSHDSACASA-N -1 1 366.370 2.579 20 5 FFBDMM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119455078 728594662 /nfs/dbraw/zinc/59/46/62/728594662.db2.gz VQZDBFGLYMVWJW-VIFPVBQESA-N -1 1 369.424 2.654 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178911024 729173153 /nfs/dbraw/zinc/17/31/53/729173153.db2.gz ODRHCNGTERMPES-UHFFFAOYSA-N -1 1 355.803 2.554 20 5 FFBDMM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194348379 729507929 /nfs/dbraw/zinc/50/79/29/729507929.db2.gz PDLXHWRERGQYDW-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000732308856 734732283 /nfs/dbraw/zinc/73/22/83/734732283.db2.gz DYJNHVCQHPQNTI-UHFFFAOYSA-N -1 1 350.714 2.977 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCNc1ccccc1 ZINC000760595471 736653610 /nfs/dbraw/zinc/65/36/10/736653610.db2.gz GXRAIAYAMGJNFR-UHFFFAOYSA-N -1 1 355.803 2.639 20 5 FFBDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000763086937 736900710 /nfs/dbraw/zinc/90/07/10/736900710.db2.gz SODKVSKXGUNCBT-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM Cc1cc(C)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000768881234 737471412 /nfs/dbraw/zinc/47/14/12/737471412.db2.gz IICXNUWZDPSZSL-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM CC(C)CCC[C@H](C)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769050332 737489858 /nfs/dbraw/zinc/48/98/58/737489858.db2.gz SXWNJCXSRPPXHT-LBPRGKRZSA-N -1 1 352.387 2.788 20 5 FFBDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)[n-]1 ZINC000770284113 737612301 /nfs/dbraw/zinc/61/23/01/737612301.db2.gz VXJYXQSHFLPMIU-UHFFFAOYSA-N -1 1 362.367 2.757 20 5 FFBDMM CC(C)c1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)c[n-]1 ZINC000770284113 737612304 /nfs/dbraw/zinc/61/23/04/737612304.db2.gz VXJYXQSHFLPMIU-UHFFFAOYSA-N -1 1 362.367 2.757 20 5 FFBDMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000775741504 738120454 /nfs/dbraw/zinc/12/04/54/738120454.db2.gz RUKHYEREOOASOJ-ZEGGKSINSA-N -1 1 362.835 2.586 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2sccc2S(C)(=O)=O)c1F ZINC000788125799 739209317 /nfs/dbraw/zinc/20/93/17/739209317.db2.gz AZZJVPBKFSUVQW-UHFFFAOYSA-N -1 1 358.372 2.760 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795380696 740013655 /nfs/dbraw/zinc/01/36/55/740013655.db2.gz MSESIVNKTKINNH-VIFPVBQESA-N -1 1 370.358 2.597 20 5 FFBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000813762762 741760582 /nfs/dbraw/zinc/76/05/82/741760582.db2.gz QADSTBOSYGVBLO-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845984390 748373588 /nfs/dbraw/zinc/37/35/88/748373588.db2.gz WSMCWOZEAXEHBF-RYUDHWBXSA-N -1 1 354.762 2.717 20 5 FFBDMM O=C([N-]Cc1nnc(C2CC2)s1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592220 748969038 /nfs/dbraw/zinc/96/90/38/748969038.db2.gz SFYOKTGJBCUKLG-UHFFFAOYSA-N -1 1 370.337 2.612 20 5 FFBDMM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(F)F ZINC000851819888 749687377 /nfs/dbraw/zinc/68/73/77/749687377.db2.gz LKADFVUKEMGDSK-JTQLQIEISA-N -1 1 354.762 2.818 20 5 FFBDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000047671249 845149821 /nfs/dbraw/zinc/14/98/21/845149821.db2.gz TZGIRKPVRXXDBU-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM CCOc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000053670767 845281205 /nfs/dbraw/zinc/28/12/05/845281205.db2.gz UVHZMAVJNYDKLE-UHFFFAOYSA-N -1 1 354.359 2.611 20 5 FFBDMM CCN(C)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001596194344 983576878 /nfs/dbraw/zinc/57/68/78/983576878.db2.gz JUNROPGRDOYDFX-GOSISDBHSA-N -1 1 358.398 2.536 20 5 FFBDMM CCOc1cc(CN2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001597031578 986450225 /nfs/dbraw/zinc/45/02/25/986450225.db2.gz LVGCDFONYBSABH-LCSDZXHASA-N -1 1 364.398 2.589 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC001212483094 987642186 /nfs/dbraw/zinc/64/21/86/987642186.db2.gz PWGMBTVTYACFBA-SNVBAGLBSA-N -1 1 355.803 2.725 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000921295637 991032800 /nfs/dbraw/zinc/03/28/00/991032800.db2.gz RMOBVRAPJGAMHD-UHFFFAOYSA-N -1 1 373.394 2.539 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001598988740 998717572 /nfs/dbraw/zinc/71/75/72/998717572.db2.gz SPPUKYUDYXLLDU-QGZVFWFLSA-N -1 1 372.377 2.914 20 5 FFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(F)ccc1[N+](=O)[O-] ZINC000743196960 999805655 /nfs/dbraw/zinc/80/56/55/999805655.db2.gz AFNWCESFHRSIQQ-UHFFFAOYSA-N -1 1 359.265 2.903 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N[C@H](c1ccccc1)C1CC1 ZINC000769050089 1000424422 /nfs/dbraw/zinc/42/44/22/1000424422.db2.gz ZFYYPZADEIAXBT-GOSISDBHSA-N -1 1 370.361 2.725 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787954021 1001734489 /nfs/dbraw/zinc/73/44/89/1001734489.db2.gz DDHFPLJMDIQGDX-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1F ZINC000790303358 1002331429 /nfs/dbraw/zinc/33/14/29/1002331429.db2.gz ATKFCLMBWLRRSB-UHFFFAOYSA-N -1 1 355.329 2.934 20 5 FFBDMM COc1cnc([C@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)[n-]c1=O ZINC001198478779 1004642752 /nfs/dbraw/zinc/64/27/52/1004642752.db2.gz JGAHUXXCCDZBJL-CYBMUJFWSA-N -1 1 366.324 2.714 20 5 FFBDMM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])s1 ZINC001189056750 1006876140 /nfs/dbraw/zinc/87/61/40/1006876140.db2.gz KFTNWHZTTDTHKZ-VIFPVBQESA-N -1 1 373.431 2.889 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)cc1F ZINC001190284760 1007572040 /nfs/dbraw/zinc/57/20/40/1007572040.db2.gz INBCAUKYRYCOCR-LLVKDONJSA-N -1 1 368.386 2.657 20 5 FFBDMM COc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cccc1[N+](=O)[O-] ZINC000796311879 1011810299 /nfs/dbraw/zinc/81/02/99/1011810299.db2.gz ZUSUHXPINMUTIF-UHFFFAOYSA-N -1 1 371.301 2.772 20 5 FFBDMM CCc1ccc(CN(C)C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780074495 1019523323 /nfs/dbraw/zinc/52/33/23/1019523323.db2.gz DYTILZHEEBTQQQ-UHFFFAOYSA-N -1 1 372.377 2.678 20 5 FFBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000780075330 1019594072 /nfs/dbraw/zinc/59/40/72/1019594072.db2.gz NQCCZBFLJRNFHX-LRDDRELGSA-N -1 1 364.398 2.883 20 5 FFBDMM COc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001137759805 1033034042 /nfs/dbraw/zinc/03/40/42/1033034042.db2.gz KVAAUJKNYSSNIJ-UHFFFAOYSA-N -1 1 366.333 2.810 20 5 FFBDMM Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000753503667 1023343331 /nfs/dbraw/zinc/34/33/31/1023343331.db2.gz RFMZUJNTWZXBES-OAHLLOKOSA-N -1 1 370.409 2.745 20 5 FFBDMM COc1cc(Cl)c(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1OC ZINC001212893223 1027202545 /nfs/dbraw/zinc/20/25/45/1027202545.db2.gz SBTFNFWQYRPLTO-UHFFFAOYSA-N -1 1 351.706 2.706 20 5 FFBDMM Cc1c(C)c([N+](=O)[O-])cnc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001157157575 1029484378 /nfs/dbraw/zinc/48/43/78/1029484378.db2.gz VBGDBNLHHLTVAS-UHFFFAOYSA-N -1 1 363.310 2.691 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664085 1034356803 /nfs/dbraw/zinc/35/68/03/1034356803.db2.gz JDDVUTNWCQVNKC-GFCCVEGCSA-N -1 1 365.386 2.864 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCOc2ccccc21 ZINC001226310662 1034624887 /nfs/dbraw/zinc/62/48/87/1034624887.db2.gz PSQISXADTONQST-ZDUSSCGKSA-N -1 1 360.322 2.775 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cc(C)cnc1F ZINC001226327031 1034631804 /nfs/dbraw/zinc/63/18/04/1034631804.db2.gz OZHQGGBSWCJCTD-VIFPVBQESA-N -1 1 365.317 2.855 20 5 FFBDMM COC(=O)[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700350 1035684364 /nfs/dbraw/zinc/68/43/64/1035684364.db2.gz PYYLGFHAWUPCMU-LLVKDONJSA-N -1 1 359.334 2.780 20 5 FFBDMM CC(C)CCOC(=O)[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228143652 1035958153 /nfs/dbraw/zinc/95/81/53/1035958153.db2.gz OZEBKABPNOPBGS-AWEZNQCLSA-N -1 1 361.354 2.800 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC001228809488 1036335389 /nfs/dbraw/zinc/33/53/89/1036335389.db2.gz GHAUNSSUBWTSGR-CQSZACIVSA-N -1 1 372.377 2.740 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3CCOC[C@@H]3F)c12 ZINC001234128279 1036931110 /nfs/dbraw/zinc/93/11/10/1036931110.db2.gz KZCDEHZRYDFVRL-JOYOIKCWSA-N -1 1 362.309 2.569 20 5 FFBDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234555846 1037084603 /nfs/dbraw/zinc/08/46/03/1037084603.db2.gz YJBIENRUNXVGNT-CYBMUJFWSA-N -1 1 373.365 2.547 20 5 FFBDMM C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1cncnc1 ZINC001234751200 1037166404 /nfs/dbraw/zinc/16/64/04/1037166404.db2.gz STSZSQUMKFIULI-VIFPVBQESA-N -1 1 366.329 2.993 20 5 FFBDMM O=c1c2ccc(O)c(O[C@H]3CCOC[C@H]3F)c2oc2cc([O-])cc(O)c12 ZINC001234749185 1037167610 /nfs/dbraw/zinc/16/76/10/1037167610.db2.gz MLMGXXOTCSRHLQ-MFKMUULPSA-N -1 1 362.309 2.569 20 5 FFBDMM C=CC(=O)OC[C@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750679 1037167726 /nfs/dbraw/zinc/16/77/26/1037167726.db2.gz MSSWSTYHXPFTAR-VIFPVBQESA-N -1 1 372.329 2.560 20 5 FFBDMM COC(=O)c1sc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC001210393816 1039518924 /nfs/dbraw/zinc/51/89/24/1039518924.db2.gz ZSHGWPCXULKKHH-UHFFFAOYSA-N -1 1 366.351 2.987 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001211044976 1039922482 /nfs/dbraw/zinc/92/24/82/1039922482.db2.gz SOSSZOVKNXMHMO-AWEZNQCLSA-N -1 1 368.386 2.708 20 5 FFBDMM COC(=O)c1nc(Cl)c(N)nc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248594554 1040334214 /nfs/dbraw/zinc/33/42/14/1040334214.db2.gz JDOARIMBDHRHRT-UHFFFAOYSA-N -1 1 358.141 2.804 20 5 FFBDMM Cc1ccc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)cc1 ZINC001323577502 1045647080 /nfs/dbraw/zinc/64/70/80/1045647080.db2.gz CTIMZLDEYVCDDD-UHFFFAOYSA-N -1 1 369.421 2.957 20 5 FFBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c([O-])cnc2c(F)cccc21 ZINC001293022591 1049465942 /nfs/dbraw/zinc/46/59/42/1049465942.db2.gz CVTQOIJBNCITTJ-UHFFFAOYSA-N -1 1 371.324 2.797 20 5 FFBDMM COc1ccc(C2([N-]S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])CC2)cc1 ZINC001309152766 1052564363 /nfs/dbraw/zinc/56/43/63/1052564363.db2.gz MNDZHYZMMSWLES-UHFFFAOYSA-N -1 1 368.436 2.941 20 5 FFBDMM CN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nn[n-]n1 ZINC001461560845 1061349347 /nfs/dbraw/zinc/34/93/47/1061349347.db2.gz YHVLZHZNONRQFU-UHFFFAOYSA-N -1 1 362.415 2.667 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2snnc2C(C)C)cc([N+](=O)[O-])c1 ZINC001530238838 1062525661 /nfs/dbraw/zinc/52/56/61/1062525661.db2.gz KFWVRENYOXODQV-UHFFFAOYSA-N -1 1 350.356 2.609 20 5 FFBDMM COCCOc1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001579814394 1078688921 /nfs/dbraw/zinc/68/89/21/1078688921.db2.gz CZJVQLYJXURQJE-UHFFFAOYSA-N -1 1 362.371 2.605 20 5 FFBDMM COCCOc1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001579814394 1078688931 /nfs/dbraw/zinc/68/89/31/1078688931.db2.gz CZJVQLYJXURQJE-UHFFFAOYSA-N -1 1 362.371 2.605 20 5 FFBDMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001570103132 1077182844 /nfs/dbraw/zinc/18/28/44/1077182844.db2.gz FWGJUDYVAGTOAS-UHFFFAOYSA-N -1 1 366.276 2.992 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001574572896 1078022599 /nfs/dbraw/zinc/02/25/99/1078022599.db2.gz CWNSQTVHUQYQPR-ZUZCIYMTSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001574572896 1078022604 /nfs/dbraw/zinc/02/26/04/1078022604.db2.gz CWNSQTVHUQYQPR-ZUZCIYMTSA-N -1 1 372.360 2.838 20 5 FFBDMM CC(C)(C)OCc1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)no1 ZINC001589198939 1080413552 /nfs/dbraw/zinc/41/35/52/1080413552.db2.gz RJVOFIJOOPEZEJ-UHFFFAOYSA-N -1 1 373.373 2.690 20 5 FFBDMM CC(C)(C)OCc1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)no1 ZINC001589198939 1080413555 /nfs/dbraw/zinc/41/35/55/1080413555.db2.gz RJVOFIJOOPEZEJ-UHFFFAOYSA-N -1 1 373.373 2.690 20 5 FFBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001589729728 1080690604 /nfs/dbraw/zinc/69/06/04/1080690604.db2.gz UVNOYFFARGSVKY-UHFFFAOYSA-N -1 1 360.403 2.664 20 5 FFBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001589729728 1080690607 /nfs/dbraw/zinc/69/06/07/1080690607.db2.gz UVNOYFFARGSVKY-UHFFFAOYSA-N -1 1 360.403 2.664 20 5 FFBDMM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001589990500 1080924725 /nfs/dbraw/zinc/92/47/25/1080924725.db2.gz JUHGMVQHXAEBDA-MRXNPFEDSA-N -1 1 374.788 2.748 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000119687172 206104914 /nfs/dbraw/zinc/10/49/14/206104914.db2.gz IXJONTPTAHRDAY-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM Cc1ccc([C@](O)(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C(F)(F)F)o1 ZINC000278145831 256281610 /nfs/dbraw/zinc/28/16/10/256281610.db2.gz RBRFCNDABRIPSY-CYBMUJFWSA-N -1 1 372.259 2.867 20 5 FFBDMM COCc1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000288536181 257201318 /nfs/dbraw/zinc/20/13/18/257201318.db2.gz XJULMXPYXMPONB-UHFFFAOYSA-N -1 1 365.367 2.611 20 5 FFBDMM CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000066001560 506409676 /nfs/dbraw/zinc/40/96/76/506409676.db2.gz ADKSTNTWIWSNBE-UHFFFAOYSA-N -1 1 373.431 2.600 20 5 FFBDMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066001480 506409701 /nfs/dbraw/zinc/40/97/01/506409701.db2.gz RRDZVSGBJWBAGE-NSHDSACASA-N -1 1 356.425 2.711 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000011443520 506777040 /nfs/dbraw/zinc/77/70/40/506777040.db2.gz KLLBOAHGKDLPNF-SNVBAGLBSA-N -1 1 362.411 2.750 20 5 FFBDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055640410 506811745 /nfs/dbraw/zinc/81/17/45/506811745.db2.gz FXIUCICINPOYSC-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM O=C(c1cc(Cl)ccc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000044614422 506864499 /nfs/dbraw/zinc/86/44/99/506864499.db2.gz LWLIXZJYWSPDNW-UHFFFAOYSA-N -1 1 361.785 2.916 20 5 FFBDMM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000024155258 507394125 /nfs/dbraw/zinc/39/41/25/507394125.db2.gz XYSYUIUTTPXKOO-LBPRGKRZSA-N -1 1 365.798 2.903 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025375067 507494109 /nfs/dbraw/zinc/49/41/09/507494109.db2.gz BELSEPDDBZWXKH-NXEZZACHSA-N -1 1 352.334 2.994 20 5 FFBDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000101577027 508248390 /nfs/dbraw/zinc/24/83/90/508248390.db2.gz IAQVLMLHXUNRRL-OAHLLOKOSA-N -1 1 368.411 2.880 20 5 FFBDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000104755993 508345045 /nfs/dbraw/zinc/34/50/45/508345045.db2.gz DPDLSICIDUHNOY-UHFFFAOYSA-N -1 1 355.441 2.827 20 5 FFBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c1[N+](=O)[O-] ZINC000152476017 508454102 /nfs/dbraw/zinc/45/41/02/508454102.db2.gz JKMXSOAEUMUTCO-AATRIKPKSA-N -1 1 360.355 2.504 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000134441758 508532784 /nfs/dbraw/zinc/53/27/84/508532784.db2.gz FVZIAVAIPLFDAS-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000157930415 508634458 /nfs/dbraw/zinc/63/44/58/508634458.db2.gz HYYUNVJAWRYAIG-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(C)noc1C ZINC000119354801 508779218 /nfs/dbraw/zinc/77/92/18/508779218.db2.gz RSULWGCALOQSMP-LBPRGKRZSA-N -1 1 357.363 2.768 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000191905576 509239541 /nfs/dbraw/zinc/23/95/41/509239541.db2.gz FFJCDUDTVMCLRN-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O ZINC000185650302 509284749 /nfs/dbraw/zinc/28/47/49/509284749.db2.gz DCKQLLAJCVBGQO-HSZRJFAPSA-N -1 1 368.436 2.583 20 5 FFBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000173356000 509550508 /nfs/dbraw/zinc/55/05/08/509550508.db2.gz RMJMGQUFYLLKDB-CQSZACIVSA-N -1 1 368.411 2.725 20 5 FFBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000183312730 509711237 /nfs/dbraw/zinc/71/12/37/509711237.db2.gz DXTLNHYVPUOQSP-LLVKDONJSA-N -1 1 362.835 2.873 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1F ZINC000173729797 509743109 /nfs/dbraw/zinc/74/31/09/509743109.db2.gz FMBYSJQURYWAAD-VIFPVBQESA-N -1 1 360.388 2.541 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000170735498 509746832 /nfs/dbraw/zinc/74/68/32/509746832.db2.gz UMTWBGIPXJURMU-CYBMUJFWSA-N -1 1 370.814 2.914 20 5 FFBDMM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193463528 509925528 /nfs/dbraw/zinc/92/55/28/509925528.db2.gz OMJPPBFLMYUQKU-CJNGLKHVSA-N -1 1 357.366 2.593 20 5 FFBDMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(CC)CC ZINC000193681202 510018014 /nfs/dbraw/zinc/01/80/14/510018014.db2.gz CNEOJSLJQFLUEW-ZIAGYGMSSA-N -1 1 351.403 2.751 20 5 FFBDMM Cc1ccc(-c2nsc([N-]C(=O)c3c([N+](=O)[O-])c(C)nn3C)n2)s1 ZINC000171237479 510027548 /nfs/dbraw/zinc/02/75/48/510027548.db2.gz HUPKEEVRVSSFBX-UHFFFAOYSA-N -1 1 364.412 2.777 20 5 FFBDMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187154510 510091302 /nfs/dbraw/zinc/09/13/02/510091302.db2.gz PMVRSQUKLDAMKK-RHSMWYFYSA-N -1 1 371.393 2.902 20 5 FFBDMM O=C(NCc1ccccc1N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187220787 510131342 /nfs/dbraw/zinc/13/13/42/510131342.db2.gz VBAJMOJXGUVJSA-UHFFFAOYSA-N -1 1 356.382 2.616 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000181066248 510265546 /nfs/dbraw/zinc/26/55/46/510265546.db2.gz LRRNFMISDZRCBF-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000295479988 511419452 /nfs/dbraw/zinc/41/94/52/511419452.db2.gz DTAASJAENVOLLQ-UHFFFAOYSA-N -1 1 361.358 2.942 20 5 FFBDMM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000272179762 511455445 /nfs/dbraw/zinc/45/54/45/511455445.db2.gz LHFXWBOOWFJFCI-ZJUUUORDSA-N -1 1 356.247 2.505 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000326064468 511854016 /nfs/dbraw/zinc/85/40/16/511854016.db2.gz FBJWSRYDLPIPEY-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc1C ZINC000327875871 511881472 /nfs/dbraw/zinc/88/14/72/511881472.db2.gz YEXFZMNKDDBZQK-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000377070650 513107795 /nfs/dbraw/zinc/10/77/95/513107795.db2.gz YKKFGEXQFPRIHS-MRXNPFEDSA-N -1 1 367.283 2.685 20 5 FFBDMM COc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])cc1O ZINC000417635852 513128993 /nfs/dbraw/zinc/12/89/93/513128993.db2.gz WYFIANNEHMLBKT-UONOGXRCSA-N -1 1 358.350 2.712 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412735709 513252904 /nfs/dbraw/zinc/25/29/04/513252904.db2.gz IJDSBCSBABJFSH-MRXNPFEDSA-N -1 1 369.377 2.689 20 5 FFBDMM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440316779 513292834 /nfs/dbraw/zinc/29/28/34/513292834.db2.gz PJWNGFUJADSUBF-SNVBAGLBSA-N -1 1 370.148 2.866 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)o1 ZINC000446642986 513303050 /nfs/dbraw/zinc/30/30/50/513303050.db2.gz ROZPNQSCULVYAH-UHFFFAOYSA-N -1 1 366.330 2.826 20 5 FFBDMM O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000435326013 513557848 /nfs/dbraw/zinc/55/78/48/513557848.db2.gz HIUPLQVECMOUFE-UHFFFAOYSA-N -1 1 364.789 2.661 20 5 FFBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000436156920 513777280 /nfs/dbraw/zinc/77/72/80/513777280.db2.gz ACYWSXTVRZQISJ-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000416579125 513845579 /nfs/dbraw/zinc/84/55/79/513845579.db2.gz BFKYAIQUGLMQGH-OTYXRUKQSA-N -1 1 362.835 2.730 20 5 FFBDMM CCOc1cc(C(=O)Nc2ccc(OC)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000443555548 513992990 /nfs/dbraw/zinc/99/29/90/513992990.db2.gz CFBINGRNCYIKAG-UHFFFAOYSA-N -1 1 362.338 2.969 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N2CCCC2)o1 ZINC000436871075 514016521 /nfs/dbraw/zinc/01/65/21/514016521.db2.gz RXGYPVXKBWWTDK-OAHLLOKOSA-N -1 1 359.382 2.769 20 5 FFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436914827 514031768 /nfs/dbraw/zinc/03/17/68/514031768.db2.gz MUSIPAUGSFNWMM-UHFFFAOYSA-N -1 1 373.756 2.920 20 5 FFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436914827 514031776 /nfs/dbraw/zinc/03/17/76/514031776.db2.gz MUSIPAUGSFNWMM-UHFFFAOYSA-N -1 1 373.756 2.920 20 5 FFBDMM CC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000444999830 514386368 /nfs/dbraw/zinc/38/63/68/514386368.db2.gz WVXKVDVTOHQWQY-GFCCVEGCSA-N -1 1 365.773 2.936 20 5 FFBDMM CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccc(F)cc2O1 ZINC000489116684 514716169 /nfs/dbraw/zinc/71/61/69/514716169.db2.gz NQILTWLSSMILEL-CYBMUJFWSA-N -1 1 361.329 2.867 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000508771371 514888954 /nfs/dbraw/zinc/88/89/54/514888954.db2.gz SDMBHDJLLUSXKV-JTQLQIEISA-N -1 1 371.328 2.511 20 5 FFBDMM Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485215223 514959910 /nfs/dbraw/zinc/95/99/10/514959910.db2.gz XFACFPKHEOMDGO-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462294255 514978824 /nfs/dbraw/zinc/97/88/24/514978824.db2.gz FCUGRMWFBCGPGE-SWLSCSKDSA-N -1 1 368.436 2.673 20 5 FFBDMM CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000490904771 515330310 /nfs/dbraw/zinc/33/03/10/515330310.db2.gz WXVKXLUTZIEVDL-UHFFFAOYSA-N -1 1 372.381 2.947 20 5 FFBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C)OCO2 ZINC000481831804 515479928 /nfs/dbraw/zinc/47/99/28/515479928.db2.gz NAZXITFZEOAQAV-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000493034059 515589805 /nfs/dbraw/zinc/58/98/05/515589805.db2.gz PUGUHWMFQZREMF-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CCC2)n1 ZINC000474115644 515891071 /nfs/dbraw/zinc/89/10/71/515891071.db2.gz UCVSJCOFOBQTOL-UHFFFAOYSA-N -1 1 371.415 2.857 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000532858273 517171587 /nfs/dbraw/zinc/17/15/87/517171587.db2.gz KQLXMGYRCSZCOM-RYUDHWBXSA-N -1 1 358.464 2.694 20 5 FFBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000538225087 517515142 /nfs/dbraw/zinc/51/51/42/517515142.db2.gz TZHZMRYODUXHRI-AWEZNQCLSA-N -1 1 358.405 2.921 20 5 FFBDMM CCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccccc1 ZINC000533633523 517554150 /nfs/dbraw/zinc/55/41/50/517554150.db2.gz OKGHNZAWSPLRMI-CYBMUJFWSA-N -1 1 352.416 2.631 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])n1 ZINC000546907150 517915134 /nfs/dbraw/zinc/91/51/34/517915134.db2.gz XIZSFXZBZVTVPU-JTQLQIEISA-N -1 1 370.456 2.573 20 5 FFBDMM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000569655433 518220461 /nfs/dbraw/zinc/22/04/61/518220461.db2.gz PNFCYJSZOZFXMV-GFCCVEGCSA-N -1 1 369.299 2.846 20 5 FFBDMM CCOCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000564485730 518471950 /nfs/dbraw/zinc/47/19/50/518471950.db2.gz DQNLVSMRIDANIV-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM Cc1c(Br)c([N-]c2cc(C3CC3)n(C)n2)ncc1[N+](=O)[O-] ZINC000564566439 518505108 /nfs/dbraw/zinc/50/51/08/518505108.db2.gz DJAYUSOIRQOFMS-UHFFFAOYSA-N -1 1 352.192 2.837 20 5 FFBDMM CCc1nc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[n-]c(=O)c1C ZINC000567628234 518622050 /nfs/dbraw/zinc/62/20/50/518622050.db2.gz MZWNOOQKYGBJLR-UHFFFAOYSA-N -1 1 374.422 2.643 20 5 FFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H](C)C(=O)[O-])cc1OC ZINC000565105874 518789005 /nfs/dbraw/zinc/78/90/05/518789005.db2.gz UPKFJVXYMNJUKS-NWDGAFQWSA-N -1 1 354.403 2.933 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccc(C)cc2[nH]1 ZINC000589980332 519118352 /nfs/dbraw/zinc/11/83/52/519118352.db2.gz OCEQKSTVLPEDKA-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000590444742 519234215 /nfs/dbraw/zinc/23/42/15/519234215.db2.gz GTFHBSCRGDTTMN-OIBJUYFYSA-N -1 1 350.762 2.982 20 5 FFBDMM COc1ccc(OCCN2CCc3c(cccc3C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000578248902 519496973 /nfs/dbraw/zinc/49/69/73/519496973.db2.gz XWCYFAUKKBOESA-UHFFFAOYSA-N -1 1 372.377 2.739 20 5 FFBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000594733638 520121959 /nfs/dbraw/zinc/12/19/59/520121959.db2.gz AILSCVZYRAVNSF-MNOVXSKESA-N -1 1 362.304 2.559 20 5 FFBDMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000608857732 520146821 /nfs/dbraw/zinc/14/68/21/520146821.db2.gz AHNBJJWAOFOIPH-SECBINFHSA-N -1 1 372.349 2.921 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000608909107 520160292 /nfs/dbraw/zinc/16/02/92/520160292.db2.gz SPRSPKKRKILDST-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000592091124 520177165 /nfs/dbraw/zinc/17/71/65/520177165.db2.gz COPOJVJCKYEXJQ-HNNXBMFYSA-N -1 1 370.475 2.839 20 5 FFBDMM O=C([O-])CC[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000593751807 521192398 /nfs/dbraw/zinc/19/23/98/521192398.db2.gz JPTBKIQCDOOAPK-GFCCVEGCSA-N -1 1 360.370 2.722 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1Br ZINC000480021469 561201631 /nfs/dbraw/zinc/20/16/31/561201631.db2.gz OVEOPAKPIMEWFS-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FFBDMM Cn1nc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000481627739 561237603 /nfs/dbraw/zinc/23/76/03/561237603.db2.gz KECKQGFCZJDLLE-UHFFFAOYSA-N -1 1 352.763 2.686 20 5 FFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736727739 600301324 /nfs/dbraw/zinc/30/13/24/600301324.db2.gz IHKQDYMGTAWDEN-SMDDNHRTSA-N -1 1 372.381 2.893 20 5 FFBDMM O=[N+]([O-])c1ccc(N[C@@H](CCCO)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826499197 607453226 /nfs/dbraw/zinc/45/32/26/607453226.db2.gz ZLGCEDDLEUWTQT-HNNXBMFYSA-N -1 1 354.370 2.701 20 5 FFBDMM O=[N+]([O-])c1ccc(N[C@@H](CCCO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826499197 607453228 /nfs/dbraw/zinc/45/32/28/607453228.db2.gz ZLGCEDDLEUWTQT-HNNXBMFYSA-N -1 1 354.370 2.701 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738477705 600612845 /nfs/dbraw/zinc/61/28/45/600612845.db2.gz CECFCVONPISBHX-UHFFFAOYSA-N -1 1 351.340 2.794 20 5 FFBDMM COc1cccc(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000826214634 607543493 /nfs/dbraw/zinc/54/34/93/607543493.db2.gz RTSFZVKHKLVNKH-UHFFFAOYSA-N -1 1 369.385 2.568 20 5 FFBDMM COc1cccc(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000826214634 607543495 /nfs/dbraw/zinc/54/34/95/607543495.db2.gz RTSFZVKHKLVNKH-UHFFFAOYSA-N -1 1 369.385 2.568 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740098914 602652627 /nfs/dbraw/zinc/65/26/27/602652627.db2.gz LWJCPKAIGGFQMI-UHFFFAOYSA-N -1 1 351.340 2.794 20 5 FFBDMM Cc1nn(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920027 605628779 /nfs/dbraw/zinc/62/87/79/605628779.db2.gz DBKUUSSCFKKVNC-WCQYABFASA-N -1 1 361.402 2.579 20 5 FFBDMM Cc1nn(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920027 605628785 /nfs/dbraw/zinc/62/87/85/605628785.db2.gz DBKUUSSCFKKVNC-WCQYABFASA-N -1 1 361.402 2.579 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1cccc(Cl)c1 ZINC000823625393 606703841 /nfs/dbraw/zinc/70/38/41/606703841.db2.gz UCZQJKNHFFNJSH-UHFFFAOYSA-N -1 1 359.777 2.868 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1cccc(Cl)c1 ZINC000823625393 606703845 /nfs/dbraw/zinc/70/38/45/606703845.db2.gz UCZQJKNHFFNJSH-UHFFFAOYSA-N -1 1 359.777 2.868 20 5 FFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000819983777 606705978 /nfs/dbraw/zinc/70/59/78/606705978.db2.gz FMEWBJOEQYAIRS-UHFFFAOYSA-N -1 1 357.349 2.699 20 5 FFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000819983777 606705980 /nfs/dbraw/zinc/70/59/80/606705980.db2.gz FMEWBJOEQYAIRS-UHFFFAOYSA-N -1 1 357.349 2.699 20 5 FFBDMM CCOCc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119479621 728595012 /nfs/dbraw/zinc/59/50/12/728595012.db2.gz ASJWHHROPFEAQB-UHFFFAOYSA-N -1 1 356.425 2.671 20 5 FFBDMM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119987186 728603709 /nfs/dbraw/zinc/60/37/09/728603709.db2.gz MESDPXSIHXINJQ-GFCCVEGCSA-N -1 1 354.409 2.631 20 5 FFBDMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173062934 729039314 /nfs/dbraw/zinc/03/93/14/729039314.db2.gz LOCFLLJUEGXHMV-UHFFFAOYSA-N -1 1 360.800 2.966 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000173676910 729052030 /nfs/dbraw/zinc/05/20/30/729052030.db2.gz PRFKKMXNFOHRNZ-SNVBAGLBSA-N -1 1 372.349 2.619 20 5 FFBDMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071671 738513623 /nfs/dbraw/zinc/51/36/23/738513623.db2.gz JTIUZPNFCNCENZ-DGCLKSJQSA-N -1 1 350.371 2.637 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1([C@H]2CCCCO2)CCC1 ZINC000867662223 731210845 /nfs/dbraw/zinc/21/08/45/731210845.db2.gz JIFFKDIVMKTHPV-CQSZACIVSA-N -1 1 372.418 2.752 20 5 FFBDMM COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000874928602 732115216 /nfs/dbraw/zinc/11/52/16/732115216.db2.gz QKJRYVZAYLAATR-KMKOMSMNSA-N -1 1 360.294 2.571 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000882761739 733289239 /nfs/dbraw/zinc/28/92/39/733289239.db2.gz JXBCXNGRMPKFLU-YPMHNXCESA-N -1 1 360.407 2.526 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000742337977 735230114 /nfs/dbraw/zinc/23/01/14/735230114.db2.gz INNFIRFBGMJGMU-LBPRGKRZSA-N -1 1 370.406 2.514 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000742648314 735246655 /nfs/dbraw/zinc/24/66/55/735246655.db2.gz NMPNNUCBGQNLEH-DGCLKSJQSA-N -1 1 354.334 2.707 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000751423878 735872758 /nfs/dbraw/zinc/87/27/58/735872758.db2.gz UQBUGKKSHGPTMW-UHFFFAOYSA-N -1 1 370.814 2.865 20 5 FFBDMM Cc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)s1 ZINC000754630726 736181514 /nfs/dbraw/zinc/18/15/14/736181514.db2.gz KYMCDUADSLMPJD-UHFFFAOYSA-N -1 1 361.152 2.909 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1Cc2ccccc2C1 ZINC000755971850 736294421 /nfs/dbraw/zinc/29/44/21/736294421.db2.gz RGNLJBLDKHJBKF-UHFFFAOYSA-N -1 1 364.398 2.817 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]nc1C1CC1 ZINC000760321041 736629273 /nfs/dbraw/zinc/62/92/73/736629273.db2.gz PUUUNRIJHQDCDV-UHFFFAOYSA-N -1 1 356.791 2.958 20 5 FFBDMM Cc1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000761279925 736716808 /nfs/dbraw/zinc/71/68/08/736716808.db2.gz BYCJIWLULXJZHG-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000762291824 736811481 /nfs/dbraw/zinc/81/14/81/736811481.db2.gz QGIPNNNMUMKVCA-UHFFFAOYSA-N -1 1 374.434 2.996 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21 ZINC000800184183 740498015 /nfs/dbraw/zinc/49/80/15/740498015.db2.gz MMCYZLMVXNQDQX-UHFFFAOYSA-N -1 1 363.370 2.736 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1 ZINC000769047702 737489407 /nfs/dbraw/zinc/48/94/07/737489407.db2.gz KGVZSNLWBFZAFO-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000777592546 738304021 /nfs/dbraw/zinc/30/40/21/738304021.db2.gz ZKEGRBHNUOZZPK-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800052422 740479159 /nfs/dbraw/zinc/47/91/59/740479159.db2.gz WFQSOKYAVJQOFC-UHFFFAOYSA-N -1 1 361.332 2.813 20 5 FFBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 ZINC000800990235 740575512 /nfs/dbraw/zinc/57/55/12/740575512.db2.gz QDOCQJYXGOTLKN-ZETCQYMHSA-N -1 1 367.343 2.623 20 5 FFBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000803638032 740815788 /nfs/dbraw/zinc/81/57/88/740815788.db2.gz WWOUGVKEYFRCHZ-UHFFFAOYSA-N -1 1 355.104 2.846 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328098 741212959 /nfs/dbraw/zinc/21/29/59/741212959.db2.gz KUHDTCCZCPGFEG-NSHDSACASA-N -1 1 356.297 2.662 20 5 FFBDMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809837585 741351887 /nfs/dbraw/zinc/35/18/87/741351887.db2.gz ZRXQGTHZPJZEGH-NSHDSACASA-N -1 1 371.242 2.587 20 5 FFBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1 ZINC000814991894 741880072 /nfs/dbraw/zinc/88/00/72/741880072.db2.gz BXCKTMALFHAPKC-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022893 741884619 /nfs/dbraw/zinc/88/46/19/741884619.db2.gz CPIURYUCJPLHRY-VIFPVBQESA-N -1 1 373.793 2.692 20 5 FFBDMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000817145573 742095242 /nfs/dbraw/zinc/09/52/42/742095242.db2.gz JXPFDAHUSHIOHL-DTWKUNHWSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CS1 ZINC000841558614 747398706 /nfs/dbraw/zinc/39/87/06/747398706.db2.gz JKNRLFHBXCZVER-BQBZGAKWSA-N -1 1 354.812 2.560 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)ccc1[N+](=O)[O-] ZINC000842824175 747699225 /nfs/dbraw/zinc/69/92/25/747699225.db2.gz KTAQHMSCEYCROM-UHFFFAOYSA-N -1 1 354.388 2.559 20 5 FFBDMM C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000843039682 747753916 /nfs/dbraw/zinc/75/39/16/747753916.db2.gz DUXNMNUMASZYQZ-ZJUUUORDSA-N -1 1 357.204 2.900 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CC2(Cl)Cl)s1 ZINC000846021902 748385311 /nfs/dbraw/zinc/38/53/11/748385311.db2.gz MKNZSQPANRCTTM-ZETCQYMHSA-N -1 1 359.256 2.909 20 5 FFBDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000849460483 749165040 /nfs/dbraw/zinc/16/50/40/749165040.db2.gz LYRCWYFDGUMJRV-IUCAKERBSA-N -1 1 366.798 2.623 20 5 FFBDMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(F)F ZINC000851819889 749687368 /nfs/dbraw/zinc/68/73/68/749687368.db2.gz LKADFVUKEMGDSK-SNVBAGLBSA-N -1 1 354.762 2.818 20 5 FFBDMM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000851822208 749688890 /nfs/dbraw/zinc/68/88/90/749688890.db2.gz KDFPNINJGSQQKT-HUUCEWRRSA-N -1 1 370.452 2.693 20 5 FFBDMM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2F)cccc1[N+](=O)[O-] ZINC000773585320 1013757513 /nfs/dbraw/zinc/75/75/13/1013757513.db2.gz SBSNQNQVVPMCNL-SNVBAGLBSA-N -1 1 362.313 2.932 20 5 FFBDMM CSc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001599825225 988586836 /nfs/dbraw/zinc/58/68/36/988586836.db2.gz MXXOLCHRLZXZPN-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM COc1ccccc1[C@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599719459 991512492 /nfs/dbraw/zinc/51/24/92/991512492.db2.gz OUWZDEDTSKTNAF-LBPRGKRZSA-N -1 1 360.366 2.918 20 5 FFBDMM CC(C)[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCS1 ZINC001591096711 991692918 /nfs/dbraw/zinc/69/29/18/991692918.db2.gz PWCNGKNEGUOPCZ-OAHLLOKOSA-N -1 1 354.428 2.632 20 5 FFBDMM COc1c(O)ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC001599344676 997982288 /nfs/dbraw/zinc/98/22/88/997982288.db2.gz LQLQZOOTPYIXAH-OAHLLOKOSA-N -1 1 360.366 2.841 20 5 FFBDMM Cc1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H](C)C2)cc1C ZINC000770596849 1000850076 /nfs/dbraw/zinc/85/00/76/1000850076.db2.gz OWVSLIVMHYCCAD-CQSZACIVSA-N -1 1 370.409 2.663 20 5 FFBDMM O=C(OCc1cccc([N+](=O)[O-])c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787954205 1001734793 /nfs/dbraw/zinc/73/47/93/1001734793.db2.gz DQCOJXGKANBUOG-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOCC12CCCC2 ZINC001196071861 1003661041 /nfs/dbraw/zinc/66/10/41/1003661041.db2.gz VWDTXXNJNYUWIH-CQSZACIVSA-N -1 1 374.846 2.876 20 5 FFBDMM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001191347885 1003777939 /nfs/dbraw/zinc/77/79/39/1003777939.db2.gz MMIMQSIJCBUEEB-OLZOCXBDSA-N -1 1 358.464 2.696 20 5 FFBDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)cc2)co1 ZINC000112639731 1006980411 /nfs/dbraw/zinc/98/04/11/1006980411.db2.gz BVCIQBRSXJHATE-UHFFFAOYSA-N -1 1 374.378 2.941 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000800147190 1007182343 /nfs/dbraw/zinc/18/23/43/1007182343.db2.gz JIUVIPNBPOIHGC-UHFFFAOYSA-N -1 1 363.257 2.932 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4C[NH2+]CCC[C@H]4F)cc3c([O-])c1-2 ZINC001217978314 1032929696 /nfs/dbraw/zinc/92/96/96/1032929696.db2.gz PSLZIIVMHCXYDB-PIGZYNQJSA-N -1 1 359.353 2.826 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000755677870 1023623335 /nfs/dbraw/zinc/62/33/35/1023623335.db2.gz RFRCFLWQGWDQMS-UHFFFAOYSA-N -1 1 371.301 2.772 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@H]4C[C@H](O)C4)cc3c(=O)c12 ZINC001218430852 1033152496 /nfs/dbraw/zinc/15/24/96/1033152496.db2.gz UEGAWQVNXMYYBQ-MGCOHNPYSA-N -1 1 358.346 2.516 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Br)c(F)c2)no1 ZINC001212893067 1027200248 /nfs/dbraw/zinc/20/02/48/1027200248.db2.gz LAGHUATYKHMUPS-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001160132211 1027604217 /nfs/dbraw/zinc/60/42/17/1027604217.db2.gz CTDSQGGRSOGNQR-UHFFFAOYSA-N -1 1 351.721 2.686 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC2(CC(Oc3[n-]ccc(=O)c3[N+](=O)[O-])C2)C1 ZINC001225660057 1034354618 /nfs/dbraw/zinc/35/46/18/1034354618.db2.gz CAXPOIPKJFNMRR-UHFFFAOYSA-N -1 1 365.386 2.864 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@@H](F)C1 ZINC001225660839 1034355445 /nfs/dbraw/zinc/35/54/45/1034355445.db2.gz HJUWWURBNNJNEV-JQWIXIFHSA-N -1 1 371.365 2.812 20 5 FFBDMM CSc1nc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)cc(=O)[n-]1 ZINC001228096195 1035930874 /nfs/dbraw/zinc/93/08/74/1035930874.db2.gz ZKPBXQWIVIJVMY-VIFPVBQESA-N -1 1 366.374 2.609 20 5 FFBDMM CC(=O)N1CCC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)CC1 ZINC001229803670 1036907811 /nfs/dbraw/zinc/90/78/11/1036907811.db2.gz QJUAUUSDAAFKLE-UHFFFAOYSA-N -1 1 369.373 2.747 20 5 FFBDMM CCCOC(=O)[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750706 1037166374 /nfs/dbraw/zinc/16/63/74/1037166374.db2.gz NBGHTADEQOLYQY-SECBINFHSA-N -1 1 374.345 2.784 20 5 FFBDMM CCOC(=O)[C@H](C)Oc1cc2c(cc1O)oc1cc([O-])cc(OC)c1c2=O ZINC001234801077 1037185198 /nfs/dbraw/zinc/18/51/98/1037185198.db2.gz NKVYNEHSNNQRQH-VIFPVBQESA-N -1 1 374.345 2.696 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccccc2F)cc1F ZINC001208257034 1038172639 /nfs/dbraw/zinc/17/26/39/1038172639.db2.gz GZAGQRAPNQKSEY-UHFFFAOYSA-N -1 1 372.349 2.539 20 5 FFBDMM Cc1ccc(CN2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cc1 ZINC001255110741 1041146922 /nfs/dbraw/zinc/14/69/22/1041146922.db2.gz NEGZHZNFDUYPBO-UHFFFAOYSA-N -1 1 369.421 2.957 20 5 FFBDMM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1n[n-]c(C(F)(F)F)n1 ZINC001538334928 1070411359 /nfs/dbraw/zinc/41/13/59/1070411359.db2.gz ZVSVAZKTDXTROE-UHFFFAOYSA-N -1 1 363.683 2.956 20 5 FFBDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001318713653 1044828195 /nfs/dbraw/zinc/82/81/95/1044828195.db2.gz BGLIYMMIKDSJPP-RDBSUJKOSA-N -1 1 355.460 2.977 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[n-]c1Cl ZINC001289087129 1047574748 /nfs/dbraw/zinc/57/47/48/1047574748.db2.gz LMTYKTMOPQOXML-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC001475391977 1048277257 /nfs/dbraw/zinc/27/72/57/1048277257.db2.gz VDOKMUDLCQIQAN-BONVTDFDSA-N -1 1 360.407 2.524 20 5 FFBDMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293532897 1049576028 /nfs/dbraw/zinc/57/60/28/1049576028.db2.gz NESQKRCLNXBDPA-UHFFFAOYSA-N -1 1 368.737 2.881 20 5 FFBDMM O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001301707737 1050962851 /nfs/dbraw/zinc/96/28/51/1050962851.db2.gz SVRBKGLGHSTNDH-UHFFFAOYSA-N -1 1 353.338 2.537 20 5 FFBDMM Cc1ncc(Br)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC001345203151 1052316798 /nfs/dbraw/zinc/31/67/98/1052316798.db2.gz GURSPUKMFNPXON-UHFFFAOYSA-N -1 1 373.113 2.986 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)cc1F ZINC001309125421 1052560270 /nfs/dbraw/zinc/56/02/70/1052560270.db2.gz ZVYZPDCIIUPKNS-UHFFFAOYSA-N -1 1 367.402 2.587 20 5 FFBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC001475151196 1060969392 /nfs/dbraw/zinc/96/93/92/1060969392.db2.gz BJQDMOJVJLHEOL-COLVAYQJSA-N -1 1 374.434 2.852 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001475661704 1061187978 /nfs/dbraw/zinc/18/79/78/1061187978.db2.gz CKAHFMITMDIHDL-JGVFFNPUSA-N -1 1 356.297 2.519 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H](C)O1 ZINC001464259975 1062510695 /nfs/dbraw/zinc/51/06/95/1062510695.db2.gz NGQMWFCJUMKFDY-MATHAZKKSA-N -1 1 369.226 2.746 20 5 FFBDMM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001574694038 1078063224 /nfs/dbraw/zinc/06/32/24/1078063224.db2.gz ZDMSEUVMOFYUBL-LBPRGKRZSA-N -1 1 370.361 2.984 20 5 FFBDMM C[C@@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001575117042 1078108074 /nfs/dbraw/zinc/10/80/74/1078108074.db2.gz KPHPXGCPKYSIQG-QMMMGPOBSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001575117042 1078108081 /nfs/dbraw/zinc/10/80/81/1078108081.db2.gz KPHPXGCPKYSIQG-QMMMGPOBSA-N -1 1 364.362 2.855 20 5 FFBDMM Cc1ccc(CSc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n[nH]2)cc1 ZINC001472355777 1065029621 /nfs/dbraw/zinc/02/96/21/1065029621.db2.gz VWBNCZSDDAOCRL-UHFFFAOYSA-N -1 1 358.383 2.894 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2ccc(Cl)cc21 ZINC001582802297 1079108463 /nfs/dbraw/zinc/10/84/63/1079108463.db2.gz OHJAKNJNUZMZNC-LBPRGKRZSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2ccc(Cl)cc21 ZINC001582802297 1079108465 /nfs/dbraw/zinc/10/84/65/1079108465.db2.gz OHJAKNJNUZMZNC-LBPRGKRZSA-N -1 1 357.761 2.923 20 5 FFBDMM Cc1nocc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC001585127907 1079429740 /nfs/dbraw/zinc/42/97/40/1079429740.db2.gz YHAYMEJUQQDTHA-UHFFFAOYSA-N -1 1 373.106 2.748 20 5 FFBDMM C[C@]1(Cc2ccccc2)SCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001558418652 1076000795 /nfs/dbraw/zinc/00/07/95/1076000795.db2.gz UJSHCBXTYOHIDV-QGZVFWFLSA-N -1 1 359.407 2.843 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccns1 ZINC001561806413 1076426211 /nfs/dbraw/zinc/42/62/11/1076426211.db2.gz UACKVWOIRSYWIO-ZCFIWIBFSA-N -1 1 365.795 2.883 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)s2)c([N+](=O)[O-])n1 ZINC001561896242 1076440285 /nfs/dbraw/zinc/44/02/85/1076440285.db2.gz GIEMTOVHJJAQSR-UHFFFAOYSA-N -1 1 372.472 2.649 20 5 FFBDMM CNc1nccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c1[N+](=O)[O-] ZINC001565768049 1076762704 /nfs/dbraw/zinc/76/27/04/1076762704.db2.gz IPXRJHIQXOWLHW-UHFFFAOYSA-N -1 1 374.357 2.941 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC001566260262 1076939593 /nfs/dbraw/zinc/93/95/93/1076939593.db2.gz ZYQNQVWOGZYMJK-UONOGXRCSA-N -1 1 361.398 2.840 20 5 FFBDMM CSc1nc(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001570806384 1077232401 /nfs/dbraw/zinc/23/24/01/1077232401.db2.gz GVTHDGKJZNENMN-UHFFFAOYSA-N -1 1 362.411 2.866 20 5 FFBDMM O=C([N-]c1ccnc(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001587733628 1079852261 /nfs/dbraw/zinc/85/22/61/1079852261.db2.gz AKDATLJFXOMGHM-UHFFFAOYSA-N -1 1 351.265 2.682 20 5 FFBDMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589189105 1080404625 /nfs/dbraw/zinc/40/46/25/1080404625.db2.gz MGUUFCQAHBFLQK-PWSUYJOCSA-N -1 1 374.401 2.697 20 5 FFBDMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589189105 1080404628 /nfs/dbraw/zinc/40/46/28/1080404628.db2.gz MGUUFCQAHBFLQK-PWSUYJOCSA-N -1 1 374.401 2.697 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590241950 1081116340 /nfs/dbraw/zinc/11/63/40/1081116340.db2.gz YUCMPDQVDZIEFV-GKKDWNQVSA-N -1 1 372.429 2.541 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590241950 1081116342 /nfs/dbraw/zinc/11/63/42/1081116342.db2.gz YUCMPDQVDZIEFV-GKKDWNQVSA-N -1 1 372.429 2.541 20 5 FFBDMM Cn1c([C@@H]2CCCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2)n[n-]c1=S ZINC000097570024 205913616 /nfs/dbraw/zinc/91/36/16/205913616.db2.gz AMVPCZLSKXZKSW-YSKGHYERSA-N -1 1 373.438 2.805 20 5 FFBDMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290012956 257311263 /nfs/dbraw/zinc/31/12/63/257311263.db2.gz XPWBXYXJDXKYBB-XVKPBYJWSA-N -1 1 369.226 2.605 20 5 FFBDMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066637842 506590190 /nfs/dbraw/zinc/59/01/90/506590190.db2.gz WJXRSMFMDJLLMQ-UHFFFAOYSA-N -1 1 358.383 2.595 20 5 FFBDMM O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000042351270 506622307 /nfs/dbraw/zinc/62/23/07/506622307.db2.gz INJLDDUOIOUZCM-UHFFFAOYSA-N -1 1 357.107 2.780 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000055615383 506798827 /nfs/dbraw/zinc/79/88/27/506798827.db2.gz STFVDYNRVTXHBU-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1[N+](=O)[O-] ZINC000060831651 507580405 /nfs/dbraw/zinc/58/04/05/507580405.db2.gz XSURUUQAWWMDNV-UHFFFAOYSA-N -1 1 352.368 2.727 20 5 FFBDMM COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000026547209 507597654 /nfs/dbraw/zinc/59/76/54/507597654.db2.gz LHTHJCJJUZMYHG-UHFFFAOYSA-N -1 1 352.368 2.551 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)s1 ZINC000064245021 507787446 /nfs/dbraw/zinc/78/74/46/507787446.db2.gz MJCXXWRQLPZROI-UHFFFAOYSA-N -1 1 364.351 2.736 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)ccc1C ZINC000093929145 508161010 /nfs/dbraw/zinc/16/10/10/508161010.db2.gz NDCCNGHKGWFCHR-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM COc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119480246 508804691 /nfs/dbraw/zinc/80/46/91/508804691.db2.gz IZTZXQAFRZWAHN-UHFFFAOYSA-N -1 1 370.814 2.778 20 5 FFBDMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000151905769 509108686 /nfs/dbraw/zinc/10/86/86/509108686.db2.gz XQYYKDWKZMPKCI-SNVBAGLBSA-N -1 1 354.409 2.596 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000121542694 509177989 /nfs/dbraw/zinc/17/79/89/509177989.db2.gz QJIYTVHEDUHBBZ-NSHDSACASA-N -1 1 363.757 2.642 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000173977799 509885823 /nfs/dbraw/zinc/88/58/23/509885823.db2.gz LJEZHMSPWAOWQN-AWEZNQCLSA-N -1 1 370.814 2.914 20 5 FFBDMM Cc1ccc(-c2nc(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)co2)cc1 ZINC000171119324 509952955 /nfs/dbraw/zinc/95/29/55/509952955.db2.gz SONXNGGBEPMQAN-UHFFFAOYSA-N -1 1 368.349 2.631 20 5 FFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000193634126 509999565 /nfs/dbraw/zinc/99/95/65/509999565.db2.gz DGJREIGLRJGYHG-VIFPVBQESA-N -1 1 351.746 2.546 20 5 FFBDMM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000270616691 510926969 /nfs/dbraw/zinc/92/69/69/510926969.db2.gz JDWUNFJVFAWWGB-GWCFXTLKSA-N -1 1 360.407 2.606 20 5 FFBDMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295090869 511279196 /nfs/dbraw/zinc/27/91/96/511279196.db2.gz ACTALQUGANKLAJ-NKWVEPMBSA-N -1 1 357.215 2.603 20 5 FFBDMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295165092 511306900 /nfs/dbraw/zinc/30/69/00/511306900.db2.gz NPYSMEXXRXQFBL-UHFFFAOYSA-N -1 1 371.242 2.729 20 5 FFBDMM O=C(NCc1cc(F)ccc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303019098 511723993 /nfs/dbraw/zinc/72/39/93/511723993.db2.gz ZAZKFGUXWQLOPD-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000412390403 513061656 /nfs/dbraw/zinc/06/16/56/513061656.db2.gz AIVSHTCMSGAZHO-UHFFFAOYSA-N -1 1 367.283 2.954 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@H](F)C1 ZINC000450601060 513268304 /nfs/dbraw/zinc/26/83/04/513268304.db2.gz PCAQUFTZKDEDNW-LBPRGKRZSA-N -1 1 365.386 2.944 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH]n2)o1 ZINC000446619352 513297320 /nfs/dbraw/zinc/29/73/20/513297320.db2.gz FCTXXFSBFJYCBQ-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000434972250 513479719 /nfs/dbraw/zinc/47/97/19/513479719.db2.gz NLKHXKQVJWOERQ-UHFFFAOYSA-N -1 1 362.342 2.925 20 5 FFBDMM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)CCCCF)c1 ZINC000451043828 513479953 /nfs/dbraw/zinc/47/99/53/513479953.db2.gz ADWFIYSXDZDURC-UHFFFAOYSA-N -1 1 355.185 2.849 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416254028 513676512 /nfs/dbraw/zinc/67/65/12/513676512.db2.gz FJXNEFDFZSYGJY-CYBMUJFWSA-N -1 1 363.320 2.821 20 5 FFBDMM CC(=O)c1ncc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000414734918 514263192 /nfs/dbraw/zinc/26/31/92/514263192.db2.gz FDMLLGFXVRRUDA-UHFFFAOYSA-N -1 1 363.351 2.668 20 5 FFBDMM CC1(C)C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000444981013 514381729 /nfs/dbraw/zinc/38/17/29/514381729.db2.gz DIQNHPOBRLHWBT-LBPRGKRZSA-N -1 1 361.329 2.867 20 5 FFBDMM CC1(C)C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000444981012 514381953 /nfs/dbraw/zinc/38/19/53/514381953.db2.gz DIQNHPOBRLHWBT-GFCCVEGCSA-N -1 1 361.329 2.867 20 5 FFBDMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000445171123 514434319 /nfs/dbraw/zinc/43/43/19/514434319.db2.gz FXSGZGGFDHVZIQ-GFCCVEGCSA-N -1 1 374.397 2.834 20 5 FFBDMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000421141821 514501765 /nfs/dbraw/zinc/50/17/65/514501765.db2.gz PVAFOKBLCFLPHV-HNNXBMFYSA-N -1 1 364.423 2.903 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCCCC2)c([N+](=O)[O-])n1 ZINC000476224571 514957416 /nfs/dbraw/zinc/95/74/16/514957416.db2.gz ROIKKDUPKQZVHZ-UHFFFAOYSA-N -1 1 356.448 2.616 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000499652007 515399964 /nfs/dbraw/zinc/39/99/64/515399964.db2.gz DWCLVQFRPXGMLU-VIFPVBQESA-N -1 1 352.334 2.838 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000491601810 515460500 /nfs/dbraw/zinc/46/05/00/515460500.db2.gz OJVCLQZFPZESEX-HSZRJFAPSA-N -1 1 368.436 2.750 20 5 FFBDMM CC(C)CCc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000468844567 515548567 /nfs/dbraw/zinc/54/85/67/515548567.db2.gz FFERMTGWEQRYLT-UHFFFAOYSA-N -1 1 352.416 2.848 20 5 FFBDMM O=C(NCc1cccc(-c2cccnc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000468943488 515593449 /nfs/dbraw/zinc/59/34/49/515593449.db2.gz LYUYALGJNANYKG-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)n[nH]1 ZINC000511262921 515845083 /nfs/dbraw/zinc/84/50/83/515845083.db2.gz WMSFILUKIOQLEP-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)s1 ZINC000474306355 515983765 /nfs/dbraw/zinc/98/37/65/515983765.db2.gz FUUGGIQVHBIUEU-VIFPVBQESA-N -1 1 360.800 2.722 20 5 FFBDMM COc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc21 ZINC000474370002 516017471 /nfs/dbraw/zinc/01/74/71/516017471.db2.gz JNEAPPRSCUNNOI-UHFFFAOYSA-N -1 1 368.392 2.890 20 5 FFBDMM C[C@@H]1CN(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C[C@@H](C)O1 ZINC000523128954 516393044 /nfs/dbraw/zinc/39/30/44/516393044.db2.gz AMEVIWHJLJGGMZ-CHWSQXEVSA-N -1 1 358.398 2.784 20 5 FFBDMM O=C(N=c1nc(-c2cccc3ccccc32)[nH][n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000531644135 516570260 /nfs/dbraw/zinc/57/02/60/516570260.db2.gz PZOSFBCFSHVJLF-UHFFFAOYSA-N -1 1 360.333 2.602 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCCC1 ZINC000525086649 516911328 /nfs/dbraw/zinc/91/13/28/516911328.db2.gz YPFCDUDCBGQVQL-UHFFFAOYSA-N -1 1 361.423 2.780 20 5 FFBDMM COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCC1 ZINC000544858041 516964458 /nfs/dbraw/zinc/96/44/58/516964458.db2.gz OVPJIKAZTLDXNJ-UHFFFAOYSA-N -1 1 357.366 2.556 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCC2)c(Br)c1 ZINC000563055004 517619227 /nfs/dbraw/zinc/61/92/27/517619227.db2.gz LKJLCMCBOHMZAY-UHFFFAOYSA-N -1 1 367.196 2.528 20 5 FFBDMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000566892305 518249662 /nfs/dbraw/zinc/24/96/62/518249662.db2.gz BMGYHQOQIDTXAP-UHFFFAOYSA-N -1 1 374.426 2.890 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000564373056 518421657 /nfs/dbraw/zinc/42/16/57/518421657.db2.gz VFMUJOKYNZJTIH-CHWSQXEVSA-N -1 1 368.436 2.855 20 5 FFBDMM COc1cc(CN2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565107772 518789714 /nfs/dbraw/zinc/78/97/14/518789714.db2.gz XNMJLPXJESMIJM-SNVBAGLBSA-N -1 1 374.340 2.544 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000577148701 518936302 /nfs/dbraw/zinc/93/63/02/518936302.db2.gz LGZMVKSEDMJSRY-UHFFFAOYSA-N -1 1 372.349 2.674 20 5 FFBDMM COc1cc(CN2CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000571217480 518983479 /nfs/dbraw/zinc/98/34/79/518983479.db2.gz HHHIHJLIBOZHJV-NSHDSACASA-N -1 1 374.340 2.686 20 5 FFBDMM Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000589600039 519038847 /nfs/dbraw/zinc/03/88/47/519038847.db2.gz XNOZOCGGSOEEFO-UHFFFAOYSA-N -1 1 372.772 2.980 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1Br ZINC000580547372 519233678 /nfs/dbraw/zinc/23/36/78/519233678.db2.gz MSNVFLGFLXTUGG-MRVPVSSYSA-N -1 1 367.203 2.807 20 5 FFBDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc2[nH]c1=O ZINC000590597499 519282110 /nfs/dbraw/zinc/28/21/10/519282110.db2.gz HPMVUKKMGPNSFM-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000574691967 519284352 /nfs/dbraw/zinc/28/43/52/519284352.db2.gz YTDFCARVVJCLOE-UHFFFAOYSA-N -1 1 365.411 2.626 20 5 FFBDMM COc1cc(CN=c2[n-]nc(CCC(C)C)s2)cc([N+](=O)[O-])c1O ZINC000594743654 520127875 /nfs/dbraw/zinc/12/78/75/520127875.db2.gz UQVCVBCFZKJEQQ-UHFFFAOYSA-N -1 1 352.416 2.783 20 5 FFBDMM Cc1cc(Br)ccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609549535 520354890 /nfs/dbraw/zinc/35/48/90/520354890.db2.gz GOTWTLYSYDAVSB-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000603779058 520357828 /nfs/dbraw/zinc/35/78/28/520357828.db2.gz IUIJHLMINDDBDL-UHFFFAOYSA-N -1 1 364.379 2.865 20 5 FFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600675408 520390633 /nfs/dbraw/zinc/39/06/33/520390633.db2.gz MNEOZWYOSUVUAN-GHMZBOCLSA-N -1 1 360.370 2.718 20 5 FFBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600675926 520392042 /nfs/dbraw/zinc/39/20/42/520392042.db2.gz PNIHQILDXVWAOO-QWRGUYRKSA-N -1 1 360.370 2.718 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC000595384226 520441596 /nfs/dbraw/zinc/44/15/96/520441596.db2.gz URLYUJPJYFQMCF-UHFFFAOYSA-N -1 1 352.359 2.563 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000610317370 520633594 /nfs/dbraw/zinc/63/35/94/520633594.db2.gz IKJMTWVYEFSTCK-UHFFFAOYSA-N -1 1 352.416 2.979 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c1C ZINC000610796472 520848124 /nfs/dbraw/zinc/84/81/24/520848124.db2.gz MQFQURLXKPAPCU-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM COc1ccc(OCCN2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])c1 ZINC000593754292 521194902 /nfs/dbraw/zinc/19/49/02/521194902.db2.gz UUZLLEYFOGCONG-UHFFFAOYSA-N -1 1 372.377 2.739 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(C)[nH]c2c1 ZINC000619507368 521602621 /nfs/dbraw/zinc/60/26/21/521602621.db2.gz JIIBWZZECPJNRI-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM CC(C)CN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CC(C)C)c1 ZINC000820081412 599500145 /nfs/dbraw/zinc/50/01/45/599500145.db2.gz FFTJUJCVQOMDRC-UHFFFAOYSA-N -1 1 361.450 2.959 20 5 FFBDMM CC(C)CN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CC(C)C)c1 ZINC000820081412 599500147 /nfs/dbraw/zinc/50/01/47/599500147.db2.gz FFTJUJCVQOMDRC-UHFFFAOYSA-N -1 1 361.450 2.959 20 5 FFBDMM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000827456041 604600114 /nfs/dbraw/zinc/60/01/14/604600114.db2.gz RABPOKQZGZDTPK-LBPRGKRZSA-N -1 1 358.350 2.664 20 5 FFBDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000833814173 605395515 /nfs/dbraw/zinc/39/55/15/605395515.db2.gz ROXMDDAZTFXWME-DZGCQCFKSA-N -1 1 373.413 2.784 20 5 FFBDMM O=[N+]([O-])c1cc(NCc2ccc3c(c2)OCCCO3)ccc1-c1nn[n-]n1 ZINC000823634097 606646180 /nfs/dbraw/zinc/64/61/80/606646180.db2.gz ARIUTHMEOIBDBH-UHFFFAOYSA-N -1 1 368.353 2.548 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1C(F)(F)F ZINC000823624985 606703715 /nfs/dbraw/zinc/70/37/15/606703715.db2.gz NKZBCKXLROZZRR-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1C(F)(F)F ZINC000823624985 606703717 /nfs/dbraw/zinc/70/37/17/606703717.db2.gz NKZBCKXLROZZRR-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM CCCCO[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821071300 606715026 /nfs/dbraw/zinc/71/50/26/606715026.db2.gz AKRXWXLEFCTTID-RYUDHWBXSA-N -1 1 361.406 2.566 20 5 FFBDMM CCCCO[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821071300 606715028 /nfs/dbraw/zinc/71/50/28/606715028.db2.gz AKRXWXLEFCTTID-RYUDHWBXSA-N -1 1 361.406 2.566 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(C(F)(F)F)cn1 ZINC000823630233 607166609 /nfs/dbraw/zinc/16/66/09/607166609.db2.gz SJYVXPOLTVHNJD-UHFFFAOYSA-N -1 1 369.288 2.735 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(C(F)(F)F)cn1 ZINC000823630233 607166610 /nfs/dbraw/zinc/16/66/10/607166610.db2.gz SJYVXPOLTVHNJD-UHFFFAOYSA-N -1 1 369.288 2.735 20 5 FFBDMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823483508 607193815 /nfs/dbraw/zinc/19/38/15/607193815.db2.gz HENZTWLLOOASOS-UHFFFAOYSA-N -1 1 370.394 2.641 20 5 FFBDMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823483508 607193816 /nfs/dbraw/zinc/19/38/16/607193816.db2.gz HENZTWLLOOASOS-UHFFFAOYSA-N -1 1 370.394 2.641 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc([N+](=O)[O-])c1F ZINC000154249612 728799990 /nfs/dbraw/zinc/79/99/90/728799990.db2.gz BQEUYCFJIKMXFV-UHFFFAOYSA-N -1 1 362.342 2.786 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000074973717 728242015 /nfs/dbraw/zinc/24/20/15/728242015.db2.gz GECOAURSHICJLW-LBPRGKRZSA-N -1 1 350.824 2.588 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000076308366 728259615 /nfs/dbraw/zinc/25/96/15/728259615.db2.gz RYALIHCXMFOXBZ-SNVBAGLBSA-N -1 1 361.217 2.744 20 5 FFBDMM Cn1cc(-c2ncc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)s2)cn1 ZINC000112166599 728542092 /nfs/dbraw/zinc/54/20/92/728542092.db2.gz ANLAXUWRLIXKJV-UHFFFAOYSA-N -1 1 365.321 2.982 20 5 FFBDMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000173625832 729051470 /nfs/dbraw/zinc/05/14/70/729051470.db2.gz ZSMWFKLWCIOBEH-LBPRGKRZSA-N -1 1 368.386 2.788 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC000194441390 729510491 /nfs/dbraw/zinc/51/04/91/729510491.db2.gz DLMBILPWEZZGSI-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000863738403 730805624 /nfs/dbraw/zinc/80/56/24/730805624.db2.gz AOSHDIBDTIWICD-VHSXEESVSA-N -1 1 357.204 2.900 20 5 FFBDMM CCOC1CC(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867172950 731150656 /nfs/dbraw/zinc/15/06/56/731150656.db2.gz LKOUAGAMFLKRBD-UHFFFAOYSA-N -1 1 360.407 2.526 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)cc1F ZINC000867459777 731188096 /nfs/dbraw/zinc/18/80/96/731188096.db2.gz ZAHWSAQHMBKEDR-MRXNPFEDSA-N -1 1 372.418 2.526 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000735504503 734949109 /nfs/dbraw/zinc/94/91/09/734949109.db2.gz TVTUQBZGRHNVTM-NSHDSACASA-N -1 1 354.384 2.859 20 5 FFBDMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000742329124 735228570 /nfs/dbraw/zinc/22/85/70/735228570.db2.gz NHDDVPOKOSEDJR-BDAKNGLRSA-N -1 1 350.849 2.811 20 5 FFBDMM C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000902556589 735961132 /nfs/dbraw/zinc/96/11/32/735961132.db2.gz MJNSNQSHQYATJT-NXEZZACHSA-N -1 1 357.204 2.900 20 5 FFBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000766079457 737191231 /nfs/dbraw/zinc/19/12/31/737191231.db2.gz GZHZONIXMOGYKC-OLZOCXBDSA-N -1 1 360.407 2.604 20 5 FFBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1F ZINC000769888800 737578903 /nfs/dbraw/zinc/57/89/03/737578903.db2.gz FPOSDGJYBAGXBF-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000771809020 737758191 /nfs/dbraw/zinc/75/81/91/737758191.db2.gz YHGRONAYNDMBQU-DGCLKSJQSA-N -1 1 362.835 2.730 20 5 FFBDMM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000773358666 737898555 /nfs/dbraw/zinc/89/85/55/737898555.db2.gz LATZNQYNGWYOIR-JTQLQIEISA-N -1 1 353.375 2.731 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CC2 ZINC000776092582 738160375 /nfs/dbraw/zinc/16/03/75/738160375.db2.gz VCDYHRXZESUMCP-UHFFFAOYSA-N -1 1 361.423 2.950 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000786916572 739088780 /nfs/dbraw/zinc/08/87/80/739088780.db2.gz PBKGUBXDENNBQO-NSHDSACASA-N -1 1 358.313 2.908 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000808328115 741212795 /nfs/dbraw/zinc/21/27/95/741212795.db2.gz LJUZUKAKDJVDMV-LLVKDONJSA-N -1 1 356.297 2.662 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1Cl ZINC000809384857 741303882 /nfs/dbraw/zinc/30/38/82/741303882.db2.gz GPUZLWMDRRHSGB-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822108 741348641 /nfs/dbraw/zinc/34/86/41/741348641.db2.gz WQNSZDWNCLXEOF-QMMMGPOBSA-N -1 1 368.814 2.869 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809832316 741351021 /nfs/dbraw/zinc/35/10/21/741351021.db2.gz IPBPOGJTBLIJQE-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM COCCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809841371 741352529 /nfs/dbraw/zinc/35/25/29/741352529.db2.gz GYHJWWRMRMUUJD-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1Cl ZINC000811832244 741565262 /nfs/dbraw/zinc/56/52/62/741565262.db2.gz NNTBAYITYZGMJV-UHFFFAOYSA-N -1 1 356.743 2.778 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000813756639 741759770 /nfs/dbraw/zinc/75/97/70/741759770.db2.gz IDMYPGPQLCIQDU-UHFFFAOYSA-N -1 1 371.396 2.778 20 5 FFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000814977219 741877808 /nfs/dbraw/zinc/87/78/08/741877808.db2.gz YVSWSFVMBXZFHW-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000814980533 741878558 /nfs/dbraw/zinc/87/85/58/741878558.db2.gz OTIIFOJEAFFQSO-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000815027250 741885686 /nfs/dbraw/zinc/88/56/86/741885686.db2.gz ZEHRBIWBUZNPRM-ZETCQYMHSA-N -1 1 354.812 2.561 20 5 FFBDMM Cn1cc(C(F)F)c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826771822 743439309 /nfs/dbraw/zinc/43/93/09/743439309.db2.gz VZCNXOFNKBUFAD-UHFFFAOYSA-N -1 1 360.267 2.674 20 5 FFBDMM CC(C)(CCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)[N+](=O)[O-] ZINC000828742023 745108944 /nfs/dbraw/zinc/10/89/44/745108944.db2.gz ATGYULXUMLFAFX-UHFFFAOYSA-N -1 1 353.766 2.605 20 5 FFBDMM CC(C)(CCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)[N+](=O)[O-] ZINC000828742023 745108946 /nfs/dbraw/zinc/10/89/46/745108946.db2.gz ATGYULXUMLFAFX-UHFFFAOYSA-N -1 1 353.766 2.605 20 5 FFBDMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633679 745396104 /nfs/dbraw/zinc/39/61/04/745396104.db2.gz VOMYEDMVQRLUJJ-LBPRGKRZSA-N -1 1 371.242 2.587 20 5 FFBDMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831501506 745539229 /nfs/dbraw/zinc/53/92/29/745539229.db2.gz OPLIHSWVBKYUHS-POYBYMJQSA-N -1 1 371.267 2.931 20 5 FFBDMM COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)[C@H](C)[N+](=O)[O-])[n-]1 ZINC000845877092 748342518 /nfs/dbraw/zinc/34/25/18/748342518.db2.gz DRZQGTXCEJXPNG-LKFCYVNXSA-N -1 1 350.302 2.504 20 5 FFBDMM Cc1cnc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000848476768 748937041 /nfs/dbraw/zinc/93/70/41/748937041.db2.gz FVFKZHGCGYNJAB-UHFFFAOYSA-N -1 1 369.830 2.781 20 5 FFBDMM CCc1nc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000849920632 749259306 /nfs/dbraw/zinc/25/93/06/749259306.db2.gz DHJFDIJNHYIHTN-UHFFFAOYSA-N -1 1 366.374 2.831 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)cc1F ZINC001211611900 967964768 /nfs/dbraw/zinc/96/47/68/967964768.db2.gz OWDLFBHEBMTFEL-HIFRSBDPSA-N -1 1 374.434 2.914 20 5 FFBDMM Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001605084998 972731016 /nfs/dbraw/zinc/73/10/16/972731016.db2.gz RBWPNAZGPNYODA-KBPBESRZSA-N -1 1 363.414 2.807 20 5 FFBDMM CC[C@@H]1CN(CC)CCN1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595482773 981208684 /nfs/dbraw/zinc/20/86/84/981208684.db2.gz KEZNGRRZRDMOIK-CYBMUJFWSA-N -1 1 364.402 2.549 20 5 FFBDMM CC[C@H]1CN(CC)CCN1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595482774 981208740 /nfs/dbraw/zinc/20/87/40/981208740.db2.gz KEZNGRRZRDMOIK-ZDUSSCGKSA-N -1 1 364.402 2.549 20 5 FFBDMM Cc1cc(=NC(=O)c2cnc3ccccc3c2[O-])c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001127961888 985402318 /nfs/dbraw/zinc/40/23/18/985402318.db2.gz AHWPFJIEPDDLTL-UHFFFAOYSA-N -1 1 374.356 2.967 20 5 FFBDMM COC[C@H](C)OC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877730 987978211 /nfs/dbraw/zinc/97/82/11/987978211.db2.gz QNPLTHIBVBWGHN-DTWKUNHWSA-N -1 1 364.192 2.882 20 5 FFBDMM CC(C)CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001591367321 992390216 /nfs/dbraw/zinc/39/02/16/992390216.db2.gz WCARWYNQJOKQSW-NSHDSACASA-N -1 1 371.821 2.715 20 5 FFBDMM CN(CCc1cccc([N+](=O)[O-])c1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001598501112 992435927 /nfs/dbraw/zinc/43/59/27/992435927.db2.gz DPJMACXVTOVUBA-UHFFFAOYSA-N -1 1 354.366 2.775 20 5 FFBDMM C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1nc(C(=O)[O-])c2ccccc21 ZINC001598501973 992446505 /nfs/dbraw/zinc/44/65/05/992446505.db2.gz IWDSRCUZIVANKE-UHFFFAOYSA-N -1 1 354.366 2.775 20 5 FFBDMM CN(CCc1ccccc1[N+](=O)[O-])Cn1nc(C(=O)[O-])c2ccccc21 ZINC001598501973 992446506 /nfs/dbraw/zinc/44/65/06/992446506.db2.gz IWDSRCUZIVANKE-UHFFFAOYSA-N -1 1 354.366 2.775 20 5 FFBDMM COc1ccc(CN2CC[C@@H]2CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599561885 998212715 /nfs/dbraw/zinc/21/27/15/998212715.db2.gz RMYVPRSYKUCKKW-OAHLLOKOSA-N -1 1 371.393 2.988 20 5 FFBDMM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745333938 999905595 /nfs/dbraw/zinc/90/55/95/999905595.db2.gz PVBUUIRFZJLIKL-UHFFFAOYSA-N -1 1 355.302 2.693 20 5 FFBDMM CCOC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)[nH]c21 ZINC001134751465 1006463518 /nfs/dbraw/zinc/46/35/18/1006463518.db2.gz QFTQRSGGTSTHBU-UHFFFAOYSA-N -1 1 360.351 2.962 20 5 FFBDMM C[C@@H]1CN(CCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000818322955 1007901197 /nfs/dbraw/zinc/90/11/97/1007901197.db2.gz UAKXNXVHHNFTEA-HMDMIVDLSA-N -1 1 363.414 2.604 20 5 FFBDMM COc1cc(C(=O)NCCc2c(F)cc([O-])cc2F)cc([N+](=O)[O-])c1C ZINC001178785232 1009124997 /nfs/dbraw/zinc/12/49/97/1009124997.db2.gz QQXQMYGFZCGVCN-UHFFFAOYSA-N -1 1 366.320 2.868 20 5 FFBDMM COc1c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cccc1[N+](=O)[O-] ZINC000796307600 1011793594 /nfs/dbraw/zinc/79/35/94/1011793594.db2.gz VIUWDTSKPIXNNV-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000925266687 1017685296 /nfs/dbraw/zinc/68/52/96/1017685296.db2.gz WZSCWQBWNVHWEG-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccnc1-2 ZINC000801702845 1019266288 /nfs/dbraw/zinc/26/62/88/1019266288.db2.gz BUPKKCLNBUOUIO-UHFFFAOYSA-N -1 1 365.271 2.521 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076635 1019619791 /nfs/dbraw/zinc/61/97/91/1019619791.db2.gz SHWVOLLSESBJKW-GFCCVEGCSA-N -1 1 366.370 2.857 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCCC1=CCCCC1 ZINC000780076208 1019642301 /nfs/dbraw/zinc/64/23/01/1019642301.db2.gz SSROJHCHGODVLL-LBPRGKRZSA-N -1 1 362.382 2.852 20 5 FFBDMM CCc1cc2c(COC(=O)CCC(C)(C)[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000837922665 1026114717 /nfs/dbraw/zinc/11/47/17/1026114717.db2.gz HDEKEBPKXAJSJC-UHFFFAOYSA-N -1 1 363.366 2.940 20 5 FFBDMM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1Cl ZINC001160919580 1027924549 /nfs/dbraw/zinc/92/45/49/1027924549.db2.gz GTKQVHPYBWNPPG-LLVKDONJSA-N -1 1 365.773 2.936 20 5 FFBDMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]2C ZINC001153999897 1028103513 /nfs/dbraw/zinc/10/35/13/1028103513.db2.gz OAEVWNSVIWVCOV-MNOVXSKESA-N -1 1 357.366 2.852 20 5 FFBDMM O=C([N-]C1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1)C(F)(F)F ZINC001166896949 1030566425 /nfs/dbraw/zinc/56/64/25/1030566425.db2.gz PGAYCLRJCGLYSQ-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001151236001 1031895969 /nfs/dbraw/zinc/89/59/69/1031895969.db2.gz BRPANCFKVKLNIW-SFHVURJKSA-N -1 1 364.361 2.811 20 5 FFBDMM O=c1cc[n-]c(O[C@H]2CCCN(Cc3cnc(Cl)s3)C2)c1[N+](=O)[O-] ZINC001225664340 1034357192 /nfs/dbraw/zinc/35/71/92/1034357192.db2.gz NGRHTNFAVUGYRI-VIFPVBQESA-N -1 1 370.818 2.849 20 5 FFBDMM CCOC(=O)[C@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664507 1034360098 /nfs/dbraw/zinc/36/00/98/1034360098.db2.gz PMEKUZYSARHQQI-ZIAGYGMSSA-N -1 1 360.322 2.530 20 5 FFBDMM COc1c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)cccc1[N+](=O)[O-] ZINC001536135966 1069927337 /nfs/dbraw/zinc/92/73/37/1069927337.db2.gz ZMHNCLGLGFAOJW-SNVBAGLBSA-N -1 1 350.356 2.559 20 5 FFBDMM COC(=O)[C@H]1CCC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860921 1036366940 /nfs/dbraw/zinc/36/69/40/1036366940.db2.gz XYCXVFUQAUZJKU-YUMQZZPRSA-N -1 1 364.276 2.825 20 5 FFBDMM O=[N+]([O-])C[C@@H](Oc1ccccc1S(=O)(=O)c1ccc([O-])cc1)C1CC1 ZINC001229581569 1036757418 /nfs/dbraw/zinc/75/74/18/1036757418.db2.gz JQQHGLUSZQTLCL-MRXNPFEDSA-N -1 1 363.391 2.659 20 5 FFBDMM C=CC(=O)OC[C@@H](C)Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234742461 1037161549 /nfs/dbraw/zinc/16/15/49/1037161549.db2.gz PXWQVDSFKYNCFH-SNVBAGLBSA-N -1 1 356.330 2.854 20 5 FFBDMM CC1=C[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)CC(=O)O1 ZINC001234742149 1037162142 /nfs/dbraw/zinc/16/21/42/1037162142.db2.gz MXSIRGGWEHCPKE-LLVKDONJSA-N -1 1 354.314 2.956 20 5 FFBDMM COC(=O)C1CC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234748119 1037163723 /nfs/dbraw/zinc/16/37/23/1037163723.db2.gz PGFSYCMWWGQIJS-UHFFFAOYSA-N -1 1 356.330 2.688 20 5 FFBDMM O=c1c2ccc(O)c(O[C@@H]3CCn4ccnc43)c2oc2cc([O-])cc(O)c12 ZINC001234754154 1037169968 /nfs/dbraw/zinc/16/99/68/1037169968.db2.gz VFEQQAQPWNYMON-CYBMUJFWSA-N -1 1 366.329 2.783 20 5 FFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1COc2cnccc21 ZINC001234876445 1037218553 /nfs/dbraw/zinc/21/85/53/1037218553.db2.gz YQVYOUCCYPADNF-LBPRGKRZSA-N -1 1 353.128 2.970 20 5 FFBDMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001251411338 1039116154 /nfs/dbraw/zinc/11/61/54/1039116154.db2.gz OMPMPZLDDCSNTN-UHFFFAOYSA-N -1 1 358.745 2.535 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)cc1Cl ZINC001309578486 1043441834 /nfs/dbraw/zinc/44/18/34/1043441834.db2.gz XRFKOBNWFXGHCN-GMSGAONNSA-N -1 1 360.750 2.815 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1OCc2ccccc21 ZINC001309950103 1043604959 /nfs/dbraw/zinc/60/49/59/1043604959.db2.gz CKSLQAQIGFSTDW-AWEZNQCLSA-N -1 1 368.798 2.798 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001323233215 1045513570 /nfs/dbraw/zinc/51/35/70/1045513570.db2.gz HFZIDFJVXRRLNF-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM CCOc1cc(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)on1 ZINC001521247655 1060489957 /nfs/dbraw/zinc/48/99/57/1060489957.db2.gz ITPWDHNMLRCBKI-UHFFFAOYSA-N -1 1 356.132 2.996 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ncc(Cl)s1 ZINC001464425184 1062605735 /nfs/dbraw/zinc/60/57/35/1062605735.db2.gz AUTTXOXYYLXRKA-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM O=C(c1ccc2n[n-]c(=S)n2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001556051941 1075695090 /nfs/dbraw/zinc/69/50/90/1075695090.db2.gz AZZFXFKHFRHYKO-UHFFFAOYSA-N -1 1 369.406 2.731 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)cc1F ZINC001561419435 1076374751 /nfs/dbraw/zinc/37/47/51/1076374751.db2.gz VCAYNTOLYTYXHY-UHFFFAOYSA-N -1 1 374.434 2.654 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801947 1080757418 /nfs/dbraw/zinc/75/74/18/1080757418.db2.gz DSRHNEALCJEXAS-CABZTGNLSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801947 1080757425 /nfs/dbraw/zinc/75/74/25/1080757425.db2.gz DSRHNEALCJEXAS-CABZTGNLSA-N -1 1 360.399 2.761 20 5 FFBDMM CCN1CCN(c2ccccc2NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000281097167 256602567 /nfs/dbraw/zinc/60/25/67/256602567.db2.gz FMFHXXWKEIWVAX-UHFFFAOYSA-N -1 1 370.409 2.695 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288721953 257220564 /nfs/dbraw/zinc/22/05/64/257220564.db2.gz YXAFLBWJIJMLJK-UHFFFAOYSA-N -1 1 371.802 2.594 20 5 FFBDMM O=C([N-]C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000289656124 257292396 /nfs/dbraw/zinc/29/23/96/257292396.db2.gz IMGMTNCIJDPLHT-SNVBAGLBSA-N -1 1 374.319 2.517 20 5 FFBDMM C[C@@H](CCO)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296278106 257690373 /nfs/dbraw/zinc/69/03/73/257690373.db2.gz QVPBQUNSXQCJQH-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM CC(C)n1c(CCNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[n-]c1=S ZINC000067074179 506747917 /nfs/dbraw/zinc/74/79/17/506747917.db2.gz CRSLHUUFRWIOSW-VMPITWQZSA-N -1 1 361.427 2.802 20 5 FFBDMM Cn1c(C2CCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000068427207 507226606 /nfs/dbraw/zinc/22/66/06/507226606.db2.gz IPGNRTXJURHMFX-QPJJXVBHSA-N -1 1 373.438 2.805 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000047211424 507283891 /nfs/dbraw/zinc/28/38/91/507283891.db2.gz CZZBTIPBSVLPDO-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000024577501 507421246 /nfs/dbraw/zinc/42/12/46/507421246.db2.gz GDYPTHOMEOWZOG-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000112707632 508213729 /nfs/dbraw/zinc/21/37/29/508213729.db2.gz XMOMGABRVSMXIA-MRVPVSSYSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000156773930 508475392 /nfs/dbraw/zinc/47/53/92/508475392.db2.gz DEYSOVVBPBMAFL-UHFFFAOYSA-N -1 1 372.406 2.765 20 5 FFBDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000127841476 508509075 /nfs/dbraw/zinc/50/90/75/508509075.db2.gz JANSOFBYPJAJNH-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000153189289 508557266 /nfs/dbraw/zinc/55/72/66/508557266.db2.gz AYLKRGDQHWEXSG-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000185744968 509334610 /nfs/dbraw/zinc/33/46/10/509334610.db2.gz WVJDXKDYKFBQBW-OAHLLOKOSA-N -1 1 368.411 2.880 20 5 FFBDMM CCCc1[nH]nc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000176430971 509506424 /nfs/dbraw/zinc/50/64/24/509506424.db2.gz HRVYLVSSUULBEH-UHFFFAOYSA-N -1 1 369.175 2.991 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)cc1[N+](=O)[O-] ZINC000192552114 509553564 /nfs/dbraw/zinc/55/35/64/509553564.db2.gz LLFAIWYRMZJALA-UHFFFAOYSA-N -1 1 363.351 2.854 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186163353 509553902 /nfs/dbraw/zinc/55/39/02/509553902.db2.gz PRUARVCWYWSNGF-LLVKDONJSA-N -1 1 362.835 2.876 20 5 FFBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000174029795 509912894 /nfs/dbraw/zinc/91/28/94/509912894.db2.gz MZPCWNKMYHBEPB-QWRGUYRKSA-N -1 1 360.457 2.672 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000193589025 509980172 /nfs/dbraw/zinc/98/01/72/509980172.db2.gz DRZMSRARZDLCCM-UHFFFAOYSA-N -1 1 361.329 2.518 20 5 FFBDMM Cc1ccc(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000193593110 509981459 /nfs/dbraw/zinc/98/14/59/509981459.db2.gz ZPCXYDJMBSBDRM-UHFFFAOYSA-N -1 1 357.366 2.687 20 5 FFBDMM CCO[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(CC)CC ZINC000193681210 510017141 /nfs/dbraw/zinc/01/71/41/510017141.db2.gz CNEOJSLJQFLUEW-UONOGXRCSA-N -1 1 351.403 2.751 20 5 FFBDMM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193751394 510049816 /nfs/dbraw/zinc/04/98/16/510049816.db2.gz JYQNDCREQBZTHK-IUODEOHRSA-N -1 1 357.366 2.593 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000184704761 510473501 /nfs/dbraw/zinc/47/35/01/510473501.db2.gz HUGUDCSOFMWICK-CYBMUJFWSA-N -1 1 366.381 2.982 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(OCC2CC2)cn1 ZINC000284060637 511592145 /nfs/dbraw/zinc/59/21/45/511592145.db2.gz YNDMJLRMRXXCAG-UHFFFAOYSA-N -1 1 350.281 2.704 20 5 FFBDMM O=C([N-]CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281451324 511853095 /nfs/dbraw/zinc/85/30/95/511853095.db2.gz UQVIHLXJGMYXID-UHFFFAOYSA-N -1 1 374.319 2.517 20 5 FFBDMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000327547155 511877820 /nfs/dbraw/zinc/87/78/20/511877820.db2.gz ADCWBYBURPIKMN-UHFFFAOYSA-N -1 1 368.342 2.552 20 5 FFBDMM COc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000274903175 511981691 /nfs/dbraw/zinc/98/16/91/511981691.db2.gz QLDDKOOTCUEMOC-AWEZNQCLSA-N -1 1 373.365 2.690 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ncccc2Cl)CC1 ZINC000372936708 513109278 /nfs/dbraw/zinc/10/92/78/513109278.db2.gz QNEKUVSCLNGOPE-UHFFFAOYSA-N -1 1 362.773 2.764 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000415654855 513364524 /nfs/dbraw/zinc/36/45/24/513364524.db2.gz YNCHZRVLXFYOLR-UHFFFAOYSA-N -1 1 364.333 2.550 20 5 FFBDMM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445136997 514424400 /nfs/dbraw/zinc/42/44/00/514424400.db2.gz NVBHYLLQINVKOR-LKFCYVNXSA-N -1 1 365.773 2.855 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000471117146 514758895 /nfs/dbraw/zinc/75/88/95/514758895.db2.gz SSJQARSKFWYPCT-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1Br ZINC000479987343 514800889 /nfs/dbraw/zinc/80/08/89/514800889.db2.gz FKEWYGRYYXBWGV-UHFFFAOYSA-N -1 1 373.594 2.970 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)c([N+](=O)[O-])n1 ZINC000462290306 514976760 /nfs/dbraw/zinc/97/67/60/514976760.db2.gz SGJTVQUOAXWKAQ-ZDUSSCGKSA-N -1 1 356.448 2.593 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000503812381 515145730 /nfs/dbraw/zinc/14/57/30/515145730.db2.gz IRPSVXMRWUMVAB-LBPRGKRZSA-N -1 1 374.802 2.897 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000490525305 515237883 /nfs/dbraw/zinc/23/78/83/515237883.db2.gz ASUQZZMYAFTVGK-UHFFFAOYSA-N -1 1 353.400 2.631 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1Br ZINC000473966626 515824990 /nfs/dbraw/zinc/82/49/90/515824990.db2.gz DAAPLACDXAWETF-UHFFFAOYSA-N -1 1 373.594 2.970 20 5 FFBDMM CC[C@@H](C)n1nc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)cc1C ZINC000483222333 515992725 /nfs/dbraw/zinc/99/27/25/515992725.db2.gz IJDIGAHSIAMMCK-SNVBAGLBSA-N -1 1 369.385 2.530 20 5 FFBDMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536197105 516670817 /nfs/dbraw/zinc/67/08/17/516670817.db2.gz HREJMJBFSOGFBR-UHFFFAOYSA-N -1 1 364.379 2.803 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCc1ccc(F)c(F)c1 ZINC000548452358 516995068 /nfs/dbraw/zinc/99/50/68/516995068.db2.gz KPFHJGBIOZSVSB-UHFFFAOYSA-N -1 1 371.365 2.569 20 5 FFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000548474440 517005709 /nfs/dbraw/zinc/00/57/09/517005709.db2.gz YXTWXZGJSJTBLI-NSHDSACASA-N -1 1 356.322 2.613 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)[n-]1 ZINC000544992029 517013066 /nfs/dbraw/zinc/01/30/66/517013066.db2.gz FOPDDYOVXLAIFG-UHFFFAOYSA-N -1 1 362.729 2.988 20 5 FFBDMM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548841195 517248815 /nfs/dbraw/zinc/24/88/15/517248815.db2.gz KUQQVCGGRXZOES-SNVBAGLBSA-N -1 1 353.425 2.751 20 5 FFBDMM C[C@H]1C[C@]1([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548842341 517249782 /nfs/dbraw/zinc/24/97/82/517249782.db2.gz QRAOQWZNYXNEPY-ZUZCIYMTSA-N -1 1 367.814 2.857 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000515696869 517451034 /nfs/dbraw/zinc/45/10/34/517451034.db2.gz GBSANKBXANFCNH-UHFFFAOYSA-N -1 1 374.321 2.691 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000563206059 517733606 /nfs/dbraw/zinc/73/36/06/517733606.db2.gz IADSVDQBVFJGGR-CQSZACIVSA-N -1 1 360.370 2.920 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1CN1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000516575912 517751797 /nfs/dbraw/zinc/75/17/97/517751797.db2.gz GNRUKCJSYWHFLF-UHFFFAOYSA-N -1 1 374.397 2.644 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1C ZINC000577253027 518988505 /nfs/dbraw/zinc/98/85/05/518988505.db2.gz MXSBKQIEQAIISR-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)c([N+](=O)[O-])n1 ZINC000594792167 520160020 /nfs/dbraw/zinc/16/00/20/520160020.db2.gz LEXRMJOOAKIDSM-ZDUSSCGKSA-N -1 1 356.448 2.593 20 5 FFBDMM CC(C)OC(=O)C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000609547459 520353770 /nfs/dbraw/zinc/35/37/70/520353770.db2.gz OAIOOPOVZBRQFE-HNNXBMFYSA-N -1 1 373.365 2.508 20 5 FFBDMM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000595352898 520423496 /nfs/dbraw/zinc/42/34/96/520423496.db2.gz FZOXZRRGOSMBIX-IAGOWNOFSA-N -1 1 364.423 2.631 20 5 FFBDMM CC(C)n1cnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000593230165 520844625 /nfs/dbraw/zinc/84/46/25/520844625.db2.gz QBRUACMRLXUFMT-UHFFFAOYSA-N -1 1 373.291 2.961 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000611104917 520987301 /nfs/dbraw/zinc/98/73/01/520987301.db2.gz VGJCIJPCTCZCMZ-ZDUSSCGKSA-N -1 1 352.416 2.549 20 5 FFBDMM CCC(CC)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599215859 521091453 /nfs/dbraw/zinc/09/14/53/521091453.db2.gz JNQPXHUEPQAQIL-HNNXBMFYSA-N -1 1 366.443 2.784 20 5 FFBDMM O=C([C@H]1CC12CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611532349 521206816 /nfs/dbraw/zinc/20/68/16/521206816.db2.gz WCJDSABCEQUWCJ-QGZVFWFLSA-N -1 1 373.453 2.915 20 5 FFBDMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000611592235 521241496 /nfs/dbraw/zinc/24/14/96/521241496.db2.gz KULPZRLYJGWMRA-UHFFFAOYSA-N -1 1 359.292 2.834 20 5 FFBDMM CCN(CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])CCC(F)(F)F ZINC000516869426 562061679 /nfs/dbraw/zinc/06/16/79/562061679.db2.gz IQPOUHUPEGJSCB-UHFFFAOYSA-N -1 1 364.324 2.683 20 5 FFBDMM CCOc1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000825637967 607447942 /nfs/dbraw/zinc/44/79/42/607447942.db2.gz DFUQNKXOELTKNR-UHFFFAOYSA-N -1 1 354.370 2.810 20 5 FFBDMM CCOc1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000825637967 607447944 /nfs/dbraw/zinc/44/79/44/607447944.db2.gz DFUQNKXOELTKNR-UHFFFAOYSA-N -1 1 354.370 2.810 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826498670 607450941 /nfs/dbraw/zinc/45/09/41/607450941.db2.gz FBCUZZROCXFLRX-CQSZACIVSA-N -1 1 350.382 2.986 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826498670 607450942 /nfs/dbraw/zinc/45/09/42/607450942.db2.gz FBCUZZROCXFLRX-CQSZACIVSA-N -1 1 350.382 2.986 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccccc4c3C2)cc1-c1nnn[n-]1 ZINC000826498709 607451014 /nfs/dbraw/zinc/45/10/14/607451014.db2.gz GJZIAZARXHOCIX-UHFFFAOYSA-N -1 1 361.365 2.819 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccccc4c3C2)cc1-c1nn[n-]n1 ZINC000826498709 607451015 /nfs/dbraw/zinc/45/10/15/607451015.db2.gz GJZIAZARXHOCIX-UHFFFAOYSA-N -1 1 361.365 2.819 20 5 FFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC000824992632 607451966 /nfs/dbraw/zinc/45/19/66/607451966.db2.gz NJYVQSZCDJGDCJ-PXAZEXFGSA-N -1 1 366.381 2.741 20 5 FFBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)O1 ZINC000824992632 607451968 /nfs/dbraw/zinc/45/19/68/607451968.db2.gz NJYVQSZCDJGDCJ-PXAZEXFGSA-N -1 1 366.381 2.741 20 5 FFBDMM Cc1ccc2nc(CNc3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000832958794 600804821 /nfs/dbraw/zinc/80/48/21/600804821.db2.gz JOFVALLRNOKRDQ-UHFFFAOYSA-N -1 1 371.309 2.998 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)cc1F ZINC000746352244 601829947 /nfs/dbraw/zinc/82/99/47/601829947.db2.gz APKMIWBZCVGBAH-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000740095151 602869451 /nfs/dbraw/zinc/86/94/51/602869451.db2.gz YJPOXYKTDXTSBG-UHFFFAOYSA-N -1 1 351.340 2.794 20 5 FFBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410191 604945760 /nfs/dbraw/zinc/94/57/60/604945760.db2.gz AYQSHCANSMZISR-OLZOCXBDSA-N -1 1 363.414 2.745 20 5 FFBDMM O=[N+]([O-])c1cc(NC[C@@H](O)c2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000823635481 606645088 /nfs/dbraw/zinc/64/50/88/606645088.db2.gz XQVNWCRXPPAAOH-CQSZACIVSA-N -1 1 360.761 2.574 20 5 FFBDMM CC(C)N(C)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000820111602 606705965 /nfs/dbraw/zinc/70/59/65/606705965.db2.gz BTMGJVXPTHNLIU-UHFFFAOYSA-N -1 1 372.364 2.897 20 5 FFBDMM CC(C)N(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000820111602 606705967 /nfs/dbraw/zinc/70/59/67/606705967.db2.gz BTMGJVXPTHNLIU-UHFFFAOYSA-N -1 1 372.364 2.897 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](Cc2ccccc2)C1 ZINC000823620470 606709076 /nfs/dbraw/zinc/70/90/76/606709076.db2.gz LHMCSQVDPBNTGU-CQSZACIVSA-N -1 1 365.397 2.629 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](Cc2ccccc2)C1 ZINC000823620470 606709078 /nfs/dbraw/zinc/70/90/78/606709078.db2.gz LHMCSQVDPBNTGU-CQSZACIVSA-N -1 1 365.397 2.629 20 5 FFBDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820668455 606711782 /nfs/dbraw/zinc/71/17/82/606711782.db2.gz SSWAJNBMHKNYTB-CMPLNLGQSA-N -1 1 369.360 2.691 20 5 FFBDMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820668455 606711784 /nfs/dbraw/zinc/71/17/84/606711784.db2.gz SSWAJNBMHKNYTB-CMPLNLGQSA-N -1 1 369.360 2.691 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-c2cccnc2)cc1 ZINC000823624734 606714367 /nfs/dbraw/zinc/71/43/67/606714367.db2.gz HUDDEKTZQSEPDB-UHFFFAOYSA-N -1 1 374.364 2.844 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-c2cccnc2)cc1 ZINC000823624734 606714370 /nfs/dbraw/zinc/71/43/70/606714370.db2.gz HUDDEKTZQSEPDB-UHFFFAOYSA-N -1 1 374.364 2.844 20 5 FFBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820461081 606718261 /nfs/dbraw/zinc/71/82/61/606718261.db2.gz FALIWUITXLZPLU-AMJWSMQMSA-N -1 1 367.369 2.535 20 5 FFBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820461081 606718263 /nfs/dbraw/zinc/71/82/63/606718263.db2.gz FALIWUITXLZPLU-AMJWSMQMSA-N -1 1 367.369 2.535 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(Cc2ccccc2Cl)C1 ZINC000823615038 606719738 /nfs/dbraw/zinc/71/97/38/606719738.db2.gz YOWGJHMHKWWOQU-UHFFFAOYSA-N -1 1 371.788 2.502 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(Cc2ccccc2Cl)C1 ZINC000823615038 606719739 /nfs/dbraw/zinc/71/97/39/606719739.db2.gz YOWGJHMHKWWOQU-UHFFFAOYSA-N -1 1 371.788 2.502 20 5 FFBDMM CN(Cc1ccc(Cl)s1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821610710 607162705 /nfs/dbraw/zinc/16/27/05/607162705.db2.gz BFEVZGSCMIYCLV-UHFFFAOYSA-N -1 1 351.779 2.521 20 5 FFBDMM CN(Cc1ccc(Cl)s1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821610710 607162707 /nfs/dbraw/zinc/16/27/07/607162707.db2.gz BFEVZGSCMIYCLV-UHFFFAOYSA-N -1 1 351.779 2.521 20 5 FFBDMM CC(C)Oc1cccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000824334455 607903509 /nfs/dbraw/zinc/90/35/09/607903509.db2.gz UUCIWAOWOFYRCT-UHFFFAOYSA-N -1 1 369.385 2.594 20 5 FFBDMM CC(C)Oc1cccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000824334455 607903510 /nfs/dbraw/zinc/90/35/10/607903510.db2.gz UUCIWAOWOFYRCT-UHFFFAOYSA-N -1 1 369.385 2.594 20 5 FFBDMM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158135995 728883038 /nfs/dbraw/zinc/88/30/38/728883038.db2.gz FEYUGKSDHWATRE-BDAKNGLRSA-N -1 1 362.454 2.508 20 5 FFBDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746966684 735520931 /nfs/dbraw/zinc/52/09/31/735520931.db2.gz BZRLSDSOGWJZQR-UHFFFAOYSA-N -1 1 374.371 2.524 20 5 FFBDMM COc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101568184 728486387 /nfs/dbraw/zinc/48/63/87/728486387.db2.gz DTCBNVQZPROZLB-UHFFFAOYSA-N -1 1 370.814 2.778 20 5 FFBDMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111367760 728536063 /nfs/dbraw/zinc/53/60/63/728536063.db2.gz JOZRLHMLUMKWHB-MEBBXXQBSA-N -1 1 350.371 2.946 20 5 FFBDMM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120334353 728609833 /nfs/dbraw/zinc/60/98/33/728609833.db2.gz LMJMYTKXJKSVRB-SNVBAGLBSA-N -1 1 372.472 2.956 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121405850 728626249 /nfs/dbraw/zinc/62/62/49/728626249.db2.gz HFNJPZZOFDVTNU-UHFFFAOYSA-N -1 1 358.173 2.553 20 5 FFBDMM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000131960238 728723340 /nfs/dbraw/zinc/72/33/40/728723340.db2.gz WJFISEWNFBCWRK-ZDUSSCGKSA-N -1 1 366.370 2.708 20 5 FFBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000132279330 728724136 /nfs/dbraw/zinc/72/41/36/728724136.db2.gz YCDITXSJHRGQNH-SCZZXKLOSA-N -1 1 363.233 2.824 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000178197815 729156653 /nfs/dbraw/zinc/15/66/53/729156653.db2.gz KLCXQUIDCDLDGW-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc12 ZINC000180355345 729212044 /nfs/dbraw/zinc/21/20/44/729212044.db2.gz KEFHXPVQHJLLJE-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1c(F)cccc1F ZINC000194349686 729508100 /nfs/dbraw/zinc/50/81/00/729508100.db2.gz SBXSTPGSAVYAOK-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM Cn1cc(-c2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cs2)cn1 ZINC000780068138 738513001 /nfs/dbraw/zinc/51/30/01/738513001.db2.gz KMCYDUQDFOKTDN-UHFFFAOYSA-N -1 1 360.351 2.514 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000882761737 733289303 /nfs/dbraw/zinc/28/93/03/733289303.db2.gz JXBCXNGRMPKFLU-DGCLKSJQSA-N -1 1 360.407 2.526 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc2C1 ZINC000735318138 734941569 /nfs/dbraw/zinc/94/15/69/734941569.db2.gz ZIMNNAOGLWNGBW-LBPRGKRZSA-N -1 1 364.398 2.817 20 5 FFBDMM CCc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000736340553 734982697 /nfs/dbraw/zinc/98/26/97/734982697.db2.gz JIDVAICWHUKJPZ-UHFFFAOYSA-N -1 1 352.387 2.817 20 5 FFBDMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000784418580 738889971 /nfs/dbraw/zinc/88/99/71/738889971.db2.gz QWDAQHJFAXFBKL-GHMZBOCLSA-N -1 1 362.835 2.732 20 5 FFBDMM CCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757728129 736423107 /nfs/dbraw/zinc/42/31/07/736423107.db2.gz OUIMRMXCPUBYGB-UHFFFAOYSA-N -1 1 369.212 2.965 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000764287672 737008658 /nfs/dbraw/zinc/00/86/58/737008658.db2.gz LPYOUTCWFNXVNT-UHFFFAOYSA-N -1 1 356.747 2.529 20 5 FFBDMM CCCCCn1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)n1 ZINC000768882353 737471719 /nfs/dbraw/zinc/47/17/19/737471719.db2.gz GLVPVMQXLLCNCU-UHFFFAOYSA-N -1 1 372.472 2.830 20 5 FFBDMM C[C@H](Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000768891593 737473476 /nfs/dbraw/zinc/47/34/76/737473476.db2.gz QGNIQJIXDAEISO-SECBINFHSA-N -1 1 370.408 2.720 20 5 FFBDMM CC(C)n1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000768892530 737473496 /nfs/dbraw/zinc/47/34/96/737473496.db2.gz VEZCQCLBKSOBEI-LBPRGKRZSA-N -1 1 370.456 2.790 20 5 FFBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923246834 738260555 /nfs/dbraw/zinc/26/05/55/738260555.db2.gz BPMBFDHMBWNTBN-KOLCDFICSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C(=O)[O-] ZINC000923252257 738261753 /nfs/dbraw/zinc/26/17/53/738261753.db2.gz KRDVFLBKXPKKIA-CABZTGNLSA-N -1 1 357.204 2.900 20 5 FFBDMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000786974757 739094352 /nfs/dbraw/zinc/09/43/52/739094352.db2.gz IHHYTDPIBWWFEI-UHFFFAOYSA-N -1 1 371.242 2.729 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795389641 740015355 /nfs/dbraw/zinc/01/53/55/740015355.db2.gz XKZNQUQRQRVEKV-JTQLQIEISA-N -1 1 354.359 2.896 20 5 FFBDMM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000801704818 740643357 /nfs/dbraw/zinc/64/33/57/740643357.db2.gz VAIPTTPWLCVJNM-GHMZBOCLSA-N -1 1 360.407 2.606 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808342024 741216190 /nfs/dbraw/zinc/21/61/90/741216190.db2.gz ZEQLIQCPJDMSIH-IINYFYTJSA-N -1 1 370.814 2.649 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808342021 741216258 /nfs/dbraw/zinc/21/62/58/741216258.db2.gz ZEQLIQCPJDMSIH-HZMBPMFUSA-N -1 1 370.814 2.649 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(Cl)cc1Cl ZINC000809840360 741352249 /nfs/dbraw/zinc/35/22/49/741352249.db2.gz RHBCJLUURCFMPD-ZETCQYMHSA-N -1 1 371.267 2.933 20 5 FFBDMM O=c1cc(/C=C\c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc2nc[n-]n21 ZINC000811687901 741548634 /nfs/dbraw/zinc/54/86/34/741548634.db2.gz KEOSEOMGROPYEE-UPHRSURJSA-N -1 1 352.137 2.803 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCS1 ZINC000815026450 741885262 /nfs/dbraw/zinc/88/52/62/741885262.db2.gz RKYCMKOURLMRED-LBPRGKRZSA-N -1 1 368.839 2.951 20 5 FFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000815027874 741885776 /nfs/dbraw/zinc/88/57/76/741885776.db2.gz YFYGUPVUCZFWMH-MRVPVSSYSA-N -1 1 366.798 2.623 20 5 FFBDMM CCCCOCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830227254 745326475 /nfs/dbraw/zinc/32/64/75/745326475.db2.gz FFFXMJXVUKOPMF-UHFFFAOYSA-N -1 1 371.242 2.997 20 5 FFBDMM CO[C@@](C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000832160663 745648284 /nfs/dbraw/zinc/64/82/84/745648284.db2.gz OIWOTZMNNCENOW-INIZCTEOSA-N -1 1 368.386 2.574 20 5 FFBDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849451500 749158912 /nfs/dbraw/zinc/15/89/12/749158912.db2.gz IFPMBFJUGOZTGX-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000057019618 845362682 /nfs/dbraw/zinc/36/26/82/845362682.db2.gz NGETVHMZTCIYSN-ZDUSSCGKSA-N -1 1 354.334 2.839 20 5 FFBDMM O=C([O-])CC[C@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001595012644 951266016 /nfs/dbraw/zinc/26/60/16/951266016.db2.gz PKMVZKVAIZBVFQ-GFCCVEGCSA-N -1 1 360.370 2.864 20 5 FFBDMM O=C([O-])[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001606382673 973833709 /nfs/dbraw/zinc/83/37/09/973833709.db2.gz CDYGPPIIGKUEBS-SECBINFHSA-N -1 1 366.761 2.595 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c3ccccc3oc2C(N)=O)c1 ZINC000067541460 974165918 /nfs/dbraw/zinc/16/59/18/974165918.db2.gz QMYMULWRNCJGLR-UHFFFAOYSA-N -1 1 355.306 2.701 20 5 FFBDMM COc1cc(C(=O)[N-]c2nc(C)n(-c3ccccc3)n2)c([N+](=O)[O-])cc1F ZINC001129226068 990604754 /nfs/dbraw/zinc/60/47/54/990604754.db2.gz BDNDCDYPMRFQNS-UHFFFAOYSA-N -1 1 371.328 2.884 20 5 FFBDMM COc1cccc2c1CC[C@@H]2NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599690445 991060768 /nfs/dbraw/zinc/06/07/68/991060768.db2.gz GAMRROXFKPJPCS-HNNXBMFYSA-N -1 1 372.377 2.844 20 5 FFBDMM C[C@@](NC(=O)c1ccc(Cl)c(O)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593162515 993997486 /nfs/dbraw/zinc/99/74/86/993997486.db2.gz KUMKLSUQDBOGEM-INIZCTEOSA-N -1 1 364.741 2.684 20 5 FFBDMM COC(=O)c1cccc([C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC001598994572 998767470 /nfs/dbraw/zinc/76/74/70/998767470.db2.gz HVFDGIWFOUJLBN-BZNIZROVSA-N -1 1 358.350 2.858 20 5 FFBDMM O=C([O-])[C@@]12C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]1COCC2 ZINC000846287704 1000254638 /nfs/dbraw/zinc/25/46/38/1000254638.db2.gz SHXSLQOXQCNXFZ-NHYWBVRUSA-N -1 1 374.315 2.537 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000769047422 1000414129 /nfs/dbraw/zinc/41/41/29/1000414129.db2.gz NWAZRKRKPZJPOK-LBPRGKRZSA-N -1 1 358.350 2.504 20 5 FFBDMM COc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc([N+](=O)[O-])c1C ZINC001129638907 1003732386 /nfs/dbraw/zinc/73/23/86/1003732386.db2.gz FEWIJOICWBGKDO-UHFFFAOYSA-N -1 1 358.354 2.539 20 5 FFBDMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC1CCCCC1 ZINC001194097930 1004659405 /nfs/dbraw/zinc/65/94/05/1004659405.db2.gz UFHYGDMOKDUMDX-UHFFFAOYSA-N -1 1 358.391 2.552 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001195472102 1004971206 /nfs/dbraw/zinc/97/12/06/1004971206.db2.gz JGLCRGINBIIORU-JTQLQIEISA-N -1 1 356.350 2.955 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccco1 ZINC001188545802 1006619860 /nfs/dbraw/zinc/61/98/60/1006619860.db2.gz AVPGPUKGHOIBOF-GFCCVEGCSA-N -1 1 372.374 2.691 20 5 FFBDMM O=C([O-])c1ccc(F)c2c1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000863473318 1010218676 /nfs/dbraw/zinc/21/86/76/1010218676.db2.gz IZAOOJAJXZFGLY-QGZVFWFLSA-N -1 1 360.341 2.524 20 5 FFBDMM Cc1ccc(N2CC[C@@H](OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000780074211 1019521797 /nfs/dbraw/zinc/52/17/97/1019521797.db2.gz HXYQFXHQWPGBIK-MRXNPFEDSA-N -1 1 356.334 2.571 20 5 FFBDMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]2C ZINC001153999896 1028103294 /nfs/dbraw/zinc/10/32/94/1028103294.db2.gz OAEVWNSVIWVCOV-GHMZBOCLSA-N -1 1 357.366 2.852 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC001535545682 1069827383 /nfs/dbraw/zinc/82/73/83/1069827383.db2.gz XRDDJRAFYQWROE-LLVKDONJSA-N -1 1 350.356 2.559 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])[C@H]2C1 ZINC001225664478 1034357391 /nfs/dbraw/zinc/35/73/91/1034357391.db2.gz OXPZSTKUSPRIIJ-GMXVVIOVSA-N -1 1 365.386 2.720 20 5 FFBDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663841 1034357612 /nfs/dbraw/zinc/35/76/12/1034357612.db2.gz HSYVTFIXQGHQAF-CMPLNLGQSA-N -1 1 353.375 2.720 20 5 FFBDMM C[C@H](c1ccccc1)N1C[C@H](COc2[n-]ccc(=O)c2[N+](=O)[O-])OC1=O ZINC001225664989 1034358901 /nfs/dbraw/zinc/35/89/01/1034358901.db2.gz WCSWRUCPBOSDJR-DGCLKSJQSA-N -1 1 359.338 2.656 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC[C@H]1CCc2ccccc2O1 ZINC001226307426 1034623672 /nfs/dbraw/zinc/62/36/72/1034623672.db2.gz MDCBWBRTSALBIQ-GFCCVEGCSA-N -1 1 374.349 2.645 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC[C@@H]1CCc2ccccc2O1 ZINC001226307427 1034624004 /nfs/dbraw/zinc/62/40/04/1034624004.db2.gz MDCBWBRTSALBIQ-LBPRGKRZSA-N -1 1 374.349 2.645 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3[n-]c(=S)nc4ccccc43)C2)nc1 ZINC001228766898 1036312795 /nfs/dbraw/zinc/31/27/95/1036312795.db2.gz WMPMLTFHOWWGIX-LBPRGKRZSA-N -1 1 369.406 2.879 20 5 FFBDMM CCOC(=O)[C@H]1CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860550 1036366676 /nfs/dbraw/zinc/36/66/76/1036366676.db2.gz VQUFUCAMIQCRQN-YUMQZZPRSA-N -1 1 364.276 2.825 20 5 FFBDMM Cc1nc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380077 1036642101 /nfs/dbraw/zinc/64/21/01/1036642101.db2.gz ZEPCNXGEGFSMDG-CYBMUJFWSA-N -1 1 362.361 2.581 20 5 FFBDMM CO[C@H](C)CO[C@H](C)COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875415 1037216493 /nfs/dbraw/zinc/21/64/93/1037216493.db2.gz RGIDJBCMBIMEDS-RKDXNWHRSA-N -1 1 364.192 2.882 20 5 FFBDMM CN1CCN(c2cccc3[nH]c(-c4cccc([N+](=O)[O-])c4[O-])nc32)CC1 ZINC001251271675 1039043176 /nfs/dbraw/zinc/04/31/76/1039043176.db2.gz JDMYATZAXYIWGA-UHFFFAOYSA-N -1 1 353.382 2.596 20 5 FFBDMM Cc1cc(N2CCOCC2)cc2[nH]c(-c3cccc([N+](=O)[O-])c3[O-])nc21 ZINC001251271878 1039044282 /nfs/dbraw/zinc/04/42/82/1039044282.db2.gz MZHXUWJNKKHFAE-UHFFFAOYSA-N -1 1 354.366 2.989 20 5 FFBDMM Cn1cccc1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001210211995 1039429763 /nfs/dbraw/zinc/42/97/63/1039429763.db2.gz LKEQJTPRUPPBRE-UHFFFAOYSA-N -1 1 364.210 2.719 20 5 FFBDMM CCOC(=O)c1cc(Nc2cc(=O)[n-]c(SC)n2)cc([N+](=O)[O-])c1 ZINC001211367804 1040112191 /nfs/dbraw/zinc/11/21/91/1040112191.db2.gz VFJHKTHJEPGUOH-UHFFFAOYSA-N -1 1 350.356 2.733 20 5 FFBDMM Cc1cc(F)c(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(F)c1 ZINC001309889267 1043573662 /nfs/dbraw/zinc/57/36/62/1043573662.db2.gz MHTRBRGJPAJMPV-UHFFFAOYSA-N -1 1 356.350 2.968 20 5 FFBDMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001293659886 1049599716 /nfs/dbraw/zinc/59/97/16/1049599716.db2.gz JUPXCLDXMAMWRF-KRWDZBQOSA-N -1 1 372.406 2.856 20 5 FFBDMM COc1cc(OCC(=O)Nc2ccc([O-])c(F)c2F)ccc1[N+](=O)[O-] ZINC001297819716 1050296541 /nfs/dbraw/zinc/29/65/41/1050296541.db2.gz CCLRXRHVOIKCKY-UHFFFAOYSA-N -1 1 354.265 2.605 20 5 FFBDMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001343904971 1052480402 /nfs/dbraw/zinc/48/04/02/1052480402.db2.gz NAEJVSAVHHXNCY-UHFFFAOYSA-N -1 1 372.406 2.916 20 5 FFBDMM CCc1ccc(-c2nc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n[n-]2)cc1 ZINC001343904971 1052480406 /nfs/dbraw/zinc/48/04/06/1052480406.db2.gz NAEJVSAVHHXNCY-UHFFFAOYSA-N -1 1 372.406 2.916 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCCS1 ZINC001475541778 1061133234 /nfs/dbraw/zinc/13/32/34/1061133234.db2.gz RMHHAAODCMFNBC-MRVPVSSYSA-N -1 1 368.839 2.951 20 5 FFBDMM O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001476938103 1061516425 /nfs/dbraw/zinc/51/64/25/1061516425.db2.gz NISOLERXQVEUGS-UHFFFAOYSA-N -1 1 367.365 2.850 20 5 FFBDMM CC(C)Oc1cccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC001464499986 1062648384 /nfs/dbraw/zinc/64/83/84/1062648384.db2.gz DHVMLCYSQQRNSC-LBPRGKRZSA-N -1 1 365.411 2.817 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCC(C)(C)CO2)cc1F ZINC001464688461 1062762488 /nfs/dbraw/zinc/76/24/88/1062762488.db2.gz PUUMBUJXCSKYLK-GFCCVEGCSA-N -1 1 374.434 2.916 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001582804499 1079110495 /nfs/dbraw/zinc/11/04/95/1079110495.db2.gz VJNRQMCRDAIADS-UHFFFAOYSA-N -1 1 366.131 2.709 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001582804499 1079110500 /nfs/dbraw/zinc/11/05/00/1079110500.db2.gz VJNRQMCRDAIADS-UHFFFAOYSA-N -1 1 366.131 2.709 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)cc1F ZINC001561518198 1076387895 /nfs/dbraw/zinc/38/78/95/1076387895.db2.gz WYRDJUDTHSKHCW-CYBMUJFWSA-N -1 1 374.434 2.509 20 5 FFBDMM CC(C)CCOC1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001589607313 1080631839 /nfs/dbraw/zinc/63/18/39/1080631839.db2.gz RQZGPFRUANSCNO-UHFFFAOYSA-N -1 1 360.418 2.806 20 5 FFBDMM CC(C)CCOC1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001589607313 1080631845 /nfs/dbraw/zinc/63/18/45/1080631845.db2.gz RQZGPFRUANSCNO-UHFFFAOYSA-N -1 1 360.418 2.806 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000288906994 257236913 /nfs/dbraw/zinc/23/69/13/257236913.db2.gz KCWNHBXADYDVFK-LBPRGKRZSA-N -1 1 358.807 2.647 20 5 FFBDMM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000296385262 257701537 /nfs/dbraw/zinc/70/15/37/257701537.db2.gz YKZKARSAPLGCBH-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000055632776 506807374 /nfs/dbraw/zinc/80/73/74/506807374.db2.gz XFINXAIIBNXIFD-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000063446457 507730194 /nfs/dbraw/zinc/73/01/94/507730194.db2.gz YTRUFNAZXOIWDX-UHFFFAOYSA-N -1 1 363.395 2.835 20 5 FFBDMM Cc1c(C(=O)Nc2c([O-])cccc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000092550375 508081404 /nfs/dbraw/zinc/08/14/04/508081404.db2.gz UKYKBLRIBBBEEJ-UHFFFAOYSA-N -1 1 357.301 2.581 20 5 FFBDMM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000075639928 508125068 /nfs/dbraw/zinc/12/50/68/508125068.db2.gz RHRSIOPKUAAXTF-MRVPVSSYSA-N -1 1 351.222 2.680 20 5 FFBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000127971561 508529476 /nfs/dbraw/zinc/52/94/76/508529476.db2.gz SWHBUARMYQYOCZ-UHFFFAOYSA-N -1 1 358.261 2.594 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000119516164 508811625 /nfs/dbraw/zinc/81/16/25/508811625.db2.gz DCKDKXOJUGFMEU-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000131304918 508913018 /nfs/dbraw/zinc/91/30/18/508913018.db2.gz JMNAKPQAYRRAQQ-AWEZNQCLSA-N -1 1 368.411 2.557 20 5 FFBDMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000156027872 509112578 /nfs/dbraw/zinc/11/25/78/509112578.db2.gz WYFXWDLTSCUWTA-UHFFFAOYSA-N -1 1 373.818 2.840 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000126787794 509128486 /nfs/dbraw/zinc/12/84/86/509128486.db2.gz OQKWXZSSOAIADG-UHFFFAOYSA-N -1 1 368.415 2.716 20 5 FFBDMM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000121146526 509138243 /nfs/dbraw/zinc/13/82/43/509138243.db2.gz UYKXMWACFQUQFM-LLVKDONJSA-N -1 1 367.365 2.681 20 5 FFBDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191888881 509232477 /nfs/dbraw/zinc/23/24/77/509232477.db2.gz ZREBYYAANAASKL-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM Cc1ccccc1[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000185741476 509333461 /nfs/dbraw/zinc/33/34/61/509333461.db2.gz BIKRVNYTOOFPKR-MLGOLLRUSA-N -1 1 357.366 2.606 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)s1 ZINC000179982875 509699886 /nfs/dbraw/zinc/69/98/86/509699886.db2.gz LFOMBNGQOODREW-LLVKDONJSA-N -1 1 372.399 2.988 20 5 FFBDMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173713492 509735673 /nfs/dbraw/zinc/73/56/73/509735673.db2.gz KRVVQYDFDLOCQN-NSHDSACASA-N -1 1 356.425 2.711 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCSCC1 ZINC000264980783 509807673 /nfs/dbraw/zinc/80/76/73/509807673.db2.gz UKYSGDWENNYTDB-UHFFFAOYSA-N -1 1 350.849 2.670 20 5 FFBDMM COc1cccc(C2(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCCC2)c1 ZINC000193566274 509966668 /nfs/dbraw/zinc/96/66/68/509966668.db2.gz QJERLPSMMVTMCY-UHFFFAOYSA-N -1 1 371.393 2.946 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000265699961 510184026 /nfs/dbraw/zinc/18/40/26/510184026.db2.gz CZTKUIQNNLPMQX-OAHLLOKOSA-N -1 1 364.379 2.563 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1 ZINC000269040561 510206733 /nfs/dbraw/zinc/20/67/33/510206733.db2.gz YHXYYEHUJCRXIA-UHFFFAOYSA-N -1 1 362.289 2.812 20 5 FFBDMM Cc1sc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181086689 510271636 /nfs/dbraw/zinc/27/16/36/510271636.db2.gz RRTAMRIRZOVMGS-UHFFFAOYSA-N -1 1 373.387 2.728 20 5 FFBDMM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000265893872 510286456 /nfs/dbraw/zinc/28/64/56/510286456.db2.gz RIIUDLUTZLZXRX-UHFFFAOYSA-N -1 1 366.399 2.717 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000178191055 510481403 /nfs/dbraw/zinc/48/14/03/510481403.db2.gz UQJPSMAEBIVGRL-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000270702511 510956807 /nfs/dbraw/zinc/95/68/07/510956807.db2.gz IVWBONNVJCHZQW-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000272039244 511408979 /nfs/dbraw/zinc/40/89/79/511408979.db2.gz KXLSKMOXMKCUNZ-RYUDHWBXSA-N -1 1 360.407 2.606 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1Cl ZINC000295830358 511528553 /nfs/dbraw/zinc/52/85/53/511528553.db2.gz CJCBOTRYJQYSCM-ZETCQYMHSA-N -1 1 371.267 2.933 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000326219125 511855472 /nfs/dbraw/zinc/85/54/72/511855472.db2.gz ZNXSRPSJFUXVMO-UHFFFAOYSA-N -1 1 370.770 2.836 20 5 FFBDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000326245143 511856120 /nfs/dbraw/zinc/85/61/20/511856120.db2.gz MQCSUPHEHAVTMU-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1cccc(Cl)c1 ZINC000440275528 513286415 /nfs/dbraw/zinc/28/64/15/513286415.db2.gz WUECQFBHOSPAAT-SECBINFHSA-N -1 1 351.746 2.546 20 5 FFBDMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440670216 513377704 /nfs/dbraw/zinc/37/77/04/513377704.db2.gz XVAPZETYSQHZOW-WMLDXEAASA-N -1 1 371.393 2.902 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)s1 ZINC000434963105 513477726 /nfs/dbraw/zinc/47/77/26/513477726.db2.gz JUDGAGZFDJTVDV-UHFFFAOYSA-N -1 1 350.381 2.847 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000434967776 513478794 /nfs/dbraw/zinc/47/87/94/513478794.db2.gz ILCKDLRYLOYSCW-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC000442238520 513688981 /nfs/dbraw/zinc/68/89/81/513688981.db2.gz CNEQUUVNJMMOJG-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000436161263 513779157 /nfs/dbraw/zinc/77/91/57/513779157.db2.gz KFNMCXDZNGHMMY-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675338 513938473 /nfs/dbraw/zinc/93/84/73/513938473.db2.gz UOGZXOCNBFSRLE-HNNXBMFYSA-N -1 1 355.394 2.695 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c([N+](=O)[O-])c1 ZINC000431621326 513947200 /nfs/dbraw/zinc/94/72/00/513947200.db2.gz MFZLQZJPJUPICF-AWEZNQCLSA-N -1 1 372.349 2.888 20 5 FFBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1[N+](=O)[O-] ZINC000436916937 514032603 /nfs/dbraw/zinc/03/26/03/514032603.db2.gz WGNGWRNHUFRGBB-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000432676134 514259760 /nfs/dbraw/zinc/25/97/60/514259760.db2.gz NEWWOOLYLSTEHX-SECBINFHSA-N -1 1 364.383 2.532 20 5 FFBDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000432676134 514259770 /nfs/dbraw/zinc/25/97/70/514259770.db2.gz NEWWOOLYLSTEHX-SECBINFHSA-N -1 1 364.383 2.532 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC000485204607 514955567 /nfs/dbraw/zinc/95/55/67/514955567.db2.gz AARJXYHSSNVJCV-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000462294253 514979122 /nfs/dbraw/zinc/97/91/22/514979122.db2.gz FCUGRMWFBCGPGE-DOMZBBRYSA-N -1 1 368.436 2.673 20 5 FFBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nc[nH]c1C(=O)c1ccccc1 ZINC000485410755 515030391 /nfs/dbraw/zinc/03/03/91/515030391.db2.gz KFADANUNUALHGP-UHFFFAOYSA-N -1 1 352.306 2.507 20 5 FFBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1[nH]cnc1C(=O)c1ccccc1 ZINC000485410755 515030399 /nfs/dbraw/zinc/03/03/99/515030399.db2.gz KFADANUNUALHGP-UHFFFAOYSA-N -1 1 352.306 2.507 20 5 FFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000462707725 515201814 /nfs/dbraw/zinc/20/18/14/515201814.db2.gz QPNOQTGJPLIBJJ-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000509575121 515239307 /nfs/dbraw/zinc/23/93/07/515239307.db2.gz ZEBNIUBLPYOHAB-UHFFFAOYSA-N -1 1 356.400 2.934 20 5 FFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1csc(=NC2CC2)[n-]1 ZINC000478277630 515762911 /nfs/dbraw/zinc/76/29/11/515762911.db2.gz IMJWKKFSDJXTDE-UHFFFAOYSA-N -1 1 360.439 2.800 20 5 FFBDMM CS(=O)(=O)[N-]c1ccc(Oc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC000487725168 515955582 /nfs/dbraw/zinc/95/55/82/515955582.db2.gz VTEZCYPRIBXDIA-UHFFFAOYSA-N -1 1 360.351 2.702 20 5 FFBDMM CC[C@H](C)n1nc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)cc1C ZINC000483222330 515992246 /nfs/dbraw/zinc/99/22/46/515992246.db2.gz IJDIGAHSIAMMCK-JTQLQIEISA-N -1 1 369.385 2.530 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000543685256 516365422 /nfs/dbraw/zinc/36/54/22/516365422.db2.gz ZDBQTDBIEJVWLR-LLVKDONJSA-N -1 1 370.349 2.859 20 5 FFBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc1SC ZINC000544106850 516587530 /nfs/dbraw/zinc/58/75/30/516587530.db2.gz FJBKUKWOJUOZJE-UHFFFAOYSA-N -1 1 365.415 2.924 20 5 FFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CO2 ZINC000531911888 516708017 /nfs/dbraw/zinc/70/80/17/516708017.db2.gz FHZZOMZXNRLCTR-GFCCVEGCSA-N -1 1 368.798 2.969 20 5 FFBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000526080131 517333929 /nfs/dbraw/zinc/33/39/29/517333929.db2.gz ZUZNGLDHCGLSMA-UHFFFAOYSA-N -1 1 367.365 2.886 20 5 FFBDMM CCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCCCC1 ZINC000533635159 517556808 /nfs/dbraw/zinc/55/68/08/517556808.db2.gz MWVMPQIMFPJUAQ-CYBMUJFWSA-N -1 1 358.464 2.839 20 5 FFBDMM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547334664 518084785 /nfs/dbraw/zinc/08/47/85/518084785.db2.gz QDZXMPCXNYXWNH-UHFFFAOYSA-N -1 1 361.379 2.565 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000569918858 518354096 /nfs/dbraw/zinc/35/40/96/518354096.db2.gz WGYUZDPOBHGEBP-GJZGRUSLSA-N -1 1 361.423 2.852 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1 ZINC000575946273 518355147 /nfs/dbraw/zinc/35/51/47/518355147.db2.gz RBRDMXDXUHNRNT-UHFFFAOYSA-N -1 1 356.425 2.792 20 5 FFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000569987502 518390146 /nfs/dbraw/zinc/39/01/46/518390146.db2.gz PHBRAPYYLKNFEB-NSHDSACASA-N -1 1 356.322 2.613 20 5 FFBDMM Cc1ccc([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000570725169 518750381 /nfs/dbraw/zinc/75/03/81/518750381.db2.gz OWYSDRBWROBVSV-CQSZACIVSA-N -1 1 360.370 2.838 20 5 FFBDMM O=C([O-])c1ccccc1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000568060303 518854942 /nfs/dbraw/zinc/85/49/42/518854942.db2.gz AKZJZKNGORMDKF-UHFFFAOYSA-N -1 1 355.394 2.658 20 5 FFBDMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583274553 519165295 /nfs/dbraw/zinc/16/52/95/519165295.db2.gz GNPTYFVHSFJXGY-SUNKGSAMSA-N -1 1 360.370 2.718 20 5 FFBDMM Cc1cc(N[C@H]2CCCC[C@H]2N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577733792 519230510 /nfs/dbraw/zinc/23/05/10/519230510.db2.gz CXHIHBSCUVLKDH-JKSUJKDBSA-N -1 1 363.414 2.657 20 5 FFBDMM Cc1cc(NC[C@@H](CC(C)C)N2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571804371 519283464 /nfs/dbraw/zinc/28/34/64/519283464.db2.gz PAHVTLBDEVVYGM-CQSZACIVSA-N -1 1 365.430 2.760 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000566229025 519381444 /nfs/dbraw/zinc/38/14/44/519381444.db2.gz FPCNTNPKUYMONI-SNVBAGLBSA-N -1 1 363.395 2.761 20 5 FFBDMM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000594779834 520153947 /nfs/dbraw/zinc/15/39/47/520153947.db2.gz SSWUIUBHXAMHPL-LBPRGKRZSA-N -1 1 357.338 2.609 20 5 FFBDMM O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609177672 520220587 /nfs/dbraw/zinc/22/05/87/520220587.db2.gz JBRHWYUKKQDZHN-UHFFFAOYSA-N -1 1 362.239 2.849 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000610259528 520608515 /nfs/dbraw/zinc/60/85/15/520608515.db2.gz ODDXMLSJTIDISL-NSHDSACASA-N -1 1 351.409 2.505 20 5 FFBDMM Cc1ccc(-c2cc(=NC(=O)CN(C)c3ccccc3[N+](=O)[O-])[nH][n-]2)s1 ZINC000610337572 520641065 /nfs/dbraw/zinc/64/10/65/520641065.db2.gz MOGBRGZMLJIGAF-UHFFFAOYSA-N -1 1 371.422 2.852 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000610871962 520883666 /nfs/dbraw/zinc/88/36/66/520883666.db2.gz QWPFPBJQMUAZSL-UHFFFAOYSA-N -1 1 356.747 2.529 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000618378011 521041204 /nfs/dbraw/zinc/04/12/04/521041204.db2.gz LIQQYVHBNNAJIT-BQBZGAKWSA-N -1 1 373.209 2.508 20 5 FFBDMM CCC1(O)CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000611314339 521093670 /nfs/dbraw/zinc/09/36/70/521093670.db2.gz RYYUSIHAFAPXGG-UHFFFAOYSA-N -1 1 362.835 2.610 20 5 FFBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000599252680 521111103 /nfs/dbraw/zinc/11/11/03/521111103.db2.gz XGKZXBQCMZRVLI-CQSZACIVSA-N -1 1 366.443 2.702 20 5 FFBDMM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593747778 521189917 /nfs/dbraw/zinc/18/99/17/521189917.db2.gz CEAZYDJHIDZANP-GXSJLCMTSA-N -1 1 374.340 2.747 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000615203178 521313119 /nfs/dbraw/zinc/31/31/19/521313119.db2.gz IIKSKPLCURCANS-UHFFFAOYSA-N -1 1 370.774 2.837 20 5 FFBDMM C[C@H]1CN(CCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000736812180 600942129 /nfs/dbraw/zinc/94/21/29/600942129.db2.gz UGBIDAXIQWMQSC-QWRGUYRKSA-N -1 1 371.821 2.858 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(-c2ccccn2)c1 ZINC000826497490 607678869 /nfs/dbraw/zinc/67/88/69/607678869.db2.gz JBPAJMACMQEBIK-UHFFFAOYSA-N -1 1 374.364 2.844 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(-c2ccccn2)c1 ZINC000826497490 607678870 /nfs/dbraw/zinc/67/88/70/607678870.db2.gz JBPAJMACMQEBIK-UHFFFAOYSA-N -1 1 374.364 2.844 20 5 FFBDMM Cc1nn(CN2CCC[C@H](CN(C)C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830870683 604740443 /nfs/dbraw/zinc/74/04/43/604740443.db2.gz MBCGGSQNPRNAEZ-CYBMUJFWSA-N -1 1 361.402 2.532 20 5 FFBDMM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000833449813 605047601 /nfs/dbraw/zinc/04/76/01/605047601.db2.gz BQYGEVHAMMZWCK-LBPRGKRZSA-N -1 1 360.370 2.561 20 5 FFBDMM C[C@@H]1CCCN1c1cc(N2CCC[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820716520 606417331 /nfs/dbraw/zinc/41/73/31/606417331.db2.gz JBFSVDGRBZLXDX-NWDGAFQWSA-N -1 1 357.418 2.752 20 5 FFBDMM C[C@@H]1CCCN1c1cc(N2CCC[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820716520 606417333 /nfs/dbraw/zinc/41/73/33/606417333.db2.gz JBFSVDGRBZLXDX-NWDGAFQWSA-N -1 1 357.418 2.752 20 5 FFBDMM CN(CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000821600568 606645028 /nfs/dbraw/zinc/64/50/28/606645028.db2.gz SQOYTVJOJJQTPC-UHFFFAOYSA-N -1 1 353.386 2.713 20 5 FFBDMM C[C@@]1(c2ccccc2)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820636602 606710789 /nfs/dbraw/zinc/71/07/89/606710789.db2.gz UYWNFOLBMZPZNV-GOSISDBHSA-N -1 1 365.397 2.728 20 5 FFBDMM C[C@@]1(c2ccccc2)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820636602 606710790 /nfs/dbraw/zinc/71/07/90/606710790.db2.gz UYWNFOLBMZPZNV-GOSISDBHSA-N -1 1 365.397 2.728 20 5 FFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820280614 606712750 /nfs/dbraw/zinc/71/27/50/606712750.db2.gz KQWLVDUYFDSLJW-MRVPVSSYSA-N -1 1 361.312 2.664 20 5 FFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820280614 606712751 /nfs/dbraw/zinc/71/27/51/606712751.db2.gz KQWLVDUYFDSLJW-MRVPVSSYSA-N -1 1 361.312 2.664 20 5 FFBDMM C[C@@H](Cc1ccccc1Cl)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820299441 607168608 /nfs/dbraw/zinc/16/86/08/607168608.db2.gz GNIFZAAZJKHMEE-VIFPVBQESA-N -1 1 359.777 2.866 20 5 FFBDMM C[C@@H](Cc1ccccc1Cl)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820299441 607168610 /nfs/dbraw/zinc/16/86/10/607168610.db2.gz GNIFZAAZJKHMEE-VIFPVBQESA-N -1 1 359.777 2.866 20 5 FFBDMM O=[N+]([O-])c1ccc(CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000826497953 608153856 /nfs/dbraw/zinc/15/38/56/608153856.db2.gz AJYUNHRNBXLPFJ-UHFFFAOYSA-N -1 1 371.788 2.992 20 5 FFBDMM O=[N+]([O-])c1ccc(CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000826497953 608153857 /nfs/dbraw/zinc/15/38/57/608153857.db2.gz AJYUNHRNBXLPFJ-UHFFFAOYSA-N -1 1 371.788 2.992 20 5 FFBDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000743250204 735285269 /nfs/dbraw/zinc/28/52/69/735285269.db2.gz CWQFVRNULUYDDA-UHFFFAOYSA-N -1 1 363.395 2.817 20 5 FFBDMM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000155826713 728837107 /nfs/dbraw/zinc/83/71/07/728837107.db2.gz NHMJZSNVGIPXJX-UHFFFAOYSA-N -1 1 356.350 2.702 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc2O1 ZINC000101571225 728486392 /nfs/dbraw/zinc/48/63/92/728486392.db2.gz UWZQYUJPFMADGT-GFCCVEGCSA-N -1 1 368.798 2.530 20 5 FFBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000119365774 728592933 /nfs/dbraw/zinc/59/29/33/728592933.db2.gz LZJBLRVSNBEWNW-QMMMGPOBSA-N -1 1 360.388 2.844 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000134663447 728731985 /nfs/dbraw/zinc/73/19/85/728731985.db2.gz YXUHJSSXAZREPI-GFCCVEGCSA-N -1 1 372.418 2.894 20 5 FFBDMM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000190375062 729407677 /nfs/dbraw/zinc/40/76/77/729407677.db2.gz FENAWKZJFUNYBW-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000779810498 738486441 /nfs/dbraw/zinc/48/64/41/738486441.db2.gz DTYDZGWJPZLXHQ-UHFFFAOYSA-N -1 1 350.278 2.504 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCCC1CCCCC1 ZINC000780074180 738513931 /nfs/dbraw/zinc/51/39/31/738513931.db2.gz DBFSKSCVBUBDNL-UHFFFAOYSA-N -1 1 350.371 2.544 20 5 FFBDMM O=Cc1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000780991867 738592609 /nfs/dbraw/zinc/59/26/09/738592609.db2.gz IZDQRXRMCJWDNX-UHFFFAOYSA-N -1 1 350.714 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000725823301 734394042 /nfs/dbraw/zinc/39/40/42/734394042.db2.gz MHIABFCSQWTUQO-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742313226 735225436 /nfs/dbraw/zinc/22/54/36/735225436.db2.gz PHDNQCZSLIVQMW-GOEBONIOSA-N -1 1 350.371 2.742 20 5 FFBDMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000742327833 735228191 /nfs/dbraw/zinc/22/81/91/735228191.db2.gz HHXAPFGDXFBGSS-UWVGGRQHSA-N -1 1 350.849 2.811 20 5 FFBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000917731761 737773784 /nfs/dbraw/zinc/77/37/84/737773784.db2.gz NLLNGYYJJMINHX-UHFFFAOYSA-N -1 1 374.733 2.917 20 5 FFBDMM CCOCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809809748 741346252 /nfs/dbraw/zinc/34/62/52/741346252.db2.gz YIPSYXGLKMNXHR-UHFFFAOYSA-N -1 1 371.242 2.997 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCSC2)cc1Cl ZINC000809846268 741353459 /nfs/dbraw/zinc/35/34/59/741353459.db2.gz FLOQBGOHKDMONF-QMMMGPOBSA-N -1 1 368.839 2.809 20 5 FFBDMM COCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC000810111381 741387775 /nfs/dbraw/zinc/38/77/75/741387775.db2.gz KQQFYJIICLTVGU-UHFFFAOYSA-N -1 1 360.407 2.609 20 5 FFBDMM O=C(CSc1ncnc2ccsc21)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000811614792 741543087 /nfs/dbraw/zinc/54/30/87/741543087.db2.gz REHOVTHKFAELGM-UHFFFAOYSA-N -1 1 374.403 2.648 20 5 FFBDMM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986322 741879653 /nfs/dbraw/zinc/87/96/53/741879653.db2.gz MXUSNPAHXIPZBV-MRVPVSSYSA-N -1 1 362.766 2.890 20 5 FFBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828381191 745061139 /nfs/dbraw/zinc/06/11/39/745061139.db2.gz LYJHZBIWQMLGPY-HZGVNTEJSA-N -1 1 354.812 2.560 20 5 FFBDMM CC(C)(C)OCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830298163 745335498 /nfs/dbraw/zinc/33/54/98/745335498.db2.gz VULAOUHQBWJADB-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830707820 745412838 /nfs/dbraw/zinc/41/28/38/745412838.db2.gz JXCTUTMFMCFTNP-SECBINFHSA-N -1 1 371.242 2.587 20 5 FFBDMM CO[C@](C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000832160664 745648339 /nfs/dbraw/zinc/64/83/39/745648339.db2.gz OIWOTZMNNCENOW-MRXNPFEDSA-N -1 1 368.386 2.574 20 5 FFBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc([N+](=O)[O-])ccc1F ZINC000839392176 746821284 /nfs/dbraw/zinc/82/12/84/746821284.db2.gz CCRIPHFOKSTERG-UHFFFAOYSA-N -1 1 352.347 2.732 20 5 FFBDMM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841533200 747387942 /nfs/dbraw/zinc/38/79/42/747387942.db2.gz HSJSRJZGJZZLDX-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000841535927 747388831 /nfs/dbraw/zinc/38/88/31/747388831.db2.gz XAEUZXLMFOXRKX-YUMQZZPRSA-N -1 1 369.226 2.747 20 5 FFBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000849461307 749165444 /nfs/dbraw/zinc/16/54/44/749165444.db2.gz WSKCZQTZBFKJPC-DTWKUNHWSA-N -1 1 366.798 2.623 20 5 FFBDMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001589604781 949231062 /nfs/dbraw/zinc/23/10/62/949231062.db2.gz HDJNHBPNUGDSPK-INIZCTEOSA-N -1 1 369.805 2.764 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001591791080 975980463 /nfs/dbraw/zinc/98/04/63/975980463.db2.gz IBLVJVLSHRPPSX-ZDUSSCGKSA-N -1 1 354.428 2.632 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)cc1F ZINC001212483249 987645750 /nfs/dbraw/zinc/64/57/50/987645750.db2.gz RVCDWESTYRRMBX-NSHDSACASA-N -1 1 353.375 2.519 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000193562164 988605032 /nfs/dbraw/zinc/60/50/32/988605032.db2.gz XYGDPCFQTUAADE-UHFFFAOYSA-N -1 1 366.377 2.882 20 5 FFBDMM CN(C)c1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ncn1 ZINC001128534019 989212753 /nfs/dbraw/zinc/21/27/53/989212753.db2.gz BNXYDIZAZHRKFR-UHFFFAOYSA-N -1 1 372.204 2.527 20 5 FFBDMM COC[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001599176588 996856953 /nfs/dbraw/zinc/85/69/53/996856953.db2.gz MYOKGHYWJJYZTH-HNNXBMFYSA-N -1 1 360.366 2.536 20 5 FFBDMM C[C@H](O[N-]C(=O)CCCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772897693 997674611 /nfs/dbraw/zinc/67/46/11/997674611.db2.gz QJNJBMVSPKLLHP-AWEZNQCLSA-N -1 1 371.393 2.993 20 5 FFBDMM COc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000744493569 999859987 /nfs/dbraw/zinc/85/99/87/999859987.db2.gz MPIWOZKYJFCVJE-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM O=C([O-])[C@]12C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]1COCC2 ZINC000846287705 1000254098 /nfs/dbraw/zinc/25/40/98/1000254098.db2.gz SHXSLQOXQCNXFZ-XHDPSFHLSA-N -1 1 374.315 2.537 20 5 FFBDMM COc1cccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1[N+](=O)[O-] ZINC000769603658 1000558321 /nfs/dbraw/zinc/55/83/21/1000558321.db2.gz NXOMNEGNOZHOTM-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OCC(F)F)c1 ZINC001147961989 1001016099 /nfs/dbraw/zinc/01/60/99/1001016099.db2.gz KVBDLHJQPDORSS-UHFFFAOYSA-N -1 1 369.280 2.606 20 5 FFBDMM Nc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1[N+](=O)[O-] ZINC000792484291 1003016188 /nfs/dbraw/zinc/01/61/88/1003016188.db2.gz BPHLGWOQRVWRKS-UHFFFAOYSA-N -1 1 364.321 2.961 20 5 FFBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc(C)n1 ZINC001191512360 1003860758 /nfs/dbraw/zinc/86/07/58/1003860758.db2.gz HHYROFQLHHIGBR-UHFFFAOYSA-N -1 1 353.375 2.533 20 5 FFBDMM CC1(C)C[C@]1(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001192874283 1004297460 /nfs/dbraw/zinc/29/74/60/1004297460.db2.gz FXJJKGHXTFSOIE-KRWDZBQOSA-N -1 1 361.423 2.636 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C(F)F)on1 ZINC001194916225 1004842967 /nfs/dbraw/zinc/84/29/67/1004842967.db2.gz FMGNIKULXXNOFP-UHFFFAOYSA-N -1 1 367.717 2.652 20 5 FFBDMM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001189663438 1007219973 /nfs/dbraw/zinc/21/99/73/1007219973.db2.gz MPYZSZOLJZDNRS-NSHDSACASA-N -1 1 364.851 2.714 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1F ZINC001190429440 1007637688 /nfs/dbraw/zinc/63/76/88/1007637688.db2.gz PLVJIPKNRFUFTJ-VIFPVBQESA-N -1 1 352.334 2.756 20 5 FFBDMM COC(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)[n-]1 ZINC000796368555 1012414689 /nfs/dbraw/zinc/41/46/89/1012414689.db2.gz DXQWSAUIRSLXGG-UHFFFAOYSA-N -1 1 362.338 2.854 20 5 FFBDMM CCN(C(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780073508 1019501450 /nfs/dbraw/zinc/50/14/50/1019501450.db2.gz AFDKPPKYDYVXIV-GFCCVEGCSA-N -1 1 358.350 2.899 20 5 FFBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000780074846 1019514965 /nfs/dbraw/zinc/51/49/65/1019514965.db2.gz IFZYTQAMSBAAGX-INIZCTEOSA-N -1 1 364.398 2.931 20 5 FFBDMM Cc1ccccc1Cc1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000780077181 1019664436 /nfs/dbraw/zinc/66/44/36/1019664436.db2.gz VDPKRBZPYPVRBF-UHFFFAOYSA-N -1 1 369.333 2.940 20 5 FFBDMM O=C([N-]c1nc2ccccc2c(=O)[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777980061 1020385291 /nfs/dbraw/zinc/38/52/91/1020385291.db2.gz CFNGICSDHFOMSH-UHFFFAOYSA-N -1 1 360.276 2.974 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4C[NH2+]CCC[C@H]4F)cc3c([O-])c1-2 ZINC001217978311 1032928801 /nfs/dbraw/zinc/92/88/01/1032928801.db2.gz PSLZIIVMHCXYDB-DIFFPNOSSA-N -1 1 359.353 2.826 20 5 FFBDMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001116299979 1021158662 /nfs/dbraw/zinc/15/86/62/1021158662.db2.gz FLEVHRCFVXBZSB-HNNXBMFYSA-N -1 1 368.349 2.725 20 5 FFBDMM Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001153473600 1027899451 /nfs/dbraw/zinc/89/94/51/1027899451.db2.gz OWMCDJCHVSVGAV-UHFFFAOYSA-N -1 1 352.144 2.897 20 5 FFBDMM COC(=O)c1cnc([N-][C@@H](c2cccnc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001156156405 1029068439 /nfs/dbraw/zinc/06/84/39/1029068439.db2.gz RTDVNGURNXOADN-NSHDSACASA-N -1 1 356.260 2.887 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661102 1034355049 /nfs/dbraw/zinc/35/50/49/1034355049.db2.gz JCNBIXUNCSLADC-JQWIXIFHSA-N -1 1 371.365 2.812 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001225664480 1034357813 /nfs/dbraw/zinc/35/78/13/1034357813.db2.gz OXPZSTKUSPRIIJ-LOWVWBTDSA-N -1 1 365.386 2.720 20 5 FFBDMM O=C(c1ccc(F)cc1)N1CCC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225665395 1034359574 /nfs/dbraw/zinc/35/95/74/1034359574.db2.gz YUPUYWJQOOZOPC-UHFFFAOYSA-N -1 1 361.329 2.518 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](c1cccnc1)C1CC1 ZINC001226310968 1034625620 /nfs/dbraw/zinc/62/56/20/1034625620.db2.gz SURZFPPUMNYZJJ-CQSZACIVSA-N -1 1 359.338 2.797 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC12CCC2 ZINC000721261816 1035682478 /nfs/dbraw/zinc/68/24/78/1035682478.db2.gz JCISCDDGADCTNI-NSHDSACASA-N -1 1 361.217 2.578 20 5 FFBDMM CSc1nc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc(=O)[n-]1 ZINC001228090547 1035925461 /nfs/dbraw/zinc/92/54/61/1035925461.db2.gz LWDMMAJSHFUEMR-ZETCQYMHSA-N -1 1 351.340 2.681 20 5 FFBDMM CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCOc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141473 1035958221 /nfs/dbraw/zinc/95/82/21/1035958221.db2.gz QTSVEOPQBAFGDG-NEPJUHHUSA-N -1 1 368.390 2.649 20 5 FFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CN(Cc2ccccc2)C1 ZINC001228862552 1036369978 /nfs/dbraw/zinc/36/99/78/1036369978.db2.gz OHGCGHPIWYKQEH-UHFFFAOYSA-N -1 1 369.299 2.977 20 5 FFBDMM C=CC(=O)OC[C@H](C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229802233 1036908893 /nfs/dbraw/zinc/90/88/93/1036908893.db2.gz IZPGQTLFOZDOQB-JTQLQIEISA-N -1 1 356.330 2.854 20 5 FFBDMM C[C@@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ncccn1 ZINC001234752721 1037169000 /nfs/dbraw/zinc/16/90/00/1037169000.db2.gz IUGGWGVQNTZTCF-SECBINFHSA-N -1 1 366.329 2.993 20 5 FFBDMM CCOC(=O)C1CC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234875362 1037216732 /nfs/dbraw/zinc/21/67/32/1037216732.db2.gz HAAXNXTWTSZSOG-UHFFFAOYSA-N -1 1 360.160 2.783 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)n1 ZINC001231260922 1037515801 /nfs/dbraw/zinc/51/58/01/1037515801.db2.gz XCHGQYMVBUPAMY-PWSUYJOCSA-N -1 1 371.365 2.730 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001231264831 1037516181 /nfs/dbraw/zinc/51/61/81/1037516181.db2.gz VHMJBRQXBOMXNC-LLVKDONJSA-N -1 1 351.359 2.558 20 5 FFBDMM Cc1cc(N2CCOCC2)cc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc21 ZINC001250880527 1038774984 /nfs/dbraw/zinc/77/49/84/1038774984.db2.gz LLCGEVDGXYFSBO-UHFFFAOYSA-N -1 1 354.366 2.989 20 5 FFBDMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001210371432 1039507507 /nfs/dbraw/zinc/50/75/07/1039507507.db2.gz LEPCPGANABZYKI-UHFFFAOYSA-N -1 1 362.423 2.509 20 5 FFBDMM O=C(NCc1cnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001319295371 1045100815 /nfs/dbraw/zinc/10/08/15/1045100815.db2.gz FNHYYSQDPDPMMS-UHFFFAOYSA-N -1 1 356.363 2.749 20 5 FFBDMM CCCCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC001309276430 1052590058 /nfs/dbraw/zinc/59/00/58/1052590058.db2.gz ZMRQKMJHWRSLEE-KGLIPLIRSA-N -1 1 374.434 2.996 20 5 FFBDMM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001475437982 1061089861 /nfs/dbraw/zinc/08/98/61/1061089861.db2.gz TXTZTSHWSNQUBI-SNVBAGLBSA-N -1 1 355.803 2.553 20 5 FFBDMM CC(C)(C)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nc2ncnn21 ZINC001530515708 1062584060 /nfs/dbraw/zinc/58/40/60/1062584060.db2.gz XSSZPZPETGOOHN-UHFFFAOYSA-N -1 1 358.333 2.721 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC001436227177 1062673745 /nfs/dbraw/zinc/67/37/45/1062673745.db2.gz NCOVXWCXRFEKLC-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC001464771924 1062811339 /nfs/dbraw/zinc/81/13/39/1062811339.db2.gz BECFHBBQFNXTKE-JTQLQIEISA-N -1 1 370.456 2.692 20 5 FFBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CCC2)cc1 ZINC001472206624 1064972285 /nfs/dbraw/zinc/97/22/85/1064972285.db2.gz GJFSAWFNPADIOR-MRXNPFEDSA-N -1 1 357.366 2.975 20 5 FFBDMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC001561993972 1076462331 /nfs/dbraw/zinc/46/23/31/1076462331.db2.gz BWLXTZNKVAYIAL-LLVKDONJSA-N -1 1 362.835 2.874 20 5 FFBDMM O=C(NCc1cn(C(F)F)c2ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001586878528 1079699159 /nfs/dbraw/zinc/69/91/59/1079699159.db2.gz QTTCKFOGTXYJQO-UHFFFAOYSA-N -1 1 362.292 2.975 20 5 FFBDMM CC(C)c1ccc2c(c1)CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])CC2 ZINC001589771049 1080724228 /nfs/dbraw/zinc/72/42/28/1080724228.db2.gz UBYJCXNETWSKFK-UHFFFAOYSA-N -1 1 365.397 2.856 20 5 FFBDMM CC(C)c1ccc2c(c1)CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])CC2 ZINC001589771049 1080724236 /nfs/dbraw/zinc/72/42/36/1080724236.db2.gz UBYJCXNETWSKFK-UHFFFAOYSA-N -1 1 365.397 2.856 20 5 FFBDMM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCO1 ZINC001590154458 1081055388 /nfs/dbraw/zinc/05/53/88/1081055388.db2.gz YUDUHZBNXMLOQN-SFHVURJKSA-N -1 1 366.381 2.527 20 5 FFBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000444218371 514156907 /nfs/dbraw/zinc/15/69/07/514156907.db2.gz FXGNVMGLMYLGFS-WPRPVWTQSA-N -1 1 363.233 2.824 20 5 FFBDMM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290343251 257326985 /nfs/dbraw/zinc/32/69/85/257326985.db2.gz BTABYPLYVIZYMF-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM CC(=O)c1cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000290648329 257349181 /nfs/dbraw/zinc/34/91/81/257349181.db2.gz INJWYBUOLODYGO-LLVKDONJSA-N -1 1 373.331 2.692 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000008962480 506675964 /nfs/dbraw/zinc/67/59/64/506675964.db2.gz NOJUTAJMGGFRMQ-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)s1 ZINC000064244964 507787508 /nfs/dbraw/zinc/78/75/08/507787508.db2.gz SXXCWHHPCJKJPJ-UHFFFAOYSA-N -1 1 374.415 2.933 20 5 FFBDMM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072993781 507882276 /nfs/dbraw/zinc/88/22/76/507882276.db2.gz LMVLLBFRXKGJFM-QMMMGPOBSA-N -1 1 359.791 2.893 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000093928961 508161399 /nfs/dbraw/zinc/16/13/99/508161399.db2.gz IHVQFVMBLROURK-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM Cc1cnccc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000112496577 508190276 /nfs/dbraw/zinc/19/02/76/508190276.db2.gz QHDMNTWJMONKCI-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N2CCCC2)o1 ZINC000101678669 508254103 /nfs/dbraw/zinc/25/41/03/508254103.db2.gz OZNSFGLKGNSYCQ-HNNXBMFYSA-N -1 1 359.382 2.769 20 5 FFBDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000127848823 508509790 /nfs/dbraw/zinc/50/97/90/508509790.db2.gz BTQZUXXFGARJRP-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122719384 508577495 /nfs/dbraw/zinc/57/74/95/508577495.db2.gz IWCXBKWGNCXARN-FZMZJTMJSA-N -1 1 368.386 2.524 20 5 FFBDMM CC[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000160004214 508924542 /nfs/dbraw/zinc/92/45/42/508924542.db2.gz AIEVIECLCAKABC-QGZVFWFLSA-N -1 1 369.421 2.867 20 5 FFBDMM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000175889750 509200833 /nfs/dbraw/zinc/20/08/33/509200833.db2.gz BFLXKEAYUIIBLS-UHFFFAOYSA-N -1 1 359.404 2.712 20 5 FFBDMM O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185792425 509358195 /nfs/dbraw/zinc/35/81/95/509358195.db2.gz SUOPAKSQDAKPFX-UHFFFAOYSA-N -1 1 371.393 2.509 20 5 FFBDMM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185912555 509423391 /nfs/dbraw/zinc/42/33/91/509423391.db2.gz GLGXBYJECVFODW-GFCCVEGCSA-N -1 1 363.757 2.993 20 5 FFBDMM CC(C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000264662771 509631394 /nfs/dbraw/zinc/63/13/94/509631394.db2.gz MHSVTPXIKXHNQY-UHFFFAOYSA-N -1 1 365.411 2.578 20 5 FFBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000176897564 509752102 /nfs/dbraw/zinc/75/21/02/509752102.db2.gz CNQVRISAAYSXRO-ZJUUUORDSA-N -1 1 350.487 2.999 20 5 FFBDMM O=C(NCc1cc(F)ccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186985958 509988570 /nfs/dbraw/zinc/98/85/70/509988570.db2.gz ZGTOOUIFLFDGLV-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000180599048 510005965 /nfs/dbraw/zinc/00/59/65/510005965.db2.gz QUFWEMUIGMZIHA-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193830807 510090081 /nfs/dbraw/zinc/09/00/81/510090081.db2.gz WWZXCHWURAQNGR-GFCCVEGCSA-N -1 1 363.757 2.993 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000265699959 510184065 /nfs/dbraw/zinc/18/40/65/510184065.db2.gz CZTKUIQNNLPMQX-HNNXBMFYSA-N -1 1 364.379 2.563 20 5 FFBDMM Cc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000181081275 510270227 /nfs/dbraw/zinc/27/02/27/510270227.db2.gz DNRCDDNYMXPWJL-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000194440682 510366190 /nfs/dbraw/zinc/36/61/90/510366190.db2.gz WCHPNVUFHFUDSM-NSHDSACASA-N -1 1 368.798 2.530 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000330462968 510984191 /nfs/dbraw/zinc/98/41/91/510984191.db2.gz YYUJNUAPFLFICI-NWDGAFQWSA-N -1 1 358.464 2.694 20 5 FFBDMM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C(F)(F)F)c1 ZINC000303122801 511727188 /nfs/dbraw/zinc/72/71/88/511727188.db2.gz IVRABUMEFAUROQ-UHFFFAOYSA-N -1 1 371.271 2.653 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000323859720 511831551 /nfs/dbraw/zinc/83/15/51/511831551.db2.gz OMBSDMSEIMRUDD-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000297232354 512070398 /nfs/dbraw/zinc/07/03/98/512070398.db2.gz OQLNLRWRILXDEA-GFCCVEGCSA-N -1 1 359.382 2.797 20 5 FFBDMM CCCn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C1CC1 ZINC000451095317 513515924 /nfs/dbraw/zinc/51/59/24/513515924.db2.gz SLKPBVNFFOARBR-UHFFFAOYSA-N -1 1 366.399 2.585 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000436504169 513877032 /nfs/dbraw/zinc/87/70/32/513877032.db2.gz KELYGMHFFUAZGX-UHFFFAOYSA-N -1 1 355.306 2.821 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000436684158 513944903 /nfs/dbraw/zinc/94/49/03/513944903.db2.gz YBXPPTOAHDDTMU-UHFFFAOYSA-N -1 1 374.349 2.803 20 5 FFBDMM CCc1ccc([C@@H]2CNCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436733196 513961619 /nfs/dbraw/zinc/96/16/19/513961619.db2.gz WRPQFILGDNTWQW-KRWDZBQOSA-N -1 1 355.394 2.650 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000451800706 513989232 /nfs/dbraw/zinc/98/92/32/513989232.db2.gz JQDBIVVYPNXPCV-LLVKDONJSA-N -1 1 374.846 2.876 20 5 FFBDMM CCCc1ncc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000451958332 514095217 /nfs/dbraw/zinc/09/52/17/514095217.db2.gz LOBZYZVPBHAUHM-UHFFFAOYSA-N -1 1 353.400 2.631 20 5 FFBDMM CC[C@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000445728283 514511704 /nfs/dbraw/zinc/51/17/04/514511704.db2.gz WVKVKQWDFYYPOO-LBPRGKRZSA-N -1 1 355.354 2.783 20 5 FFBDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc12 ZINC000461338730 514573435 /nfs/dbraw/zinc/57/34/35/514573435.db2.gz HNRUFFMNROQIQN-UHFFFAOYSA-N -1 1 360.395 2.899 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cnc3ccccc3c2)cc([N+](=O)[O-])c1 ZINC000509088270 515018677 /nfs/dbraw/zinc/01/86/77/515018677.db2.gz AWQVIFJUIODTQL-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000479141244 516076096 /nfs/dbraw/zinc/07/60/96/516076096.db2.gz YRMNXOHSKQGDMY-LBPRGKRZSA-N -1 1 352.334 2.913 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000488233370 516168367 /nfs/dbraw/zinc/16/83/67/516168367.db2.gz PYXPPMSCIVRIMC-UHFFFAOYSA-N -1 1 370.358 2.942 20 5 FFBDMM CCC(=O)c1ccc(Oc2ccc([N-]S(C)(=O)=O)nc2)c([N+](=O)[O-])c1 ZINC000550737183 516402583 /nfs/dbraw/zinc/40/25/83/516402583.db2.gz KAMGBENIQFMVTP-UHFFFAOYSA-N -1 1 365.367 2.746 20 5 FFBDMM COc1cccc(-c2nc(C(=O)[N-]c3ccc(OC)c([N+](=O)[O-])c3)no2)c1 ZINC000543928894 516502089 /nfs/dbraw/zinc/50/20/89/516502089.db2.gz FOUFKXYGNYCLJR-UHFFFAOYSA-N -1 1 370.321 2.914 20 5 FFBDMM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000518044383 516531267 /nfs/dbraw/zinc/53/12/67/516531267.db2.gz DUHDCHXOUANBFA-UHFFFAOYSA-N -1 1 364.770 2.889 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000532858271 517170473 /nfs/dbraw/zinc/17/04/73/517170473.db2.gz KQLXMGYRCSZCOM-NWDGAFQWSA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1c(Br)c([N-]c2cc3n(n2)CCCC3)ncc1[N+](=O)[O-] ZINC000553387922 517684590 /nfs/dbraw/zinc/68/45/90/517684590.db2.gz OXWKQKNIXBREHN-UHFFFAOYSA-N -1 1 352.192 2.759 20 5 FFBDMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000579133296 518537767 /nfs/dbraw/zinc/53/77/67/518537767.db2.gz JAMLMYPDROAKOC-LJQANCHMSA-N -1 1 366.377 2.699 20 5 FFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H](C)C(=O)[O-])cc1OC ZINC000565105887 518789699 /nfs/dbraw/zinc/78/96/99/518789699.db2.gz UPKFJVXYMNJUKS-VXGBXAGGSA-N -1 1 354.403 2.933 20 5 FFBDMM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000568545389 519093533 /nfs/dbraw/zinc/09/35/33/519093533.db2.gz LAXLQKSBNLLTKA-UHFFFAOYSA-N -1 1 357.700 2.871 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)cc1[N+](=O)[O-] ZINC000590597760 519281767 /nfs/dbraw/zinc/28/17/67/519281767.db2.gz QADWKLOQVMOZGZ-UHFFFAOYSA-N -1 1 362.363 2.943 20 5 FFBDMM COC(=O)c1nsc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000569430801 519543328 /nfs/dbraw/zinc/54/33/28/519543328.db2.gz YSGCTCPHZXPGHL-UHFFFAOYSA-N -1 1 364.364 2.700 20 5 FFBDMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594799994 520164857 /nfs/dbraw/zinc/16/48/57/520164857.db2.gz ABVUOMDNZWIVHZ-LLVKDONJSA-N -1 1 362.835 2.732 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000600408797 520242384 /nfs/dbraw/zinc/24/23/84/520242384.db2.gz APVBDYSOQGUUAF-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@H]12 ZINC000595245936 520369666 /nfs/dbraw/zinc/36/96/66/520369666.db2.gz USPOIONPXDKGLH-JMSVASOKSA-N -1 1 372.381 2.577 20 5 FFBDMM CC(C)(C)OC(=O)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598017382 520377806 /nfs/dbraw/zinc/37/78/06/520377806.db2.gz MWXRTIPRIBAYQV-AWEZNQCLSA-N -1 1 373.365 2.508 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000611106226 520988726 /nfs/dbraw/zinc/98/87/26/520988726.db2.gz QGRJTQNUTOCSNR-YNEHKIRRSA-N -1 1 358.464 2.550 20 5 FFBDMM CCOc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000593749369 521190776 /nfs/dbraw/zinc/19/07/76/521190776.db2.gz UFKUMDXKVNKTRO-AWEZNQCLSA-N -1 1 362.304 2.833 20 5 FFBDMM O=C([O-])CC[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000593752781 521194104 /nfs/dbraw/zinc/19/41/04/521194104.db2.gz OSKAJHKXXLHPCE-GFCCVEGCSA-N -1 1 360.370 2.722 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)C)c([N+](=O)[O-])n1 ZINC000599465396 521240907 /nfs/dbraw/zinc/24/09/07/521240907.db2.gz HHWKPOLPZZEKQO-OAHLLOKOSA-N -1 1 366.443 2.795 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cccc([N+](=O)[O-])c2OC)c1Br ZINC000476197077 561112870 /nfs/dbraw/zinc/11/28/70/561112870.db2.gz ROSTWWLMEQZOEW-UHFFFAOYSA-N -1 1 369.175 2.904 20 5 FFBDMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000740143152 600093560 /nfs/dbraw/zinc/09/35/60/600093560.db2.gz DZASUJOLNQISCB-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM CCC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])CC1 ZINC000262156065 601294483 /nfs/dbraw/zinc/29/44/83/601294483.db2.gz MJLIZRFEOPHYCQ-UHFFFAOYSA-N -1 1 360.370 2.625 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740174886 602653336 /nfs/dbraw/zinc/65/33/36/602653336.db2.gz NKFKOIKMMFKTCA-UHFFFAOYSA-N -1 1 369.330 2.933 20 5 FFBDMM CCN(CC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000827099867 603504830 /nfs/dbraw/zinc/50/48/30/603504830.db2.gz RTBONOUAEFWJTN-UHFFFAOYSA-N -1 1 351.403 2.815 20 5 FFBDMM Cc1cc([C@H](C)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C(=O)[O-] ZINC000832871147 604384283 /nfs/dbraw/zinc/38/42/83/604384283.db2.gz OXZCBPIUNWPQFY-NWDGAFQWSA-N -1 1 360.370 2.837 20 5 FFBDMM CC(C)(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000819976205 606700594 /nfs/dbraw/zinc/70/05/94/606700594.db2.gz QJZOODYKJCUJJH-UHFFFAOYSA-N -1 1 353.386 2.950 20 5 FFBDMM CC(C)(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000819976205 606700596 /nfs/dbraw/zinc/70/05/96/606700596.db2.gz QJZOODYKJCUJJH-UHFFFAOYSA-N -1 1 353.386 2.950 20 5 FFBDMM CSc1ccc(F)cc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821984649 606715596 /nfs/dbraw/zinc/71/55/96/606715596.db2.gz QZWHHNGQXCXNTA-UHFFFAOYSA-N -1 1 361.362 2.643 20 5 FFBDMM CSc1ccc(F)cc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821984649 606715598 /nfs/dbraw/zinc/71/55/98/606715598.db2.gz QZWHHNGQXCXNTA-UHFFFAOYSA-N -1 1 361.362 2.643 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1c(F)c(F)cc(F)c1F ZINC000823629640 607163868 /nfs/dbraw/zinc/16/38/68/607163868.db2.gz CWAIAFNWLLQVCY-UHFFFAOYSA-N -1 1 356.195 2.519 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1c(F)c(F)cc(F)c1F ZINC000823629640 607163870 /nfs/dbraw/zinc/16/38/70/607163870.db2.gz CWAIAFNWLLQVCY-UHFFFAOYSA-N -1 1 356.195 2.519 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCCc2ccccc21 ZINC000823620982 607166468 /nfs/dbraw/zinc/16/64/68/607166468.db2.gz VBSOTWJRZFYIOK-LBPRGKRZSA-N -1 1 351.370 2.702 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCCc2ccccc21 ZINC000823620982 607166469 /nfs/dbraw/zinc/16/64/69/607166469.db2.gz VBSOTWJRZFYIOK-LBPRGKRZSA-N -1 1 351.370 2.702 20 5 FFBDMM CCC(CC)[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000825106540 609322299 /nfs/dbraw/zinc/32/22/99/609322299.db2.gz FVRSIHODOSIERN-YPMHNXCESA-N -1 1 361.406 2.566 20 5 FFBDMM CCC(CC)[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000825106540 609322302 /nfs/dbraw/zinc/32/23/02/609322302.db2.gz FVRSIHODOSIERN-YPMHNXCESA-N -1 1 361.406 2.566 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1F ZINC000154242427 728799596 /nfs/dbraw/zinc/79/95/96/728799596.db2.gz NNKXZOMAQHBLQQ-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000159421112 728907076 /nfs/dbraw/zinc/90/70/76/728907076.db2.gz BRTNKHFDWOGEPV-AWEZNQCLSA-N -1 1 370.814 2.569 20 5 FFBDMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000745943415 735453315 /nfs/dbraw/zinc/45/33/15/735453315.db2.gz IIMBEZMDJMYHBJ-OCCSQVGLSA-N -1 1 362.835 2.730 20 5 FFBDMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000120286104 728609231 /nfs/dbraw/zinc/60/92/31/728609231.db2.gz PFTXKVWCUGSMSL-UHFFFAOYSA-N -1 1 371.440 2.707 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000134468951 728730384 /nfs/dbraw/zinc/73/03/84/728730384.db2.gz GOJCSBRODGNYHU-XJKCOSOUSA-N -1 1 362.382 2.598 20 5 FFBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000859421752 730454203 /nfs/dbraw/zinc/45/42/03/730454203.db2.gz FACKFYJIPRVAMI-OCAPTIKFSA-N -1 1 369.226 2.605 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)cc1F ZINC000867052928 731137140 /nfs/dbraw/zinc/13/71/40/731137140.db2.gz VJOLSOJYRLPTEQ-FZMZJTMJSA-N -1 1 360.407 2.524 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000725818088 734393104 /nfs/dbraw/zinc/39/31/04/734393104.db2.gz VGBORVZDVUCHRT-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000735317938 734941465 /nfs/dbraw/zinc/94/14/65/734941465.db2.gz YBVUNAIIDFIBHH-UHFFFAOYSA-N -1 1 366.826 2.942 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000742313208 735225568 /nfs/dbraw/zinc/22/55/68/735225568.db2.gz PBGCBYPOSIJHAK-HONMWMINSA-N -1 1 374.846 2.730 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000769047592 737489419 /nfs/dbraw/zinc/48/94/19/737489419.db2.gz OPLFCYOAGBVGNR-JRPNMDOOSA-N -1 1 350.371 2.541 20 5 FFBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819181 741347587 /nfs/dbraw/zinc/34/75/87/741347587.db2.gz WSFPSMVFJBMBED-SSDOTTSWSA-N -1 1 356.828 2.807 20 5 FFBDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000919961963 737884998 /nfs/dbraw/zinc/88/49/98/737884998.db2.gz QOIIZDZENYCSFT-UHFFFAOYSA-N -1 1 365.367 2.598 20 5 FFBDMM O=C(OCCOCC(F)(F)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000787747356 739166086 /nfs/dbraw/zinc/16/60/86/739166086.db2.gz MTSOHWOMXAJTKN-UHFFFAOYSA-N -1 1 359.203 2.671 20 5 FFBDMM CCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791418991 739561489 /nfs/dbraw/zinc/56/14/89/739561489.db2.gz RJPRQJLEKCJQOP-UHFFFAOYSA-N -1 1 357.215 2.607 20 5 FFBDMM CN(CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000797867515 740282371 /nfs/dbraw/zinc/28/23/71/740282371.db2.gz LGLNYZGNGYZQGS-UHFFFAOYSA-N -1 1 354.359 2.714 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2)cc1Cl ZINC000798224403 740314047 /nfs/dbraw/zinc/31/40/47/740314047.db2.gz HFFXRZYHFMMHTK-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM CC(C)(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809812211 741346604 /nfs/dbraw/zinc/34/66/04/741346604.db2.gz MZZGIEBGNNPZBW-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCc2ccccn2)cc1Cl ZINC000809827430 741349831 /nfs/dbraw/zinc/34/98/31/741349831.db2.gz OAXIOJCZLBCCPX-UHFFFAOYSA-N -1 1 373.793 2.693 20 5 FFBDMM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831393 741350757 /nfs/dbraw/zinc/35/07/57/741350757.db2.gz FGKRKYFYKHWIHN-KZUAUGPASA-N -1 1 369.226 2.507 20 5 FFBDMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809842019 741352767 /nfs/dbraw/zinc/35/27/67/741352767.db2.gz CBLKPDKJIOEBJT-IMTBSYHQSA-N -1 1 371.267 2.931 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000817142016 742094081 /nfs/dbraw/zinc/09/40/81/742094081.db2.gz RIPSSOWZMLHQDT-SNVBAGLBSA-N -1 1 360.432 2.546 20 5 FFBDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000817145517 742095265 /nfs/dbraw/zinc/09/52/65/742095265.db2.gz IOQPEIAVYGHAGW-RKDXNWHRSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCN3C)ccc1[N+](=O)[O-] ZINC000818283907 742257608 /nfs/dbraw/zinc/25/76/08/742257608.db2.gz VAPQTEQOJJFGHA-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000831877387 745598715 /nfs/dbraw/zinc/59/87/15/745598715.db2.gz JAEKJJMJNATVDB-NSHDSACASA-N -1 1 369.226 2.747 20 5 FFBDMM CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000832494193 745707668 /nfs/dbraw/zinc/70/76/68/745707668.db2.gz JBSNUWXKPXRFRC-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC2CCCC2)cc1F ZINC001212079654 981624308 /nfs/dbraw/zinc/62/43/08/981624308.db2.gz DDXXHDPYWIKVPK-UHFFFAOYSA-N -1 1 360.407 2.527 20 5 FFBDMM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCN(C2CC2)C1 ZINC001594560704 986306165 /nfs/dbraw/zinc/30/61/65/986306165.db2.gz ALDIXBBRKCGSNF-JTQLQIEISA-N -1 1 353.806 2.867 20 5 FFBDMM C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593232109 994381710 /nfs/dbraw/zinc/38/17/10/994381710.db2.gz UBRBRYYYRDHYGB-GFCCVEGCSA-N -1 1 357.366 2.607 20 5 FFBDMM Cc1ccc(NCCCNC(=O)c2cnc(C3CC3)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001136872587 996931954 /nfs/dbraw/zinc/93/19/54/996931954.db2.gz VCWZAVHWQDTHBO-UHFFFAOYSA-N -1 1 371.397 2.508 20 5 FFBDMM COc1c(O)ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC001599344675 997981568 /nfs/dbraw/zinc/98/15/68/997981568.db2.gz LQLQZOOTPYIXAH-HNNXBMFYSA-N -1 1 360.366 2.841 20 5 FFBDMM CC(=O)[C@H](Cc1ccc(F)cc1F)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768780071 1000346500 /nfs/dbraw/zinc/34/65/00/1000346500.db2.gz UKWBWOYBYYGFHW-INIZCTEOSA-N -1 1 365.288 2.936 20 5 FFBDMM C[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC001129760305 1003756333 /nfs/dbraw/zinc/75/63/33/1003756333.db2.gz ZWTBYXFKGKUNCS-VIFPVBQESA-N -1 1 360.345 2.851 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1[N-][C@@H](C(=O)OC)C(F)(F)F ZINC001171016591 1009068281 /nfs/dbraw/zinc/06/82/81/1009068281.db2.gz ZSPKYUTUJOAFBP-VIFPVBQESA-N -1 1 370.667 2.551 20 5 FFBDMM O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc([O-])cc1O ZINC001116428821 1021212727 /nfs/dbraw/zinc/21/27/27/1021212727.db2.gz YETNHRRLIISHBW-UHFFFAOYSA-N -1 1 368.301 2.594 20 5 FFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(F)cc1[N+](=O)[O-] ZINC000758116178 1023933830 /nfs/dbraw/zinc/93/38/30/1023933830.db2.gz VECDCZVSDGGECJ-UHFFFAOYSA-N -1 1 359.265 2.903 20 5 FFBDMM COc1cc(C(=O)[N-]c2c3ccccc3oc2C(N)=O)c([N+](=O)[O-])cc1F ZINC001124523297 1024341066 /nfs/dbraw/zinc/34/10/66/1024341066.db2.gz LTWWTDXSVOYILU-UHFFFAOYSA-N -1 1 373.296 2.840 20 5 FFBDMM N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC1C(=O)N=CN=C1[O-] ZINC001218702225 1033288879 /nfs/dbraw/zinc/28/88/79/1033288879.db2.gz MVGFZLXLZOXTSG-KRWDZBQOSA-N -1 1 374.400 2.703 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661104 1034355815 /nfs/dbraw/zinc/35/58/15/1034355815.db2.gz JCNBIXUNCSLADC-PWSUYJOCSA-N -1 1 371.365 2.812 20 5 FFBDMM O=c1cc[n-]c(O[C@@H]2COc3c2cccc3Br)c1[N+](=O)[O-] ZINC001225664472 1034356702 /nfs/dbraw/zinc/35/67/02/1034356702.db2.gz OUVDLDMWOTYYRJ-SNVBAGLBSA-N -1 1 353.128 2.970 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664086 1034357942 /nfs/dbraw/zinc/35/79/42/1034357942.db2.gz JDDVUTNWCQVNKC-LBPRGKRZSA-N -1 1 365.386 2.864 20 5 FFBDMM CC1=C[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)CC(=O)O1 ZINC001234742150 1037161454 /nfs/dbraw/zinc/16/14/54/1037161454.db2.gz MXSIRGGWEHCPKE-NSHDSACASA-N -1 1 354.314 2.956 20 5 FFBDMM COC(=O)[C@H]1C[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742412 1037161656 /nfs/dbraw/zinc/16/16/56/1037161656.db2.gz PGFSYCMWWGQIJS-HOMQSWHASA-N -1 1 356.330 2.688 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231199555 1037499028 /nfs/dbraw/zinc/49/90/28/1037499028.db2.gz DUSKBDAEBNEQKO-LLVKDONJSA-N -1 1 355.354 2.730 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)n1 ZINC001231263800 1037515438 /nfs/dbraw/zinc/51/54/38/1037515438.db2.gz MBOKCKSGRJNNCC-JTNHKYCSSA-N -1 1 365.386 2.781 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 ZINC001231263456 1037517004 /nfs/dbraw/zinc/51/70/04/1037517004.db2.gz JSBXHRXKLMSFAD-DMDPSCGWSA-N -1 1 365.386 2.781 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001208000779 1037931189 /nfs/dbraw/zinc/93/11/89/1037931189.db2.gz KCSJZDNAPNAUGU-LLVKDONJSA-N -1 1 360.395 2.521 20 5 FFBDMM COC(=O)c1cc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210396262 1039521181 /nfs/dbraw/zinc/52/11/81/1039521181.db2.gz PWAXKIQAEQBSRU-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM CSc1nc(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc(=O)[n-]1 ZINC001216538400 1042052450 /nfs/dbraw/zinc/05/24/50/1042052450.db2.gz PQHRNERFLVAFCY-UHFFFAOYSA-N -1 1 363.399 2.751 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCC3(CCC3)O2)cc1F ZINC001309887186 1043573115 /nfs/dbraw/zinc/57/31/15/1043573115.db2.gz LJZKQCIAEOYFMM-GFCCVEGCSA-N -1 1 372.418 2.812 20 5 FFBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1N1CCN(C)CC1 ZINC001320492513 1045417661 /nfs/dbraw/zinc/41/76/61/1045417661.db2.gz YGMSIMVGRQWPEO-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001327404436 1047881622 /nfs/dbraw/zinc/88/16/22/1047881622.db2.gz PZFOXGFPJFRAKD-AYMMMOKOSA-N -1 1 352.746 2.570 20 5 FFBDMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC001309276431 1052590426 /nfs/dbraw/zinc/59/04/26/1052590426.db2.gz ZMRQKMJHWRSLEE-UONOGXRCSA-N -1 1 374.434 2.996 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)cc1F ZINC001309434594 1052618338 /nfs/dbraw/zinc/61/83/38/1052618338.db2.gz WQPDLBBPEVIGHY-VXGBXAGGSA-N -1 1 374.434 2.914 20 5 FFBDMM O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1c(F)cc([O-])cc1F ZINC001456191415 1060044904 /nfs/dbraw/zinc/04/49/04/1060044904.db2.gz BQGZILIVTDBVIQ-UHFFFAOYSA-N -1 1 354.284 2.619 20 5 FFBDMM O=C(Nc1cc(C(=O)OCc2ccccc2)[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001456802603 1060204238 /nfs/dbraw/zinc/20/42/38/1060204238.db2.gz SIPWMYNWZLJMAE-UHFFFAOYSA-N -1 1 366.333 2.927 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC001475367008 1061063385 /nfs/dbraw/zinc/06/33/85/1061063385.db2.gz WDVFSLXXQUBUCQ-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2c1OCC2 ZINC001475716154 1061228218 /nfs/dbraw/zinc/22/82/18/1061228218.db2.gz JADBXGKCOLXDFH-UHFFFAOYSA-N -1 1 368.798 2.662 20 5 FFBDMM COCc1ccccc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001462790448 1061777829 /nfs/dbraw/zinc/77/78/29/1061777829.db2.gz DUMKMEJPJSKXAY-UHFFFAOYSA-N -1 1 368.386 2.667 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCS2)cc1Cl ZINC001464176849 1062466473 /nfs/dbraw/zinc/46/64/73/1062466473.db2.gz IOUBUMJSVXHUDU-QMMMGPOBSA-N -1 1 368.839 2.951 20 5 FFBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])ccc1SCCO ZINC001466117638 1063331398 /nfs/dbraw/zinc/33/13/98/1063331398.db2.gz UAMKVRORQWRBBW-UHFFFAOYSA-N -1 1 352.343 2.776 20 5 FFBDMM O=C(Nc1ccccc1-c1nnc[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001466174462 1063351015 /nfs/dbraw/zinc/35/10/15/1063351015.db2.gz XLQFRDGWYINWPE-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM COC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC1CCCC1 ZINC001579434728 1078629363 /nfs/dbraw/zinc/62/93/63/1078629363.db2.gz ZBEYKJSRKBVMAZ-GFCCVEGCSA-N -1 1 374.401 2.556 20 5 FFBDMM COC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC1CCCC1 ZINC001579434728 1078629366 /nfs/dbraw/zinc/62/93/66/1078629366.db2.gz ZBEYKJSRKBVMAZ-GFCCVEGCSA-N -1 1 374.401 2.556 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)[n-]c1Cl ZINC001584878504 1079400241 /nfs/dbraw/zinc/40/02/41/1079400241.db2.gz BVBOIYGEOZWWLC-UHFFFAOYSA-N -1 1 370.724 2.848 20 5 FFBDMM CNc1c(C(=O)NCCc2c(F)cc([O-])cc2F)cccc1[N+](=O)[O-] ZINC001558516955 1076022806 /nfs/dbraw/zinc/02/28/06/1076022806.db2.gz YURLENPVHSMIDM-UHFFFAOYSA-N -1 1 351.309 2.593 20 5 FFBDMM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC001561892238 1076439923 /nfs/dbraw/zinc/43/99/23/1076439923.db2.gz SLYZSMVFNMJZSH-UHFFFAOYSA-N -1 1 365.411 2.646 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2noc3ccccc23)cc1F ZINC001561909512 1076442823 /nfs/dbraw/zinc/44/28/23/1076442823.db2.gz QAEYQJMPXYTNSQ-UHFFFAOYSA-N -1 1 365.342 2.662 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001586578547 1079650840 /nfs/dbraw/zinc/65/08/40/1079650840.db2.gz AIKBNOIUIUOXAZ-LLVKDONJSA-N -1 1 367.365 2.592 20 5 FFBDMM CC(C)(C(=O)[O-])N1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001589631813 1080643163 /nfs/dbraw/zinc/64/31/63/1080643163.db2.gz XVKVFAUHVKYLFP-UHFFFAOYSA-N -1 1 362.213 2.887 20 5 FFBDMM C[C@H](CCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589836602 1080788733 /nfs/dbraw/zinc/78/87/33/1080788733.db2.gz MHTDBERDNVYAQL-LLVKDONJSA-N -1 1 353.386 2.790 20 5 FFBDMM C[C@H](CCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589836602 1080788739 /nfs/dbraw/zinc/78/87/39/1080788739.db2.gz MHTDBERDNVYAQL-LLVKDONJSA-N -1 1 353.386 2.790 20 5 FFBDMM C[C@@H](O)[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994078 1080927192 /nfs/dbraw/zinc/92/71/92/1080927192.db2.gz DEFSQBAGVPJZAZ-KRTXAFLBSA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@@H](O)[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994078 1080927195 /nfs/dbraw/zinc/92/71/95/1080927195.db2.gz DEFSQBAGVPJZAZ-KRTXAFLBSA-N -1 1 364.362 2.510 20 5 FFBDMM CCOC(=O)c1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c1 ZINC000108998231 206043187 /nfs/dbraw/zinc/04/31/87/206043187.db2.gz SFTFXHWCKXMYNX-UHFFFAOYSA-N -1 1 372.309 2.813 20 5 FFBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000277528135 256208260 /nfs/dbraw/zinc/20/82/60/256208260.db2.gz ZATCXBMUQRFIGF-OAHLLOKOSA-N -1 1 360.366 2.918 20 5 FFBDMM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278996061 256370289 /nfs/dbraw/zinc/37/02/89/256370289.db2.gz QSFBVDLWWYHHPW-CQSZACIVSA-N -1 1 365.773 2.809 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287753275 257109065 /nfs/dbraw/zinc/10/90/65/257109065.db2.gz VCXJXBYVXMLTEY-PGMHBOJBSA-N -1 1 368.397 2.693 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)s1 ZINC000064244915 507787531 /nfs/dbraw/zinc/78/75/31/507787531.db2.gz KXOXGKWHJCUZKE-UHFFFAOYSA-N -1 1 371.421 2.851 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000076308619 508185200 /nfs/dbraw/zinc/18/52/00/508185200.db2.gz NPVHHYPYMVNKRH-SNVBAGLBSA-N -1 1 361.217 2.744 20 5 FFBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000084936091 508297872 /nfs/dbraw/zinc/29/78/72/508297872.db2.gz QOXPWNAHCGGDCA-UHFFFAOYSA-N -1 1 361.379 2.731 20 5 FFBDMM Cn1c(C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[n-]c1=S ZINC000085357627 508303306 /nfs/dbraw/zinc/30/33/06/508303306.db2.gz AZQGPHWNEPCWQU-UHFFFAOYSA-N -1 1 362.415 2.797 20 5 FFBDMM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000122719576 508577399 /nfs/dbraw/zinc/57/73/99/508577399.db2.gz IWCXBKWGNCXARN-RISCZKNCSA-N -1 1 368.386 2.524 20 5 FFBDMM CC[N@H+]1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000159253666 508814908 /nfs/dbraw/zinc/81/49/08/508814908.db2.gz CEIYDLZBUOJXOK-UHFFFAOYSA-N -1 1 350.375 2.821 20 5 FFBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000119663919 508839918 /nfs/dbraw/zinc/83/99/18/508839918.db2.gz AJPRAQYJAUNAEJ-UHFFFAOYSA-N -1 1 372.410 2.758 20 5 FFBDMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000151905682 509108646 /nfs/dbraw/zinc/10/86/46/509108646.db2.gz XQYYKDWKZMPKCI-JTQLQIEISA-N -1 1 354.409 2.596 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000126805853 509131016 /nfs/dbraw/zinc/13/10/16/509131016.db2.gz JNSCPNHGEISANI-UHFFFAOYSA-N -1 1 366.399 2.785 20 5 FFBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([O-])c1 ZINC000133214254 509133364 /nfs/dbraw/zinc/13/33/64/509133364.db2.gz RQANRIOCWSKTSE-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182832140 509448130 /nfs/dbraw/zinc/44/81/30/509448130.db2.gz FMNIWVBYIUFSQF-ZIAGYGMSSA-N -1 1 363.757 2.609 20 5 FFBDMM COc1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)on1 ZINC000431234825 513855246 /nfs/dbraw/zinc/85/52/46/513855246.db2.gz IXYCCOISCTVYAT-UHFFFAOYSA-N -1 1 356.132 2.915 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000186878812 509925805 /nfs/dbraw/zinc/92/58/05/509925805.db2.gz ROARAMGBTJETEC-MRVPVSSYSA-N -1 1 353.281 2.788 20 5 FFBDMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193600737 509984886 /nfs/dbraw/zinc/98/48/86/509984886.db2.gz DVFFEHXIQXHKTR-LKFCYVNXSA-N -1 1 365.773 2.855 20 5 FFBDMM Cc1ccc(-c2nc(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)co2)cc1 ZINC000187056004 510032013 /nfs/dbraw/zinc/03/20/13/510032013.db2.gz KXBBZMIHEOLIJS-UHFFFAOYSA-N -1 1 368.349 2.631 20 5 FFBDMM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193784270 510068087 /nfs/dbraw/zinc/06/80/87/510068087.db2.gz PGTSXSXVBIZYIU-INIZCTEOSA-N -1 1 368.324 2.749 20 5 FFBDMM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194014797 510175851 /nfs/dbraw/zinc/17/58/51/510175851.db2.gz DXXQIXSECGIDJQ-LBPRGKRZSA-N -1 1 357.366 2.554 20 5 FFBDMM CC1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOCC1 ZINC000295193708 511316838 /nfs/dbraw/zinc/31/68/38/511316838.db2.gz RLARYFYTWXUBCI-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000365220140 511322878 /nfs/dbraw/zinc/32/28/78/511322878.db2.gz LWZUGBPUDQQPQL-IAQYHMDHSA-N -1 1 357.366 2.927 20 5 FFBDMM C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000298955308 511464083 /nfs/dbraw/zinc/46/40/83/511464083.db2.gz JCRZNPDUHZXLKX-BETUJISGSA-N -1 1 358.398 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000378374674 512726836 /nfs/dbraw/zinc/72/68/36/512726836.db2.gz DWEKVRPDQCEUHC-DOMZBBRYSA-N -1 1 368.436 2.712 20 5 FFBDMM CCC(CC)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000424944553 513333078 /nfs/dbraw/zinc/33/30/78/513333078.db2.gz VLOXIBNDJGLKGA-UHFFFAOYSA-N -1 1 367.402 2.573 20 5 FFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(F)(F)F ZINC000443937499 514074924 /nfs/dbraw/zinc/07/49/24/514074924.db2.gz HPKNZWAQSUPAAH-PRHODGIISA-N -1 1 370.349 2.859 20 5 FFBDMM Cc1c(F)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432177117 514118723 /nfs/dbraw/zinc/11/87/23/514118723.db2.gz LNAHGFZZHUCAKG-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2F)CC1 ZINC000444996303 514384045 /nfs/dbraw/zinc/38/40/45/514384045.db2.gz ALIRVDVZZSDIEU-UHFFFAOYSA-N -1 1 359.357 2.929 20 5 FFBDMM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445136999 514424521 /nfs/dbraw/zinc/42/45/21/514424521.db2.gz NVBHYLLQINVKOR-XPTSAGLGSA-N -1 1 365.773 2.855 20 5 FFBDMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC3 ZINC000445166225 514432878 /nfs/dbraw/zinc/43/28/78/514432878.db2.gz ZZPCMBDWHFPNPB-LBPRGKRZSA-N -1 1 366.377 2.772 20 5 FFBDMM Cc1cc(F)cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000485228747 514966177 /nfs/dbraw/zinc/96/61/77/514966177.db2.gz RLZZLXVWUADITM-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)s1 ZINC000503775678 515140248 /nfs/dbraw/zinc/14/02/48/515140248.db2.gz QRCBYQAVFLQEDF-UHFFFAOYSA-N -1 1 366.342 2.595 20 5 FFBDMM O=C(NCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000498987612 515154382 /nfs/dbraw/zinc/15/43/82/515154382.db2.gz YKGLVEMUJDGNBY-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000462710684 515206728 /nfs/dbraw/zinc/20/67/28/515206728.db2.gz XVNUEYFGSQJHEF-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000473491334 515632077 /nfs/dbraw/zinc/63/20/77/515632077.db2.gz QAFBBZVEBKDXQI-UHFFFAOYSA-N -1 1 364.379 2.881 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cccc([N+](=O)[O-])c2C)c1Br ZINC000473962745 515823059 /nfs/dbraw/zinc/82/30/59/515823059.db2.gz GJELYSBPKFGDAU-UHFFFAOYSA-N -1 1 353.176 2.625 20 5 FFBDMM COCc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488221621 516163903 /nfs/dbraw/zinc/16/39/03/516163903.db2.gz QACDHTUZJPWRIU-UHFFFAOYSA-N -1 1 370.358 2.690 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000488236453 516170919 /nfs/dbraw/zinc/17/09/19/516170919.db2.gz QHVZKRPOUZATLM-UHFFFAOYSA-N -1 1 368.342 2.574 20 5 FFBDMM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000517520667 516349999 /nfs/dbraw/zinc/34/99/99/516349999.db2.gz RMMRBSCFAKMOLG-UHFFFAOYSA-N -1 1 352.354 2.770 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccncc32)ccc1[N+](=O)[O-] ZINC000532364823 516936010 /nfs/dbraw/zinc/93/60/10/516936010.db2.gz OBWBCHIHDHIWDX-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000559094176 517078803 /nfs/dbraw/zinc/07/88/03/517078803.db2.gz FNNBRGZFQPQXOS-CYBMUJFWSA-N -1 1 353.382 2.723 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCCC1 ZINC000541830362 517237579 /nfs/dbraw/zinc/23/75/79/517237579.db2.gz TVKOIWWOLSYPDP-UHFFFAOYSA-N -1 1 361.423 2.824 20 5 FFBDMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000548941700 517317534 /nfs/dbraw/zinc/31/75/34/517317534.db2.gz FGZMTFNHYYYBIS-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM O=C(c1ccccc1)N(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1 ZINC000545732707 517347288 /nfs/dbraw/zinc/34/72/88/517347288.db2.gz JUERLFHPGNEHKF-UHFFFAOYSA-N -1 1 353.338 2.778 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000549005968 517352202 /nfs/dbraw/zinc/35/22/02/517352202.db2.gz DDDWUNBZLVXCPO-UHFFFAOYSA-N -1 1 361.745 2.942 20 5 FFBDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000542731368 517707409 /nfs/dbraw/zinc/70/74/09/517707409.db2.gz DTNAGOUVOJHSPJ-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000581408744 518269771 /nfs/dbraw/zinc/26/97/71/518269771.db2.gz QJERNANVFSSHFV-UHFFFAOYSA-N -1 1 371.393 2.886 20 5 FFBDMM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000581506077 518319863 /nfs/dbraw/zinc/31/98/63/518319863.db2.gz PXDLWODAVMTUKQ-YMTOWFKASA-N -1 1 374.415 2.850 20 5 FFBDMM Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584722718 518447837 /nfs/dbraw/zinc/44/78/37/518447837.db2.gz OUVJJCQQMJUUJJ-BETUJISGSA-N -1 1 351.403 2.513 20 5 FFBDMM Cc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584722718 518447842 /nfs/dbraw/zinc/44/78/42/518447842.db2.gz OUVJJCQQMJUUJJ-BETUJISGSA-N -1 1 351.403 2.513 20 5 FFBDMM O=C(NCc1ccc(OC2CCCCC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000582465653 518764713 /nfs/dbraw/zinc/76/47/13/518764713.db2.gz PWJNEFNLPCJLDC-UHFFFAOYSA-N -1 1 372.381 2.732 20 5 FFBDMM COc1cc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)ccc1[N+](=O)[O-] ZINC000568074975 518861418 /nfs/dbraw/zinc/86/14/18/518861418.db2.gz SXSFMKOVNDDDFL-UHFFFAOYSA-N -1 1 374.397 2.644 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000612997933 520263411 /nfs/dbraw/zinc/26/34/11/520263411.db2.gz XDLLKLDLQRPSCZ-UHFFFAOYSA-N -1 1 352.368 2.727 20 5 FFBDMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000603910916 520402608 /nfs/dbraw/zinc/40/26/08/520402608.db2.gz AYLPDQXLUMTNGN-LLVKDONJSA-N -1 1 372.381 2.610 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000600837214 520495370 /nfs/dbraw/zinc/49/53/70/520495370.db2.gz VTHYMVJRKDFOQR-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604487390 520576634 /nfs/dbraw/zinc/57/66/34/520576634.db2.gz QBTVGFWUKLVCCX-UHFFFAOYSA-N -1 1 360.757 2.803 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cccc2ccccc21 ZINC000610260877 520607700 /nfs/dbraw/zinc/60/77/00/520607700.db2.gz XWUUSMHRBFEXAA-UHFFFAOYSA-N -1 1 357.391 2.664 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000610664608 520785476 /nfs/dbraw/zinc/78/54/76/520785476.db2.gz SCLWHJMKHGZQFT-UHFFFAOYSA-N -1 1 369.337 2.522 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c(C)c1[N+](=O)[O-] ZINC000598733950 520815907 /nfs/dbraw/zinc/81/59/07/520815907.db2.gz GNPGDZZHMCNPTL-UHFFFAOYSA-N -1 1 361.423 2.958 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000599387306 521191701 /nfs/dbraw/zinc/19/17/01/521191701.db2.gz VHHIEGIMPSPIIZ-UHFFFAOYSA-N -1 1 361.217 2.602 20 5 FFBDMM O=C([C@@H]1CC12CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611532348 521207249 /nfs/dbraw/zinc/20/72/49/521207249.db2.gz WCJDSABCEQUWCJ-KRWDZBQOSA-N -1 1 373.453 2.915 20 5 FFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599431856 521220159 /nfs/dbraw/zinc/22/01/59/521220159.db2.gz QYORULFNSZPRHM-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000619507650 521601808 /nfs/dbraw/zinc/60/18/08/521601808.db2.gz XRPRLYLVLGZELY-GFCCVEGCSA-N -1 1 368.333 2.613 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1Br ZINC000531119245 562435237 /nfs/dbraw/zinc/43/52/37/562435237.db2.gz ZPNBHFXZOGRZMR-UHFFFAOYSA-N -1 1 368.191 2.937 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000738373786 598501300 /nfs/dbraw/zinc/50/13/00/598501300.db2.gz GZGQPESHBMIIEV-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000738373786 598501302 /nfs/dbraw/zinc/50/13/02/598501302.db2.gz GZGQPESHBMIIEV-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(Cc2ccccc2)CC1 ZINC000823619894 607386436 /nfs/dbraw/zinc/38/64/36/607386436.db2.gz CQJNGLFVKWCCEG-UHFFFAOYSA-N -1 1 351.370 2.605 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(Cc2ccccc2)CC1 ZINC000823619894 607386438 /nfs/dbraw/zinc/38/64/38/607386438.db2.gz CQJNGLFVKWCCEG-UHFFFAOYSA-N -1 1 351.370 2.605 20 5 FFBDMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000830369947 601419518 /nfs/dbraw/zinc/41/95/18/601419518.db2.gz VRCGGUAZYHOCEQ-LBPRGKRZSA-N -1 1 360.370 2.530 20 5 FFBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825629361 604101387 /nfs/dbraw/zinc/10/13/87/604101387.db2.gz CCMQDJGFRXFXPP-ZDUSSCGKSA-N -1 1 351.403 2.795 20 5 FFBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410189 604945846 /nfs/dbraw/zinc/94/58/46/604945846.db2.gz AYQSHCANSMZISR-CHWSQXEVSA-N -1 1 363.414 2.745 20 5 FFBDMM O=C([O-])NC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000834155526 605522428 /nfs/dbraw/zinc/52/24/28/605522428.db2.gz JQRNJHXHWCDISC-UHFFFAOYSA-N -1 1 362.411 2.998 20 5 FFBDMM Cc1ccccc1OCCN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822366622 606644931 /nfs/dbraw/zinc/64/49/31/606644931.db2.gz PVGGRCIFHCSQCT-UHFFFAOYSA-N -1 1 354.370 2.599 20 5 FFBDMM CC(C)COc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820102555 606700835 /nfs/dbraw/zinc/70/08/35/606700835.db2.gz BBUUDQDLUWTLNF-UHFFFAOYSA-N -1 1 369.385 2.817 20 5 FFBDMM CC(C)COc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820102555 606700837 /nfs/dbraw/zinc/70/08/37/606700837.db2.gz BBUUDQDLUWTLNF-UHFFFAOYSA-N -1 1 369.385 2.817 20 5 FFBDMM COc1ccc2c(c1)CCC[C@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821849738 606703359 /nfs/dbraw/zinc/70/33/59/606703359.db2.gz OZDGOSBZGHPMLL-CQSZACIVSA-N -1 1 367.369 2.668 20 5 FFBDMM COc1ccc2c(c1)CCC[C@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821849738 606703361 /nfs/dbraw/zinc/70/33/61/606703361.db2.gz OZDGOSBZGHPMLL-CQSZACIVSA-N -1 1 367.369 2.668 20 5 FFBDMM CC(C)n1ncc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc21 ZINC000820214409 606710725 /nfs/dbraw/zinc/71/07/25/606710725.db2.gz ADRNYASRWZHUHQ-UHFFFAOYSA-N -1 1 365.357 2.844 20 5 FFBDMM CC(C)n1ncc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc21 ZINC000820214409 606710727 /nfs/dbraw/zinc/71/07/27/606710727.db2.gz ADRNYASRWZHUHQ-UHFFFAOYSA-N -1 1 365.357 2.844 20 5 FFBDMM Cc1cc(N2CCCC2)ccc1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822207166 607162813 /nfs/dbraw/zinc/16/28/13/607162813.db2.gz MYHKORGLXZDBBB-UHFFFAOYSA-N -1 1 366.385 2.822 20 5 FFBDMM Cc1cc(N2CCCC2)ccc1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822207166 607162814 /nfs/dbraw/zinc/16/28/14/607162814.db2.gz MYHKORGLXZDBBB-UHFFFAOYSA-N -1 1 366.385 2.822 20 5 FFBDMM COCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101571365 728486367 /nfs/dbraw/zinc/48/63/67/728486367.db2.gz QQEOIZPPCSSYIV-UHFFFAOYSA-N -1 1 370.814 2.873 20 5 FFBDMM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119961008 728603243 /nfs/dbraw/zinc/60/32/43/728603243.db2.gz AOUDJQIQYAMKOU-UHFFFAOYSA-N -1 1 356.425 2.842 20 5 FFBDMM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126763858 728704593 /nfs/dbraw/zinc/70/45/93/728704593.db2.gz LPQODPBIONLOMU-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000134665990 728731946 /nfs/dbraw/zinc/73/19/46/728731946.db2.gz WKRWGZMMUIITNF-UHFFFAOYSA-N -1 1 374.777 2.989 20 5 FFBDMM Cc1ccc(OCCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000171103231 728997335 /nfs/dbraw/zinc/99/73/35/728997335.db2.gz PILAJHWBDLGFSB-UHFFFAOYSA-N -1 1 368.386 2.790 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000779810660 738486318 /nfs/dbraw/zinc/48/63/18/738486318.db2.gz GDIJPQWSQXWBMM-UHFFFAOYSA-N -1 1 350.278 2.504 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)cc1F ZINC000867052929 731137173 /nfs/dbraw/zinc/13/71/73/731137173.db2.gz VJOLSOJYRLPTEQ-RISCZKNCSA-N -1 1 360.407 2.524 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000725838656 734395419 /nfs/dbraw/zinc/39/54/19/734395419.db2.gz UUXFPTCIAWMZEE-UHFFFAOYSA-N -1 1 368.798 2.662 20 5 FFBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1C ZINC000731181873 734670018 /nfs/dbraw/zinc/67/00/18/734670018.db2.gz ZMQZHBRSMQALDV-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 ZINC000800994334 740576094 /nfs/dbraw/zinc/57/60/94/740576094.db2.gz UIXRINDLSLOFPI-SSDOTTSWSA-N -1 1 367.343 2.623 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000764533664 737027476 /nfs/dbraw/zinc/02/74/76/737027476.db2.gz LNUQSJWJHDRMGB-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1OC ZINC000765220724 737097811 /nfs/dbraw/zinc/09/78/11/737097811.db2.gz CJGFMTBEWLGAGO-CHWSQXEVSA-N -1 1 360.407 2.606 20 5 FFBDMM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000766079455 737191359 /nfs/dbraw/zinc/19/13/59/737191359.db2.gz GZHZONIXMOGYKC-CHWSQXEVSA-N -1 1 360.407 2.604 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000769050908 737489790 /nfs/dbraw/zinc/48/97/90/737489790.db2.gz XZOSDEUXFUPIMW-QMMMGPOBSA-N -1 1 365.729 2.533 20 5 FFBDMM CSC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818946 741347643 /nfs/dbraw/zinc/34/76/43/741347643.db2.gz SDXJUBTWIRNTHJ-LURJTMIESA-N -1 1 359.256 2.931 20 5 FFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1F ZINC000769722854 737557988 /nfs/dbraw/zinc/55/79/88/737557988.db2.gz GXLIDLNYBYACSR-UHFFFAOYSA-N -1 1 350.253 2.943 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000773381187 737901099 /nfs/dbraw/zinc/90/10/99/737901099.db2.gz MMNPPVUOVHMLIQ-UHFFFAOYSA-N -1 1 362.363 2.683 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000921856377 738057246 /nfs/dbraw/zinc/05/72/46/738057246.db2.gz RVMHZVGHCYWINS-BXUZGUMPSA-N -1 1 374.846 2.732 20 5 FFBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C(=O)[O-] ZINC000923263379 738263012 /nfs/dbraw/zinc/26/30/12/738263012.db2.gz MFEWSFAUUXVFRR-CABZTGNLSA-N -1 1 357.204 2.900 20 5 FFBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800792 738320980 /nfs/dbraw/zinc/32/09/80/738320980.db2.gz WVAXMFSLEJLUBG-UHFFFAOYSA-N -1 1 358.311 2.641 20 5 FFBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000786896701 739086778 /nfs/dbraw/zinc/08/67/78/739086778.db2.gz LUPAQSPRIOESAF-UHFFFAOYSA-N -1 1 356.379 2.846 20 5 FFBDMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000799541893 740428085 /nfs/dbraw/zinc/42/80/85/740428085.db2.gz ZMBMJZFAMCUWJN-UHFFFAOYSA-N -1 1 364.379 2.501 20 5 FFBDMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393872 741305428 /nfs/dbraw/zinc/30/54/28/741305428.db2.gz XUKRESMEKCDFIO-XCBNKYQSSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccoc2)c(Cl)cc1Cl ZINC000809810002 741346262 /nfs/dbraw/zinc/34/62/62/741346262.db2.gz HTOLZXDKIBRRCH-UHFFFAOYSA-N -1 1 351.167 2.973 20 5 FFBDMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819495 741347947 /nfs/dbraw/zinc/34/79/47/741347947.db2.gz VUTNAJAZIZMLBL-GFCCVEGCSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCSC2)cc1Cl ZINC000809824078 741349115 /nfs/dbraw/zinc/34/91/15/741349115.db2.gz YKJHGKZXKHXBEG-SSDOTTSWSA-N 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C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986324 741879658 /nfs/dbraw/zinc/87/96/58/741879658.db2.gz MXUSNPAHXIPZBV-QMMMGPOBSA-N -1 1 362.766 2.890 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1O ZINC000815015076 741882107 /nfs/dbraw/zinc/88/21/07/741882107.db2.gz FYMCQBPNDKNDIQ-UHFFFAOYSA-N -1 1 374.777 2.614 20 5 FFBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ncc2Br)s1 ZINC000824153773 743027937 /nfs/dbraw/zinc/02/79/37/743027937.db2.gz VBWOPEXSJRDOMM-UHFFFAOYSA-N -1 1 372.204 2.809 20 5 FFBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841537482 747389361 /nfs/dbraw/zinc/38/93/61/747389361.db2.gz UTUTUHFYRXMZCV-OCAPTIKFSA-N -1 1 369.226 2.747 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000841569542 747406424 /nfs/dbraw/zinc/40/64/24/747406424.db2.gz BBLYMSLJBQTXAU-LLVKDONJSA-N -1 1 350.824 2.588 20 5 FFBDMM CCCc1ncc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000848592463 748969392 /nfs/dbraw/zinc/96/93/92/748969392.db2.gz UCPYBGGTVUPQMM-UHFFFAOYSA-N -1 1 355.297 2.823 20 5 FFBDMM CCSC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000851819791 749687640 /nfs/dbraw/zinc/68/76/40/749687640.db2.gz ITOGNFOTKCKLJY-UHFFFAOYSA-N -1 1 368.839 2.951 20 5 FFBDMM CN1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000844210476 997728415 /nfs/dbraw/zinc/72/84/15/997728415.db2.gz YYDOFEHHVBPAQA-KRWDZBQOSA-N -1 1 369.421 2.585 20 5 FFBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001594207549 998800149 /nfs/dbraw/zinc/80/01/49/998800149.db2.gz FXWXXHLNDLKEEY-QWRGUYRKSA-N -1 1 350.371 2.535 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736194718 999548108 /nfs/dbraw/zinc/54/81/08/999548108.db2.gz BXIMZNRCVLRXTB-UHFFFAOYSA-N -1 1 363.257 2.681 20 5 FFBDMM O=C(COC(=O)c1c([O-])cc(F)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000745522822 999917554 /nfs/dbraw/zinc/91/75/54/999917554.db2.gz OHGNIZSDAGTCOY-UHFFFAOYSA-N -1 1 370.239 2.513 20 5 FFBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168914372 1000008495 /nfs/dbraw/zinc/00/84/95/1000008495.db2.gz LVJBJDCDJUEULB-UHFFFAOYSA-N -1 1 367.365 2.927 20 5 FFBDMM O=C([O-])Cc1ccccc1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000846242296 1000242102 /nfs/dbraw/zinc/24/21/02/1000242102.db2.gz RISUECLMYSSDRI-UHFFFAOYSA-N -1 1 355.394 2.544 20 5 FFBDMM CCc1cccc(C)c1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044554 1000413098 /nfs/dbraw/zinc/41/30/98/1000413098.db2.gz AXTODZJKXJKVGE-UHFFFAOYSA-N -1 1 358.350 2.967 20 5 FFBDMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770618829 1000864626 /nfs/dbraw/zinc/86/46/26/1000864626.db2.gz POJGQKBDXOWZFZ-CYBMUJFWSA-N -1 1 355.350 2.872 20 5 FFBDMM Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000770721637 1000885110 /nfs/dbraw/zinc/88/51/10/1000885110.db2.gz FZPQHKHEJYQWPP-INIZCTEOSA-N -1 1 370.409 2.745 20 5 FFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cn[n-]n2)cc1OC ZINC000805608206 1004087125 /nfs/dbraw/zinc/08/71/25/1004087125.db2.gz ARONIYHRFCSSGC-SNVBAGLBSA-N -1 1 364.358 2.503 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)c2cccc3ncccc32)cccc1[N+](=O)[O-] ZINC000776561700 1005930420 /nfs/dbraw/zinc/93/04/20/1005930420.db2.gz QHYPRMJLZWFYTJ-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203691 1018736351 /nfs/dbraw/zinc/73/63/51/1018736351.db2.gz NYBICEFIUDXLIK-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074122 1019559025 /nfs/dbraw/zinc/55/90/25/1019559025.db2.gz GYHHZXYCZXAMBD-ZDUSSCGKSA-N -1 1 372.377 2.513 20 5 FFBDMM O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074027 1019567356 /nfs/dbraw/zinc/56/73/56/1019567356.db2.gz FEPXGIGKZVEUFV-UHFFFAOYSA-N -1 1 357.322 2.603 20 5 FFBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C)C1 ZINC000780075284 1019591607 /nfs/dbraw/zinc/59/16/07/1019591607.db2.gz JPZUPIDZQSUINL-BLLLJJGKSA-N -1 1 364.398 2.740 20 5 FFBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000780075329 1019594305 /nfs/dbraw/zinc/59/43/05/1019594305.db2.gz NQCCZBFLJRNFHX-BLLLJJGKSA-N -1 1 364.398 2.883 20 5 FFBDMM C[C@H](CNC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780076007 1019641668 /nfs/dbraw/zinc/64/16/68/1019641668.db2.gz OKBYMSGEZMTPAG-OLZOCXBDSA-N -1 1 372.377 2.766 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)c1 ZINC001116592485 1021300179 /nfs/dbraw/zinc/30/01/79/1021300179.db2.gz AEMIANAYZINXJQ-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000751432603 1022828656 /nfs/dbraw/zinc/82/86/56/1022828656.db2.gz JOAWYGDAMBDRLC-ZDUSSCGKSA-N -1 1 368.393 2.679 20 5 FFBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000758194603 1023953393 /nfs/dbraw/zinc/95/33/93/1023953393.db2.gz KZXUGDSZSSGCSY-UHFFFAOYSA-N -1 1 368.349 2.936 20 5 FFBDMM Cc1cc(Cl)c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC001149500398 1031523673 /nfs/dbraw/zinc/52/36/73/1031523673.db2.gz LVZLDRGVRKNKQE-AWEZNQCLSA-N -1 1 372.772 2.589 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cccc(C)c2[N+](=O)[O-])[n-]c1Cl ZINC001535554702 1069832009 /nfs/dbraw/zinc/83/20/09/1069832009.db2.gz XZXMDPNBWMSTCH-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM CC(C)(C)OC(=O)N1CCCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661181 1034355880 /nfs/dbraw/zinc/35/58/80/1034355880.db2.gz LTZIWKRSWNSYCJ-NSHDSACASA-N -1 1 353.375 2.864 20 5 FFBDMM Cc1nc(=O)[n-]c(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1Cl ZINC001227111937 1034938941 /nfs/dbraw/zinc/93/89/41/1034938941.db2.gz UAJQHAODLBGPPD-ZETCQYMHSA-N -1 1 353.718 2.921 20 5 FFBDMM CC1=C(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C(=O)O[C@@H]1C ZINC001227309537 1035502926 /nfs/dbraw/zinc/50/29/26/1035502926.db2.gz NMGVSIUXOYOGIH-SECBINFHSA-N -1 1 354.314 2.956 20 5 FFBDMM CC1(C)COC(=O)[C@@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229803767 1036907725 /nfs/dbraw/zinc/90/77/25/1036907725.db2.gz RZWRQFVRXMJIEU-INIZCTEOSA-N -1 1 356.330 2.688 20 5 FFBDMM C[C@@H]1COCC[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234748721 1037164198 /nfs/dbraw/zinc/16/41/98/1037164198.db2.gz JRCJQDLBOTXFLH-OTYXRUKQSA-N -1 1 358.346 2.867 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001231259540 1037514342 /nfs/dbraw/zinc/51/43/42/1037514342.db2.gz NYMWGKQKDVRIOO-SNVBAGLBSA-N -1 1 353.375 2.638 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC001231261085 1037515532 /nfs/dbraw/zinc/51/55/32/1037515532.db2.gz XXRDTBVHEFOJOH-YOEHRIQHSA-N -1 1 373.409 2.672 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)n1 ZINC001231264873 1037518471 /nfs/dbraw/zinc/51/84/71/1037518471.db2.gz VJWXJPAAXRTLGU-NTZNESFSSA-N -1 1 365.386 2.638 20 5 FFBDMM Cc1cc(C)n(Cc2cccc(-c3nnc(-c4[n-]cnc4[N+](=O)[O-])o3)c2)n1 ZINC001257456652 1038816556 /nfs/dbraw/zinc/81/65/56/1038816556.db2.gz SJFNZOWZRQYKBM-UHFFFAOYSA-N -1 1 365.353 2.897 20 5 FFBDMM CN1CCN(c2cccc3[nH]c(-c4cc([N+](=O)[O-])ccc4[O-])nc32)CC1 ZINC001251046756 1038911454 /nfs/dbraw/zinc/91/14/54/1038911454.db2.gz ZAERPHLUVBXGCH-UHFFFAOYSA-N -1 1 353.382 2.596 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001211216471 1040003672 /nfs/dbraw/zinc/00/36/72/1040003672.db2.gz NMFSLGVWHLGLND-UHFFFAOYSA-N -1 1 372.349 2.669 20 5 FFBDMM CC1(C)CO[C@@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001309844181 1043550678 /nfs/dbraw/zinc/55/06/78/1043550678.db2.gz NNVZZXAYNXUGTI-JTQLQIEISA-N -1 1 362.835 2.732 20 5 FFBDMM CC1(C)CO[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001309844182 1043550729 /nfs/dbraw/zinc/55/07/29/1043550729.db2.gz NNVZZXAYNXUGTI-SNVBAGLBSA-N -1 1 362.835 2.732 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001457973482 1060481133 /nfs/dbraw/zinc/48/11/33/1060481133.db2.gz XUIQSVQFKQGRDX-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM CC[C@@H](C[C@H](C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475605695 1061161682 /nfs/dbraw/zinc/16/16/82/1061161682.db2.gz WSEYDFZWIISXNF-YUMQZZPRSA-N -1 1 371.242 2.729 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1cccc(F)c1 ZINC001475674233 1061196226 /nfs/dbraw/zinc/19/62/26/1061196226.db2.gz LBGGNBAECBRIGJ-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM COc1ccc(CNC(=O)NCc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001477545646 1061732645 /nfs/dbraw/zinc/73/26/45/1061732645.db2.gz XSOSZQVNDRYYJK-UHFFFAOYSA-N -1 1 365.773 2.962 20 5 FFBDMM Cc1cccnc1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001463742388 1062236847 /nfs/dbraw/zinc/23/68/47/1062236847.db2.gz BRVSDYXIRBPMMB-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)n1 ZINC001435096759 1062394102 /nfs/dbraw/zinc/39/41/02/1062394102.db2.gz ILJXFVKYOWERPW-UHFFFAOYSA-N -1 1 355.379 2.993 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C/C=C\c1cccnc1 ZINC001464057695 1062402394 /nfs/dbraw/zinc/40/23/94/1062402394.db2.gz HENAENYOLUJGPX-RQOWECAXSA-N -1 1 353.787 2.635 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)cc1F ZINC001464608029 1062713501 /nfs/dbraw/zinc/71/35/01/1062713501.db2.gz KBHNBRXSCSEFFM-MRXNPFEDSA-N -1 1 365.386 2.867 20 5 FFBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001475018755 1065675695 /nfs/dbraw/zinc/67/56/95/1065675695.db2.gz CJZHVKCIWWQLEJ-JTQLQIEISA-N -1 1 350.437 2.852 20 5 FFBDMM Cc1ccc(-c2nnc([N-]C(=O)c3ccnc(N)c3[N+](=O)[O-])s2)c(C)c1 ZINC001583437972 1079214985 /nfs/dbraw/zinc/21/49/85/1079214985.db2.gz NMNZCOLUPBTFLJ-UHFFFAOYSA-N -1 1 370.394 2.960 20 5 FFBDMM O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)C(=O)c1ccc([O-])cc1 ZINC001559006223 1076114461 /nfs/dbraw/zinc/11/44/61/1076114461.db2.gz AQOUNSCFDBWAKQ-UHFFFAOYSA-N -1 1 352.306 2.512 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)cc1F ZINC001561518199 1076387858 /nfs/dbraw/zinc/38/78/58/1076387858.db2.gz WYRDJUDTHSKHCW-ZDUSSCGKSA-N -1 1 374.434 2.509 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)cc1F ZINC001561606932 1076397865 /nfs/dbraw/zinc/39/78/65/1076397865.db2.gz QUNFRAXFNOZQDV-CYBMUJFWSA-N -1 1 374.434 2.509 20 5 FFBDMM Cc1cccnc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001562014177 1076466358 /nfs/dbraw/zinc/46/63/58/1076466358.db2.gz VUDOKDIFLUXLFL-JTQLQIEISA-N -1 1 355.803 2.991 20 5 FFBDMM CSc1nc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(=O)[n-]1 ZINC001570806527 1077232297 /nfs/dbraw/zinc/23/22/97/1077232297.db2.gz MUTYBJUIFXBSGF-UHFFFAOYSA-N -1 1 368.802 2.704 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001574090580 1077895167 /nfs/dbraw/zinc/89/51/67/1077895167.db2.gz BBQAJYSGGQVXNM-INIZCTEOSA-N -1 1 358.350 2.605 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000272428354 252036795 /nfs/dbraw/zinc/03/67/95/252036795.db2.gz JBRWWZZQTIYMAL-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM CC(C)Oc1cc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)ccn1 ZINC000277934521 256257296 /nfs/dbraw/zinc/25/72/96/256257296.db2.gz BERMAUARRLDINX-UHFFFAOYSA-N -1 1 372.381 2.682 20 5 FFBDMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295087427 511277664 /nfs/dbraw/zinc/27/76/64/511277664.db2.gz FNIKFEBKRQAESQ-UFUPEUMYSA-N -1 1 369.226 2.507 20 5 FFBDMM O=C(NCc1cccc(-c2cccnc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373195751 512216817 /nfs/dbraw/zinc/21/68/17/512216817.db2.gz MUAGYLZVOJTWFX-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM Cc1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042219682 506610788 /nfs/dbraw/zinc/61/07/88/506610788.db2.gz FWSDMMWXCUEPES-UHFFFAOYSA-N -1 1 362.289 2.948 20 5 FFBDMM Cc1nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000009927283 506717872 /nfs/dbraw/zinc/71/78/72/506717872.db2.gz XXILBZNDRFBCMS-UHFFFAOYSA-N -1 1 368.802 2.679 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000055643790 506810909 /nfs/dbraw/zinc/81/09/09/506810909.db2.gz LQHSZAUBEFGIDK-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000046231129 507101649 /nfs/dbraw/zinc/10/16/49/507101649.db2.gz IEXMECROYKQDAT-UHFFFAOYSA-N -1 1 365.411 2.844 20 5 FFBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000077981154 507823264 /nfs/dbraw/zinc/82/32/64/507823264.db2.gz HFZLYDDDJQCHQZ-UHFFFAOYSA-N -1 1 359.264 2.669 20 5 FFBDMM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000101577026 508248301 /nfs/dbraw/zinc/24/83/01/508248301.db2.gz IAQVLMLHXUNRRL-HNNXBMFYSA-N -1 1 368.411 2.880 20 5 FFBDMM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000118438307 508650812 /nfs/dbraw/zinc/65/08/12/508650812.db2.gz UOUMBQDFUVBOND-ZWNOBZJWSA-N -1 1 362.473 2.776 20 5 FFBDMM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000119529647 508813435 /nfs/dbraw/zinc/81/34/35/508813435.db2.gz MMVXHFNBFREVDP-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCS1 ZINC000126223187 509072755 /nfs/dbraw/zinc/07/27/55/509072755.db2.gz GGMSCRBOKNPDCF-GFCCVEGCSA-N -1 1 350.849 2.812 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1[N+](=O)[O-] ZINC000185656724 509288590 /nfs/dbraw/zinc/28/85/90/509288590.db2.gz MMGUGSKRRXLLPZ-QHCPKHFHSA-N -1 1 368.436 2.583 20 5 FFBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2CC2)s1 ZINC000173484767 509629885 /nfs/dbraw/zinc/62/98/85/509629885.db2.gz YVXNTCNGKXXTDA-LLVKDONJSA-N -1 1 359.454 2.851 20 5 FFBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000176897519 509752742 /nfs/dbraw/zinc/75/27/42/509752742.db2.gz CNQVRISAAYSXRO-VHSXEESVSA-N -1 1 350.487 2.999 20 5 FFBDMM CCC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000183483177 509818722 /nfs/dbraw/zinc/81/87/22/509818722.db2.gz QAFIQFHHTMUSHJ-VIFPVBQESA-N -1 1 370.822 2.511 20 5 FFBDMM CCC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000183483199 509819806 /nfs/dbraw/zinc/81/98/06/509819806.db2.gz QAFIQFHHTMUSHJ-SECBINFHSA-N -1 1 370.822 2.511 20 5 FFBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000177021193 509821979 /nfs/dbraw/zinc/82/19/79/509821979.db2.gz GIANGIQUGJBADK-LBPRGKRZSA-N -1 1 355.441 2.769 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000193334808 509870604 /nfs/dbraw/zinc/87/06/04/509870604.db2.gz BPCVPMDZLRMYDE-QMMMGPOBSA-N -1 1 366.171 2.949 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000187146084 510086084 /nfs/dbraw/zinc/08/60/84/510086084.db2.gz NRZPONCRCVBMNT-LBPRGKRZSA-N -1 1 359.407 2.950 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175276973 510566632 /nfs/dbraw/zinc/56/66/32/510566632.db2.gz UEDGGOJIKIPXMA-MRXNPFEDSA-N -1 1 371.393 2.559 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000188255570 510671729 /nfs/dbraw/zinc/67/17/29/510671729.db2.gz WMPGRPVDSHTXPQ-QGZVFWFLSA-N -1 1 364.361 2.742 20 5 FFBDMM Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000263667187 510778576 /nfs/dbraw/zinc/77/85/76/510778576.db2.gz DWAOSVYNFTZCKA-UHFFFAOYSA-N -1 1 374.422 2.673 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295098525 511281518 /nfs/dbraw/zinc/28/15/18/511281518.db2.gz GCIIAOOJGCFGQH-SFYZADRCSA-N -1 1 369.226 2.747 20 5 FFBDMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000273937885 511662884 /nfs/dbraw/zinc/66/28/84/511662884.db2.gz JNADXXPLSIKOIJ-UHFFFAOYSA-N -1 1 361.255 2.787 20 5 FFBDMM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000368033484 512772322 /nfs/dbraw/zinc/77/23/22/512772322.db2.gz AEXDYUUVENUBCQ-LLVKDONJSA-N -1 1 371.415 2.855 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000435803732 513686791 /nfs/dbraw/zinc/68/67/91/513686791.db2.gz JEUKNHJONBAFSY-SECBINFHSA-N -1 1 358.807 2.504 20 5 FFBDMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443242581 513909706 /nfs/dbraw/zinc/90/97/06/513909706.db2.gz VUGIURRNAZQJTP-CQSZACIVSA-N -1 1 364.851 2.714 20 5 FFBDMM COc1ccc([C@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000426801699 514046215 /nfs/dbraw/zinc/04/62/15/514046215.db2.gz SECOIRUNZFBEJT-HNNXBMFYSA-N -1 1 360.366 2.918 20 5 FFBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000443925627 514072865 /nfs/dbraw/zinc/07/28/65/514072865.db2.gz IUFSWIWMCDIWIH-PRHODGIISA-N -1 1 370.349 2.859 20 5 FFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437368548 514149835 /nfs/dbraw/zinc/14/98/35/514149835.db2.gz BDPFSTRUDFWOKX-JOYOIKCWSA-N -1 1 351.721 2.774 20 5 FFBDMM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000432298584 514152717 /nfs/dbraw/zinc/15/27/17/514152717.db2.gz NCJWPYVSLBLGSC-UHFFFAOYSA-N -1 1 362.473 2.918 20 5 FFBDMM O=C([O-])CC[C@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000424267802 514440338 /nfs/dbraw/zinc/44/03/38/514440338.db2.gz YXYQVYQPUJGVIZ-CYBMUJFWSA-N -1 1 360.370 2.864 20 5 FFBDMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000421146125 514503351 /nfs/dbraw/zinc/50/33/51/514503351.db2.gz YUZMPODKNQCRLY-INIZCTEOSA-N -1 1 364.423 2.903 20 5 FFBDMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000421146127 514503534 /nfs/dbraw/zinc/50/35/34/514503534.db2.gz YUZMPODKNQCRLY-MRXNPFEDSA-N -1 1 364.423 2.903 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(c2nc3ccccc3s2)C1 ZINC000479481553 514599892 /nfs/dbraw/zinc/59/98/92/514599892.db2.gz SFZJKLGLUIROGN-UHFFFAOYSA-N -1 1 356.363 2.545 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000480165658 514860721 /nfs/dbraw/zinc/86/07/21/514860721.db2.gz WMRPXSCPRAPYEW-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM CN(C)c1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000468948277 515596351 /nfs/dbraw/zinc/59/63/51/515596351.db2.gz KCRNEMGFAKCNRL-UHFFFAOYSA-N -1 1 369.830 2.793 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)s1 ZINC000487085079 515751205 /nfs/dbraw/zinc/75/12/05/515751205.db2.gz LALCCQYOJJLFTR-LBPRGKRZSA-N -1 1 370.477 2.965 20 5 FFBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000483187603 515974278 /nfs/dbraw/zinc/97/42/78/515974278.db2.gz DEVUDJIFDZSGFD-UHFFFAOYSA-N -1 1 368.143 2.724 20 5 FFBDMM Cc1cccn(Cc2c(F)cccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1=O ZINC000517772948 516448629 /nfs/dbraw/zinc/44/86/29/516448629.db2.gz RJKZBQNBFWWQFE-UHFFFAOYSA-N -1 1 370.340 2.833 20 5 FFBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561560005 516653194 /nfs/dbraw/zinc/65/31/94/516653194.db2.gz YTSIGWYOJKJNQB-CPFSXVBKSA-N -1 1 358.372 2.596 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000555414231 516915948 /nfs/dbraw/zinc/91/59/48/516915948.db2.gz GMBNNIKYOPJSER-SECBINFHSA-N -1 1 367.330 2.633 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000555414232 516916273 /nfs/dbraw/zinc/91/62/73/516916273.db2.gz GMBNNIKYOPJSER-VIFPVBQESA-N -1 1 367.330 2.633 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000562434838 517106136 /nfs/dbraw/zinc/10/61/36/517106136.db2.gz UHLUYHFXKZYRIF-AULYBMBSSA-N -1 1 367.814 2.868 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(-c2cccnc2)c1 ZINC000545211379 517107419 /nfs/dbraw/zinc/10/74/19/517107419.db2.gz ISNAEJZTFDGOIV-UHFFFAOYSA-N -1 1 370.390 2.530 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sccc2S(C)(=O)=O)c1 ZINC000549307381 517503265 /nfs/dbraw/zinc/50/32/65/517503265.db2.gz SRJWZKQFFXHMJW-UHFFFAOYSA-N -1 1 370.408 2.711 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000527326709 517641577 /nfs/dbraw/zinc/64/15/77/517641577.db2.gz CZNLGXSNHSSVCL-HUUCEWRRSA-N -1 1 361.423 2.680 20 5 FFBDMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000522711342 518153156 /nfs/dbraw/zinc/15/31/56/518153156.db2.gz WNGXTGSJCBPZCT-ZDUSSCGKSA-N -1 1 374.372 2.542 20 5 FFBDMM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000577530259 519126993 /nfs/dbraw/zinc/12/69/93/519126993.db2.gz FMKYZKQTJAOVKH-UHFFFAOYSA-N -1 1 350.462 2.512 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000590066034 519140940 /nfs/dbraw/zinc/14/09/40/519140940.db2.gz VRLXAYQVULJSSI-CYBMUJFWSA-N -1 1 372.349 2.888 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccn3)CC2)c1 ZINC000566293873 519417520 /nfs/dbraw/zinc/41/75/20/519417520.db2.gz IFMILKDBEGBLTK-UHFFFAOYSA-N -1 1 356.382 2.765 20 5 FFBDMM O=C([O-])c1cnc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000566294378 519419371 /nfs/dbraw/zinc/41/93/71/519419371.db2.gz AFBDHHSSRAILEA-CQSZACIVSA-N -1 1 360.370 2.920 20 5 FFBDMM C[C@@H]1CN(c2cc(F)cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)C[C@H](C)O1 ZINC000581197535 519572617 /nfs/dbraw/zinc/57/26/17/519572617.db2.gz FLXVDFCHMJERTI-PHIMTYICSA-N -1 1 362.361 2.928 20 5 FFBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C(C)C)cc1 ZINC000594745548 520129563 /nfs/dbraw/zinc/12/95/63/520129563.db2.gz VLTRGHKFTFRJOZ-OAHLLOKOSA-N -1 1 365.411 2.674 20 5 FFBDMM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594756496 520136471 /nfs/dbraw/zinc/13/64/71/520136471.db2.gz YIJDUHAPJTWUNY-GFCCVEGCSA-N -1 1 365.411 2.817 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2F)C(C)C)c([N+](=O)[O-])n1 ZINC000594830707 520176722 /nfs/dbraw/zinc/17/67/22/520176722.db2.gz JFSDQWXQPZUELH-AWEZNQCLSA-N -1 1 370.406 2.626 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)s1 ZINC000594851562 520188995 /nfs/dbraw/zinc/18/89/95/520188995.db2.gz CBLCJNYKZLKUKR-STQMWFEESA-N -1 1 368.436 2.507 20 5 FFBDMM COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OC(F)F)c1 ZINC000609534914 520346520 /nfs/dbraw/zinc/34/65/20/520346520.db2.gz AEYVWVUKFNRQBN-UHFFFAOYSA-N -1 1 355.253 2.563 20 5 FFBDMM COc1cc(CN2CCC(C)(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000592399923 520369916 /nfs/dbraw/zinc/36/99/16/520369916.db2.gz YXJIRMZDEBODOH-UHFFFAOYSA-N -1 1 374.340 2.892 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC000595381464 520439253 /nfs/dbraw/zinc/43/92/53/520439253.db2.gz LSPBMYFNSRXMPF-UHFFFAOYSA-N -1 1 352.359 2.563 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000610759683 520831904 /nfs/dbraw/zinc/83/19/04/520831904.db2.gz OVUDPZKDGYNWBJ-UHFFFAOYSA-N -1 1 361.217 2.578 20 5 FFBDMM COc1cc(CNC[C@]2(C)COc3ccccc3O2)c([N+](=O)[O-])cc1O ZINC000598985356 520960426 /nfs/dbraw/zinc/96/04/26/520960426.db2.gz OTFPGSMWFSDJLO-GOSISDBHSA-N -1 1 360.366 2.629 20 5 FFBDMM Cc1ccc(CN2CC[C@H](NC(=O)c3cccc([O-])c3[N+](=O)[O-])C2)cc1 ZINC000601881422 521004318 /nfs/dbraw/zinc/00/43/18/521004318.db2.gz MKWFAYAHCRWXJM-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM CCS(=O)(=O)[N-]c1cc(-c2cc([N+](=O)[O-])ccc2CO)ccc1OC ZINC000596634720 521179969 /nfs/dbraw/zinc/17/99/69/521179969.db2.gz NDFJDFWVNOTXHG-UHFFFAOYSA-N -1 1 366.395 2.524 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)s1 ZINC000599376922 521184061 /nfs/dbraw/zinc/18/40/61/521184061.db2.gz YPJBUPLAAHDCIP-ZLKJLUDKSA-N -1 1 370.839 2.926 20 5 FFBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593747783 521188676 /nfs/dbraw/zinc/18/86/76/521188676.db2.gz CEAZYDJHIDZANP-ONGXEEELSA-N -1 1 374.340 2.747 20 5 FFBDMM CN(Cc1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736828202 599269694 /nfs/dbraw/zinc/26/96/94/599269694.db2.gz IZDSJWSJVIWFGX-UHFFFAOYSA-N -1 1 361.365 2.960 20 5 FFBDMM CN(Cc1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736828202 599269697 /nfs/dbraw/zinc/26/96/97/599269697.db2.gz IZDSJWSJVIWFGX-UHFFFAOYSA-N -1 1 361.365 2.960 20 5 FFBDMM O=[N+]([O-])c1cc(F)cc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000823635259 607331522 /nfs/dbraw/zinc/33/15/22/607331522.db2.gz UPQUYBZBKWPUSO-UHFFFAOYSA-N -1 1 353.273 2.650 20 5 FFBDMM CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694051 604674690 /nfs/dbraw/zinc/67/46/90/604674690.db2.gz HFZUTTOFJOMTIM-HNNXBMFYSA-N -1 1 370.283 2.975 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000827454529 604885176 /nfs/dbraw/zinc/88/51/76/604885176.db2.gz CCOJADKVKMPKTF-GFCCVEGCSA-N -1 1 374.397 2.804 20 5 FFBDMM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410193 604945370 /nfs/dbraw/zinc/94/53/70/604945370.db2.gz AYQSHCANSMZISR-QWHCGFSZSA-N -1 1 363.414 2.745 20 5 FFBDMM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000833449811 605047469 /nfs/dbraw/zinc/04/74/69/605047469.db2.gz BQYGEVHAMMZWCK-GFCCVEGCSA-N -1 1 360.370 2.561 20 5 FFBDMM CCCOc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821133811 606699184 /nfs/dbraw/zinc/69/91/84/606699184.db2.gz FTWQHYZWINVUKP-UHFFFAOYSA-N -1 1 355.358 2.571 20 5 FFBDMM CCCOc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821133811 606699185 /nfs/dbraw/zinc/69/91/85/606699185.db2.gz FTWQHYZWINVUKP-UHFFFAOYSA-N -1 1 355.358 2.571 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823640153 606703909 /nfs/dbraw/zinc/70/39/09/606703909.db2.gz VKNQHBSIVWPTLG-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823640153 606703912 /nfs/dbraw/zinc/70/39/12/606703912.db2.gz VKNQHBSIVWPTLG-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM CCCCO[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821071298 606714818 /nfs/dbraw/zinc/71/48/18/606714818.db2.gz AKRXWXLEFCTTID-NEPJUHHUSA-N -1 1 361.406 2.566 20 5 FFBDMM CCCCO[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821071298 606714819 /nfs/dbraw/zinc/71/48/19/606714819.db2.gz AKRXWXLEFCTTID-NEPJUHHUSA-N -1 1 361.406 2.566 20 5 FFBDMM CCC(CC)[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000825106538 609322156 /nfs/dbraw/zinc/32/21/56/609322156.db2.gz FVRSIHODOSIERN-DGCLKSJQSA-N -1 1 361.406 2.566 20 5 FFBDMM CCC(CC)[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000825106538 609322158 /nfs/dbraw/zinc/32/21/58/609322158.db2.gz FVRSIHODOSIERN-DGCLKSJQSA-N -1 1 361.406 2.566 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCC1 ZINC000157697089 728875503 /nfs/dbraw/zinc/87/55/03/728875503.db2.gz FQUGYVXLTHILBA-MRVPVSSYSA-N -1 1 363.233 2.824 20 5 FFBDMM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158136267 728882792 /nfs/dbraw/zinc/88/27/92/728882792.db2.gz FEYUGKSDHWATRE-RKDXNWHRSA-N -1 1 362.454 2.508 20 5 FFBDMM Cn1c(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]c1=S ZINC000067050973 728180103 /nfs/dbraw/zinc/18/01/03/728180103.db2.gz FOBCYIWSKRHXSF-UHFFFAOYSA-N -1 1 363.424 2.573 20 5 FFBDMM Cc1cnccc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000107038633 728514951 /nfs/dbraw/zinc/51/49/51/728514951.db2.gz SYYRTMPRYKBGCV-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000118438776 728582575 /nfs/dbraw/zinc/58/25/75/728582575.db2.gz OGLILSKODOSFSW-XHDPSFHLSA-N -1 1 374.434 2.854 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000123167880 728656021 /nfs/dbraw/zinc/65/60/21/728656021.db2.gz ZUEYUGLSRYLDTA-CQSZACIVSA-N -1 1 370.814 2.650 20 5 FFBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000129560511 728712110 /nfs/dbraw/zinc/71/21/10/728712110.db2.gz BFTNBAWHOUYBEQ-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000131960448 728723364 /nfs/dbraw/zinc/72/33/64/728723364.db2.gz WJFISEWNFBCWRK-CYBMUJFWSA-N -1 1 366.370 2.708 20 5 FFBDMM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000226236537 729548115 /nfs/dbraw/zinc/54/81/15/729548115.db2.gz FQBHLDYGIDYTIG-MRVPVSSYSA-N -1 1 363.233 2.682 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CSC2)c(Cl)cc1Cl ZINC000882405105 733222260 /nfs/dbraw/zinc/22/22/60/733222260.db2.gz LMNGYWLHZJVYRC-UHFFFAOYSA-N -1 1 357.240 2.543 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000784217869 738870260 /nfs/dbraw/zinc/87/02/60/738870260.db2.gz VLURDMKMCMUGOQ-JTQLQIEISA-N -1 1 365.363 2.622 20 5 FFBDMM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742276610 735218009 /nfs/dbraw/zinc/21/80/09/735218009.db2.gz CEPOCKDZRCCSOO-SNVBAGLBSA-N -1 1 355.803 2.553 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000747596042 735571906 /nfs/dbraw/zinc/57/19/06/735571906.db2.gz VRKUTJIPMRYIDR-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Oc2ccc(C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000755250452 736244442 /nfs/dbraw/zinc/24/44/42/736244442.db2.gz HSFLBRHGODLWFQ-UHFFFAOYSA-N -1 1 363.395 2.967 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000760324161 736629413 /nfs/dbraw/zinc/62/94/13/736629413.db2.gz VIXGZIZUOCLEKQ-UHFFFAOYSA-N -1 1 356.791 2.958 20 5 FFBDMM CCOc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OC ZINC000768832698 737463531 /nfs/dbraw/zinc/46/35/31/737463531.db2.gz KWCASJCTMGOBAX-UHFFFAOYSA-N -1 1 372.424 2.542 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000800051955 740478706 /nfs/dbraw/zinc/47/87/06/740478706.db2.gz BJPJZSCPWRDBDO-UHFFFAOYSA-N -1 1 369.330 2.892 20 5 FFBDMM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809839986 741352353 /nfs/dbraw/zinc/35/23/53/741352353.db2.gz NMAJZJJGEMELCE-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000809841192 741352639 /nfs/dbraw/zinc/35/26/39/741352639.db2.gz ZLFFTAFWNFNUCB-CQSZACIVSA-N -1 1 370.452 2.694 20 5 FFBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000817881775 742220567 /nfs/dbraw/zinc/22/05/67/742220567.db2.gz OGNCDDDPEJODQI-VHSXEESVSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2nccn21 ZINC000832421068 745695984 /nfs/dbraw/zinc/69/59/84/745695984.db2.gz WFVVZHWOQYLJED-XCBNKYQSSA-N -1 1 374.781 2.568 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848466792 748934382 /nfs/dbraw/zinc/93/43/82/748934382.db2.gz UELSDVLFKDMNOG-ZFWWWQNUSA-N -1 1 374.846 2.874 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000848509860 748945883 /nfs/dbraw/zinc/94/58/83/748945883.db2.gz PAYJMUSLJGOFTF-AAEUAGOBSA-N -1 1 362.835 2.874 20 5 FFBDMM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000851822207 749689061 /nfs/dbraw/zinc/68/90/61/749689061.db2.gz KDFPNINJGSQQKT-GJZGRUSLSA-N -1 1 370.452 2.693 20 5 FFBDMM Cc1cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000853637616 750123229 /nfs/dbraw/zinc/12/32/29/750123229.db2.gz UVUOEGPSLWZKPT-SECBINFHSA-N -1 1 351.350 2.860 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1c[nH]c2ccccc12 ZINC000823624791 946458546 /nfs/dbraw/zinc/45/85/46/946458546.db2.gz JOSOPKOLENYKSY-UHFFFAOYSA-N -1 1 364.369 2.696 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1c[nH]c2ccccc12 ZINC000823624791 946458553 /nfs/dbraw/zinc/45/85/53/946458553.db2.gz JOSOPKOLENYKSY-UHFFFAOYSA-N -1 1 364.369 2.696 20 5 FFBDMM Cc1sc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] ZINC000103201768 969935610 /nfs/dbraw/zinc/93/56/10/969935610.db2.gz JLNHXYPSSADGLM-UHFFFAOYSA-N -1 1 374.338 2.910 20 5 FFBDMM CC[C@@](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298812 980421323 /nfs/dbraw/zinc/42/13/23/980421323.db2.gz DLPJVCFDHGAZIM-IBGZPJMESA-N -1 1 372.377 2.861 20 5 FFBDMM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593232111 994382172 /nfs/dbraw/zinc/38/21/72/994382172.db2.gz UBRBRYYYRDHYGB-LBPRGKRZSA-N -1 1 357.366 2.607 20 5 FFBDMM COc1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1F ZINC000766215816 999534854 /nfs/dbraw/zinc/53/48/54/999534854.db2.gz NXWMGDNGRYQZKH-UHFFFAOYSA-N -1 1 366.257 2.713 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1nn(-c2ccccc2)cc1[O-] ZINC000801203160 1018734363 /nfs/dbraw/zinc/73/43/63/1018734363.db2.gz OGMAKZYGHFMZQV-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071808 1019475084 /nfs/dbraw/zinc/47/50/84/1019475084.db2.gz LMUBXCAOHFKOMT-INIZCTEOSA-N -1 1 374.324 2.792 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000780072320 1019492338 /nfs/dbraw/zinc/49/23/38/1019492338.db2.gz PFJPWXSGXXKHCE-UHFFFAOYSA-N -1 1 366.370 2.857 20 5 FFBDMM Cc1ccccc1C[C@H](C)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074675 1019518043 /nfs/dbraw/zinc/51/80/43/1019518043.db2.gz HPBKWUWFVUKKJD-ZDUSSCGKSA-N -1 1 372.377 2.513 20 5 FFBDMM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077315 1019636976 /nfs/dbraw/zinc/63/69/76/1019636976.db2.gz WWXHTJLDMLDBAM-LLVKDONJSA-N -1 1 374.349 2.801 20 5 FFBDMM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077332 1019637941 /nfs/dbraw/zinc/63/79/41/1019637941.db2.gz WWXHTJLDMLDBAM-NSHDSACASA-N -1 1 374.349 2.801 20 5 FFBDMM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 ZINC000777972612 1020357507 /nfs/dbraw/zinc/35/75/07/1020357507.db2.gz SVZVOIGWXFAQOW-UHFFFAOYSA-N -1 1 367.283 2.581 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000778899247 1022499370 /nfs/dbraw/zinc/49/93/70/1022499370.db2.gz JRNTXTDUMKOPOL-UHFFFAOYSA-N -1 1 373.317 2.631 20 5 FFBDMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc(Br)ccc1[O-] ZINC001154597251 1028369391 /nfs/dbraw/zinc/36/93/91/1028369391.db2.gz BWCIRMVSJVAAMQ-UHFFFAOYSA-N -1 1 370.134 2.778 20 5 FFBDMM O=C([N-]CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(F)(F)F ZINC001156206331 1029088349 /nfs/dbraw/zinc/08/83/49/1029088349.db2.gz XSSOABHPUFGJKW-UHFFFAOYSA-N -1 1 354.288 2.747 20 5 FFBDMM O=[N+]([O-])c1c[nH]c2ccc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)nc21 ZINC001157156555 1029484465 /nfs/dbraw/zinc/48/44/65/1029484465.db2.gz DLXBHNFYPQUTMS-UHFFFAOYSA-N -1 1 374.293 2.556 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000833909040 1035286442 /nfs/dbraw/zinc/28/64/42/1035286442.db2.gz RNHXZILWDPYQSN-LBPRGKRZSA-N -1 1 372.337 2.623 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC12CCC2 ZINC000721261812 1035682581 /nfs/dbraw/zinc/68/25/81/1035682581.db2.gz JCISCDDGADCTNI-LLVKDONJSA-N -1 1 361.217 2.578 20 5 FFBDMM Cc1nc(O[C@H]2Cc3cccc(Br)c3C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377968 1036640170 /nfs/dbraw/zinc/64/01/70/1036640170.db2.gz DZJZWKQUJWZYGK-VIFPVBQESA-N -1 1 366.171 2.708 20 5 FFBDMM Cc1cc([O-])c(O[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229749561 1036868235 /nfs/dbraw/zinc/86/82/35/1036868235.db2.gz DLVQESBUIHBCRR-LBPRGKRZSA-N -1 1 368.386 2.624 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3CCn4ccnc43)c12 ZINC001234120045 1036926480 /nfs/dbraw/zinc/92/64/80/1036926480.db2.gz RMYWYXNJNWVPEJ-GFCCVEGCSA-N -1 1 366.329 2.783 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3CCOC[C@@H]3F)c12 ZINC001234128278 1036930873 /nfs/dbraw/zinc/93/08/73/1036930873.db2.gz KZCDEHZRYDFVRL-CABZTGNLSA-N -1 1 362.309 2.569 20 5 FFBDMM Cc1ccc(CNC(=O)NCCc2c(F)cc([O-])cc2F)cc1[N+](=O)[O-] ZINC001234582519 1037099966 /nfs/dbraw/zinc/09/99/66/1037099966.db2.gz PEEAHQDUCXKBOZ-UHFFFAOYSA-N -1 1 365.336 2.929 20 5 FFBDMM O=C1CCCC[C@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751239 1037167318 /nfs/dbraw/zinc/16/73/18/1037167318.db2.gz VGIYLKHMZRYZLR-CQSZACIVSA-N -1 1 356.330 2.954 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CCCOC4)cc3c(=O)c12 ZINC001234802415 1037185165 /nfs/dbraw/zinc/18/51/65/1037185165.db2.gz XWGMBMDQISJZLY-NSHDSACASA-N -1 1 358.346 2.924 20 5 FFBDMM CCOC(=O)[C@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001234874542 1037217557 /nfs/dbraw/zinc/21/75/57/1037217557.db2.gz KWBBDPVLWYWMKJ-LLVKDONJSA-N -1 1 360.160 2.783 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCC23CN(C(=O)OC(C)(C)C)C3)n1 ZINC001231259759 1037513900 /nfs/dbraw/zinc/51/39/00/1037513900.db2.gz PNPBHDJEKQSJIH-LBPRGKRZSA-N -1 1 365.386 2.782 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C[C@H](N(C)C(=O)OC(C)(C)C)C2)n1 ZINC001231259122 1037514123 /nfs/dbraw/zinc/51/41/23/1037514123.db2.gz GKEJUDHZCCYAQO-XYPYZODXSA-N -1 1 353.375 2.781 20 5 FFBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(F)c(N4CCOCC4)cc3[nH]2)c1 ZINC001251389538 1039107400 /nfs/dbraw/zinc/10/74/00/1039107400.db2.gz OCZCZRKCMQPSPR-UHFFFAOYSA-N -1 1 358.329 2.819 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCSC2)cc1Cl ZINC001309765548 1043514864 /nfs/dbraw/zinc/51/48/64/1043514864.db2.gz QSWUITDZUJDTOH-QMMMGPOBSA-N -1 1 368.839 2.809 20 5 FFBDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])cc1O)c1ccc([N+](=O)[O-])cc1F ZINC001320099718 1045348788 /nfs/dbraw/zinc/34/87/88/1045348788.db2.gz IBQLFRUYPFGUKW-VIFPVBQESA-N -1 1 363.297 2.675 20 5 FFBDMM O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1O ZINC001320696398 1045451168 /nfs/dbraw/zinc/45/11/68/1045451168.db2.gz JOZQEYZOAHIFSL-UHFFFAOYSA-N -1 1 367.260 2.524 20 5 FFBDMM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001475421418 1049359200 /nfs/dbraw/zinc/35/92/00/1049359200.db2.gz YDJFRMBPEQIBFC-MRVPVSSYSA-N -1 1 359.404 2.792 20 5 FFBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC001475151197 1060967796 /nfs/dbraw/zinc/96/77/96/1060967796.db2.gz BJQDMOJVJLHEOL-KMUNFCNLSA-N -1 1 374.434 2.852 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])s1 ZINC001464030904 1062389831 /nfs/dbraw/zinc/38/98/31/1062389831.db2.gz YGXUZXAYDKWZPK-GHMZBOCLSA-N -1 1 356.828 2.948 20 5 FFBDMM C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC001575137446 1078110684 /nfs/dbraw/zinc/11/06/84/1078110684.db2.gz ZIGDZLBQGLDDPI-LBPRGKRZSA-N -1 1 365.397 2.638 20 5 FFBDMM C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC001575137446 1078110687 /nfs/dbraw/zinc/11/06/87/1078110687.db2.gz ZIGDZLBQGLDDPI-LBPRGKRZSA-N -1 1 365.397 2.638 20 5 FFBDMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001474926595 1065648784 /nfs/dbraw/zinc/64/87/84/1065648784.db2.gz HTOXDUNUYZMRCX-VIFPVBQESA-N -1 1 359.404 2.847 20 5 FFBDMM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335533 1078465591 /nfs/dbraw/zinc/46/55/91/1078465591.db2.gz RWNYUGBIOFYBIK-WDEREUQCSA-N -1 1 350.404 2.596 20 5 FFBDMM CCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCC2 ZINC001578335533 1078465596 /nfs/dbraw/zinc/46/55/96/1078465596.db2.gz RWNYUGBIOFYBIK-WDEREUQCSA-N -1 1 350.404 2.596 20 5 FFBDMM COCC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccc(C)o1 ZINC001579778301 1078681480 /nfs/dbraw/zinc/68/14/80/1078681480.db2.gz VPJXGWKZINZROM-VIFPVBQESA-N -1 1 364.387 2.928 20 5 FFBDMM COCC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccc(C)o1 ZINC001579778301 1078681486 /nfs/dbraw/zinc/68/14/86/1078681486.db2.gz VPJXGWKZINZROM-VIFPVBQESA-N -1 1 364.387 2.928 20 5 FFBDMM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1csc(-c2nn[n-]n2)c1 ZINC001582653740 1079091984 /nfs/dbraw/zinc/09/19/84/1079091984.db2.gz WCEZMCKVTOKJAJ-UHFFFAOYSA-N -1 1 367.350 2.637 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)cc1F ZINC001561134520 1076337731 /nfs/dbraw/zinc/33/77/31/1076337731.db2.gz OTSZLSCDNKKNBK-ABAIWWIYSA-N -1 1 374.434 2.916 20 5 FFBDMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001561259043 1076353637 /nfs/dbraw/zinc/35/36/37/1076353637.db2.gz OKWCEUDOYZMSTC-MNOVXSKESA-N -1 1 362.448 2.995 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001561731899 1076414449 /nfs/dbraw/zinc/41/44/49/1076414449.db2.gz VQAAWQKUDZPYDA-UHFFFAOYSA-N -1 1 372.491 2.942 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCS1 ZINC001561986460 1076460507 /nfs/dbraw/zinc/46/05/07/1076460507.db2.gz XZNJLSVOIWZRAO-SFYZADRCSA-N -1 1 368.839 2.950 20 5 FFBDMM CC(C)Oc1ncccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589759700 1080714840 /nfs/dbraw/zinc/71/48/40/1080714840.db2.gz USLZDMRVKJGPPT-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM C[C@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801612 1080757040 /nfs/dbraw/zinc/75/70/40/1080757040.db2.gz OXIJDNNSDCLVCS-VXNVDRBHSA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@H](C[C@@H](O)c1cccs1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801612 1080757048 /nfs/dbraw/zinc/75/70/48/1080757048.db2.gz OXIJDNNSDCLVCS-VXNVDRBHSA-N -1 1 366.428 2.822 20 5 FFBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589980256 1080919161 /nfs/dbraw/zinc/91/91/61/1080919161.db2.gz JUVQYCPGJCKFRL-LURJTMIESA-N -1 1 372.370 2.591 20 5 FFBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589980256 1080919167 /nfs/dbraw/zinc/91/91/67/1080919167.db2.gz JUVQYCPGJCKFRL-LURJTMIESA-N -1 1 372.370 2.591 20 5 FFBDMM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001589990499 1080925527 /nfs/dbraw/zinc/92/55/27/1080925527.db2.gz JUHGMVQHXAEBDA-INIZCTEOSA-N -1 1 374.788 2.748 20 5 FFBDMM C[C@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001589991532 1080926328 /nfs/dbraw/zinc/92/63/28/1080926328.db2.gz RVNWZQZMXYSBLE-INIZCTEOSA-N -1 1 374.788 2.748 20 5 FFBDMM C[C@]1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590153318 1081054581 /nfs/dbraw/zinc/05/45/81/1081054581.db2.gz LWANYBRSKODXTB-MRXNPFEDSA-N -1 1 372.410 2.588 20 5 FFBDMM C[C@]1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590153318 1081054589 /nfs/dbraw/zinc/05/45/89/1081054589.db2.gz LWANYBRSKODXTB-MRXNPFEDSA-N -1 1 372.410 2.588 20 5 FFBDMM CCn1nc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000273188592 252244650 /nfs/dbraw/zinc/24/46/50/252244650.db2.gz INLZSCKVXDQTSR-UHFFFAOYSA-N -1 1 358.807 2.882 20 5 FFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCO1 ZINC000290865640 257361975 /nfs/dbraw/zinc/36/19/75/257361975.db2.gz XQHPOPQAXZYOAL-MRVPVSSYSA-N -1 1 366.798 2.623 20 5 FFBDMM CCc1cc(=O)[n-]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000008025737 506614096 /nfs/dbraw/zinc/61/40/96/506614096.db2.gz LYPKTNXIIKRANN-UHFFFAOYSA-N -1 1 359.367 2.583 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000028082201 507707570 /nfs/dbraw/zinc/70/75/70/507707570.db2.gz HRECTQLKPDNAFH-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM COc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153188337 508557299 /nfs/dbraw/zinc/55/72/99/508557299.db2.gz TYXJQDJEYRXXCD-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000154303719 508755951 /nfs/dbraw/zinc/75/59/51/508755951.db2.gz ONZNPHQISAHIEN-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000126836571 509135745 /nfs/dbraw/zinc/13/57/45/509135745.db2.gz HIYHZTKYVFRDEP-UHFFFAOYSA-N -1 1 366.399 2.785 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000126835819 509135977 /nfs/dbraw/zinc/13/59/77/509135977.db2.gz BMJMQHBZLBTRLH-UHFFFAOYSA-N -1 1 366.399 2.785 20 5 FFBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000191890589 509232530 /nfs/dbraw/zinc/23/25/30/509232530.db2.gz SWTHIEJWCKRKJS-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185910986 509421060 /nfs/dbraw/zinc/42/10/60/509421060.db2.gz QZDCKEPYXOWMEW-OCCSQVGLSA-N -1 1 363.757 2.609 20 5 FFBDMM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189163281 509444139 /nfs/dbraw/zinc/44/41/39/509444139.db2.gz HLWISVKHAXLSCM-SECBINFHSA-N -1 1 371.802 2.691 20 5 FFBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000173354224 509548876 /nfs/dbraw/zinc/54/88/76/509548876.db2.gz ZLMQAKLOFSUZMG-CYBMUJFWSA-N -1 1 368.411 2.725 20 5 FFBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000173356016 509549819 /nfs/dbraw/zinc/54/98/19/509549819.db2.gz RMJMGQUFYLLKDB-AWEZNQCLSA-N -1 1 368.411 2.725 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCCO ZINC000192803337 509652430 /nfs/dbraw/zinc/65/24/30/509652430.db2.gz UYVCIEZTBWPZFK-UHFFFAOYSA-N -1 1 365.411 2.580 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccc(F)cc1 ZINC000173735850 509746412 /nfs/dbraw/zinc/74/64/12/509746412.db2.gz FSNYNPIVPFTGIB-SECBINFHSA-N -1 1 360.388 2.541 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000193337890 509872132 /nfs/dbraw/zinc/87/21/32/509872132.db2.gz XRIDQKNIHOPGDQ-UHFFFAOYSA-N -1 1 368.349 2.856 20 5 FFBDMM O=C(NCCCSc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186872780 509922652 /nfs/dbraw/zinc/92/26/52/509922652.db2.gz VYIAGBMZQMBECU-UHFFFAOYSA-N -1 1 351.359 2.747 20 5 FFBDMM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000190253682 510029485 /nfs/dbraw/zinc/02/94/85/510029485.db2.gz WKMQESGGMJWUPC-UHFFFAOYSA-N -1 1 356.787 2.735 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000193749015 510047724 /nfs/dbraw/zinc/04/77/24/510047724.db2.gz ACCBLUFUZAYLFV-LLVKDONJSA-N -1 1 363.757 2.642 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000187209831 510125374 /nfs/dbraw/zinc/12/53/74/510125374.db2.gz OIISLBAPZKXFBQ-CYBMUJFWSA-N -1 1 363.757 2.642 20 5 FFBDMM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171472886 510179488 /nfs/dbraw/zinc/17/94/88/510179488.db2.gz KVXDXUMPRYEZNL-VIFPVBQESA-N -1 1 358.379 2.666 20 5 FFBDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194634356 510455781 /nfs/dbraw/zinc/45/57/81/510455781.db2.gz SVSSXVWDDBSRDD-HSZRJFAPSA-N -1 1 368.436 2.583 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000181839090 510619788 /nfs/dbraw/zinc/61/97/88/510619788.db2.gz BFXQCRZGAHILSL-UHFFFAOYSA-N -1 1 369.381 2.633 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000188413352 510755419 /nfs/dbraw/zinc/75/54/19/510755419.db2.gz CAFARAIFZSAIGI-CQSZACIVSA-N -1 1 363.757 2.563 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283001458 511194910 /nfs/dbraw/zinc/19/49/10/511194910.db2.gz KTJGHGAXCMLRNO-LLVKDONJSA-N -1 1 359.304 2.890 20 5 FFBDMM O=C(NCc1ccc(-c2ccncc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365654794 511584170 /nfs/dbraw/zinc/58/41/70/511584170.db2.gz DJGRESSYAYMPTM-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000292711677 511694208 /nfs/dbraw/zinc/69/42/08/511694208.db2.gz FBXUVXGLCHWJJC-UHFFFAOYSA-N -1 1 373.818 2.894 20 5 FFBDMM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000320487083 511813982 /nfs/dbraw/zinc/81/39/82/511813982.db2.gz UGOJLCFGMBNIFE-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000328170575 511885872 /nfs/dbraw/zinc/88/58/72/511885872.db2.gz TXXMVMYTQRLFMZ-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000368033485 512772422 /nfs/dbraw/zinc/77/24/22/512772422.db2.gz AEXDYUUVENUBCQ-NSHDSACASA-N -1 1 371.415 2.855 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(F)c2OC)cc([N+](=O)[O-])c1 ZINC000446027028 513166686 /nfs/dbraw/zinc/16/66/86/513166686.db2.gz CBPODACEBJZIIW-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000446761879 513333674 /nfs/dbraw/zinc/33/36/74/513333674.db2.gz MMJPSQVSXYAXND-UHFFFAOYSA-N -1 1 358.322 2.824 20 5 FFBDMM CN(C)[C@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cccc21 ZINC000447723966 513552406 /nfs/dbraw/zinc/55/24/06/513552406.db2.gz SHLQESZPFQYHFX-AWEZNQCLSA-N -1 1 357.366 2.938 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431626386 513949593 /nfs/dbraw/zinc/94/95/93/513949593.db2.gz VHKUIJYTLXCOAG-AWEZNQCLSA-N -1 1 372.349 2.888 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451825531 514006280 /nfs/dbraw/zinc/00/62/80/514006280.db2.gz QTVJBVZQQYVIIW-MRVPVSSYSA-N -1 1 354.762 2.962 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ccncc2)n1 ZINC000437317565 514139780 /nfs/dbraw/zinc/13/97/80/514139780.db2.gz UEHZHOHIBQYYTD-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CC[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000444999831 514385791 /nfs/dbraw/zinc/38/57/91/514385791.db2.gz WVXKVDVTOHQWQY-LBPRGKRZSA-N -1 1 365.773 2.936 20 5 FFBDMM Cc1cc(Cl)ccc1OCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445193329 514439724 /nfs/dbraw/zinc/43/97/24/514439724.db2.gz NOFKHZYBBBSPTR-UHFFFAOYSA-N -1 1 365.773 2.856 20 5 FFBDMM O=C(C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc([O-])cc1 ZINC000452856752 514520409 /nfs/dbraw/zinc/52/04/09/514520409.db2.gz QFVDZZDOBLGXLO-OAHLLOKOSA-N -1 1 354.362 2.889 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000466567341 514693862 /nfs/dbraw/zinc/69/38/62/514693862.db2.gz NWVQBIWODCMHCQ-GJZGRUSLSA-N -1 1 374.846 2.732 20 5 FFBDMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000466890846 514817030 /nfs/dbraw/zinc/81/70/30/514817030.db2.gz FNTFGEADRCMLSF-RISCZKNCSA-N -1 1 362.835 2.730 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000476395138 515032829 /nfs/dbraw/zinc/03/28/29/515032829.db2.gz WGJOTWKYAPTWKQ-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1CC(C)C ZINC000499291804 515272282 /nfs/dbraw/zinc/27/22/82/515272282.db2.gz PSDZDAPDRBAKFU-UHFFFAOYSA-N -1 1 368.415 2.571 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000510132038 515445274 /nfs/dbraw/zinc/44/52/74/515445274.db2.gz HFDBPCKJASPLSJ-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000510583215 515597191 /nfs/dbraw/zinc/59/71/91/515597191.db2.gz HEHUXEGDRFIYLL-LBPRGKRZSA-N -1 1 364.851 2.978 20 5 FFBDMM CN(C)[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000486979653 515706536 /nfs/dbraw/zinc/70/65/36/515706536.db2.gz JOSREJXAFDIQFR-INIZCTEOSA-N -1 1 371.372 2.921 20 5 FFBDMM O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000478186203 515729690 /nfs/dbraw/zinc/72/96/90/515729690.db2.gz STWKPIYQXOLVGQ-NWDGAFQWSA-N -1 1 365.292 2.583 20 5 FFBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000474433207 516044575 /nfs/dbraw/zinc/04/45/75/516044575.db2.gz UGHCGLUUDYIYTF-UHFFFAOYSA-N -1 1 356.791 2.958 20 5 FFBDMM COc1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000479152641 516081083 /nfs/dbraw/zinc/08/10/83/516081083.db2.gz GXFXRUIRCHGJIG-GFCCVEGCSA-N -1 1 368.333 2.613 20 5 FFBDMM Cc1ccc2c([n-]cc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c2=O)[nH+]1 ZINC000507805354 516304302 /nfs/dbraw/zinc/30/43/02/516304302.db2.gz VDXRGGOHDLKMNO-UHFFFAOYSA-N -1 1 352.350 2.525 20 5 FFBDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000507805354 516304308 /nfs/dbraw/zinc/30/43/08/516304308.db2.gz VDXRGGOHDLKMNO-UHFFFAOYSA-N -1 1 352.350 2.525 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531451923 516473666 /nfs/dbraw/zinc/47/36/66/516473666.db2.gz OUQCZLOKXVDMPL-UWVGGRQHSA-N -1 1 367.349 2.637 20 5 FFBDMM O=C([O-])[C@]1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCSC1 ZINC000551055627 516543875 /nfs/dbraw/zinc/54/38/75/516543875.db2.gz RZMAHKKIMXPRFS-HNNXBMFYSA-N -1 1 365.436 2.768 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccon1 ZINC000540470959 516567752 /nfs/dbraw/zinc/56/77/52/516567752.db2.gz VQWOLWKKOZYCPE-ZETCQYMHSA-N -1 1 365.289 2.641 20 5 FFBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561560011 516653733 /nfs/dbraw/zinc/65/37/33/516653733.db2.gz YTSIGWYOJKJNQB-WPPNPWJKSA-N -1 1 358.372 2.596 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000525174651 516944296 /nfs/dbraw/zinc/94/42/96/516944296.db2.gz KKIJTUNDHOQNJT-UHFFFAOYSA-N -1 1 355.803 2.554 20 5 FFBDMM COc1cc(C(=O)Nc2nc(C)ccc2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000541532513 517100928 /nfs/dbraw/zinc/10/09/28/517100928.db2.gz CKJXSGOOGUHEOJ-UHFFFAOYSA-N -1 1 369.280 2.866 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000517274631 518103771 /nfs/dbraw/zinc/10/37/71/518103771.db2.gz CPOUCPBMAJVRFL-GFCCVEGCSA-N -1 1 352.334 2.994 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000570326946 518551290 /nfs/dbraw/zinc/55/12/90/518551290.db2.gz BHUXEXCDDAZWGR-UHFFFAOYSA-N -1 1 366.395 2.975 20 5 FFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)CCC(=O)[O-])cc1OC ZINC000573506395 518699194 /nfs/dbraw/zinc/69/91/94/518699194.db2.gz JMTPOKKDKRCQOD-GFCCVEGCSA-N -1 1 354.403 2.935 20 5 FFBDMM COc1cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000567898233 518774258 /nfs/dbraw/zinc/77/42/58/518774258.db2.gz GHQXTHQXDRZOQL-KOLCDFICSA-N -1 1 374.340 2.747 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000565893147 519185410 /nfs/dbraw/zinc/18/54/10/519185410.db2.gz XJSBNDQKCWXYGD-UHFFFAOYSA-N -1 1 364.305 2.700 20 5 FFBDMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000590444741 519234203 /nfs/dbraw/zinc/23/42/03/519234203.db2.gz GTFHBSCRGDTTMN-GMSGAONNSA-N -1 1 350.762 2.982 20 5 FFBDMM COc1ccc(OCCCS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000608954242 520166931 /nfs/dbraw/zinc/16/69/31/520166931.db2.gz FRIWVSMCQPPCNG-UHFFFAOYSA-N -1 1 366.395 2.814 20 5 FFBDMM O=C([O-])CCN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609092120 520187208 /nfs/dbraw/zinc/18/72/08/520187208.db2.gz BJTQCVDLAPIJDI-UHFFFAOYSA-N -1 1 368.349 2.588 20 5 FFBDMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604521821 520588134 /nfs/dbraw/zinc/58/81/34/520588134.db2.gz AAGMIVVUYVMVHH-PBHICJAKSA-N -1 1 371.393 2.935 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000610499747 520716647 /nfs/dbraw/zinc/71/66/47/520716647.db2.gz YVRPHEMATXKWSK-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610638704 520775008 /nfs/dbraw/zinc/77/50/08/520775008.db2.gz BGJBFZCNXNXWSN-OCAPTIKFSA-N -1 1 373.209 2.508 20 5 FFBDMM Cc1ccc(CN2CC[C@H](NC(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000601881449 521004635 /nfs/dbraw/zinc/00/46/35/521004635.db2.gz NESRCWRAGZXLIL-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM Cc1[nH][nH]c(=NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1-c1cccc(Cl)c1 ZINC000618379481 521042684 /nfs/dbraw/zinc/04/26/84/521042684.db2.gz NQOZLZOKNXINCX-UHFFFAOYSA-N -1 1 373.756 2.722 20 5 FFBDMM C[C@@H]1CN(Cc2ccccc2)C[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)O1 ZINC000596613499 521165925 /nfs/dbraw/zinc/16/59/25/521165925.db2.gz DFDYOFAEKAUFLT-DOMZBBRYSA-N -1 1 369.381 2.935 20 5 FFBDMM COc1cc(CN2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000593734029 521182104 /nfs/dbraw/zinc/18/21/04/521182104.db2.gz RMKLJPMEAZYOTM-UHFFFAOYSA-N -1 1 374.340 2.544 20 5 FFBDMM O=C([O-])c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000833313259 601641109 /nfs/dbraw/zinc/64/11/09/601641109.db2.gz QSMIFIADHWUYAH-LBPRGKRZSA-N -1 1 360.345 2.514 20 5 FFBDMM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262174821 602053461 /nfs/dbraw/zinc/05/34/61/602053461.db2.gz ODWNPDMCLDZDGY-AAEUAGOBSA-N -1 1 360.370 2.625 20 5 FFBDMM O=C([O-])N1CCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740522029 602877428 /nfs/dbraw/zinc/87/74/28/602877428.db2.gz XQYSLQJNTRQZIX-CQSZACIVSA-N -1 1 362.411 2.950 20 5 FFBDMM Cc1nn(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830870207 604750124 /nfs/dbraw/zinc/75/01/24/604750124.db2.gz GICVGKODWSNPIY-WCQYABFASA-N -1 1 361.402 2.579 20 5 FFBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000833420035 604863834 /nfs/dbraw/zinc/86/38/34/604863834.db2.gz NXSMEVPRLWCEFT-CQSZACIVSA-N -1 1 373.413 2.634 20 5 FFBDMM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410195 604945244 /nfs/dbraw/zinc/94/52/44/604945244.db2.gz AYQSHCANSMZISR-STQMWFEESA-N -1 1 363.414 2.745 20 5 FFBDMM Cc1nn(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920028 605629945 /nfs/dbraw/zinc/62/99/45/605629945.db2.gz DBKUUSSCFKKVNC-YPMHNXCESA-N -1 1 361.402 2.579 20 5 FFBDMM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1F ZINC000821794747 606644764 /nfs/dbraw/zinc/64/47/64/606644764.db2.gz LZVPQDAYTNENID-UHFFFAOYSA-N -1 1 358.333 2.559 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(Cl)cc2)CC1 ZINC000823619811 606707466 /nfs/dbraw/zinc/70/74/66/606707466.db2.gz BGPFOHXMXCYNCJ-UHFFFAOYSA-N -1 1 371.788 2.967 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(Cl)cc2)CC1 ZINC000823619811 606707468 /nfs/dbraw/zinc/70/74/68/606707468.db2.gz BGPFOHXMXCYNCJ-UHFFFAOYSA-N -1 1 371.788 2.967 20 5 FFBDMM C[C@@H](OCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820518440 607164481 /nfs/dbraw/zinc/16/44/81/607164481.db2.gz DRLWPWCEGRVPEJ-GFCCVEGCSA-N -1 1 369.385 2.750 20 5 FFBDMM C[C@@H](OCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820518440 607164483 /nfs/dbraw/zinc/16/44/83/607164483.db2.gz DRLWPWCEGRVPEJ-GFCCVEGCSA-N -1 1 369.385 2.750 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620672 607166498 /nfs/dbraw/zinc/16/64/98/607166498.db2.gz ODLCYHXEPQBWIC-SFYZADRCSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620672 607166499 /nfs/dbraw/zinc/16/64/99/607166499.db2.gz ODLCYHXEPQBWIC-SFYZADRCSA-N -1 1 357.296 2.703 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000054294312 728088139 /nfs/dbraw/zinc/08/81/39/728088139.db2.gz YYCXQTINIDZBPB-UHFFFAOYSA-N -1 1 360.347 2.810 20 5 FFBDMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])OC ZINC000746701815 735506315 /nfs/dbraw/zinc/50/63/15/735506315.db2.gz JNEXPTRVSXSICB-CYBMUJFWSA-N -1 1 362.423 2.854 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000101570909 728486420 /nfs/dbraw/zinc/48/64/20/728486420.db2.gz XPODFGDABDMOFE-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM Cc1ccccc1OCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104752485 728502880 /nfs/dbraw/zinc/50/28/80/728502880.db2.gz GDOAQSNAHUIORE-UHFFFAOYSA-N -1 1 368.386 2.790 20 5 FFBDMM Cc1cc(F)cc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1[N+](=O)[O-] ZINC000175729934 729100779 /nfs/dbraw/zinc/10/07/79/729100779.db2.gz UMCPYJMODIHSTP-UHFFFAOYSA-N -1 1 370.333 2.837 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000178197525 729156630 /nfs/dbraw/zinc/15/66/30/729156630.db2.gz XMENQRPSFIDMRN-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000702321761 734356174 /nfs/dbraw/zinc/35/61/74/734356174.db2.gz BJJRRWGUCXBUDY-UHFFFAOYSA-N -1 1 361.217 2.746 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000757925535 736436206 /nfs/dbraw/zinc/43/62/06/736436206.db2.gz KQZKFBUXYKBYMM-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM CC1(C)CC2(CC([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CO1 ZINC000908000886 736701334 /nfs/dbraw/zinc/70/13/34/736701334.db2.gz BRRLZFMCJRQGTM-UHFFFAOYSA-N -1 1 374.846 2.874 20 5 FFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1F ZINC000771589187 737739137 /nfs/dbraw/zinc/73/91/37/737739137.db2.gz LCMQROHHQUJFDL-UHFFFAOYSA-N -1 1 352.343 2.860 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCSC2(CCC2)C1 ZINC000921715048 738030214 /nfs/dbraw/zinc/03/02/14/738030214.db2.gz ABSVARNIMFHALW-JTQLQIEISA-N -1 1 360.432 2.831 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccsc2)cc1Cl ZINC000809807944 741345880 /nfs/dbraw/zinc/34/58/80/741345880.db2.gz VNSCHUOEHYSYAN-UHFFFAOYSA-N -1 1 364.807 2.970 20 5 FFBDMM CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809835362 741351493 /nfs/dbraw/zinc/35/14/93/741351493.db2.gz HALNSSBZUHOUJA-NSHDSACASA-N -1 1 368.814 2.727 20 5 FFBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000810111066 741387727 /nfs/dbraw/zinc/38/77/27/741387727.db2.gz YVGDMBIWCSBSHV-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000811680789 741547630 /nfs/dbraw/zinc/54/76/30/741547630.db2.gz QBUOZNNAJHVBMN-UHFFFAOYSA-N -1 1 371.802 2.778 20 5 FFBDMM COc1cc(Br)ccc1OC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000813810271 741764993 /nfs/dbraw/zinc/76/49/93/741764993.db2.gz JNYRQKJNYIFKSP-UHFFFAOYSA-N -1 1 369.127 2.686 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000815032013 741887077 /nfs/dbraw/zinc/88/70/77/741887077.db2.gz NJMDKONGORHPBL-QMMMGPOBSA-N -1 1 368.839 2.951 20 5 FFBDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCO1 ZINC000817145575 742095181 /nfs/dbraw/zinc/09/51/81/742095181.db2.gz JXPFDAHUSHIOHL-RKDXNWHRSA-N -1 1 366.798 2.623 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2ccccc2o1 ZINC000820716997 742539836 /nfs/dbraw/zinc/53/98/36/742539836.db2.gz MAGFRJUOKOPIOG-UHFFFAOYSA-N -1 1 367.770 2.868 20 5 FFBDMM CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC ZINC000832123859 745640436 /nfs/dbraw/zinc/64/04/36/745640436.db2.gz BZYKOVZZHPWWIH-GFCCVEGCSA-N -1 1 371.242 2.995 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc([N+](=O)[O-])c1F ZINC000849311671 749097916 /nfs/dbraw/zinc/09/79/16/749097916.db2.gz OHODNPNJHHPUNP-UHFFFAOYSA-N -1 1 366.370 2.916 20 5 FFBDMM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849440530 749154380 /nfs/dbraw/zinc/15/43/80/749154380.db2.gz QTVALQOYEWYWQS-IINYFYTJSA-N -1 1 350.371 2.741 20 5 FFBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000849460484 749165075 /nfs/dbraw/zinc/16/50/75/749165075.db2.gz LYRCWYFDGUMJRV-RKDXNWHRSA-N -1 1 366.798 2.623 20 5 FFBDMM CCc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[n-]c(=O)c1C ZINC000849921533 749259037 /nfs/dbraw/zinc/25/90/37/749259037.db2.gz OXNZIPYJSZVUOQ-UHFFFAOYSA-N -1 1 366.374 2.831 20 5 FFBDMM CCSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000851820155 749687386 /nfs/dbraw/zinc/68/73/86/749687386.db2.gz RYNRJHYZMZWEQN-UHFFFAOYSA-N -1 1 350.849 2.812 20 5 FFBDMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000053670979 845281426 /nfs/dbraw/zinc/28/14/26/845281426.db2.gz USSYVTKPOXUCGH-LBPRGKRZSA-N -1 1 368.386 2.788 20 5 FFBDMM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc([O-])cc1O ZINC001116007336 1032062181 /nfs/dbraw/zinc/06/21/81/1032062181.db2.gz NEUIXVJZFHOZQO-UHFFFAOYSA-N -1 1 351.698 2.699 20 5 FFBDMM C[C@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000311951440 963523868 /nfs/dbraw/zinc/52/38/68/963523868.db2.gz JTDQXWMXGOMRPX-JSGCOSHPSA-N -1 1 356.382 2.763 20 5 FFBDMM CCS(=O)(=O)c1ccc(O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678548 1013750025 /nfs/dbraw/zinc/75/00/25/1013750025.db2.gz SXBVDPHURMAYGS-UHFFFAOYSA-N -1 1 366.351 2.536 20 5 FFBDMM CC(C)c1cc([C@@H]2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)[nH]n1 ZINC001591931340 976438947 /nfs/dbraw/zinc/43/89/47/976438947.db2.gz OVMWQFNXURURTI-LLVKDONJSA-N -1 1 359.386 2.919 20 5 FFBDMM COc1cc(CN2CC(C(=O)[O-])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263468625 980818171 /nfs/dbraw/zinc/81/81/71/980818171.db2.gz DCEXHTISUIVTNW-UHFFFAOYSA-N -1 1 372.377 2.699 20 5 FFBDMM C[C@@H]1CN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)O1 ZINC001594526660 986058971 /nfs/dbraw/zinc/05/89/71/986058971.db2.gz BOAVDQYKIBINTB-PHIMTYICSA-N -1 1 371.821 2.858 20 5 FFBDMM CCOc1cc(CN2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001597031574 986449908 /nfs/dbraw/zinc/44/99/08/986449908.db2.gz LVGCDFONYBSABH-FIUQPQMISA-N -1 1 364.398 2.589 20 5 FFBDMM C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC001599866827 989279353 /nfs/dbraw/zinc/27/93/53/989279353.db2.gz ZLMCHWBFKDGRGZ-MWLCHTKSSA-N -1 1 357.204 2.900 20 5 FFBDMM CC(C)[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCS1 ZINC001591096710 991692724 /nfs/dbraw/zinc/69/27/24/991692724.db2.gz PWCNGKNEGUOPCZ-HNNXBMFYSA-N -1 1 354.428 2.632 20 5 FFBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001593288240 994653780 /nfs/dbraw/zinc/65/37/80/994653780.db2.gz FURVKJAOEBZYDB-JPQMIFPKSA-N -1 1 362.407 2.881 20 5 FFBDMM COC(=O)[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC001598803733 996163894 /nfs/dbraw/zinc/16/38/94/996163894.db2.gz OCHTWSLROZXQQN-CZUORRHYSA-N -1 1 364.398 2.556 20 5 FFBDMM COC(=O)c1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598931062 997754945 /nfs/dbraw/zinc/75/49/45/997754945.db2.gz WYILOGNSRPCHQB-LLVKDONJSA-N -1 1 358.350 2.930 20 5 FFBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000731413649 997901118 /nfs/dbraw/zinc/90/11/18/997901118.db2.gz KNJXWLABOHPPHC-GFCCVEGCSA-N -1 1 370.365 2.807 20 5 FFBDMM COc1ccc(Cn2ccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC001599579597 998505528 /nfs/dbraw/zinc/50/55/28/998505528.db2.gz DEPOYODBPITJGW-UHFFFAOYSA-N -1 1 369.337 2.685 20 5 FFBDMM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(Cl)ccc1[O-] ZINC000790048780 1002269547 /nfs/dbraw/zinc/26/95/47/1002269547.db2.gz UZXLGXXXTBHGPQ-UHFFFAOYSA-N -1 1 374.740 2.915 20 5 FFBDMM COC(=O)c1nnn(Cc2ccccc2)c1[N-]c1ccccc1[N+](=O)[O-] ZINC001206150196 1032163231 /nfs/dbraw/zinc/16/32/31/1032163231.db2.gz HYNMVDAVJYKWHX-UHFFFAOYSA-N -1 1 353.338 2.765 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178780642 1009139730 /nfs/dbraw/zinc/13/97/30/1009139730.db2.gz GXLIMEIVAIMLPE-UHFFFAOYSA-N -1 1 351.309 2.593 20 5 FFBDMM Nc1cc(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccn1 ZINC001181968471 1010344276 /nfs/dbraw/zinc/34/42/76/1010344276.db2.gz MKEHSEXAIBAZMH-UHFFFAOYSA-N -1 1 364.789 2.684 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000780068658 1019401976 /nfs/dbraw/zinc/40/19/76/1019401976.db2.gz MWQDCRYUOGOULC-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000780071447 1019494294 /nfs/dbraw/zinc/49/42/94/1019494294.db2.gz HLTIXPIDAASVDL-RYUDHWBXSA-N -1 1 370.361 2.824 20 5 FFBDMM O=C(OC[C@H]1CN(C2CCCCC2)C(=O)O1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000828938172 1032916048 /nfs/dbraw/zinc/91/60/48/1032916048.db2.gz IKDSGWBDTMSYKP-OAHLLOKOSA-N -1 1 364.354 2.611 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CCC[NH2+]C[C@H]4F)cc3c([O-])c1-2 ZINC001217950223 1032915105 /nfs/dbraw/zinc/91/51/05/1032915105.db2.gz YGGWTJKGZHETQQ-RISCZKNCSA-N -1 1 359.353 2.826 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001535597946 1069849080 /nfs/dbraw/zinc/84/90/80/1069849080.db2.gz WTCPCYAOACRRQD-KGLIPLIRSA-N -1 1 354.366 2.711 20 5 FFBDMM C[C@@H]1C[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660777 1034355916 /nfs/dbraw/zinc/35/59/16/1034355916.db2.gz GKTIPJQSRYNKBC-GHMZBOCLSA-N -1 1 353.375 2.862 20 5 FFBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663846 1034357306 /nfs/dbraw/zinc/35/73/06/1034357306.db2.gz HSYVTFIXQGHQAF-PWSUYJOCSA-N -1 1 353.375 2.720 20 5 FFBDMM O=c1[n-]cnc(O[C@@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228143116 1035958090 /nfs/dbraw/zinc/95/80/90/1035958090.db2.gz JLUVRRIXHXQMEJ-SNVBAGLBSA-N -1 1 368.143 2.756 20 5 FFBDMM Cc1nc(O[C@@H](C)c2cccc(Br)n2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376305 1036638583 /nfs/dbraw/zinc/63/85/83/1036638583.db2.gz RVOPGLVXEAKYDR-LURJTMIESA-N -1 1 355.148 2.696 20 5 FFBDMM COC(=O)c1cccc2[n-]c(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)nc21 ZINC001234039260 1036884822 /nfs/dbraw/zinc/88/48/22/1036884822.db2.gz LUNYRHGJGIQYOB-ZDUSSCGKSA-N -1 1 353.334 2.804 20 5 FFBDMM COC(=O)c1cccc2nc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[n-]c21 ZINC001234039260 1036884851 /nfs/dbraw/zinc/88/48/51/1036884851.db2.gz LUNYRHGJGIQYOB-ZDUSSCGKSA-N -1 1 353.334 2.804 20 5 FFBDMM CC1=C(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C(=O)O[C@H]1C ZINC001234749333 1037166155 /nfs/dbraw/zinc/16/61/55/1037166155.db2.gz ZHAGTUXUNSTFLL-VIFPVBQESA-N -1 1 354.314 2.956 20 5 FFBDMM CCOC(=O)[C@H]1C[C@@H](Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234873890 1037217238 /nfs/dbraw/zinc/21/72/38/1037217238.db2.gz HAAXNXTWTSZSOG-OTSSQURYSA-N -1 1 360.160 2.783 20 5 FFBDMM COc1ccc([O-])c(S(=O)(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001210269894 1039461440 /nfs/dbraw/zinc/46/14/40/1039461440.db2.gz SLNRITYYZDKZNC-LLVKDONJSA-N -1 1 366.395 2.657 20 5 FFBDMM CC(=O)N1CCC(n2nc(C)cc2Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001210396224 1039522172 /nfs/dbraw/zinc/52/21/72/1039522172.db2.gz OETMGWHEJZAEKT-UHFFFAOYSA-N -1 1 359.386 2.732 20 5 FFBDMM COc1cc([N+](=O)[O-])cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1[O-] ZINC001250818419 1041382970 /nfs/dbraw/zinc/38/29/70/1041382970.db2.gz BMXMURKOBPMZKF-UHFFFAOYSA-N -1 1 370.365 2.689 20 5 FFBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OCC ZINC001309718172 1043494911 /nfs/dbraw/zinc/49/49/11/1043494911.db2.gz VRJAOWXDIMACCT-VIFPVBQESA-N -1 1 368.814 2.871 20 5 FFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001323741311 1045705332 /nfs/dbraw/zinc/70/53/32/1045705332.db2.gz IPQLMLWZECCNLL-UHFFFAOYSA-N -1 1 356.382 2.721 20 5 FFBDMM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC001325204281 1046415322 /nfs/dbraw/zinc/41/53/22/1046415322.db2.gz SAYDPJRUQYYKPN-YUMQZZPRSA-N -1 1 369.226 2.747 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001327402286 1047880501 /nfs/dbraw/zinc/88/05/01/1047880501.db2.gz HNNXOXKMQPAWQR-KXUCPTDWSA-N -1 1 366.773 2.960 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327402285 1047880566 /nfs/dbraw/zinc/88/05/66/1047880566.db2.gz HNNXOXKMQPAWQR-BBBLOLIVSA-N -1 1 366.773 2.960 20 5 FFBDMM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001475421419 1049359077 /nfs/dbraw/zinc/35/90/77/1049359077.db2.gz YDJFRMBPEQIBFC-QMMMGPOBSA-N -1 1 359.404 2.792 20 5 FFBDMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001303201414 1051301302 /nfs/dbraw/zinc/30/13/02/1051301302.db2.gz KRKJWWPGWTUJIJ-UHFFFAOYSA-N -1 1 373.200 2.713 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001309361582 1052605699 /nfs/dbraw/zinc/60/56/99/1052605699.db2.gz PKPAFPBBJYMYML-ZDUSSCGKSA-N -1 1 353.375 2.867 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001339191665 1056186586 /nfs/dbraw/zinc/18/65/86/1056186586.db2.gz IQEIBBTVOQPLIZ-LLVKDONJSA-N -1 1 367.365 2.592 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)cc1F ZINC001475237296 1061012971 /nfs/dbraw/zinc/01/29/71/1061012971.db2.gz NGKGLDYIQZUGOO-LLVKDONJSA-N -1 1 362.423 2.508 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nc(C)n(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC001526688752 1061216311 /nfs/dbraw/zinc/21/63/11/1061216311.db2.gz DXEWFGXFQXPJOO-UHFFFAOYSA-N -1 1 353.338 2.745 20 5 FFBDMM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001533792720 1063407961 /nfs/dbraw/zinc/40/79/61/1063407961.db2.gz GKXIRTBZBAQARW-UHFFFAOYSA-N -1 1 353.309 2.778 20 5 FFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2csnc2OC)cc1OC ZINC001471663302 1064751522 /nfs/dbraw/zinc/75/15/22/1064751522.db2.gz PMNMTBGNLLLRJJ-UHFFFAOYSA-N -1 1 353.356 2.720 20 5 FFBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001474995410 1065667087 /nfs/dbraw/zinc/66/70/87/1065667087.db2.gz LHLHCSVDIWBOSW-UHFFFAOYSA-N -1 1 362.423 2.652 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1Oc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581214023 1078939874 /nfs/dbraw/zinc/93/98/74/1078939874.db2.gz WPENSMBNHJDOGU-UHFFFAOYSA-N -1 1 360.261 2.923 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCCO1 ZINC001561981243 1076459450 /nfs/dbraw/zinc/45/94/50/1076459450.db2.gz ROXFCMJSWJAMFJ-CYBMUJFWSA-N -1 1 366.798 2.625 20 5 FFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C)(C(=O)[O-])CC1 ZINC001573643004 1077761637 /nfs/dbraw/zinc/76/16/37/1077761637.db2.gz MIJDEBAXRDKDDR-LLVKDONJSA-N -1 1 360.370 2.893 20 5 FFBDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000276300875 256088715 /nfs/dbraw/zinc/08/87/15/256088715.db2.gz LJPLBPZQSVLBAS-UHFFFAOYSA-N -1 1 366.395 2.593 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000032087493 506228611 /nfs/dbraw/zinc/22/86/11/506228611.db2.gz MIORXOGHVMFAGI-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1C ZINC000026233505 507569864 /nfs/dbraw/zinc/56/98/64/507569864.db2.gz ZLOLNMPZZNXPDW-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)s1 ZINC000064243228 507787100 /nfs/dbraw/zinc/78/71/00/507787100.db2.gz WWFSDPGDWYRMRX-UHFFFAOYSA-N -1 1 365.436 2.980 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3ccc([O-])cc3)co2)cc1 ZINC000089594874 507849191 /nfs/dbraw/zinc/84/91/91/507849191.db2.gz UNPHELBVNKGYBX-UHFFFAOYSA-N -1 1 360.347 2.929 20 5 FFBDMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000112707631 508213831 /nfs/dbraw/zinc/21/38/31/508213831.db2.gz XMOMGABRVSMXIA-QMMMGPOBSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)s1 ZINC000098117864 508235528 /nfs/dbraw/zinc/23/55/28/508235528.db2.gz RWCINMSYESFMBL-UHFFFAOYSA-N -1 1 367.452 2.604 20 5 FFBDMM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000077617051 508341326 /nfs/dbraw/zinc/34/13/26/508341326.db2.gz VECGGAALUFRCEZ-BXKDBHETSA-N -1 1 354.359 2.929 20 5 FFBDMM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000077617049 508341416 /nfs/dbraw/zinc/34/14/16/508341416.db2.gz VECGGAALUFRCEZ-CABZTGNLSA-N -1 1 354.359 2.929 20 5 FFBDMM CN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000127363129 508438841 /nfs/dbraw/zinc/43/88/41/508438841.db2.gz NOMSVLPYURVMTA-UHFFFAOYSA-N -1 1 372.200 2.792 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000128255763 508569101 /nfs/dbraw/zinc/56/91/01/508569101.db2.gz UAZJHOCRNHTJBJ-LLVKDONJSA-N -1 1 374.378 2.684 20 5 FFBDMM CCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nn[n-]n1 ZINC000136685766 508708670 /nfs/dbraw/zinc/70/86/70/508708670.db2.gz JDKXZILDNLYPNF-NSHDSACASA-N -1 1 373.398 2.503 20 5 FFBDMM CC(C)COCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119516983 508811666 /nfs/dbraw/zinc/81/16/66/508811666.db2.gz VIBSPNHTAIVONT-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000164064383 509458016 /nfs/dbraw/zinc/45/80/16/509458016.db2.gz MGQGHEBFPDOHFO-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000179866957 509653937 /nfs/dbraw/zinc/65/39/37/509653937.db2.gz RKGXDWCNUNOHLZ-RYUDHWBXSA-N -1 1 362.473 2.918 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1 ZINC000183270575 509689735 /nfs/dbraw/zinc/68/97/35/509689735.db2.gz XHFUWRNAMGGPLL-UHFFFAOYSA-N -1 1 371.328 2.704 20 5 FFBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000173813792 509793757 /nfs/dbraw/zinc/79/37/57/509793757.db2.gz QJBGJLWJUDWCKC-UHFFFAOYSA-N -1 1 361.832 2.746 20 5 FFBDMM C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000265032518 509830552 /nfs/dbraw/zinc/83/05/52/509830552.db2.gz WNOGEHNIGZXDAS-SECBINFHSA-N -1 1 351.363 2.943 20 5 FFBDMM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186957117 509973437 /nfs/dbraw/zinc/97/34/37/509973437.db2.gz PLDVDOLNAYFRDT-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000193609913 509988847 /nfs/dbraw/zinc/98/88/47/509988847.db2.gz SBJBJCBSUADWBS-SNVBAGLBSA-N -1 1 354.322 2.841 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000186987035 509989455 /nfs/dbraw/zinc/98/94/55/509989455.db2.gz DMVFYHMGDLMZCZ-CQSZACIVSA-N -1 1 363.757 2.563 20 5 FFBDMM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c21 ZINC000177730998 510220725 /nfs/dbraw/zinc/22/07/25/510220725.db2.gz FZNDYXORUKAOCW-UHFFFAOYSA-N -1 1 365.436 2.967 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)s1 ZINC000190726725 510310344 /nfs/dbraw/zinc/31/03/44/510310344.db2.gz NEZJMBWRNXGXOW-JTQLQIEISA-N -1 1 358.372 2.598 20 5 FFBDMM Cc1ccc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000175191270 510524955 /nfs/dbraw/zinc/52/49/55/510524955.db2.gz SHXCGFYZCDTQKC-NSHDSACASA-N -1 1 352.350 2.631 20 5 FFBDMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182125652 510770292 /nfs/dbraw/zinc/77/02/92/510770292.db2.gz UAWAFRMLNGKPEB-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM Cc1cc(Cl)cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000322208742 511824231 /nfs/dbraw/zinc/82/42/31/511824231.db2.gz OSKANMNYKYIJKN-UHFFFAOYSA-N -1 1 358.759 2.769 20 5 FFBDMM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000325854402 511852192 /nfs/dbraw/zinc/85/21/92/511852192.db2.gz GJKNRPUXWGVLHK-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)[n-]1 ZINC000446018035 513164308 /nfs/dbraw/zinc/16/43/08/513164308.db2.gz GSXQIDSQDCXHGZ-UHFFFAOYSA-N -1 1 369.259 2.900 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(F)F ZINC000451074461 513499682 /nfs/dbraw/zinc/49/96/82/513499682.db2.gz WNAGERPCXLDLDR-LURJTMIESA-N -1 1 373.175 2.679 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000435809300 513689054 /nfs/dbraw/zinc/68/90/54/513689054.db2.gz PDUKHTYKRCRQKR-JTQLQIEISA-N -1 1 364.383 2.597 20 5 FFBDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442348657 513704897 /nfs/dbraw/zinc/70/48/97/513704897.db2.gz LIILRXNYKPVZAN-UHFFFAOYSA-N -1 1 364.379 2.501 20 5 FFBDMM Cc1cnc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000427241209 514159235 /nfs/dbraw/zinc/15/92/35/514159235.db2.gz IDOWYUJNRWOAGZ-UHFFFAOYSA-N -1 1 357.366 2.687 20 5 FFBDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2n(C)c1=O ZINC000427300702 514176956 /nfs/dbraw/zinc/17/69/56/514176956.db2.gz UZNGEPOPSPPUHN-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003994 514386263 /nfs/dbraw/zinc/38/62/63/514386263.db2.gz KWGJQWKFLXWWFD-SECBINFHSA-N -1 1 370.148 2.866 20 5 FFBDMM CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471117185 514759067 /nfs/dbraw/zinc/75/90/67/514759067.db2.gz SHESBMFGGXOZRL-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000502809857 514789342 /nfs/dbraw/zinc/78/93/42/514789342.db2.gz KHTBLEPTKNJDTK-UHFFFAOYSA-N -1 1 374.378 2.972 20 5 FFBDMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480738838 515065481 /nfs/dbraw/zinc/06/54/81/515065481.db2.gz YHDFYUQNCCBCLR-GFCCVEGCSA-N -1 1 370.452 2.593 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000503812379 515145311 /nfs/dbraw/zinc/14/53/11/515145311.db2.gz IRPSVXMRWUMVAB-GFCCVEGCSA-N -1 1 374.802 2.897 20 5 FFBDMM CNc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cccc1[N+](=O)[O-] ZINC000463204395 515394100 /nfs/dbraw/zinc/39/41/00/515394100.db2.gz IYSLDIMPWVYNHO-UHFFFAOYSA-N -1 1 353.338 2.985 20 5 FFBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000499717921 515425427 /nfs/dbraw/zinc/42/54/27/515425427.db2.gz IOULPLZSKVMOAI-PSASIEDQSA-N -1 1 363.233 2.824 20 5 FFBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1)OCO2 ZINC000481818548 515476322 /nfs/dbraw/zinc/47/63/22/515476322.db2.gz XLYNLZXLUXMQKA-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481874501 515496780 /nfs/dbraw/zinc/49/67/80/515496780.db2.gz MSGQDNADQDVYKP-UHFFFAOYSA-N -1 1 354.771 2.984 20 5 FFBDMM Cc1ccc2nc(CN=c3[n-]c(-c4ccc([N+](=O)[O-])cc4)no3)[nH]c2c1 ZINC000486940090 515690839 /nfs/dbraw/zinc/69/08/39/515690839.db2.gz PFJGBPIXYKVGEH-UHFFFAOYSA-N -1 1 350.338 2.864 20 5 FFBDMM Cc1sc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000511398013 515891521 /nfs/dbraw/zinc/89/15/21/515891521.db2.gz NMMCZLVTMZLWPK-UHFFFAOYSA-N -1 1 358.363 2.976 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC000525699463 517122870 /nfs/dbraw/zinc/12/28/70/517122870.db2.gz CTPQXIRXYLEUEA-UHFFFAOYSA-N -1 1 357.391 2.664 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000532858276 517171845 /nfs/dbraw/zinc/17/18/45/517171845.db2.gz KQLXMGYRCSZCOM-VXGBXAGGSA-N -1 1 358.464 2.694 20 5 FFBDMM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000541804018 517222146 /nfs/dbraw/zinc/22/21/46/517222146.db2.gz JNZFKYOLXBHNAJ-LLVKDONJSA-N -1 1 364.379 2.659 20 5 FFBDMM O=C(Nc1c([O-])cccc1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000552435728 517258298 /nfs/dbraw/zinc/25/82/98/517258298.db2.gz WSRHNWXUTILPMH-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000520028797 517261693 /nfs/dbraw/zinc/26/16/93/517261693.db2.gz GCYIEHBHIFXXSV-UHFFFAOYSA-N -1 1 356.425 2.630 20 5 FFBDMM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000559805738 517435275 /nfs/dbraw/zinc/43/52/75/517435275.db2.gz SGVVBCWUUYXMDQ-ZDUSSCGKSA-N -1 1 370.814 2.569 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])n1 ZINC000533635303 517556651 /nfs/dbraw/zinc/55/66/51/517556651.db2.gz XCWMVQUEMJHBKU-AWEZNQCLSA-N -1 1 366.443 2.529 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000581607654 518370233 /nfs/dbraw/zinc/37/02/33/518370233.db2.gz NTSZNERRDLWLIY-UHFFFAOYSA-N -1 1 364.379 2.995 20 5 FFBDMM CS(=O)(=O)[N-]c1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC000564473409 518467509 /nfs/dbraw/zinc/46/75/09/518467509.db2.gz HITCXIDDIKYJTQ-UHFFFAOYSA-N -1 1 360.351 2.702 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000584867230 518515570 /nfs/dbraw/zinc/51/55/70/518515570.db2.gz RTNSYNPOVIMPNK-HSZRJFAPSA-N -1 1 368.436 2.750 20 5 FFBDMM COc1cc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000565112001 518793339 /nfs/dbraw/zinc/79/33/39/518793339.db2.gz FYBIAMWWDLHHIY-UHFFFAOYSA-N -1 1 360.366 2.699 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000590597607 519282127 /nfs/dbraw/zinc/28/21/27/519282127.db2.gz KAKNOEGJPJHUNL-UHFFFAOYSA-N -1 1 358.759 2.763 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000584055410 519568758 /nfs/dbraw/zinc/56/87/58/519568758.db2.gz BMCWAEBCBCFIEU-CQSZACIVSA-N -1 1 374.397 2.650 20 5 FFBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608934090 520164487 /nfs/dbraw/zinc/16/44/87/520164487.db2.gz WWVZOGWZAGIQFU-UHFFFAOYSA-N -1 1 374.334 2.730 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)c([N+](=O)[O-])n1 ZINC000611107580 520988212 /nfs/dbraw/zinc/98/82/12/520988212.db2.gz STSHGZRTRWOBIG-UHFFFAOYSA-N -1 1 364.427 2.559 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000593748795 521190692 /nfs/dbraw/zinc/19/06/92/521190692.db2.gz UWLGPOWCQKCVIM-JSGCOSHPSA-N -1 1 359.386 2.591 20 5 FFBDMM COc1cc(CN2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593750517 521192260 /nfs/dbraw/zinc/19/22/60/521192260.db2.gz ITIQQLIKHNUTSR-HNNXBMFYSA-N -1 1 360.313 2.501 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(Cl)cc21 ZINC000599479237 521246900 /nfs/dbraw/zinc/24/69/00/521246900.db2.gz BUOPJTSTJDITNX-ZDUSSCGKSA-N -1 1 367.814 2.999 20 5 FFBDMM COc1cc(CN=c2[n-]nc(Cc3ccccc3)o2)cc([N+](=O)[O-])c1O ZINC000479769645 561196756 /nfs/dbraw/zinc/19/67/56/561196756.db2.gz FJQYKMKSBASPHK-UHFFFAOYSA-N -1 1 356.338 2.895 20 5 FFBDMM Cn1ccnc1[C@@H](NC1CCC(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000821304822 597665116 /nfs/dbraw/zinc/66/51/16/597665116.db2.gz HDKBVLRUWNVHQF-XUJLQICISA-N -1 1 358.398 2.651 20 5 FFBDMM CC[C@](NCc1cc([N+](=O)[O-])cc2c1OCOC2)(C(=O)[O-])c1ccccc1 ZINC000736916403 600131142 /nfs/dbraw/zinc/13/11/42/600131142.db2.gz HUBSBIOUGQSRID-LJQANCHMSA-N -1 1 372.377 2.941 20 5 FFBDMM C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661684 600522243 /nfs/dbraw/zinc/52/22/43/600522243.db2.gz GXROBFCFPCQALM-CHWSQXEVSA-N -1 1 371.393 2.649 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740048851 602653104 /nfs/dbraw/zinc/65/31/04/602653104.db2.gz OKYRBEXQZGJTMC-UHFFFAOYSA-N -1 1 351.340 2.794 20 5 FFBDMM Cc1nn(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830870684 604740676 /nfs/dbraw/zinc/74/06/76/604740676.db2.gz MBCGGSQNPRNAEZ-ZDUSSCGKSA-N -1 1 361.402 2.532 20 5 FFBDMM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000833324489 604773038 /nfs/dbraw/zinc/77/30/38/604773038.db2.gz ACFPNUQXSPGSAY-QHHAFSJGSA-N -1 1 353.290 2.818 20 5 FFBDMM CC(C)OCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820146587 606700486 /nfs/dbraw/zinc/70/04/86/606700486.db2.gz OMNFWGXZNZBAGG-UHFFFAOYSA-N -1 1 355.358 2.839 20 5 FFBDMM CC(C)OCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820146587 606700487 /nfs/dbraw/zinc/70/04/87/606700487.db2.gz OMNFWGXZNZBAGG-UHFFFAOYSA-N -1 1 355.358 2.839 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2ccccc2F)CC1 ZINC000823620475 606711380 /nfs/dbraw/zinc/71/13/80/606711380.db2.gz LIUBCIAAODLNCJ-UHFFFAOYSA-N -1 1 369.360 2.693 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2ccccc2F)CC1 ZINC000823620475 606711381 /nfs/dbraw/zinc/71/13/81/606711381.db2.gz LIUBCIAAODLNCJ-UHFFFAOYSA-N -1 1 369.360 2.693 20 5 FFBDMM CN(Cc1c(F)cccc1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821607418 607162777 /nfs/dbraw/zinc/16/27/77/607162777.db2.gz NPCNLZWIKDZVIX-UHFFFAOYSA-N -1 1 363.740 2.599 20 5 FFBDMM CN(Cc1c(F)cccc1Cl)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821607418 607162778 /nfs/dbraw/zinc/16/27/78/607162778.db2.gz NPCNLZWIKDZVIX-UHFFFAOYSA-N -1 1 363.740 2.599 20 5 FFBDMM O=[N+]([O-])c1cccc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000826499823 607968643 /nfs/dbraw/zinc/96/86/43/607968643.db2.gz ZBDUMTQHXHTCOJ-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1cccc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000826499823 607968644 /nfs/dbraw/zinc/96/86/44/607968644.db2.gz ZBDUMTQHXHTCOJ-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM Cc1nn(C)c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c1[N+](=O)[O-] ZINC000112594502 728546692 /nfs/dbraw/zinc/54/66/92/728546692.db2.gz QARXPZNJUYZSTB-UHFFFAOYSA-N -1 1 362.346 2.547 20 5 FFBDMM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173599728 729050720 /nfs/dbraw/zinc/05/07/20/729050720.db2.gz LZSQURJFJFIQNF-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCCC2 ZINC000174032758 729060950 /nfs/dbraw/zinc/06/09/50/729060950.db2.gz ISRNXTPHHZUNIC-KGLIPLIRSA-N -1 1 372.418 2.750 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000179624222 729190530 /nfs/dbraw/zinc/19/05/30/729190530.db2.gz LGTANVKISYOOOT-UHFFFAOYSA-N -1 1 355.303 2.751 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000194346655 729507966 /nfs/dbraw/zinc/50/79/66/729507966.db2.gz ZICJXVQWARLWOA-UHFFFAOYSA-N -1 1 350.327 2.959 20 5 FFBDMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000312750569 729744052 /nfs/dbraw/zinc/74/40/52/729744052.db2.gz ZDMLLIVARGXPKS-LLVKDONJSA-N -1 1 363.233 2.824 20 5 FFBDMM O=c1[n-]nc([C@H]2CCCN(c3cccc(Br)c3[N+](=O)[O-])C2)o1 ZINC000856748874 730354246 /nfs/dbraw/zinc/35/42/46/730354246.db2.gz PRXDMPKOHIHJSI-QMMMGPOBSA-N -1 1 369.175 2.830 20 5 FFBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 ZINC000857752586 730409277 /nfs/dbraw/zinc/40/92/77/730409277.db2.gz WSMJIQMLANYFDX-UHFFFAOYSA-N -1 1 355.357 2.637 20 5 FFBDMM CCCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1=O ZINC000751269410 735860250 /nfs/dbraw/zinc/86/02/50/735860250.db2.gz BPHXMOPFCRVUCS-UHFFFAOYSA-N -1 1 371.802 2.621 20 5 FFBDMM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000768889146 737473076 /nfs/dbraw/zinc/47/30/76/737473076.db2.gz PPLRYOAFUMSRAD-SNVBAGLBSA-N -1 1 359.454 2.777 20 5 FFBDMM CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795803586 740065854 /nfs/dbraw/zinc/06/58/54/740065854.db2.gz LLJUJXPANHUOOK-UHFFFAOYSA-N -1 1 369.212 2.821 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000797840954 740279389 /nfs/dbraw/zinc/27/93/89/740279389.db2.gz NXEAOWSGEFABMM-JOCQHMNTSA-N -1 1 350.371 2.958 20 5 FFBDMM COc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224690 740314143 /nfs/dbraw/zinc/31/41/43/740314143.db2.gz QVNDYDJRVNQOLW-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cnc1Cl ZINC000800928671 740567351 /nfs/dbraw/zinc/56/73/51/740567351.db2.gz RNXQJCMJUQJYNL-UHFFFAOYSA-N -1 1 361.738 2.592 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1Cl ZINC000808582168 741240578 /nfs/dbraw/zinc/24/05/78/741240578.db2.gz VLCRZPQIIAZTKW-SNVBAGLBSA-N -1 1 358.725 2.867 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1 ZINC000809817182 741347275 /nfs/dbraw/zinc/34/72/75/741347275.db2.gz VEYKPWRTBDSNKB-GFCCVEGCSA-N -1 1 369.226 2.607 20 5 FFBDMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819618 741348109 /nfs/dbraw/zinc/34/81/09/741348109.db2.gz BLPIFIIZXZSKDR-YUMQZZPRSA-N -1 1 371.242 2.587 20 5 FFBDMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809821407 741348667 /nfs/dbraw/zinc/34/86/67/741348667.db2.gz RWQSMWMAANRCQI-HTQZYQBOSA-N -1 1 368.839 2.950 20 5 FFBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829283 741350286 /nfs/dbraw/zinc/35/02/86/741350286.db2.gz CSNYYDGTOJQLNQ-SSDOTTSWSA-N -1 1 356.828 2.807 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000815012089 741881795 /nfs/dbraw/zinc/88/17/95/741881795.db2.gz CYICVRYTTKSLPR-UHFFFAOYSA-N -1 1 368.839 2.809 20 5 FFBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016927 741883034 /nfs/dbraw/zinc/88/30/34/741883034.db2.gz RAUKMRAEDSEORA-SSDOTTSWSA-N -1 1 356.828 2.807 20 5 FFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815044033 741889661 /nfs/dbraw/zinc/88/96/61/741889661.db2.gz VXBGGZTVSNDMFV-UHFFFAOYSA-N -1 1 354.812 2.561 20 5 FFBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000817881773 742220362 /nfs/dbraw/zinc/22/03/62/742220362.db2.gz OGNCDDDPEJODQI-NXEZZACHSA-N -1 1 357.204 2.900 20 5 FFBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832285838 745672058 /nfs/dbraw/zinc/67/20/58/745672058.db2.gz XSTLTSJJSNZIOY-MWLCHTKSSA-N -1 1 369.226 2.747 20 5 FFBDMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841550035 747393919 /nfs/dbraw/zinc/39/39/19/747393919.db2.gz KZOOXLLGSZMKHT-KOLCDFICSA-N -1 1 369.226 2.747 20 5 FFBDMM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841553708 747395646 /nfs/dbraw/zinc/39/56/46/747395646.db2.gz GOBJSTHJCGXYOD-MRVPVSSYSA-N -1 1 371.242 2.853 20 5 FFBDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841557422 747397441 /nfs/dbraw/zinc/39/74/41/747397441.db2.gz FCXXTWTWBGSEEI-UHFFFAOYSA-N -1 1 367.402 2.905 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC[C@H]1CC1(Cl)Cl ZINC000846022838 748385862 /nfs/dbraw/zinc/38/58/62/748385862.db2.gz UAGMZXCHKUWUPS-QMMMGPOBSA-N -1 1 371.217 2.986 20 5 FFBDMM CC(C)OCCOC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591726128 975681385 /nfs/dbraw/zinc/68/13/85/975681385.db2.gz FOTDXQOUBMBNQW-UHFFFAOYSA-N -1 1 366.414 2.699 20 5 FFBDMM O=[N+]([O-])c1c(F)cc(F)cc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936176 978194914 /nfs/dbraw/zinc/19/49/14/978194914.db2.gz INKFGYRSFTTXLV-UHFFFAOYSA-N -1 1 370.248 2.958 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN([C@@H](C)c3ccccc3)CC2)n1 ZINC000910372050 981918814 /nfs/dbraw/zinc/91/88/14/981918814.db2.gz FVLVABQAXHFFJR-AWEZNQCLSA-N -1 1 370.409 2.880 20 5 FFBDMM CCN(C)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001596194345 983576805 /nfs/dbraw/zinc/57/68/05/983576805.db2.gz JUNROPGRDOYDFX-SFHVURJKSA-N -1 1 358.398 2.536 20 5 FFBDMM COc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC001599571607 998373111 /nfs/dbraw/zinc/37/31/11/998373111.db2.gz SXBKTUWUCIIYLW-SFHVURJKSA-N -1 1 360.366 2.702 20 5 FFBDMM CN(C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000769334105 1000495599 /nfs/dbraw/zinc/49/55/99/1000495599.db2.gz MXQAMJRNHJIQPF-CYBMUJFWSA-N -1 1 365.430 2.989 20 5 FFBDMM O=c1nc2nc[nH]c2c(Nc2c(Br)cc(F)cc2[N+](=O)[O-])[n-]1 ZINC001170227452 1003074511 /nfs/dbraw/zinc/07/45/11/1003074511.db2.gz NPMUIGZCPKHFQG-UHFFFAOYSA-N -1 1 369.110 2.612 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)cc1F ZINC001195771698 1005035351 /nfs/dbraw/zinc/03/53/51/1005035351.db2.gz BGTSTIUJHJMGTQ-MRXNPFEDSA-N -1 1 365.386 2.867 20 5 FFBDMM CSc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1[N+](=O)[O-] ZINC001275595450 1012663650 /nfs/dbraw/zinc/66/36/50/1012663650.db2.gz AQAGHCCBSPVCEL-UHFFFAOYSA-N -1 1 360.395 2.943 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 ZINC000780076023 1019644794 /nfs/dbraw/zinc/64/47/94/1019644794.db2.gz OLUYTTUCUQYHLD-UHFFFAOYSA-N -1 1 356.334 2.585 20 5 FFBDMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001116843406 1021449873 /nfs/dbraw/zinc/44/98/73/1021449873.db2.gz HNGZKONBJISIJC-UHFFFAOYSA-N -1 1 358.745 2.535 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC[C@H]4C[C@@H](O)C4)cc3c(=O)c12 ZINC001218436962 1033157148 /nfs/dbraw/zinc/15/71/48/1033157148.db2.gz UEGAWQVNXMYYBQ-AOOOYVTPSA-N -1 1 358.346 2.516 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc(=O)[n-]c(SC)n1 ZINC001163611762 1028988610 /nfs/dbraw/zinc/98/86/10/1028988610.db2.gz YGYNTZAOBGESSK-UHFFFAOYSA-N -1 1 364.383 2.519 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@@H](F)CC1 ZINC001225660024 1034353611 /nfs/dbraw/zinc/35/36/11/1034353611.db2.gz BTOBNHFJOMLTTC-CMPLNLGQSA-N -1 1 371.365 2.812 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cnc2ccccn21 ZINC001226308344 1034623990 /nfs/dbraw/zinc/62/39/90/1034623990.db2.gz WAMLMSRIIQFVIE-JTQLQIEISA-N -1 1 372.337 2.660 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCc2ccccc2C1 ZINC001226310313 1034625587 /nfs/dbraw/zinc/62/55/87/1034625587.db2.gz PMBOVVUVSIYQEX-ZDUSSCGKSA-N -1 1 358.350 2.808 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@@H]3CCC(=O)O3)c([N+](=O)[O-])c2)cc1 ZINC001227703542 1035686197 /nfs/dbraw/zinc/68/61/97/1035686197.db2.gz WADAWULWJLVEHV-AWEZNQCLSA-N -1 1 371.345 2.924 20 5 FFBDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143675 1035958535 /nfs/dbraw/zinc/95/85/35/1035958535.db2.gz PDQRKIQVZZIIFE-QWRGUYRKSA-N -1 1 368.390 2.505 20 5 FFBDMM Cc1nc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378256 1036640500 /nfs/dbraw/zinc/64/05/00/1036640500.db2.gz JMNPNDOGSOSFKZ-LBPRGKRZSA-N -1 1 364.789 2.706 20 5 FFBDMM C=CC(=O)OC[C@@H](C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229802234 1036908341 /nfs/dbraw/zinc/90/83/41/1036908341.db2.gz IZPGQTLFOZDOQB-SNVBAGLBSA-N -1 1 356.330 2.854 20 5 FFBDMM CCOC(=O)C[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125242 1036928422 /nfs/dbraw/zinc/92/84/22/1036928422.db2.gz PRLAYRKUEPYTPV-SECBINFHSA-N -1 1 374.345 2.784 20 5 FFBDMM COC(=O)[C@@H]1CCC[C@@H]1Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234874791 1037216750 /nfs/dbraw/zinc/21/67/50/1037216750.db2.gz CUGXAWFVTHWNSC-KCJUWKMLSA-N -1 1 360.160 2.783 20 5 FFBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCc1c(F)cc([O-])cc1F ZINC001255798338 1038173370 /nfs/dbraw/zinc/17/33/70/1038173370.db2.gz HXYGKANWPWMEON-UHFFFAOYSA-N -1 1 365.336 2.963 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c1 ZINC001251045853 1038910810 /nfs/dbraw/zinc/91/08/10/1038910810.db2.gz NGEOERHJRZTGQX-UHFFFAOYSA-N -1 1 358.329 2.819 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c1[O-] ZINC001251272015 1039042853 /nfs/dbraw/zinc/04/28/53/1039042853.db2.gz QIYJXZPNUPGDTK-UHFFFAOYSA-N -1 1 358.329 2.819 20 5 FFBDMM COC(=O)c1ncc(Br)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393427 1039520033 /nfs/dbraw/zinc/52/00/33/1039520033.db2.gz UHQRCKPSDJGGQA-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)[n-]1 ZINC001537897915 1070287451 /nfs/dbraw/zinc/28/74/51/1070287451.db2.gz ZNBUIHPIJVHURY-UHFFFAOYSA-N -1 1 363.301 2.612 20 5 FFBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001526770991 1061254830 /nfs/dbraw/zinc/25/48/30/1061254830.db2.gz SDEHMZVVTASNAB-UHFFFAOYSA-N -1 1 362.289 2.864 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)cc1F ZINC001463722684 1062227004 /nfs/dbraw/zinc/22/70/04/1062227004.db2.gz HKADUOWEUJESQU-NSHDSACASA-N -1 1 371.217 2.905 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)[n-]c1Cl ZINC001439501786 1063167327 /nfs/dbraw/zinc/16/73/27/1063167327.db2.gz VGKAANGCYBKYPP-UHFFFAOYSA-N -1 1 366.761 2.638 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001586578548 1079650854 /nfs/dbraw/zinc/65/08/54/1079650854.db2.gz AIKBNOIUIUOXAZ-NSHDSACASA-N -1 1 367.365 2.592 20 5 FFBDMM Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)cc1 ZINC001587796392 1079866259 /nfs/dbraw/zinc/86/62/59/1079866259.db2.gz LAGXNUHPSTXMCW-INIZCTEOSA-N -1 1 355.394 2.613 20 5 FFBDMM CC(=O)Nc1ccc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001588878956 1080229532 /nfs/dbraw/zinc/22/95/32/1080229532.db2.gz QFDSDDJYLUPQCA-UHFFFAOYSA-N -1 1 362.396 2.946 20 5 FFBDMM CC(=O)Nc1ccc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001588878956 1080229544 /nfs/dbraw/zinc/22/95/44/1080229544.db2.gz QFDSDDJYLUPQCA-UHFFFAOYSA-N -1 1 362.396 2.946 20 5 FFBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001589980988 1080920493 /nfs/dbraw/zinc/92/04/93/1080920493.db2.gz SCSNEFSFJFDUEK-SECBINFHSA-N -1 1 352.358 2.615 20 5 FFBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001589980988 1080920500 /nfs/dbraw/zinc/92/05/00/1080920500.db2.gz SCSNEFSFJFDUEK-SECBINFHSA-N -1 1 352.358 2.615 20 5 FFBDMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039642 208197545 /nfs/dbraw/zinc/19/75/45/208197545.db2.gz VNKDFWOQOWGHCU-MRVPVSSYSA-N -1 1 351.222 2.824 20 5 FFBDMM O=C(CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)N1CCCC1 ZINC000299098466 257964758 /nfs/dbraw/zinc/96/47/58/257964758.db2.gz CEWQWMCCDOYHLT-UHFFFAOYSA-N -1 1 356.382 2.730 20 5 FFBDMM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000410321577 512239394 /nfs/dbraw/zinc/23/93/94/512239394.db2.gz DHMBOLIJTJLPGA-UHFFFAOYSA-N -1 1 367.408 2.627 20 5 FFBDMM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066001592 506409596 /nfs/dbraw/zinc/40/95/96/506409596.db2.gz GWGJJITZMVKKQH-UHFFFAOYSA-N -1 1 356.425 2.630 20 5 FFBDMM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000077393038 508310332 /nfs/dbraw/zinc/31/03/32/508310332.db2.gz PYCPVVINQGJMAA-NSHDSACASA-N -1 1 354.409 2.685 20 5 FFBDMM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000158134075 508661928 /nfs/dbraw/zinc/66/19/28/508661928.db2.gz RBRUJUBNAVVVGI-GXSJLCMTSA-N -1 1 374.415 2.586 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1Cc2ccccc2O1 ZINC000119548127 508816630 /nfs/dbraw/zinc/81/66/30/508816630.db2.gz SEVTXPSHTCRFSK-LLVKDONJSA-N -1 1 368.798 2.530 20 5 FFBDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000131304691 508912717 /nfs/dbraw/zinc/91/27/17/508912717.db2.gz JMNAKPQAYRRAQQ-CQSZACIVSA-N -1 1 368.411 2.557 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c(F)c1 ZINC000126813888 509133059 /nfs/dbraw/zinc/13/30/59/509133059.db2.gz ANPIZCNNTZCICL-UHFFFAOYSA-N -1 1 354.363 2.915 20 5 FFBDMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164194768 509474323 /nfs/dbraw/zinc/47/43/23/509474323.db2.gz UKKKTOUECPSKBR-MRXNPFEDSA-N -1 1 355.394 2.695 20 5 FFBDMM CN(Cc1ccc(Br)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186744216 509884086 /nfs/dbraw/zinc/88/40/86/509884086.db2.gz CRFUTCSGEXNUMB-UHFFFAOYSA-N -1 1 366.171 2.730 20 5 FFBDMM O=C(N[C@@H](c1nccs1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193549353 509961011 /nfs/dbraw/zinc/96/10/11/509961011.db2.gz GMAWHUBSTIDSQF-CYBMUJFWSA-N -1 1 356.363 2.671 20 5 FFBDMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193600753 509984649 /nfs/dbraw/zinc/98/46/49/509984649.db2.gz DVFFEHXIQXHKTR-YMTOWFKASA-N -1 1 365.773 2.855 20 5 FFBDMM CCO[C@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131102 510076712 /nfs/dbraw/zinc/07/67/12/510076712.db2.gz OAZULPWOOWSXAM-GJZGRUSLSA-N -1 1 363.414 2.895 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000187180535 510107518 /nfs/dbraw/zinc/10/75/18/510107518.db2.gz YRKMLFHQGCODPW-GFCCVEGCSA-N -1 1 356.382 2.787 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000330462969 510984424 /nfs/dbraw/zinc/98/44/24/510984424.db2.gz YYUJNUAPFLFICI-RYUDHWBXSA-N -1 1 358.464 2.694 20 5 FFBDMM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000282594128 511038096 /nfs/dbraw/zinc/03/80/96/511038096.db2.gz FHHAEKAAZSHQBK-UHFFFAOYSA-N -1 1 362.317 2.732 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000326134738 511854655 /nfs/dbraw/zinc/85/46/55/511854655.db2.gz HJFGZFAMBYBIPC-UHFFFAOYSA-N -1 1 350.352 2.607 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000327417635 511875684 /nfs/dbraw/zinc/87/56/84/511875684.db2.gz FRKCMASGZVKADL-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000374486400 512855494 /nfs/dbraw/zinc/85/54/94/512855494.db2.gz WDDIRBCHGPSAJD-QGZVFWFLSA-N -1 1 363.320 2.854 20 5 FFBDMM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370367381 512896842 /nfs/dbraw/zinc/89/68/42/512896842.db2.gz OUTLWXDRYQQGGI-UHFFFAOYSA-N -1 1 369.377 2.618 20 5 FFBDMM CCc1nn(C)c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000372739904 513022973 /nfs/dbraw/zinc/02/29/73/513022973.db2.gz JYVXFGUQYDHETK-UHFFFAOYSA-N -1 1 358.398 2.696 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000429977212 513516846 /nfs/dbraw/zinc/51/68/46/513516846.db2.gz VAIUOPAKLNYMEY-QMMMGPOBSA-N -1 1 354.762 2.962 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000447747514 513560727 /nfs/dbraw/zinc/56/07/27/513560727.db2.gz UMVUSYYOHFARHQ-UHFFFAOYSA-N -1 1 372.768 2.960 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431637163 513953689 /nfs/dbraw/zinc/95/36/89/513953689.db2.gz RNBWNUWBQUYZRA-AWEZNQCLSA-N -1 1 372.349 2.888 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000427254468 514162960 /nfs/dbraw/zinc/16/29/60/514162960.db2.gz ZSKRVCGAXVXKMW-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c([O-])c1 ZINC000427689496 514288129 /nfs/dbraw/zinc/28/81/29/514288129.db2.gz PLKKRQRAJGZZLE-UHFFFAOYSA-N -1 1 360.322 2.738 20 5 FFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000438231130 514334848 /nfs/dbraw/zinc/33/48/48/514334848.db2.gz NECINQMWHUXSJV-UHFFFAOYSA-N -1 1 358.807 2.951 20 5 FFBDMM O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444982416 514382393 /nfs/dbraw/zinc/38/23/93/514382393.db2.gz SRGIWCQFMLDUSL-ZBFHGGJFSA-N -1 1 357.366 2.563 20 5 FFBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000445173743 514436115 /nfs/dbraw/zinc/43/61/15/514436115.db2.gz ACQTWUHDFTZQGN-ZDUSSCGKSA-N -1 1 367.365 2.967 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000445189377 514439177 /nfs/dbraw/zinc/43/91/77/514439177.db2.gz JWOIWDAPTINQAH-SECBINFHSA-N -1 1 371.378 2.705 20 5 FFBDMM CC1(C)[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1OCc1ccccc1 ZINC000445221463 514445476 /nfs/dbraw/zinc/44/54/76/514445476.db2.gz XESJBGZCSSUUGG-HOTGVXAUSA-N -1 1 371.393 2.809 20 5 FFBDMM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445471865 514484315 /nfs/dbraw/zinc/48/43/15/514484315.db2.gz IIWQVNGBMMAWFQ-VIFPVBQESA-N -1 1 372.312 2.981 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1Br ZINC000480023885 514814141 /nfs/dbraw/zinc/81/41/41/514814141.db2.gz YKAZTXIRETYDPW-UHFFFAOYSA-N -1 1 353.176 2.625 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)s1 ZINC000485884273 515237978 /nfs/dbraw/zinc/23/79/78/515237978.db2.gz RDOCAWALTVSGRD-UHFFFAOYSA-N -1 1 369.399 2.798 20 5 FFBDMM O=C(Nc1nc2c(s1)CC1(CCOCC1)CC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000456533046 515240032 /nfs/dbraw/zinc/24/00/32/515240032.db2.gz HFZWMBSZCUQYDH-UHFFFAOYSA-N -1 1 362.411 2.917 20 5 FFBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCC2)n1 ZINC000474114889 515890070 /nfs/dbraw/zinc/89/00/70/515890070.db2.gz OFWOXYGDIMEKTA-UHFFFAOYSA-N -1 1 359.454 2.779 20 5 FFBDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000531195904 516342546 /nfs/dbraw/zinc/34/25/46/516342546.db2.gz IWPLJPCPARRQSX-UHFFFAOYSA-N -1 1 364.379 2.965 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccccc1Cl ZINC000547870867 516610999 /nfs/dbraw/zinc/61/09/99/516610999.db2.gz UGLBCGDWRXRHEI-UHFFFAOYSA-N -1 1 370.770 2.888 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1 ZINC000544838456 516952480 /nfs/dbraw/zinc/95/24/80/516952480.db2.gz XUGPQEASQRYXQP-UHFFFAOYSA-N -1 1 372.362 2.978 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000541309839 516980013 /nfs/dbraw/zinc/98/00/13/516980013.db2.gz HXPIJIDFKDWMHK-VIFPVBQESA-N -1 1 350.849 2.812 20 5 FFBDMM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000548593697 517071394 /nfs/dbraw/zinc/07/13/94/517071394.db2.gz KMZPKKMKUDVIQP-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C(c1c(F)ccc([O-])c1F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000537212813 517091767 /nfs/dbraw/zinc/09/17/67/517091767.db2.gz NNEPIDDKXZWBTG-UHFFFAOYSA-N -1 1 363.320 2.541 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])n1 ZINC000533635304 517555939 /nfs/dbraw/zinc/55/59/39/517555939.db2.gz XCWMVQUEMJHBKU-CQSZACIVSA-N -1 1 366.443 2.529 20 5 FFBDMM CC(C)CSCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000533692675 517572690 /nfs/dbraw/zinc/57/26/90/517572690.db2.gz BARPPCGYCRPDMK-UHFFFAOYSA-N -1 1 352.865 2.916 20 5 FFBDMM O=C([O-])c1cc(NC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000549513126 517595101 /nfs/dbraw/zinc/59/51/01/517595101.db2.gz RLZQHBKKIAZWFG-UHFFFAOYSA-N -1 1 356.382 2.765 20 5 FFBDMM CC(C)(C)n1cnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000543171762 517945233 /nfs/dbraw/zinc/94/52/33/517945233.db2.gz CCXQVBHYBDVFHS-UHFFFAOYSA-N -1 1 368.191 2.956 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(Cc3ccccc3C)CC2)n1 ZINC000575753098 518264690 /nfs/dbraw/zinc/26/46/90/518264690.db2.gz VEYBBBNDFCIWFL-UHFFFAOYSA-N -1 1 370.409 2.627 20 5 FFBDMM COc1cc(CN2CCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000578756324 518360186 /nfs/dbraw/zinc/36/01/86/518360186.db2.gz OIDOIYKQRLXEOU-SNVBAGLBSA-N -1 1 360.313 2.644 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000581830168 518458355 /nfs/dbraw/zinc/45/83/55/518458355.db2.gz CHBOQCKXCQWDLP-UHFFFAOYSA-N -1 1 350.352 2.687 20 5 FFBDMM CSc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000570497709 518636390 /nfs/dbraw/zinc/63/63/90/518636390.db2.gz IJOANUJWJUYUDR-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000582639796 518849740 /nfs/dbraw/zinc/84/97/40/518849740.db2.gz NLRFGQYOECSCTB-GFCCVEGCSA-N -1 1 365.411 2.817 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000568574021 519104479 /nfs/dbraw/zinc/10/44/79/519104479.db2.gz FMOQCCNHUHGODS-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM COc1cccc(C[C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000580518289 519215072 /nfs/dbraw/zinc/21/50/72/519215072.db2.gz ATZWPRVKBPIOPP-CQSZACIVSA-N -1 1 357.366 2.551 20 5 FFBDMM Cc1ccc(C2(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)c(C)c1 ZINC000568839460 519239785 /nfs/dbraw/zinc/23/97/85/519239785.db2.gz IGIVXRLAFAKTRK-UHFFFAOYSA-N -1 1 361.423 2.617 20 5 FFBDMM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000566295144 519419421 /nfs/dbraw/zinc/41/94/21/519419421.db2.gz OXOALWYVDMPOSX-GFCCVEGCSA-N -1 1 356.382 2.547 20 5 FFBDMM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000583830400 519454532 /nfs/dbraw/zinc/45/45/32/519454532.db2.gz XYGIRCPTEURIBV-GFCCVEGCSA-N -1 1 370.452 2.930 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000594744994 520128473 /nfs/dbraw/zinc/12/84/73/520128473.db2.gz QQELSHOOCWJITC-CQSZACIVSA-N -1 1 353.375 2.805 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)s1 ZINC000609767485 520426074 /nfs/dbraw/zinc/42/60/74/520426074.db2.gz JATZGRLBATUNKT-LLVKDONJSA-N -1 1 352.437 2.740 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000595367234 520433161 /nfs/dbraw/zinc/43/31/61/520433161.db2.gz YPDAHNZGWORGHA-ZDUSSCGKSA-N -1 1 362.835 2.732 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600832190 520493850 /nfs/dbraw/zinc/49/38/50/520493850.db2.gz PQXZGCBLNJUJKZ-NSHDSACASA-N -1 1 363.320 2.993 20 5 FFBDMM COc1ccc2cc(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])ccc2c1 ZINC000610260295 520607684 /nfs/dbraw/zinc/60/76/84/520607684.db2.gz MSNUTSHTTMRTRV-UHFFFAOYSA-N -1 1 373.390 2.630 20 5 FFBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1nnn(C2CC2)c1C(F)(F)F ZINC000610412106 520673309 /nfs/dbraw/zinc/67/33/09/520673309.db2.gz IINBSXUOACZESD-UHFFFAOYSA-N -1 1 359.239 2.931 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)s1 ZINC000601515884 520820850 /nfs/dbraw/zinc/82/08/50/520820850.db2.gz GCELKTIMZSGOSV-NSHDSACASA-N -1 1 360.457 2.674 20 5 FFBDMM COc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596228220 520983057 /nfs/dbraw/zinc/98/30/57/520983057.db2.gz YUSKXVVHUCMCHX-UHFFFAOYSA-N -1 1 354.750 2.729 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000611108725 520987747 /nfs/dbraw/zinc/98/77/47/520987747.db2.gz IQONKAMUZMCUNY-AWEZNQCLSA-N -1 1 364.427 2.631 20 5 FFBDMM CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000737088856 600188656 /nfs/dbraw/zinc/18/86/56/600188656.db2.gz SKTQSCRRUUNEMX-UHFFFAOYSA-N -1 1 361.354 2.980 20 5 FFBDMM O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000740703703 602654732 /nfs/dbraw/zinc/65/47/32/602654732.db2.gz PXRPGBDMQMWHEG-UHFFFAOYSA-N -1 1 373.293 2.764 20 5 FFBDMM COc1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc1[N+](=O)[O-] ZINC000829388848 603854726 /nfs/dbraw/zinc/85/47/26/603854726.db2.gz BPPHACROCVSMGB-UHFFFAOYSA-N -1 1 357.366 2.934 20 5 FFBDMM Cc1cc([C@H](C)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C(=O)[O-] ZINC000832871148 604384121 /nfs/dbraw/zinc/38/41/21/604384121.db2.gz OXZCBPIUNWPQFY-RYUDHWBXSA-N -1 1 360.370 2.837 20 5 FFBDMM CC(C)(C(=O)[O-])[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000833413542 605174988 /nfs/dbraw/zinc/17/49/88/605174988.db2.gz HNYRWYSIOIUNNX-MRXNPFEDSA-N -1 1 371.393 2.635 20 5 FFBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823422598 606179661 /nfs/dbraw/zinc/17/96/61/606179661.db2.gz XTRRRSKAWIBMEK-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823422598 606179663 /nfs/dbraw/zinc/17/96/63/606179663.db2.gz XTRRRSKAWIBMEK-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM CCN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821222631 606644849 /nfs/dbraw/zinc/64/48/49/606644849.db2.gz VQEXRLJKWLWQNL-UHFFFAOYSA-N -1 1 368.353 2.530 20 5 FFBDMM CN(CCCCc1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821599278 606699513 /nfs/dbraw/zinc/69/95/13/606699513.db2.gz MZCXGHFSXURJEM-UHFFFAOYSA-N -1 1 353.386 2.629 20 5 FFBDMM CN(CCCCc1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821599278 606699516 /nfs/dbraw/zinc/69/95/16/606699516.db2.gz MZCXGHFSXURJEM-UHFFFAOYSA-N -1 1 353.386 2.629 20 5 FFBDMM Cc1ccccc1C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822351939 606706690 /nfs/dbraw/zinc/70/66/90/606706690.db2.gz RTGHTZXMTQCSDQ-UHFFFAOYSA-N -1 1 351.370 2.622 20 5 FFBDMM Cc1ccccc1C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822351939 606706692 /nfs/dbraw/zinc/70/66/92/606706692.db2.gz RTGHTZXMTQCSDQ-UHFFFAOYSA-N -1 1 351.370 2.622 20 5 FFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Sc1ccccc1 ZINC000820281932 606713072 /nfs/dbraw/zinc/71/30/72/606713072.db2.gz ZKRSZVCCIAAUOI-JTQLQIEISA-N -1 1 357.399 2.763 20 5 FFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Sc1ccccc1 ZINC000820281932 606713073 /nfs/dbraw/zinc/71/30/73/606713073.db2.gz ZKRSZVCCIAAUOI-JTQLQIEISA-N -1 1 357.399 2.763 20 5 FFBDMM COc1cc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1C ZINC000153309922 728776915 /nfs/dbraw/zinc/77/69/15/728776915.db2.gz HBTGDXPHXONFBK-UHFFFAOYSA-N -1 1 368.386 2.572 20 5 FFBDMM COCc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154266469 728800604 /nfs/dbraw/zinc/80/06/04/728800604.db2.gz YXBLCIGEFVJXPR-UHFFFAOYSA-N -1 1 354.359 2.990 20 5 FFBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101573428 728486854 /nfs/dbraw/zinc/48/68/54/728486854.db2.gz DRKPWANOBXCDAM-UHFFFAOYSA-N -1 1 371.758 2.635 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000120024671 728604135 /nfs/dbraw/zinc/60/41/35/728604135.db2.gz YESAKKRCIHQPGT-UHFFFAOYSA-N -1 1 362.816 2.797 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1cccs1 ZINC000173450163 729047629 /nfs/dbraw/zinc/04/76/29/729047629.db2.gz VJKPCWUSODVENF-JTQLQIEISA-N -1 1 358.416 2.953 20 5 FFBDMM Nc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000184709864 729331643 /nfs/dbraw/zinc/33/16/43/729331643.db2.gz MOWISBRZQNRWDT-AWEZNQCLSA-N -1 1 365.386 2.672 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000192726711 729457076 /nfs/dbraw/zinc/45/70/76/729457076.db2.gz CISCMNBYFPRBCP-UHFFFAOYSA-N -1 1 355.303 2.751 20 5 FFBDMM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194348367 729507951 /nfs/dbraw/zinc/50/79/51/729507951.db2.gz PDLXHWRERGQYDW-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM O=C1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000779420503 738463138 /nfs/dbraw/zinc/46/31/38/738463138.db2.gz BRHJFEFZZAWCLH-LBPRGKRZSA-N -1 1 366.782 2.854 20 5 FFBDMM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000732988175 734780330 /nfs/dbraw/zinc/78/03/30/734780330.db2.gz PXNQUNHMJMTDTR-NSHDSACASA-N -1 1 368.386 2.652 20 5 FFBDMM COCCN(CCC(=O)[O-])Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000901663548 735815208 /nfs/dbraw/zinc/81/52/08/735815208.db2.gz KIHXZWYWCUGDFN-UHFFFAOYSA-N -1 1 350.293 2.537 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]nc1C(F)(F)F ZINC000768863853 737468357 /nfs/dbraw/zinc/46/83/57/737468357.db2.gz CHIJVCAUMKKRDH-UHFFFAOYSA-N -1 1 356.307 2.507 20 5 FFBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809819252 741347577 /nfs/dbraw/zinc/34/75/77/741347577.db2.gz YYWRUULVUWKVGM-SECBINFHSA-N -1 1 368.814 2.871 20 5 FFBDMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818608 741347603 /nfs/dbraw/zinc/34/76/03/741347603.db2.gz GNSWBRORTMNLLJ-LBPRGKRZSA-N -1 1 371.242 2.731 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000920830896 737930786 /nfs/dbraw/zinc/93/07/86/737930786.db2.gz OOWGAOYVUZESMZ-FGWVZKOKSA-N -1 1 360.432 2.686 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1 ZINC000921718065 738031723 /nfs/dbraw/zinc/03/17/23/738031723.db2.gz UAWBFAPOUWLXFT-IUCAKERBSA-N -1 1 350.849 2.811 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCS1 ZINC000921718068 738031748 /nfs/dbraw/zinc/03/17/48/738031748.db2.gz UAWBFAPOUWLXFT-RKDXNWHRSA-N -1 1 350.849 2.811 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC1CC1 ZINC000795865885 740073650 /nfs/dbraw/zinc/07/36/50/740073650.db2.gz OKBBYBKIKDEBBE-UHFFFAOYSA-N -1 1 367.196 2.575 20 5 FFBDMM CC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1 ZINC000795899016 740077262 /nfs/dbraw/zinc/07/72/62/740077262.db2.gz QFGCGLXGTGHQLU-UHFFFAOYSA-N -1 1 367.196 2.717 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000799529895 740427398 /nfs/dbraw/zinc/42/73/98/740427398.db2.gz SNFILFMDLKAWAD-UHFFFAOYSA-N -1 1 362.342 2.720 20 5 FFBDMM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832459 741351055 /nfs/dbraw/zinc/35/10/55/741351055.db2.gz PGSCXLPBSCPPEH-JMCQJSRRSA-N -1 1 369.226 2.747 20 5 FFBDMM CSC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809840209 741352303 /nfs/dbraw/zinc/35/23/03/741352303.db2.gz QRGAUQLQNIAQFO-UHFFFAOYSA-N -1 1 354.812 2.561 20 5 FFBDMM COCC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000813744409 741758003 /nfs/dbraw/zinc/75/80/03/741758003.db2.gz KIAZSVMEMARVJF-UHFFFAOYSA-N -1 1 371.242 2.853 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000815078390 741897036 /nfs/dbraw/zinc/89/70/36/741897036.db2.gz BIJANLAOKCQRPV-NSHDSACASA-N -1 1 369.226 2.605 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c([N+](=O)[O-])c1 ZINC000830105211 745307677 /nfs/dbraw/zinc/30/76/77/745307677.db2.gz FYPIUVVEBQYXPX-UHFFFAOYSA-N -1 1 355.372 2.504 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1Cl ZINC000830195023 745321837 /nfs/dbraw/zinc/32/18/37/745321837.db2.gz ILRBSVNHCQQNDG-QMMMGPOBSA-N -1 1 369.226 2.749 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000831631950 745557544 /nfs/dbraw/zinc/55/75/44/745557544.db2.gz OYGRILAABGZZHX-JTQLQIEISA-N -1 1 369.226 2.605 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000831728734 745576292 /nfs/dbraw/zinc/57/62/92/745576292.db2.gz JSOKNULBYHEAJV-QMMMGPOBSA-N -1 1 373.175 2.679 20 5 FFBDMM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832030531 745623611 /nfs/dbraw/zinc/62/36/11/745623611.db2.gz MXAXUGIZLIMKET-ZETCQYMHSA-N -1 1 371.242 2.729 20 5 FFBDMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000841523806 747383081 /nfs/dbraw/zinc/38/30/81/747383081.db2.gz DFKZMISFSBWNCM-SNVBAGLBSA-N -1 1 362.835 2.732 20 5 FFBDMM COCC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000848478026 748937091 /nfs/dbraw/zinc/93/70/91/748937091.db2.gz FCINGFUHWNIGEH-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000851847532 749702120 /nfs/dbraw/zinc/70/21/20/749702120.db2.gz UJCWULYKMYSBAZ-CYBMUJFWSA-N -1 1 360.407 2.608 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCc2cc(F)ccc21 ZINC000826497281 948411815 /nfs/dbraw/zinc/41/18/15/948411815.db2.gz AVRAZUPEBXUFKH-CYBMUJFWSA-N -1 1 355.333 2.799 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCc2cc(F)ccc21 ZINC000826497281 948411817 /nfs/dbraw/zinc/41/18/17/948411817.db2.gz AVRAZUPEBXUFKH-CYBMUJFWSA-N -1 1 355.333 2.799 20 5 FFBDMM CNc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1[N+](=O)[O-] ZINC000009924343 1013312285 /nfs/dbraw/zinc/31/22/85/1013312285.db2.gz XNJGNZIFRDMMLH-UHFFFAOYSA-N -1 1 370.317 2.806 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)cc1F ZINC001211611901 967964646 /nfs/dbraw/zinc/96/46/46/967964646.db2.gz OWDLFBHEBMTFEL-UKRRQHHQSA-N -1 1 374.434 2.914 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC001212483092 987640412 /nfs/dbraw/zinc/64/04/12/987640412.db2.gz PWGMBTVTYACFBA-JTQLQIEISA-N -1 1 355.803 2.725 20 5 FFBDMM O=C([O-])c1cc(NC2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000917085771 990129364 /nfs/dbraw/zinc/12/93/64/990129364.db2.gz CNGOCNQMEJSGJX-UHFFFAOYSA-N -1 1 356.382 2.765 20 5 FFBDMM CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184109213 1002490780 /nfs/dbraw/zinc/49/07/80/1002490780.db2.gz RGAPSNKIKRTJMG-ZDUSSCGKSA-N -1 1 368.393 2.938 20 5 FFBDMM C[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC001129760304 1003756514 /nfs/dbraw/zinc/75/65/14/1003756514.db2.gz ZWTBYXFKGKUNCS-SECBINFHSA-N -1 1 360.345 2.851 20 5 FFBDMM CCOc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC001195677451 1005012566 /nfs/dbraw/zinc/01/25/66/1005012566.db2.gz MRJDUZPEHGDQSL-UHFFFAOYSA-N -1 1 368.386 2.654 20 5 FFBDMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC001189221779 1006957635 /nfs/dbraw/zinc/95/76/35/1006957635.db2.gz YKAHGVYPYSQHIZ-UHFFFAOYSA-N -1 1 356.350 2.968 20 5 FFBDMM O=C1CC[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CN1CC1CCCC1 ZINC000856578297 1007895245 /nfs/dbraw/zinc/89/52/45/1007895245.db2.gz VFCKOMQLTGLVOT-LBPRGKRZSA-N -1 1 359.386 2.869 20 5 FFBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071803 1019475723 /nfs/dbraw/zinc/47/57/23/1019475723.db2.gz LIBOEHMOSCVWOJ-UHFFFAOYSA-N -1 1 359.250 2.707 20 5 FFBDMM O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071003 1019487854 /nfs/dbraw/zinc/48/78/54/1019487854.db2.gz BIAAWIUKNLBICB-MRXNPFEDSA-N -1 1 356.334 2.653 20 5 FFBDMM O=C(OCc1cnn(Cc2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074841 1019515146 /nfs/dbraw/zinc/51/51/46/1019515146.db2.gz KSPFMDLMAOKRHO-UHFFFAOYSA-N -1 1 353.334 2.902 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000780074613 1019579191 /nfs/dbraw/zinc/57/91/91/1019579191.db2.gz GXYPJDIEQMIIMI-LRDDRELGSA-N -1 1 362.382 2.638 20 5 FFBDMM CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075189 1019598018 /nfs/dbraw/zinc/59/80/18/1019598018.db2.gz JKIJAOCCZQQOCE-MRXNPFEDSA-N -1 1 359.334 2.632 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(F)c2Br)no1 ZINC001212893032 1027199614 /nfs/dbraw/zinc/19/96/14/1027199614.db2.gz JFKQUCVBUZRGNW-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccccc1Cl ZINC001160919581 1027924626 /nfs/dbraw/zinc/92/46/26/1027924626.db2.gz GTKQVHPYBWNPPG-NSHDSACASA-N -1 1 365.773 2.936 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc3nc4ccccc4nc32)n1 ZINC001153864857 1028033547 /nfs/dbraw/zinc/03/35/47/1028033547.db2.gz QVTHTZSHBAJRAO-UHFFFAOYSA-N -1 1 361.361 2.935 20 5 FFBDMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001162290796 1028492390 /nfs/dbraw/zinc/49/23/90/1028492390.db2.gz INRTYGZUKVXYFA-CQSZACIVSA-N -1 1 363.276 2.710 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001534728584 1069677690 /nfs/dbraw/zinc/67/76/90/1069677690.db2.gz WYRVBNQUWVRWPL-KBPBESRZSA-N -1 1 371.349 2.654 20 5 FFBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCc1c(F)cc([O-])cc1F ZINC001224379275 1033865216 /nfs/dbraw/zinc/86/52/16/1033865216.db2.gz RIPVKRSOMIUNGC-UHFFFAOYSA-N -1 1 365.336 2.663 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225662119 1034354804 /nfs/dbraw/zinc/35/48/04/1034354804.db2.gz QTVBQGZDJPAMBG-LLVKDONJSA-N -1 1 353.375 2.864 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])[C@H](F)C1 ZINC001225660849 1034355550 /nfs/dbraw/zinc/35/55/50/1034355550.db2.gz HJUWWURBNNJNEV-ZYHUDNBSSA-N -1 1 371.365 2.812 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC[C@H](C)Oc1ccccc1 ZINC001226311492 1034625502 /nfs/dbraw/zinc/62/55/02/1034625502.db2.gz WTYJREAVGXPYNV-NSHDSACASA-N -1 1 362.338 2.718 20 5 FFBDMM CCCC(=O)[C@@H](CCC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226311510 1034625532 /nfs/dbraw/zinc/62/55/32/1034625532.db2.gz XGGNPZDWPFZGIT-GFCCVEGCSA-N -1 1 354.359 2.789 20 5 FFBDMM C[C@H]1OCc2c1nc(=O)[n-]c2OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001227709228 1035687689 /nfs/dbraw/zinc/68/76/89/1035687689.db2.gz BWVQZMBDWPDYSF-LLVKDONJSA-N -1 1 372.381 2.729 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC001229396221 1036650104 /nfs/dbraw/zinc/65/01/04/1036650104.db2.gz RKOZGCRLPHJWFZ-QGZVFWFLSA-N -1 1 358.394 2.970 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC(=O)C1 ZINC001229398161 1036651247 /nfs/dbraw/zinc/65/12/47/1036651247.db2.gz QXHVPTANXVABNB-CYBMUJFWSA-N -1 1 366.370 2.648 20 5 FFBDMM O=C(Cc1ccc(O)cc1)c1ccc([O-])cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001229427552 1036667035 /nfs/dbraw/zinc/66/70/35/1036667035.db2.gz TWAQRANBHRDOIR-IBGZPJMESA-N -1 1 357.362 2.957 20 5 FFBDMM CN1[C@@H]2C[C@H](Oc3ccc4c(c3)oc3cc([O-])ccc3c4=O)[C@H]1CC(=O)C2 ZINC001229516199 1036716396 /nfs/dbraw/zinc/71/63/96/1036716396.db2.gz ILPMFEAGUCIYOU-DHFGEULSSA-N -1 1 365.385 2.835 20 5 FFBDMM C[C@@H]1COCC[C@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234748724 1037164033 /nfs/dbraw/zinc/16/40/33/1037164033.db2.gz JRCJQDLBOTXFLH-YMTOWFKASA-N -1 1 358.346 2.867 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(O[C@H]4CCCOC4)cc([O-])cc3oc21 ZINC001234750394 1037166914 /nfs/dbraw/zinc/16/69/14/1037166914.db2.gz ZZLHWGZGEOIERX-NSHDSACASA-N -1 1 358.346 2.924 20 5 FFBDMM C[C@H](c1ccccn1)N1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223553 1037505499 /nfs/dbraw/zinc/50/54/99/1037505499.db2.gz HBLRNZZMAWEHHM-VXGBXAGGSA-N -1 1 374.353 2.818 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2F)n1 ZINC001231260069 1037513310 /nfs/dbraw/zinc/51/33/10/1037513310.db2.gz RDWSBGFRGDNZTC-JQWIXIFHSA-N -1 1 371.365 2.730 20 5 FFBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)NCCc1c(F)cc([O-])cc1F ZINC001231356234 1037545573 /nfs/dbraw/zinc/54/55/73/1037545573.db2.gz OVDWCRJUEUXFJF-UHFFFAOYSA-N -1 1 365.336 2.663 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001208000780 1037931623 /nfs/dbraw/zinc/93/16/23/1037931623.db2.gz KCSJZDNAPNAUGU-NSHDSACASA-N -1 1 360.395 2.521 20 5 FFBDMM CC(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC001537168442 1070136114 /nfs/dbraw/zinc/13/61/14/1070136114.db2.gz IKXLDZWTQKORMW-UHFFFAOYSA-N -1 1 350.356 2.593 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(F)cc1[N+](=O)[O-] ZINC001211412495 1040170103 /nfs/dbraw/zinc/17/01/03/1040170103.db2.gz SVKOCJPEWAPDEC-UHFFFAOYSA-N -1 1 352.334 2.899 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC2(CCC2)O1 ZINC001213514585 1040628051 /nfs/dbraw/zinc/62/80/51/1040628051.db2.gz FVLLDDRFXOESFL-JTQLQIEISA-N -1 1 360.819 2.628 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC(C)CC1 ZINC001309466829 1043402097 /nfs/dbraw/zinc/40/20/97/1043402097.db2.gz NNTFGNWQCCTVAM-UHFFFAOYSA-N -1 1 374.434 2.916 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)cc1F ZINC001309570090 1043440456 /nfs/dbraw/zinc/44/04/56/1043440456.db2.gz KPVCHGIZXLZJKT-VIFPVBQESA-N -1 1 357.338 2.616 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC001329805298 1048919090 /nfs/dbraw/zinc/91/90/90/1048919090.db2.gz GXOSAHLSYPVNHH-OAHLLOKOSA-N -1 1 365.386 2.949 20 5 FFBDMM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001329899570 1048960364 /nfs/dbraw/zinc/96/03/64/1048960364.db2.gz WHDLXUZRKPXKSX-YUMQZZPRSA-N -1 1 369.226 2.747 20 5 FFBDMM COc1ccc2nc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC001296767464 1050092020 /nfs/dbraw/zinc/09/20/20/1050092020.db2.gz JHHCRAHHLKLKSF-VIFPVBQESA-N -1 1 356.338 2.676 20 5 FFBDMM COc1cccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)c1[N+](=O)[O-] ZINC001299813591 1050613918 /nfs/dbraw/zinc/61/39/18/1050613918.db2.gz MATWBTJSGGXAIA-UHFFFAOYSA-N -1 1 362.342 2.534 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001309432760 1052618268 /nfs/dbraw/zinc/61/82/68/1052618268.db2.gz XHKBFSQDJAEYDI-UHFFFAOYSA-N -1 1 358.313 2.909 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccnc(Cl)c1 ZINC001475493799 1061113411 /nfs/dbraw/zinc/11/34/11/1061113411.db2.gz YKVKBUNIZIDLIQ-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(Cl)cc21 ZINC001475546472 1061134599 /nfs/dbraw/zinc/13/45/99/1061134599.db2.gz PEQFMQQWONIDMF-GFCCVEGCSA-N -1 1 353.787 2.609 20 5 FFBDMM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335184 1078465548 /nfs/dbraw/zinc/46/55/48/1078465548.db2.gz NCUSJOBZSXJLAX-NWDGAFQWSA-N -1 1 364.431 2.986 20 5 FFBDMM CCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C12CCCC2 ZINC001578335184 1078465551 /nfs/dbraw/zinc/46/55/51/1078465551.db2.gz NCUSJOBZSXJLAX-NWDGAFQWSA-N -1 1 364.431 2.986 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC001561743667 1076415917 /nfs/dbraw/zinc/41/59/17/1076415917.db2.gz MJHQMSFOCJVHEI-BBBLOLIVSA-N -1 1 364.345 2.754 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCCO1 ZINC001561981244 1076459345 /nfs/dbraw/zinc/45/93/45/1076459345.db2.gz ROXFCMJSWJAMFJ-ZDUSSCGKSA-N -1 1 366.798 2.625 20 5 FFBDMM C[C@H](CC(N)=O)c1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001574573394 1078022581 /nfs/dbraw/zinc/02/25/81/1078022581.db2.gz KKTRJSVPZJPPDH-MRVPVSSYSA-N -1 1 373.398 2.559 20 5 FFBDMM C[C@H](CC(N)=O)c1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001574573394 1078022584 /nfs/dbraw/zinc/02/25/84/1078022584.db2.gz KKTRJSVPZJPPDH-MRVPVSSYSA-N -1 1 373.398 2.559 20 5 FFBDMM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001589321459 1080482096 /nfs/dbraw/zinc/48/20/96/1080482096.db2.gz CSOOJAZBFXCKEP-UHFFFAOYSA-N -1 1 354.370 2.505 20 5 FFBDMM CC(C)CCOC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001589606804 1080631948 /nfs/dbraw/zinc/63/19/48/1080631948.db2.gz JSBBTPOCCGOBIB-UHFFFAOYSA-N -1 1 360.418 2.806 20 5 FFBDMM C[C@@H](COc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589884834 1080831590 /nfs/dbraw/zinc/83/15/90/1080831590.db2.gz IOPIXRBHYKGRAZ-QMMMGPOBSA-N -1 1 364.362 2.855 20 5 FFBDMM C[C@@H](COc1cccc(F)c1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589884834 1080831594 /nfs/dbraw/zinc/83/15/94/1080831594.db2.gz IOPIXRBHYKGRAZ-QMMMGPOBSA-N -1 1 364.362 2.855 20 5 FFBDMM CC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC2(CC1)OCCO2 ZINC001590134035 1081039721 /nfs/dbraw/zinc/03/97/21/1081039721.db2.gz LLGIBLNUGVMIAS-UHFFFAOYSA-N -1 1 374.401 2.510 20 5 FFBDMM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590218209 1081100909 /nfs/dbraw/zinc/10/09/09/1081100909.db2.gz GQLZDVJDUJSCCK-KCJUWKMLSA-N -1 1 355.358 2.686 20 5 FFBDMM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590218209 1081100913 /nfs/dbraw/zinc/10/09/13/1081100913.db2.gz GQLZDVJDUJSCCK-KCJUWKMLSA-N -1 1 355.358 2.686 20 5 FFBDMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000102889623 250126401 /nfs/dbraw/zinc/12/64/01/250126401.db2.gz GUGOXQOKSOHJTG-UHFFFAOYSA-N -1 1 374.235 2.509 20 5 FFBDMM COc1cccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000377472005 512283737 /nfs/dbraw/zinc/28/37/37/512283737.db2.gz MMDOGMXWXMLFJR-UHFFFAOYSA-N -1 1 355.350 2.634 20 5 FFBDMM CC(C)n1c(CCNC(=O)C=Cc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000067073538 506748200 /nfs/dbraw/zinc/74/82/00/506748200.db2.gz XPGNQQQPNPVUHY-BQYQJAHWSA-N -1 1 361.427 2.802 20 5 FFBDMM CCn1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000068453917 507237480 /nfs/dbraw/zinc/23/74/80/507237480.db2.gz FJXVLARPEPJXSO-UHFFFAOYSA-N -1 1 361.427 2.889 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1C ZINC000071081900 507694700 /nfs/dbraw/zinc/69/47/00/507694700.db2.gz NNEBKQHRDCXIDN-UHFFFAOYSA-N -1 1 361.379 2.507 20 5 FFBDMM COc1cc(F)c([N+](=O)[O-])c(NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000092651763 508090245 /nfs/dbraw/zinc/09/02/45/508090245.db2.gz GRPYDVLMHDOZNM-UHFFFAOYSA-N -1 1 353.379 2.986 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1[N+](=O)[O-] ZINC000157917561 508632113 /nfs/dbraw/zinc/63/21/13/508632113.db2.gz YDCVBQOGVORDKJ-UHFFFAOYSA-N -1 1 361.379 2.589 20 5 FFBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Br)c([O-])c1 ZINC000136457146 508696059 /nfs/dbraw/zinc/69/60/59/508696059.db2.gz ZSNNNJUQBKSMFJ-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000120230622 508954634 /nfs/dbraw/zinc/95/46/34/508954634.db2.gz HTFQZGOZERDHCP-UHFFFAOYSA-N -1 1 364.851 2.858 20 5 FFBDMM Cc1c(=O)[n-]c(SCCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1 ZINC000163947135 509444729 /nfs/dbraw/zinc/44/47/29/509444729.db2.gz SVEFHEWAMUWKRN-UHFFFAOYSA-N -1 1 357.395 2.642 20 5 FFBDMM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182832159 509447912 /nfs/dbraw/zinc/44/79/12/509447912.db2.gz FMNIWVBYIUFSQF-KGLIPLIRSA-N -1 1 363.757 2.609 20 5 FFBDMM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)c1n[nH]cc1[N+](=O)[O-] ZINC000179463144 509455285 /nfs/dbraw/zinc/45/52/85/509455285.db2.gz NHLJSGXFMYXGSW-UHFFFAOYSA-N -1 1 365.252 2.827 20 5 FFBDMM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164039358 509456065 /nfs/dbraw/zinc/45/60/65/509456065.db2.gz ZVDABSGINSXEDQ-AWEZNQCLSA-N -1 1 361.423 2.929 20 5 FFBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000176897534 509751854 /nfs/dbraw/zinc/75/18/54/509751854.db2.gz CNQVRISAAYSXRO-UWVGGRQHSA-N -1 1 350.487 2.999 20 5 FFBDMM COc1ccc2cc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2c1 ZINC000186829822 509907886 /nfs/dbraw/zinc/90/78/86/509907886.db2.gz LHDROOILWDAWNW-UHFFFAOYSA-N -1 1 353.334 2.787 20 5 FFBDMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187113976 510064577 /nfs/dbraw/zinc/06/45/77/510064577.db2.gz AKTLDHUBNCNTLP-GFCCVEGCSA-N -1 1 373.340 2.570 20 5 FFBDMM Cn1cc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(Cl)cc21 ZINC000187194471 510115513 /nfs/dbraw/zinc/11/55/13/510115513.db2.gz QUSSODIIFLGNSO-UHFFFAOYSA-N -1 1 374.784 2.813 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000187426516 510258992 /nfs/dbraw/zinc/25/89/92/510258992.db2.gz HYHKQKHHFXMPKL-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM Cc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181080251 510269734 /nfs/dbraw/zinc/26/97/34/510269734.db2.gz PHBJOHGQENTXLQ-UHFFFAOYSA-N -1 1 367.358 2.666 20 5 FFBDMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175702056 510743384 /nfs/dbraw/zinc/74/33/84/510743384.db2.gz RPJDUYRHXYYXOY-ZJUUUORDSA-N -1 1 350.487 2.999 20 5 FFBDMM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000297261342 510877144 /nfs/dbraw/zinc/87/71/44/510877144.db2.gz YTAIGYJQSAMGAW-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM CC(C)(CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295268027 511343618 /nfs/dbraw/zinc/34/36/18/511343618.db2.gz RVGOCPWHPSIXLR-UHFFFAOYSA-N -1 1 371.242 2.589 20 5 FFBDMM C[C@H](CCCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295459291 511412376 /nfs/dbraw/zinc/41/23/76/511412376.db2.gz ZOHAHONDOTYHRI-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCSC2)c1Cl ZINC000295830349 511528730 /nfs/dbraw/zinc/52/87/30/511528730.db2.gz CJCBOTRYJQYSCM-SSDOTTSWSA-N -1 1 371.267 2.933 20 5 FFBDMM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302952306 511721540 /nfs/dbraw/zinc/72/15/40/511721540.db2.gz KKJZAJQHMDJYHF-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM O=C(N[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)C1CC1)c1ccccc1 ZINC000350353178 511788029 /nfs/dbraw/zinc/78/80/29/511788029.db2.gz MLFYDFIECJORIO-AWEZNQCLSA-N -1 1 353.338 2.854 20 5 FFBDMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274872628 511972285 /nfs/dbraw/zinc/97/22/85/511972285.db2.gz FIYRHIYNGPVNJV-NSHDSACASA-N -1 1 372.381 2.610 20 5 FFBDMM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000435431308 513583235 /nfs/dbraw/zinc/58/32/35/513583235.db2.gz CQLJDADEBSTZOJ-QWHCGFSZSA-N -1 1 368.436 2.889 20 5 FFBDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000436162284 513778906 /nfs/dbraw/zinc/77/89/06/513778906.db2.gz RFSOHOUBMMKUTO-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000416504947 513805745 /nfs/dbraw/zinc/80/57/45/513805745.db2.gz ZGTNJOQGBZBDLA-SNVBAGLBSA-N -1 1 362.835 2.732 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000436506864 513876842 /nfs/dbraw/zinc/87/68/42/513876842.db2.gz VBDWRHOSVCUATH-UHFFFAOYSA-N -1 1 360.322 2.656 20 5 FFBDMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000427115742 514121370 /nfs/dbraw/zinc/12/13/70/514121370.db2.gz CSIHLIVDGREPLD-UHFFFAOYSA-N -1 1 370.427 2.768 20 5 FFBDMM Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432200368 514123516 /nfs/dbraw/zinc/12/35/16/514123516.db2.gz GTABWFUIGWMFOZ-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CCO[C@H](C)c1nc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000445000621 514385222 /nfs/dbraw/zinc/38/52/22/514385222.db2.gz ZNPKZTAKTXJECO-SECBINFHSA-N -1 1 366.399 2.522 20 5 FFBDMM COc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508226581 514714970 /nfs/dbraw/zinc/71/49/70/514714970.db2.gz OWZSHNUEUHFHPD-UHFFFAOYSA-N -1 1 356.331 2.557 20 5 FFBDMM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000461861428 514759003 /nfs/dbraw/zinc/75/90/03/514759003.db2.gz FSKNQOWHLYHYHJ-OAHLLOKOSA-N -1 1 371.397 2.814 20 5 FFBDMM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000484735302 514774167 /nfs/dbraw/zinc/77/41/67/514774167.db2.gz IWSSSCKFGDVVTO-ZDUSSCGKSA-N -1 1 369.299 2.989 20 5 FFBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1F ZINC000484951664 514854533 /nfs/dbraw/zinc/85/45/33/514854533.db2.gz HPTKBKOSZSGTAR-UHFFFAOYSA-N -1 1 350.253 2.943 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000476401289 515034598 /nfs/dbraw/zinc/03/45/98/515034598.db2.gz ZGHHKWDEYPMPIY-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000469396868 515798341 /nfs/dbraw/zinc/79/83/41/515798341.db2.gz CRNDIBNJOUDMCD-CHWSQXEVSA-N -1 1 358.464 2.694 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000506721808 515963834 /nfs/dbraw/zinc/96/38/34/515963834.db2.gz ITJBJDMPMIZPCR-UHFFFAOYSA-N -1 1 353.382 2.723 20 5 FFBDMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000479114904 516063518 /nfs/dbraw/zinc/06/35/18/516063518.db2.gz MESIERPRLHPDKN-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C(=O)[O-])c1 ZINC000507570046 516247291 /nfs/dbraw/zinc/24/72/91/516247291.db2.gz XNXYWAWLRMPDPR-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561562412 516655156 /nfs/dbraw/zinc/65/51/56/516655156.db2.gz SDBKZIKHEAXZLB-BJOHPYRUSA-N -1 1 352.343 2.534 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)Cc2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000548557712 517052814 /nfs/dbraw/zinc/05/28/14/517052814.db2.gz NAFQHEFGAUENMA-UHFFFAOYSA-N -1 1 372.305 2.513 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000525642371 517098153 /nfs/dbraw/zinc/09/81/53/517098153.db2.gz MWNPBHSZVOVSCH-GFCCVEGCSA-N -1 1 353.787 2.609 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N2CCCC2)o1 ZINC000537730677 517315060 /nfs/dbraw/zinc/31/50/60/517315060.db2.gz PRLFUFCMYMLESC-CQSZACIVSA-N -1 1 359.382 2.769 20 5 FFBDMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000538004107 517434065 /nfs/dbraw/zinc/43/40/65/517434065.db2.gz HWZNMYDKKIXHST-UHFFFAOYSA-N -1 1 364.379 2.632 20 5 FFBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000553570545 517788720 /nfs/dbraw/zinc/78/87/20/517788720.db2.gz YIJRLVOFHFRGDH-VXJOIVPMSA-N -1 1 370.333 2.674 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000538849595 517807334 /nfs/dbraw/zinc/80/73/34/517807334.db2.gz LHDRCZFRJFYMDD-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM O=C(NCCOc1cccc(Cl)c1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000581765210 518443269 /nfs/dbraw/zinc/44/32/69/518443269.db2.gz LXXNFEHZHCRCML-UHFFFAOYSA-N -1 1 372.164 2.811 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000584814508 518488390 /nfs/dbraw/zinc/48/83/90/518488390.db2.gz RARWRNMBIBXXHA-TZMCWYRMSA-N -1 1 365.386 2.744 20 5 FFBDMM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000570594589 518684813 /nfs/dbraw/zinc/68/48/13/518684813.db2.gz PWXXRNHWCKVPPQ-KRWDZBQOSA-N -1 1 361.423 2.680 20 5 FFBDMM CC[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000565033965 518752263 /nfs/dbraw/zinc/75/22/63/518752263.db2.gz BUJPVPKUAAMXAM-HNNXBMFYSA-N -1 1 370.409 2.789 20 5 FFBDMM COc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000567898234 518773884 /nfs/dbraw/zinc/77/38/84/518773884.db2.gz GHQXTHQXDRZOQL-MWLCHTKSSA-N -1 1 374.340 2.747 20 5 FFBDMM COc1cc(CN2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000569111683 519384406 /nfs/dbraw/zinc/38/44/06/519384406.db2.gz XCPGXHZFFPEQRC-NSHDSACASA-N -1 1 374.340 2.686 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000600178558 520102769 /nfs/dbraw/zinc/10/27/69/520102769.db2.gz KZZAQBUILHOYRU-UHFFFAOYSA-N -1 1 361.329 2.518 20 5 FFBDMM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000592086699 520173239 /nfs/dbraw/zinc/17/32/39/520173239.db2.gz TWMKEMOMMHTGJB-AOOOYVTPSA-N -1 1 362.835 2.873 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)s1 ZINC000594839487 520182769 /nfs/dbraw/zinc/18/27/69/520182769.db2.gz BIEYKRLYWBVFMX-UHFFFAOYSA-N -1 1 372.399 2.815 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000609134396 520201279 /nfs/dbraw/zinc/20/12/79/520201279.db2.gz XMYCWYCHOPXRDV-QMMMGPOBSA-N -1 1 363.233 2.682 20 5 FFBDMM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CO1 ZINC000597935377 520336734 /nfs/dbraw/zinc/33/67/34/520336734.db2.gz SZQOZWVTMGNQAU-OAHLLOKOSA-N -1 1 371.393 2.905 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2n1 ZINC000610032510 520513236 /nfs/dbraw/zinc/51/32/36/520513236.db2.gz IZDQUCNDKOBQNR-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000611106156 520985947 /nfs/dbraw/zinc/98/59/47/520985947.db2.gz VAHYAJKANWXWJC-SSDOTTSWSA-N -1 1 364.836 2.566 20 5 FFBDMM COc1ccc(C[C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000593827355 521235105 /nfs/dbraw/zinc/23/51/05/521235105.db2.gz DCIPTVNLOFSKRE-HNNXBMFYSA-N -1 1 371.393 2.941 20 5 FFBDMM COc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619468071 521583688 /nfs/dbraw/zinc/58/36/88/521583688.db2.gz VQNLDFUFEDXZRI-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM COc1cc(C(=O)[N-]c2nnc(C(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000025323509 536540992 /nfs/dbraw/zinc/54/09/92/536540992.db2.gz CEKZSZCRVUTESI-UHFFFAOYSA-N -1 1 352.372 2.839 20 5 FFBDMM O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N=c1ccc([O-])n[nH]1 ZINC000484468463 561298266 /nfs/dbraw/zinc/29/82/66/561298266.db2.gz BRVBJFIIUGEGLA-UHFFFAOYSA-N -1 1 374.300 2.840 20 5 FFBDMM O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N=c1ccc(O)n[n-]1 ZINC000484468463 561298267 /nfs/dbraw/zinc/29/82/67/561298267.db2.gz BRVBJFIIUGEGLA-UHFFFAOYSA-N -1 1 374.300 2.840 20 5 FFBDMM CC(C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)[O-] ZINC000824011679 603577126 /nfs/dbraw/zinc/57/71/26/603577126.db2.gz YWDWQALJDMLRMS-UHFFFAOYSA-N -1 1 350.400 2.854 20 5 FFBDMM Cc1nn(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920025 605628325 /nfs/dbraw/zinc/62/83/25/605628325.db2.gz DBKUUSSCFKKVNC-DGCLKSJQSA-N -1 1 361.402 2.579 20 5 FFBDMM Cc1nn(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920025 605628328 /nfs/dbraw/zinc/62/83/28/605628328.db2.gz DBKUUSSCFKKVNC-DGCLKSJQSA-N -1 1 361.402 2.579 20 5 FFBDMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822229017 606448835 /nfs/dbraw/zinc/44/88/35/606448835.db2.gz KRFKSUGANHIOKC-SECBINFHSA-N -1 1 358.383 2.636 20 5 FFBDMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822229017 606448837 /nfs/dbraw/zinc/44/88/37/606448837.db2.gz KRFKSUGANHIOKC-SECBINFHSA-N -1 1 358.383 2.636 20 5 FFBDMM O=[N+]([O-])c1cc(NC[C@H]2CCN(c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000823634175 606645211 /nfs/dbraw/zinc/64/52/11/606645211.db2.gz BRRJUNRHTDRPDC-CYBMUJFWSA-N -1 1 365.397 2.713 20 5 FFBDMM CC(C)OCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820145568 606702914 /nfs/dbraw/zinc/70/29/14/606702914.db2.gz AHNDEPJLLWGAEK-UHFFFAOYSA-N -1 1 355.358 2.839 20 5 FFBDMM CC(C)OCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820145568 606702916 /nfs/dbraw/zinc/70/29/16/606702916.db2.gz AHNDEPJLLWGAEK-UHFFFAOYSA-N -1 1 355.358 2.839 20 5 FFBDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820668457 606711885 /nfs/dbraw/zinc/71/18/85/606711885.db2.gz SSWAJNBMHKNYTB-PWSUYJOCSA-N -1 1 369.360 2.691 20 5 FFBDMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820668457 606711887 /nfs/dbraw/zinc/71/18/87/606711887.db2.gz SSWAJNBMHKNYTB-PWSUYJOCSA-N -1 1 369.360 2.691 20 5 FFBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Sc1ccccc1 ZINC000820281935 606712753 /nfs/dbraw/zinc/71/27/53/606712753.db2.gz ZKRSZVCCIAAUOI-SNVBAGLBSA-N -1 1 357.399 2.763 20 5 FFBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Sc1ccccc1 ZINC000820281935 606712754 /nfs/dbraw/zinc/71/27/54/606712754.db2.gz ZKRSZVCCIAAUOI-SNVBAGLBSA-N -1 1 357.399 2.763 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H](c1ccccc1)c1ccccn1 ZINC000823620713 607163418 /nfs/dbraw/zinc/16/34/18/607163418.db2.gz OSILTBKZLSBVFU-OAHLLOKOSA-N -1 1 374.364 2.766 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H](c1ccccc1)c1ccccn1 ZINC000823620713 607163419 /nfs/dbraw/zinc/16/34/19/607163419.db2.gz OSILTBKZLSBVFU-OAHLLOKOSA-N -1 1 374.364 2.766 20 5 FFBDMM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152359261 728756814 /nfs/dbraw/zinc/75/68/14/728756814.db2.gz LBRDTIYMUPXEJV-VIFPVBQESA-N -1 1 372.399 2.735 20 5 FFBDMM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000745943412 735453223 /nfs/dbraw/zinc/45/32/23/735453223.db2.gz IIMBEZMDJMYHBJ-GXTWGEPZSA-N -1 1 362.835 2.730 20 5 FFBDMM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119471170 728594779 /nfs/dbraw/zinc/59/47/79/728594779.db2.gz LXTNIHLKRDSNQW-CQSZACIVSA-N -1 1 370.814 2.569 20 5 FFBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C ZINC000119791739 728600593 /nfs/dbraw/zinc/60/05/93/728600593.db2.gz FMBJJZROFODOMQ-UHFFFAOYSA-N -1 1 361.470 2.943 20 5 FFBDMM CC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000123847681 728663199 /nfs/dbraw/zinc/66/31/99/728663199.db2.gz WLNJRAIKNMKVLF-UHFFFAOYSA-N -1 1 350.371 2.570 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000867735993 731218456 /nfs/dbraw/zinc/21/84/56/731218456.db2.gz JECFGQBYKAYPMN-RISCZKNCSA-N -1 1 374.846 2.732 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CCC1 ZINC000867879691 731237613 /nfs/dbraw/zinc/23/76/13/731237613.db2.gz SLAWQXDGFUZCCI-ZDUSSCGKSA-N -1 1 358.391 2.504 20 5 FFBDMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000733869532 734854590 /nfs/dbraw/zinc/85/45/90/734854590.db2.gz WPSDDFNCCAZMEH-UHFFFAOYSA-N -1 1 353.375 2.596 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000742313210 735225560 /nfs/dbraw/zinc/22/55/60/735225560.db2.gz PBGCBYPOSIJHAK-ZLKJLUDKSA-N -1 1 374.846 2.730 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000742337973 735230154 /nfs/dbraw/zinc/23/01/54/735230154.db2.gz INNFIRFBGMJGMU-GFCCVEGCSA-N -1 1 370.406 2.514 20 5 FFBDMM CN1CCC[C@H]([N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000748283055 735632705 /nfs/dbraw/zinc/63/27/05/735632705.db2.gz OXRFMYJAIJLDDC-QMMMGPOBSA-N -1 1 362.264 2.555 20 5 FFBDMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000751271689 735860047 /nfs/dbraw/zinc/86/00/47/735860047.db2.gz XESSOZQHRHEKHV-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000918193533 737798240 /nfs/dbraw/zinc/79/82/40/737798240.db2.gz KIAJKLPQQQHUOU-UHFFFAOYSA-N -1 1 368.386 3.000 20 5 FFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000775256803 738076738 /nfs/dbraw/zinc/07/67/38/738076738.db2.gz QLDXBEWWSOJIOQ-UHFFFAOYSA-N -1 1 350.381 2.588 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)cc1F ZINC000793349750 739771088 /nfs/dbraw/zinc/77/10/88/739771088.db2.gz VHYUWIJOTXLMEE-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1)OCO2 ZINC000794866286 739937607 /nfs/dbraw/zinc/93/76/07/739937607.db2.gz UWTAFTWMTHCVLV-UHFFFAOYSA-N -1 1 354.315 2.572 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CCC1 ZINC000795781802 740062894 /nfs/dbraw/zinc/06/28/94/740062894.db2.gz CWGLRDUMDZWVGY-UHFFFAOYSA-N -1 1 367.196 2.575 20 5 FFBDMM Cc1cc2cc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000796242379 740120391 /nfs/dbraw/zinc/12/03/91/740120391.db2.gz LFHDZFNXODQWIP-UHFFFAOYSA-N -1 1 351.409 2.925 20 5 FFBDMM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798176825 740309804 /nfs/dbraw/zinc/30/98/04/740309804.db2.gz VNYXJUAIKRJRCC-UHFFFAOYSA-N -1 1 355.148 2.863 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000798404291 740329044 /nfs/dbraw/zinc/32/90/44/740329044.db2.gz OVUAPHRZXJYXNX-UHFFFAOYSA-N -1 1 360.336 2.502 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000800930639 740567976 /nfs/dbraw/zinc/56/79/76/740567976.db2.gz PHRUAEKUYJBELM-UHFFFAOYSA-N -1 1 374.758 2.737 20 5 FFBDMM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809815296 741346857 /nfs/dbraw/zinc/34/68/57/741346857.db2.gz UGNJZYBXIVCVLX-UHFFFAOYSA-N -1 1 365.795 2.631 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809820823 741348365 /nfs/dbraw/zinc/34/83/65/741348365.db2.gz CXILSNZLLLPHSF-JTQLQIEISA-N -1 1 371.242 2.851 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809822845 741348812 /nfs/dbraw/zinc/34/88/12/741348812.db2.gz UGSGPPXUZVIKAO-LLVKDONJSA-N -1 1 371.242 2.851 20 5 FFBDMM CCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000809830280 741350172 /nfs/dbraw/zinc/35/01/72/741350172.db2.gz QODYRASOEJLFID-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1C ZINC000811831630 741564871 /nfs/dbraw/zinc/56/48/71/741564871.db2.gz FWLHSHQLHCOGNH-UHFFFAOYSA-N -1 1 358.807 2.882 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000814978882 741878260 /nfs/dbraw/zinc/87/82/60/741878260.db2.gz ZKZQSSMTDWCRHA-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841558814 747398504 /nfs/dbraw/zinc/39/85/04/747398504.db2.gz KJSRHVABMRXDFF-OTYXRUKQSA-N -1 1 362.835 2.730 20 5 FFBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000849436838 749152270 /nfs/dbraw/zinc/15/22/70/749152270.db2.gz UTUTUHFYRXMZCV-ZKCHVHJHSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1cc(C)cc([C@H]2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1 ZINC000826264693 947764601 /nfs/dbraw/zinc/76/46/01/947764601.db2.gz XCGYZIBMESJVTO-ZDUSSCGKSA-N -1 1 365.397 2.781 20 5 FFBDMM Cc1cc(C)cc([C@H]2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1 ZINC000826264693 947764605 /nfs/dbraw/zinc/76/46/05/947764605.db2.gz XCGYZIBMESJVTO-ZDUSSCGKSA-N -1 1 365.397 2.781 20 5 FFBDMM CN1CCN(c2ccccc2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001174504673 1013243750 /nfs/dbraw/zinc/24/37/50/1013243750.db2.gz XNGOJQGBIVJQJI-UHFFFAOYSA-N -1 1 356.382 2.788 20 5 FFBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000103201309 969934216 /nfs/dbraw/zinc/93/42/16/969934216.db2.gz QOGAPBFBUQVIHA-UHFFFAOYSA-N -1 1 372.272 2.680 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnn(-c2ccc(F)cc2)n1 ZINC000151609719 986780833 /nfs/dbraw/zinc/78/08/33/986780833.db2.gz XOLJWMJLGSOBET-UHFFFAOYSA-N -1 1 363.255 2.845 20 5 FFBDMM CC[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597349761 987487682 /nfs/dbraw/zinc/48/76/82/987487682.db2.gz XDVXPDDEZISZMV-HNNXBMFYSA-N -1 1 357.366 2.972 20 5 FFBDMM COc1cc(Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)ccc1[N+](=O)[O-] ZINC000762310453 988290259 /nfs/dbraw/zinc/29/02/59/988290259.db2.gz YSENJCGOSJRLTB-UHFFFAOYSA-N -1 1 371.305 2.679 20 5 FFBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1CC(=O)[O-] ZINC001599866507 989271944 /nfs/dbraw/zinc/27/19/44/989271944.db2.gz LJEIDPCZZUJZSX-NXEZZACHSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001593288242 994653114 /nfs/dbraw/zinc/65/31/14/994653114.db2.gz FURVKJAOEBZYDB-SSINHNECSA-N -1 1 362.407 2.881 20 5 FFBDMM CC(C)c1nsc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC001133190475 995383172 /nfs/dbraw/zinc/38/31/72/995383172.db2.gz OYHUTAFHVMQXSD-UHFFFAOYSA-N -1 1 350.356 2.593 20 5 FFBDMM CC(C)c1nc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n[nH]1 ZINC001144539682 998637329 /nfs/dbraw/zinc/63/73/29/998637329.db2.gz IEYIAYDADBNTQF-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CC(C)c1nnc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)[nH]1 ZINC001144539682 998637333 /nfs/dbraw/zinc/63/73/33/998637333.db2.gz IEYIAYDADBNTQF-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CCOC(=O)c1nc(Cl)nc([N-]C2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC001160821740 1000558976 /nfs/dbraw/zinc/55/89/76/1000558976.db2.gz PFICWPGZRSPIIA-UHFFFAOYSA-N -1 1 354.672 2.722 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnnn1C1CCCCC1 ZINC000787746808 1001715275 /nfs/dbraw/zinc/71/52/75/1001715275.db2.gz IYCDFQNRWNHFDF-SNVBAGLBSA-N -1 1 361.358 2.710 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C2(O)CCC2)CCC1 ZINC001194699584 1004785809 /nfs/dbraw/zinc/78/58/09/1004785809.db2.gz NDDULCZANXVZCQ-UHFFFAOYSA-N -1 1 374.846 2.612 20 5 FFBDMM Cc1cc(C(F)(F)F)nc2nn(-c3cc([O-])cc([N+](=O)[O-])c3)c(N)c21 ZINC001199801629 1005031473 /nfs/dbraw/zinc/03/14/73/1005031473.db2.gz FQLYMXRBDMOREF-UHFFFAOYSA-N -1 1 353.260 2.944 20 5 FFBDMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c1 ZINC000773991241 1010417694 /nfs/dbraw/zinc/41/76/94/1010417694.db2.gz VEPKPWZDVMMGOC-UHFFFAOYSA-N -1 1 355.350 2.770 20 5 FFBDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000801363931 1018886968 /nfs/dbraw/zinc/88/69/68/1018886968.db2.gz IVVJBRLNOSDBJN-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC1(c2ccccc2)CCC1 ZINC000780072235 1019490280 /nfs/dbraw/zinc/49/02/80/1019490280.db2.gz OEWGIAZAKDYKNH-UHFFFAOYSA-N -1 1 370.361 2.653 20 5 FFBDMM Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074116 1019560045 /nfs/dbraw/zinc/56/00/45/1019560045.db2.gz GYHHZXYCZXAMBD-CYBMUJFWSA-N -1 1 372.377 2.513 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ncccc12 ZINC000780075973 1019642885 /nfs/dbraw/zinc/64/28/85/1019642885.db2.gz NVZJDDBSTCTQHW-SECBINFHSA-N -1 1 355.306 2.605 20 5 FFBDMM COc1cc2c(cc1-c1noc(-c3[n-]cnc3[N+](=O)[O-])n1)CCCC2=O ZINC001212893336 1027201909 /nfs/dbraw/zinc/20/19/09/1027201909.db2.gz YTQRIKYYLVSHEQ-UHFFFAOYSA-N -1 1 355.310 2.563 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C(C)C)C(F)(F)F ZINC001226307054 1034623843 /nfs/dbraw/zinc/62/38/43/1034623843.db2.gz DGXSMTRCEZIZIR-JTQLQIEISA-N -1 1 352.265 2.838 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC(=O)c2ccccc21 ZINC001226309776 1034625485 /nfs/dbraw/zinc/62/54/85/1034625485.db2.gz JAOJKDPCDRQRPP-CQSZACIVSA-N -1 1 372.333 2.969 20 5 FFBDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142585 1035957306 /nfs/dbraw/zinc/95/73/06/1035957306.db2.gz FOZOSLBZYRZXBN-MNOVXSKESA-N -1 1 368.390 2.505 20 5 FFBDMM CC[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC001228141929 1035958734 /nfs/dbraw/zinc/95/87/34/1035958734.db2.gz XBUHFMPWOHDZFS-SNVBAGLBSA-N -1 1 365.342 2.646 20 5 FFBDMM CCOC(=O)[C@H]1CC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228860548 1036366545 /nfs/dbraw/zinc/36/65/45/1036366545.db2.gz VQUFUCAMIQCRQN-JGVFFNPUSA-N -1 1 364.276 2.825 20 5 FFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CCN(CCF)CC1 ZINC001228861554 1036367979 /nfs/dbraw/zinc/36/79/79/1036367979.db2.gz DXFWAWCTPIMORT-UHFFFAOYSA-N -1 1 353.272 2.527 20 5 FFBDMM Cc1cc([O-])c(OC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001229751608 1036872053 /nfs/dbraw/zinc/87/20/53/1036872053.db2.gz WPBOGRQTBLHANW-INIZCTEOSA-N -1 1 358.394 2.889 20 5 FFBDMM CC(=O)N1CCC[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229803943 1036908127 /nfs/dbraw/zinc/90/81/27/1036908127.db2.gz UGNOIBRSWHJXNK-ZDUSSCGKSA-N -1 1 369.373 2.747 20 5 FFBDMM O=C1CCC(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)CC1 ZINC001234121205 1036926686 /nfs/dbraw/zinc/92/66/86/1036926686.db2.gz YMQRXTININMDNO-UHFFFAOYSA-N -1 1 356.330 2.954 20 5 FFBDMM CC1=C[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC(=O)O1 ZINC001234743920 1037162168 /nfs/dbraw/zinc/16/21/68/1037162168.db2.gz HMPUBAWQKVRHRK-LBPRGKRZSA-N -1 1 354.314 2.956 20 5 FFBDMM C[C@@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1cnccn1 ZINC001234749564 1037166760 /nfs/dbraw/zinc/16/67/60/1037166760.db2.gz AQYSAJNKEQWODP-SECBINFHSA-N -1 1 366.329 2.993 20 5 FFBDMM CO[C@@H](C)CO[C@@H](C)COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875414 1037217386 /nfs/dbraw/zinc/21/73/86/1037217386.db2.gz RGIDJBCMBIMEDS-IUCAKERBSA-N -1 1 364.192 2.882 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2cc(N3CCOCC3)cc(Cl)n2)ccc1[O-] ZINC001210396253 1039522724 /nfs/dbraw/zinc/52/27/24/1039522724.db2.gz PIZFKLXNPDLULG-UHFFFAOYSA-N -1 1 350.762 2.929 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1([C@@H]2CCCO2)CCC1 ZINC001214051382 1041195476 /nfs/dbraw/zinc/19/54/76/1041195476.db2.gz UAPVSERXBJKEII-ZDUSSCGKSA-N -1 1 360.819 2.628 20 5 FFBDMM CCCn1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC001309477989 1043404314 /nfs/dbraw/zinc/40/43/14/1043404314.db2.gz ZJTARQQKRMTKCB-UHFFFAOYSA-N -1 1 357.819 2.938 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)cc1F ZINC001309553275 1043432261 /nfs/dbraw/zinc/43/22/61/1043432261.db2.gz GOWNPSNRICZEHM-QLJPJBMISA-N -1 1 366.370 2.843 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001309905175 1043584171 /nfs/dbraw/zinc/58/41/71/1043584171.db2.gz SRRFGRXYFIWIRL-SNVBAGLBSA-N -1 1 356.350 2.955 20 5 FFBDMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[N-]c1nnc(C)s1 ZINC001542193425 1071186937 /nfs/dbraw/zinc/18/69/37/1071186937.db2.gz NAGIRLZWYLLYGT-UHFFFAOYSA-N -1 1 355.763 2.619 20 5 FFBDMM CCOC(=O)c1cnc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC001521260698 1060497208 /nfs/dbraw/zinc/49/72/08/1060497208.db2.gz UYARSJDCCLPLOJ-UHFFFAOYSA-N -1 1 366.761 2.719 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001521260698 1060497226 /nfs/dbraw/zinc/49/72/26/1060497226.db2.gz UYARSJDCCLPLOJ-UHFFFAOYSA-N -1 1 366.761 2.719 20 5 FFBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001521937937 1061290132 /nfs/dbraw/zinc/29/01/32/1061290132.db2.gz MYYVYKJISINFMT-CQSZACIVSA-N -1 1 372.432 2.996 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)cc1F ZINC001463411600 1062093393 /nfs/dbraw/zinc/09/33/93/1062093393.db2.gz LTZBLBZLZCOVDX-ZDUSSCGKSA-N -1 1 364.354 2.648 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC001464475148 1062633985 /nfs/dbraw/zinc/63/39/85/1062633985.db2.gz NURVUVKJYSCGTL-POYBYMJQSA-N -1 1 358.725 2.725 20 5 FFBDMM CC(C)c1nc(CC2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC001469724638 1064200476 /nfs/dbraw/zinc/20/04/76/1064200476.db2.gz ROKLBGJIOJHCQZ-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001574694037 1078063097 /nfs/dbraw/zinc/06/30/97/1078063097.db2.gz ZDMSEUVMOFYUBL-GFCCVEGCSA-N -1 1 370.361 2.984 20 5 FFBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001474794646 1065608236 /nfs/dbraw/zinc/60/82/36/1065608236.db2.gz QMSCGMCYYBAPTR-UHFFFAOYSA-N -1 1 361.326 2.516 20 5 FFBDMM COc1cc(C)nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC001583603618 1079239127 /nfs/dbraw/zinc/23/91/27/1079239127.db2.gz LFNBVTUVWCXSSE-UHFFFAOYSA-N -1 1 373.188 2.778 20 5 FFBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001558515759 1076022113 /nfs/dbraw/zinc/02/21/13/1076022113.db2.gz IQWCUYAXXHAQSZ-UHFFFAOYSA-N -1 1 354.284 2.999 20 5 FFBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001558807793 1076080443 /nfs/dbraw/zinc/08/04/43/1076080443.db2.gz SLWYGCQWONUBOM-UHFFFAOYSA-N -1 1 363.395 2.917 20 5 FFBDMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC001561259045 1076353538 /nfs/dbraw/zinc/35/35/38/1076353538.db2.gz OKWCEUDOYZMSTC-WDEREUQCSA-N -1 1 362.448 2.995 20 5 FFBDMM Cc1cccnc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001562014179 1076466377 /nfs/dbraw/zinc/46/63/77/1076466377.db2.gz VUDOKDIFLUXLFL-SNVBAGLBSA-N -1 1 355.803 2.991 20 5 FFBDMM Cc1noc([C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001586717779 1079673526 /nfs/dbraw/zinc/67/35/26/1079673526.db2.gz DEEDZWAKSQBCRG-LBPRGKRZSA-N -1 1 354.313 2.892 20 5 FFBDMM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001588199117 1079945175 /nfs/dbraw/zinc/94/51/75/1079945175.db2.gz KFUZVRRSPNLDAX-UHFFFAOYSA-N -1 1 354.366 2.773 20 5 FFBDMM CC(C)(CCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC001589278172 1080461486 /nfs/dbraw/zinc/46/14/86/1080461486.db2.gz LDUMHZNTUQTAFH-UHFFFAOYSA-N -1 1 368.397 2.916 20 5 FFBDMM CC(C)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC001589768090 1080720700 /nfs/dbraw/zinc/72/07/00/1080720700.db2.gz JTVTWNQVGXDTKS-UHFFFAOYSA-N -1 1 353.342 2.546 20 5 FFBDMM CC(C)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC001589768090 1080720705 /nfs/dbraw/zinc/72/07/05/1080720705.db2.gz JTVTWNQVGXDTKS-UHFFFAOYSA-N -1 1 353.342 2.546 20 5 FFBDMM CC1(C)CCC[C@](O)(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001590096595 1081008283 /nfs/dbraw/zinc/00/82/83/1081008283.db2.gz HTYDPUAWTCBTPP-OAHLLOKOSA-N -1 1 366.447 2.970 20 5 FFBDMM CC1(C)CCC[C@](O)(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001590096595 1081008288 /nfs/dbraw/zinc/00/82/88/1081008288.db2.gz HTYDPUAWTCBTPP-OAHLLOKOSA-N -1 1 366.447 2.970 20 5 FFBDMM C[C@H]1C[C@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590214187 1081096819 /nfs/dbraw/zinc/09/68/19/1081096819.db2.gz JZTWHNVKIDMLDK-MEDUHNTESA-N -1 1 351.370 2.757 20 5 FFBDMM C[C@H]1C[C@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590214187 1081096822 /nfs/dbraw/zinc/09/68/22/1081096822.db2.gz JZTWHNVKIDMLDK-MEDUHNTESA-N -1 1 351.370 2.757 20 5 FFBDMM C[C@H]1C[C@@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001590218211 1081101228 /nfs/dbraw/zinc/10/12/28/1081101228.db2.gz GQLZDVJDUJSCCK-KWQFWETISA-N -1 1 355.358 2.686 20 5 FFBDMM C[C@H]1C[C@@H]1c1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001590218211 1081101231 /nfs/dbraw/zinc/10/12/31/1081101231.db2.gz GQLZDVJDUJSCCK-KWQFWETISA-N -1 1 355.358 2.686 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590239892 1081114124 /nfs/dbraw/zinc/11/41/24/1081114124.db2.gz NOJXTGGTHKHIKJ-CYHLAULCSA-N -1 1 372.429 2.541 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)c1C ZINC000163192958 251175311 /nfs/dbraw/zinc/17/53/11/251175311.db2.gz DHQRFEYOEDOQLF-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM CN(Cc1ccccc1N1CCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186800563 251265083 /nfs/dbraw/zinc/26/50/83/251265083.db2.gz RTSNTEYEXPEBLX-UHFFFAOYSA-N -1 1 356.382 2.568 20 5 FFBDMM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C1)CCCC2 ZINC000275619222 256031295 /nfs/dbraw/zinc/03/12/95/256031295.db2.gz LJEDSMQZBMACQQ-CYBMUJFWSA-N -1 1 370.409 2.771 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032631160 506271477 /nfs/dbraw/zinc/27/14/77/506271477.db2.gz JKVZVKPAJHZRLZ-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)s1 ZINC000065266820 506277471 /nfs/dbraw/zinc/27/74/71/506277471.db2.gz VTDPQBGINSDHFF-UHFFFAOYSA-N -1 1 370.452 2.932 20 5 FFBDMM COc1ccc(C[C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000373113559 512177220 /nfs/dbraw/zinc/17/72/20/512177220.db2.gz UWLUQBGDUGJGFZ-CQSZACIVSA-N -1 1 371.393 2.799 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000091369771 507982244 /nfs/dbraw/zinc/98/22/44/507982244.db2.gz ZXTYVNYIHSJJNZ-UHFFFAOYSA-N -1 1 358.173 2.553 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)c([N+](=O)[O-])c1 ZINC000093909398 508160317 /nfs/dbraw/zinc/16/03/17/508160317.db2.gz VJFZYMNFGWELGB-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000115313155 508383699 /nfs/dbraw/zinc/38/36/99/508383699.db2.gz BRYSTXNACTVXOY-QHCPKHFHSA-N -1 1 368.436 2.583 20 5 FFBDMM CCc1ccc(O)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000133518920 508409847 /nfs/dbraw/zinc/40/98/47/508409847.db2.gz IOIYFJSNKKVCKB-UHFFFAOYSA-N -1 1 350.396 2.847 20 5 FFBDMM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000152416678 508442131 /nfs/dbraw/zinc/44/21/31/508442131.db2.gz GMHWFTSESDODSL-UHFFFAOYSA-N -1 1 370.452 2.921 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000135613948 508632209 /nfs/dbraw/zinc/63/22/09/508632209.db2.gz SVJGTBDCIDGQPP-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000135676765 508639733 /nfs/dbraw/zinc/63/97/33/508639733.db2.gz NBXSKWMTQCSDDA-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000118438304 508650923 /nfs/dbraw/zinc/65/09/23/508650923.db2.gz UOUMBQDFUVBOND-GXFFZTMASA-N -1 1 362.473 2.776 20 5 FFBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000266855774 509228669 /nfs/dbraw/zinc/22/86/69/509228669.db2.gz UFBUPQQSOLYGMI-UHFFFAOYSA-N -1 1 353.425 2.717 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000173831601 509804402 /nfs/dbraw/zinc/80/44/02/509804402.db2.gz DBAZONFQLNEGHL-NSHDSACASA-N -1 1 350.824 2.588 20 5 FFBDMM C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000265032520 509830036 /nfs/dbraw/zinc/83/00/36/509830036.db2.gz WNOGEHNIGZXDAS-VIFPVBQESA-N -1 1 351.363 2.943 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000193334822 509870724 /nfs/dbraw/zinc/87/07/24/509870724.db2.gz BPCVPMDZLRMYDE-MRVPVSSYSA-N -1 1 366.171 2.949 20 5 FFBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)cc1 ZINC000193895055 510117713 /nfs/dbraw/zinc/11/77/13/510117713.db2.gz TVURJAXKAHTCBG-LBPRGKRZSA-N -1 1 371.271 2.737 20 5 FFBDMM COc1cc(CN2CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262291256 510234816 /nfs/dbraw/zinc/23/48/16/510234816.db2.gz NSIQIHHOMFJXFY-SNVBAGLBSA-N -1 1 360.313 2.644 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccnc1 ZINC000187550574 510326688 /nfs/dbraw/zinc/32/66/88/510326688.db2.gz KUQDSWHPMZHRNS-UHFFFAOYSA-N -1 1 354.322 2.526 20 5 FFBDMM COc1cccc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000187656835 510373474 /nfs/dbraw/zinc/37/34/74/510373474.db2.gz SWFPNKIGTGOTMK-UHFFFAOYSA-N -1 1 357.366 2.724 20 5 FFBDMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184675703 510454858 /nfs/dbraw/zinc/45/48/58/510454858.db2.gz CQRLOUYQDZHZKO-UHFFFAOYSA-N -1 1 373.384 2.834 20 5 FFBDMM CCOC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000188387537 510740900 /nfs/dbraw/zinc/74/09/00/510740900.db2.gz AKKWSSNYWAIDMT-NSHDSACASA-N -1 1 350.824 2.588 20 5 FFBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295302155 511355109 /nfs/dbraw/zinc/35/51/09/511355109.db2.gz OHEQDENBCYTUBJ-UHFFFAOYSA-N -1 1 371.242 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCSC2)c1Cl ZINC000295362355 511376914 /nfs/dbraw/zinc/37/69/14/511376914.db2.gz ZGZCMHRCQAWUSD-LURJTMIESA-N -1 1 357.240 2.685 20 5 FFBDMM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298876137 511438673 /nfs/dbraw/zinc/43/86/73/511438673.db2.gz MHBKQXGZKVIPMR-UHFFFAOYSA-N -1 1 373.394 2.622 20 5 FFBDMM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000363282286 511460485 /nfs/dbraw/zinc/46/04/85/511460485.db2.gz IZSZLBSLOPRFHL-AWEZNQCLSA-N -1 1 371.393 2.799 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])[nH]n2)o1 ZINC000446620045 513296996 /nfs/dbraw/zinc/29/69/96/513296996.db2.gz LYRAMQBZDAUXIX-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1Br ZINC000421779883 513423816 /nfs/dbraw/zinc/42/38/16/513423816.db2.gz PHLOGJVMPKMTSY-UHFFFAOYSA-N -1 1 367.203 2.934 20 5 FFBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000447339037 513452667 /nfs/dbraw/zinc/45/26/67/513452667.db2.gz DTXQXWSSXBWBJR-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442311645 513702548 /nfs/dbraw/zinc/70/25/48/513702548.db2.gz VYVVLFKZLQRRGH-UHFFFAOYSA-N -1 1 364.379 2.501 20 5 FFBDMM CCc1cc(=O)[n-]c(SCCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000436251629 513807516 /nfs/dbraw/zinc/80/75/16/513807516.db2.gz FUAROOARCUWKPN-UHFFFAOYSA-N -1 1 351.384 2.833 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])N2CCCC2)o1 ZINC000436670718 513937344 /nfs/dbraw/zinc/93/73/44/513937344.db2.gz SLQMQYJKGHBYIL-HNNXBMFYSA-N -1 1 359.382 2.769 20 5 FFBDMM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])N2CCCC2)o1 ZINC000436670919 513937706 /nfs/dbraw/zinc/93/77/06/513937706.db2.gz SLQMQYJKGHBYIL-OAHLLOKOSA-N -1 1 359.382 2.769 20 5 FFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(F)(F)F ZINC000443937500 514075206 /nfs/dbraw/zinc/07/52/06/514075206.db2.gz HPKNZWAQSUPAAH-QPUJVOFHSA-N -1 1 370.349 2.859 20 5 FFBDMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000445000622 514385172 /nfs/dbraw/zinc/38/51/72/514385172.db2.gz ZNPKZTAKTXJECO-VIFPVBQESA-N -1 1 366.399 2.522 20 5 FFBDMM O=C(NCc1nc2cc(Cl)ccc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445171921 514434414 /nfs/dbraw/zinc/43/44/14/514434414.db2.gz ISQSWKGANNWGHO-UHFFFAOYSA-N -1 1 364.770 2.889 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(OC)ccc3[O-])n2)c1 ZINC000445583519 514495545 /nfs/dbraw/zinc/49/55/45/514495545.db2.gz NLHFGJDMKOPBDS-UHFFFAOYSA-N -1 1 357.322 2.958 20 5 FFBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000471044928 514729872 /nfs/dbraw/zinc/72/98/72/514729872.db2.gz PHUCUUJMJKVOKB-UHFFFAOYSA-N -1 1 361.745 2.942 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000467056105 514880427 /nfs/dbraw/zinc/88/04/27/514880427.db2.gz FSTRWOXLWLCKQZ-JTQLQIEISA-N -1 1 360.413 2.614 20 5 FFBDMM CC[C@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000485369768 515012850 /nfs/dbraw/zinc/01/28/50/515012850.db2.gz BAAYCZTXHGMZDO-GOSISDBHSA-N -1 1 368.349 2.591 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1C ZINC000480740318 515066404 /nfs/dbraw/zinc/06/64/04/515066404.db2.gz LAKHTXVTXPJAJJ-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000498910219 515114025 /nfs/dbraw/zinc/11/40/25/515114025.db2.gz YTJLCGGAMFPLGN-LBPRGKRZSA-N -1 1 366.782 2.854 20 5 FFBDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000472430734 515266922 /nfs/dbraw/zinc/26/69/22/515266922.db2.gz JGQYUJQQCXLXSX-UHFFFAOYSA-N -1 1 358.807 2.971 20 5 FFBDMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c([N+](=O)[O-])c1 ZINC000509663046 515280688 /nfs/dbraw/zinc/28/06/88/515280688.db2.gz GFWYPTKORQCAJL-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000561217120 516458379 /nfs/dbraw/zinc/45/83/79/516458379.db2.gz ABPDARPSRHIJCM-VXGBXAGGSA-N -1 1 351.403 2.593 20 5 FFBDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1C ZINC000536460117 516772742 /nfs/dbraw/zinc/77/27/42/516772742.db2.gz RECBVRHDGZLHAU-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COc1cc(F)c(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000562233447 516972112 /nfs/dbraw/zinc/97/21/12/516972112.db2.gz BYKOPIOLNQKALD-UHFFFAOYSA-N -1 1 374.321 2.696 20 5 FFBDMM Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000545112954 517057068 /nfs/dbraw/zinc/05/70/68/517057068.db2.gz LTWCFTHPIUQLIU-UHFFFAOYSA-N -1 1 371.374 2.522 20 5 FFBDMM CCOC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])c([O-])c1 ZINC000534826459 518047928 /nfs/dbraw/zinc/04/79/28/518047928.db2.gz PVTYUWQTGZAUFD-UHFFFAOYSA-N -1 1 360.322 2.738 20 5 FFBDMM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000581506074 518319014 /nfs/dbraw/zinc/31/90/14/518319014.db2.gz PXDLWODAVMTUKQ-LKFCYVNXSA-N -1 1 374.415 2.850 20 5 FFBDMM O=c1[n-]nc([C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)o1 ZINC000585701955 518565939 /nfs/dbraw/zinc/56/59/39/518565939.db2.gz APCFJJZNMYKPSM-QMMMGPOBSA-N -1 1 369.175 2.830 20 5 FFBDMM O=C([O-])[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1c1ccccc1 ZINC000573571477 518732832 /nfs/dbraw/zinc/73/28/32/518732832.db2.gz CWOYLCKYGVGHSJ-HUUCEWRRSA-N -1 1 366.377 2.771 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000577117871 518922104 /nfs/dbraw/zinc/92/21/04/518922104.db2.gz CSMXOHYZLXRCMP-MRXNPFEDSA-N -1 1 366.414 2.838 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590398315 519214774 /nfs/dbraw/zinc/21/47/74/519214774.db2.gz MCZDLHVXOZCMIB-JTQLQIEISA-N -1 1 359.386 2.821 20 5 FFBDMM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583791451 519433482 /nfs/dbraw/zinc/43/34/82/519433482.db2.gz KUQQVCGGRXZOES-JTQLQIEISA-N -1 1 353.425 2.751 20 5 FFBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000578330497 519539342 /nfs/dbraw/zinc/53/93/42/519539342.db2.gz PBTXIOYLOCHMEF-ONGXEEELSA-N -1 1 374.340 2.542 20 5 FFBDMM CC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC=CC1 ZINC000594473056 519982924 /nfs/dbraw/zinc/98/29/24/519982924.db2.gz JGSSNBRKOXIKFJ-UHFFFAOYSA-N -1 1 361.217 2.744 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000603824997 520368963 /nfs/dbraw/zinc/36/89/63/520368963.db2.gz ABSCARFVODJJOL-UHFFFAOYSA-N -1 1 363.351 2.859 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600838317 520495386 /nfs/dbraw/zinc/49/53/86/520495386.db2.gz KQHHRWQLZXQLPG-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM COc1cccc([C@]2(C)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000598226096 520506199 /nfs/dbraw/zinc/50/61/99/520506199.db2.gz RURVLKHJAFNWTP-GOSISDBHSA-N -1 1 357.366 2.508 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccncc1 ZINC000610518488 520724706 /nfs/dbraw/zinc/72/47/06/520724706.db2.gz UJLPDVNIPKHTOT-JTQLQIEISA-N -1 1 355.803 2.725 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)n[nH]1 ZINC000610769249 520835386 /nfs/dbraw/zinc/83/53/86/520835386.db2.gz YGGFHNIASJYEJA-UHFFFAOYSA-N -1 1 372.406 2.904 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)nc1 ZINC000593601357 521101738 /nfs/dbraw/zinc/10/17/38/521101738.db2.gz IYOZAZUUWHJTMJ-ONGXEEELSA-N -1 1 367.349 2.779 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000593748794 521191169 /nfs/dbraw/zinc/19/11/69/521191169.db2.gz UWLGPOWCQKCVIM-GXTWGEPZSA-N -1 1 359.386 2.591 20 5 FFBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000599410375 521203628 /nfs/dbraw/zinc/20/36/28/521203628.db2.gz JAXBKMVAOFKUIG-UHFFFAOYSA-N -1 1 355.441 2.616 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000619467463 521583586 /nfs/dbraw/zinc/58/35/86/521583586.db2.gz IVVVMFRTRHISRD-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000619865381 521909417 /nfs/dbraw/zinc/90/94/17/521909417.db2.gz PIJWWJZNNZSCKL-SECBINFHSA-N -1 1 364.383 2.614 20 5 FFBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000738236704 599164071 /nfs/dbraw/zinc/16/40/71/599164071.db2.gz QCDAAMBLFXLPBJ-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=[N+]([O-])c1cc(NCCc2cccc3cccnc32)ccc1-c1nn[n-]n1 ZINC000823634730 607347529 /nfs/dbraw/zinc/34/75/29/607347529.db2.gz KXHKMSMDYSMEFE-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=C([O-])Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000740013432 600101753 /nfs/dbraw/zinc/10/17/53/600101753.db2.gz XZSXHCAWPQTDAB-UHFFFAOYSA-N -1 1 355.303 2.625 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738477144 600612958 /nfs/dbraw/zinc/61/29/58/600612958.db2.gz SGJWZPXKRYNWMC-UHFFFAOYSA-N -1 1 369.330 2.933 20 5 FFBDMM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000740074894 600886555 /nfs/dbraw/zinc/88/65/55/600886555.db2.gz GSSJBYNVMCLIKP-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000832905097 601475425 /nfs/dbraw/zinc/47/54/25/601475425.db2.gz BUSLYWOANHBHQH-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM CN(C[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1)C(=O)[O-] ZINC000739635286 602860835 /nfs/dbraw/zinc/86/08/35/602860835.db2.gz CTRJGTRRPFIEHC-CQSZACIVSA-N -1 1 373.413 2.738 20 5 FFBDMM O=C([O-])[C@H]1CC12CCN(Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000833771405 605291706 /nfs/dbraw/zinc/29/17/06/605291706.db2.gz DNTXFNLMSWUPCL-MRXNPFEDSA-N -1 1 356.382 2.603 20 5 FFBDMM CCc1nnc(Oc2cccc([N+](=O)[O-])c2C)c(-c2nnn[n-]2)c1CC ZINC000821548570 606923190 /nfs/dbraw/zinc/92/31/90/606923190.db2.gz OMJITCWECBTOES-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM CCc1nnc(Oc2cccc([N+](=O)[O-])c2C)c(-c2nn[n-]n2)c1CC ZINC000821548570 606923192 /nfs/dbraw/zinc/92/31/92/606923192.db2.gz OMJITCWECBTOES-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101568477 728486428 /nfs/dbraw/zinc/48/64/28/728486428.db2.gz KPNYYVGSSDOAKM-UHFFFAOYSA-N -1 1 356.787 2.735 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000118437557 728582305 /nfs/dbraw/zinc/58/23/05/728582305.db2.gz FSOJCTHCWZSBOY-UHFFFAOYSA-N -1 1 360.407 2.752 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc([N+](=O)[O-])c1F ZINC000130017055 728714543 /nfs/dbraw/zinc/71/45/43/728714543.db2.gz XPKRILYYQHMUQT-QHCPKHFHSA-N -1 1 372.399 2.581 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cccc1[N+](=O)[O-] ZINC000135674948 728738750 /nfs/dbraw/zinc/73/87/50/728738750.db2.gz CIAMMPXLCQZFQZ-UHFFFAOYSA-N -1 1 360.347 2.810 20 5 FFBDMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175886412 729103528 /nfs/dbraw/zinc/10/35/28/729103528.db2.gz UXMMOXLKYCOKFV-UHFFFAOYSA-N -1 1 360.800 2.966 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)cc1F ZINC000867459775 731188185 /nfs/dbraw/zinc/18/81/85/731188185.db2.gz ZAHWSAQHMBKEDR-INIZCTEOSA-N -1 1 372.418 2.526 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)COc1ccc(Cl)cc1 ZINC000780077257 738514312 /nfs/dbraw/zinc/51/43/12/738514312.db2.gz WFSJMXVMYAMCQZ-UHFFFAOYSA-N -1 1 365.725 2.759 20 5 FFBDMM CC(C)(CCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1)[N+](=O)[O-] ZINC000870163971 731477957 /nfs/dbraw/zinc/47/79/57/731477957.db2.gz JTYXUYQWMHXPSK-UHFFFAOYSA-N -1 1 369.849 2.525 20 5 FFBDMM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000882590709 733253487 /nfs/dbraw/zinc/25/34/87/733253487.db2.gz YCTKEXRZYYCXEV-ZKCHVHJHSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826376 734394398 /nfs/dbraw/zinc/39/43/98/734394398.db2.gz QIHWNAZPAMBQCQ-NSHDSACASA-N -1 1 370.814 2.994 20 5 FFBDMM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834800 737463786 /nfs/dbraw/zinc/46/37/86/737463786.db2.gz KNJGTNZEZJUTRO-LBPRGKRZSA-N -1 1 354.409 2.685 20 5 FFBDMM CCN(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000769046736 737489370 /nfs/dbraw/zinc/48/93/70/737489370.db2.gz HUJKBINSAFKCBY-UHFFFAOYSA-N -1 1 350.371 2.638 20 5 FFBDMM CSCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809818685 741347649 /nfs/dbraw/zinc/34/76/49/741347649.db2.gz OQHATSDHXQWANI-UHFFFAOYSA-N -1 1 356.828 2.809 20 5 FFBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1F ZINC000769888330 737579051 /nfs/dbraw/zinc/57/90/51/737579051.db2.gz CZWSZKRFQXGTOR-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM CCCCn1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)n1 ZINC000773340238 737896327 /nfs/dbraw/zinc/89/63/27/737896327.db2.gz JOWFJMOTGDZXNE-UHFFFAOYSA-N -1 1 370.406 2.517 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000777676926 738312726 /nfs/dbraw/zinc/31/27/26/738312726.db2.gz AXTQPEXWTPEMQK-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000777976186 738337775 /nfs/dbraw/zinc/33/77/75/738337775.db2.gz NOBALVITONVWTA-GFCCVEGCSA-N -1 1 370.333 2.779 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790922223 739513426 /nfs/dbraw/zinc/51/34/26/739513426.db2.gz QUAUQCCHRRSUAH-LBPRGKRZSA-N -1 1 372.418 2.894 20 5 FFBDMM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000800153161 740492826 /nfs/dbraw/zinc/49/28/26/740492826.db2.gz XBMDZDKSEANNCB-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM O=C(CSc1ncnc2sccc21)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000802670492 740717727 /nfs/dbraw/zinc/71/77/27/740717727.db2.gz GQLFCZHTKXIICQ-UHFFFAOYSA-N -1 1 374.403 2.648 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCSC2)c(Cl)cc1Cl ZINC000809840358 741352359 /nfs/dbraw/zinc/35/23/59/741352359.db2.gz RHBCJLUURCFMPD-SSDOTTSWSA-N -1 1 371.267 2.933 20 5 FFBDMM O=C([N-]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000810066671 741380836 /nfs/dbraw/zinc/38/08/36/741380836.db2.gz OHXWWLBKSCMTEM-SNVBAGLBSA-N -1 1 363.311 2.624 20 5 FFBDMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022892 741884441 /nfs/dbraw/zinc/88/44/41/741884441.db2.gz CPIURYUCJPLHRY-SECBINFHSA-N -1 1 373.793 2.692 20 5 FFBDMM Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000815029954 741886557 /nfs/dbraw/zinc/88/65/57/741886557.db2.gz UIZRSHCKTZBHHW-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM Cc1cc(Cl)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000820069424 742460268 /nfs/dbraw/zinc/46/02/68/742460268.db2.gz YEXCWOQKWIZBNC-UHFFFAOYSA-N -1 1 366.761 2.665 20 5 FFBDMM CCCc1nnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)s1 ZINC000822686896 742769590 /nfs/dbraw/zinc/76/95/90/742769590.db2.gz YACBVOSZFHIDCH-UHFFFAOYSA-N -1 1 367.362 2.749 20 5 FFBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823417741 742905807 /nfs/dbraw/zinc/90/58/07/742905807.db2.gz HIAOJCHCUKKHHG-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823417741 742905813 /nfs/dbraw/zinc/90/58/13/742905813.db2.gz HIAOJCHCUKKHHG-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM CS[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830929928 745452410 /nfs/dbraw/zinc/45/24/10/745452410.db2.gz XLURRMASKCLBIX-LURJTMIESA-N -1 1 359.256 2.931 20 5 FFBDMM CCOC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831166896 745493344 /nfs/dbraw/zinc/49/33/44/745493344.db2.gz WLARIQBYLCIGGU-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM COCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831607260 745553527 /nfs/dbraw/zinc/55/35/27/745553527.db2.gz YGCMHSZMHHRCPX-UHFFFAOYSA-N -1 1 371.242 2.853 20 5 FFBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841553709 747395898 /nfs/dbraw/zinc/39/58/98/747395898.db2.gz GOBJSTHJCGXYOD-QMMMGPOBSA-N -1 1 371.242 2.853 20 5 FFBDMM COCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000841560579 747399656 /nfs/dbraw/zinc/39/96/56/747399656.db2.gz PLJKDIWTYNWJFM-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM CCCc1ncc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000848590959 748968455 /nfs/dbraw/zinc/96/84/55/748968455.db2.gz HJBMWWSXYXWQGJ-UHFFFAOYSA-N -1 1 355.297 2.823 20 5 FFBDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849452232 749159656 /nfs/dbraw/zinc/15/96/56/749159656.db2.gz OZLFLCIUPMAFOS-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM COc1cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000263303122 966133755 /nfs/dbraw/zinc/13/37/55/966133755.db2.gz GVTUHFPBKDQNHO-MWLCHTKSSA-N -1 1 374.340 2.747 20 5 FFBDMM CC[C@](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298813 980421246 /nfs/dbraw/zinc/42/12/46/980421246.db2.gz DLPJVCFDHGAZIM-LJQANCHMSA-N -1 1 372.377 2.861 20 5 FFBDMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130522920 987470783 /nfs/dbraw/zinc/47/07/83/987470783.db2.gz BJDOJGJBAMGXCP-UHFFFAOYSA-N -1 1 364.361 2.636 20 5 FFBDMM C[C@](NC(=O)c1ccc(Cl)c(O)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593162517 993997819 /nfs/dbraw/zinc/99/78/19/993997819.db2.gz KUMKLSUQDBOGEM-MRXNPFEDSA-N -1 1 364.741 2.684 20 5 FFBDMM COCc1cccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001185447501 1002966566 /nfs/dbraw/zinc/96/65/66/1002966566.db2.gz GWKKCLNGOOLIHN-UHFFFAOYSA-N -1 1 368.386 2.667 20 5 FFBDMM COC(=O)c1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc([N+](=O)[O-])c1 ZINC000747396565 1004583007 /nfs/dbraw/zinc/58/30/07/1004583007.db2.gz UFKQPAQFELJGCE-UHFFFAOYSA-N -1 1 374.353 2.561 20 5 FFBDMM Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000807692824 1004664197 /nfs/dbraw/zinc/66/41/97/1004664197.db2.gz DFECXJREJBBENL-KRWDZBQOSA-N -1 1 371.393 2.590 20 5 FFBDMM COCCN(Cc1ccc(C)c(C)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001178046944 1008839642 /nfs/dbraw/zinc/83/96/42/1008839642.db2.gz FMEHBZREBGZRST-UHFFFAOYSA-N -1 1 359.382 2.601 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000780068605 1019399654 /nfs/dbraw/zinc/39/96/54/1019399654.db2.gz LEPCUDLQKIFJOS-KRWDZBQOSA-N -1 1 370.361 2.651 20 5 FFBDMM CSc1cccc(C(=O)OCC(=O)c2ccc([O-])cc2O)c1[N+](=O)[O-] ZINC001116666442 1021342452 /nfs/dbraw/zinc/34/24/52/1021342452.db2.gz MGEPPGFNYAYSSF-UHFFFAOYSA-N -1 1 363.347 2.768 20 5 FFBDMM O=C(OCc1ccc(Cl)cc1-n1cncn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000795559784 1026911891 /nfs/dbraw/zinc/91/18/91/1026911891.db2.gz RTLVNGGLHKGLMO-UHFFFAOYSA-N -1 1 374.740 2.892 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(F)cc2Br)no1 ZINC001212893160 1027199755 /nfs/dbraw/zinc/19/97/55/1027199755.db2.gz OWPLPDVCFOZCQG-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cncc([O-])c1 ZINC001161909688 1028358813 /nfs/dbraw/zinc/35/88/13/1028358813.db2.gz GQWIHSLYMAHQEF-LBPRGKRZSA-N -1 1 359.235 2.868 20 5 FFBDMM O=C([N-]c1nc2cnccn2n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001535453679 1069795872 /nfs/dbraw/zinc/79/58/72/1069795872.db2.gz MOOOCAMOWROFSD-UHFFFAOYSA-N -1 1 353.125 2.592 20 5 FFBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001535591460 1069847335 /nfs/dbraw/zinc/84/73/35/1069847335.db2.gz GYHUBUPAJGPSAA-UHFFFAOYSA-N -1 1 362.773 2.804 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1cc(C)cnc1F ZINC001226327030 1034631631 /nfs/dbraw/zinc/63/16/31/1034631631.db2.gz OZHQGGBSWCJCTD-SECBINFHSA-N -1 1 365.317 2.855 20 5 FFBDMM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2[n-]c(=S)ncc2F)C1 ZINC001227386263 1035528168 /nfs/dbraw/zinc/52/81/68/1035528168.db2.gz OSXBTOZUZMKEIO-QMMMGPOBSA-N -1 1 354.338 2.609 20 5 FFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])O2 ZINC001228142563 1035958192 /nfs/dbraw/zinc/95/81/92/1035958192.db2.gz FCLUMZQMNBNQIE-ZFRZLUBXSA-N -1 1 367.402 2.673 20 5 FFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@]12OC[C@@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])O2 ZINC001228142559 1035958329 /nfs/dbraw/zinc/95/83/29/1035958329.db2.gz FCLUMZQMNBNQIE-HPTBWKMGSA-N -1 1 367.402 2.673 20 5 FFBDMM CCOC(=O)[C@@H]1CCC[C@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862508 1036370900 /nfs/dbraw/zinc/37/09/00/1036370900.db2.gz OCRCDQYPHKPLDG-VXNVDRBHSA-N -1 1 364.276 2.825 20 5 FFBDMM Cc1nc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380078 1036641880 /nfs/dbraw/zinc/64/18/80/1036641880.db2.gz ZEPCNXGEGFSMDG-ZDUSSCGKSA-N -1 1 362.361 2.581 20 5 FFBDMM CC(C)(C)N1CC(Oc2cc([O-])cc3oc4c(O)ccc(O)c4c(=O)c23)C1 ZINC001234125710 1036927522 /nfs/dbraw/zinc/92/75/22/1036927522.db2.gz XOOROSLJXFQIKU-UHFFFAOYSA-N -1 1 371.389 2.925 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OC4CC5(COC5)C4)cc3c(=O)c12 ZINC001234801087 1037185305 /nfs/dbraw/zinc/18/53/05/1037185305.db2.gz OBBFAKOWMVBTGH-UHFFFAOYSA-N -1 1 370.357 2.924 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001211289805 1040063112 /nfs/dbraw/zinc/06/31/12/1040063112.db2.gz LLNWCQCRNRWILI-UHFFFAOYSA-N -1 1 351.384 2.603 20 5 FFBDMM CCOC(=O)c1snc(C(N)=O)c1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248594666 1040333849 /nfs/dbraw/zinc/33/38/49/1040333849.db2.gz OYORZEDIACVBGS-UHFFFAOYSA-N -1 1 370.774 2.724 20 5 FFBDMM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC001213581824 1040689517 /nfs/dbraw/zinc/68/95/17/1040689517.db2.gz FJOLHEAQQRZKLM-UHFFFAOYSA-N -1 1 365.411 2.576 20 5 FFBDMM COCC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001213607353 1040714813 /nfs/dbraw/zinc/71/48/13/1040714813.db2.gz LYHSGJDJKRYLCO-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CC(C)(C)CO2)cc1F ZINC001213682644 1040788508 /nfs/dbraw/zinc/78/85/08/1040788508.db2.gz MRFRFCVJUAXAEF-NSHDSACASA-N -1 1 360.407 2.526 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)cc1F ZINC001309514951 1043416215 /nfs/dbraw/zinc/41/62/15/1043416215.db2.gz IGAWVOFUVBCFST-WFASDCNBSA-N -1 1 374.434 2.772 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1OC(F)F ZINC001319934250 1045306594 /nfs/dbraw/zinc/30/65/94/1045306594.db2.gz WXEOLJWLVCXIRD-ZETCQYMHSA-N -1 1 371.271 2.927 20 5 FFBDMM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001544711236 1071681115 /nfs/dbraw/zinc/68/11/15/1071681115.db2.gz UAEQLHKSBNEHGM-UHFFFAOYSA-N -1 1 360.113 2.796 20 5 FFBDMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001450904635 1059061430 /nfs/dbraw/zinc/06/14/30/1059061430.db2.gz UOTRQEQGGGZZSE-UHFFFAOYSA-N -1 1 352.249 2.602 20 5 FFBDMM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC001475316721 1061045369 /nfs/dbraw/zinc/04/53/69/1061045369.db2.gz VESSLLJBWGEVNE-PRHODGIISA-N -1 1 368.814 2.727 20 5 FFBDMM CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nn[n-]n1 ZINC001461559637 1061349184 /nfs/dbraw/zinc/34/91/84/1061349184.db2.gz RFZHFYUGCRIGIM-UHFFFAOYSA-N -1 1 356.367 2.536 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(OS(=O)(=O)c2c[n-]nc2Cl)cc1Cl ZINC001464433915 1062610260 /nfs/dbraw/zinc/61/02/60/1062610260.db2.gz GCGHZJGIAYTUHW-UHFFFAOYSA-N -1 1 356.118 2.532 20 5 FFBDMM COc1cnc(C2(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCC2)[n-]c1=O ZINC001466250255 1063372093 /nfs/dbraw/zinc/37/20/93/1063372093.db2.gz GQPZSKORCAMQKT-UHFFFAOYSA-N -1 1 373.369 2.690 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)cc1F ZINC001474982012 1065662773 /nfs/dbraw/zinc/66/27/73/1065662773.db2.gz VZOFTDQEBDHAGV-ZFWWWQNUSA-N -1 1 364.398 2.952 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(OCC2CCCC2)CC1 ZINC001582802120 1079108995 /nfs/dbraw/zinc/10/89/95/1079108995.db2.gz JZCNLDYGUBZCGO-UHFFFAOYSA-N -1 1 372.429 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(OCC2CCCC2)CC1 ZINC001582802120 1079108999 /nfs/dbraw/zinc/10/89/99/1079108999.db2.gz JZCNLDYGUBZCGO-UHFFFAOYSA-N -1 1 372.429 2.951 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001582803621 1079109897 /nfs/dbraw/zinc/10/98/97/1079109897.db2.gz ODIJAHGIWILZPD-UHFFFAOYSA-N -1 1 352.263 2.676 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001582803621 1079109900 /nfs/dbraw/zinc/10/99/00/1079109900.db2.gz ODIJAHGIWILZPD-UHFFFAOYSA-N -1 1 352.263 2.676 20 5 FFBDMM Cc1cccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001562013774 1076466277 /nfs/dbraw/zinc/46/62/77/1076466277.db2.gz MXDXQIVZUJWKIO-JTQLQIEISA-N -1 1 355.803 2.991 20 5 FFBDMM Cc1conc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001562016680 1076466773 /nfs/dbraw/zinc/46/67/73/1076466773.db2.gz PUDOPCRIOOGGQL-UHFFFAOYSA-N -1 1 366.182 2.677 20 5 FFBDMM COc1cnc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c1=O ZINC001562146910 1076478457 /nfs/dbraw/zinc/47/84/57/1076478457.db2.gz JUVLQDFYGLPCDN-ZDUSSCGKSA-N -1 1 373.369 2.776 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001586099925 1079545855 /nfs/dbraw/zinc/54/58/55/1079545855.db2.gz GOIZXMQCQMDKAR-OAHLLOKOSA-N -1 1 366.381 2.553 20 5 FFBDMM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1[N+](=O)[O-] ZINC001587482986 1079798494 /nfs/dbraw/zinc/79/84/94/1079798494.db2.gz PPORLTXQUFQTJP-OAHLLOKOSA-N -1 1 373.365 2.508 20 5 FFBDMM CC(=O)Nc1ccc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001588879356 1080229739 /nfs/dbraw/zinc/22/97/39/1080229739.db2.gz YNXSIFLSQFFSGR-UHFFFAOYSA-N -1 1 356.367 2.885 20 5 FFBDMM CC(=O)Nc1ccc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001588879356 1080229747 /nfs/dbraw/zinc/22/97/47/1080229747.db2.gz YNXSIFLSQFFSGR-UHFFFAOYSA-N -1 1 356.367 2.885 20 5 FFBDMM C[C@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001589200659 1080414120 /nfs/dbraw/zinc/41/41/20/1080414120.db2.gz ZBMGFFRAMCHRTI-HNNXBMFYSA-N -1 1 366.761 2.595 20 5 FFBDMM C[C@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590214362 1081097762 /nfs/dbraw/zinc/09/77/62/1081097762.db2.gz MHSQUQDUOAWLOJ-ONGXEEELSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590214362 1081097765 /nfs/dbraw/zinc/09/77/65/1081097765.db2.gz MHSQUQDUOAWLOJ-ONGXEEELSA-N -1 1 357.399 2.819 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590239895 1081114100 /nfs/dbraw/zinc/11/41/00/1081114100.db2.gz NOJXTGGTHKHIKJ-LCSDZXHASA-N -1 1 372.429 2.541 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119481098 209349726 /nfs/dbraw/zinc/34/97/26/209349726.db2.gz PEYCSEAWJCKFBO-UHFFFAOYSA-N -1 1 356.787 2.735 20 5 FFBDMM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000287732037 257106460 /nfs/dbraw/zinc/10/64/60/257106460.db2.gz LSGRZDZPMRXGCP-UHFFFAOYSA-N -1 1 373.331 2.692 20 5 FFBDMM CC(=O)c1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000290682471 257352683 /nfs/dbraw/zinc/35/26/83/257352683.db2.gz LMTOOWUVFQFFKR-NSHDSACASA-N -1 1 373.331 2.692 20 5 FFBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145566 506771050 /nfs/dbraw/zinc/77/10/50/506771050.db2.gz IDUWFLUOVOSUJO-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM CCSc1nnc([N-]C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 ZINC000014739981 506997591 /nfs/dbraw/zinc/99/75/91/506997591.db2.gz BWLSJDMMKOXBNB-UHFFFAOYSA-N -1 1 370.412 2.828 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)s1 ZINC000064243661 507786987 /nfs/dbraw/zinc/78/69/87/507786987.db2.gz ASOKLCYPVNJKDL-UHFFFAOYSA-N -1 1 364.351 2.736 20 5 FFBDMM CCOc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000091927041 508025038 /nfs/dbraw/zinc/02/50/38/508025038.db2.gz OUFGXADJEOSMLE-UHFFFAOYSA-N -1 1 369.377 2.611 20 5 FFBDMM CC(C)Oc1ncccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156642573 508455131 /nfs/dbraw/zinc/45/51/31/508455131.db2.gz NQJJZEDWTCHKQQ-UHFFFAOYSA-N -1 1 365.411 2.761 20 5 FFBDMM O=C([O-])CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000139347096 508787239 /nfs/dbraw/zinc/78/72/39/508787239.db2.gz CNQAUYZLNLOZCW-CQSZACIVSA-N -1 1 368.349 2.807 20 5 FFBDMM CC[C@@H](c1nnc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)s1)c1ccccc1 ZINC000119682310 508843483 /nfs/dbraw/zinc/84/34/83/508843483.db2.gz LXGLPEUQQCAVMG-LLVKDONJSA-N -1 1 372.410 2.974 20 5 FFBDMM CC[C@H](c1nnc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)s1)c1ccccc1 ZINC000119682139 508843519 /nfs/dbraw/zinc/84/35/19/508843519.db2.gz LXGLPEUQQCAVMG-NSHDSACASA-N -1 1 372.410 2.974 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000191797208 509185259 /nfs/dbraw/zinc/18/52/59/509185259.db2.gz MMFXYXVYRBPXLN-QHCPKHFHSA-N -1 1 368.436 2.750 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000191797223 509186127 /nfs/dbraw/zinc/18/61/27/509186127.db2.gz MMFXYXVYRBPXLN-HSZRJFAPSA-N -1 1 368.436 2.750 20 5 FFBDMM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185912534 509423246 /nfs/dbraw/zinc/42/32/46/509423246.db2.gz GLGXBYJECVFODW-LBPRGKRZSA-N -1 1 363.757 2.993 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000264267462 509423451 /nfs/dbraw/zinc/42/34/51/509423451.db2.gz VRNXTEBHZUYBMQ-UHFFFAOYSA-N -1 1 363.320 2.993 20 5 FFBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000173355123 509550625 /nfs/dbraw/zinc/55/06/25/509550625.db2.gz PBVSXBYFPDYZRP-AWEZNQCLSA-N -1 1 368.411 2.725 20 5 FFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000183312712 509711188 /nfs/dbraw/zinc/71/11/88/509711188.db2.gz DXTLNHYVPUOQSP-NSHDSACASA-N -1 1 362.835 2.873 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000180184857 509799472 /nfs/dbraw/zinc/79/94/72/509799472.db2.gz FADFXZKGAVEANT-CYBMUJFWSA-N -1 1 372.349 2.539 20 5 FFBDMM CCCCOc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186958504 509974116 /nfs/dbraw/zinc/97/41/16/509974116.db2.gz VYZNFLZEWLXTCX-UHFFFAOYSA-N -1 1 359.382 2.847 20 5 FFBDMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186987935 509990025 /nfs/dbraw/zinc/99/00/25/509990025.db2.gz UXTONUFETKUTEE-UHFFFAOYSA-N -1 1 365.773 2.890 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(COc2ccccc2)CC1 ZINC000194213301 510264391 /nfs/dbraw/zinc/26/43/91/510264391.db2.gz FVYBBTKXDNQSMQ-UHFFFAOYSA-N -1 1 357.366 2.627 20 5 FFBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000184615581 510419037 /nfs/dbraw/zinc/41/90/37/510419037.db2.gz NILBWWHQEQNOEK-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000175401831 510628539 /nfs/dbraw/zinc/62/85/39/510628539.db2.gz ROGQBAITYFJOMA-UHFFFAOYSA-N -1 1 370.814 2.743 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000298847020 511429271 /nfs/dbraw/zinc/42/92/71/511429271.db2.gz JICZVSLFFZTAEK-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1cccc2ncccc21 ZINC000350680189 511862332 /nfs/dbraw/zinc/86/23/32/511862332.db2.gz MSSBMDLIZZCXQK-UHFFFAOYSA-N -1 1 364.321 2.702 20 5 FFBDMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1F ZINC000326806247 511864307 /nfs/dbraw/zinc/86/43/07/511864307.db2.gz UPZPNJXRHOLAHR-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000374400842 512814805 /nfs/dbraw/zinc/81/48/05/512814805.db2.gz KPWHIRGSWMDVTL-KRWDZBQOSA-N -1 1 363.320 2.854 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000377070649 513107634 /nfs/dbraw/zinc/10/76/34/513107634.db2.gz YKKFGEXQFPRIHS-INIZCTEOSA-N -1 1 367.283 2.685 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccc(=O)n(C)c2c1 ZINC000447272304 513432870 /nfs/dbraw/zinc/43/28/70/513432870.db2.gz BUVCVNJOKKZVRJ-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000451084366 513507407 /nfs/dbraw/zinc/50/74/07/513507407.db2.gz RBAALRRFGNMSFG-MRVPVSSYSA-N -1 1 373.175 2.679 20 5 FFBDMM COc1cc(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000442937802 513820818 /nfs/dbraw/zinc/82/08/18/513820818.db2.gz DVVQIKZSIRVBBK-UHFFFAOYSA-N -1 1 366.757 2.901 20 5 FFBDMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000451676842 513905165 /nfs/dbraw/zinc/90/51/65/513905165.db2.gz TWZCBDJCDIWJSP-JOYOIKCWSA-N -1 1 350.824 2.588 20 5 FFBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000436915573 514033382 /nfs/dbraw/zinc/03/33/82/514033382.db2.gz PAJPGPGUXYDQNV-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000436915573 514033384 /nfs/dbraw/zinc/03/33/84/514033384.db2.gz PAJPGPGUXYDQNV-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])N2CCCC2)o1 ZINC000436925260 514037239 /nfs/dbraw/zinc/03/72/39/514037239.db2.gz JTCOKBHLVMTQQK-HNNXBMFYSA-N -1 1 359.382 2.769 20 5 FFBDMM CCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000451954712 514091829 /nfs/dbraw/zinc/09/18/29/514091829.db2.gz BNVRWQINYRURAG-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000452032526 514146600 /nfs/dbraw/zinc/14/66/00/514146600.db2.gz WJHHLXGOQHEGQE-UHFFFAOYSA-N -1 1 357.775 2.592 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466540085 514682940 /nfs/dbraw/zinc/68/29/40/514682940.db2.gz DJQSSVDYUUADCS-NSHDSACASA-N -1 1 372.761 2.799 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc3ncccc32)cc([N+](=O)[O-])c1 ZINC000484555800 514687837 /nfs/dbraw/zinc/68/78/37/514687837.db2.gz RNNOFYLDPCVZGP-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456705072 515368415 /nfs/dbraw/zinc/36/84/15/515368415.db2.gz RRFYVVDKSLEWAW-CQSZACIVSA-N -1 1 367.365 2.939 20 5 FFBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463678827 515578063 /nfs/dbraw/zinc/57/80/63/515578063.db2.gz RFJMIGXYAXEGJW-UHFFFAOYSA-N -1 1 373.793 2.778 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000512783111 516357053 /nfs/dbraw/zinc/35/70/53/516357053.db2.gz MPQKKGQLQSQKBX-LLVKDONJSA-N -1 1 372.399 2.988 20 5 FFBDMM Cc1ccc(F)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000535595464 516414739 /nfs/dbraw/zinc/41/47/39/516414739.db2.gz YHOHWIHSZOHRRS-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000541071142 516857841 /nfs/dbraw/zinc/85/78/41/516857841.db2.gz PTACOPPPDZWINS-SNVBAGLBSA-N -1 1 364.379 2.728 20 5 FFBDMM C[C@@H](c1ccncc1)N1CCC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000519611945 517079011 /nfs/dbraw/zinc/07/90/11/517079011.db2.gz WMJGBVFMWUTQFT-LBPRGKRZSA-N -1 1 371.397 2.721 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1 ZINC000541801617 517222501 /nfs/dbraw/zinc/22/25/01/517222501.db2.gz GTLWDILSPLFVOB-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CC(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000533270101 517376533 /nfs/dbraw/zinc/37/65/33/517376533.db2.gz COCXWJNKXMPPCK-AWEZNQCLSA-N -1 1 366.443 2.877 20 5 FFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000556399059 517410761 /nfs/dbraw/zinc/41/07/61/517410761.db2.gz LYMWFXMCKZUFLI-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM O=C(NCCOc1cccc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000515928061 517515681 /nfs/dbraw/zinc/51/56/81/517515681.db2.gz LPJRBUYLRGRKJR-UHFFFAOYSA-N -1 1 353.334 2.657 20 5 FFBDMM Cc1nc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[n-]c(=O)c1C ZINC000539618482 518123700 /nfs/dbraw/zinc/12/37/00/518123700.db2.gz FPOVRBPPCQBXHO-ZDUSSCGKSA-N -1 1 360.395 2.605 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000569918859 518354652 /nfs/dbraw/zinc/35/46/52/518354652.db2.gz WGYUZDPOBHGEBP-HUUCEWRRSA-N -1 1 361.423 2.852 20 5 FFBDMM COc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)c([N+](=O)[O-])cc1O ZINC000585731858 518578851 /nfs/dbraw/zinc/57/88/51/518578851.db2.gz UUGZOYSNUSKDOG-JTQLQIEISA-N -1 1 352.368 2.676 20 5 FFBDMM COc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000565100679 518785599 /nfs/dbraw/zinc/78/55/99/518785599.db2.gz ADNHEMHNGJKPRB-INIZCTEOSA-N -1 1 374.340 2.892 20 5 FFBDMM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582896330 518974979 /nfs/dbraw/zinc/97/49/79/518974979.db2.gz SDJOJPWTZJVSHJ-INIZCTEOSA-N -1 1 363.801 2.987 20 5 FFBDMM Cc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c([N+](=O)[O-])c1 ZINC000571853560 519307622 /nfs/dbraw/zinc/30/76/22/519307622.db2.gz ONVJPUHUXZHXII-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000594733681 520121131 /nfs/dbraw/zinc/12/11/31/520121131.db2.gz BLQFNKPDGXKGFE-MNOVXSKESA-N -1 1 362.304 2.559 20 5 FFBDMM C[C@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763715 520143024 /nfs/dbraw/zinc/14/30/24/520143024.db2.gz YPHMOCNIJDCHSO-BONVTDFDSA-N -1 1 365.386 2.731 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000601417573 520780420 /nfs/dbraw/zinc/78/04/20/520780420.db2.gz VVEBSGWVSKXKBG-UHFFFAOYSA-N -1 1 356.297 2.662 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)s1 ZINC000610711865 520809055 /nfs/dbraw/zinc/80/90/55/520809055.db2.gz VIKMTAXCPOGUIO-SECBINFHSA-N -1 1 360.800 2.722 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598774992 520840541 /nfs/dbraw/zinc/84/05/41/520840541.db2.gz NGIFGRFBSJGXBE-UHFFFAOYSA-N -1 1 369.377 2.695 20 5 FFBDMM Cc1cccc(CN2CC[C@@H](NC(=O)c3cccc([O-])c3[N+](=O)[O-])C2)c1 ZINC000601850563 520986573 /nfs/dbraw/zinc/98/65/73/520986573.db2.gz POJOAFDPXBODIV-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000599252679 521111687 /nfs/dbraw/zinc/11/16/87/521111687.db2.gz XGKZXBQCMZRVLI-AWEZNQCLSA-N -1 1 366.443 2.702 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000619503035 521601397 /nfs/dbraw/zinc/60/13/97/521601397.db2.gz ZLTPXLAFUNESEQ-UHFFFAOYSA-N -1 1 373.175 2.679 20 5 FFBDMM CN(Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821616886 607348092 /nfs/dbraw/zinc/34/80/92/607348092.db2.gz METYIKWNWBQMSB-UHFFFAOYSA-N -1 1 371.426 2.747 20 5 FFBDMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832848436 601083909 /nfs/dbraw/zinc/08/39/09/601083909.db2.gz DFZABMBMQNDTTM-UHFFFAOYSA-N -1 1 358.232 2.596 20 5 FFBDMM Cc1nn(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830870206 604750132 /nfs/dbraw/zinc/75/01/32/604750132.db2.gz GICVGKODWSNPIY-DGCLKSJQSA-N -1 1 361.402 2.579 20 5 FFBDMM O=C([O-])[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000833165785 604770931 /nfs/dbraw/zinc/77/09/31/604770931.db2.gz LMLIULSVVJQDPM-LBPRGKRZSA-N -1 1 359.169 2.514 20 5 FFBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820774573 606713577 /nfs/dbraw/zinc/71/35/77/606713577.db2.gz FUXXAGONJJUJMS-JSGCOSHPSA-N -1 1 365.397 2.800 20 5 FFBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000820774573 606713580 /nfs/dbraw/zinc/71/35/80/606713580.db2.gz FUXXAGONJJUJMS-JSGCOSHPSA-N -1 1 365.397 2.800 20 5 FFBDMM CC(C)C(=O)Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820011363 607162058 /nfs/dbraw/zinc/16/20/58/607162058.db2.gz KAHODTFCCURWLP-UHFFFAOYSA-N -1 1 368.357 2.508 20 5 FFBDMM CC(C)C(=O)Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820011363 607162061 /nfs/dbraw/zinc/16/20/61/607162061.db2.gz KAHODTFCCURWLP-UHFFFAOYSA-N -1 1 368.357 2.508 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826497430 607901119 /nfs/dbraw/zinc/90/11/19/607901119.db2.gz HBEWNWOPTLGURK-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826497430 607901120 /nfs/dbraw/zinc/90/11/20/607901120.db2.gz HBEWNWOPTLGURK-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1sccc1-c1nn[n-]n1 ZINC000826465794 609340683 /nfs/dbraw/zinc/34/06/83/609340683.db2.gz COECMPGYHFRCCH-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746052831 735459996 /nfs/dbraw/zinc/45/99/96/735459996.db2.gz YPNAKQYEEPMSNW-CYBMUJFWSA-N -1 1 364.851 2.978 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000038039561 727933614 /nfs/dbraw/zinc/93/36/14/727933614.db2.gz FEGAPNXVCQKRHC-UHFFFAOYSA-N -1 1 363.233 2.968 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000079305871 728311379 /nfs/dbraw/zinc/31/13/79/728311379.db2.gz DEFHVAKBVRYIOV-LLVKDONJSA-N -1 1 370.814 2.994 20 5 FFBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101574903 728486674 /nfs/dbraw/zinc/48/66/74/728486674.db2.gz FZVNSAAWSGEQEC-UHFFFAOYSA-N -1 1 371.758 2.635 20 5 FFBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000125484040 728684106 /nfs/dbraw/zinc/68/41/06/728684106.db2.gz FAXBJPUVVAXVQZ-UHFFFAOYSA-N -1 1 363.182 2.602 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000128927120 728709939 /nfs/dbraw/zinc/70/99/39/728709939.db2.gz CVOIBJSVMDCLBC-UHFFFAOYSA-N -1 1 354.334 2.841 20 5 FFBDMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751434860 735874698 /nfs/dbraw/zinc/87/46/98/735874698.db2.gz IPXIWQOXODOTJD-AWEZNQCLSA-N -1 1 364.851 2.714 20 5 FFBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCCC2 ZINC000174032731 729060962 /nfs/dbraw/zinc/06/09/62/729060962.db2.gz ISRNXTPHHZUNIC-KBPBESRZSA-N -1 1 372.418 2.750 20 5 FFBDMM CC(C)CCOCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195235689 729533349 /nfs/dbraw/zinc/53/33/49/729533349.db2.gz XJNIDZHSLXNANC-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000725819164 734393237 /nfs/dbraw/zinc/39/32/37/734393237.db2.gz GHQCUAYCDMDTHT-UHFFFAOYSA-N -1 1 370.814 2.996 20 5 FFBDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2C1 ZINC000783859910 738842909 /nfs/dbraw/zinc/84/29/09/738842909.db2.gz SOONWBRXDDUDCW-HNNXBMFYSA-N -1 1 362.407 2.818 20 5 FFBDMM O=C(NCc1ccc(Br)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000732300242 734731309 /nfs/dbraw/zinc/73/13/09/734731309.db2.gz GWGUAQVMQRGEBB-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000758460590 736491437 /nfs/dbraw/zinc/49/14/37/736491437.db2.gz MJYTYYZSSOGNAZ-AWEZNQCLSA-N -1 1 351.359 2.559 20 5 FFBDMM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000768892527 737473623 /nfs/dbraw/zinc/47/36/23/737473623.db2.gz VEZCQCLBKSOBEI-GFCCVEGCSA-N -1 1 370.456 2.790 20 5 FFBDMM COCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421133 739561925 /nfs/dbraw/zinc/56/19/25/739561925.db2.gz HTTBYEPIOZQAEB-SSDOTTSWSA-N -1 1 357.215 2.605 20 5 FFBDMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421086 739562147 /nfs/dbraw/zinc/56/21/47/739562147.db2.gz FMAIIEZPRWUTOW-MRVPVSSYSA-N -1 1 371.242 2.587 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795379792 740013115 /nfs/dbraw/zinc/01/31/15/740013115.db2.gz JLTXCBYMTDZURZ-SNVBAGLBSA-N -1 1 354.359 2.896 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1cccnc1 ZINC000798224504 740314190 /nfs/dbraw/zinc/31/41/90/740314190.db2.gz JRRMJVMATIKGBP-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM Cc1c([N+](=O)[O-])cc(C(=O)Nc2nc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000807367980 741130961 /nfs/dbraw/zinc/13/09/61/741130961.db2.gz AMJVUZQJQSVJEH-UHFFFAOYSA-N -1 1 352.690 2.818 20 5 FFBDMM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)no1 ZINC000809810108 741346074 /nfs/dbraw/zinc/34/60/74/741346074.db2.gz KQYXDHJWNHJAOB-UHFFFAOYSA-N -1 1 366.182 2.677 20 5 FFBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035014 741887792 /nfs/dbraw/zinc/88/77/92/741887792.db2.gz BUFLLYKSUPRJLS-UHFFFAOYSA-N -1 1 368.814 2.607 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000830503842 745371731 /nfs/dbraw/zinc/37/17/31/745371731.db2.gz AJSZIHAVSKZJIZ-LBPRGKRZSA-N -1 1 369.226 2.607 20 5 FFBDMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830615319 745393592 /nfs/dbraw/zinc/39/35/92/745393592.db2.gz YSICBQDFBGGRGK-QMMMGPOBSA-N -1 1 371.242 2.587 20 5 FFBDMM COC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000831653877 745561035 /nfs/dbraw/zinc/56/10/35/745561035.db2.gz BJRPLPJUENKWQL-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000831727876 745575903 /nfs/dbraw/zinc/57/59/03/745575903.db2.gz ANYRIYYCMNBZHF-MRVPVSSYSA-N -1 1 373.175 2.679 20 5 FFBDMM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841538795 747389822 /nfs/dbraw/zinc/38/98/22/747389822.db2.gz GUVIEXDSVLDYBZ-GFCCVEGCSA-N -1 1 367.402 2.819 20 5 FFBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000849436598 749152451 /nfs/dbraw/zinc/15/24/51/749152451.db2.gz LAXLWNAFTIVWKR-ZKCHVHJHSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])s1 ZINC000853637617 750123425 /nfs/dbraw/zinc/12/34/25/750123425.db2.gz UVUOEGPSLWZKPT-VIFPVBQESA-N -1 1 351.350 2.860 20 5 FFBDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000176422608 845710276 /nfs/dbraw/zinc/71/02/76/845710276.db2.gz PHGHDCLCFOQFDC-UHFFFAOYSA-N -1 1 370.818 2.506 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001595016720 951292859 /nfs/dbraw/zinc/29/28/59/951292859.db2.gz FSIUWORWBYGKMB-LBPRGKRZSA-N -1 1 360.370 2.722 20 5 FFBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001603610509 973885028 /nfs/dbraw/zinc/88/50/28/973885028.db2.gz ZDSITGSSGSHGGZ-QGZVFWFLSA-N -1 1 360.370 2.722 20 5 FFBDMM CC(C)n1cnnc1[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001592148478 977011361 /nfs/dbraw/zinc/01/13/61/977011361.db2.gz LZQBPNOSYIXYEO-CQSZACIVSA-N -1 1 373.413 2.845 20 5 FFBDMM C[C@@H](c1ccccc1)N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000910374040 981920100 /nfs/dbraw/zinc/92/01/00/981920100.db2.gz RWBQFFYASVUUJU-ZDUSSCGKSA-N -1 1 356.382 2.571 20 5 FFBDMM CCOc1cc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)ccc1[N+](=O)[O-] ZINC001597031581 986449889 /nfs/dbraw/zinc/44/98/89/986449889.db2.gz LVGCDFONYBSABH-ZUFFMMDNSA-N -1 1 364.398 2.589 20 5 FFBDMM O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1[N-]c1cnc([N+](=O)[O-])cn1 ZINC001170617874 994953867 /nfs/dbraw/zinc/95/38/67/994953867.db2.gz ZTFJLYFLIVRLIQ-GOSISDBHSA-N -1 1 374.360 2.613 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC001132551053 994995786 /nfs/dbraw/zinc/99/57/86/994995786.db2.gz RPHRUOOAEGDNRT-SNVBAGLBSA-N -1 1 350.356 2.559 20 5 FFBDMM Cc1cccc(CN2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000844206624 997725428 /nfs/dbraw/zinc/72/54/28/997725428.db2.gz GWJRZOPDKWDLIK-UHFFFAOYSA-N -1 1 369.421 2.853 20 5 FFBDMM CN1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000844210477 997728862 /nfs/dbraw/zinc/72/88/62/997728862.db2.gz YYDOFEHHVBPAQA-QGZVFWFLSA-N -1 1 369.421 2.585 20 5 FFBDMM COc1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])ccc1[N+](=O)[O-] ZINC000744913415 999883439 /nfs/dbraw/zinc/88/34/39/999883439.db2.gz ZHPMXSVKPKYCED-UHFFFAOYSA-N -1 1 359.334 2.911 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccco1 ZINC001188545803 1006620159 /nfs/dbraw/zinc/62/01/59/1006620159.db2.gz AVPGPUKGHOIBOF-LBPRGKRZSA-N -1 1 372.374 2.691 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC001152517071 1032182797 /nfs/dbraw/zinc/18/27/97/1032182797.db2.gz FZHXRLJUXXUYTE-UHFFFAOYSA-N -1 1 369.175 2.515 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1F ZINC001190429439 1007637827 /nfs/dbraw/zinc/63/78/27/1007637827.db2.gz PLVJIPKNRFUFTJ-SECBINFHSA-N -1 1 352.334 2.756 20 5 FFBDMM Cc1ccc(N2CCC[C@@H](OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000780070251 1019462100 /nfs/dbraw/zinc/46/21/00/1019462100.db2.gz VVDRYGFUHUZDOO-QGZVFWFLSA-N -1 1 370.361 2.961 20 5 FFBDMM COc1ccc(-c2noc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000780073136 1019498079 /nfs/dbraw/zinc/49/80/79/1019498079.db2.gz ZIINOIYWBAYRDN-UHFFFAOYSA-N -1 1 371.305 2.716 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1c(F)cccc1F ZINC000780076976 1019663109 /nfs/dbraw/zinc/66/31/09/1019663109.db2.gz ZIMCSLGABURNAV-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4CCC[NH2+]C[C@H]4F)cc3c([O-])c1-2 ZINC001217950219 1032916539 /nfs/dbraw/zinc/91/65/39/1032916539.db2.gz YGGWTJKGZHETQQ-BXUZGUMPSA-N -1 1 359.353 2.826 20 5 FFBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3nc4ccccc4c(Cl)c3[N+](=O)[O-])c2[nH]1 ZINC001159186679 1027301288 /nfs/dbraw/zinc/30/12/88/1027301288.db2.gz XELXKXUINHRMCS-UHFFFAOYSA-N -1 1 373.716 2.569 20 5 FFBDMM O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cncc([O-])c1 ZINC001161909687 1028359397 /nfs/dbraw/zinc/35/93/97/1028359397.db2.gz GQWIHSLYMAHQEF-GFCCVEGCSA-N -1 1 359.235 2.868 20 5 FFBDMM Cc1cccc(CN2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)c1 ZINC001149849251 1031604982 /nfs/dbraw/zinc/60/49/82/1031604982.db2.gz TWCFUVVLKHANQZ-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001151235999 1031897534 /nfs/dbraw/zinc/89/75/34/1031897534.db2.gz BRPANCFKVKLNIW-GOSISDBHSA-N -1 1 364.361 2.811 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])C[C@@H]21 ZINC001225665954 1034359420 /nfs/dbraw/zinc/35/94/20/1034359420.db2.gz DMDVGZAXWCXJFU-UTUOFQBUSA-N -1 1 365.386 2.862 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC[C@H](OC)c1ccccc1 ZINC001226308554 1034623877 /nfs/dbraw/zinc/62/38/77/1034623877.db2.gz XDDSJNDWVYQLME-ZDUSSCGKSA-N -1 1 362.338 2.639 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCOC3=O)c([N+](=O)[O-])c2)cc1 ZINC001227700562 1035683868 /nfs/dbraw/zinc/68/38/68/1035683868.db2.gz XKRRMKPDZFLQKP-OAHLLOKOSA-N -1 1 357.318 2.534 20 5 FFBDMM CC[C@H](C)OC(=O)N1CCCC[C@@H]1CCOc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141475 1035957801 /nfs/dbraw/zinc/95/78/01/1035957801.db2.gz QTSVEOPQBAFGDG-NWDGAFQWSA-N -1 1 368.390 2.649 20 5 FFBDMM O=C(c1cccnc1F)N1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394764 1036648919 /nfs/dbraw/zinc/64/89/19/1036648919.db2.gz BTAAZAIDGISTDE-LBPRGKRZSA-N -1 1 361.329 2.518 20 5 FFBDMM CC(=O)N1CCC[C@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742229 1037162459 /nfs/dbraw/zinc/16/24/59/1037162459.db2.gz OBXYXDVOHXXVIV-ZDUSSCGKSA-N -1 1 369.373 2.747 20 5 FFBDMM COC(=O)C[C@@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234748689 1037163755 /nfs/dbraw/zinc/16/37/55/1037163755.db2.gz IWCXJINAZVXMID-SECBINFHSA-N -1 1 374.345 2.696 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCCOC4)cc([O-])cc3oc21 ZINC001234750393 1037166689 /nfs/dbraw/zinc/16/66/89/1037166689.db2.gz ZZLHWGZGEOIERX-LLVKDONJSA-N -1 1 358.346 2.924 20 5 FFBDMM CC(C)c1nsc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)n1 ZINC001537176731 1070137086 /nfs/dbraw/zinc/13/70/86/1070137086.db2.gz YFINQFHPDLTVNM-UHFFFAOYSA-N -1 1 364.383 2.983 20 5 FFBDMM COCC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCCC1 ZINC001309586351 1043444709 /nfs/dbraw/zinc/44/47/09/1043444709.db2.gz DDNQMILMTASOAW-UHFFFAOYSA-N -1 1 360.407 2.527 20 5 FFBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c(C)c1 ZINC001309840214 1043549216 /nfs/dbraw/zinc/54/92/16/1043549216.db2.gz OWUXQPXTMYIJGZ-UHFFFAOYSA-N -1 1 353.375 2.533 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC2(CCC2)CO1 ZINC001309855084 1043558487 /nfs/dbraw/zinc/55/84/87/1043558487.db2.gz IIRSCUMJBVFBAJ-GFCCVEGCSA-N -1 1 374.846 2.876 20 5 FFBDMM O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc([O-])cc1O ZINC001320222420 1045371290 /nfs/dbraw/zinc/37/12/90/1045371290.db2.gz WSTIPAGTFRRNSZ-UHFFFAOYSA-N -1 1 369.688 2.838 20 5 FFBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(C)C ZINC001309265489 1052587479 /nfs/dbraw/zinc/58/74/79/1052587479.db2.gz GERHVFBFQUGGEF-CQSZACIVSA-N -1 1 362.423 2.772 20 5 FFBDMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001338104929 1055237417 /nfs/dbraw/zinc/23/74/17/1055237417.db2.gz VCOZGUNSSHLMPK-UHFFFAOYSA-N -1 1 364.321 2.628 20 5 FFBDMM CCc1nnc([N-]C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)s1 ZINC001442104254 1063501063 /nfs/dbraw/zinc/50/10/63/1063501063.db2.gz DUSLOHIFWPZOOD-UHFFFAOYSA-N -1 1 369.790 2.873 20 5 FFBDMM CC(C)c1nc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)n[nH]1 ZINC001469725122 1064201350 /nfs/dbraw/zinc/20/13/50/1064201350.db2.gz ZHNKTDHTIDQZFN-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CC(C)c1nnc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)[nH]1 ZINC001469725122 1064201356 /nfs/dbraw/zinc/20/13/56/1064201356.db2.gz ZHNKTDHTIDQZFN-UHFFFAOYSA-N -1 1 373.413 2.637 20 5 FFBDMM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1cccc([N+](=O)[O-])c1 ZINC001578423175 1078472564 /nfs/dbraw/zinc/47/25/64/1078472564.db2.gz LBBCERNYTDZBPG-CYBMUJFWSA-N -1 1 356.342 2.557 20 5 FFBDMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1cccc([N+](=O)[O-])c1 ZINC001578423175 1078472566 /nfs/dbraw/zinc/47/25/66/1078472566.db2.gz LBBCERNYTDZBPG-CYBMUJFWSA-N -1 1 356.342 2.557 20 5 FFBDMM O=[N+]([O-])c1cnc(NCc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC001582804809 1079109643 /nfs/dbraw/zinc/10/96/43/1079109643.db2.gz MVEXWUWWFKQEPH-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)c(F)cc1[N+](=O)[O-] ZINC001561576186 1076394533 /nfs/dbraw/zinc/39/45/33/1076394533.db2.gz AIJJHLQIPFDWGF-NSHDSACASA-N -1 1 371.217 2.905 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC2(CCC2)O1 ZINC001561980537 1076459480 /nfs/dbraw/zinc/45/94/80/1076459480.db2.gz VRHMCBNJWVCUFW-LLVKDONJSA-N -1 1 358.391 2.504 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])ccnc1-2 ZINC001586218803 1079577628 /nfs/dbraw/zinc/57/76/28/1079577628.db2.gz BFFYKGAOVRPBJD-UHFFFAOYSA-N -1 1 374.360 2.564 20 5 FFBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001589100339 1080354106 /nfs/dbraw/zinc/35/41/06/1080354106.db2.gz ZPLYDYTXLUSEPH-KWQFWETISA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001589100339 1080354115 /nfs/dbraw/zinc/35/41/15/1080354115.db2.gz ZPLYDYTXLUSEPH-KWQFWETISA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)(C)c1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001589227399 1080432517 /nfs/dbraw/zinc/43/25/17/1080432517.db2.gz VOZMSZXJSGFCCF-UHFFFAOYSA-N -1 1 367.369 2.720 20 5 FFBDMM CC(C)(C)c1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001589227399 1080432523 /nfs/dbraw/zinc/43/25/23/1080432523.db2.gz VOZMSZXJSGFCCF-UHFFFAOYSA-N -1 1 367.369 2.720 20 5 FFBDMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1[N+](=O)[O-] ZINC001589319793 1080480974 /nfs/dbraw/zinc/48/09/74/1080480974.db2.gz WAUCJXIMRGBTKC-UHFFFAOYSA-N -1 1 358.383 2.502 20 5 FFBDMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1[N+](=O)[O-] ZINC001589319793 1080480975 /nfs/dbraw/zinc/48/09/75/1080480975.db2.gz WAUCJXIMRGBTKC-UHFFFAOYSA-N -1 1 358.383 2.502 20 5 FFBDMM C[C@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC001589875877 1080823976 /nfs/dbraw/zinc/82/39/76/1080823976.db2.gz KAYWLABNZRLMKX-SNVBAGLBSA-N -1 1 366.385 2.658 20 5 FFBDMM C[C@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC001589875877 1080823984 /nfs/dbraw/zinc/82/39/84/1080823984.db2.gz KAYWLABNZRLMKX-SNVBAGLBSA-N -1 1 366.385 2.658 20 5 FFBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001590109449 1081019939 /nfs/dbraw/zinc/01/99/39/1081019939.db2.gz YPRKBMZGMULDCA-SECBINFHSA-N -1 1 371.323 2.585 20 5 FFBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001590109449 1081019944 /nfs/dbraw/zinc/01/99/44/1081019944.db2.gz YPRKBMZGMULDCA-SECBINFHSA-N -1 1 371.323 2.585 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000103525792 250158308 /nfs/dbraw/zinc/15/83/08/250158308.db2.gz RYHFDVRFMUNRBW-AWEZNQCLSA-N -1 1 363.757 2.563 20 5 FFBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000273353567 252288307 /nfs/dbraw/zinc/28/83/07/252288307.db2.gz YVBRLSDWOCQREP-UHFFFAOYSA-N -1 1 373.369 2.715 20 5 FFBDMM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C1)CCCC2 ZINC000275584607 256027057 /nfs/dbraw/zinc/02/70/57/256027057.db2.gz JFCNMPTWQCYXRU-CQSZACIVSA-N -1 1 370.409 2.771 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278881052 256357578 /nfs/dbraw/zinc/35/75/78/256357578.db2.gz GYPOJSYAVUVZBF-YFKPBYRVSA-N -1 1 362.289 2.662 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000290489491 257335373 /nfs/dbraw/zinc/33/53/73/257335373.db2.gz DQGOBCLXAHTAIK-GFCCVEGCSA-N -1 1 373.369 2.713 20 5 FFBDMM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000067430558 506877076 /nfs/dbraw/zinc/87/70/76/506877076.db2.gz BPDPKRSGBVJIGF-NSHDSACASA-N -1 1 370.452 2.965 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000045866260 507036650 /nfs/dbraw/zinc/03/66/50/507036650.db2.gz OILXFJAMRLNWQO-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000047211429 507284061 /nfs/dbraw/zinc/28/40/61/507284061.db2.gz NIUTYTBVAMFUTG-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000063442207 507730256 /nfs/dbraw/zinc/73/02/56/507730256.db2.gz YMXWFBUOFMWPGL-UHFFFAOYSA-N -1 1 366.395 2.811 20 5 FFBDMM CSc1nc(C)c(CCC(=O)Oc2cccc([N+](=O)[O-])c2C)c(=O)[n-]1 ZINC000051705675 507782030 /nfs/dbraw/zinc/78/20/30/507782030.db2.gz CJBGQVCPUDDVQH-UHFFFAOYSA-N -1 1 363.395 2.967 20 5 FFBDMM CC[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000072522100 507802634 /nfs/dbraw/zinc/80/26/34/507802634.db2.gz ZAIYXLFAFQCOFZ-LBPRGKRZSA-N -1 1 365.411 2.578 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(CN(C)C)c1 ZINC000073314370 507913593 /nfs/dbraw/zinc/91/35/93/507913593.db2.gz HBLZMRFJIHEYFE-UHFFFAOYSA-N -1 1 355.441 2.827 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1 ZINC000113428304 508267263 /nfs/dbraw/zinc/26/72/63/508267263.db2.gz DDWBITTVSPWJJR-UHFFFAOYSA-N -1 1 357.301 2.780 20 5 FFBDMM C[C@H](CCO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000077226380 508289786 /nfs/dbraw/zinc/28/97/86/508289786.db2.gz FTDDTWPUYOXTPW-GFCCVEGCSA-N -1 1 365.411 2.578 20 5 FFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000105618892 508378834 /nfs/dbraw/zinc/37/88/34/508378834.db2.gz IQXLSBIXSNNVQQ-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000159886711 508906753 /nfs/dbraw/zinc/90/67/53/508906753.db2.gz XNJHANCBWUDGQR-QMMMGPOBSA-N -1 1 373.818 2.763 20 5 FFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000131313568 508914704 /nfs/dbraw/zinc/91/47/04/508914704.db2.gz YWERLLPYGGIVJX-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131337472 508918097 /nfs/dbraw/zinc/91/80/97/508918097.db2.gz LMYIISCXIVRECH-UHFFFAOYSA-N -1 1 365.773 2.890 20 5 FFBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000160480278 508993196 /nfs/dbraw/zinc/99/31/96/508993196.db2.gz HSABQOSRBRDYPQ-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1[N+](=O)[O-] ZINC000121108486 509130158 /nfs/dbraw/zinc/13/01/58/509130158.db2.gz JYHLECBZHKWPAR-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000182412950 509225503 /nfs/dbraw/zinc/22/55/03/509225503.db2.gz QITKIVVITIMLFN-UHFFFAOYSA-N -1 1 372.834 2.579 20 5 FFBDMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000185742976 509334403 /nfs/dbraw/zinc/33/44/03/509334403.db2.gz ILJRLACBKZJIBK-DYVFJYSZSA-N -1 1 371.393 2.914 20 5 FFBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000174029780 509913473 /nfs/dbraw/zinc/91/34/73/509913473.db2.gz MZPCWNKMYHBEPB-WDEREUQCSA-N -1 1 360.457 2.672 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000186966457 509978919 /nfs/dbraw/zinc/97/89/19/509978919.db2.gz AAGWZJDZMJGWDW-UHFFFAOYSA-N -1 1 359.357 2.929 20 5 FFBDMM Cc1cc(C(=O)NCC(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000184093058 510128934 /nfs/dbraw/zinc/12/89/34/510128934.db2.gz OQQTVANANHSIQH-UHFFFAOYSA-N -1 1 363.757 2.631 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)COCc1ccccc1 ZINC000194407940 510348695 /nfs/dbraw/zinc/34/86/95/510348695.db2.gz QTYGXFIWWQMYAZ-GFCCVEGCSA-N -1 1 370.452 2.788 20 5 FFBDMM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000270553193 510904882 /nfs/dbraw/zinc/90/48/82/510904882.db2.gz GTQYUONOZWTXDQ-QMMMGPOBSA-N -1 1 373.822 2.529 20 5 FFBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000270553193 510904886 /nfs/dbraw/zinc/90/48/86/510904886.db2.gz GTQYUONOZWTXDQ-QMMMGPOBSA-N -1 1 373.822 2.529 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCO1 ZINC000295098515 511281491 /nfs/dbraw/zinc/28/14/91/511281491.db2.gz GCIIAOOJGCFGQH-HTQZYQBOSA-N -1 1 369.226 2.747 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000291993351 511422352 /nfs/dbraw/zinc/42/23/52/511422352.db2.gz KJNRGTWMDVEAST-UHFFFAOYSA-N -1 1 373.818 2.976 20 5 FFBDMM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000272179758 511455803 /nfs/dbraw/zinc/45/58/03/511455803.db2.gz LHFXWBOOWFJFCI-NXEZZACHSA-N -1 1 356.247 2.505 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000364279160 512062815 /nfs/dbraw/zinc/06/28/15/512062815.db2.gz DIELCFLUHVUXIW-UHFFFAOYSA-N -1 1 363.320 2.993 20 5 FFBDMM COc1ccc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000376110834 512665881 /nfs/dbraw/zinc/66/58/81/512665881.db2.gz GOKXDHCBASDSTC-UHFFFAOYSA-N -1 1 357.366 2.724 20 5 FFBDMM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440268001 513284932 /nfs/dbraw/zinc/28/49/32/513284932.db2.gz OGJZIYKAFMQKRP-UHFFFAOYSA-N -1 1 360.757 2.803 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH]n2)o1 ZINC000446627306 513300182 /nfs/dbraw/zinc/30/01/82/513300182.db2.gz ZVGUCYJTOVIJSS-UHFFFAOYSA-N -1 1 366.330 2.826 20 5 FFBDMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440670214 513377729 /nfs/dbraw/zinc/37/77/29/513377729.db2.gz XVAPZETYSQHZOW-RHSMWYFYSA-N -1 1 371.393 2.902 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(F)F ZINC000451069865 513498144 /nfs/dbraw/zinc/49/81/44/513498144.db2.gz GURYRTMNBRXLHW-LURJTMIESA-N -1 1 373.175 2.679 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000416412051 513758339 /nfs/dbraw/zinc/75/83/39/513758339.db2.gz BLZPDAPAOXGBIX-CYBMUJFWSA-N -1 1 368.411 2.779 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000436505017 513877192 /nfs/dbraw/zinc/87/71/92/513877192.db2.gz OMRJZYJNEUEWGW-UHFFFAOYSA-N -1 1 359.338 2.528 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c(F)c1 ZINC000451640758 513880433 /nfs/dbraw/zinc/88/04/33/513880433.db2.gz LWYDPFRIDQSMLV-SECBINFHSA-N -1 1 352.334 2.838 20 5 FFBDMM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000451676840 513905412 /nfs/dbraw/zinc/90/54/12/513905412.db2.gz TWZCBDJCDIWJSP-BXKDBHETSA-N -1 1 350.824 2.588 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c([N+](=O)[O-])c1 ZINC000431621327 513946767 /nfs/dbraw/zinc/94/67/67/513946767.db2.gz MFZLQZJPJUPICF-CQSZACIVSA-N -1 1 372.349 2.888 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2ccncc2)n1 ZINC000437325050 514140368 /nfs/dbraw/zinc/14/03/68/514140368.db2.gz NTSSDYGVIFQZDP-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438464229 514384093 /nfs/dbraw/zinc/38/40/93/514384093.db2.gz YUWMJSDEUCMZSQ-PRHODGIISA-N -1 1 351.721 2.774 20 5 FFBDMM CCOc1cc(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)cc(Cl)c1[O-] ZINC000445575689 514494796 /nfs/dbraw/zinc/49/47/96/514494796.db2.gz GCMDPUAUYKHSJI-UHFFFAOYSA-N -1 1 365.733 2.803 20 5 FFBDMM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000480200513 514878206 /nfs/dbraw/zinc/87/82/06/514878206.db2.gz SUKGMKOKQFNPOL-VIFPVBQESA-N -1 1 354.388 2.577 20 5 FFBDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000490566744 515250418 /nfs/dbraw/zinc/25/04/18/515250418.db2.gz HSYKIXGPYIAJCF-UHFFFAOYSA-N -1 1 367.427 2.939 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456705061 515367173 /nfs/dbraw/zinc/36/71/73/515367173.db2.gz RRFYVVDKSLEWAW-AWEZNQCLSA-N -1 1 367.365 2.939 20 5 FFBDMM CCc1nc(C)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000481885127 515499302 /nfs/dbraw/zinc/49/93/02/515499302.db2.gz QIPHXHPACIZEAX-UHFFFAOYSA-N -1 1 355.441 2.907 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000463445157 515503732 /nfs/dbraw/zinc/50/37/32/515503732.db2.gz TWKOZPJDHNETNH-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000510506827 515561807 /nfs/dbraw/zinc/56/18/07/515561807.db2.gz UWRBUPVKVLMDNA-UHFFFAOYSA-N -1 1 358.725 2.869 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC000493104535 515597840 /nfs/dbraw/zinc/59/78/40/515597840.db2.gz JFNUVAZZAXEBFE-UHFFFAOYSA-N -1 1 360.395 2.899 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c1C ZINC000474425056 516041630 /nfs/dbraw/zinc/04/16/30/516041630.db2.gz IEDPHGTXSMAQET-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000523730577 516561814 /nfs/dbraw/zinc/56/18/14/516561814.db2.gz AESUYXSBJUNPLQ-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000531780897 516638748 /nfs/dbraw/zinc/63/87/48/516638748.db2.gz YCIGSAVGOCFFLM-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541069596 516857827 /nfs/dbraw/zinc/85/78/27/516857827.db2.gz IOBBIVNPEJCLAA-UHFFFAOYSA-N -1 1 366.395 2.811 20 5 FFBDMM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532776016 517139457 /nfs/dbraw/zinc/13/94/57/517139457.db2.gz GOHGPODHFIWVFF-GFCCVEGCSA-N -1 1 367.452 2.839 20 5 FFBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000538225088 517514639 /nfs/dbraw/zinc/51/46/39/517514639.db2.gz TZHZMRYODUXHRI-CQSZACIVSA-N -1 1 358.405 2.921 20 5 FFBDMM COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000521380073 517710351 /nfs/dbraw/zinc/71/03/51/517710351.db2.gz JKJDHUUKTWLFEL-JTQLQIEISA-N -1 1 361.354 2.512 20 5 FFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000569987501 518389424 /nfs/dbraw/zinc/38/94/24/518389424.db2.gz PHBRAPYYLKNFEB-LLVKDONJSA-N -1 1 356.322 2.613 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)c1 ZINC000567475661 518543760 /nfs/dbraw/zinc/54/37/60/518543760.db2.gz SBXHWDHCFUAUGW-UHFFFAOYSA-N -1 1 355.394 2.658 20 5 FFBDMM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000570327678 518552054 /nfs/dbraw/zinc/55/20/54/518552054.db2.gz OFNIVGDZEWFVIK-LLVKDONJSA-N -1 1 369.299 2.846 20 5 FFBDMM Cc1cc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576519915 518632577 /nfs/dbraw/zinc/63/25/77/518632577.db2.gz IPRARGVOESJWIB-BETUJISGSA-N -1 1 365.430 2.901 20 5 FFBDMM Cc1cc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576519929 518632636 /nfs/dbraw/zinc/63/26/36/518632636.db2.gz IPRARGVOESJWIB-STQMWFEESA-N -1 1 365.430 2.901 20 5 FFBDMM COCC1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000565367878 518921937 /nfs/dbraw/zinc/92/19/37/518921937.db2.gz SPQMRWKDXLNQHN-UHFFFAOYSA-N -1 1 366.414 2.695 20 5 FFBDMM O=C([O-])c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000568404204 519022842 /nfs/dbraw/zinc/02/28/42/519022842.db2.gz INLCNXVRKZEHJE-UHFFFAOYSA-N -1 1 357.366 2.731 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)ccc1[O-] ZINC000590761816 519356334 /nfs/dbraw/zinc/35/63/34/519356334.db2.gz VKLKODAXXGNSCF-UHFFFAOYSA-N -1 1 372.362 2.558 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000577989820 519358758 /nfs/dbraw/zinc/35/87/58/519358758.db2.gz VFMUJOKYNZJTIH-OLZOCXBDSA-N -1 1 368.436 2.855 20 5 FFBDMM CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000566510702 519528100 /nfs/dbraw/zinc/52/81/00/519528100.db2.gz YDGOKJITNQFJHO-DGCLKSJQSA-N -1 1 362.304 2.678 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1C ZINC000609494602 520333291 /nfs/dbraw/zinc/33/32/91/520333291.db2.gz CWHGHYQWRZGUFB-HSZRJFAPSA-N -1 1 368.436 2.750 20 5 FFBDMM CNc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000603879263 520390429 /nfs/dbraw/zinc/39/04/29/520390429.db2.gz LZNHPPYKYXFOAV-UHFFFAOYSA-N -1 1 353.338 2.985 20 5 FFBDMM CCOc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000603981324 520420590 /nfs/dbraw/zinc/42/05/90/520420590.db2.gz ZWUUMZNETRKNKK-UHFFFAOYSA-N -1 1 352.368 2.803 20 5 FFBDMM C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)n1cccn1 ZINC000604103552 520450533 /nfs/dbraw/zinc/45/05/33/520450533.db2.gz ARTSIAWHCQZVKZ-NSHDSACASA-N -1 1 368.353 2.571 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc2n1 ZINC000610032116 520512259 /nfs/dbraw/zinc/51/22/59/520512259.db2.gz CDMKTGDWGXQNEN-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610087330 520534907 /nfs/dbraw/zinc/53/49/07/520534907.db2.gz XWJLOJIFQOAQAA-VIFPVBQESA-N -1 1 365.249 2.928 20 5 FFBDMM CC(C)c1ccc(C(C)(C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599233858 521099161 /nfs/dbraw/zinc/09/91/61/521099161.db2.gz UXPRPPPEUYSJNU-UHFFFAOYSA-N -1 1 366.443 2.665 20 5 FFBDMM COc1ccc(OCCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000593744616 521187843 /nfs/dbraw/zinc/18/78/43/521187843.db2.gz SAMBSJBTIZXCHE-INIZCTEOSA-N -1 1 372.377 2.666 20 5 FFBDMM COc1cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593747779 521189115 /nfs/dbraw/zinc/18/91/15/521189115.db2.gz CEAZYDJHIDZANP-KOLCDFICSA-N -1 1 374.340 2.747 20 5 FFBDMM CCOc1cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000593749371 521191003 /nfs/dbraw/zinc/19/10/03/521191003.db2.gz UFKUMDXKVNKTRO-CQSZACIVSA-N -1 1 362.304 2.833 20 5 FFBDMM COc1ccc(OCCN2CCc3cccc(C(=O)[O-])c3C2)c([N+](=O)[O-])c1 ZINC000593752518 521193763 /nfs/dbraw/zinc/19/37/63/521193763.db2.gz NJQNWRWBEYYZOL-UHFFFAOYSA-N -1 1 372.377 2.739 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000619865228 521908923 /nfs/dbraw/zinc/90/89/23/521908923.db2.gz GXUJZKLQGIKTGE-UHFFFAOYSA-N -1 1 360.351 2.962 20 5 FFBDMM O=C(N=c1ccc(O)n[n-]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485767652 561327423 /nfs/dbraw/zinc/32/74/23/561327423.db2.gz FMUJPZJXYGWWMS-UHFFFAOYSA-N -1 1 366.333 2.922 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000738374620 599324810 /nfs/dbraw/zinc/32/48/10/599324810.db2.gz QYQRNXOZUQCIOC-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2)c(-c2nn[n-]n2)c1 ZINC000738374620 599324813 /nfs/dbraw/zinc/32/48/13/599324813.db2.gz QYQRNXOZUQCIOC-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=C([O-])c1cc(F)ccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833298932 601013426 /nfs/dbraw/zinc/01/34/26/601013426.db2.gz IQRAXJWUIMOLDS-CYBMUJFWSA-N -1 1 360.345 2.514 20 5 FFBDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000825273191 604022788 /nfs/dbraw/zinc/02/27/88/604022788.db2.gz PAZLSCNZNTUKDI-ZFWWWQNUSA-N -1 1 373.413 2.784 20 5 FFBDMM Cc1nn(CN2CCC([C@@H](C)NC(=O)[O-])CC2)c2ccc([N+](=O)[O-])cc12 ZINC000830871033 604736746 /nfs/dbraw/zinc/73/67/46/604736746.db2.gz PHKSWEBLEFSRNS-LLVKDONJSA-N -1 1 361.402 2.579 20 5 FFBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823414349 606133170 /nfs/dbraw/zinc/13/31/70/606133170.db2.gz VKXNSWCKGSKQTD-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823414349 606133171 /nfs/dbraw/zinc/13/31/71/606133171.db2.gz VKXNSWCKGSKQTD-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000820767128 606645512 /nfs/dbraw/zinc/64/55/12/606645512.db2.gz GKTCOXQEVQFTTB-SJCJKPOMSA-N -1 1 366.381 2.741 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Br)cc1 ZINC000823629600 607161936 /nfs/dbraw/zinc/16/19/36/607161936.db2.gz BHMBDJMPKFECGY-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Br)cc1 ZINC000823629600 607161938 /nfs/dbraw/zinc/16/19/38/607161938.db2.gz BHMBDJMPKFECGY-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM COc1ccc([C@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821787030 607162475 /nfs/dbraw/zinc/16/24/75/607162475.db2.gz NHSWFKHZDWIOSE-CQSZACIVSA-N -1 1 367.369 2.520 20 5 FFBDMM COc1ccc([C@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821787030 607162477 /nfs/dbraw/zinc/16/24/77/607162477.db2.gz NHSWFKHZDWIOSE-CQSZACIVSA-N -1 1 367.369 2.520 20 5 FFBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)o1 ZINC000826450975 607878340 /nfs/dbraw/zinc/87/83/40/607878340.db2.gz KYRXTVMZAXHRKX-UHFFFAOYSA-N -1 1 369.124 2.927 20 5 FFBDMM CCOCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000156840219 728860436 /nfs/dbraw/zinc/86/04/36/728860436.db2.gz JRRAQHKJCRNDFB-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000157287161 728869437 /nfs/dbraw/zinc/86/94/37/728869437.db2.gz WWFFOGNIJVCGSL-UHOFOFEASA-N -1 1 362.382 2.741 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000074973714 728241976 /nfs/dbraw/zinc/24/19/76/728241976.db2.gz GECOAURSHICJLW-GFCCVEGCSA-N -1 1 350.824 2.588 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000101575624 728486756 /nfs/dbraw/zinc/48/67/56/728486756.db2.gz QGZFCPBIDXESJT-UHFFFAOYSA-N -1 1 362.835 2.876 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000147023379 728743094 /nfs/dbraw/zinc/74/30/94/728743094.db2.gz IXJVXQSQGIJVNN-GFCCVEGCSA-N -1 1 367.402 2.537 20 5 FFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174729216 729077728 /nfs/dbraw/zinc/07/77/28/729077728.db2.gz FJXCGHXRPXZRAW-UHFFFAOYSA-N -1 1 356.787 2.850 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2c(F)cccc2F)CCC1 ZINC000859433734 730454637 /nfs/dbraw/zinc/45/46/37/730454637.db2.gz NBMYJCMFIKLDNN-UHFFFAOYSA-N -1 1 369.349 2.626 20 5 FFBDMM C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000863738402 730805475 /nfs/dbraw/zinc/80/54/75/730805475.db2.gz AOSHDIBDTIWICD-UWVGGRQHSA-N -1 1 357.204 2.900 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000728297916 734522909 /nfs/dbraw/zinc/52/29/09/734522909.db2.gz NXEAOWSGEFABMM-UHFFFAOYSA-N -1 1 350.371 2.958 20 5 FFBDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2C1 ZINC000783859911 738842875 /nfs/dbraw/zinc/84/28/75/738842875.db2.gz SOONWBRXDDUDCW-OAHLLOKOSA-N -1 1 362.407 2.818 20 5 FFBDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2C1 ZINC000783864967 738843636 /nfs/dbraw/zinc/84/36/36/738843636.db2.gz YKFDZRXHZXBFNT-MRXNPFEDSA-N -1 1 362.407 2.818 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000784217872 738870289 /nfs/dbraw/zinc/87/02/89/738870289.db2.gz VLURDMKMCMUGOQ-SNVBAGLBSA-N -1 1 365.363 2.622 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000758169504 736458342 /nfs/dbraw/zinc/45/83/42/736458342.db2.gz FSYAYXOKDXKZRP-UHFFFAOYSA-N -1 1 364.305 2.812 20 5 FFBDMM O=C([N-]c1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1Br ZINC000760830917 736672108 /nfs/dbraw/zinc/67/21/08/736672108.db2.gz ILZARKIKTMEOQQ-UHFFFAOYSA-N -1 1 353.132 2.870 20 5 FFBDMM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768849206 737466645 /nfs/dbraw/zinc/46/66/45/737466645.db2.gz VOEWUUFYEPNZHX-UHFFFAOYSA-N -1 1 362.429 2.996 20 5 FFBDMM CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918643634 737815678 /nfs/dbraw/zinc/81/56/78/737815678.db2.gz VYUNVPVSJWYVFY-UHFFFAOYSA-N -1 1 350.762 2.968 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000921856379 738057282 /nfs/dbraw/zinc/05/72/82/738057282.db2.gz RVMHZVGHCYWINS-RISCZKNCSA-N -1 1 374.846 2.732 20 5 FFBDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000776868836 738240050 /nfs/dbraw/zinc/24/00/50/738240050.db2.gz SAPDTAQMJQDHBJ-VIFPVBQESA-N -1 1 366.374 2.966 20 5 FFBDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788215863 739218636 /nfs/dbraw/zinc/21/86/36/739218636.db2.gz BPKUIYJQUHEOFA-UHFFFAOYSA-N -1 1 372.834 2.907 20 5 FFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Br)n[nH]1 ZINC000788310131 739232512 /nfs/dbraw/zinc/23/25/12/739232512.db2.gz UTCVTKBOYBWANR-UHFFFAOYSA-N -1 1 361.539 2.692 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1 ZINC000788718671 739275954 /nfs/dbraw/zinc/27/59/54/739275954.db2.gz OWPAGLMKWJZUIG-GJZGRUSLSA-N -1 1 370.452 2.693 20 5 FFBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797431684 740246316 /nfs/dbraw/zinc/24/63/16/740246316.db2.gz ULHHPACETWSHIN-UHFFFAOYSA-N -1 1 363.182 2.602 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(C)o1 ZINC000800052470 740479297 /nfs/dbraw/zinc/47/92/97/740479297.db2.gz YACYHHRQMIVRJP-UHFFFAOYSA-N -1 1 372.330 2.531 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809828485 741350129 /nfs/dbraw/zinc/35/01/29/741350129.db2.gz LWZTWOKMBDKVOG-JTQLQIEISA-N -1 1 369.226 2.605 20 5 FFBDMM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831510 741350770 /nfs/dbraw/zinc/35/07/70/741350770.db2.gz FDRPQMFUKLTIFP-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834515 741351435 /nfs/dbraw/zinc/35/14/35/741351435.db2.gz APKNGEGEGVTJAO-NKWVEPMBSA-N -1 1 357.215 2.603 20 5 FFBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000809986826 741370248 /nfs/dbraw/zinc/37/02/48/741370248.db2.gz PHMHCYCICWVQHM-UHFFFAOYSA-N -1 1 374.300 2.898 20 5 FFBDMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000810096946 741385377 /nfs/dbraw/zinc/38/53/77/741385377.db2.gz APKNGEGEGVTJAO-RNFRBKRXSA-N -1 1 357.215 2.603 20 5 FFBDMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021050 741883953 /nfs/dbraw/zinc/88/39/53/741883953.db2.gz KIVMFFGWLFCYFJ-YUMQZZPRSA-N -1 1 368.839 2.950 20 5 FFBDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021364 741884570 /nfs/dbraw/zinc/88/45/70/741884570.db2.gz NPZVBRKYSCFCGR-MRVPVSSYSA-N -1 1 368.814 2.869 20 5 FFBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000817881774 742220470 /nfs/dbraw/zinc/22/04/70/742220470.db2.gz OGNCDDDPEJODQI-UWVGGRQHSA-N -1 1 357.204 2.900 20 5 FFBDMM CC[C@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC ZINC000832124953 745640531 /nfs/dbraw/zinc/64/05/31/745640531.db2.gz UWQDEZLCKXIHKR-GFCCVEGCSA-N -1 1 371.242 2.995 20 5 FFBDMM Cc1cc(F)cc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000832887617 745765654 /nfs/dbraw/zinc/76/56/54/745765654.db2.gz QXCWZVXGMCBTAT-UHFFFAOYSA-N -1 1 368.346 2.553 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])s1 ZINC001561576238 1076394316 /nfs/dbraw/zinc/39/43/16/1076394316.db2.gz BYYWQVDQKXZGTQ-SECBINFHSA-N -1 1 359.256 2.827 20 5 FFBDMM CC(C)c1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001592028296 976725136 /nfs/dbraw/zinc/72/51/36/976725136.db2.gz ACUHZHGWHSONOC-UHFFFAOYSA-N -1 1 351.340 2.831 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])s1 ZINC001127115023 984417248 /nfs/dbraw/zinc/41/72/48/984417248.db2.gz PBLYLRHZIQVENA-UHFFFAOYSA-N -1 1 370.774 2.837 20 5 FFBDMM C[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599930148 985297173 /nfs/dbraw/zinc/29/71/73/985297173.db2.gz QLBUOUPRWMRLTG-XPTSAGLGSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2F)C[C@H](C)O1 ZINC000918600053 990447647 /nfs/dbraw/zinc/44/76/47/990447647.db2.gz KTBSOYJEKMYPCQ-QWRGUYRKSA-N -1 1 362.361 2.928 20 5 FFBDMM COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC001599501136 997123543 /nfs/dbraw/zinc/12/35/43/997123543.db2.gz HYJOSKCROWWBKF-UHFFFAOYSA-N -1 1 358.350 2.566 20 5 FFBDMM COc1ccc(C)cc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599534551 997719713 /nfs/dbraw/zinc/71/97/13/997719713.db2.gz MDTYEYGIMCITNT-UHFFFAOYSA-N -1 1 360.366 2.665 20 5 FFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001594207548 998799968 /nfs/dbraw/zinc/79/99/68/998799968.db2.gz FXWXXHLNDLKEEY-GHMZBOCLSA-N -1 1 350.371 2.535 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000744695008 999869175 /nfs/dbraw/zinc/86/91/75/999869175.db2.gz VLMSMJBXNGHTMF-UHFFFAOYSA-N -1 1 359.334 2.668 20 5 FFBDMM C[C@@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745523280 999917514 /nfs/dbraw/zinc/91/75/14/999917514.db2.gz YZJXKXHYTDIZIB-MRVPVSSYSA-N -1 1 366.276 2.763 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1Cc1ccccc1 ZINC001196013089 1003634732 /nfs/dbraw/zinc/63/47/32/1003634732.db2.gz ZJOPTTZXWXGBQX-UONOGXRCSA-N -1 1 364.398 2.891 20 5 FFBDMM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001191643079 1003913390 /nfs/dbraw/zinc/91/33/90/1003913390.db2.gz BQKOYCOLWUDLMI-VIFPVBQESA-N -1 1 371.440 2.662 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2ccccc2C1 ZINC001195594152 1004994411 /nfs/dbraw/zinc/99/44/11/1004994411.db2.gz SQYAGADQVKKPTG-AWEZNQCLSA-N -1 1 364.398 2.960 20 5 FFBDMM C[C@@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001188994837 1006836883 /nfs/dbraw/zinc/83/68/83/1006836883.db2.gz JWPANYOSDGAKMU-MLGOLLRUSA-N -1 1 361.423 2.982 20 5 FFBDMM Cc1ccc(N2CC[C@H](OC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000780074209 1019560916 /nfs/dbraw/zinc/56/09/16/1019560916.db2.gz HXYQFXHQWPGBIK-INIZCTEOSA-N -1 1 356.334 2.571 20 5 FFBDMM CC[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000780077346 1019637645 /nfs/dbraw/zinc/63/76/45/1019637645.db2.gz XDCAFYOBDXRXLL-MRXNPFEDSA-N -1 1 358.350 2.552 20 5 FFBDMM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076091 1019649510 /nfs/dbraw/zinc/64/95/10/1019649510.db2.gz RIJCWJWXRVREMG-CYBMUJFWSA-N -1 1 372.377 2.813 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001157156407 1029482812 /nfs/dbraw/zinc/48/28/12/1029482812.db2.gz BJANXTGDLBZGFI-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM O=C(CSc1ccc2c(c1)CCO2)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001166320926 1030362702 /nfs/dbraw/zinc/36/27/02/1030362702.db2.gz JSSGLJYDGKIJOP-UHFFFAOYSA-N -1 1 358.375 2.578 20 5 FFBDMM O=C(OCc1nc(Cc2cccc(F)c2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784218819 1030514579 /nfs/dbraw/zinc/51/45/79/1030514579.db2.gz XHZIAWKTACMVBD-UHFFFAOYSA-N -1 1 373.296 2.770 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225662123 1034354419 /nfs/dbraw/zinc/35/44/19/1034354419.db2.gz QTVBQGZDJPAMBG-NSHDSACASA-N -1 1 353.375 2.864 20 5 FFBDMM Cc1nc(=O)[n-]c(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c1Cl ZINC001227111419 1034938553 /nfs/dbraw/zinc/93/85/53/1034938553.db2.gz LOFLNSLBLJPYCE-VIFPVBQESA-N -1 1 368.752 2.849 20 5 FFBDMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001139346330 1035067892 /nfs/dbraw/zinc/06/78/92/1035067892.db2.gz XUXAEFPMRPUKTB-UHFFFAOYSA-N -1 1 360.757 2.689 20 5 FFBDMM O=[N+]([O-])C[C@H](Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1)C1CC1 ZINC001228170808 1035972076 /nfs/dbraw/zinc/97/20/76/1035972076.db2.gz CSBAWDPUALDKQU-KRWDZBQOSA-N -1 1 363.391 2.659 20 5 FFBDMM CCC[C@@H](CC(=O)OC)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861048 1036367677 /nfs/dbraw/zinc/36/76/77/1036367677.db2.gz ZYGKMKOCVKKULC-ZETCQYMHSA-N -1 1 352.265 2.825 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCN(c3ccnc(Cl)n3)CC2)c1 ZINC001229395761 1036650049 /nfs/dbraw/zinc/65/00/49/1036650049.db2.gz LFJVKKJCXFQESV-UHFFFAOYSA-N -1 1 350.762 2.792 20 5 FFBDMM Cc1cc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1[N+](=O)[O-] ZINC001229749554 1036868048 /nfs/dbraw/zinc/86/80/48/1036868048.db2.gz DGJMKXOPMSYXMT-HZMBPMFUSA-N -1 1 356.350 2.945 20 5 FFBDMM COC(=O)[C@H]1C[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234745217 1037162667 /nfs/dbraw/zinc/16/26/67/1037162667.db2.gz SJMWRZDDUIDDOY-OTCDBFHCSA-N -1 1 356.330 2.688 20 5 FFBDMM O=C1CCCC[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751238 1037167097 /nfs/dbraw/zinc/16/70/97/1037167097.db2.gz VGIYLKHMZRYZLR-AWEZNQCLSA-N -1 1 356.330 2.954 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1 ZINC001231260913 1037516058 /nfs/dbraw/zinc/51/60/58/1037516058.db2.gz XCHGQYMVBUPAMY-JQWIXIFHSA-N -1 1 371.365 2.730 20 5 FFBDMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001210269896 1039461133 /nfs/dbraw/zinc/46/11/33/1039461133.db2.gz SLNRITYYZDKZNC-NSHDSACASA-N -1 1 366.395 2.657 20 5 FFBDMM COc1cc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c(OC)c1 ZINC001216758952 1042115372 /nfs/dbraw/zinc/11/53/72/1042115372.db2.gz JVZXNKLSWBHFBH-UHFFFAOYSA-N -1 1 362.273 2.569 20 5 FFBDMM Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)c1 ZINC001301781958 1050981467 /nfs/dbraw/zinc/98/14/67/1050981467.db2.gz HJGXWGGPZDVEDL-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM Cc1cccc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)c1 ZINC001301781958 1050981478 /nfs/dbraw/zinc/98/14/78/1050981478.db2.gz HJGXWGGPZDVEDL-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM CC(C)(C)c1ccc(OCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001306212313 1052067262 /nfs/dbraw/zinc/06/72/62/1052067262.db2.gz XMTRRIXFVKUYFM-UHFFFAOYSA-N -1 1 359.382 2.802 20 5 FFBDMM Cc1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]c1=O ZINC001307346594 1052290309 /nfs/dbraw/zinc/29/03/09/1052290309.db2.gz BDYMNZQUIXXICV-UHFFFAOYSA-N -1 1 354.775 2.783 20 5 FFBDMM CSc1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc(=O)[n-]1 ZINC001476584963 1061437013 /nfs/dbraw/zinc/43/70/13/1061437013.db2.gz KBYBOHYDFKWXEK-UHFFFAOYSA-N -1 1 369.790 2.787 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]c1Cl ZINC001462922711 1061845891 /nfs/dbraw/zinc/84/58/91/1061845891.db2.gz YTVQLLFOFZHKPE-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C2)cc1F ZINC001463943729 1062344396 /nfs/dbraw/zinc/34/43/96/1062344396.db2.gz AXGDPOITBUFVFY-PHIMTYICSA-N -1 1 360.407 2.667 20 5 FFBDMM CN(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nn[n-]n1 ZINC001532481469 1063086252 /nfs/dbraw/zinc/08/62/52/1063086252.db2.gz XXBKTEVFNDGPDD-UHFFFAOYSA-N -1 1 356.367 2.536 20 5 FFBDMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc([N+](=O)[O-])ccc1SCCO ZINC001469159843 1064100408 /nfs/dbraw/zinc/10/04/08/1064100408.db2.gz FVDNELAZIWDQCL-UHFFFAOYSA-N -1 1 370.333 2.915 20 5 FFBDMM COC(=O)Nc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001579466521 1078632179 /nfs/dbraw/zinc/63/21/79/1078632179.db2.gz YNPMCANMFGDIND-UHFFFAOYSA-N -1 1 355.314 2.697 20 5 FFBDMM COC(=O)Nc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001579466521 1078632181 /nfs/dbraw/zinc/63/21/81/1078632181.db2.gz YNPMCANMFGDIND-UHFFFAOYSA-N -1 1 355.314 2.697 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC=C(c2cccnc2)C1 ZINC001582804877 1079111451 /nfs/dbraw/zinc/11/14/51/1079111451.db2.gz PSVKAWCALFPKJT-UHFFFAOYSA-N -1 1 355.383 2.525 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC=C(c2cccnc2)C1 ZINC001582804877 1079111452 /nfs/dbraw/zinc/11/14/52/1079111452.db2.gz PSVKAWCALFPKJT-UHFFFAOYSA-N -1 1 355.383 2.525 20 5 FFBDMM O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001584800128 1079390519 /nfs/dbraw/zinc/39/05/19/1079390519.db2.gz HULZTRUCQKYGEA-UHFFFAOYSA-N -1 1 360.395 2.700 20 5 FFBDMM CN(CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001557737486 1075882096 /nfs/dbraw/zinc/88/20/96/1075882096.db2.gz HORQOIUQQFZGTJ-UHFFFAOYSA-N -1 1 367.365 2.561 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC001561452306 1076378539 /nfs/dbraw/zinc/37/85/39/1076378539.db2.gz WZDNVYZNJNWDMW-LBPRGKRZSA-N -1 1 361.423 2.908 20 5 FFBDMM CCSc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001561872608 1076437363 /nfs/dbraw/zinc/43/73/63/1076437363.db2.gz ZTAGPGUIAXLVNW-UHFFFAOYSA-N -1 1 353.425 2.580 20 5 FFBDMM COc1cnc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2C)[n-]c1=O ZINC001562661972 1076510267 /nfs/dbraw/zinc/51/02/67/1076510267.db2.gz UKXSUEFJMNARDR-CYBMUJFWSA-N -1 1 373.369 2.776 20 5 FFBDMM COc1ccnc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1F ZINC001586548949 1079648140 /nfs/dbraw/zinc/64/81/40/1079648140.db2.gz VCTLEFNCGCTZGN-UHFFFAOYSA-N -1 1 355.272 2.546 20 5 FFBDMM Cc1noc([C@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC001586717778 1079672995 /nfs/dbraw/zinc/67/29/95/1079672995.db2.gz DEEDZWAKSQBCRG-GFCCVEGCSA-N -1 1 354.313 2.892 20 5 FFBDMM CC(C)(C)OC1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001589193221 1080408573 /nfs/dbraw/zinc/40/85/73/1080408573.db2.gz LYPSEVCRYGCOPV-UHFFFAOYSA-N -1 1 361.406 2.708 20 5 FFBDMM CC(C)(C)OC1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001589193221 1080408577 /nfs/dbraw/zinc/40/85/77/1080408577.db2.gz LYPSEVCRYGCOPV-UHFFFAOYSA-N -1 1 361.406 2.708 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589757961 1080712911 /nfs/dbraw/zinc/71/29/11/1080712911.db2.gz OTCRHZLUTSCXCM-UHFFFAOYSA-N -1 1 373.325 2.512 20 5 FFBDMM C[C@H](CCCc1cccnc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589820611 1080772586 /nfs/dbraw/zinc/77/25/86/1080772586.db2.gz KCPIZSLGFBDGLA-GFCCVEGCSA-N -1 1 353.386 2.993 20 5 FFBDMM Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C1)CCCC2 ZINC000275437080 256006392 /nfs/dbraw/zinc/00/63/92/256006392.db2.gz DEPVPKYYKIDMFH-AWEZNQCLSA-N -1 1 370.409 2.771 20 5 FFBDMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290012938 257311229 /nfs/dbraw/zinc/31/12/29/257311229.db2.gz XPWBXYXJDXKYBB-XCBNKYQSSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290012920 257311326 /nfs/dbraw/zinc/31/13/26/257311326.db2.gz XPWBXYXJDXKYBB-OIBJUYFYSA-N -1 1 369.226 2.605 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000032632518 506271858 /nfs/dbraw/zinc/27/18/58/506271858.db2.gz ZHAGVVBMAHTLLE-UHFFFAOYSA-N -1 1 370.770 2.820 20 5 FFBDMM O=C(NCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000010894046 506757243 /nfs/dbraw/zinc/75/72/43/506757243.db2.gz HICLNMWNQKMHNN-UHFFFAOYSA-N -1 1 356.363 2.749 20 5 FFBDMM COc1ccc2cc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2c1 ZINC000011125995 506766858 /nfs/dbraw/zinc/76/68/58/506766858.db2.gz MCBWYLGDALGVSP-UHFFFAOYSA-N -1 1 353.334 2.787 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C ZINC000055615233 506798813 /nfs/dbraw/zinc/79/88/13/506798813.db2.gz DABWAPFWNADREN-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)s1 ZINC000123211899 508652851 /nfs/dbraw/zinc/65/28/51/508652851.db2.gz RAPZUDRAXBRQQA-UHFFFAOYSA-N -1 1 374.390 2.945 20 5 FFBDMM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000131022536 508877979 /nfs/dbraw/zinc/87/79/79/508877979.db2.gz TXJOESYGINCGLG-UHFFFAOYSA-N -1 1 373.793 2.778 20 5 FFBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000185749268 509336472 /nfs/dbraw/zinc/33/64/72/509336472.db2.gz ODIXVXNEUAXYRQ-VIFPVBQESA-N -1 1 351.746 2.546 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163200887 509351324 /nfs/dbraw/zinc/35/13/24/509351324.db2.gz RBFCDYLAHWVWOI-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000173351605 509547175 /nfs/dbraw/zinc/54/71/75/509547175.db2.gz FPHPETFSXOLPAX-AWEZNQCLSA-N -1 1 368.411 2.725 20 5 FFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173370016 509558180 /nfs/dbraw/zinc/55/81/80/509558180.db2.gz XNFIFWAJWVXQNR-AWEZNQCLSA-N -1 1 355.441 2.963 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(F)c1 ZINC000173673993 509714191 /nfs/dbraw/zinc/71/41/91/509714191.db2.gz OIALZFLWXGGQPL-VIFPVBQESA-N -1 1 360.388 2.541 20 5 FFBDMM Cc1csc(CCCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000170738563 509747736 /nfs/dbraw/zinc/74/77/36/509747736.db2.gz TUDAKDHFPARPFU-UHFFFAOYSA-N -1 1 373.431 2.800 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000186905848 509942380 /nfs/dbraw/zinc/94/23/80/509942380.db2.gz SILJNLBVVDSUAE-LLVKDONJSA-N -1 1 368.349 2.856 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000193749028 510047681 /nfs/dbraw/zinc/04/76/81/510047681.db2.gz ACCBLUFUZAYLFV-NSHDSACASA-N -1 1 363.757 2.642 20 5 FFBDMM O=C(NCCc1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187898371 510493685 /nfs/dbraw/zinc/49/36/85/510493685.db2.gz OWFZMAXADOVYEK-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM CCc1cc(=O)[n-]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000188112168 510599125 /nfs/dbraw/zinc/59/91/25/510599125.db2.gz ZVYLYVSSDXEPIC-UHFFFAOYSA-N -1 1 359.367 2.583 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282545136 511020731 /nfs/dbraw/zinc/02/07/31/511020731.db2.gz RTZANKCKFXJFDQ-NSHDSACASA-N -1 1 359.304 2.890 20 5 FFBDMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271652507 511276133 /nfs/dbraw/zinc/27/61/33/511276133.db2.gz IGVGHBRLHXXMIF-MFKMUULPSA-N -1 1 362.835 2.730 20 5 FFBDMM C[C@H](CO)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295090556 511278870 /nfs/dbraw/zinc/27/88/70/511278870.db2.gz FHGFMIFPQIYWPJ-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1Cl ZINC000295140653 511296095 /nfs/dbraw/zinc/29/60/95/511296095.db2.gz KWHWYTRLPDTTKM-MRVPVSSYSA-N -1 1 369.226 2.749 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000295161496 511304159 /nfs/dbraw/zinc/30/41/59/511304159.db2.gz DNWMNOSZMNIQQK-UHFFFAOYSA-N -1 1 363.317 2.762 20 5 FFBDMM Cc1nc(C2([N-]C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000272097100 511430476 /nfs/dbraw/zinc/43/04/76/511430476.db2.gz KIOBMXODERFYKI-UHFFFAOYSA-N -1 1 366.324 2.964 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000272144674 511445786 /nfs/dbraw/zinc/44/57/86/511445786.db2.gz KUMRGUIKEHVWSL-GFCCVEGCSA-N -1 1 354.384 2.552 20 5 FFBDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000320589214 511815669 /nfs/dbraw/zinc/81/56/69/511815669.db2.gz VHIQBEVHFMJSQE-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C(=O)[O-] ZINC000324853809 511841694 /nfs/dbraw/zinc/84/16/94/511841694.db2.gz YYKQZUPPROIQSN-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM CCN(Cc1ccccc1)C(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000351005475 511927948 /nfs/dbraw/zinc/92/79/48/511927948.db2.gz DCLPNIGPJOBXOY-UHFFFAOYSA-N -1 1 355.354 2.564 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000429977211 513517098 /nfs/dbraw/zinc/51/70/98/513517098.db2.gz VAIUOPAKLNYMEY-MRVPVSSYSA-N -1 1 354.762 2.962 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416254029 513676026 /nfs/dbraw/zinc/67/60/26/513676026.db2.gz FJXNEFDFZSYGJY-ZDUSSCGKSA-N -1 1 363.320 2.821 20 5 FFBDMM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444988181 514383777 /nfs/dbraw/zinc/38/37/77/514383777.db2.gz FEEISNOUDYYIDF-GOEBONIOSA-N -1 1 357.366 2.654 20 5 FFBDMM O=C(NCc1ccc(Oc2ccccc2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445184601 514437130 /nfs/dbraw/zinc/43/71/30/514437130.db2.gz FNXAKKCLOJKBPN-UHFFFAOYSA-N -1 1 366.333 2.813 20 5 FFBDMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000461211126 514541962 /nfs/dbraw/zinc/54/19/62/514541962.db2.gz SJMRTUKMYVCFBU-UHFFFAOYSA-N -1 1 355.803 2.936 20 5 FFBDMM CCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508225830 514713854 /nfs/dbraw/zinc/71/38/54/514713854.db2.gz LGGAUAOIDNIGJZ-UHFFFAOYSA-N -1 1 352.368 2.808 20 5 FFBDMM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000484735301 514773995 /nfs/dbraw/zinc/77/39/95/514773995.db2.gz IWSSSCKFGDVVTO-CYBMUJFWSA-N -1 1 369.299 2.989 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)o1 ZINC000479912391 514773854 /nfs/dbraw/zinc/77/38/54/514773854.db2.gz GMXMQYOLZPQXSO-SNVBAGLBSA-N -1 1 360.413 2.614 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000491600923 515460097 /nfs/dbraw/zinc/46/00/97/515460097.db2.gz HBQXNRIHUVFJAV-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000491601834 515460237 /nfs/dbraw/zinc/46/02/37/515460237.db2.gz OQVNSJJEEGGHBT-UHFFFAOYSA-N -1 1 364.383 2.503 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2noc(=NC[C@H](c3ccco3)N3CCCC3)[n-]2)cc1 ZINC000486433999 515480998 /nfs/dbraw/zinc/48/09/98/515480998.db2.gz NWRCJJDVEJWPFI-OAHLLOKOSA-N -1 1 369.381 2.909 20 5 FFBDMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000456928018 515522070 /nfs/dbraw/zinc/52/20/70/515522070.db2.gz UDZUUMSDLQHFMD-MQMHXKEQSA-N -1 1 357.366 2.722 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000510599896 515602002 /nfs/dbraw/zinc/60/20/02/515602002.db2.gz MLXCAGVNAAATNN-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000469157653 515697181 /nfs/dbraw/zinc/69/71/81/515697181.db2.gz UPUGMFYMWHXIRT-UHFFFAOYSA-N -1 1 368.415 2.716 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)s1 ZINC000487085078 515750715 /nfs/dbraw/zinc/75/07/15/515750715.db2.gz LALCCQYOJJLFTR-GFCCVEGCSA-N -1 1 370.477 2.965 20 5 FFBDMM CCc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000473944706 515813446 /nfs/dbraw/zinc/81/34/46/515813446.db2.gz LGKBRLVKSAKOFB-UHFFFAOYSA-N -1 1 373.594 2.970 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000479123719 516065410 /nfs/dbraw/zinc/06/54/10/516065410.db2.gz AMTMGROFDWYJNF-UHFFFAOYSA-N -1 1 352.416 2.934 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000543657926 516350049 /nfs/dbraw/zinc/35/00/49/516350049.db2.gz RKRMELUIYYYGKK-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000557985635 516535984 /nfs/dbraw/zinc/53/59/84/516535984.db2.gz MFADTJXACGISGA-LSDHHAIUSA-N -1 1 357.366 2.671 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ccn(C)c(=O)c2c1 ZINC000551118448 516569838 /nfs/dbraw/zinc/56/98/38/516569838.db2.gz JEOJNNPSLKVQSL-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000561560009 516653593 /nfs/dbraw/zinc/65/35/93/516653593.db2.gz YTSIGWYOJKJNQB-FUXBKTLASA-N -1 1 358.372 2.596 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000548193191 516817053 /nfs/dbraw/zinc/81/70/53/516817053.db2.gz IXIQDADHTDODIR-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])CO2 ZINC000532167783 516838437 /nfs/dbraw/zinc/83/84/37/516838437.db2.gz VRRJMSPVQZNHJO-CQSZACIVSA-N -1 1 362.407 2.932 20 5 FFBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000537364748 517156807 /nfs/dbraw/zinc/15/68/07/517156807.db2.gz YWADDDVXHRREPH-CYBMUJFWSA-N -1 1 374.740 2.680 20 5 FFBDMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OC ZINC000533009585 517249039 /nfs/dbraw/zinc/24/90/39/517249039.db2.gz JMRDXCYPQZWCPP-NSHDSACASA-N -1 1 350.462 2.776 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(-c2ccccn2)c1 ZINC000533038813 517263568 /nfs/dbraw/zinc/26/35/68/517263568.db2.gz ZHRVALJZMVETJQ-UHFFFAOYSA-N -1 1 370.390 2.530 20 5 FFBDMM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000563208463 517739042 /nfs/dbraw/zinc/73/90/42/517739042.db2.gz XZTXMTLFSFJWFN-LBPRGKRZSA-N -1 1 356.382 2.547 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000530431219 517770390 /nfs/dbraw/zinc/77/03/90/517770390.db2.gz YLQWBFJFUBYIGM-JSGCOSHPSA-N -1 1 365.386 2.744 20 5 FFBDMM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000546734111 517825404 /nfs/dbraw/zinc/82/54/04/517825404.db2.gz MANBVRMQAMEFGG-LBPRGKRZSA-N -1 1 367.452 2.757 20 5 FFBDMM O=C(NCc1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000522136011 517998461 /nfs/dbraw/zinc/99/84/61/517998461.db2.gz HEXVGCQCKBABDX-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM CN(C)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000543590534 518148521 /nfs/dbraw/zinc/14/85/21/518148521.db2.gz ZVUXGBRZWRNBNY-OAHLLOKOSA-N -1 1 363.801 2.987 20 5 FFBDMM COc1ccc(NC(=O)[C@@H](C)Sc2ncc(C)c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000567250864 518431009 /nfs/dbraw/zinc/43/10/09/518431009.db2.gz XICWECUKAWQYID-SECBINFHSA-N -1 1 364.383 2.527 20 5 FFBDMM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C1)CCCC2 ZINC000586809439 518649499 /nfs/dbraw/zinc/64/94/99/518649499.db2.gz LKHMGQVYNXJLEK-CYBMUJFWSA-N -1 1 370.409 2.771 20 5 FFBDMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000608810363 520135829 /nfs/dbraw/zinc/13/58/29/520135829.db2.gz IXPBDTWRQMTNDL-UHFFFAOYSA-N -1 1 366.395 2.941 20 5 FFBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600675410 520391254 /nfs/dbraw/zinc/39/12/54/520391254.db2.gz MNEOZWYOSUVUAN-QWRGUYRKSA-N -1 1 360.370 2.718 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000595417234 520456520 /nfs/dbraw/zinc/45/65/20/520456520.db2.gz HIGQJWAODHZLKX-UHFFFAOYSA-N -1 1 358.313 2.991 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000610259486 520607963 /nfs/dbraw/zinc/60/79/63/520607963.db2.gz GLLHJQVBAFYNOM-UHFFFAOYSA-N -1 1 371.415 2.590 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610638705 520774994 /nfs/dbraw/zinc/77/49/94/520774994.db2.gz BGJBFZCNXNXWSN-YUMQZZPRSA-N -1 1 373.209 2.508 20 5 FFBDMM COc1cccc([C@H](C)[NH+]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596106403 520916537 /nfs/dbraw/zinc/91/65/37/520916537.db2.gz AQNLNOZZYALSKU-ZDUSSCGKSA-N -1 1 358.398 2.587 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)nc1 ZINC000593562634 521078509 /nfs/dbraw/zinc/07/85/09/521078509.db2.gz VYOQSRDBBZJWJP-MWLCHTKSSA-N -1 1 367.349 2.637 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000619503106 521601327 /nfs/dbraw/zinc/60/13/27/521601327.db2.gz RJEPUCDWHBHBSU-UHFFFAOYSA-N -1 1 373.175 2.679 20 5 FFBDMM O=C([O-])NC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000740614392 603072481 /nfs/dbraw/zinc/07/24/81/603072481.db2.gz RQCLOXVEYDZABC-AWEZNQCLSA-N -1 1 362.411 2.854 20 5 FFBDMM Cc1nn(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830870205 604750295 /nfs/dbraw/zinc/75/02/95/604750295.db2.gz GICVGKODWSNPIY-AAEUAGOBSA-N -1 1 361.402 2.579 20 5 FFBDMM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130313888 728716818 /nfs/dbraw/zinc/71/68/18/728716818.db2.gz GHXAWBLETWKFCQ-AWEZNQCLSA-N -1 1 361.423 2.929 20 5 FFBDMM O=C(NCCc1c(Cl)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193451586 729479581 /nfs/dbraw/zinc/47/95/81/729479581.db2.gz PBJBQKJQRNYKEA-UHFFFAOYSA-N -1 1 356.165 2.975 20 5 FFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000859322768 730450175 /nfs/dbraw/zinc/45/01/75/730450175.db2.gz GRUUZKOGNQRCAH-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM CC(C)N(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000780072712 738513972 /nfs/dbraw/zinc/51/39/72/738513972.db2.gz STJPIDSAERWOLL-UHFFFAOYSA-N -1 1 350.371 2.637 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000749300749 735712118 /nfs/dbraw/zinc/71/21/18/735712118.db2.gz WZUGQMULQSLJIQ-JTQLQIEISA-N -1 1 355.803 2.725 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCNc1ccccc1 ZINC000760596614 736654016 /nfs/dbraw/zinc/65/40/16/736654016.db2.gz PXJHFCAXICJHSX-UHFFFAOYSA-N -1 1 355.803 2.639 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000768818510 737462180 /nfs/dbraw/zinc/46/21/80/737462180.db2.gz YHEQKCOZYFZKSP-QMMMGPOBSA-N -1 1 357.369 2.604 20 5 FFBDMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818607 741347630 /nfs/dbraw/zinc/34/76/30/741347630.db2.gz GNSWBRORTMNLLJ-GFCCVEGCSA-N -1 1 371.242 2.731 20 5 FFBDMM Cc1nc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)sc1C ZINC000771946437 737768447 /nfs/dbraw/zinc/76/84/47/737768447.db2.gz NBTUBTQNVNRRSZ-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000775012131 738052656 /nfs/dbraw/zinc/05/26/56/738052656.db2.gz NXWMUJPZLRJJGS-UHFFFAOYSA-N -1 1 362.304 2.745 20 5 FFBDMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421129 739561957 /nfs/dbraw/zinc/56/19/57/739561957.db2.gz HOIICPFTGDRABQ-CPCISQLKSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1Cc2ccc(Cl)cc2C1 ZINC000800158343 740493897 /nfs/dbraw/zinc/49/38/97/740493897.db2.gz PSIQQAOSSMPNPY-LBPRGKRZSA-N -1 1 370.789 2.833 20 5 FFBDMM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808344559 741216664 /nfs/dbraw/zinc/21/66/64/741216664.db2.gz SQLXPDWZIZKPIK-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM COC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809821476 741348769 /nfs/dbraw/zinc/34/87/69/741348769.db2.gz UERXVMAIHWOOIB-UHFFFAOYSA-N -1 1 357.215 2.605 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCNc2ccccc2)cc1Cl ZINC000809825642 741349474 /nfs/dbraw/zinc/34/94/74/741349474.db2.gz KSVYBZKZJZZZSX-UHFFFAOYSA-N -1 1 373.793 2.778 20 5 FFBDMM O=C([N-]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000810066670 741380618 /nfs/dbraw/zinc/38/06/18/741380618.db2.gz OHXWWLBKSCMTEM-JTQLQIEISA-N -1 1 363.311 2.624 20 5 FFBDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815041396 741889108 /nfs/dbraw/zinc/88/91/08/741889108.db2.gz BICCGOQSIUFIPR-SNVBAGLBSA-N -1 1 354.812 2.560 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000817142006 742093904 /nfs/dbraw/zinc/09/39/04/742093904.db2.gz RIPSSOWZMLHQDT-JTQLQIEISA-N -1 1 360.432 2.546 20 5 FFBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841553749 747395960 /nfs/dbraw/zinc/39/59/60/747395960.db2.gz HYWPOYZBXLOPQP-QMMMGPOBSA-N -1 1 371.242 2.853 20 5 FFBDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841567476 747405186 /nfs/dbraw/zinc/40/51/86/747405186.db2.gz SBHPAHBQOPRRTH-UHFFFAOYSA-N -1 1 350.824 2.730 20 5 FFBDMM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000848479003 748937340 /nfs/dbraw/zinc/93/73/40/748937340.db2.gz XRCWRXHHTUQWBK-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849451248 749158165 /nfs/dbraw/zinc/15/81/65/749158165.db2.gz GUJMGBMFLYJZCS-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000018707246 845034141 /nfs/dbraw/zinc/03/41/41/845034141.db2.gz SPEPFCSYLZFOFK-UHFFFAOYSA-N -1 1 361.301 2.997 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823647587 946459744 /nfs/dbraw/zinc/45/97/44/946459744.db2.gz MSUHFZDUHNZSEU-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823647587 946459757 /nfs/dbraw/zinc/45/97/57/946459757.db2.gz MSUHFZDUHNZSEU-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM CN1CCN(c2ccccc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001176676860 1013750563 /nfs/dbraw/zinc/75/05/63/1013750563.db2.gz JZDCWABOTAYBMI-UHFFFAOYSA-N -1 1 356.382 2.788 20 5 FFBDMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188011420 968476290 /nfs/dbraw/zinc/47/62/90/968476290.db2.gz WTCVFMOTWWGKID-CQSZACIVSA-N -1 1 356.382 2.566 20 5 FFBDMM CC(C)c1cc([C@H]2CCCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)[nH]n1 ZINC001591931534 976439978 /nfs/dbraw/zinc/43/99/78/976439978.db2.gz UHHGWHCGURVYRR-NSHDSACASA-N -1 1 359.386 2.919 20 5 FFBDMM CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1 ZINC001599820210 988500133 /nfs/dbraw/zinc/50/01/33/988500133.db2.gz SEQSEXVZZQAFSJ-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM C[C@H](CO[N-]C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000762899968 988743037 /nfs/dbraw/zinc/74/30/37/988743037.db2.gz PZVBPDMYJOUJFU-VXGBXAGGSA-N -1 1 367.402 2.659 20 5 FFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC001117647826 989113047 /nfs/dbraw/zinc/11/30/47/989113047.db2.gz NJNBOUCRKCLDOI-UHFFFAOYSA-N -1 1 353.253 2.882 20 5 FFBDMM CC(C)N(C)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cn1 ZINC001591560915 992760553 /nfs/dbraw/zinc/76/05/53/992760553.db2.gz RHFJGWUPSYAZRK-LJQANCHMSA-N -1 1 372.425 2.924 20 5 FFBDMM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC001594302134 999167292 /nfs/dbraw/zinc/16/72/92/999167292.db2.gz IMMTZOYMVDVBAG-UTUOFQBUSA-N -1 1 350.371 2.598 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)cc([N+](=O)[O-])c1 ZINC000736416642 999555467 /nfs/dbraw/zinc/55/54/67/999555467.db2.gz KKSVQFHLRDJZQB-UHFFFAOYSA-N -1 1 363.257 2.681 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000744767241 999872819 /nfs/dbraw/zinc/87/28/19/999872819.db2.gz PJQOITNPYKMAQX-UHFFFAOYSA-N -1 1 374.305 2.811 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nccc(Br)c2Cl)n1 ZINC001130427401 1004174759 /nfs/dbraw/zinc/17/47/59/1004174759.db2.gz KRCRQDACMRTRBK-UHFFFAOYSA-N -1 1 374.582 2.874 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CF)c2ccc(F)cc2)c(F)c1 ZINC001193926684 1004606424 /nfs/dbraw/zinc/60/64/24/1004606424.db2.gz KNZMIOUANCMQKA-ZDUSSCGKSA-N -1 1 360.313 2.862 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]c1Cl ZINC001133885812 1006021470 /nfs/dbraw/zinc/02/14/70/1006021470.db2.gz YLALFPOWMILOKP-QMMMGPOBSA-N -1 1 366.761 2.890 20 5 FFBDMM O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074099 1019544905 /nfs/dbraw/zinc/54/49/05/1019544905.db2.gz CLZBXQAHDXGMOI-INIZCTEOSA-N -1 1 374.324 2.792 20 5 FFBDMM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076137 1019625606 /nfs/dbraw/zinc/62/56/06/1019625606.db2.gz RSJYFMDRCZHCTR-NSHDSACASA-N -1 1 374.349 2.883 20 5 FFBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000778247809 1021253002 /nfs/dbraw/zinc/25/30/02/1021253002.db2.gz OTMVGVHFBVDLEG-UHFFFAOYSA-N -1 1 359.292 2.765 20 5 FFBDMM COC(=O)c1cnc([N-][C@H](c2cccnc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001156156402 1029068114 /nfs/dbraw/zinc/06/81/14/1029068114.db2.gz RTDVNGURNXOADN-LLVKDONJSA-N -1 1 356.260 2.887 20 5 FFBDMM O=[N+]([O-])c1cnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c(Cl)c1 ZINC001157156856 1029484640 /nfs/dbraw/zinc/48/46/40/1029484640.db2.gz PTLJUQICZABPIY-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM O=[N+]([O-])c1ccccc1N1CCC(OCCCC[P@@](=O)([O-])O)CC1 ZINC001225018886 1034096451 /nfs/dbraw/zinc/09/64/51/1034096451.db2.gz KVYWLBFWMWIHBM-UHFFFAOYSA-N -1 1 358.331 2.538 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])C[C@H]21 ZINC001225665712 1034358408 /nfs/dbraw/zinc/35/84/08/1034358408.db2.gz DMDVGZAXWCXJFU-IJLUTSLNSA-N -1 1 365.386 2.862 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1COCc2ccccc21 ZINC001226308976 1034623763 /nfs/dbraw/zinc/62/37/63/1034623763.db2.gz ARKGVLNROALOFT-ZDUSSCGKSA-N -1 1 360.322 2.522 20 5 FFBDMM CC1=C[C@@H](Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])CC(=O)O1 ZINC001227307145 1035501648 /nfs/dbraw/zinc/50/16/48/1035501648.db2.gz RTFZYMKJNLJXNY-SNVBAGLBSA-N -1 1 354.314 2.956 20 5 FFBDMM O=[N+]([O-])c1ccc(N2CCC(Oc3[n-]c(=S)ncc3F)CC2)cc1 ZINC001227382321 1035525859 /nfs/dbraw/zinc/52/58/59/1035525859.db2.gz CLDUWTWEDZOIFD-UHFFFAOYSA-N -1 1 350.375 2.860 20 5 FFBDMM Cc1nc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377876 1036640975 /nfs/dbraw/zinc/64/09/75/1036640975.db2.gz GGMIMGQTXBRYGL-CYBMUJFWSA-N -1 1 364.789 2.706 20 5 FFBDMM O=C(Cc1ccc(O)cc1)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001229427553 1036667539 /nfs/dbraw/zinc/66/75/39/1036667539.db2.gz TWAQRANBHRDOIR-LJQANCHMSA-N -1 1 357.362 2.957 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3CCOC[C@H]3F)c12 ZINC001234128280 1036931300 /nfs/dbraw/zinc/93/13/00/1036931300.db2.gz KZCDEHZRYDFVRL-SKDRFNHKSA-N -1 1 362.309 2.569 20 5 FFBDMM CC1(C)COC(=O)[C@H]1Oc1cc([O-])cc2oc3c(O)cccc3c(=O)c12 ZINC001234740725 1037162480 /nfs/dbraw/zinc/16/24/80/1037162480.db2.gz AQMLTHVAMOZIMC-QGZVFWFLSA-N -1 1 356.330 2.688 20 5 FFBDMM C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ncccn1 ZINC001234752727 1037168563 /nfs/dbraw/zinc/16/85/63/1037168563.db2.gz IUGGWGVQNTZTCF-VIFPVBQESA-N -1 1 366.329 2.993 20 5 FFBDMM CO[C@@H](C)CO[C@H](C)COc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875413 1037216530 /nfs/dbraw/zinc/21/65/30/1037216530.db2.gz RGIDJBCMBIMEDS-DTWKUNHWSA-N -1 1 364.192 2.882 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)n1 ZINC001231264215 1037515764 /nfs/dbraw/zinc/51/57/64/1037515764.db2.gz PFTLBRSTCGRSEP-DMDPSCGWSA-N -1 1 365.386 2.923 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)n1 ZINC001231264866 1037516918 /nfs/dbraw/zinc/51/69/18/1037516918.db2.gz VHMJBRQXBOMXNC-NSHDSACASA-N -1 1 351.359 2.558 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1Nc1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001211289219 1040062986 /nfs/dbraw/zinc/06/29/86/1040062986.db2.gz KOGFYKIPWHRXNS-UHFFFAOYSA-N -1 1 351.384 2.603 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC001213450762 1040563949 /nfs/dbraw/zinc/56/39/49/1040563949.db2.gz JKGHIULQUJLPCF-LRDDRELGSA-N -1 1 372.418 2.526 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC001309696044 1043485898 /nfs/dbraw/zinc/48/58/98/1043485898.db2.gz UBIKPSLZQATLHX-LBPRGKRZSA-N -1 1 352.334 2.756 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001323233224 1045513635 /nfs/dbraw/zinc/51/36/35/1045513635.db2.gz HFZIDFJVXRRLNF-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC001540013873 1070743825 /nfs/dbraw/zinc/74/38/25/1070743825.db2.gz LURMLUMTNQEPLP-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)[n-]c1Cl ZINC001289087825 1047574728 /nfs/dbraw/zinc/57/47/28/1047574728.db2.gz VSWAADDWYOBJPZ-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001331689387 1048061393 /nfs/dbraw/zinc/06/13/93/1048061393.db2.gz ODMKODOKQHHTEN-OAHLLOKOSA-N -1 1 372.418 2.752 20 5 FFBDMM O=C([O-])[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001331998244 1048202695 /nfs/dbraw/zinc/20/26/95/1048202695.db2.gz VHGBJFLRRVXNAQ-UONOGXRCSA-N -1 1 363.320 2.568 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC(C)(C)C)cc1F ZINC001475122263 1060955309 /nfs/dbraw/zinc/95/53/09/1060955309.db2.gz DTVPUEYJTOMIJK-UHFFFAOYSA-N -1 1 350.437 2.852 20 5 FFBDMM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001475239416 1061013227 /nfs/dbraw/zinc/01/32/27/1061013227.db2.gz PSDAZERRVCYVMF-JTQLQIEISA-N -1 1 353.425 2.751 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCCO1 ZINC001475540842 1061132980 /nfs/dbraw/zinc/13/29/80/1061132980.db2.gz XOXDQYFOCYIZNQ-UKRRQHHQSA-N -1 1 374.846 2.874 20 5 FFBDMM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc([O-])c(F)c3F)C2)nc1 ZINC001461869733 1061432966 /nfs/dbraw/zinc/43/29/66/1061432966.db2.gz KNMZYIFJDDIYPF-NSHDSACASA-N -1 1 350.325 2.660 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001464327322 1062547819 /nfs/dbraw/zinc/54/78/19/1062547819.db2.gz BLEBLXKFRBLNHH-ZDUSSCGKSA-N -1 1 362.835 2.874 20 5 FFBDMM Cc1nnc(SCCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC001546162273 1063729982 /nfs/dbraw/zinc/72/99/82/1063729982.db2.gz CIVUYVCHYMHMIR-UHFFFAOYSA-N -1 1 357.779 2.501 20 5 FFBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C)c1ccco1 ZINC001475042577 1065684158 /nfs/dbraw/zinc/68/41/58/1065684158.db2.gz DECYQIIFDTUEHU-NSHDSACASA-N -1 1 374.802 2.816 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@@]2(c3ccccc3)CCCO2)cccc1-c1nnn[n-]1 ZINC001582801739 1079108540 /nfs/dbraw/zinc/10/85/40/1079108540.db2.gz DJPUXOCJYBPWJZ-GOSISDBHSA-N -1 1 366.381 2.893 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@@]2(c3ccccc3)CCCO2)cccc1-c1nn[n-]n1 ZINC001582801739 1079108542 /nfs/dbraw/zinc/10/85/42/1079108542.db2.gz DJPUXOCJYBPWJZ-GOSISDBHSA-N -1 1 366.381 2.893 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H](C)O1 ZINC001561827343 1076429454 /nfs/dbraw/zinc/42/94/54/1076429454.db2.gz HKISZKLIVPKYLZ-BKPPORCPSA-N -1 1 369.226 2.746 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001561933967 1076449174 /nfs/dbraw/zinc/44/91/74/1076449174.db2.gz AIMVYFSFBFWRPN-OAHLLOKOSA-N -1 1 374.422 2.911 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCS1 ZINC001561986461 1076460410 /nfs/dbraw/zinc/46/04/10/1076460410.db2.gz XZNJLSVOIWZRAO-YUMQZZPRSA-N -1 1 368.839 2.950 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1OCc2ccccc21 ZINC001562020438 1076467895 /nfs/dbraw/zinc/46/78/95/1076467895.db2.gz XWJJDOUSPQOHSF-CQSZACIVSA-N -1 1 368.798 2.798 20 5 FFBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccco2)cc1 ZINC001570380503 1077202838 /nfs/dbraw/zinc/20/28/38/1077202838.db2.gz ZLLWQQWKVHBLIJ-MRXNPFEDSA-N -1 1 369.333 2.816 20 5 FFBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589729591 1080691125 /nfs/dbraw/zinc/69/11/25/1080691125.db2.gz MRVRMHMHKPIUET-UHFFFAOYSA-N -1 1 373.398 2.909 20 5 FFBDMM CC(C)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC001589769747 1080722482 /nfs/dbraw/zinc/72/24/82/1080722482.db2.gz MURMQSQCWPCLQN-UHFFFAOYSA-N -1 1 367.369 2.570 20 5 FFBDMM CC(C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC001589769747 1080722490 /nfs/dbraw/zinc/72/24/90/1080722490.db2.gz MURMQSQCWPCLQN-UHFFFAOYSA-N -1 1 367.369 2.570 20 5 FFBDMM C[C@@]1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001590153317 1081054517 /nfs/dbraw/zinc/05/45/17/1081054517.db2.gz LWANYBRSKODXTB-INIZCTEOSA-N -1 1 372.410 2.588 20 5 FFBDMM C[C@@]1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001590153317 1081054526 /nfs/dbraw/zinc/05/45/26/1081054526.db2.gz LWANYBRSKODXTB-INIZCTEOSA-N -1 1 372.410 2.588 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000038039709 211363322 /nfs/dbraw/zinc/36/33/22/211363322.db2.gz ARUDJEJOJCLIPG-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013340513 211031222 /nfs/dbraw/zinc/03/12/22/211031222.db2.gz NLSAKAYKRIXMBI-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000186831162 251270984 /nfs/dbraw/zinc/27/09/84/251270984.db2.gz VOKCGJBOUMLBLB-UHFFFAOYSA-N -1 1 367.365 2.592 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276999565 256150897 /nfs/dbraw/zinc/15/08/97/256150897.db2.gz YKJZHEFHKJRWKH-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000287053814 257069409 /nfs/dbraw/zinc/06/94/09/257069409.db2.gz SDHXIHMKKIRONF-GFCCVEGCSA-N -1 1 361.354 2.594 20 5 FFBDMM Cc1nc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[n-]c(=O)c1C ZINC000008025759 506614544 /nfs/dbraw/zinc/61/45/44/506614544.db2.gz PQRZQEXCYDWENT-UHFFFAOYSA-N -1 1 359.367 2.637 20 5 FFBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000009927286 506717607 /nfs/dbraw/zinc/71/76/07/506717607.db2.gz KRZXTBQKXYDHHA-UHFFFAOYSA-N -1 1 368.802 2.625 20 5 FFBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045318483 506948931 /nfs/dbraw/zinc/94/89/31/506948931.db2.gz XUPXYECTEWLVJM-UHFFFAOYSA-N -1 1 356.323 2.835 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1C ZINC000071092200 507693736 /nfs/dbraw/zinc/69/37/36/507693736.db2.gz PNGYZNPUPPPWEV-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc21 ZINC000088533191 508374637 /nfs/dbraw/zinc/37/46/37/508374637.db2.gz BKCIEBNWFKUBIK-UHFFFAOYSA-N -1 1 361.379 2.625 20 5 FFBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C)o1 ZINC000135404519 508599673 /nfs/dbraw/zinc/59/96/73/508599673.db2.gz YOMMYQULHSSGJA-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM COc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000153643562 508615753 /nfs/dbraw/zinc/61/57/53/508615753.db2.gz DBXQROSHOQVFOG-UHFFFAOYSA-N -1 1 350.758 2.935 20 5 FFBDMM CCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nn[n-]n1 ZINC000136685805 508709110 /nfs/dbraw/zinc/70/91/10/508709110.db2.gz JDKXZILDNLYPNF-LLVKDONJSA-N -1 1 373.398 2.503 20 5 FFBDMM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000146600947 508852928 /nfs/dbraw/zinc/85/29/28/508852928.db2.gz BULPQDHEJADVQN-UHFFFAOYSA-N -1 1 369.830 2.663 20 5 FFBDMM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000121146700 509138403 /nfs/dbraw/zinc/13/84/03/509138403.db2.gz UYKXMWACFQUQFM-NSHDSACASA-N -1 1 367.365 2.681 20 5 FFBDMM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000185860099 509390877 /nfs/dbraw/zinc/39/08/77/509390877.db2.gz PSERODCIWVOHNK-NSHDSACASA-N -1 1 362.411 2.864 20 5 FFBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])on1 ZINC000173491942 509633661 /nfs/dbraw/zinc/63/36/61/509633661.db2.gz GRYYEBCGCQNLML-UHFFFAOYSA-N -1 1 353.400 2.965 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186373754 509675239 /nfs/dbraw/zinc/67/52/39/509675239.db2.gz KVTXWXKMNKHSMD-UHFFFAOYSA-N -1 1 352.799 2.694 20 5 FFBDMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193600712 509985738 /nfs/dbraw/zinc/98/57/38/509985738.db2.gz DVFFEHXIQXHKTR-XPTSAGLGSA-N -1 1 365.773 2.855 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000294122211 510962860 /nfs/dbraw/zinc/96/28/60/510962860.db2.gz PROAEGGXHSEVLJ-CYBMUJFWSA-N -1 1 363.757 2.642 20 5 FFBDMM COc1cccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000364039202 511922474 /nfs/dbraw/zinc/92/24/74/511922474.db2.gz RFMWRLXXABPFGZ-UHFFFAOYSA-N -1 1 371.393 2.799 20 5 FFBDMM Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000447347750 513453827 /nfs/dbraw/zinc/45/38/27/513453827.db2.gz NOUJPCXUFOJQJD-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416504014 513805895 /nfs/dbraw/zinc/80/58/95/513805895.db2.gz YFUQQVADEZAYMS-UHFFFAOYSA-N -1 1 354.762 2.962 20 5 FFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)cc2[O-])cc1OC ZINC000443565042 513995987 /nfs/dbraw/zinc/99/59/87/513995987.db2.gz FBCGCHGKZAKPCQ-UHFFFAOYSA-N -1 1 362.338 2.969 20 5 FFBDMM O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000426653306 514006154 /nfs/dbraw/zinc/00/61/54/514006154.db2.gz AHXYHQYSLPTKLY-UHFFFAOYSA-N -1 1 368.752 2.804 20 5 FFBDMM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449001642 514019110 /nfs/dbraw/zinc/01/91/10/514019110.db2.gz LDMUWWBKLHCWPQ-AWEZNQCLSA-N -1 1 360.370 2.625 20 5 FFBDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000438728874 514431349 /nfs/dbraw/zinc/43/13/49/514431349.db2.gz VDCBXEPENQWRPV-UHFFFAOYSA-N -1 1 366.395 2.941 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466552832 514688023 /nfs/dbraw/zinc/68/80/23/514688023.db2.gz VKZKXPIEIIKWSY-LLVKDONJSA-N -1 1 372.761 2.799 20 5 FFBDMM CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000509384175 515150654 /nfs/dbraw/zinc/15/06/54/515150654.db2.gz GIYOSBINXIPLTJ-UHFFFAOYSA-N -1 1 350.762 2.968 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(OC(F)F)cc2F)n1 ZINC000490266921 515160755 /nfs/dbraw/zinc/16/07/55/515160755.db2.gz FIXNGICTNOJZFE-UHFFFAOYSA-N -1 1 362.239 2.943 20 5 FFBDMM COCCCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000473528072 515648536 /nfs/dbraw/zinc/64/85/36/515648536.db2.gz LZPINVWWCBIHHI-OAHLLOKOSA-N -1 1 359.382 2.983 20 5 FFBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c1F ZINC000478064381 515688444 /nfs/dbraw/zinc/68/84/44/515688444.db2.gz ILLNSYGTDPYNFA-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1F ZINC000478100541 515702184 /nfs/dbraw/zinc/70/21/84/515702184.db2.gz IVFMFDVSXBAXHS-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000561022623 516340614 /nfs/dbraw/zinc/34/06/14/516340614.db2.gz PVUDWKCHXXDAMU-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM Cc1c(F)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000548218530 516833977 /nfs/dbraw/zinc/83/39/77/516833977.db2.gz LOZFLNOHXUUPGB-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000536658236 516877383 /nfs/dbraw/zinc/87/73/83/516877383.db2.gz WOJWVTTVWFNYSI-UHFFFAOYSA-N -1 1 359.363 2.958 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000544851808 516960991 /nfs/dbraw/zinc/96/09/91/516960991.db2.gz ZUUXNZVCDBRMQT-GFCCVEGCSA-N -1 1 361.423 2.908 20 5 FFBDMM COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c([O-])c1 ZINC000545056334 517035201 /nfs/dbraw/zinc/03/52/01/517035201.db2.gz XZTUNAYQWOIWBE-UHFFFAOYSA-N -1 1 357.322 2.958 20 5 FFBDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000542000566 517330863 /nfs/dbraw/zinc/33/08/63/517330863.db2.gz QBEJQXRGQZFCLY-UHFFFAOYSA-N -1 1 352.368 2.551 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)cc1[N+](=O)[O-] ZINC000560012824 517534155 /nfs/dbraw/zinc/53/41/55/517534155.db2.gz OQMUPJUSNHWLSP-UHFFFAOYSA-N -1 1 373.390 2.556 20 5 FFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000516075900 517556442 /nfs/dbraw/zinc/55/64/42/517556442.db2.gz JBMDEYMVNATGTN-CHWSQXEVSA-N -1 1 366.414 2.935 20 5 FFBDMM O=C([O-])C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000538506051 517649141 /nfs/dbraw/zinc/64/91/41/517649141.db2.gz AHFCBPPLFCWIGD-CQSZACIVSA-N -1 1 360.370 2.625 20 5 FFBDMM Cc1ccc2c(=O)c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)c[n-]c2[nH+]1 ZINC000557008171 517802463 /nfs/dbraw/zinc/80/24/63/517802463.db2.gz DMCSRXRCWPVHDI-UHFFFAOYSA-N -1 1 366.377 2.867 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cnc2n1 ZINC000557008171 517802469 /nfs/dbraw/zinc/80/24/69/517802469.db2.gz DMCSRXRCWPVHDI-UHFFFAOYSA-N -1 1 366.377 2.867 20 5 FFBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000538855345 517811337 /nfs/dbraw/zinc/81/13/37/517811337.db2.gz DKELNGBETZWRSQ-UHFFFAOYSA-N -1 1 350.352 2.557 20 5 FFBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000588100074 518724911 /nfs/dbraw/zinc/72/49/11/518724911.db2.gz MPGJIBTWYWTGOM-UHFFFAOYSA-N -1 1 350.714 2.993 20 5 FFBDMM Cc1ccc([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000570725168 518750104 /nfs/dbraw/zinc/75/01/04/518750104.db2.gz OWYSDRBWROBVSV-AWEZNQCLSA-N -1 1 360.370 2.838 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000588906031 518867032 /nfs/dbraw/zinc/86/70/32/518867032.db2.gz DNQKULNJBMCZFY-UHFFFAOYSA-N -1 1 368.333 2.599 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000575213293 519557205 /nfs/dbraw/zinc/55/72/05/519557205.db2.gz KGQLUDACBFGLAB-CYBMUJFWSA-N -1 1 369.349 2.624 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000591328338 519592464 /nfs/dbraw/zinc/59/24/64/519592464.db2.gz GNBLNHKLHIOMNH-UHFFFAOYSA-N -1 1 362.276 2.936 20 5 FFBDMM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600314746 520201502 /nfs/dbraw/zinc/20/15/02/520201502.db2.gz XTFSJJNDOFKTDA-LBPRGKRZSA-N -1 1 351.309 2.692 20 5 FFBDMM O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000609138768 520204835 /nfs/dbraw/zinc/20/48/35/520204835.db2.gz WELLRCYJQZXYQY-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878200 520389004 /nfs/dbraw/zinc/38/90/04/520389004.db2.gz AUIFVOOZUWNFFF-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM COc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000603879262 520391048 /nfs/dbraw/zinc/39/10/48/520391048.db2.gz LRAPYGVMWJLRAQ-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000595352543 520423733 /nfs/dbraw/zinc/42/37/33/520423733.db2.gz FZOXZRRGOSMBIX-DLBZAZTESA-N -1 1 364.423 2.631 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C)cn2c1 ZINC000610032618 520513310 /nfs/dbraw/zinc/51/33/10/520513310.db2.gz OIJQCHPXUQZNIX-UHFFFAOYSA-N -1 1 360.395 2.914 20 5 FFBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1[O-] ZINC000604484994 520575398 /nfs/dbraw/zinc/57/53/98/520575398.db2.gz OERCCJLXRNMENG-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM Cc1ccccc1CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000604490777 520577868 /nfs/dbraw/zinc/57/78/68/520577868.db2.gz PWNUYZDZZRZBRW-UHFFFAOYSA-N -1 1 369.421 2.957 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000610211883 520582933 /nfs/dbraw/zinc/58/29/33/520582933.db2.gz FRRAMGBKTYOPLT-SECBINFHSA-N -1 1 373.337 2.631 20 5 FFBDMM Cc1noc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1[N+](=O)[O-] ZINC000596013285 520858456 /nfs/dbraw/zinc/85/84/56/520858456.db2.gz HWIQUNIXWMEMEA-UHFFFAOYSA-N -1 1 352.372 2.561 20 5 FFBDMM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCCC2 ZINC000593282683 520880386 /nfs/dbraw/zinc/88/03/86/520880386.db2.gz BZCCWTOCPBOYNU-UHFFFAOYSA-N -1 1 367.358 2.514 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000611103510 520984652 /nfs/dbraw/zinc/98/46/52/520984652.db2.gz USNAXQYNTVGJGD-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)CCC2CCCCC2)c([N+](=O)[O-])n1 ZINC000611107120 520987725 /nfs/dbraw/zinc/98/77/25/520987725.db2.gz CPTIYMPYJJMMIP-LBPRGKRZSA-N -1 1 358.464 2.839 20 5 FFBDMM CC(C)(C)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000611226515 521046085 /nfs/dbraw/zinc/04/60/85/521046085.db2.gz JPIXAXVOEWEUQK-UHFFFAOYSA-N -1 1 352.416 2.600 20 5 FFBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582804 521783647 /nfs/dbraw/zinc/78/36/47/521783647.db2.gz CSDXYWMATBSAMQ-UHFFFAOYSA-N -1 1 366.255 2.870 20 5 FFBDMM CCC1CCC(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])CC1 ZINC000829100860 601495689 /nfs/dbraw/zinc/49/56/89/601495689.db2.gz CLXSOHLQBQSQIV-UHFFFAOYSA-N -1 1 363.414 2.571 20 5 FFBDMM O=[N+]([O-])c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Cl ZINC000823645110 606704182 /nfs/dbraw/zinc/70/41/82/606704182.db2.gz OFRZNYUSODHHPK-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Cl ZINC000823645110 606704184 /nfs/dbraw/zinc/70/41/84/606704184.db2.gz OFRZNYUSODHHPK-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM COc1ccc(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821777985 606704954 /nfs/dbraw/zinc/70/49/54/606704954.db2.gz QXUZLIZRBCBVCW-UHFFFAOYSA-N -1 1 369.385 2.568 20 5 FFBDMM COc1ccc(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821777985 606704955 /nfs/dbraw/zinc/70/49/55/606704955.db2.gz QXUZLIZRBCBVCW-UHFFFAOYSA-N -1 1 369.385 2.568 20 5 FFBDMM Cc1ccccc1[C@@H]1C[C@H](C)N(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822351222 606712181 /nfs/dbraw/zinc/71/21/81/606712181.db2.gz LYVYQNCOTBQGLX-QWHCGFSZSA-N -1 1 365.397 2.861 20 5 FFBDMM Cc1ccccc1[C@@H]1C[C@H](C)N(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822351222 606712182 /nfs/dbraw/zinc/71/21/82/606712182.db2.gz LYVYQNCOTBQGLX-QWHCGFSZSA-N -1 1 365.397 2.861 20 5 FFBDMM CCO[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCC1 ZINC000821351582 606715588 /nfs/dbraw/zinc/71/55/88/606715588.db2.gz SHWHFUMUTVGZTE-ZDUSSCGKSA-N -1 1 361.406 2.567 20 5 FFBDMM CCO[C@@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCC1 ZINC000821351582 606715590 /nfs/dbraw/zinc/71/55/90/606715590.db2.gz SHWHFUMUTVGZTE-ZDUSSCGKSA-N -1 1 361.406 2.567 20 5 FFBDMM C[C@@H]1[C@@H](c2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820641608 606717754 /nfs/dbraw/zinc/71/77/54/606717754.db2.gz DKVQZFROJDOGHY-YPMHNXCESA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@@H]1[C@@H](c2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820641608 606717756 /nfs/dbraw/zinc/71/77/56/606717756.db2.gz DKVQZFROJDOGHY-YPMHNXCESA-N -1 1 351.370 2.552 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000823620712 607163153 /nfs/dbraw/zinc/16/31/53/607163153.db2.gz OSILTBKZLSBVFU-HNNXBMFYSA-N -1 1 374.364 2.766 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000823620712 607163154 /nfs/dbraw/zinc/16/31/54/607163154.db2.gz OSILTBKZLSBVFU-HNNXBMFYSA-N -1 1 374.364 2.766 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000157287004 728869414 /nfs/dbraw/zinc/86/94/14/728869414.db2.gz WWFFOGNIJVCGSL-APHBMKBZSA-N -1 1 362.382 2.741 20 5 FFBDMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158773612 728893841 /nfs/dbraw/zinc/89/38/41/728893841.db2.gz VFWJLNPBFYXRSC-QMMMGPOBSA-N -1 1 373.818 2.935 20 5 FFBDMM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119471319 728595091 /nfs/dbraw/zinc/59/50/91/728595091.db2.gz LXTNIHLKRDSNQW-AWEZNQCLSA-N -1 1 370.814 2.569 20 5 FFBDMM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119627438 728597456 /nfs/dbraw/zinc/59/74/56/728597456.db2.gz ZBOGVLGWNMWUMN-UHFFFAOYSA-N -1 1 356.425 2.922 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000123172218 728656031 /nfs/dbraw/zinc/65/60/31/728656031.db2.gz XQTXSNOVUVXTPM-AWEZNQCLSA-N -1 1 370.814 2.650 20 5 FFBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000125564767 728684988 /nfs/dbraw/zinc/68/49/88/728684988.db2.gz YNUWFBRFBDSVSN-UHFFFAOYSA-N -1 1 363.182 2.602 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000194335668 729507350 /nfs/dbraw/zinc/50/73/50/729507350.db2.gz QLDMYIGFHZBJRV-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CSC2)c1Cl ZINC000882405134 733222290 /nfs/dbraw/zinc/22/22/90/733222290.db2.gz MQVNRFYCRWQSMD-UHFFFAOYSA-N -1 1 357.240 2.543 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)cc([N+](=O)[O-])c1 ZINC000735828370 734961819 /nfs/dbraw/zinc/96/18/19/734961819.db2.gz QYMVGLPQQDAMRW-UHFFFAOYSA-N -1 1 365.323 2.912 20 5 FFBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000784481531 738896579 /nfs/dbraw/zinc/89/65/79/738896579.db2.gz YWKFTRXHFYDGHI-UHFFFAOYSA-N -1 1 373.188 2.608 20 5 FFBDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000748639764 735660512 /nfs/dbraw/zinc/66/05/12/735660512.db2.gz HGQZZGXGRJCTHD-UHFFFAOYSA-N -1 1 358.379 2.834 20 5 FFBDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000753952894 736109700 /nfs/dbraw/zinc/10/97/00/736109700.db2.gz CFOCRTCOAHOVGG-UHFFFAOYSA-N -1 1 372.834 2.907 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000758171738 736458666 /nfs/dbraw/zinc/45/86/66/736458666.db2.gz YPMYNNQLIXRERL-UHFFFAOYSA-N -1 1 364.305 2.812 20 5 FFBDMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000787486670 739140575 /nfs/dbraw/zinc/14/05/75/739140575.db2.gz QFUWPMDSOMPITD-UHFFFAOYSA-N -1 1 364.358 2.838 20 5 FFBDMM COC(=O)c1ccc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000797056676 740207610 /nfs/dbraw/zinc/20/76/10/740207610.db2.gz FJDCHYMPARRXAD-UHFFFAOYSA-N -1 1 350.352 2.659 20 5 FFBDMM O=C([N-]Cc1nccc(C(F)F)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000807891952 741169259 /nfs/dbraw/zinc/16/92/59/741169259.db2.gz ZNIIAMNMSHYWLQ-UHFFFAOYSA-N -1 1 358.251 2.731 20 5 FFBDMM CCCCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809811823 741346459 /nfs/dbraw/zinc/34/64/59/741346459.db2.gz RAQUCPPKELMIPM-UHFFFAOYSA-N -1 1 371.242 2.997 20 5 FFBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000813259050 741696581 /nfs/dbraw/zinc/69/65/81/741696581.db2.gz XXURTFPFLMOZHA-UHFFFAOYSA-N -1 1 353.672 2.821 20 5 FFBDMM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831116186 745484271 /nfs/dbraw/zinc/48/42/71/745484271.db2.gz YCTCSDGARCSDHT-UHFFFAOYSA-N -1 1 369.226 2.795 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000848513011 748947159 /nfs/dbraw/zinc/94/71/59/748947159.db2.gz MHQWGDREZUPCIQ-LLVKDONJSA-N -1 1 358.391 2.504 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1SCCS1 ZINC000851845902 749701515 /nfs/dbraw/zinc/70/15/15/749701515.db2.gz XSOQUVDHAXJLNY-UHFFFAOYSA-N -1 1 368.889 2.723 20 5 FFBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000067432500 845505007 /nfs/dbraw/zinc/50/50/07/845505007.db2.gz KRYWAUOGZBPHNG-UHFFFAOYSA-N -1 1 371.758 2.635 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc([N+](=O)[O-])c1F ZINC000132405224 845653163 /nfs/dbraw/zinc/65/31/63/845653163.db2.gz WOZURKBJPIKKKT-QHCPKHFHSA-N -1 1 372.399 2.581 20 5 FFBDMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000864236994 979931844 /nfs/dbraw/zinc/93/18/44/979931844.db2.gz GCWXEXHPYDSMOW-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN([C@H](C)c3ccccc3)CC2)n1 ZINC000910372051 981919393 /nfs/dbraw/zinc/91/93/93/981919393.db2.gz FVLVABQAXHFFJR-CQSZACIVSA-N -1 1 370.409 2.880 20 5 FFBDMM C[C@](NCc1cc([N+](=O)[O-])cc2c1OCOC2)(C(=O)[O-])c1ccccc1 ZINC001593293058 994681040 /nfs/dbraw/zinc/68/10/40/994681040.db2.gz SGVBREDOISOKNW-GOSISDBHSA-N -1 1 358.350 2.551 20 5 FFBDMM COC(=O)[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC001598803734 996163943 /nfs/dbraw/zinc/16/39/43/996163943.db2.gz OCHTWSLROZXQQN-XJKSGUPXSA-N -1 1 364.398 2.556 20 5 FFBDMM O=C([O-])Cc1ccccc1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000846230872 1000238122 /nfs/dbraw/zinc/23/81/22/1000238122.db2.gz UWBXRPXULIDHGW-UHFFFAOYSA-N -1 1 355.394 2.544 20 5 FFBDMM Cc1cccc2c(=O)[nH]c(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc12 ZINC000769050997 1000424451 /nfs/dbraw/zinc/42/44/51/1000424451.db2.gz ZRYCKPXVHQPCPQ-UHFFFAOYSA-N -1 1 355.306 2.615 20 5 FFBDMM Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000770721638 1000885478 /nfs/dbraw/zinc/88/54/78/1000885478.db2.gz FZPQHKHEJYQWPP-MRXNPFEDSA-N -1 1 370.409 2.745 20 5 FFBDMM Cc1ncc(CO)c(C(=O)Nc2cc3cccnc3c3ncccc23)c1[O-] ZINC001147839769 1000986320 /nfs/dbraw/zinc/98/63/20/1000986320.db2.gz DXDGMHHUTVFLIL-UHFFFAOYSA-N -1 1 360.373 2.937 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)[n-]c1Cl ZINC001134102863 1006156274 /nfs/dbraw/zinc/15/62/74/1006156274.db2.gz DERPUAHDRHWKLP-UHFFFAOYSA-N -1 1 370.724 2.848 20 5 FFBDMM O=C1CC[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CN1CC1CCCC1 ZINC000856578296 1007895547 /nfs/dbraw/zinc/89/55/47/1007895547.db2.gz VFCKOMQLTGLVOT-GFCCVEGCSA-N -1 1 359.386 2.869 20 5 FFBDMM Cc1ccc(CN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)o1 ZINC000780070163 1019485472 /nfs/dbraw/zinc/48/54/72/1019485472.db2.gz VARUSWDZNFOPID-UHFFFAOYSA-N -1 1 374.349 2.550 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4CCC[NH2+]C[C@@H]4F)cc3c([O-])c1-2 ZINC001217950225 1032915230 /nfs/dbraw/zinc/91/52/30/1032915230.db2.gz YGGWTJKGZHETQQ-SMDDNHRTSA-N -1 1 359.353 2.826 20 5 FFBDMM COc1c(O)ccc2c(=O)c3c(OC[C@H]4C[C@@H](O)C4)cc([O-])cc3oc21 ZINC001218436236 1033154812 /nfs/dbraw/zinc/15/48/12/1033154812.db2.gz MFWCCYOOWGHDAR-AOOOYVTPSA-N -1 1 358.346 2.516 20 5 FFBDMM COC(=O)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)cc([N+](=O)[O-])c1 ZINC001157805934 1029667042 /nfs/dbraw/zinc/66/70/42/1029667042.db2.gz RMOMKPCWGFHENA-UHFFFAOYSA-N -1 1 352.249 2.618 20 5 FFBDMM CC(C)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000784252385 1030534912 /nfs/dbraw/zinc/53/49/12/1030534912.db2.gz OQIJKQMQOAYKEW-UHFFFAOYSA-N -1 1 370.361 2.832 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001534728590 1069677594 /nfs/dbraw/zinc/67/75/94/1069677594.db2.gz WYRVBNQUWVRWPL-ZIAGYGMSSA-N -1 1 371.349 2.654 20 5 FFBDMM C[C@@H]1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665431 1034360378 /nfs/dbraw/zinc/36/03/78/1034360378.db2.gz ZFUGCLORXPJPGD-GHMZBOCLSA-N -1 1 353.375 2.862 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@H]3COC(=O)O3)c([N+](=O)[O-])c2)cc1 ZINC001227700512 1035684233 /nfs/dbraw/zinc/68/42/33/1035684233.db2.gz VWFMDFOCYKNBKR-ZDUSSCGKSA-N -1 1 373.317 2.754 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC3CCN(N)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227701757 1035684570 /nfs/dbraw/zinc/68/45/70/1035684570.db2.gz IBIGXNDQHVPUJV-UHFFFAOYSA-N -1 1 371.393 2.557 20 5 FFBDMM CCOC(=O)CC1CC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228862846 1036369107 /nfs/dbraw/zinc/36/91/07/1036369107.db2.gz PKVRYGSVEDCDCM-UHFFFAOYSA-N -1 1 364.276 2.825 20 5 FFBDMM Cc1nc(O[C@@H](C)c2ccc(Br)nc2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380291 1036642430 /nfs/dbraw/zinc/64/24/30/1036642430.db2.gz KJAOUSUOVSWVAG-LURJTMIESA-N -1 1 355.148 2.696 20 5 FFBDMM CCOC(=O)c1cc([O-])c(Br)c(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001234059829 1036896510 /nfs/dbraw/zinc/89/65/10/1036896510.db2.gz IBWQKTLEDOKEQC-GFCCVEGCSA-N -1 1 374.187 2.766 20 5 FFBDMM CC1(C)COC(=O)[C@H]1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745649 1037164837 /nfs/dbraw/zinc/16/48/37/1037164837.db2.gz VZOJLMNYBPNWDX-QGZVFWFLSA-N -1 1 356.330 2.688 20 5 FFBDMM C[C@H](O)CCCC(=O)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749537 1037166578 /nfs/dbraw/zinc/16/65/78/1037166578.db2.gz AKNSKKPVJNWYRV-VIFPVBQESA-N -1 1 374.345 2.520 20 5 FFBDMM CCOC(=O)[C@H](CC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749809 1037166710 /nfs/dbraw/zinc/16/67/10/1037166710.db2.gz DHCVWKRNKDZUBA-ZDUSSCGKSA-N -1 1 374.345 2.784 20 5 FFBDMM CCOC(=O)c1cnn(-c2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccn2)c1 ZINC001210394511 1039519558 /nfs/dbraw/zinc/51/95/58/1039519558.db2.gz XKNRFOBQFCZSKV-UHFFFAOYSA-N -1 1 369.337 2.801 20 5 FFBDMM O=C(NCCc1ccccc1[N+](=O)[O-])NCCc1c(F)cc([O-])cc1F ZINC001312625483 1044145707 /nfs/dbraw/zinc/14/57/07/1044145707.db2.gz NQJSAUFYPIXOHA-UHFFFAOYSA-N -1 1 365.336 2.663 20 5 FFBDMM Cc1nc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC001307190080 1049914824 /nfs/dbraw/zinc/91/48/24/1049914824.db2.gz OSPDIHZULHNXDV-UHFFFAOYSA-N -1 1 362.817 2.979 20 5 FFBDMM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306822686 1052193862 /nfs/dbraw/zinc/19/38/62/1052193862.db2.gz WVSOHDWRKABROG-CYBMUJFWSA-N -1 1 363.757 2.993 20 5 FFBDMM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC001336036957 1053723498 /nfs/dbraw/zinc/72/34/98/1053723498.db2.gz SMUXFMUUNMGAFR-VIFPVBQESA-N -1 1 356.247 2.505 20 5 FFBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC001352837642 1055847639 /nfs/dbraw/zinc/84/76/39/1055847639.db2.gz KJDHARBJRDKPPV-UHFFFAOYSA-N -1 1 356.306 2.529 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[n-]c1Cl ZINC001462921577 1061846043 /nfs/dbraw/zinc/84/60/43/1061846043.db2.gz UQJXXZNWZBANNQ-UHFFFAOYSA-N -1 1 374.687 2.679 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)cc1F ZINC001463411598 1062094225 /nfs/dbraw/zinc/09/42/25/1062094225.db2.gz LTZBLBZLZCOVDX-CYBMUJFWSA-N -1 1 364.354 2.648 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001574090581 1077895176 /nfs/dbraw/zinc/89/51/76/1077895176.db2.gz BBQAJYSGGQVXNM-MRXNPFEDSA-N -1 1 358.350 2.605 20 5 FFBDMM Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)cc1 ZINC001587796394 1079866387 /nfs/dbraw/zinc/86/63/87/1079866387.db2.gz LAGXNUHPSTXMCW-MRXNPFEDSA-N -1 1 355.394 2.613 20 5 FFBDMM CC(=O)Nc1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588879331 1080229768 /nfs/dbraw/zinc/22/97/68/1080229768.db2.gz WCRVBUXIXYPMNR-UHFFFAOYSA-N -1 1 358.289 2.665 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278881048 256357536 /nfs/dbraw/zinc/35/75/36/256357536.db2.gz GYPOJSYAVUVZBF-RXMQYKEDSA-N -1 1 362.289 2.662 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2=CCCOC2)c(Cl)cc1Cl ZINC000289761623 257297675 /nfs/dbraw/zinc/29/76/75/257297675.db2.gz GZFNVAITYDUQPN-UHFFFAOYSA-N -1 1 367.210 2.527 20 5 FFBDMM CC(=O)N(C)c1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000302171969 258092691 /nfs/dbraw/zinc/09/26/91/258092691.db2.gz MFDQCYAWXBCWIK-UHFFFAOYSA-N -1 1 369.424 2.786 20 5 FFBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000066269997 506463859 /nfs/dbraw/zinc/46/38/59/506463859.db2.gz SLNGINIVPDCXKE-UHFFFAOYSA-N -1 1 364.383 2.812 20 5 FFBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000067079727 506750532 /nfs/dbraw/zinc/75/05/32/506750532.db2.gz HSZAVRTWHSLNGV-UHFFFAOYSA-N -1 1 372.410 2.638 20 5 FFBDMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000077617053 508341410 /nfs/dbraw/zinc/34/14/10/508341410.db2.gz VECGGAALUFRCEZ-JOYOIKCWSA-N -1 1 354.359 2.929 20 5 FFBDMM Cc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000157763195 508608257 /nfs/dbraw/zinc/60/82/57/508608257.db2.gz DCDPDIDNBKFZRT-UHFFFAOYSA-N -1 1 356.382 2.721 20 5 FFBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000154296988 508754255 /nfs/dbraw/zinc/75/42/55/508754255.db2.gz KHLKTCVWQWGZRW-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000125091626 508930366 /nfs/dbraw/zinc/93/03/66/508930366.db2.gz LTSLVCIWQMKFHM-UHFFFAOYSA-N -1 1 362.473 2.922 20 5 FFBDMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125437434 508982668 /nfs/dbraw/zinc/98/26/68/508982668.db2.gz HKNLSJXKUUHKCB-NSHDSACASA-N -1 1 362.773 2.675 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)s1 ZINC000155408680 508994401 /nfs/dbraw/zinc/99/44/01/508994401.db2.gz KCOYIOBYGKFDMI-LLVKDONJSA-N -1 1 354.409 2.849 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nccs1 ZINC000186682995 509850090 /nfs/dbraw/zinc/85/00/90/509850090.db2.gz IVBRURIAJJUNRA-QMMMGPOBSA-N -1 1 361.832 2.787 20 5 FFBDMM CN(Cc1ccc(Br)s1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186780507 509896791 /nfs/dbraw/zinc/89/67/91/509896791.db2.gz VGFGPQIDXQZRIS-UHFFFAOYSA-N -1 1 372.200 2.792 20 5 FFBDMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193546720 509958905 /nfs/dbraw/zinc/95/89/05/509958905.db2.gz PAQFLBAQDAIEFG-MRXNPFEDSA-N -1 1 350.334 2.610 20 5 FFBDMM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000181265885 510328897 /nfs/dbraw/zinc/32/88/97/510328897.db2.gz KLZCDZRFXBYSOW-UHFFFAOYSA-N -1 1 352.144 2.897 20 5 FFBDMM COC(=O)c1ccc(F)c([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000269343945 510352878 /nfs/dbraw/zinc/35/28/78/510352878.db2.gz DQCLTNCJXFIJJJ-UHFFFAOYSA-N -1 1 350.306 2.619 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000188413335 510755944 /nfs/dbraw/zinc/75/59/44/510755944.db2.gz CAFARAIFZSAIGI-AWEZNQCLSA-N -1 1 363.757 2.563 20 5 FFBDMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295325014 511363200 /nfs/dbraw/zinc/36/32/00/511363200.db2.gz WTKWWZCRPMBVDP-HTQZYQBOSA-N -1 1 371.242 2.587 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000291895491 511381146 /nfs/dbraw/zinc/38/11/46/511381146.db2.gz ILKUZFPKBJMIJV-UHFFFAOYSA-N -1 1 353.400 2.549 20 5 FFBDMM CCOc1cc(-c2noc(-c3c([N+](=O)[O-])cnn3C)n2)cc(Cl)c1[O-] ZINC000350790774 511882738 /nfs/dbraw/zinc/88/27/38/511882738.db2.gz GIQSCUTXIFNGBE-UHFFFAOYSA-N -1 1 365.733 2.803 20 5 FFBDMM CC(=O)c1ccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000281864267 511993336 /nfs/dbraw/zinc/99/33/36/511993336.db2.gz NCXDMAKLNKPBEZ-UHFFFAOYSA-N -1 1 373.331 2.692 20 5 FFBDMM CC1(C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382576439 512877416 /nfs/dbraw/zinc/87/74/16/512877416.db2.gz AMAGFEKDCNGRIH-UHFFFAOYSA-N -1 1 370.409 2.789 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000435804997 513687214 /nfs/dbraw/zinc/68/72/14/513687214.db2.gz AEYYVAMFNIAGHJ-GFCCVEGCSA-N -1 1 372.834 2.894 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1C ZINC000442243302 513690478 /nfs/dbraw/zinc/69/04/78/513690478.db2.gz QHILQQKOFSRMAT-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000443060998 513859582 /nfs/dbraw/zinc/85/95/82/513859582.db2.gz HUVLDBAGLCUCTL-UHFFFAOYSA-N -1 1 350.758 2.935 20 5 FFBDMM CSCc1cc(F)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444988991 514383519 /nfs/dbraw/zinc/38/35/19/514383519.db2.gz GGGYEKIFFZQYIR-UHFFFAOYSA-N -1 1 351.359 2.628 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000438727267 514432091 /nfs/dbraw/zinc/43/20/91/514432091.db2.gz WPBLHODTVXJUTN-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000484541465 514680813 /nfs/dbraw/zinc/68/08/13/514680813.db2.gz GGZQWHMGRRQBSJ-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000480068796 514830326 /nfs/dbraw/zinc/83/03/26/514830326.db2.gz JUJUDDNFJRYIIF-CYBMUJFWSA-N -1 1 368.411 2.861 20 5 FFBDMM Cc1nc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])sc1C ZINC000490462797 515223019 /nfs/dbraw/zinc/22/30/19/515223019.db2.gz FKQKELNLQSNLTP-UHFFFAOYSA-N -1 1 355.441 2.882 20 5 FFBDMM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469104426 515673168 /nfs/dbraw/zinc/67/31/68/515673168.db2.gz YZTOZBICSPRWOQ-OAHLLOKOSA-N -1 1 361.423 2.929 20 5 FFBDMM Cc1ccc([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000469634271 515898991 /nfs/dbraw/zinc/89/89/91/515898991.db2.gz SLJOKHXYWXAXEA-INIZCTEOSA-N -1 1 359.382 2.769 20 5 FFBDMM COc1ccc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000507005553 516050699 /nfs/dbraw/zinc/05/06/99/516050699.db2.gz APANNVDNDDUKTQ-UHFFFAOYSA-N -1 1 356.331 2.557 20 5 FFBDMM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1[N+](=O)[O-] ZINC000479237217 516121582 /nfs/dbraw/zinc/12/15/82/516121582.db2.gz GQCXUCHWYIDDBB-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM CC(C)(C)c1ccc(OCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484063029 516289814 /nfs/dbraw/zinc/28/98/14/516289814.db2.gz FHNGSHLMTSGTHF-UHFFFAOYSA-N -1 1 359.382 2.802 20 5 FFBDMM O=C(NCc1ccc(OC2CCCCC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000523366401 516451609 /nfs/dbraw/zinc/45/16/09/516451609.db2.gz PASKXQNEBAISSG-UHFFFAOYSA-N -1 1 372.381 2.732 20 5 FFBDMM CC[C@@H](c1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1)c1ccccc1 ZINC000554857086 516666302 /nfs/dbraw/zinc/66/63/02/516666302.db2.gz GRWLSDHRFCSKHG-SNVBAGLBSA-N -1 1 358.383 2.964 20 5 FFBDMM O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000544320083 516700438 /nfs/dbraw/zinc/70/04/38/516700438.db2.gz KQPDINPKTHFXPE-UHFFFAOYSA-N -1 1 364.789 2.661 20 5 FFBDMM O=C([O-])CC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000540774104 516706056 /nfs/dbraw/zinc/70/60/56/516706056.db2.gz HLSTWCUYPBFSSL-UHFFFAOYSA-N -1 1 360.370 2.626 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CCC1 ZINC000532066639 516782092 /nfs/dbraw/zinc/78/20/92/516782092.db2.gz VWYRTRDBGRFPGO-UHFFFAOYSA-N -1 1 361.423 2.681 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(C)s1 ZINC000548542993 517044078 /nfs/dbraw/zinc/04/40/78/517044078.db2.gz PWIOQSYFCDAGLQ-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000559094179 517079594 /nfs/dbraw/zinc/07/95/94/517079594.db2.gz FNNBRGZFQPQXOS-ZDUSSCGKSA-N -1 1 353.382 2.723 20 5 FFBDMM Cc1nc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])nn1C ZINC000553843354 517929480 /nfs/dbraw/zinc/92/94/80/517929480.db2.gz KSTXPGXQHRDGPH-UHFFFAOYSA-N -1 1 367.365 2.863 20 5 FFBDMM COc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])c([N+](=O)[O-])cc1OC ZINC000582627995 518844972 /nfs/dbraw/zinc/84/49/72/518844972.db2.gz BVMBUEFPJVTMTP-UHFFFAOYSA-N -1 1 360.322 2.773 20 5 FFBDMM CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000566510698 519527483 /nfs/dbraw/zinc/52/74/83/519527483.db2.gz YDGOKJITNQFJHO-AAEUAGOBSA-N -1 1 362.304 2.678 20 5 FFBDMM CCC(C)(C)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000594389179 519934120 /nfs/dbraw/zinc/93/41/20/519934120.db2.gz GKISEZGJCMKPNE-UHFFFAOYSA-N -1 1 355.822 2.900 20 5 FFBDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000616438339 520015234 /nfs/dbraw/zinc/01/52/34/520015234.db2.gz YNGMGMKOVYJJPA-UHFFFAOYSA-N -1 1 372.349 2.669 20 5 FFBDMM CC(C)COc1cccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594750536 520132313 /nfs/dbraw/zinc/13/23/13/520132313.db2.gz LBTXRMPGPBZBLR-UHFFFAOYSA-N -1 1 365.411 2.503 20 5 FFBDMM CCOC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000609381963 520298133 /nfs/dbraw/zinc/29/81/33/520298133.db2.gz SLWFUSDDLVPVRE-UHFFFAOYSA-N -1 1 369.337 2.538 20 5 FFBDMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610087329 520535401 /nfs/dbraw/zinc/53/54/01/520535401.db2.gz XWJLOJIFQOAQAA-SECBINFHSA-N -1 1 365.249 2.928 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc3N2)s1 ZINC000593729930 521180249 /nfs/dbraw/zinc/18/02/49/521180249.db2.gz JYCAXQZOPKQUBQ-LBPRGKRZSA-N -1 1 367.452 2.752 20 5 FFBDMM COc1ccc(OCCN2Cc3ccccc3[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000593744619 521187704 /nfs/dbraw/zinc/18/77/04/521187704.db2.gz SAMBSJBTIZXCHE-MRXNPFEDSA-N -1 1 372.377 2.666 20 5 FFBDMM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000599396293 521197118 /nfs/dbraw/zinc/19/71/18/521197118.db2.gz UKRAGWAVKYSOLW-CQSZACIVSA-N -1 1 366.443 2.501 20 5 FFBDMM Cc1cc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593947780 521308258 /nfs/dbraw/zinc/30/82/58/521308258.db2.gz XMYGAAJQSCBLQE-RWMBFGLXSA-N -1 1 351.403 2.511 20 5 FFBDMM COc1ccc(CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000826193497 607450548 /nfs/dbraw/zinc/45/05/48/607450548.db2.gz FMILIJOZWVOIPC-UHFFFAOYSA-N -1 1 366.381 2.953 20 5 FFBDMM COc1ccc(CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000826193497 607450550 /nfs/dbraw/zinc/45/05/50/607450550.db2.gz FMILIJOZWVOIPC-UHFFFAOYSA-N -1 1 366.381 2.953 20 5 FFBDMM O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000740704215 602653445 /nfs/dbraw/zinc/65/34/45/602653445.db2.gz YFFALWNFFKPHIA-UHFFFAOYSA-N -1 1 361.332 2.686 20 5 FFBDMM O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000740704010 602653562 /nfs/dbraw/zinc/65/35/62/602653562.db2.gz SJQUSTGQOJQFTQ-UHFFFAOYSA-N -1 1 373.293 2.764 20 5 FFBDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000833420033 604864128 /nfs/dbraw/zinc/86/41/28/604864128.db2.gz NXSMEVPRLWCEFT-AWEZNQCLSA-N -1 1 373.413 2.634 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000827454530 604885515 /nfs/dbraw/zinc/88/55/15/604885515.db2.gz CCOJADKVKMPKTF-LBPRGKRZSA-N -1 1 374.397 2.804 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000833508582 605764413 /nfs/dbraw/zinc/76/44/13/605764413.db2.gz NIJZZLAHDYBAGX-NSHDSACASA-N -1 1 360.370 2.557 20 5 FFBDMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820921619 606588775 /nfs/dbraw/zinc/58/87/75/606588775.db2.gz ZWTHIZXCLLZFPU-LLVKDONJSA-N -1 1 358.383 2.718 20 5 FFBDMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820921619 606588777 /nfs/dbraw/zinc/58/87/77/606588777.db2.gz ZWTHIZXCLLZFPU-LLVKDONJSA-N -1 1 358.383 2.718 20 5 FFBDMM CC(C)Oc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820177877 606699711 /nfs/dbraw/zinc/69/97/11/606699711.db2.gz BZYNMABJIKNWKW-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM CC(C)Oc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820177877 606699713 /nfs/dbraw/zinc/69/97/13/606699713.db2.gz BZYNMABJIKNWKW-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM CCCCO[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821071301 606714848 /nfs/dbraw/zinc/71/48/48/606714848.db2.gz AKRXWXLEFCTTID-VXGBXAGGSA-N -1 1 361.406 2.566 20 5 FFBDMM CCCCO[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821071301 606714849 /nfs/dbraw/zinc/71/48/49/606714849.db2.gz AKRXWXLEFCTTID-VXGBXAGGSA-N -1 1 361.406 2.566 20 5 FFBDMM CCO[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357848 606715454 /nfs/dbraw/zinc/71/54/54/606715454.db2.gz GAIAJDSKLAUVKE-NEPJUHHUSA-N -1 1 361.406 2.566 20 5 FFBDMM CCO[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357848 606715455 /nfs/dbraw/zinc/71/54/55/606715455.db2.gz GAIAJDSKLAUVKE-NEPJUHHUSA-N -1 1 361.406 2.566 20 5 FFBDMM CSc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821977595 606720071 /nfs/dbraw/zinc/72/00/71/606720071.db2.gz IFGMYHOZFHOZNW-UHFFFAOYSA-N -1 1 357.399 2.812 20 5 FFBDMM CSc1cc(C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821977595 606720073 /nfs/dbraw/zinc/72/00/73/606720073.db2.gz IFGMYHOZFHOZNW-UHFFFAOYSA-N -1 1 357.399 2.812 20 5 FFBDMM CCC(=O)c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(F)c1 ZINC000820841828 607034835 /nfs/dbraw/zinc/03/48/35/607034835.db2.gz FZQVFHGCIKQSDC-UHFFFAOYSA-N -1 1 358.289 2.694 20 5 FFBDMM CCC(=O)c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(F)c1 ZINC000820841828 607034836 /nfs/dbraw/zinc/03/48/36/607034836.db2.gz FZQVFHGCIKQSDC-UHFFFAOYSA-N -1 1 358.289 2.694 20 5 FFBDMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000075082230 728243553 /nfs/dbraw/zinc/24/35/53/728243553.db2.gz MURMACUIBHSANW-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000116362271 728571323 /nfs/dbraw/zinc/57/13/23/728571323.db2.gz KOYFBKGMXWSRIF-PELKAZGASA-N -1 1 372.324 2.847 20 5 FFBDMM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119473035 728595051 /nfs/dbraw/zinc/59/50/51/728595051.db2.gz CGKWRODQMUKKBI-CQSZACIVSA-N -1 1 370.814 2.569 20 5 FFBDMM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000121890062 728641447 /nfs/dbraw/zinc/64/14/47/728641447.db2.gz DGYKCRBNUCJWEB-GXTWGEPZSA-N -1 1 350.371 2.877 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000175401967 729095277 /nfs/dbraw/zinc/09/52/77/729095277.db2.gz IYXFSQFPHXBEHL-UHFFFAOYSA-N -1 1 370.814 2.743 20 5 FFBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000175431065 729095905 /nfs/dbraw/zinc/09/59/05/729095905.db2.gz CGBKSUWHQPPPJE-CQSZACIVSA-N -1 1 374.434 2.998 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCSC1 ZINC000867575376 731202185 /nfs/dbraw/zinc/20/21/85/731202185.db2.gz HAKVCFNTIWDHBZ-SECBINFHSA-N -1 1 350.849 2.670 20 5 FFBDMM CNc1c(C(=O)Nc2nc(Br)ccc2[O-])cccc1[N+](=O)[O-] ZINC000783900512 738846934 /nfs/dbraw/zinc/84/69/34/738846934.db2.gz BOQPMEIPJGCCFM-UHFFFAOYSA-N -1 1 367.159 2.752 20 5 FFBDMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000749307200 735712868 /nfs/dbraw/zinc/71/28/68/735712868.db2.gz ZCVVEVUODDOEOE-SNVBAGLBSA-N -1 1 355.803 2.553 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000757942849 736437691 /nfs/dbraw/zinc/43/76/91/736437691.db2.gz HBDGHNUVBFQQSR-NSHDSACASA-N -1 1 372.761 2.799 20 5 FFBDMM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000761404855 736730900 /nfs/dbraw/zinc/73/09/00/736730900.db2.gz GUKSZIJTBMBSII-UHFFFAOYSA-N -1 1 373.148 2.626 20 5 FFBDMM CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769050331 737489785 /nfs/dbraw/zinc/48/97/85/737489785.db2.gz SXWNJCXSRPPXHT-GFCCVEGCSA-N -1 1 352.387 2.788 20 5 FFBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000773569234 737920569 /nfs/dbraw/zinc/92/05/69/737920569.db2.gz KTHZYGYSVCIMCZ-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000921856378 738057358 /nfs/dbraw/zinc/05/73/58/738057358.db2.gz RVMHZVGHCYWINS-FZMZJTMJSA-N -1 1 374.846 2.732 20 5 FFBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000777978774 738338008 /nfs/dbraw/zinc/33/80/08/738338008.db2.gz ZVBVNKTVFRCWCE-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795975184 740086455 /nfs/dbraw/zinc/08/64/55/740086455.db2.gz IHZGYKCXJQVFIR-HZGVNTEJSA-N -1 1 367.196 2.573 20 5 FFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000798223970 740313868 /nfs/dbraw/zinc/31/38/68/740313868.db2.gz BQJSGYOJKSVNBY-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328097 741212886 /nfs/dbraw/zinc/21/28/86/741212886.db2.gz KUHDTCCZCPGFEG-LLVKDONJSA-N -1 1 356.297 2.662 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccncc2)c1Cl ZINC000809385249 741304073 /nfs/dbraw/zinc/30/40/73/741304073.db2.gz VVTZXIOMPCFIFV-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM CC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809395033 741305294 /nfs/dbraw/zinc/30/52/94/741305294.db2.gz HITRONQJKVDNJM-MRVPVSSYSA-N -1 1 371.242 2.589 20 5 FFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC000809807328 741345732 /nfs/dbraw/zinc/34/57/32/741345732.db2.gz CEYDDMRTQIDMQM-UHFFFAOYSA-N -1 1 362.766 2.810 20 5 FFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000809816801 741347084 /nfs/dbraw/zinc/34/70/84/741347084.db2.gz PPYODCLAQHDUNS-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM C[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCOC1 ZINC000809829877 741350238 /nfs/dbraw/zinc/35/02/38/741350238.db2.gz NRFDZGKRJPLBSM-LBPRGKRZSA-N -1 1 369.226 2.749 20 5 FFBDMM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809835361 741351473 /nfs/dbraw/zinc/35/14/73/741351473.db2.gz HALNSSBZUHOUJA-LLVKDONJSA-N -1 1 368.814 2.727 20 5 FFBDMM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815030172 741886638 /nfs/dbraw/zinc/88/66/38/741886638.db2.gz ITVPMFZOGNQBAO-UHFFFAOYSA-N -1 1 373.793 2.823 20 5 FFBDMM CC(C)OCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829661895 745241403 /nfs/dbraw/zinc/24/14/03/745241403.db2.gz NCCOMHDNZTVUEO-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOC1 ZINC000830503839 745371684 /nfs/dbraw/zinc/37/16/84/745371684.db2.gz AJSZIHAVSKZJIZ-GFCCVEGCSA-N -1 1 369.226 2.607 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)COC1 ZINC000832489270 745706737 /nfs/dbraw/zinc/70/67/37/745706737.db2.gz ZEIFNSZEMFAXQM-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000851822209 749688923 /nfs/dbraw/zinc/68/89/23/749688923.db2.gz KDFPNINJGSQQKT-LSDHHAIUSA-N -1 1 370.452 2.693 20 5 FFBDMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000053671156 845281522 /nfs/dbraw/zinc/28/15/22/845281522.db2.gz ILPRAUIHQVRWJI-JTQLQIEISA-N -1 1 356.350 2.783 20 5 FFBDMM Cc1ccc(C[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822235086 946020775 /nfs/dbraw/zinc/02/07/75/946020775.db2.gz RHLARVHSWZSBHY-LBPRGKRZSA-N -1 1 353.386 2.830 20 5 FFBDMM Cc1ccc(C[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822235086 946020784 /nfs/dbraw/zinc/02/07/84/946020784.db2.gz RHLARVHSWZSBHY-LBPRGKRZSA-N -1 1 353.386 2.830 20 5 FFBDMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001174504549 1013242122 /nfs/dbraw/zinc/24/21/22/1013242122.db2.gz UCAKKKTZSNHPIF-UHFFFAOYSA-N -1 1 356.382 2.788 20 5 FFBDMM O=C([N-]N1CCCNC1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000783604683 974238343 /nfs/dbraw/zinc/23/83/43/974238343.db2.gz RMVZQYGASRESIH-UHFFFAOYSA-N -1 1 372.406 2.806 20 5 FFBDMM O=[N+]([O-])c1ccnc(Cl)c1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167933640 978168547 /nfs/dbraw/zinc/16/85/47/978168547.db2.gz LHUOHMKLMJMBKN-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM CCc1cc2c(COC(=O)c3ccc([N+](=O)[O-])cn3)cc(=O)oc2cc1[O-] ZINC000761975670 988010744 /nfs/dbraw/zinc/01/07/44/988010744.db2.gz JSJKKEZBEVAYBD-UHFFFAOYSA-N -1 1 370.317 2.721 20 5 FFBDMM C[C@@H](C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000762899964 988742869 /nfs/dbraw/zinc/74/28/69/988742869.db2.gz PZVBPDMYJOUJFU-NWDGAFQWSA-N -1 1 367.402 2.659 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001599622578 994104892 /nfs/dbraw/zinc/10/48/92/994104892.db2.gz UGADUYVMGKVKHA-GFCCVEGCSA-N -1 1 360.366 2.918 20 5 FFBDMM C[C@@](NCc1ccc([N+](=O)[O-])c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593297866 994706696 /nfs/dbraw/zinc/70/66/96/994706696.db2.gz BFUKZEPJPZSFTN-INIZCTEOSA-N -1 1 363.301 2.732 20 5 FFBDMM C[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC001594302131 999167381 /nfs/dbraw/zinc/16/73/81/999167381.db2.gz IMMTZOYMVDVBAG-GRYCIOLGSA-N -1 1 350.371 2.598 20 5 FFBDMM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769046472 1000412559 /nfs/dbraw/zinc/41/25/59/1000412559.db2.gz KGDUQYHKVLTBCW-SNVBAGLBSA-N -1 1 372.333 2.687 20 5 FFBDMM CN(C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000769334108 1000495294 /nfs/dbraw/zinc/49/52/94/1000495294.db2.gz MXQAMJRNHJIQPF-ZDUSSCGKSA-N -1 1 365.430 2.989 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCC2(F)F)c(F)c1 ZINC001194110896 1004650764 /nfs/dbraw/zinc/65/07/64/1004650764.db2.gz ZCKABTIBIDPVEQ-VIFPVBQESA-N -1 1 352.334 2.838 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)cc1F ZINC001195447648 1004961786 /nfs/dbraw/zinc/96/17/86/1004961786.db2.gz LBJUXNUQWMBHEZ-UHFFFAOYSA-N -1 1 357.190 2.657 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]c1Cl ZINC001133885811 1006021691 /nfs/dbraw/zinc/02/16/91/1006021691.db2.gz YLALFPOWMILOKP-MRVPVSSYSA-N -1 1 366.761 2.890 20 5 FFBDMM Nc1ccc2n(C(=O)c3[n-]nnc3C(F)(F)F)c3ccccc3cc-2c1=O ZINC001187766290 1006241647 /nfs/dbraw/zinc/24/16/47/1006241647.db2.gz OMEBVTMAVDIKQM-UHFFFAOYSA-N -1 1 373.294 2.514 20 5 FFBDMM Nc1ccc2n(C(=O)c3nn[n-]c3C(F)(F)F)c3ccccc3cc-2c1=O ZINC001187766290 1006241657 /nfs/dbraw/zinc/24/16/57/1006241657.db2.gz OMEBVTMAVDIKQM-UHFFFAOYSA-N -1 1 373.294 2.514 20 5 FFBDMM Nc1ccc2n(C(=O)c3n[n-]nc3C(F)(F)F)c3ccccc3cc-2c1=O ZINC001187766290 1006241664 /nfs/dbraw/zinc/24/16/64/1006241664.db2.gz OMEBVTMAVDIKQM-UHFFFAOYSA-N -1 1 373.294 2.514 20 5 FFBDMM COC1CCC(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC001187829020 1006285989 /nfs/dbraw/zinc/28/59/89/1006285989.db2.gz JGUDMZYBDITSAO-UHFFFAOYSA-N -1 1 360.407 2.526 20 5 FFBDMM Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)cc1 ZINC001152419472 1032164664 /nfs/dbraw/zinc/16/46/64/1032164664.db2.gz SFSMSWSRDYLIEF-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSCC(C)C)cc1F ZINC001188894183 1006788400 /nfs/dbraw/zinc/78/84/00/1006788400.db2.gz JPSOHSKXWHMQKL-UHFFFAOYSA-N -1 1 350.437 2.710 20 5 FFBDMM COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1[N-][C@H](C(=O)OC)C(F)(F)F ZINC001171016590 1009069126 /nfs/dbraw/zinc/06/91/26/1009069126.db2.gz ZSPKYUTUJOAFBP-SECBINFHSA-N -1 1 370.667 2.551 20 5 FFBDMM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001178813932 1009125084 /nfs/dbraw/zinc/12/50/84/1009125084.db2.gz GLRSBXVMXOSLGD-UHFFFAOYSA-N -1 1 370.258 2.964 20 5 FFBDMM Cc1ccc2[nH]c(SCC(=O)[N-]C(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000006619193 1013006112 /nfs/dbraw/zinc/00/61/12/1013006112.db2.gz YQORFCOECAISBK-UHFFFAOYSA-N -1 1 370.390 2.828 20 5 FFBDMM Cc1ccc2nc(SCC(=O)[N-]C(=O)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000006619193 1013006130 /nfs/dbraw/zinc/00/61/30/1013006130.db2.gz YQORFCOECAISBK-UHFFFAOYSA-N -1 1 370.390 2.828 20 5 FFBDMM O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071132 1019488494 /nfs/dbraw/zinc/48/84/94/1019488494.db2.gz CXZJIPCUPRVNHU-UHFFFAOYSA-N -1 1 357.297 2.982 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4CC[C@@]45CC[NH2+]C5)cc3c([O-])c1-2 ZINC001218115637 1033002870 /nfs/dbraw/zinc/00/28/70/1033002870.db2.gz OKLOOTOEMRANAM-PXNSSMCTSA-N -1 1 353.374 2.878 20 5 FFBDMM CCOc1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000755553420 1023609973 /nfs/dbraw/zinc/60/99/73/1023609973.db2.gz ZOKSSXUDPCTXFW-UHFFFAOYSA-N -1 1 362.294 2.964 20 5 FFBDMM COc1cccc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000193218049 1024448779 /nfs/dbraw/zinc/44/87/79/1024448779.db2.gz HHKGFBCZKJDNBX-UHFFFAOYSA-N -1 1 357.301 2.780 20 5 FFBDMM COc1cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc(Cl)c1OC ZINC001212893353 1027201096 /nfs/dbraw/zinc/20/10/96/1027201096.db2.gz ZKWJYZKINGBJPX-UHFFFAOYSA-N -1 1 351.706 2.706 20 5 FFBDMM COc1cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ccc1-n1cnc(C)c1 ZINC001212892915 1027207934 /nfs/dbraw/zinc/20/79/34/1027207934.db2.gz BVGFUXOKTXYQSC-UHFFFAOYSA-N -1 1 367.325 2.538 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001535597945 1069851110 /nfs/dbraw/zinc/85/11/10/1069851110.db2.gz WTCPCYAOACRRQD-KBPBESRZSA-N -1 1 354.366 2.711 20 5 FFBDMM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661180 1034355364 /nfs/dbraw/zinc/35/53/64/1034355364.db2.gz LTZIWKRSWNSYCJ-LLVKDONJSA-N -1 1 353.375 2.864 20 5 FFBDMM C[C@@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665432 1034359899 /nfs/dbraw/zinc/35/98/99/1034359899.db2.gz ZFUGCLORXPJPGD-MNOVXSKESA-N -1 1 353.375 2.862 20 5 FFBDMM CC[C@@H](C)OC(=O)N1CCCC[C@@H]1CCOc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141478 1035957736 /nfs/dbraw/zinc/95/77/36/1035957736.db2.gz QTSVEOPQBAFGDG-VXGBXAGGSA-N -1 1 368.390 2.649 20 5 FFBDMM O=[N+]([O-])C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC001228860184 1036367050 /nfs/dbraw/zinc/36/70/50/1036367050.db2.gz QWQGXLXLIWAMRO-VIFPVBQESA-N -1 1 374.231 2.506 20 5 FFBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CCS(=O)(=O)CC3)ccc21 ZINC001229515760 1036714847 /nfs/dbraw/zinc/71/48/47/1036714847.db2.gz FQQXTUQSRGMCJQ-UHFFFAOYSA-N -1 1 360.387 2.608 20 5 FFBDMM CCOC(=O)[C@H](CC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124761 1036927984 /nfs/dbraw/zinc/92/79/84/1036927984.db2.gz KSPOBQKTPWSXFU-LBPRGKRZSA-N -1 1 374.345 2.784 20 5 FFBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cncnc1 ZINC001234124903 1036928599 /nfs/dbraw/zinc/92/85/99/1036928599.db2.gz MPKYJMDDUMVSJG-SECBINFHSA-N -1 1 366.329 2.993 20 5 FFBDMM C[N@H+]1CCC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)CC1 ZINC001234122938 1036929517 /nfs/dbraw/zinc/92/95/17/1036929517.db2.gz CHAPHEWBGHVQPV-LBPRGKRZSA-N -1 1 371.389 2.926 20 5 FFBDMM CC[C@@H](CC(=O)OC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234750220 1037166083 /nfs/dbraw/zinc/16/60/83/1037166083.db2.gz HQJWHNQIPYWBIX-JTQLQIEISA-N -1 1 374.345 2.784 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC001231261077 1037516090 /nfs/dbraw/zinc/51/60/90/1037516090.db2.gz XXRDTBVHEFOJOH-WMLDXEAASA-N -1 1 373.409 2.672 20 5 FFBDMM CCOC(=O)[C@H](C)[C@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001231261183 1037516343 /nfs/dbraw/zinc/51/63/43/1037516343.db2.gz ZFYNWIOBGHKKPW-XCBNKYQSSA-N -1 1 352.265 2.513 20 5 FFBDMM Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])sc1C ZINC001210212870 1039429604 /nfs/dbraw/zinc/42/96/04/1039429604.db2.gz VVJQCWWGYCOTGW-UHFFFAOYSA-N -1 1 359.404 2.594 20 5 FFBDMM O=C([N-]c1ccnc(F)c1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001539698889 1070682851 /nfs/dbraw/zinc/68/28/51/1070682851.db2.gz LRGIKINOKXUJSE-UHFFFAOYSA-N -1 1 351.265 2.682 20 5 FFBDMM CCOC(=O)c1cc(C(=O)[N-]c2c(F)ccnc2F)cc([N+](=O)[O-])c1 ZINC001324731109 1046192175 /nfs/dbraw/zinc/19/21/75/1046192175.db2.gz YHOPEKXVGVIQMS-UHFFFAOYSA-N -1 1 351.265 2.697 20 5 FFBDMM Cc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC001299094882 1050589381 /nfs/dbraw/zinc/58/93/81/1050589381.db2.gz RFIGGBHYIXRTTP-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC001309276432 1052589790 /nfs/dbraw/zinc/58/97/90/1052589790.db2.gz ZMRQKMJHWRSLEE-ZIAGYGMSSA-N -1 1 374.434 2.996 20 5 FFBDMM CCCc1nnc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)s1 ZINC001353905508 1058361999 /nfs/dbraw/zinc/36/19/99/1058361999.db2.gz REIZPAAHENWOQX-UHFFFAOYSA-N -1 1 364.383 2.812 20 5 FFBDMM Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3[O-])C2)cc1 ZINC001455009362 1059669631 /nfs/dbraw/zinc/66/96/31/1059669631.db2.gz IEVFAANYEXJIMO-OAHLLOKOSA-N -1 1 355.394 2.613 20 5 FFBDMM COc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC001457669275 1060419899 /nfs/dbraw/zinc/41/98/99/1060419899.db2.gz DEPZVOCXMYDWGE-UHFFFAOYSA-N -1 1 357.366 2.724 20 5 FFBDMM O=C(CSc1cccc([N+](=O)[O-])c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001459073334 1060704159 /nfs/dbraw/zinc/70/41/59/1060704159.db2.gz FOVJMWZZNBPSSV-UHFFFAOYSA-N -1 1 361.335 2.552 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1OC(F)F ZINC001466619246 1063497764 /nfs/dbraw/zinc/49/77/64/1063497764.db2.gz LXTQYSSGZYXEIE-SSDOTTSWSA-N -1 1 371.271 2.927 20 5 FFBDMM C[S@@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001472333290 1065021123 /nfs/dbraw/zinc/02/11/23/1065021123.db2.gz GXTQXHAAJJNTLF-QHCPKHFHSA-N -1 1 355.759 2.646 20 5 FFBDMM C[S@@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001472336876 1065022441 /nfs/dbraw/zinc/02/24/41/1065022441.db2.gz BOOATFAFCPAOLC-QHCPKHFHSA-N -1 1 355.759 2.646 20 5 FFBDMM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc([O-])c(Cl)c1 ZINC001472869283 1065163393 /nfs/dbraw/zinc/16/33/93/1065163393.db2.gz DZJLIRFGZIGIHF-UHFFFAOYSA-N -1 1 356.787 2.969 20 5 FFBDMM CC[C@H](CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001576927490 1078287662 /nfs/dbraw/zinc/28/76/62/1078287662.db2.gz YFXTZIOESAKKLN-MRVPVSSYSA-N -1 1 368.419 2.616 20 5 FFBDMM CC[C@H](CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001576927490 1078287665 /nfs/dbraw/zinc/28/76/65/1078287665.db2.gz YFXTZIOESAKKLN-MRVPVSSYSA-N -1 1 368.419 2.616 20 5 FFBDMM COc1ccc(CCCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001579996393 1078729682 /nfs/dbraw/zinc/72/96/82/1078729682.db2.gz ZZKRRKOHATZRMA-UHFFFAOYSA-N -1 1 360.399 2.890 20 5 FFBDMM COc1ccc(CCCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001579996393 1078729684 /nfs/dbraw/zinc/72/96/84/1078729684.db2.gz ZZKRRKOHATZRMA-UHFFFAOYSA-N -1 1 360.399 2.890 20 5 FFBDMM COc1ccc(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC001579996109 1078729762 /nfs/dbraw/zinc/72/97/62/1078729762.db2.gz PEIARLSURCGEKD-UHFFFAOYSA-N -1 1 358.333 2.577 20 5 FFBDMM COc1ccc(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC001579996109 1078729769 /nfs/dbraw/zinc/72/97/69/1078729769.db2.gz PEIARLSURCGEKD-UHFFFAOYSA-N -1 1 358.333 2.577 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccns1 ZINC001561806412 1076426395 /nfs/dbraw/zinc/42/63/95/1076426395.db2.gz UACKVWOIRSYWIO-LURJTMIESA-N -1 1 365.795 2.883 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC001566260260 1076939783 /nfs/dbraw/zinc/93/97/83/1076939783.db2.gz ZYQNQVWOGZYMJK-KBPBESRZSA-N -1 1 361.398 2.840 20 5 FFBDMM C[C@H]1CC(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188980 1081078946 /nfs/dbraw/zinc/07/89/46/1081078946.db2.gz IRAGLSXLGHQHHX-IUCAKERBSA-N -1 1 352.420 2.842 20 5 FFBDMM C[C@H]1CC(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188980 1081078949 /nfs/dbraw/zinc/07/89/49/1081078949.db2.gz IRAGLSXLGHQHHX-IUCAKERBSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039647 211696555 /nfs/dbraw/zinc/69/65/55/211696555.db2.gz FSEKWUAIZFUOJA-UHFFFAOYSA-N -1 1 351.222 2.682 20 5 FFBDMM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102944763 250128253 /nfs/dbraw/zinc/12/82/53/250128253.db2.gz JIKWMNOYZSHSAV-UHFFFAOYSA-N -1 1 356.382 2.568 20 5 FFBDMM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274981658 255942931 /nfs/dbraw/zinc/94/29/31/255942931.db2.gz POGRFIHKTATBKI-AWEZNQCLSA-N -1 1 367.365 2.559 20 5 FFBDMM CN(C)c1cc(F)c(C(=O)[N-]c2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC000279242338 256396705 /nfs/dbraw/zinc/39/67/05/256396705.db2.gz RVPIWAAXFZESFA-UHFFFAOYSA-N -1 1 361.305 2.841 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(Cl)cc1Cl ZINC000289640770 257291481 /nfs/dbraw/zinc/29/14/81/257291481.db2.gz ZKWWWHGCXWEZRX-MRVPVSSYSA-N -1 1 369.226 2.607 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1C ZINC000290959374 257367952 /nfs/dbraw/zinc/36/79/52/257367952.db2.gz OEQUXXIKGBXZCR-UHFFFAOYSA-N -1 1 364.305 2.754 20 5 FFBDMM O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291902364 257436921 /nfs/dbraw/zinc/43/69/21/257436921.db2.gz NCZHNWDFMSRKHL-INIZCTEOSA-N -1 1 369.377 2.519 20 5 FFBDMM CO[C@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302630302 258107286 /nfs/dbraw/zinc/10/72/86/258107286.db2.gz GLUAQVQLXZFSDA-GFCCVEGCSA-N -1 1 365.411 2.842 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000032590684 506268869 /nfs/dbraw/zinc/26/88/69/506268869.db2.gz BHMSTXWYANSATP-UHFFFAOYSA-N -1 1 364.379 2.865 20 5 FFBDMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000008025751 506614515 /nfs/dbraw/zinc/61/45/15/506614515.db2.gz UTXUKPBDPHQTCL-UHFFFAOYSA-N -1 1 373.394 2.973 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000028794440 507741888 /nfs/dbraw/zinc/74/18/88/507741888.db2.gz IZFIDDRFXPYLKG-UHFFFAOYSA-N -1 1 356.743 2.778 20 5 FFBDMM CCOCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000052405553 507808163 /nfs/dbraw/zinc/80/81/63/507808163.db2.gz FZZGQWBJNMWRNM-UHFFFAOYSA-N -1 1 365.411 2.844 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000031722427 507821217 /nfs/dbraw/zinc/82/12/17/507821217.db2.gz LITQFHHPEASRJR-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC000111363801 508094158 /nfs/dbraw/zinc/09/41/58/508094158.db2.gz BKJXVVSEWDBTIN-VIFPVBQESA-N -1 1 371.440 2.662 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000075705485 508129360 /nfs/dbraw/zinc/12/93/60/508129360.db2.gz MPHNLSAVWKMKCX-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081557536 508188754 /nfs/dbraw/zinc/18/87/54/508188754.db2.gz FIDNBPBAMVWKGW-JTQLQIEISA-N -1 1 358.398 2.775 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000104760112 508344983 /nfs/dbraw/zinc/34/49/83/508344983.db2.gz UULRYTBZPPYSKQ-LLVKDONJSA-N -1 1 359.404 2.928 20 5 FFBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)s2)c1 ZINC000122810791 508590277 /nfs/dbraw/zinc/59/02/77/508590277.db2.gz UERJOQUWAWRWDF-UHFFFAOYSA-N -1 1 358.383 2.716 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000135923777 508658332 /nfs/dbraw/zinc/65/83/32/508658332.db2.gz ADORPLBCAMWLQS-UHFFFAOYSA-N -1 1 359.363 2.952 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000146720537 508853843 /nfs/dbraw/zinc/85/38/43/508853843.db2.gz ZVSSSPGTCGFPHL-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM CC[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000160004071 508924192 /nfs/dbraw/zinc/92/41/92/508924192.db2.gz AIEVIECLCAKABC-KRWDZBQOSA-N -1 1 369.421 2.867 20 5 FFBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000151480119 509025726 /nfs/dbraw/zinc/02/57/26/509025726.db2.gz PPJOLMBXYQIXHW-ZDUSSCGKSA-N -1 1 359.404 2.794 20 5 FFBDMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000121150925 509139007 /nfs/dbraw/zinc/13/90/07/509139007.db2.gz HSOOPSLYDVTUAP-ZDUSSCGKSA-N -1 1 370.409 2.651 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)ccc1[O-] ZINC000121153404 509139983 /nfs/dbraw/zinc/13/99/83/509139983.db2.gz GNRYKDPVTLYGFH-UHFFFAOYSA-N -1 1 363.273 2.515 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000186163338 509554110 /nfs/dbraw/zinc/55/41/10/509554110.db2.gz PRUARVCWYWSNGF-NSHDSACASA-N -1 1 362.835 2.876 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000165271463 509565015 /nfs/dbraw/zinc/56/50/15/509565015.db2.gz LEAYVPVXMCSRAD-UHFFFAOYSA-N -1 1 357.775 2.761 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(F)c1 ZINC000173674007 509712994 /nfs/dbraw/zinc/71/29/94/509712994.db2.gz OIALZFLWXGGQPL-SECBINFHSA-N -1 1 360.388 2.541 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000193653785 510008880 /nfs/dbraw/zinc/00/88/80/510008880.db2.gz WAPXXLKCMWOTPU-SECBINFHSA-N -1 1 361.358 2.617 20 5 FFBDMM CC(C)n1c(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000187109513 510061626 /nfs/dbraw/zinc/06/16/26/510061626.db2.gz KSLYANULNSWVDA-UHFFFAOYSA-N -1 1 369.381 2.599 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190724856 510309114 /nfs/dbraw/zinc/30/91/14/510309114.db2.gz PPQDVJYOCKUWBL-LBPRGKRZSA-N -1 1 370.333 2.675 20 5 FFBDMM COCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279532034 511117001 /nfs/dbraw/zinc/11/70/01/511117001.db2.gz UOXJSAZYBHIXGS-UHFFFAOYSA-N -1 1 357.215 2.607 20 5 FFBDMM C[C@H](CCCCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000295829187 511528599 /nfs/dbraw/zinc/52/85/99/511528599.db2.gz VLYVWNUFSNEWCK-MRVPVSSYSA-N -1 1 371.242 2.731 20 5 FFBDMM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365663799 511590209 /nfs/dbraw/zinc/59/02/09/511590209.db2.gz NKJWJXIRVOCNQN-MRXNPFEDSA-N -1 1 357.366 2.593 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000322510378 511825508 /nfs/dbraw/zinc/82/55/08/511825508.db2.gz FKSYVDOTWDPOII-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM COc1ccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000274916246 511986235 /nfs/dbraw/zinc/98/62/35/511986235.db2.gz VZMADZLFYKIWSC-CYBMUJFWSA-N -1 1 373.365 2.690 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC000434765117 513422800 /nfs/dbraw/zinc/42/28/00/513422800.db2.gz PTLGMSZREJLTMN-HNNXBMFYSA-N -1 1 367.471 2.507 20 5 FFBDMM CCc1ccc([C@H]2CNCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436733365 513961758 /nfs/dbraw/zinc/96/17/58/513961758.db2.gz WRPQFILGDNTWQW-QGZVFWFLSA-N -1 1 355.394 2.650 20 5 FFBDMM CCN1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436954347 514048197 /nfs/dbraw/zinc/04/81/97/514048197.db2.gz VURDVTLCCMFMHF-UHFFFAOYSA-N -1 1 370.409 2.695 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccncc2)n1 ZINC000437312513 514136639 /nfs/dbraw/zinc/13/66/39/514136639.db2.gz ZRNPKXLYFCITJI-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C ZINC000438247031 514337686 /nfs/dbraw/zinc/33/76/86/514337686.db2.gz NRWVPJLGCACPBO-UHFFFAOYSA-N -1 1 361.383 2.538 20 5 FFBDMM Cc1ccc(-c2nc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)co2)cc1 ZINC000444996364 514384120 /nfs/dbraw/zinc/38/41/20/514384120.db2.gz KHLUMSZVJNUTNO-UHFFFAOYSA-N -1 1 354.322 2.589 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000445183536 514437953 /nfs/dbraw/zinc/43/79/53/514437953.db2.gz DERYPSMINPYWIS-UHFFFAOYSA-N -1 1 359.357 2.929 20 5 FFBDMM CC(C)(C)c1ccccc1OCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445199341 514441384 /nfs/dbraw/zinc/44/13/84/514441384.db2.gz XWULTXJNOZPLOS-UHFFFAOYSA-N -1 1 359.382 2.802 20 5 FFBDMM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000439038890 514486058 /nfs/dbraw/zinc/48/60/58/514486058.db2.gz FOXVWSXKGXQKEN-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000471136761 514765993 /nfs/dbraw/zinc/76/59/93/514765993.db2.gz NHEYIUZNLRWLQS-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462408855 515036923 /nfs/dbraw/zinc/03/69/23/515036923.db2.gz OKMKKQACSRGNPY-NSHDSACASA-N -1 1 371.846 2.886 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000491601811 515460358 /nfs/dbraw/zinc/46/03/58/515460358.db2.gz OJVCLQZFPZESEX-QHCPKHFHSA-N -1 1 368.436 2.750 20 5 FFBDMM CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000506196366 515812371 /nfs/dbraw/zinc/81/23/71/515812371.db2.gz LWACNVTZAYVGJV-UHFFFAOYSA-N -1 1 367.159 2.896 20 5 FFBDMM CC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000488696716 516288813 /nfs/dbraw/zinc/28/88/13/516288813.db2.gz OEXRMNLDVVIWLZ-UHFFFAOYSA-N -1 1 363.233 2.968 20 5 FFBDMM CCOC(=O)c1cnc(/C=C\c2cc(O)ccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000540331065 516514057 /nfs/dbraw/zinc/51/40/57/516514057.db2.gz IZWBRQWGLWJMLL-HYXAFXHYSA-N -1 1 358.306 2.741 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1F ZINC000543961803 516515692 /nfs/dbraw/zinc/51/56/92/516515692.db2.gz FSVMWGDGNMNDQI-UHFFFAOYSA-N -1 1 370.358 2.860 20 5 FFBDMM Cc1ncc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000533165249 517320516 /nfs/dbraw/zinc/32/05/16/517320516.db2.gz NKGDRWZVOJMOQO-UHFFFAOYSA-N -1 1 365.396 2.551 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000527326710 517640711 /nfs/dbraw/zinc/64/07/11/517640711.db2.gz CZNLGXSNHSSVCL-LSDHHAIUSA-N -1 1 361.423 2.680 20 5 FFBDMM CC1(C)Cc2cccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2O1 ZINC000530540301 517839475 /nfs/dbraw/zinc/83/94/75/517839475.db2.gz HFRIRHIKTOMZNU-UHFFFAOYSA-N -1 1 364.379 2.815 20 5 FFBDMM COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)s2)cc1 ZINC000534976809 518104914 /nfs/dbraw/zinc/10/49/14/518104914.db2.gz QDZSBDKZYGUUDM-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM NC(=O)c1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000522828714 518167467 /nfs/dbraw/zinc/16/74/67/518167467.db2.gz XNUFPTQQTXYFLQ-UHFFFAOYSA-N -1 1 374.300 2.500 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1[N+](=O)[O-] ZINC000581884261 518486585 /nfs/dbraw/zinc/48/65/85/518486585.db2.gz BEWHUKMVWXUDIK-UHFFFAOYSA-N -1 1 350.396 2.759 20 5 FFBDMM CC[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000570725373 518749578 /nfs/dbraw/zinc/74/95/78/518749578.db2.gz UDRBJGMLYPGDLQ-MRXNPFEDSA-N -1 1 370.409 2.789 20 5 FFBDMM COc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000567898232 518773565 /nfs/dbraw/zinc/77/35/65/518773565.db2.gz GHQXTHQXDRZOQL-GXSJLCMTSA-N -1 1 374.340 2.747 20 5 FFBDMM CC(C)c1ccc(C(=O)N=c2nc(-c3cccc([N+](=O)[O-])c3)[nH][n-]2)nc1 ZINC000589387285 518992009 /nfs/dbraw/zinc/99/20/09/518992009.db2.gz MMRPLUIZZAPBBC-UHFFFAOYSA-N -1 1 352.354 2.573 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000565676498 519076399 /nfs/dbraw/zinc/07/63/99/519076399.db2.gz ALTWQSLLDPOAMS-SNVBAGLBSA-N -1 1 368.798 2.703 20 5 FFBDMM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594756239 520137413 /nfs/dbraw/zinc/13/74/13/520137413.db2.gz VNIRTCAPUZTQNT-LBPRGKRZSA-N -1 1 365.411 2.817 20 5 FFBDMM C[C@@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763716 520141654 /nfs/dbraw/zinc/14/16/54/520141654.db2.gz YPHMOCNIJDCHSO-MEBBXXQBSA-N -1 1 365.386 2.731 20 5 FFBDMM O=C([O-])[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1c1ccccc1 ZINC000595279048 520383666 /nfs/dbraw/zinc/38/36/66/520383666.db2.gz CWOYLCKYGVGHSJ-LSDHHAIUSA-N -1 1 366.377 2.771 20 5 FFBDMM CCCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000603941486 520411651 /nfs/dbraw/zinc/41/16/51/520411651.db2.gz DTSNFECUFIHGMQ-UHFFFAOYSA-N -1 1 350.356 2.770 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000603985299 520422644 /nfs/dbraw/zinc/42/26/44/520422644.db2.gz ALSWQTABIYBODP-UHFFFAOYSA-N -1 1 370.358 2.942 20 5 FFBDMM CC1(C)CCC[C@](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1 ZINC000600870173 520503564 /nfs/dbraw/zinc/50/35/64/520503564.db2.gz PKHGTONDBFMGJU-QGZVFWFLSA-N -1 1 360.370 2.625 20 5 FFBDMM COc1cccc([C@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000598773240 520839103 /nfs/dbraw/zinc/83/91/03/520839103.db2.gz NIWVEHURNNOSGS-GOSISDBHSA-N -1 1 357.366 2.508 20 5 FFBDMM CC(C)c1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000615301496 521359420 /nfs/dbraw/zinc/35/94/20/521359420.db2.gz CTFGYKAGXAHSFO-INIZCTEOSA-N -1 1 366.381 2.751 20 5 FFBDMM C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736661688 600522358 /nfs/dbraw/zinc/52/23/58/600522358.db2.gz GXROBFCFPCQALM-QWHCGFSZSA-N -1 1 371.393 2.649 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(C(=O)[O-])CC1 ZINC000824418787 603982672 /nfs/dbraw/zinc/98/26/72/603982672.db2.gz QTZCYYNQKSEMNX-UHFFFAOYSA-N -1 1 351.403 2.956 20 5 FFBDMM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000827456040 604600210 /nfs/dbraw/zinc/60/02/10/604600210.db2.gz RABPOKQZGZDTPK-GFCCVEGCSA-N -1 1 358.350 2.664 20 5 FFBDMM CCc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000833671264 604869855 /nfs/dbraw/zinc/86/98/55/604869855.db2.gz VOQJBENSMNKLPZ-UHFFFAOYSA-N -1 1 354.322 2.984 20 5 FFBDMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833413399 605716535 /nfs/dbraw/zinc/71/65/35/605716535.db2.gz MQZKDXSMTFDSNA-OAHLLOKOSA-N -1 1 358.350 2.882 20 5 FFBDMM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823333166 606496215 /nfs/dbraw/zinc/49/62/15/606496215.db2.gz ZCWNTZKEUUFERQ-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823333166 606496217 /nfs/dbraw/zinc/49/62/17/606496217.db2.gz ZCWNTZKEUUFERQ-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM Cc1c2ccccc2oc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822028543 606710903 /nfs/dbraw/zinc/71/09/03/606710903.db2.gz PIPMCZWKWZPHNX-UHFFFAOYSA-N -1 1 351.326 2.837 20 5 FFBDMM Cc1c2ccccc2oc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822028543 606710904 /nfs/dbraw/zinc/71/09/04/606710904.db2.gz PIPMCZWKWZPHNX-UHFFFAOYSA-N -1 1 351.326 2.837 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(C(F)(F)F)c1 ZINC000823624712 607163552 /nfs/dbraw/zinc/16/35/52/607163552.db2.gz FUCMESQFGFJKNF-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(C(F)(F)F)c1 ZINC000823624712 607163553 /nfs/dbraw/zinc/16/35/53/607163553.db2.gz FUCMESQFGFJKNF-UHFFFAOYSA-N -1 1 365.275 2.801 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620669 607166465 /nfs/dbraw/zinc/16/64/65/607166465.db2.gz ODLCYHXEPQBWIC-HTQZYQBOSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823620669 607166466 /nfs/dbraw/zinc/16/64/66/607166466.db2.gz ODLCYHXEPQBWIC-HTQZYQBOSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111358092 728536093 /nfs/dbraw/zinc/53/60/93/728536093.db2.gz SVVSSMXMMWFQLV-CHWSQXEVSA-N -1 1 350.371 2.816 20 5 FFBDMM O=[N+]([O-])c1ccc2c(c1)N(Cn1[n-]c(-c3ccccn3)nc1=S)CC2 ZINC000117319491 728577422 /nfs/dbraw/zinc/57/74/22/728577422.db2.gz JNLYLEBYWVAICS-UHFFFAOYSA-N -1 1 354.395 2.931 20 5 FFBDMM CC(C)CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000171085860 728996910 /nfs/dbraw/zinc/99/69/10/728996910.db2.gz OKMNXUOWSQHAPI-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000194441814 729510517 /nfs/dbraw/zinc/51/05/17/729510517.db2.gz AYNCIUDKNGDUKR-LLVKDONJSA-N -1 1 352.799 2.866 20 5 FFBDMM C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000863738404 730805647 /nfs/dbraw/zinc/80/56/47/730805647.db2.gz AOSHDIBDTIWICD-ZJUUUORDSA-N -1 1 357.204 2.900 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)cc1F ZINC000866983834 731128215 /nfs/dbraw/zinc/12/82/15/731128215.db2.gz PEDBGDCETVGIPW-GFCCVEGCSA-N -1 1 372.418 2.812 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 ZINC000780074573 738514019 /nfs/dbraw/zinc/51/40/19/738514019.db2.gz IZHUKWZPJDNEMN-LLVKDONJSA-N -1 1 350.371 2.637 20 5 FFBDMM COCC(C)(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872546951 731789377 /nfs/dbraw/zinc/78/93/77/731789377.db2.gz JGXDIMQEPNCEEQ-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000784359433 738883225 /nfs/dbraw/zinc/88/32/25/738883225.db2.gz ROKCZEWMQXEYIF-JTQLQIEISA-N -1 1 350.849 2.812 20 5 FFBDMM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000742327834 735228272 /nfs/dbraw/zinc/22/82/72/735228272.db2.gz HHXAPFGDXFBGSS-VHSXEESVSA-N -1 1 350.849 2.811 20 5 FFBDMM CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000757730075 736423120 /nfs/dbraw/zinc/42/31/20/736423120.db2.gz XDSKWCJIQLAZCX-LURJTMIESA-N -1 1 355.185 2.573 20 5 FFBDMM CCc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000768879511 737470921 /nfs/dbraw/zinc/47/09/21/737470921.db2.gz DFBXNSFSMNWQJG-UHFFFAOYSA-N -1 1 356.381 2.718 20 5 FFBDMM O=C([N-]c1nc(C2CC2)no1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000771015877 737684457 /nfs/dbraw/zinc/68/44/57/737684457.db2.gz KYERFXYRWBMXLI-UHFFFAOYSA-N -1 1 353.132 2.870 20 5 FFBDMM CCOC(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000789931670 739397958 /nfs/dbraw/zinc/39/79/58/739397958.db2.gz HOUHMKRMRHEYRJ-UHFFFAOYSA-N -1 1 365.729 2.778 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795381969 740014253 /nfs/dbraw/zinc/01/42/53/740014253.db2.gz RXZFRWWSWIBNTB-JTQLQIEISA-N -1 1 354.359 2.896 20 5 FFBDMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795761965 740061476 /nfs/dbraw/zinc/06/14/76/740061476.db2.gz WYGZAYSTSKLLRT-SSDOTTSWSA-N -1 1 369.212 2.963 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(Cl)cc1Cl ZINC000809810071 741346130 /nfs/dbraw/zinc/34/61/30/741346130.db2.gz JLDMZWZRODZRAK-QMMMGPOBSA-N -1 1 369.226 2.749 20 5 FFBDMM CSCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016492 741882680 /nfs/dbraw/zinc/88/26/80/741882680.db2.gz ITNRRFHVMJEOFC-UHFFFAOYSA-N -1 1 356.828 2.809 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1Cl ZINC000820075239 742460828 /nfs/dbraw/zinc/46/08/28/742460828.db2.gz XZPOWTKSAPNJIJ-UHFFFAOYSA-N -1 1 366.761 2.665 20 5 FFBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828381193 745061242 /nfs/dbraw/zinc/06/12/42/745061242.db2.gz LYJHZBIWQMLGPY-MUWHJKNJSA-N -1 1 354.812 2.560 20 5 FFBDMM CC[C@H](O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830671601 745402341 /nfs/dbraw/zinc/40/23/41/745402341.db2.gz FWIAOOCLGNRCIK-QMMMGPOBSA-N -1 1 371.242 2.731 20 5 FFBDMM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832511010 745710597 /nfs/dbraw/zinc/71/05/97/745710597.db2.gz LGEMDIWXPGOUPQ-SECBINFHSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000841535925 747388603 /nfs/dbraw/zinc/38/86/03/747388603.db2.gz XAEUZXLMFOXRKX-JGVFFNPUSA-N -1 1 369.226 2.747 20 5 FFBDMM COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])[n-]1 ZINC000845877095 748342602 /nfs/dbraw/zinc/34/26/02/748342602.db2.gz DRZQGTXCEJXPNG-OTYXRUKQSA-N -1 1 350.302 2.504 20 5 FFBDMM COCCN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000846271246 748445637 /nfs/dbraw/zinc/44/56/37/748445637.db2.gz CMBLRPNVXNIANB-UHFFFAOYSA-N -1 1 350.293 2.537 20 5 FFBDMM COCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000849415041 749141959 /nfs/dbraw/zinc/14/19/59/749141959.db2.gz GNIYLJSYBLAJQY-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1F ZINC000047671248 845150146 /nfs/dbraw/zinc/15/01/46/845150146.db2.gz TZGIRKPVRXXDBU-VIFPVBQESA-N -1 1 372.349 2.921 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSC(F)(F)F)c(Cl)c1 ZINC000056073660 845348467 /nfs/dbraw/zinc/34/84/67/845348467.db2.gz CZKWOCOJPWNYIU-UHFFFAOYSA-N -1 1 364.754 2.780 20 5 FFBDMM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001211854773 965583274 /nfs/dbraw/zinc/58/32/74/965583274.db2.gz QHKJUFDZOJVLNN-UHFFFAOYSA-N -1 1 366.798 2.815 20 5 FFBDMM O=C([O-])c1cc(Nc2ccc(CCN3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC001176679428 1013751306 /nfs/dbraw/zinc/75/13/06/1013751306.db2.gz JUSVCDIUGIVYLB-UHFFFAOYSA-N -1 1 371.393 2.911 20 5 FFBDMM CC(C)n1cnnc1[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001592148477 977011072 /nfs/dbraw/zinc/01/10/72/977011072.db2.gz LZQBPNOSYIXYEO-AWEZNQCLSA-N -1 1 373.413 2.845 20 5 FFBDMM CC[C@H](c1ccccc1)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001595364713 980796800 /nfs/dbraw/zinc/79/68/00/980796800.db2.gz WLLIIOIHNHDKMM-MRXNPFEDSA-N -1 1 370.409 2.961 20 5 FFBDMM CCc1cc2c(COC(=O)c3cc([N+](=O)[O-])cn3C)cc(=O)oc2cc1[O-] ZINC000761020646 984658607 /nfs/dbraw/zinc/65/86/07/984658607.db2.gz FDYKGCYCZTZPBZ-UHFFFAOYSA-N -1 1 372.333 2.665 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC001133686045 995656066 /nfs/dbraw/zinc/65/60/66/995656066.db2.gz PHEXJQBLXOOVIP-UHFFFAOYSA-N -1 1 365.729 2.818 20 5 FFBDMM Cc1ccc(NCCCNC(=O)c2cc(C)cc(C=O)c2[O-])c([N+](=O)[O-])c1 ZINC001136872442 996932545 /nfs/dbraw/zinc/93/25/45/996932545.db2.gz PEWQJRKOPWMBNS-UHFFFAOYSA-N -1 1 371.393 2.962 20 5 FFBDMM O=C(c1ccc2n[n-]c(=S)n2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000774432411 1001907823 /nfs/dbraw/zinc/90/78/23/1001907823.db2.gz CLXUCKSRLRMPJG-UHFFFAOYSA-N -1 1 369.406 2.731 20 5 FFBDMM CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001183078964 1002139538 /nfs/dbraw/zinc/13/95/38/1002139538.db2.gz UYVXSSGGSOTZLD-UHFFFAOYSA-N -1 1 373.365 2.581 20 5 FFBDMM O=c1nc2nc[nH]c2c(Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)[n-]1 ZINC001170234688 1003061481 /nfs/dbraw/zinc/06/14/81/1003061481.db2.gz VZSPZYAYRCVJAH-UHFFFAOYSA-N -1 1 356.220 2.609 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001195472103 1004971253 /nfs/dbraw/zinc/97/12/53/1004971253.db2.gz JGLCRGINBIIORU-SNVBAGLBSA-N -1 1 356.350 2.955 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)cc1F ZINC001188603071 1006623295 /nfs/dbraw/zinc/62/32/95/1006623295.db2.gz XQMKQLNRBDKQGG-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM COC(=O)c1ccc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000796347820 1012241228 /nfs/dbraw/zinc/24/12/28/1012241228.db2.gz XBAPGDMEBUFQSZ-UHFFFAOYSA-N -1 1 371.305 2.722 20 5 FFBDMM CC(C)CO[C@H](C)c1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780067493 1019384357 /nfs/dbraw/zinc/38/43/57/1019384357.db2.gz GRHPQVVFURYGEO-SNVBAGLBSA-N -1 1 365.342 2.774 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000780076864 1019632892 /nfs/dbraw/zinc/63/28/92/1019632892.db2.gz XJTYPOLYFFSHQG-UHFFFAOYSA-N -1 1 370.361 2.648 20 5 FFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000802906086 1020490348 /nfs/dbraw/zinc/49/03/48/1020490348.db2.gz JRZYIVVFTSFOIW-UHFFFAOYSA-N -1 1 356.342 2.651 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225661765 1034355636 /nfs/dbraw/zinc/35/56/36/1034355636.db2.gz OYLGLMHKFTYPRX-PXAZEXFGSA-N -1 1 365.386 2.864 20 5 FFBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225663849 1034357788 /nfs/dbraw/zinc/35/77/88/1034357788.db2.gz HSYVTFIXQGHQAF-ZYHUDNBSSA-N -1 1 353.375 2.720 20 5 FFBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226484255 1034708690 /nfs/dbraw/zinc/70/86/90/1034708690.db2.gz BTQSSQJZOVQXDE-SNVBAGLBSA-N -1 1 359.338 2.688 20 5 FFBDMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001227173312 1034960795 /nfs/dbraw/zinc/96/07/95/1034960795.db2.gz WWTBSYXCDRFNFP-AWEZNQCLSA-N -1 1 372.377 2.787 20 5 FFBDMM O=c1[n-]cnc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001228140082 1035957428 /nfs/dbraw/zinc/95/74/28/1035957428.db2.gz FPYUXCDFYWOCFK-VIFPVBQESA-N -1 1 360.204 2.681 20 5 FFBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cncnc1 ZINC001234124904 1036927478 /nfs/dbraw/zinc/92/74/78/1036927478.db2.gz MPKYJMDDUMVSJG-VIFPVBQESA-N -1 1 366.329 2.993 20 5 FFBDMM C=CC(=O)OC[C@@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744387 1037161283 /nfs/dbraw/zinc/16/12/83/1037161283.db2.gz LPDMIZYOCQAHIZ-SNVBAGLBSA-N -1 1 356.330 2.854 20 5 FFBDMM O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H](C[N+](=O)[O-])C3CC3)c12 ZINC001234741445 1037161711 /nfs/dbraw/zinc/16/17/11/1037161711.db2.gz IHXSUTRCGHSNHS-OAHLLOKOSA-N -1 1 357.318 2.792 20 5 FFBDMM CC(=O)N1CCC[C@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234743753 1037162385 /nfs/dbraw/zinc/16/23/85/1037162385.db2.gz GKGJNEOVTWGGRZ-AWEZNQCLSA-N -1 1 369.373 2.747 20 5 FFBDMM C[C@@H](O)CCCC(=O)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749535 1037166314 /nfs/dbraw/zinc/16/63/14/1037166314.db2.gz AKNSKKPVJNWYRV-SECBINFHSA-N -1 1 374.345 2.520 20 5 FFBDMM COc1cc([O-])cc2oc3cc(O)c(OCC(=O)OC(C)C)cc3c(=O)c12 ZINC001234798681 1037183309 /nfs/dbraw/zinc/18/33/09/1037183309.db2.gz CYPSATDQVUPUII-UHFFFAOYSA-N -1 1 374.345 2.696 20 5 FFBDMM CCOC(=O)[C@H]1C[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001231263997 1037515962 /nfs/dbraw/zinc/51/59/62/1037515962.db2.gz ODUNZXJISAVELN-HUUCEWRRSA-N -1 1 374.349 2.838 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)n1 ZINC001231264588 1037516318 /nfs/dbraw/zinc/51/63/18/1037516318.db2.gz SCTSRBRNIOHKKG-NSHDSACASA-N -1 1 360.326 2.570 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc(F)cc2F)cc1F ZINC001209595432 1039033272 /nfs/dbraw/zinc/03/32/72/1039033272.db2.gz XUGVLBGFCMJZHN-UHFFFAOYSA-N -1 1 374.340 2.842 20 5 FFBDMM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2ccc(F)nc2F)cc1 ZINC001210402046 1039525792 /nfs/dbraw/zinc/52/57/92/1039525792.db2.gz XKDDDDGQZYVPLV-UHFFFAOYSA-N -1 1 371.365 2.569 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C/C=C\c2cccnc2)cc1Cl ZINC001309666700 1043475092 /nfs/dbraw/zinc/47/50/92/1043475092.db2.gz UCMPABQHCGVESZ-RQOWECAXSA-N -1 1 371.777 2.774 20 5 FFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001318713650 1044829921 /nfs/dbraw/zinc/82/99/21/1044829921.db2.gz BGLIYMMIKDSJPP-HZSPNIEDSA-N -1 1 355.460 2.977 20 5 FFBDMM O=C(N1CCC[C@@H](c2n[n-]c(=O)o2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001296864132 1050101089 /nfs/dbraw/zinc/10/10/89/1050101089.db2.gz APZVLIZFELMDII-GFCCVEGCSA-N -1 1 372.381 2.511 20 5 FFBDMM COc1cc(OCC(=O)NCc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC001303296194 1051324060 /nfs/dbraw/zinc/32/40/60/1051324060.db2.gz CHHLCVABQKGNBA-UHFFFAOYSA-N -1 1 366.757 2.658 20 5 FFBDMM COC(=O)CCc1ccc([O-])c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC001303570485 1051391613 /nfs/dbraw/zinc/39/16/13/1051391613.db2.gz QGSRXNCCJLHINT-UHFFFAOYSA-N -1 1 362.313 2.797 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])on1 ZINC001460272669 1060937319 /nfs/dbraw/zinc/93/73/19/1060937319.db2.gz BUCHXPAIUQVJJW-UHFFFAOYSA-N -1 1 360.109 2.929 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC001475330474 1061049854 /nfs/dbraw/zinc/04/98/54/1061049854.db2.gz HWUJXXAUHHFDRO-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(C)C ZINC001475403899 1061076242 /nfs/dbraw/zinc/07/62/42/1061076242.db2.gz MAIKEEMSLVGCTN-SECBINFHSA-N -1 1 368.814 2.727 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC001475540843 1061133315 /nfs/dbraw/zinc/13/33/15/1061133315.db2.gz XOXDQYFOCYIZNQ-ZFWWWQNUSA-N -1 1 374.846 2.874 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCCS1 ZINC001475541779 1061133444 /nfs/dbraw/zinc/13/34/44/1061133444.db2.gz RMHHAAODCMFNBC-QMMMGPOBSA-N -1 1 368.839 2.951 20 5 FFBDMM COc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001462766827 1061767999 /nfs/dbraw/zinc/76/79/99/1061767999.db2.gz JTDLINRABJCJKM-UHFFFAOYSA-N -1 1 368.386 2.572 20 5 FFBDMM CN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nn[n-]n1 ZINC001528750031 1062032942 /nfs/dbraw/zinc/03/29/42/1062032942.db2.gz WJORPQDNXOYYLP-UHFFFAOYSA-N -1 1 374.744 2.830 20 5 FFBDMM O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ncccc1[O-] ZINC001463728873 1062229906 /nfs/dbraw/zinc/22/99/06/1062229906.db2.gz KMHOKHGQSMIGTD-UHFFFAOYSA-N -1 1 370.287 2.556 20 5 FFBDMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001463969819 1062355695 /nfs/dbraw/zinc/35/56/95/1062355695.db2.gz KTCFCZKOSVVVDY-LLVKDONJSA-N -1 1 362.423 2.772 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(OC)cc2F)cc([N+](=O)[O-])c1 ZINC001532081723 1062972596 /nfs/dbraw/zinc/97/25/96/1062972596.db2.gz LYBWMTCCHBTSDR-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CC)(CC)c1nn[n-]n1 ZINC001467794253 1063854714 /nfs/dbraw/zinc/85/47/14/1063854714.db2.gz RQRCMVWXUKZGMO-CYBMUJFWSA-N -1 1 360.418 2.508 20 5 FFBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001575434559 1078140569 /nfs/dbraw/zinc/14/05/69/1078140569.db2.gz BQQWRVXRLHGQEY-AFNXNYLOSA-N -1 1 372.410 2.685 20 5 FFBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001575434559 1078140571 /nfs/dbraw/zinc/14/05/71/1078140571.db2.gz BQQWRVXRLHGQEY-AFNXNYLOSA-N -1 1 372.410 2.685 20 5 FFBDMM O=C(NCc1cccc(OC(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001472375215 1065036446 /nfs/dbraw/zinc/03/64/46/1065036446.db2.gz VXTRTKVPJUDWHS-UHFFFAOYSA-N -1 1 357.244 2.524 20 5 FFBDMM COc1ccc(CN(C)c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC001580000783 1078729711 /nfs/dbraw/zinc/72/97/11/1078729711.db2.gz CZFXELFFOFIXRU-UHFFFAOYSA-N -1 1 358.333 2.559 20 5 FFBDMM COc1ccc(CN(C)c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC001580000783 1078729715 /nfs/dbraw/zinc/72/97/15/1078729715.db2.gz CZFXELFFOFIXRU-UHFFFAOYSA-N -1 1 358.333 2.559 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC001582801598 1079109090 /nfs/dbraw/zinc/10/90/90/1079109090.db2.gz AZZPRUJUIYTBMC-GFCCVEGCSA-N -1 1 350.382 2.992 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC001582801598 1079109096 /nfs/dbraw/zinc/10/90/96/1079109096.db2.gz AZZPRUJUIYTBMC-GFCCVEGCSA-N -1 1 350.382 2.992 20 5 FFBDMM C[C@@H]1C[C@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590214182 1081096965 /nfs/dbraw/zinc/09/69/65/1081096965.db2.gz JZTWHNVKIDMLDK-BDJLRTHQSA-N -1 1 351.370 2.757 20 5 FFBDMM C[C@@H]1C[C@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590214182 1081096969 /nfs/dbraw/zinc/09/69/69/1081096969.db2.gz JZTWHNVKIDMLDK-BDJLRTHQSA-N -1 1 351.370 2.757 20 5 FFBDMM COc1cc(C)c([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000277701726 256228751 /nfs/dbraw/zinc/22/87/51/256228751.db2.gz HTTKVLWPXRBHRM-JTQLQIEISA-N -1 1 361.354 2.512 20 5 FFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000285785037 257004880 /nfs/dbraw/zinc/00/48/80/257004880.db2.gz OKHJCKBNVFHOIR-UHFFFAOYSA-N -1 1 370.369 2.825 20 5 FFBDMM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000778655296 738401985 /nfs/dbraw/zinc/40/19/85/738401985.db2.gz SGJWNGBLAPDDLT-UHFFFAOYSA-N -1 1 355.803 2.684 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000031722492 507821350 /nfs/dbraw/zinc/82/13/50/507821350.db2.gz OXEOANXPZSRNCR-UHFFFAOYSA-N -1 1 372.406 2.949 20 5 FFBDMM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000075639931 508125246 /nfs/dbraw/zinc/12/52/46/508125246.db2.gz RHRSIOPKUAAXTF-QMMMGPOBSA-N -1 1 351.222 2.680 20 5 FFBDMM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000083981030 508261577 /nfs/dbraw/zinc/26/15/77/508261577.db2.gz WCPZSPXFNWYNQJ-UHFFFAOYSA-N -1 1 361.832 2.800 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000115582864 508412561 /nfs/dbraw/zinc/41/25/61/508412561.db2.gz GYDXHQSIBIMLJQ-GFCCVEGCSA-N -1 1 367.452 2.604 20 5 FFBDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000127846412 508509732 /nfs/dbraw/zinc/50/97/32/508509732.db2.gz KJKPLCSEPHSMSL-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(Cl)c1 ZINC000134664349 508556592 /nfs/dbraw/zinc/55/65/92/508556592.db2.gz RNKODKYBAVVULB-UHFFFAOYSA-N -1 1 360.750 2.680 20 5 FFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191797031 509184503 /nfs/dbraw/zinc/18/45/03/509184503.db2.gz AHPKUJIDHANICH-UHFFFAOYSA-N -1 1 350.396 2.813 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000191876264 509226813 /nfs/dbraw/zinc/22/68/13/509226813.db2.gz WQBBBOVGZDLGTG-UHFFFAOYSA-N -1 1 355.148 2.532 20 5 FFBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000185719958 509323661 /nfs/dbraw/zinc/32/36/61/509323661.db2.gz YWBOMZCUPRKJCT-UONOGXRCSA-N -1 1 351.403 2.751 20 5 FFBDMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185845856 509383907 /nfs/dbraw/zinc/38/39/07/509383907.db2.gz BSFSKDCCPSOYAW-UHFFFAOYSA-N -1 1 371.271 2.866 20 5 FFBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000173461691 509614365 /nfs/dbraw/zinc/61/43/65/509614365.db2.gz JZNCSLJAALHMFC-CYBMUJFWSA-N -1 1 353.425 2.789 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000186678166 509847463 /nfs/dbraw/zinc/84/74/63/509847463.db2.gz YQGOKXBTECBRMG-MRVPVSSYSA-N -1 1 361.832 2.787 20 5 FFBDMM Cc1ccc(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1C ZINC000193431472 509912777 /nfs/dbraw/zinc/91/27/77/509912777.db2.gz WIDZNPRPRAYXGK-UHFFFAOYSA-N -1 1 371.393 2.996 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)s1 ZINC000190343580 510073594 /nfs/dbraw/zinc/07/35/94/510073594.db2.gz DUGZWXDTCWGCNR-NSHDSACASA-N -1 1 354.409 2.718 20 5 FFBDMM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194032462 510184801 /nfs/dbraw/zinc/18/48/01/510184801.db2.gz CMJVCFSZYFQSPL-NSHDSACASA-N -1 1 355.272 2.771 20 5 FFBDMM COc1cc(CN2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262634169 510344561 /nfs/dbraw/zinc/34/45/61/510344561.db2.gz FVKVQELPGUQTNX-SECBINFHSA-N -1 1 360.313 2.501 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000293994955 510923655 /nfs/dbraw/zinc/92/36/55/510923655.db2.gz CRCPORBNUUCTOY-UHFFFAOYSA-N -1 1 364.383 2.601 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000294122215 510962935 /nfs/dbraw/zinc/96/29/35/510962935.db2.gz PROAEGGXHSEVLJ-ZDUSSCGKSA-N -1 1 363.757 2.642 20 5 FFBDMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000271652505 511276548 /nfs/dbraw/zinc/27/65/48/511276548.db2.gz IGVGHBRLHXXMIF-GXFFZTMASA-N -1 1 362.835 2.730 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000291961753 511409322 /nfs/dbraw/zinc/40/93/22/511409322.db2.gz POKHHZBCDMSGAK-UHFFFAOYSA-N -1 1 373.818 2.894 20 5 FFBDMM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000280814677 511613507 /nfs/dbraw/zinc/61/35/07/511613507.db2.gz ROAKZPRHLMTDPG-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000325606883 511849403 /nfs/dbraw/zinc/84/94/03/511849403.db2.gz PURRBOOOVGZVHZ-UHFFFAOYSA-N -1 1 354.340 2.612 20 5 FFBDMM COc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000274916249 511986912 /nfs/dbraw/zinc/98/69/12/511986912.db2.gz VZMADZLFYKIWSC-ZDUSSCGKSA-N -1 1 373.365 2.690 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412011342 512912351 /nfs/dbraw/zinc/91/23/51/512912351.db2.gz NYJSFMDGLIXXEJ-IBGZPJMESA-N -1 1 372.421 2.920 20 5 FFBDMM CSCc1cc(F)ccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000447203565 513417166 /nfs/dbraw/zinc/41/71/66/513417166.db2.gz MILGVNYDTONFBK-UHFFFAOYSA-N -1 1 351.359 2.628 20 5 FFBDMM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000447710715 513549560 /nfs/dbraw/zinc/54/95/60/513549560.db2.gz RKNBNZZKOPAVAP-NSHDSACASA-N -1 1 359.235 2.710 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000416491262 513800698 /nfs/dbraw/zinc/80/06/98/513800698.db2.gz XIVNXXLJDJMNJD-DTWKUNHWSA-N -1 1 356.297 2.783 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)s1 ZINC000443093444 513869846 /nfs/dbraw/zinc/86/98/46/513869846.db2.gz MFMITTBJLZLDPX-UHFFFAOYSA-N -1 1 351.409 2.659 20 5 FFBDMM Cc1cccnc1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451808823 513993605 /nfs/dbraw/zinc/99/36/05/513993605.db2.gz KPWOXPLWBHNANJ-UHFFFAOYSA-N -1 1 369.830 2.863 20 5 FFBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000443925622 514072329 /nfs/dbraw/zinc/07/23/29/514072329.db2.gz IUFSWIWMCDIWIH-PELKAZGASA-N -1 1 370.349 2.859 20 5 FFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000444218368 514157155 /nfs/dbraw/zinc/15/71/55/514157155.db2.gz FXGNVMGLMYLGFS-PSASIEDQSA-N -1 1 363.233 2.824 20 5 FFBDMM COC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000427280195 514171020 /nfs/dbraw/zinc/17/10/20/514171020.db2.gz KLTCCOVDQMXVOZ-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c(OC)c2)[n-]c1=O ZINC000432693349 514262521 /nfs/dbraw/zinc/26/25/21/514262521.db2.gz BUSDFUOXATXPPP-JXMROGBWSA-N -1 1 359.338 2.836 20 5 FFBDMM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445139841 514425557 /nfs/dbraw/zinc/42/55/57/514425557.db2.gz RHMGDRKKQNCBEQ-CYBMUJFWSA-N -1 1 369.299 2.989 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000445189378 514438606 /nfs/dbraw/zinc/43/86/06/514438606.db2.gz JWOIWDAPTINQAH-VIFPVBQESA-N -1 1 371.378 2.705 20 5 FFBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000479553499 514628845 /nfs/dbraw/zinc/62/88/45/514628845.db2.gz PQEWUNNDOIJGNM-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM O=C(N=c1ccc([O-])n[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000484454588 514657499 /nfs/dbraw/zinc/65/74/99/514657499.db2.gz QUGBZWSLYNJHQH-UHFFFAOYSA-N -1 1 352.306 2.557 20 5 FFBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000484526363 514675843 /nfs/dbraw/zinc/67/58/43/514675843.db2.gz GMYKCBOSTFYTFJ-MRXNPFEDSA-N -1 1 373.365 2.594 20 5 FFBDMM COc1ccc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508222292 514712811 /nfs/dbraw/zinc/71/28/11/514712811.db2.gz UVJNNODCAKATTP-UHFFFAOYSA-N -1 1 352.368 2.727 20 5 FFBDMM O=C(c1csc(=NC2CC2)[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000498040113 514734994 /nfs/dbraw/zinc/73/49/94/514734994.db2.gz UORRMECZZWSANR-UHFFFAOYSA-N -1 1 358.423 2.852 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1F ZINC000475790461 514810636 /nfs/dbraw/zinc/81/06/36/514810636.db2.gz NIFNKJLSADELLA-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000480068797 514831136 /nfs/dbraw/zinc/83/11/36/514831136.db2.gz JUJUDDNFJRYIIF-ZDUSSCGKSA-N -1 1 368.411 2.861 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)c([N+](=O)[O-])n1 ZINC000462290304 514977367 /nfs/dbraw/zinc/97/73/67/514977367.db2.gz SGJTVQUOAXWKAQ-CYBMUJFWSA-N -1 1 356.448 2.593 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2snnc2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000489853813 514999938 /nfs/dbraw/zinc/99/99/38/514999938.db2.gz LWSLFBDIJQHCRV-UHFFFAOYSA-N -1 1 364.383 2.783 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 ZINC000503881353 515159178 /nfs/dbraw/zinc/15/91/78/515159178.db2.gz BJEAXLJGQCUZTA-ZDUSSCGKSA-N -1 1 368.411 2.861 20 5 FFBDMM Cc1cccc(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000509644105 515272113 /nfs/dbraw/zinc/27/21/13/515272113.db2.gz ZJEDZLIIJFWFPP-UHFFFAOYSA-N -1 1 369.830 2.863 20 5 FFBDMM CC(C)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000505614335 515611307 /nfs/dbraw/zinc/61/13/07/515611307.db2.gz XGSFPXGEWYPHNP-UHFFFAOYSA-N -1 1 369.421 2.867 20 5 FFBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000495272994 516126867 /nfs/dbraw/zinc/12/68/67/516126867.db2.gz SHVGTFDLUIFCAB-UHFFFAOYSA-N -1 1 368.305 2.672 20 5 FFBDMM Cc1ccc(F)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000535600001 516416844 /nfs/dbraw/zinc/41/68/44/516416844.db2.gz SEUOVPHDZFLAHG-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543851160 516460545 /nfs/dbraw/zinc/46/05/45/516460545.db2.gz RYPCRGDHMBMSSU-UHFFFAOYSA-N -1 1 367.190 2.585 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000523495962 516487708 /nfs/dbraw/zinc/48/77/08/516487708.db2.gz MRVWPRHZMOQZAM-UHFFFAOYSA-N -1 1 368.798 2.662 20 5 FFBDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000547878403 516614911 /nfs/dbraw/zinc/61/49/11/516614911.db2.gz ZPKNCLOHSJNIFY-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000518491672 516678800 /nfs/dbraw/zinc/67/88/00/516678800.db2.gz YOIMAZWWOVYOAB-UHFFFAOYSA-N -1 1 364.774 2.666 20 5 FFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CO2 ZINC000532197912 516854670 /nfs/dbraw/zinc/85/46/70/516854670.db2.gz BSPLPSHMNFIWIH-AWEZNQCLSA-N -1 1 362.407 2.932 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000525174527 516944142 /nfs/dbraw/zinc/94/41/42/516944142.db2.gz REWJZYQEQUTNNH-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 ZINC000525186022 516950403 /nfs/dbraw/zinc/95/04/03/516950403.db2.gz UPLVNEJLLITRQN-UHFFFAOYSA-N -1 1 361.423 2.995 20 5 FFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000548474439 517007041 /nfs/dbraw/zinc/00/70/41/517007041.db2.gz YXTWXZGJSJTBLI-LLVKDONJSA-N -1 1 356.322 2.613 20 5 FFBDMM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533180468 517328416 /nfs/dbraw/zinc/32/84/16/517328416.db2.gz RSRWKYSGUXATBX-AWEZNQCLSA-N -1 1 366.443 2.501 20 5 FFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000516075902 517557154 /nfs/dbraw/zinc/55/71/54/517557154.db2.gz JBMDEYMVNATGTN-OLZOCXBDSA-N -1 1 366.414 2.935 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2Cc3ccccc3C2)s1 ZINC000549864320 517753497 /nfs/dbraw/zinc/75/34/97/517753497.db2.gz JWRFDTOWCLHKDL-UHFFFAOYSA-N -1 1 352.437 2.740 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000530431221 517771471 /nfs/dbraw/zinc/77/14/71/517771471.db2.gz YLQWBFJFUBYIGM-TZMCWYRMSA-N -1 1 365.386 2.744 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000569918857 518354317 /nfs/dbraw/zinc/35/43/17/518354317.db2.gz WGYUZDPOBHGEBP-CABCVRRESA-N -1 1 361.423 2.852 20 5 FFBDMM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753543 520135411 /nfs/dbraw/zinc/13/54/11/520135411.db2.gz SHHHOJIRXIVEDU-CYBMUJFWSA-N -1 1 365.411 2.818 20 5 FFBDMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000603910917 520402225 /nfs/dbraw/zinc/40/22/25/520402225.db2.gz AYLPDQXLUMTNGN-NSHDSACASA-N -1 1 372.381 2.610 20 5 FFBDMM CCSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000595349342 520422016 /nfs/dbraw/zinc/42/20/16/520422016.db2.gz XOKZNVGTPZJEOO-UHFFFAOYSA-N -1 1 350.849 2.812 20 5 FFBDMM CC1(C)CCC[C@@](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1 ZINC000600870170 520503419 /nfs/dbraw/zinc/50/34/19/520503419.db2.gz PKHGTONDBFMGJU-KRWDZBQOSA-N -1 1 360.370 2.625 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c(Cl)c1 ZINC000610032978 520513572 /nfs/dbraw/zinc/51/35/72/520513572.db2.gz ZRIDQMNXBHRNDI-UHFFFAOYSA-N -1 1 352.759 2.697 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000598622799 520748659 /nfs/dbraw/zinc/74/86/59/520748659.db2.gz SCPGRHDYQQZSRQ-SSDOTTSWSA-N -1 1 374.287 2.937 20 5 FFBDMM CNS(=O)(=O)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000614441718 520963765 /nfs/dbraw/zinc/96/37/65/520963765.db2.gz GAJIXNOKKNRYLQ-UHFFFAOYSA-N -1 1 365.414 2.651 20 5 FFBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000599251638 521109327 /nfs/dbraw/zinc/10/93/27/521109327.db2.gz KETROPBQGQDASB-AWEZNQCLSA-N -1 1 366.443 2.702 20 5 FFBDMM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000599431950 521220510 /nfs/dbraw/zinc/22/05/10/521220510.db2.gz VMPDIBTVLVEEAR-HDJSIYSDSA-N -1 1 371.459 2.642 20 5 FFBDMM CC(C)[C@@H](CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)NC(=O)[O-] ZINC000824105537 603570587 /nfs/dbraw/zinc/57/05/87/603570587.db2.gz XLTFMFNSQXUNBF-GFCCVEGCSA-N -1 1 350.375 2.850 20 5 FFBDMM O=C([O-])c1cccc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000833763739 605060310 /nfs/dbraw/zinc/06/03/10/605060310.db2.gz CINXSXCHNJETQZ-UHFFFAOYSA-N -1 1 354.322 2.741 20 5 FFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823187724 606570561 /nfs/dbraw/zinc/57/05/61/606570561.db2.gz OYCWFKIILUDHQT-UHFFFAOYSA-N -1 1 372.410 2.589 20 5 FFBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823187724 606570563 /nfs/dbraw/zinc/57/05/63/606570563.db2.gz OYCWFKIILUDHQT-UHFFFAOYSA-N -1 1 372.410 2.589 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(Cl)s1 ZINC000823624740 606699784 /nfs/dbraw/zinc/69/97/84/606699784.db2.gz HYPVTICZSFRJLB-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(Cl)s1 ZINC000823624740 606699786 /nfs/dbraw/zinc/69/97/86/606699786.db2.gz HYPVTICZSFRJLB-UHFFFAOYSA-N -1 1 351.779 2.539 20 5 FFBDMM CC(C)N(C)c1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820111982 606709376 /nfs/dbraw/zinc/70/93/76/606709376.db2.gz HHJOSVWTBBYCJR-UHFFFAOYSA-N -1 1 354.374 2.758 20 5 FFBDMM CC(C)N(C)c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820111982 606709378 /nfs/dbraw/zinc/70/93/78/606709378.db2.gz HHJOSVWTBBYCJR-UHFFFAOYSA-N -1 1 354.374 2.758 20 5 FFBDMM C[C@H]1[C@@H](c2ccccc2)CCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820641603 606717715 /nfs/dbraw/zinc/71/77/15/606717715.db2.gz DKVQZFROJDOGHY-AAEUAGOBSA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@H]1[C@@H](c2ccccc2)CCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820641603 606717718 /nfs/dbraw/zinc/71/77/18/606717718.db2.gz DKVQZFROJDOGHY-AAEUAGOBSA-N -1 1 351.370 2.552 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620229 606718421 /nfs/dbraw/zinc/71/84/21/606718421.db2.gz INQPWUOKHJPKCL-IUCAKERBSA-N -1 1 371.323 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620229 606718423 /nfs/dbraw/zinc/71/84/23/606718423.db2.gz INQPWUOKHJPKCL-IUCAKERBSA-N -1 1 371.323 2.951 20 5 FFBDMM Cc1nc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2s1 ZINC000826329104 609316821 /nfs/dbraw/zinc/31/68/21/609316821.db2.gz QELCVFRKCQEJSW-UHFFFAOYSA-N -1 1 354.355 2.832 20 5 FFBDMM Cc1nc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2s1 ZINC000826329104 609316822 /nfs/dbraw/zinc/31/68/22/609316822.db2.gz QELCVFRKCQEJSW-UHFFFAOYSA-N -1 1 354.355 2.832 20 5 FFBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000157012399 728864048 /nfs/dbraw/zinc/86/40/48/728864048.db2.gz QOYOUVBYQMOICW-UHFFFAOYSA-N -1 1 353.672 2.821 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000160980130 728927753 /nfs/dbraw/zinc/92/77/53/728927753.db2.gz VLUOUYQGZWFWJC-UHFFFAOYSA-N -1 1 362.835 2.612 20 5 FFBDMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000081054317 728393059 /nfs/dbraw/zinc/39/30/59/728393059.db2.gz JMRYKXCQTJKVBE-VIFPVBQESA-N -1 1 365.249 2.928 20 5 FFBDMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000081054322 728393226 /nfs/dbraw/zinc/39/32/26/728393226.db2.gz JMRYKXCQTJKVBE-SECBINFHSA-N -1 1 365.249 2.928 20 5 FFBDMM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000118438778 728582519 /nfs/dbraw/zinc/58/25/19/728582519.db2.gz OGLILSKODOSFSW-ABAIWWIYSA-N -1 1 374.434 2.854 20 5 FFBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000132279732 728724158 /nfs/dbraw/zinc/72/41/58/728724158.db2.gz YCDITXSJHRGQNH-PSASIEDQSA-N -1 1 363.233 2.824 20 5 FFBDMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173610994 729051076 /nfs/dbraw/zinc/05/10/76/729051076.db2.gz JJHQBPAWGSAQTN-LLVKDONJSA-N -1 1 371.846 2.886 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000195142067 729530235 /nfs/dbraw/zinc/53/02/35/729530235.db2.gz QQEHTLBICGOXBJ-CYBMUJFWSA-N -1 1 366.370 2.926 20 5 FFBDMM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000857252219 730387662 /nfs/dbraw/zinc/38/76/62/730387662.db2.gz NATZQKUOSKJJGC-SNVBAGLBSA-N -1 1 370.818 2.695 20 5 FFBDMM CCS[C@H](C)c1noc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780067929 738512801 /nfs/dbraw/zinc/51/28/01/738512801.db2.gz ILXMPVQTUZCDOX-MRVPVSSYSA-N -1 1 353.356 2.855 20 5 FFBDMM CC(C)CN(CC(C)C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075857 738514360 /nfs/dbraw/zinc/51/43/60/738514360.db2.gz MYLOHNBDMJQKRK-UHFFFAOYSA-N -1 1 352.387 2.598 20 5 FFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1Cl ZINC000777907726 738330223 /nfs/dbraw/zinc/33/02/23/738330223.db2.gz ZQEFCWNRTWCPJR-UHFFFAOYSA-N -1 1 356.743 2.778 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000782259979 738703375 /nfs/dbraw/zinc/70/33/75/738703375.db2.gz PZFCTWXMEBSTML-UHFFFAOYSA-N -1 1 359.363 2.952 20 5 FFBDMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000747594828 735572075 /nfs/dbraw/zinc/57/20/75/735572075.db2.gz BLNFNLVIPUTKTH-JXMROGBWSA-N -1 1 362.363 2.582 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000749300750 735712125 /nfs/dbraw/zinc/71/21/25/735712125.db2.gz WZUGQMULQSLJIQ-SNVBAGLBSA-N -1 1 355.803 2.725 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(C)c([N+](=O)[O-])c1 ZINC000792627380 739687852 /nfs/dbraw/zinc/68/78/52/739687852.db2.gz PYYCCBLIQKTLQE-UHFFFAOYSA-N -1 1 365.323 2.912 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CCC2(CCC2)O1 ZINC000921931665 738068352 /nfs/dbraw/zinc/06/83/52/738068352.db2.gz AJDYQMRJWBIIOH-LLVKDONJSA-N -1 1 358.391 2.504 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000777677250 738312776 /nfs/dbraw/zinc/31/27/76/738312776.db2.gz JLVSFAMBGRDTNQ-UHFFFAOYSA-N -1 1 365.367 2.882 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccsc2)cc1Cl ZINC000798225800 740314171 /nfs/dbraw/zinc/31/41/71/740314171.db2.gz LZVXDHBERYGDHV-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccc[nH]2)c(Cl)cc1Cl ZINC000798228926 740314576 /nfs/dbraw/zinc/31/45/76/740314576.db2.gz SERQSXFOAOPGOX-UHFFFAOYSA-N -1 1 350.183 2.708 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(F)c1 ZINC000800051258 740478688 /nfs/dbraw/zinc/47/86/88/740478688.db2.gz IIZJXMFYCRUCIA-UHFFFAOYSA-N -1 1 358.322 2.991 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000805140608 740944781 /nfs/dbraw/zinc/94/47/81/740944781.db2.gz VYNUVZFXYZGWCC-SECBINFHSA-N -1 1 350.849 2.670 20 5 FFBDMM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809807927 741345848 /nfs/dbraw/zinc/34/58/48/741345848.db2.gz VEGZBOSMBCBQOR-QMMMGPOBSA-N -1 1 362.766 2.890 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC2CCC2)c(Cl)cc1Cl ZINC000809820933 741348418 /nfs/dbraw/zinc/34/84/18/741348418.db2.gz JOJYJPKEXFPCEQ-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000809827756 741349756 /nfs/dbraw/zinc/34/97/56/741349756.db2.gz DMIIMBUPNIZQBS-CMPLNLGQSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000809829658 741350081 /nfs/dbraw/zinc/35/00/81/741350081.db2.gz FUTIKRBAGIXNKU-YUMQZZPRSA-N -1 1 366.798 2.622 20 5 FFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1Cl ZINC000811832518 741565201 /nfs/dbraw/zinc/56/52/01/741565201.db2.gz SMCLJPGWBRLTBA-UHFFFAOYSA-N -1 1 366.733 2.511 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOC2CCC2)c1Cl ZINC000830732487 745421650 /nfs/dbraw/zinc/42/16/50/745421650.db2.gz CAADNMQNPKOZFR-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(CO)CCCC1 ZINC000841528975 747386112 /nfs/dbraw/zinc/38/61/12/747386112.db2.gz XJINTRHZHAFTMS-OAHLLOKOSA-N -1 1 374.434 2.590 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000849311685 749098117 /nfs/dbraw/zinc/09/81/17/749098117.db2.gz OXMWQWNCQNNTEO-UHFFFAOYSA-N -1 1 366.370 2.916 20 5 FFBDMM CC(C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Nc1ccccc1 ZINC000820020428 945330407 /nfs/dbraw/zinc/33/04/07/945330407.db2.gz GGVWPLBVWBVYAG-CQSZACIVSA-N -1 1 368.401 2.719 20 5 FFBDMM CC(C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Nc1ccccc1 ZINC000820020428 945330416 /nfs/dbraw/zinc/33/04/16/945330416.db2.gz GGVWPLBVWBVYAG-CQSZACIVSA-N -1 1 368.401 2.719 20 5 FFBDMM CC(C)c1cc([C@H]2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)[nH]n1 ZINC001591931738 976442340 /nfs/dbraw/zinc/44/23/40/976442340.db2.gz ZRBWYISQYIGBEZ-NSHDSACASA-N -1 1 359.386 2.919 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)nc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937530 978218805 /nfs/dbraw/zinc/21/88/05/978218805.db2.gz ZIEOBZRJROCVHU-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM C[C@@H]1CN(CCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)O1 ZINC001594526659 986058087 /nfs/dbraw/zinc/05/80/87/986058087.db2.gz BOAVDQYKIBINTB-GHMZBOCLSA-N -1 1 371.821 2.858 20 5 FFBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001594533382 986135844 /nfs/dbraw/zinc/13/58/44/986135844.db2.gz CAYYPHVMWAWPQU-OAHLLOKOSA-N -1 1 369.421 2.999 20 5 FFBDMM CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])ccc1F ZINC001597482692 987981585 /nfs/dbraw/zinc/98/15/85/987981585.db2.gz TXMKFOQJTXTIQQ-UHFFFAOYSA-N -1 1 368.342 2.795 20 5 FFBDMM O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1[N-]c1cnc([N+](=O)[O-])cn1 ZINC001170617875 994953108 /nfs/dbraw/zinc/95/31/08/994953108.db2.gz ZTFJLYFLIVRLIQ-SFHVURJKSA-N -1 1 374.360 2.613 20 5 FFBDMM COc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1C ZINC001599356495 998187646 /nfs/dbraw/zinc/18/76/46/998187646.db2.gz PGQCPEZCXZYWMX-UHFFFAOYSA-N -1 1 370.321 2.739 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cccc(F)c2)cc1F ZINC001184855008 1002723390 /nfs/dbraw/zinc/72/33/90/1002723390.db2.gz QUOURTNSMIARAZ-UHFFFAOYSA-N -1 1 356.350 2.702 20 5 FFBDMM COc1c([N+](=O)[O-])cc(Cl)c(C)c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170228880 1003074313 /nfs/dbraw/zinc/07/43/13/1003074313.db2.gz MVAWVEMKGZGZLC-UHFFFAOYSA-N -1 1 350.722 2.681 20 5 FFBDMM CCOC(=O)c1nc([C@@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n[n-]1 ZINC001186989811 1003502256 /nfs/dbraw/zinc/50/22/56/1003502256.db2.gz NADIOVZQDNYHDD-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1nnc([C@@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])[n-]1 ZINC001186989811 1003502265 /nfs/dbraw/zinc/50/22/65/1003502265.db2.gz NADIOVZQDNYHDD-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC001186989811 1003502269 /nfs/dbraw/zinc/50/22/69/1003502269.db2.gz NADIOVZQDNYHDD-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)c(F)c1 ZINC001193926683 1004606177 /nfs/dbraw/zinc/60/61/77/1004606177.db2.gz KNZMIOUANCMQKA-CYBMUJFWSA-N -1 1 360.313 2.862 20 5 FFBDMM CC(C)c1nccn1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001195115311 1004895824 /nfs/dbraw/zinc/89/58/24/1004895824.db2.gz GVIUQZBOIKUWOT-UHFFFAOYSA-N -1 1 372.834 2.547 20 5 FFBDMM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1n[n-]nc1C(F)(F)F ZINC001187764253 1006239334 /nfs/dbraw/zinc/23/93/34/1006239334.db2.gz VUMQQGLJVZBELN-UHFFFAOYSA-N -1 1 373.298 2.754 20 5 FFBDMM C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074057 1019567864 /nfs/dbraw/zinc/56/78/64/1019567864.db2.gz FXQWUNJVQNDKEZ-GFCCVEGCSA-N -1 1 358.350 2.677 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccncc3)s2)c1 ZINC001116315746 1021164075 /nfs/dbraw/zinc/16/40/75/1021164075.db2.gz OLVDHJGNYCFYJK-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM CC(C)(C)c1cccc(OCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC001160821104 1027889314 /nfs/dbraw/zinc/88/93/14/1027889314.db2.gz DYOOOMFUJXHNOZ-UHFFFAOYSA-N -1 1 359.382 2.802 20 5 FFBDMM O=C(Nc1ccc([O-])c(F)c1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001157805975 1029667140 /nfs/dbraw/zinc/66/71/40/1029667140.db2.gz SOOBRTPOWJQKEY-UHFFFAOYSA-N -1 1 352.249 2.602 20 5 FFBDMM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225667661 1034358734 /nfs/dbraw/zinc/35/87/34/1034358734.db2.gz VWEZUJQBEDQIMW-NSHDSACASA-N -1 1 365.386 2.864 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCOC3=O)c([N+](=O)[O-])c2)cc1 ZINC001227700561 1035684840 /nfs/dbraw/zinc/68/48/40/1035684840.db2.gz XKRRMKPDZFLQKP-HNNXBMFYSA-N -1 1 357.318 2.534 20 5 FFBDMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227715114 1035691438 /nfs/dbraw/zinc/69/14/38/1035691438.db2.gz YZLDRDNPEZWSBD-SFYZADRCSA-N -1 1 361.310 2.550 20 5 FFBDMM O=c1[n-]cnc(O[C@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC001228141180 1035957895 /nfs/dbraw/zinc/95/78/95/1035957895.db2.gz PEJIHLZVCQPDTQ-JTQLQIEISA-N -1 1 352.144 2.919 20 5 FFBDMM Cc1cc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2F)cc1[N+](=O)[O-] ZINC001229749555 1036867384 /nfs/dbraw/zinc/86/73/84/1036867384.db2.gz DGJMKXOPMSYXMT-IINYFYTJSA-N -1 1 356.350 2.945 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOCC12CCCC2 ZINC001214064430 1041203623 /nfs/dbraw/zinc/20/36/23/1041203623.db2.gz IPNYZZLKHBPTAE-ZDUSSCGKSA-N -1 1 374.846 2.876 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)cc1F ZINC001309696404 1043485842 /nfs/dbraw/zinc/48/58/42/1043485842.db2.gz XTBIEKKKGCIISC-LBPRGKRZSA-N -1 1 352.334 2.756 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001309785534 1043524902 /nfs/dbraw/zinc/52/49/02/1043524902.db2.gz YIBRHSRBKGDOCH-ZDUSSCGKSA-N -1 1 362.835 2.874 20 5 FFBDMM COc1ccccc1-c1nnc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC001319936094 1045306930 /nfs/dbraw/zinc/30/69/30/1045306930.db2.gz CLVALBFUOYECKW-UHFFFAOYSA-N -1 1 371.305 2.716 20 5 FFBDMM COC(=O)c1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001444661497 1058320496 /nfs/dbraw/zinc/32/04/96/1058320496.db2.gz HSLQAVMQDQUJBP-UHFFFAOYSA-N -1 1 364.741 2.922 20 5 FFBDMM CN(Cc1cscc1Br)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457980409 1060482787 /nfs/dbraw/zinc/48/27/87/1060482787.db2.gz DVCZJWRNZZTXQF-UHFFFAOYSA-N -1 1 372.200 2.792 20 5 FFBDMM CSc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001475242699 1061015736 /nfs/dbraw/zinc/01/57/36/1061015736.db2.gz FLIYXHXZRSLHAX-JTQLQIEISA-N -1 1 353.425 2.751 20 5 FFBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)cc1Cl ZINC001462955977 1061863400 /nfs/dbraw/zinc/86/34/00/1061863400.db2.gz YMNKSMBOUCYOCF-UHFFFAOYSA-N -1 1 371.680 2.758 20 5 FFBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])ccn1 ZINC001463751448 1062244147 /nfs/dbraw/zinc/24/41/47/1062244147.db2.gz TWRZDMRGRHUNQG-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COCc2ccccc21 ZINC001463915469 1062331023 /nfs/dbraw/zinc/33/10/23/1062331023.db2.gz RAWYUCZKCVHONQ-CYBMUJFWSA-N -1 1 368.798 2.798 20 5 FFBDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OCC ZINC001464151819 1062451190 /nfs/dbraw/zinc/45/11/90/1062451190.db2.gz KEJJZHTXJPVEQY-SECBINFHSA-N -1 1 368.814 2.871 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001464327312 1062548292 /nfs/dbraw/zinc/54/82/92/1062548292.db2.gz BLEBLXKFRBLNHH-CYBMUJFWSA-N -1 1 362.835 2.874 20 5 FFBDMM CCC(=O)N(C)c1ccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001576412001 1078226408 /nfs/dbraw/zinc/22/64/08/1078226408.db2.gz RFMQQZRNFMWNGI-UHFFFAOYSA-N -1 1 373.398 2.953 20 5 FFBDMM CCC(=O)N(C)c1ccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001576412001 1078226411 /nfs/dbraw/zinc/22/64/11/1078226411.db2.gz RFMQQZRNFMWNGI-UHFFFAOYSA-N -1 1 373.398 2.953 20 5 FFBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)o2)c(Br)c1 ZINC001582804022 1079109675 /nfs/dbraw/zinc/10/96/75/1079109675.db2.gz FVCMJOKFSHLIJB-UHFFFAOYSA-N -1 1 366.131 2.709 20 5 FFBDMM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)o2)c(Br)c1 ZINC001582804022 1079109682 /nfs/dbraw/zinc/10/96/82/1079109682.db2.gz FVCMJOKFSHLIJB-UHFFFAOYSA-N -1 1 366.131 2.709 20 5 FFBDMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001583640586 1079244305 /nfs/dbraw/zinc/24/43/05/1079244305.db2.gz CTDIZYLSCNTITJ-UONOGXRCSA-N -1 1 354.366 2.711 20 5 FFBDMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001585746462 1079494681 /nfs/dbraw/zinc/49/46/81/1079494681.db2.gz MDGQDWHBEHNBPY-GFCCVEGCSA-N -1 1 370.333 2.779 20 5 FFBDMM O=C(NCc1ccc(Oc2ccccc2)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559005108 1076114385 /nfs/dbraw/zinc/11/43/85/1076114385.db2.gz KNSXISCRTCDLJQ-UHFFFAOYSA-N -1 1 366.333 2.813 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)c(F)cc1[N+](=O)[O-] ZINC001561576185 1076394330 /nfs/dbraw/zinc/39/43/30/1076394330.db2.gz AIJJHLQIPFDWGF-LLVKDONJSA-N -1 1 371.217 2.905 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001561933966 1076449045 /nfs/dbraw/zinc/44/90/45/1076449045.db2.gz AIMVYFSFBFWRPN-HNNXBMFYSA-N -1 1 374.422 2.911 20 5 FFBDMM CC(=O)N(C)c1ccc(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC001588800301 1080201366 /nfs/dbraw/zinc/20/13/66/1080201366.db2.gz IQEKKMSJUBIUGS-UHFFFAOYSA-N -1 1 353.342 2.501 20 5 FFBDMM CC(=O)c1c(C)cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC001588889629 1080238370 /nfs/dbraw/zinc/23/83/70/1080238370.db2.gz UVKOIXHDBMGSME-UHFFFAOYSA-N -1 1 354.326 2.782 20 5 FFBDMM CC(=O)c1c(C)cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C ZINC001588889629 1080238380 /nfs/dbraw/zinc/23/83/80/1080238380.db2.gz UVKOIXHDBMGSME-UHFFFAOYSA-N -1 1 354.326 2.782 20 5 FFBDMM C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C(=O)[O-] ZINC001589355761 1080499362 /nfs/dbraw/zinc/49/93/62/1080499362.db2.gz WLUQEDNVWIYMBN-GXSJLCMTSA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC001589877009 1080824855 /nfs/dbraw/zinc/82/48/55/1080824855.db2.gz FBMXYWDRDQLEGT-SNVBAGLBSA-N -1 1 358.333 2.793 20 5 FFBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001589877009 1080824856 /nfs/dbraw/zinc/82/48/56/1080824856.db2.gz FBMXYWDRDQLEGT-SNVBAGLBSA-N -1 1 358.333 2.793 20 5 FFBDMM CC(F)(F)CCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589910354 1080856360 /nfs/dbraw/zinc/85/63/60/1080856360.db2.gz CZOYHBDLEIJYDV-UHFFFAOYSA-N -1 1 364.312 2.525 20 5 FFBDMM C[C@H]1C[C@@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590214189 1081096610 /nfs/dbraw/zinc/09/66/10/1081096610.db2.gz JZTWHNVKIDMLDK-ZBEGNZNMSA-N -1 1 351.370 2.757 20 5 FFBDMM C[C@H]1C[C@@H](c2cccnc2)N(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590214189 1081096615 /nfs/dbraw/zinc/09/66/15/1081096615.db2.gz JZTWHNVKIDMLDK-ZBEGNZNMSA-N -1 1 351.370 2.757 20 5 FFBDMM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590255800 1081126886 /nfs/dbraw/zinc/12/68/86/1081126886.db2.gz XVQFNVLNZQJKNN-MWLCHTKSSA-N -1 1 352.420 2.844 20 5 FFBDMM C[C@@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590255800 1081126888 /nfs/dbraw/zinc/12/68/88/1081126888.db2.gz XVQFNVLNZQJKNN-MWLCHTKSSA-N -1 1 352.420 2.844 20 5 FFBDMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029371135 249349473 /nfs/dbraw/zinc/34/94/73/249349473.db2.gz JHEFRJZVDIMQMM-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000273547249 252327579 /nfs/dbraw/zinc/32/75/79/252327579.db2.gz LYGKWSBNCYIZMU-GHMZBOCLSA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000287167370 257075344 /nfs/dbraw/zinc/07/53/44/257075344.db2.gz DJXVFOGWVJHRDL-SECBINFHSA-N -1 1 350.849 2.670 20 5 FFBDMM O=C(NCc1nc(-c2ccccc2F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373244759 512238778 /nfs/dbraw/zinc/23/87/78/512238778.db2.gz RSAWDYXNRVYGTL-UHFFFAOYSA-N -1 1 374.353 2.888 20 5 FFBDMM CN(CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066001482 506409810 /nfs/dbraw/zinc/40/98/10/506409810.db2.gz NVEVINFKWYMSBO-UHFFFAOYSA-N -1 1 369.468 2.851 20 5 FFBDMM CCc1nnc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000010959120 506760422 /nfs/dbraw/zinc/76/04/22/506760422.db2.gz VZAYDCZAXHIKSQ-UHFFFAOYSA-N -1 1 374.325 2.871 20 5 FFBDMM CCn1c(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n[n-]c1=S ZINC000068454071 507237816 /nfs/dbraw/zinc/23/78/16/507237816.db2.gz GHJQUQHTGPGTAF-UHFFFAOYSA-N -1 1 361.427 2.889 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1[N+](=O)[O-] ZINC000091369933 507982463 /nfs/dbraw/zinc/98/24/63/507982463.db2.gz QWWTWFUTYIZBSN-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000156773759 508475181 /nfs/dbraw/zinc/47/51/81/508475181.db2.gz DKFMXUNDSOJZMJ-UHFFFAOYSA-N -1 1 374.378 2.595 20 5 FFBDMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000127643180 508481335 /nfs/dbraw/zinc/48/13/35/508481335.db2.gz KKXZUVVZVMUILB-UHFFFAOYSA-N -1 1 355.272 2.986 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cnc2n1 ZINC000129748964 508761740 /nfs/dbraw/zinc/76/17/40/508761740.db2.gz XLZKMAQQESFODB-UHFFFAOYSA-N -1 1 364.361 2.751 20 5 FFBDMM Cc1ccc2c(=O)c(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c[n-]c2n1 ZINC000129748964 508761743 /nfs/dbraw/zinc/76/17/43/508761743.db2.gz XLZKMAQQESFODB-UHFFFAOYSA-N -1 1 364.361 2.751 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000119548322 508816266 /nfs/dbraw/zinc/81/62/66/508816266.db2.gz SEVTXPSHTCRFSK-NSHDSACASA-N -1 1 368.798 2.530 20 5 FFBDMM COCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000125321464 508965301 /nfs/dbraw/zinc/96/53/01/508965301.db2.gz LEOHMGLJEBLQIU-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121469545 509175638 /nfs/dbraw/zinc/17/56/38/509175638.db2.gz SUUORYZEDUHECC-CYBMUJFWSA-N -1 1 370.814 2.650 20 5 FFBDMM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185750455 509337701 /nfs/dbraw/zinc/33/77/01/509337701.db2.gz BQQPAUPLXYSUJS-UHFFFAOYSA-N -1 1 360.757 2.803 20 5 FFBDMM COC(=O)CCSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000264118338 509337907 /nfs/dbraw/zinc/33/79/07/509337907.db2.gz WPJHPIPPHUZKKU-UHFFFAOYSA-N -1 1 363.395 2.972 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163193587 509350286 /nfs/dbraw/zinc/35/02/86/509350286.db2.gz JHJHHLCOQUEOEA-UHFFFAOYSA-N -1 1 373.394 2.743 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000185965478 509453480 /nfs/dbraw/zinc/45/34/80/509453480.db2.gz ANSZBHFMMNTMBZ-NSHDSACASA-N -1 1 374.378 2.684 20 5 FFBDMM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000186072468 509509443 /nfs/dbraw/zinc/50/94/43/509509443.db2.gz VYWGMTJCCKZWGX-UHFFFAOYSA-N -1 1 362.473 2.922 20 5 FFBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173370030 509559018 /nfs/dbraw/zinc/55/90/18/509559018.db2.gz XNFIFWAJWVXQNR-CQSZACIVSA-N -1 1 355.441 2.963 20 5 FFBDMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000267601472 509560143 /nfs/dbraw/zinc/56/01/43/509560143.db2.gz DWEZNHVIRYCQIP-SNVBAGLBSA-N -1 1 371.440 2.546 20 5 FFBDMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000179866925 509654664 /nfs/dbraw/zinc/65/46/64/509654664.db2.gz RKGXDWCNUNOHLZ-NEPJUHHUSA-N -1 1 362.473 2.918 20 5 FFBDMM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186845606 509911906 /nfs/dbraw/zinc/91/19/06/509911906.db2.gz HEHSYHWSCCNUOU-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM O=C(NCc1ccccc1OC1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186969054 509979903 /nfs/dbraw/zinc/97/99/03/509979903.db2.gz KVIPLYIEEQUJGG-UHFFFAOYSA-N -1 1 357.366 2.947 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000187105700 510060432 /nfs/dbraw/zinc/06/04/32/510060432.db2.gz AHVHESWPLKOYKQ-UHFFFAOYSA-N -1 1 373.209 2.652 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCOCC2)c1Cl ZINC000295140654 511296246 /nfs/dbraw/zinc/29/62/46/511296246.db2.gz KWHWYTRLPDTTKM-QMMMGPOBSA-N -1 1 369.226 2.749 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000298648505 511360718 /nfs/dbraw/zinc/36/07/18/511360718.db2.gz JDQMLZHRPJWHBB-UHFFFAOYSA-N -1 1 364.379 2.865 20 5 FFBDMM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280734242 511581412 /nfs/dbraw/zinc/58/14/12/511581412.db2.gz JAZVZCHPURHKJD-CYBMUJFWSA-N -1 1 361.423 2.929 20 5 FFBDMM O=C([N-]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000281518812 511875668 /nfs/dbraw/zinc/87/56/68/511875668.db2.gz ZDWZCEYTQZETSW-UHFFFAOYSA-N -1 1 374.319 2.517 20 5 FFBDMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373762291 512493000 /nfs/dbraw/zinc/49/30/00/512493000.db2.gz GAQSZZFGPQPHRP-INIZCTEOSA-N -1 1 350.334 2.610 20 5 FFBDMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373762292 512493646 /nfs/dbraw/zinc/49/36/46/512493646.db2.gz GAQSZZFGPQPHRP-MRXNPFEDSA-N -1 1 350.334 2.610 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cccc(F)c2F)CC1 ZINC000369800726 512619321 /nfs/dbraw/zinc/61/93/21/512619321.db2.gz WZISGXOYBFWEOA-UHFFFAOYSA-N -1 1 363.320 2.993 20 5 FFBDMM CC1(C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382576302 512877251 /nfs/dbraw/zinc/87/72/51/512877251.db2.gz FPQCHGAMOIERTD-UHFFFAOYSA-N -1 1 370.409 2.789 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412735707 513252862 /nfs/dbraw/zinc/25/28/62/513252862.db2.gz IJDSBCSBABJFSH-INIZCTEOSA-N -1 1 369.377 2.689 20 5 FFBDMM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440316774 513292062 /nfs/dbraw/zinc/29/20/62/513292062.db2.gz PJWNGFUJADSUBF-JTQLQIEISA-N -1 1 370.148 2.866 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000431309265 513869352 /nfs/dbraw/zinc/86/93/52/513869352.db2.gz OIAQEXCFMLTQSO-UHFFFAOYSA-N -1 1 368.798 2.757 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000436504435 513877179 /nfs/dbraw/zinc/87/71/79/513877179.db2.gz JQPUPRJBBUAWBX-UHFFFAOYSA-N -1 1 364.741 2.922 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431637164 513953811 /nfs/dbraw/zinc/95/38/11/513953811.db2.gz RNBWNUWBQUYZRA-CQSZACIVSA-N -1 1 372.349 2.888 20 5 FFBDMM O=C(c1csc(=NC2CC2)[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437482843 514167894 /nfs/dbraw/zinc/16/78/94/514167894.db2.gz PZPKAMILPYBFJN-UHFFFAOYSA-N -1 1 358.423 2.852 20 5 FFBDMM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444988183 514383398 /nfs/dbraw/zinc/38/33/98/514383398.db2.gz FEEISNOUDYYIDF-ZBFHGGJFSA-N -1 1 357.366 2.654 20 5 FFBDMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000445697970 514506658 /nfs/dbraw/zinc/50/66/58/514506658.db2.gz VZMNSCYMSNXQPW-SNVBAGLBSA-N -1 1 358.313 2.989 20 5 FFBDMM COc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)cccc1[N+](=O)[O-] ZINC000475113364 514561958 /nfs/dbraw/zinc/56/19/58/514561958.db2.gz GLVSMAYWVWPGLO-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000508081602 514658180 /nfs/dbraw/zinc/65/81/80/514658180.db2.gz DILPETTWKXDPKZ-UHFFFAOYSA-N -1 1 364.370 2.850 20 5 FFBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000484526362 514677058 /nfs/dbraw/zinc/67/70/58/514677058.db2.gz GMYKCBOSTFYTFJ-INIZCTEOSA-N -1 1 373.365 2.594 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000480707883 515053430 /nfs/dbraw/zinc/05/34/30/515053430.db2.gz KTPKPHFWTNITCS-CYBMUJFWSA-N -1 1 368.411 2.861 20 5 FFBDMM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000486019547 515300664 /nfs/dbraw/zinc/30/06/64/515300664.db2.gz VWOXVMWWVCAXPW-UHFFFAOYSA-N -1 1 364.379 2.632 20 5 FFBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000477127425 515340285 /nfs/dbraw/zinc/34/02/85/515340285.db2.gz RPHNHOWICPIWSJ-UHFFFAOYSA-N -1 1 354.322 2.951 20 5 FFBDMM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cn2)n1 ZINC000504861741 515396516 /nfs/dbraw/zinc/39/65/16/515396516.db2.gz OYQYMHZEHLNWQW-UHFFFAOYSA-N -1 1 351.326 2.837 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]C2CCC3(CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000469133103 515685345 /nfs/dbraw/zinc/68/53/45/515685345.db2.gz XVUJVCMCYBGVSD-UHFFFAOYSA-N -1 1 370.475 2.983 20 5 FFBDMM O=C(NCc1cc(Br)ccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000506118023 515786498 /nfs/dbraw/zinc/78/64/98/515786498.db2.gz KSVCSWZXMYPNPK-UHFFFAOYSA-N -1 1 370.134 2.527 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC(F)F)ccc1[O-] ZINC000474300805 515981585 /nfs/dbraw/zinc/98/15/85/515981585.db2.gz FONOMMKSHJVBHA-UHFFFAOYSA-N -1 1 374.321 2.745 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000543656312 516349915 /nfs/dbraw/zinc/34/99/15/516349915.db2.gz BQULATYTGNLXGQ-UHFFFAOYSA-N -1 1 358.379 2.956 20 5 FFBDMM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551456525 516714997 /nfs/dbraw/zinc/71/49/97/516714997.db2.gz IRPJIVUNMDUKCU-UHFFFAOYSA-N -1 1 373.793 2.778 20 5 FFBDMM Cn1ncc2c1nc(Oc1ccc([N+](=O)[O-])cc1Br)[n-]c2=O ZINC000536649358 516872603 /nfs/dbraw/zinc/87/26/03/516872603.db2.gz ZLTFBKXYDKAHFZ-UHFFFAOYSA-N -1 1 366.131 2.532 20 5 FFBDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000548533570 517038792 /nfs/dbraw/zinc/03/87/92/517038792.db2.gz KTPDZSMYQITHQO-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM Cc1ccc([C@@H](CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])N2CCCC2)o1 ZINC000520818455 517522461 /nfs/dbraw/zinc/52/24/61/517522461.db2.gz NLSJTYFFDHWHJD-CQSZACIVSA-N -1 1 374.397 2.569 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CCCCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000533634411 517554219 /nfs/dbraw/zinc/55/42/19/517554219.db2.gz ZYOBQFBNQHLWSI-UHFFFAOYSA-N -1 1 366.443 2.503 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)s1 ZINC000521048707 517594088 /nfs/dbraw/zinc/59/40/88/517594088.db2.gz VCIQYSMNHPUEKB-UHFFFAOYSA-N -1 1 363.420 2.726 20 5 FFBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(OC)c1Br ZINC000539412045 518035093 /nfs/dbraw/zinc/03/50/93/518035093.db2.gz JGXNXSSVNIKPLZ-UHFFFAOYSA-N -1 1 370.159 2.955 20 5 FFBDMM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000531080339 518128877 /nfs/dbraw/zinc/12/88/77/518128877.db2.gz YWJGTSOWDJZJNW-OAHLLOKOSA-N -1 1 363.801 2.987 20 5 FFBDMM O=C([O-])c1ccnc(N2CCCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000573210603 518558577 /nfs/dbraw/zinc/55/85/77/518558577.db2.gz OCSJWWWKBHCREB-UHFFFAOYSA-N -1 1 374.372 2.539 20 5 FFBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000573274566 518586446 /nfs/dbraw/zinc/58/64/46/518586446.db2.gz XUYJAUIKZMWWHN-UHFFFAOYSA-N -1 1 363.439 2.863 20 5 FFBDMM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000583643640 519357260 /nfs/dbraw/zinc/35/72/60/519357260.db2.gz RZANKPKRUSYZLP-LLVKDONJSA-N -1 1 370.394 2.890 20 5 FFBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CO2 ZINC000566713698 519619774 /nfs/dbraw/zinc/61/97/74/519619774.db2.gz CHQDFZOQMXNQBV-AWEZNQCLSA-N -1 1 362.407 2.932 20 5 FFBDMM CC(C)Oc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594756497 520137707 /nfs/dbraw/zinc/13/77/07/520137707.db2.gz YIJDUHAPJTWUNY-LBPRGKRZSA-N -1 1 365.411 2.817 20 5 FFBDMM C[C@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763717 520142084 /nfs/dbraw/zinc/14/20/84/520142084.db2.gz YPHMOCNIJDCHSO-ZUZCIYMTSA-N -1 1 365.386 2.731 20 5 FFBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000594857695 520192074 /nfs/dbraw/zinc/19/20/74/520192074.db2.gz OEGWEGIEWHYDCK-NSHDSACASA-N -1 1 354.762 2.962 20 5 FFBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000594857694 520192525 /nfs/dbraw/zinc/19/25/25/520192525.db2.gz OEGWEGIEWHYDCK-LLVKDONJSA-N -1 1 354.762 2.962 20 5 FFBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCCC1CCOCC1 ZINC000592381795 520359509 /nfs/dbraw/zinc/35/95/09/520359509.db2.gz FDQUFFLGEHNUNV-UHFFFAOYSA-N -1 1 372.443 2.690 20 5 FFBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600675923 520392338 /nfs/dbraw/zinc/39/23/38/520392338.db2.gz PNIHQILDXVWAOO-GHMZBOCLSA-N -1 1 360.370 2.718 20 5 FFBDMM Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(=O)[O-] ZINC000609733580 520415948 /nfs/dbraw/zinc/41/59/48/520415948.db2.gz LIGSMPBMUKDMPL-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(F)F ZINC000595351046 520421131 /nfs/dbraw/zinc/42/11/31/520421131.db2.gz MDXPAPWMHZKZFC-JTQLQIEISA-N -1 1 354.762 2.818 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000600839672 520494645 /nfs/dbraw/zinc/49/46/45/520494645.db2.gz XNXSNKHGVDORRS-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000610260335 520607624 /nfs/dbraw/zinc/60/76/24/520607624.db2.gz NYVILKCUDFUJRX-VIFPVBQESA-N -1 1 373.337 2.631 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000610266055 520612543 /nfs/dbraw/zinc/61/25/43/520612543.db2.gz JSJLFXOCVOGYPF-OWYVNGRQSA-N -1 1 374.846 2.730 20 5 FFBDMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618370097 521036532 /nfs/dbraw/zinc/03/65/32/521036532.db2.gz ZZKIUWIJHZFCJO-PBHICJAKSA-N -1 1 371.393 2.935 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000611253539 521060772 /nfs/dbraw/zinc/06/07/72/521060772.db2.gz IIPKFDLIBRGHTQ-AWEZNQCLSA-N -1 1 371.441 2.998 20 5 FFBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000593748923 521190410 /nfs/dbraw/zinc/19/04/10/521190410.db2.gz WVKKDBNJCANPOQ-CYBMUJFWSA-N -1 1 374.397 2.968 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000619865382 521910029 /nfs/dbraw/zinc/91/00/29/521910029.db2.gz PIJWWJZNNZSCKL-VIFPVBQESA-N -1 1 364.383 2.614 20 5 FFBDMM Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c(C(=O)[O-])[nH]1 ZINC000832898992 602318150 /nfs/dbraw/zinc/31/81/50/602318150.db2.gz AETIFJBDFFRULQ-UHFFFAOYSA-N -1 1 373.774 2.692 20 5 FFBDMM C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N2CCC[C@@H]2C)c1 ZINC000820716521 606417425 /nfs/dbraw/zinc/41/74/25/606417425.db2.gz JBFSVDGRBZLXDX-RYUDHWBXSA-N -1 1 357.418 2.752 20 5 FFBDMM C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N2CCC[C@@H]2C)c1 ZINC000820716521 606417426 /nfs/dbraw/zinc/41/74/26/606417426.db2.gz JBFSVDGRBZLXDX-RYUDHWBXSA-N -1 1 357.418 2.752 20 5 FFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1F ZINC000819984378 606703957 /nfs/dbraw/zinc/70/39/57/606703957.db2.gz UDKPYKIARDXCFC-UHFFFAOYSA-N -1 1 357.349 2.699 20 5 FFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1F ZINC000819984378 606703960 /nfs/dbraw/zinc/70/39/60/606703960.db2.gz UDKPYKIARDXCFC-UHFFFAOYSA-N -1 1 357.349 2.699 20 5 FFBDMM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152359334 728756822 /nfs/dbraw/zinc/75/68/22/728756822.db2.gz LBRDTIYMUPXEJV-SECBINFHSA-N -1 1 372.399 2.735 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154237945 728799385 /nfs/dbraw/zinc/79/93/85/728799385.db2.gz ATKIMZCVLUUCBV-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000159417574 728906728 /nfs/dbraw/zinc/90/67/28/728906728.db2.gz HEVZHDRYXKHUNG-CQSZACIVSA-N -1 1 370.814 2.569 20 5 FFBDMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc2o1 ZINC000023873769 727849339 /nfs/dbraw/zinc/84/93/39/727849339.db2.gz CFPBSQPHPFVLSU-UHFFFAOYSA-N -1 1 364.310 2.641 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101568217 728486412 /nfs/dbraw/zinc/48/64/12/728486412.db2.gz LJRLNFGVIJWHTK-UHFFFAOYSA-N -1 1 356.787 2.735 20 5 FFBDMM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111367767 728536066 /nfs/dbraw/zinc/53/60/66/728536066.db2.gz JOZRLHMLUMKWHB-BONVTDFDSA-N -1 1 350.371 2.946 20 5 FFBDMM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119473156 728595040 /nfs/dbraw/zinc/59/50/40/728595040.db2.gz CGKWRODQMUKKBI-AWEZNQCLSA-N -1 1 370.814 2.569 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccnc1Br ZINC000121372036 728625621 /nfs/dbraw/zinc/62/56/21/728625621.db2.gz HPGGXAJSQGMJFK-UHFFFAOYSA-N -1 1 372.200 2.862 20 5 FFBDMM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000125377505 728683001 /nfs/dbraw/zinc/68/30/01/728683001.db2.gz RRKFFZOJMASYRD-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000134493413 728730534 /nfs/dbraw/zinc/73/05/34/728730534.db2.gz GVGJUWZFQLXCBV-AWEZNQCLSA-N -1 1 370.814 2.569 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000170662265 728985801 /nfs/dbraw/zinc/98/58/01/728985801.db2.gz GJCOCKLMWJBTRN-GFCCVEGCSA-N -1 1 368.798 2.530 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000226824893 729548363 /nfs/dbraw/zinc/54/83/63/729548363.db2.gz FRZSHOLFEMESNJ-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM O=[N+]([O-])c1c(F)nccc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000882689232 733272408 /nfs/dbraw/zinc/27/24/08/733272408.db2.gz BDKNWKLMCULNNM-UHFFFAOYSA-N -1 1 366.780 2.810 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000725818225 734393208 /nfs/dbraw/zinc/39/32/08/734393208.db2.gz ZUAIDTOCPQNXEH-UHFFFAOYSA-N -1 1 351.167 2.973 20 5 FFBDMM Cc1csc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000725821343 734393494 /nfs/dbraw/zinc/39/34/94/734393494.db2.gz PQMSJNSVVCWJSX-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728994865 734553703 /nfs/dbraw/zinc/55/37/03/734553703.db2.gz ARTUTBVBMTWOGP-UHFFFAOYSA-N -1 1 374.371 2.524 20 5 FFBDMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000784418583 738889928 /nfs/dbraw/zinc/88/99/28/738889928.db2.gz QWDAQHJFAXFBKL-WDEREUQCSA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC12CCCC2 ZINC000908187239 736737240 /nfs/dbraw/zinc/73/72/40/736737240.db2.gz PNZXISUAZDACIA-GFCCVEGCSA-N -1 1 360.819 2.628 20 5 FFBDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000770715136 737657185 /nfs/dbraw/zinc/65/71/85/737657185.db2.gz BWLHQRUCLSGRFZ-SNVBAGLBSA-N -1 1 355.803 2.991 20 5 FFBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000770715135 737657242 /nfs/dbraw/zinc/65/72/42/737657242.db2.gz BWLHQRUCLSGRFZ-JTQLQIEISA-N -1 1 355.803 2.991 20 5 FFBDMM Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[n-]c(=O)c1C ZINC000776867712 738240032 /nfs/dbraw/zinc/24/00/32/738240032.db2.gz LFAWPTLJBJPCGA-UHFFFAOYSA-N -1 1 352.347 2.577 20 5 FFBDMM Cc1nc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000776867727 738240129 /nfs/dbraw/zinc/24/01/29/738240129.db2.gz LIYZKGURSDNMDB-UHFFFAOYSA-N -1 1 352.347 2.577 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000777936422 738332991 /nfs/dbraw/zinc/33/29/91/738332991.db2.gz ONBJHEODCZYHRA-UHFFFAOYSA-N -1 1 356.379 2.864 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1 ZINC000788718673 739276131 /nfs/dbraw/zinc/27/61/31/739276131.db2.gz OWPAGLMKWJZUIG-LSDHHAIUSA-N -1 1 370.452 2.693 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccn2)c1Cl ZINC000809384987 741304120 /nfs/dbraw/zinc/30/41/20/741304120.db2.gz LSNVLJBBKFNTOU-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809819613 741348057 /nfs/dbraw/zinc/34/80/57/741348057.db2.gz BLPIFIIZXZSKDR-HTQZYQBOSA-N -1 1 371.242 2.587 20 5 FFBDMM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842176 741352718 /nfs/dbraw/zinc/35/27/18/741352718.db2.gz BWYVEZOPXCZHSP-JQWIXIFHSA-N -1 1 366.798 2.623 20 5 FFBDMM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809847350 741353656 /nfs/dbraw/zinc/35/36/56/741353656.db2.gz QYKDYFDJPFIBPU-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM C=Cc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000812514650 741627969 /nfs/dbraw/zinc/62/79/69/741627969.db2.gz DGAZQVNAURQTBB-UHFFFAOYSA-N -1 1 350.371 2.898 20 5 FFBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016928 741883152 /nfs/dbraw/zinc/88/31/52/741883152.db2.gz RAUKMRAEDSEORA-ZETCQYMHSA-N -1 1 356.828 2.807 20 5 FFBDMM C[C@H]1CC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000815028862 741886189 /nfs/dbraw/zinc/88/61/89/741886189.db2.gz JGRXLOSCEJQYJL-YUMQZZPRSA-N -1 1 366.798 2.622 20 5 FFBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832690494 745742217 /nfs/dbraw/zinc/74/22/17/745742217.db2.gz IXJRGKRBGIJJIP-ZYHUDNBSSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)O1 ZINC000841536007 747388926 /nfs/dbraw/zinc/38/89/26/747388926.db2.gz YJNZFJLIOYTKHN-YUMQZZPRSA-N -1 1 369.226 2.747 20 5 FFBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ncc1Br ZINC000848254507 748887665 /nfs/dbraw/zinc/88/76/65/748887665.db2.gz MNYKVULUUPTMTO-UHFFFAOYSA-N -1 1 370.188 2.734 20 5 FFBDMM CC(C)c1cc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)on1 ZINC000848583154 748966047 /nfs/dbraw/zinc/96/60/47/748966047.db2.gz OQUUUMJRQGNLSW-UHFFFAOYSA-N -1 1 355.297 2.994 20 5 FFBDMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849419479 749144942 /nfs/dbraw/zinc/14/49/42/749144942.db2.gz NQMHTPRKOGYWQG-LBPRGKRZSA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000047670843 845148589 /nfs/dbraw/zinc/14/85/89/845148589.db2.gz IJXUMAOGYCWYCY-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCc2cc(F)ccc21 ZINC000826497282 948412147 /nfs/dbraw/zinc/41/21/47/948412147.db2.gz AVRAZUPEBXUFKH-ZDUSSCGKSA-N -1 1 355.333 2.799 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCc2cc(F)ccc21 ZINC000826497282 948412152 /nfs/dbraw/zinc/41/21/52/948412152.db2.gz AVRAZUPEBXUFKH-ZDUSSCGKSA-N -1 1 355.333 2.799 20 5 FFBDMM CCc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]nc1-c1ccncc1 ZINC000130448610 975632548 /nfs/dbraw/zinc/63/25/48/975632548.db2.gz OKLRGMVULPCHKE-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cn1 ZINC001212155968 984434465 /nfs/dbraw/zinc/43/44/65/984434465.db2.gz PUFUOPOBHGJTOW-UHFFFAOYSA-N -1 1 353.375 2.533 20 5 FFBDMM C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599928354 985253438 /nfs/dbraw/zinc/25/34/38/985253438.db2.gz GRYZONADEKAJGF-XPTSAGLGSA-N -1 1 357.204 2.900 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccnc(Cl)c1 ZINC001212498106 987777899 /nfs/dbraw/zinc/77/78/99/987777899.db2.gz XOHCHWJJYHLRPE-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM CC(C)(C)c1nc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])n[nH]1 ZINC001590542526 990174243 /nfs/dbraw/zinc/17/42/43/990174243.db2.gz YUKYIEHMWGZFSG-UHFFFAOYSA-N -1 1 353.766 2.974 20 5 FFBDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001593288239 994653868 /nfs/dbraw/zinc/65/38/68/994653868.db2.gz FURVKJAOEBZYDB-FTJNGKRUSA-N -1 1 362.407 2.881 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC001132765579 995121673 /nfs/dbraw/zinc/12/16/73/995121673.db2.gz UPHBSSGCYPZBDK-JTQLQIEISA-N -1 1 350.356 2.559 20 5 FFBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593738061 996343080 /nfs/dbraw/zinc/34/30/80/996343080.db2.gz OEVOJSYDGQELEI-MISXGVKJSA-N -1 1 360.370 2.748 20 5 FFBDMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001136819557 996785251 /nfs/dbraw/zinc/78/52/51/996785251.db2.gz RPGQHMMNVSNTMX-UHFFFAOYSA-N -1 1 374.744 2.593 20 5 FFBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])c(F)c1 ZINC000731519039 997979354 /nfs/dbraw/zinc/97/93/54/997979354.db2.gz OVALKZGRGVOZAL-UHFFFAOYSA-N -1 1 359.265 2.903 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1F ZINC000769049755 1000414167 /nfs/dbraw/zinc/41/41/67/1000414167.db2.gz VVYJGPUYYYVTOK-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ncccc2C)cc1F ZINC001195952631 1003626320 /nfs/dbraw/zinc/62/63/20/1003626320.db2.gz PCOXZAAOYPWMAC-NSHDSACASA-N -1 1 353.375 2.785 20 5 FFBDMM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001191347887 1003778446 /nfs/dbraw/zinc/77/84/46/1003778446.db2.gz MMIMQSIJCBUEEB-STQMWFEESA-N -1 1 358.464 2.696 20 5 FFBDMM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780070433 1019451827 /nfs/dbraw/zinc/45/18/27/1019451827.db2.gz XVKGEJSGMBKPQN-GFCCVEGCSA-N -1 1 372.377 2.897 20 5 FFBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C)C1 ZINC000780075291 1019595218 /nfs/dbraw/zinc/59/52/18/1019595218.db2.gz JPZUPIDZQSUINL-MLGOLLRUSA-N -1 1 364.398 2.740 20 5 FFBDMM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076638 1019619709 /nfs/dbraw/zinc/61/97/09/1019619709.db2.gz SHWVOLLSESBJKW-LBPRGKRZSA-N -1 1 366.370 2.857 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCCC1=CCCCC1 ZINC000780076207 1019642488 /nfs/dbraw/zinc/64/24/88/1019642488.db2.gz SSROJHCHGODVLL-GFCCVEGCSA-N -1 1 362.382 2.852 20 5 FFBDMM CC(C)[C@@H](NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780075891 1019651760 /nfs/dbraw/zinc/65/17/60/1019651760.db2.gz NJWPYGUQJPVPMQ-GOSISDBHSA-N -1 1 372.377 2.971 20 5 FFBDMM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000758344548 1024057753 /nfs/dbraw/zinc/05/77/53/1024057753.db2.gz JDNPNFNSAJRIBZ-CQSZACIVSA-N -1 1 355.350 2.872 20 5 FFBDMM COc1cccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1Br ZINC001212893105 1027199106 /nfs/dbraw/zinc/19/91/06/1027199106.db2.gz MJAIHVZOONMRIO-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM COc1cc(Br)cc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893048 1027199874 /nfs/dbraw/zinc/19/98/74/1027199874.db2.gz KDPAKAKOEJKUDL-UHFFFAOYSA-N -1 1 366.131 2.806 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(OC)nsc1OC ZINC001160555169 1027748656 /nfs/dbraw/zinc/74/86/56/1027748656.db2.gz COXUNQNWAJSKEZ-UHFFFAOYSA-N -1 1 353.356 2.720 20 5 FFBDMM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]2C ZINC001153999898 1028103558 /nfs/dbraw/zinc/10/35/58/1028103558.db2.gz OAEVWNSVIWVCOV-QWRGUYRKSA-N -1 1 357.366 2.852 20 5 FFBDMM Cc1c(Br)cccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001163678883 1029022177 /nfs/dbraw/zinc/02/21/77/1029022177.db2.gz YTMJYUIACKPNAN-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784214544 1030515656 /nfs/dbraw/zinc/51/56/56/1030515656.db2.gz KUQZRWWYOQTMHK-UHFFFAOYSA-N -1 1 374.740 2.892 20 5 FFBDMM CCOC(=O)[C@@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664505 1034360027 /nfs/dbraw/zinc/36/00/27/1034360027.db2.gz PMEKUZYSARHQQI-KGLIPLIRSA-N -1 1 360.322 2.530 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CC(C)(C)OC(C)(C)C1 ZINC001226308990 1034623156 /nfs/dbraw/zinc/62/31/56/1034623156.db2.gz BHFVDOIYSIAXGD-UHFFFAOYSA-N -1 1 368.386 2.987 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCc2ccccc2C1 ZINC001226310312 1034625254 /nfs/dbraw/zinc/62/52/54/1034625254.db2.gz PMBOVVUVSIYQEX-CYBMUJFWSA-N -1 1 358.350 2.808 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1ccncc1F ZINC001226309757 1034625360 /nfs/dbraw/zinc/62/53/60/1034625360.db2.gz IXVUPBNUTKAMLD-MRVPVSSYSA-N -1 1 351.290 2.546 20 5 FFBDMM CCOC(=O)[C@H]1CCC[C@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862500 1036369594 /nfs/dbraw/zinc/36/95/94/1036369594.db2.gz OCRCDQYPHKPLDG-IONNQARKSA-N -1 1 364.276 2.825 20 5 FFBDMM C[N@H+]1CCC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)CC1 ZINC001234122935 1036927286 /nfs/dbraw/zinc/92/72/86/1036927286.db2.gz CHAPHEWBGHVQPV-GFCCVEGCSA-N -1 1 371.389 2.926 20 5 FFBDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234555847 1037083831 /nfs/dbraw/zinc/08/38/31/1037083831.db2.gz YJBIENRUNXVGNT-ZDUSSCGKSA-N -1 1 373.365 2.547 20 5 FFBDMM COC(=O)[C@H]1C[C@@H](Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C1 ZINC001234745219 1037161822 /nfs/dbraw/zinc/16/18/22/1037161822.db2.gz SJMWRZDDUIDDOY-WVSHTKLVSA-N -1 1 356.330 2.688 20 5 FFBDMM COC(C[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-])OC ZINC001234874686 1037216908 /nfs/dbraw/zinc/21/69/08/1037216908.db2.gz AWKCMARLMINELO-SSDOTTSWSA-N -1 1 350.165 2.839 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 ZINC001231261140 1037516535 /nfs/dbraw/zinc/51/65/35/1037516535.db2.gz YYUPHBCMDBMDLX-UHFFFAOYSA-N -1 1 365.386 2.782 20 5 FFBDMM CCOC(=O)[C@H](C)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001231261171 1037516718 /nfs/dbraw/zinc/51/67/18/1037516718.db2.gz ZFYNWIOBGHKKPW-GMSGAONNSA-N -1 1 352.265 2.513 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)n1 ZINC001231260776 1037517152 /nfs/dbraw/zinc/51/71/52/1037517152.db2.gz XCHGQYMVBUPAMY-CMPLNLGQSA-N -1 1 371.365 2.730 20 5 FFBDMM CCOC(=O)[C@@H]1C[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001231263989 1037517384 /nfs/dbraw/zinc/51/73/84/1037517384.db2.gz ODUNZXJISAVELN-GJZGRUSLSA-N -1 1 374.349 2.838 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)cc1F ZINC001213212069 1040341189 /nfs/dbraw/zinc/34/11/89/1040341189.db2.gz ZWEAUZDUQWNJGH-LLVKDONJSA-N -1 1 352.334 2.612 20 5 FFBDMM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2c(F)ccc([N+](=O)[O-])c2F)c1 ZINC001215299408 1041728449 /nfs/dbraw/zinc/72/84/49/1041728449.db2.gz KZAJOCZITLVCND-UHFFFAOYSA-N -1 1 373.337 2.573 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)cc1F ZINC001309553274 1043431943 /nfs/dbraw/zinc/43/19/43/1043431943.db2.gz GOWNPSNRICZEHM-QFYYESIMSA-N -1 1 366.370 2.843 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCCS1 ZINC001309725860 1043498450 /nfs/dbraw/zinc/49/84/50/1043498450.db2.gz UPZJSJPXAYSJDH-JTQLQIEISA-N -1 1 350.849 2.812 20 5 FFBDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])OC1 ZINC001309805984 1043535175 /nfs/dbraw/zinc/53/51/75/1043535175.db2.gz MJXSSRVTQMNYFM-LLVKDONJSA-N -1 1 362.835 2.732 20 5 FFBDMM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC001325204280 1046415442 /nfs/dbraw/zinc/41/54/42/1046415442.db2.gz SAYDPJRUQYYKPN-SFYZADRCSA-N -1 1 369.226 2.747 20 5 FFBDMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC001309276429 1052590455 /nfs/dbraw/zinc/59/04/55/1052590455.db2.gz ZMRQKMJHWRSLEE-KBPBESRZSA-N -1 1 374.434 2.996 20 5 FFBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1n[n-]c(C(F)(F)F)n1 ZINC001339005630 1056007985 /nfs/dbraw/zinc/00/79/85/1056007985.db2.gz HYICFLSGEUIPJU-UHFFFAOYSA-N -1 1 367.646 2.705 20 5 FFBDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001452384494 1059215552 /nfs/dbraw/zinc/21/55/52/1059215552.db2.gz NHMZPQMAWVMTCZ-UHFFFAOYSA-N -1 1 350.277 2.630 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)[n-]c1Cl ZINC001462918114 1061840549 /nfs/dbraw/zinc/84/05/49/1061840549.db2.gz APHSFROMCKGTOU-UHFFFAOYSA-N -1 1 352.734 2.709 20 5 FFBDMM O=C(Nc1cccc([O-])c1Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001468252018 1063953136 /nfs/dbraw/zinc/95/31/36/1063953136.db2.gz IQFRRBYVPFZHBD-ZDUSSCGKSA-N -1 1 367.155 2.735 20 5 FFBDMM O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc([O-])c1F ZINC001471818592 1064803023 /nfs/dbraw/zinc/80/30/23/1064803023.db2.gz DQOHGFACRJWYIK-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001557323380 1075839169 /nfs/dbraw/zinc/83/91/69/1075839169.db2.gz VKLFNAXLXLNSJS-DJIMGWMZSA-N -1 1 369.377 2.830 20 5 FFBDMM O=C(NCc1ccc(Nc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001557712205 1075877520 /nfs/dbraw/zinc/87/75/20/1075877520.db2.gz ZEXAJKDNRVZDIR-UHFFFAOYSA-N -1 1 364.361 2.791 20 5 FFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(F)c2F)cc1OC ZINC001586660538 1079664067 /nfs/dbraw/zinc/66/40/67/1079664067.db2.gz NLHZGTMUWZZKCG-UHFFFAOYSA-N -1 1 353.281 2.928 20 5 FFBDMM C[C@@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001589200660 1080414697 /nfs/dbraw/zinc/41/46/97/1080414697.db2.gz ZBMGFFRAMCHRTI-OAHLLOKOSA-N -1 1 366.761 2.595 20 5 FFBDMM CC(C)Oc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589760665 1080713888 /nfs/dbraw/zinc/71/38/88/1080713888.db2.gz MCOLDPJBUSSWEG-UHFFFAOYSA-N -1 1 369.385 2.756 20 5 FFBDMM CC(C)Oc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589760665 1080713897 /nfs/dbraw/zinc/71/38/97/1080713897.db2.gz MCOLDPJBUSSWEG-UHFFFAOYSA-N -1 1 369.385 2.756 20 5 FFBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001590109450 1081020321 /nfs/dbraw/zinc/02/03/21/1081020321.db2.gz YPRKBMZGMULDCA-VIFPVBQESA-N -1 1 371.323 2.585 20 5 FFBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001590109450 1081020328 /nfs/dbraw/zinc/02/03/28/1081020328.db2.gz YPRKBMZGMULDCA-VIFPVBQESA-N -1 1 371.323 2.585 20 5 FFBDMM Cc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000116980902 250327006 /nfs/dbraw/zinc/32/70/06/250327006.db2.gz UMFXPZQKJJIENF-UHFFFAOYSA-N -1 1 357.366 2.687 20 5 FFBDMM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290714349 257354129 /nfs/dbraw/zinc/35/41/29/257354129.db2.gz OQNRSIXLVZKTTE-LLVKDONJSA-N -1 1 373.331 2.692 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000295508042 257635292 /nfs/dbraw/zinc/63/52/92/257635292.db2.gz FFXRMTBYSVOBRF-CYBMUJFWSA-N -1 1 363.757 2.642 20 5 FFBDMM CN(C)c1ccc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000377288695 512202402 /nfs/dbraw/zinc/20/24/02/512202402.db2.gz HSOFZSAULPZBCL-UHFFFAOYSA-N -1 1 370.409 2.781 20 5 FFBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000053671577 506427011 /nfs/dbraw/zinc/42/70/11/506427011.db2.gz PMAPESIHLRHGKT-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000067078539 506750222 /nfs/dbraw/zinc/75/02/22/506750222.db2.gz ZPVXTMCFJOUAPX-UHFFFAOYSA-N -1 1 367.818 2.810 20 5 FFBDMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063311339 507716856 /nfs/dbraw/zinc/71/68/56/507716856.db2.gz YLHMKJNUXGLUAL-UHFFFAOYSA-N -1 1 370.452 2.921 20 5 FFBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029388443 507776437 /nfs/dbraw/zinc/77/64/37/507776437.db2.gz LVUCXTDXWQVWQV-UHFFFAOYSA-N -1 1 356.264 2.558 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccc(C)o1 ZINC000080789087 508103395 /nfs/dbraw/zinc/10/33/95/508103395.db2.gz SBDGBMJBEIFJTJ-CQSZACIVSA-N -1 1 368.411 2.779 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154359668 508767384 /nfs/dbraw/zinc/76/73/84/508767384.db2.gz WICGWOHDQIRVFH-BYCMXARLSA-N -1 1 364.810 2.865 20 5 FFBDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000159886578 508906725 /nfs/dbraw/zinc/90/67/25/508906725.db2.gz XNJHANCBWUDGQR-MRVPVSSYSA-N -1 1 373.818 2.763 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCS1 ZINC000126223404 509072785 /nfs/dbraw/zinc/07/27/85/509072785.db2.gz GGMSCRBOKNPDCF-LBPRGKRZSA-N -1 1 350.849 2.812 20 5 FFBDMM COc1ccc([N-]C(=O)c2cnc(-c3ncccn3)s2)c([N+](=O)[O-])c1 ZINC000121475163 509175785 /nfs/dbraw/zinc/17/57/85/509175785.db2.gz CGUFEWTUUFCUOQ-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000185791646 509357335 /nfs/dbraw/zinc/35/73/35/509357335.db2.gz AXLRYSHZWAUATE-ZIAGYGMSSA-N -1 1 351.403 2.751 20 5 FFBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2CC2)s1 ZINC000173488781 509632457 /nfs/dbraw/zinc/63/24/57/509632457.db2.gz JUHOIIONZMIKFP-CYBMUJFWSA-N -1 1 371.415 2.928 20 5 FFBDMM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193463494 509925044 /nfs/dbraw/zinc/92/50/44/509925044.db2.gz OMJPPBFLMYUQKU-BBRMVZONSA-N -1 1 357.366 2.593 20 5 FFBDMM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194739246 510503704 /nfs/dbraw/zinc/50/37/04/510503704.db2.gz BTRGKSROJJIRKP-AWEZNQCLSA-N -1 1 361.423 2.929 20 5 FFBDMM CCc1cc(=O)[n-]c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000195074111 510660168 /nfs/dbraw/zinc/66/01/68/510660168.db2.gz HTDRYKJCHQHYQU-UHFFFAOYSA-N -1 1 359.367 2.583 20 5 FFBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000291986892 511419029 /nfs/dbraw/zinc/41/90/29/511419029.db2.gz SOIMFQZTORHAEE-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM COCCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295656723 511473608 /nfs/dbraw/zinc/47/36/08/511473608.db2.gz IACCBXSXYCSUJW-UHFFFAOYSA-N -1 1 371.242 2.997 20 5 FFBDMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000374400844 512814842 /nfs/dbraw/zinc/81/48/42/512814842.db2.gz KPWHIRGSWMDVTL-QGZVFWFLSA-N -1 1 363.320 2.854 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000416416669 513761368 /nfs/dbraw/zinc/76/13/68/513761368.db2.gz WHQKORJVTGEKCG-UHFFFAOYSA-N -1 1 366.239 2.844 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC1CC1 ZINC000416590772 513853291 /nfs/dbraw/zinc/85/32/91/513853291.db2.gz HHHKXMWPOGOXHF-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443266586 513915362 /nfs/dbraw/zinc/91/53/62/513915362.db2.gz ILKVEZFPGOFALI-UHFFFAOYSA-N -1 1 370.814 2.865 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])n1 ZINC000436809558 513990290 /nfs/dbraw/zinc/99/02/90/513990290.db2.gz UHMFISMOKJAMJF-UHFFFAOYSA-N -1 1 360.248 2.668 20 5 FFBDMM CCCc1ccc(-c2cc(=NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[nH][nH]2)cc1 ZINC000445183788 514437576 /nfs/dbraw/zinc/43/75/76/514437576.db2.gz OHTUJQBYTSSHOE-UHFFFAOYSA-N -1 1 367.365 2.712 20 5 FFBDMM CCC(CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488855986 514610517 /nfs/dbraw/zinc/61/05/17/514610517.db2.gz JSFMNSCTWVMTPS-UHFFFAOYSA-N -1 1 351.222 2.824 20 5 FFBDMM CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000471120089 514760797 /nfs/dbraw/zinc/76/07/97/514760797.db2.gz DPWQXINGBOKORV-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471132984 514764267 /nfs/dbraw/zinc/76/42/67/514764267.db2.gz IDDOXLNITMHBSI-UHFFFAOYSA-N -1 1 350.352 2.656 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000484978838 514863080 /nfs/dbraw/zinc/86/30/80/514863080.db2.gz VTRNMOBCQSGUQL-UHFFFAOYSA-N -1 1 362.289 2.812 20 5 FFBDMM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1[nH]cnc1C(=O)c1ccccc1 ZINC000504239293 515251172 /nfs/dbraw/zinc/25/11/72/515251172.db2.gz LBVISIUSKWSJOY-UHFFFAOYSA-N -1 1 352.306 2.507 20 5 FFBDMM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499270655 515262630 /nfs/dbraw/zinc/26/26/30/515262630.db2.gz GCMRVVQUDVILBF-UHFFFAOYSA-N -1 1 374.321 2.696 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1 ZINC000506199715 515814207 /nfs/dbraw/zinc/81/42/07/515814207.db2.gz RUVSBWVNOYWKLJ-LLVKDONJSA-N -1 1 370.814 2.994 20 5 FFBDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000506586003 515924458 /nfs/dbraw/zinc/92/44/58/515924458.db2.gz WGCVZUBCIKSOMK-UHFFFAOYSA-N -1 1 364.379 2.501 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479242104 516124705 /nfs/dbraw/zinc/12/47/05/516124705.db2.gz JQSZVRWCDOGTDT-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000536459514 516773103 /nfs/dbraw/zinc/77/31/03/516773103.db2.gz MZOZXDDPQILEFQ-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000536700813 516899192 /nfs/dbraw/zinc/89/91/92/516899192.db2.gz AZMHXMCJUJRVBU-UHFFFAOYSA-N -1 1 350.396 2.893 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CC1 ZINC000525175588 516944970 /nfs/dbraw/zinc/94/49/70/516944970.db2.gz HLEAAUVAYPEJHX-UHFFFAOYSA-N -1 1 367.814 2.653 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)ccc1[O-] ZINC000525368827 517021146 /nfs/dbraw/zinc/02/11/46/517021146.db2.gz AYYIMQDZEVJLSM-UHFFFAOYSA-N -1 1 364.379 2.890 20 5 FFBDMM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702276 517124501 /nfs/dbraw/zinc/12/45/01/517124501.db2.gz JCAULAARJKOYOU-ZDUSSCGKSA-N -1 1 369.830 2.943 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])n1 ZINC000532853827 517167198 /nfs/dbraw/zinc/16/71/98/517167198.db2.gz NUTAFGOVDQFUGX-OAHLLOKOSA-N -1 1 364.427 2.631 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2C)C(C)C)c([N+](=O)[O-])n1 ZINC000532854810 517169261 /nfs/dbraw/zinc/16/92/61/517169261.db2.gz XMEUYLGAWLGSKA-OAHLLOKOSA-N -1 1 366.443 2.795 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)[nH]1 ZINC000559841310 517449534 /nfs/dbraw/zinc/44/95/34/517449534.db2.gz WGUPCEBYCGJQAE-UHFFFAOYSA-N -1 1 370.696 2.791 20 5 FFBDMM CCCCC1CCC([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000533634729 517553818 /nfs/dbraw/zinc/55/38/18/517553818.db2.gz MWJRIIXHZSKSKN-UHFFFAOYSA-N -1 1 358.464 2.839 20 5 FFBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000516137963 517581911 /nfs/dbraw/zinc/58/19/11/517581911.db2.gz KNEXCEDFECMKBP-UHFFFAOYSA-N -1 1 350.356 2.725 20 5 FFBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000553570542 517788399 /nfs/dbraw/zinc/78/83/99/517788399.db2.gz YIJRLVOFHFRGDH-ANRSDYALSA-N -1 1 370.333 2.674 20 5 FFBDMM O=c1[n-]nc([C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)o1 ZINC000585701954 518566019 /nfs/dbraw/zinc/56/60/19/518566019.db2.gz APCFJJZNMYKPSM-MRVPVSSYSA-N -1 1 369.175 2.830 20 5 FFBDMM CC[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000567977538 518810980 /nfs/dbraw/zinc/81/09/80/518810980.db2.gz CORSCJBIAKXIGE-HNNXBMFYSA-N -1 1 370.409 2.789 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594472828 519983321 /nfs/dbraw/zinc/98/33/21/519983321.db2.gz GKMPTUPSAJITOM-KBPBESRZSA-N -1 1 374.846 2.874 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000594803050 520165722 /nfs/dbraw/zinc/16/57/22/520165722.db2.gz KWRMPXBVUBZQRI-PRHODGIISA-N -1 1 361.217 2.578 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000594858170 520194419 /nfs/dbraw/zinc/19/44/19/520194419.db2.gz RBPZVCNBUVKSCB-SNVBAGLBSA-N -1 1 363.233 2.824 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1[nH]nc(C(C)C)c1C ZINC000592385257 520363019 /nfs/dbraw/zinc/36/30/19/520363019.db2.gz ZCGAKINPQSLBDH-UHFFFAOYSA-N -1 1 354.388 2.559 20 5 FFBDMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]2CCC[C@H]21 ZINC000600676856 520391712 /nfs/dbraw/zinc/39/17/12/520391712.db2.gz YYPMUUQQLZQTLG-ZNMIVQPWSA-N -1 1 372.381 2.720 20 5 FFBDMM O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604038067 520433570 /nfs/dbraw/zinc/43/35/70/520433570.db2.gz BXDLHTAFVXHEOT-UHFFFAOYSA-N -1 1 350.762 2.665 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600831700 520493486 /nfs/dbraw/zinc/49/34/86/520493486.db2.gz PQXZGCBLNJUJKZ-LLVKDONJSA-N -1 1 363.320 2.993 20 5 FFBDMM COc1cccc([C@@]2(C)CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000598226098 520506580 /nfs/dbraw/zinc/50/65/80/520506580.db2.gz RURVLKHJAFNWTP-SFHVURJKSA-N -1 1 357.366 2.508 20 5 FFBDMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610261956 520609911 /nfs/dbraw/zinc/60/99/11/520609911.db2.gz DJGBSFZSWVZGDK-UHFFFAOYSA-N -1 1 365.411 2.646 20 5 FFBDMM COc1cc(CN2CCC[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000610896996 520897959 /nfs/dbraw/zinc/89/79/59/520897959.db2.gz PTMFBXKDEISFOZ-SNVBAGLBSA-N -1 1 374.340 2.892 20 5 FFBDMM COc1cc(CN2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000593750518 521192346 /nfs/dbraw/zinc/19/23/46/521192346.db2.gz ITIQQLIKHNUTSR-OAHLLOKOSA-N -1 1 360.313 2.501 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000593751809 521192728 /nfs/dbraw/zinc/19/27/28/521192728.db2.gz JPTBKIQCDOOAPK-LBPRGKRZSA-N -1 1 360.370 2.722 20 5 FFBDMM CCC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599433605 521222448 /nfs/dbraw/zinc/22/24/48/521222448.db2.gz ITASJDAJTLRWQS-UHFFFAOYSA-N -1 1 373.175 2.681 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000619499198 521598068 /nfs/dbraw/zinc/59/80/68/521598068.db2.gz NWQPOXUTQCFKKX-UHFFFAOYSA-N -1 1 372.349 2.674 20 5 FFBDMM O=C([O-])[C@@H]1CC12CCN(Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000739536558 600281526 /nfs/dbraw/zinc/28/15/26/600281526.db2.gz NIPLPZRDLQRWPM-INIZCTEOSA-N -1 1 356.382 2.603 20 5 FFBDMM COc1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1F ZINC000826193005 607450353 /nfs/dbraw/zinc/45/03/53/607450353.db2.gz LPVCWMLWHFFYHH-UHFFFAOYSA-N -1 1 358.333 2.559 20 5 FFBDMM COc1ccc(CN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1F ZINC000826193005 607450355 /nfs/dbraw/zinc/45/03/55/607450355.db2.gz LPVCWMLWHFFYHH-UHFFFAOYSA-N -1 1 358.333 2.559 20 5 FFBDMM O=C([O-])c1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833301334 600889657 /nfs/dbraw/zinc/88/96/57/600889657.db2.gz XKMGIVGUACPPMJ-UHFFFAOYSA-N -1 1 352.306 2.935 20 5 FFBDMM Cc1cc(NCc2n[nH]c(-c3ccccc3)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898168 602316281 /nfs/dbraw/zinc/31/62/81/602316281.db2.gz DIEJRMRNIMCNIS-UHFFFAOYSA-N -1 1 353.338 2.999 20 5 FFBDMM Cc1cc(NCc2nc(-c3ccccc3)n[nH]2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898168 602316284 /nfs/dbraw/zinc/31/62/84/602316284.db2.gz DIEJRMRNIMCNIS-UHFFFAOYSA-N -1 1 353.338 2.999 20 5 FFBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826498422 607636224 /nfs/dbraw/zinc/63/62/24/607636224.db2.gz UEWSTIHXOBIATF-CQSZACIVSA-N -1 1 350.382 2.986 20 5 FFBDMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820921622 606588328 /nfs/dbraw/zinc/58/83/28/606588328.db2.gz ZWTHIZXCLLZFPU-NSHDSACASA-N -1 1 358.383 2.718 20 5 FFBDMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc([N+](=O)[O-])c1 ZINC000820921622 606588329 /nfs/dbraw/zinc/58/83/29/606588329.db2.gz ZWTHIZXCLLZFPU-NSHDSACASA-N -1 1 358.383 2.718 20 5 FFBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000820767127 606645506 /nfs/dbraw/zinc/64/55/06/606645506.db2.gz GKTCOXQEVQFTTB-PXAZEXFGSA-N -1 1 366.381 2.741 20 5 FFBDMM Cc1ccc(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822227756 606706793 /nfs/dbraw/zinc/70/67/93/606706793.db2.gz UUNPVMBQSARSAF-UHFFFAOYSA-N -1 1 353.386 2.868 20 5 FFBDMM Cc1ccc(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822227756 606706795 /nfs/dbraw/zinc/70/67/95/606706795.db2.gz UUNPVMBQSARSAF-UHFFFAOYSA-N -1 1 353.386 2.868 20 5 FFBDMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820668456 606711963 /nfs/dbraw/zinc/71/19/63/606711963.db2.gz SSWAJNBMHKNYTB-JQWIXIFHSA-N -1 1 369.360 2.691 20 5 FFBDMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820668456 606711965 /nfs/dbraw/zinc/71/19/65/606711965.db2.gz SSWAJNBMHKNYTB-JQWIXIFHSA-N -1 1 369.360 2.691 20 5 FFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820280615 606713136 /nfs/dbraw/zinc/71/31/36/606713136.db2.gz KQWLVDUYFDSLJW-QMMMGPOBSA-N -1 1 361.312 2.664 20 5 FFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000820280615 606713138 /nfs/dbraw/zinc/71/31/38/606713138.db2.gz KQWLVDUYFDSLJW-QMMMGPOBSA-N -1 1 361.312 2.664 20 5 FFBDMM CCC(CC)[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000825106537 609322430 /nfs/dbraw/zinc/32/24/30/609322430.db2.gz FVRSIHODOSIERN-AAEUAGOBSA-N -1 1 361.406 2.566 20 5 FFBDMM CCC(CC)[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000825106537 609322432 /nfs/dbraw/zinc/32/24/32/609322432.db2.gz FVRSIHODOSIERN-AAEUAGOBSA-N -1 1 361.406 2.566 20 5 FFBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000015634613 727820884 /nfs/dbraw/zinc/82/08/84/727820884.db2.gz VUESSAMTNCZZNJ-UHFFFAOYSA-N -1 1 363.233 2.626 20 5 FFBDMM COCc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101572173 728486683 /nfs/dbraw/zinc/48/66/83/728486683.db2.gz QBJVWXNUQICTEU-UHFFFAOYSA-N -1 1 370.814 2.873 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000119932432 728602705 /nfs/dbraw/zinc/60/27/05/728602705.db2.gz RIAOVKRAQCMSKF-LBPRGKRZSA-N -1 1 371.396 2.994 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000119932576 728602737 /nfs/dbraw/zinc/60/27/37/728602737.db2.gz RIAOVKRAQCMSKF-GFCCVEGCSA-N -1 1 371.396 2.994 20 5 FFBDMM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120334485 728609737 /nfs/dbraw/zinc/60/97/37/728609737.db2.gz LMJMYTKXJKSVRB-JTQLQIEISA-N -1 1 372.472 2.956 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000194068580 729498755 /nfs/dbraw/zinc/49/87/55/729498755.db2.gz QXMIRWSLDCRHAX-UHFFFAOYSA-N -1 1 367.814 2.653 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000734003355 734866842 /nfs/dbraw/zinc/86/68/42/734866842.db2.gz LEIILRSSRULCJJ-UHFFFAOYSA-N -1 1 350.327 2.959 20 5 FFBDMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000736344349 734982853 /nfs/dbraw/zinc/98/28/53/734982853.db2.gz IEROQFSCUBAVSW-NSHDSACASA-N -1 1 350.824 2.732 20 5 FFBDMM C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000901542137 735793112 /nfs/dbraw/zinc/79/31/12/735793112.db2.gz GRYZONADEKAJGF-YMTOWFKASA-N -1 1 357.204 2.900 20 5 FFBDMM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751249222 735857695 /nfs/dbraw/zinc/85/76/95/735857695.db2.gz NLOYLLNKZSZLPZ-SNVBAGLBSA-N -1 1 370.814 2.863 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C2CC2)c1C ZINC000760320920 736629588 /nfs/dbraw/zinc/62/95/88/736629588.db2.gz FJFSXBZQADGQAL-UHFFFAOYSA-N -1 1 350.400 2.867 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1F ZINC000761908354 736770111 /nfs/dbraw/zinc/77/01/11/736770111.db2.gz VJZQCDKKPMZEEL-UHFFFAOYSA-N -1 1 356.379 2.864 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000767300819 737312294 /nfs/dbraw/zinc/31/22/94/737312294.db2.gz NRBPPDUPZIODHU-GJZGRUSLSA-N -1 1 374.846 2.732 20 5 FFBDMM O=C([O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768883800 737471797 /nfs/dbraw/zinc/47/17/97/737471797.db2.gz YLDYNPLEPDQWKO-UHFFFAOYSA-N -1 1 362.772 2.809 20 5 FFBDMM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000918148167 737795365 /nfs/dbraw/zinc/79/53/65/737795365.db2.gz TURUKQHMGPKBGC-UHFFFAOYSA-N -1 1 356.306 2.529 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCOC2)cc1F ZINC000921849901 738055451 /nfs/dbraw/zinc/05/54/51/738055451.db2.gz XDCNTUYCEITQOZ-WBMJQRKESA-N -1 1 372.418 2.526 20 5 FFBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923246836 738260409 /nfs/dbraw/zinc/26/04/09/738260409.db2.gz BPMBFDHMBWNTBN-MWLCHTKSSA-N -1 1 357.204 2.900 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000777590666 738303692 /nfs/dbraw/zinc/30/36/92/738303692.db2.gz HKGFHSDNFOZZEF-UHFFFAOYSA-N -1 1 351.340 2.574 20 5 FFBDMM O=C(c1c([O-])cccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787593903 739149627 /nfs/dbraw/zinc/14/96/27/739149627.db2.gz VFRKRLGOBPYAEG-UHFFFAOYSA-N -1 1 350.762 2.628 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccncc2)c(Cl)cc1Cl ZINC000791411065 739560222 /nfs/dbraw/zinc/56/02/22/739560222.db2.gz HSTXBCWJJYAAQL-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791423722 739562595 /nfs/dbraw/zinc/56/25/95/739562595.db2.gz ZRXQGTHZPJZEGH-LLVKDONJSA-N -1 1 371.242 2.587 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000795241827 739988465 /nfs/dbraw/zinc/98/84/65/739988465.db2.gz PSBMHCGPYBJQHP-UHFFFAOYSA-N -1 1 373.175 2.679 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795380692 740013678 /nfs/dbraw/zinc/01/36/78/740013678.db2.gz MSESIVNKTKINNH-SECBINFHSA-N -1 1 370.358 2.597 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000800052461 740479165 /nfs/dbraw/zinc/47/91/65/740479165.db2.gz XQBNCIVWIAAWOE-UHFFFAOYSA-N -1 1 368.342 2.614 20 5 FFBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C ZINC000800928025 740566988 /nfs/dbraw/zinc/56/69/88/740566988.db2.gz FVMWJGQKBQJFNH-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809831478 741350761 /nfs/dbraw/zinc/35/07/61/741350761.db2.gz XGHLFNJGBIDUPN-UHFFFAOYSA-N -1 1 368.814 2.728 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000814975620 741877408 /nfs/dbraw/zinc/87/74/08/741877408.db2.gz NLSCCBKVJDHNHQ-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM COC1(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815055017 741891541 /nfs/dbraw/zinc/89/15/41/741891541.db2.gz RQJVRQSLYORKFI-UHFFFAOYSA-N -1 1 366.798 2.625 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(Cl)cc1Cl ZINC000819926067 742445655 /nfs/dbraw/zinc/44/56/55/742445655.db2.gz PTKITRCOWPIDDQ-RNLVFQAGSA-N -1 1 351.211 2.978 20 5 FFBDMM C[C@@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000825448395 743272669 /nfs/dbraw/zinc/27/26/69/743272669.db2.gz FASIVYRYDNYFOJ-SNVBAGLBSA-N -1 1 365.367 2.724 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1[N+](=O)[O-] ZINC000829774475 745258104 /nfs/dbraw/zinc/25/81/04/745258104.db2.gz GFHQZHNXBBLRGF-UHFFFAOYSA-N -1 1 364.379 2.945 20 5 FFBDMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830633635 745395548 /nfs/dbraw/zinc/39/55/48/745395548.db2.gz UKIAISFBLQFYKV-LBPRGKRZSA-N -1 1 371.242 2.731 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)(C)O ZINC000831637663 745558499 /nfs/dbraw/zinc/55/84/99/745558499.db2.gz RLAISEBUXMPMBU-VIFPVBQESA-N -1 1 371.242 2.729 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000832180861 745652415 /nfs/dbraw/zinc/65/24/15/745652415.db2.gz VWPKTRUBSFTACN-MRVPVSSYSA-N -1 1 354.762 2.962 20 5 FFBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832285028 745671324 /nfs/dbraw/zinc/67/13/24/745671324.db2.gz SMGRRRWVQHMJKH-PSASIEDQSA-N -1 1 369.226 2.747 20 5 FFBDMM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841533606 747387997 /nfs/dbraw/zinc/38/79/97/747387997.db2.gz MTZQLSQLOULLTA-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)O1 ZINC000841535924 747388944 /nfs/dbraw/zinc/38/89/44/747388944.db2.gz XAEUZXLMFOXRKX-HTQZYQBOSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000057119938 845364746 /nfs/dbraw/zinc/36/47/46/845364746.db2.gz ZPASJYABCKFCPU-UHFFFAOYSA-N -1 1 360.347 2.810 20 5 FFBDMM CC(C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Nc1ccccc1 ZINC000820020427 945331458 /nfs/dbraw/zinc/33/14/58/945331458.db2.gz GGVWPLBVWBVYAG-AWEZNQCLSA-N -1 1 368.401 2.719 20 5 FFBDMM CC(C)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Nc1ccccc1 ZINC000820020427 945331467 /nfs/dbraw/zinc/33/14/67/945331467.db2.gz GGVWPLBVWBVYAG-AWEZNQCLSA-N -1 1 368.401 2.719 20 5 FFBDMM CCOc1ccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821417820 945690841 /nfs/dbraw/zinc/69/08/41/945690841.db2.gz SXEJGTXKMKAOKR-SNVBAGLBSA-N -1 1 355.358 2.742 20 5 FFBDMM CCOc1ccc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821417820 945690845 /nfs/dbraw/zinc/69/08/45/945690845.db2.gz SXEJGTXKMKAOKR-SNVBAGLBSA-N -1 1 355.358 2.742 20 5 FFBDMM C[C@H](CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1)C(=O)[O-] ZINC001592592712 978521343 /nfs/dbraw/zinc/52/13/43/978521343.db2.gz PNGVDIDZUTYRKM-CQSZACIVSA-N -1 1 371.393 2.756 20 5 FFBDMM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1CC(=O)[O-] ZINC001599866322 989266244 /nfs/dbraw/zinc/26/62/44/989266244.db2.gz AONMTFOFQSQXEN-MWLCHTKSSA-N -1 1 357.204 2.900 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599622391 994101857 /nfs/dbraw/zinc/10/18/57/994101857.db2.gz JZBUHLXVUVPSOA-JTQLQIEISA-N -1 1 363.395 2.748 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ncccc2C)cc1F ZINC001195952629 1003626176 /nfs/dbraw/zinc/62/61/76/1003626176.db2.gz PCOXZAAOYPWMAC-LLVKDONJSA-N -1 1 353.375 2.785 20 5 FFBDMM O=C1[C@@H]([N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1Cc1ccc(F)cc1 ZINC000804648959 1003757727 /nfs/dbraw/zinc/75/77/27/1003757727.db2.gz PJRUWRAPUSIAOW-ZDUSSCGKSA-N -1 1 374.328 2.855 20 5 FFBDMM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001191643078 1003913331 /nfs/dbraw/zinc/91/33/31/1003913331.db2.gz BQKOYCOLWUDLMI-SECBINFHSA-N -1 1 371.440 2.662 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)cc1F ZINC001195771697 1005034991 /nfs/dbraw/zinc/03/49/91/1005034991.db2.gz BGTSTIUJHJMGTQ-INIZCTEOSA-N -1 1 365.386 2.867 20 5 FFBDMM CCOC(=O)c1nc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)[n-]c1Cl ZINC001133884691 1006007213 /nfs/dbraw/zinc/00/72/13/1006007213.db2.gz BUVWCOBJILULFF-UHFFFAOYSA-N -1 1 374.687 2.679 20 5 FFBDMM C[C@@H]1CN(CCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000818322954 1007901710 /nfs/dbraw/zinc/90/17/10/1007901710.db2.gz UAKXNXVHHNFTEA-CCSSQEOUSA-N -1 1 363.414 2.604 20 5 FFBDMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000801364768 1018890510 /nfs/dbraw/zinc/89/05/10/1018890510.db2.gz FGMHWFWUEIHWMP-UHFFFAOYSA-N -1 1 369.333 2.852 20 5 FFBDMM CCN(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074125 1019559984 /nfs/dbraw/zinc/55/99/84/1019559984.db2.gz HAXDWUYLIJMUSC-UHFFFAOYSA-N -1 1 358.350 2.506 20 5 FFBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C)C1 ZINC000780075286 1019592390 /nfs/dbraw/zinc/59/23/90/1019592390.db2.gz JPZUPIDZQSUINL-LRDDRELGSA-N -1 1 364.398 2.740 20 5 FFBDMM CC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC)cc1 ZINC000780075086 1019594973 /nfs/dbraw/zinc/59/49/73/1019594973.db2.gz IZKTYDXIDDLIJM-INIZCTEOSA-N -1 1 374.349 2.883 20 5 FFBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000780075000 1019627630 /nfs/dbraw/zinc/62/76/30/1019627630.db2.gz IFZYTQAMSBAAGX-MRXNPFEDSA-N -1 1 364.398 2.931 20 5 FFBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC3CCC(O)CC3)c12 ZINC001218370248 1033126425 /nfs/dbraw/zinc/12/64/25/1033126425.db2.gz RLBAGZUAGHAUMT-UHFFFAOYSA-N -1 1 358.346 2.745 20 5 FFBDMM COc1cccc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000192557476 1024219589 /nfs/dbraw/zinc/21/95/89/1024219589.db2.gz ZGNWXRFRFJCNCZ-UHFFFAOYSA-N -1 1 353.338 2.949 20 5 FFBDMM O=[N+]([O-])c1cc(Cl)cnc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001157156746 1029484250 /nfs/dbraw/zinc/48/42/50/1029484250.db2.gz ONNYQRPNLJBAMJ-UHFFFAOYSA-N -1 1 369.701 2.728 20 5 FFBDMM O=C([N-]C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1)C(F)(F)F ZINC001166895227 1030567044 /nfs/dbraw/zinc/56/70/44/1030567044.db2.gz OENPETFYGSTOLV-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM COc1cnc(=S)[n-]c1O[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226243180 1034589649 /nfs/dbraw/zinc/58/96/49/1034589649.db2.gz YJCUYGZVTBTJNL-ZETCQYMHSA-N -1 1 351.340 2.551 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCCOC3=O)c([N+](=O)[O-])c2)cc1 ZINC001227702198 1035684771 /nfs/dbraw/zinc/68/47/71/1035684771.db2.gz NZIDDUZBRGEXMN-MRXNPFEDSA-N -1 1 371.345 2.924 20 5 FFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC[C@H]1COc2ccccc2O1 ZINC001228861920 1036367465 /nfs/dbraw/zinc/36/74/65/1036367465.db2.gz JJBFHCSNPOKGPV-MRVPVSSYSA-N -1 1 372.255 2.933 20 5 FFBDMM O=c1ccc2c(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc([O-])cc2o1 ZINC001229136755 1036516971 /nfs/dbraw/zinc/51/69/71/1036516971.db2.gz ZVURXSGGWSYNSZ-QGZVFWFLSA-N -1 1 371.301 2.624 20 5 FFBDMM CCOC(=O)[C@@H](CC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124759 1036928872 /nfs/dbraw/zinc/92/88/72/1036928872.db2.gz KSPOBQKTPWSXFU-GFCCVEGCSA-N -1 1 374.345 2.784 20 5 FFBDMM O=c1c2ccc(O)c(O[C@@H]3CCOC[C@@H]3F)c2oc2cc([O-])cc(O)c12 ZINC001234749182 1037167202 /nfs/dbraw/zinc/16/72/02/1037167202.db2.gz MLMGXXOTCSRHLQ-GXFFZTMASA-N -1 1 362.309 2.569 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001231265077 1037518777 /nfs/dbraw/zinc/51/87/77/1037518777.db2.gz WTLWEGZHTBXNGL-UHFFFAOYSA-N -1 1 374.353 2.960 20 5 FFBDMM Nc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(I)c1 ZINC001210396717 1039521515 /nfs/dbraw/zinc/52/15/15/1039521515.db2.gz XKUBIYYZWJUSPG-UHFFFAOYSA-N -1 1 372.122 2.626 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1[N+](=O)[O-] ZINC001213886249 1041025375 /nfs/dbraw/zinc/02/53/75/1041025375.db2.gz LLMZGPDCZUSPHB-SECBINFHSA-N -1 1 373.793 2.864 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCC3(CCC3)O2)cc1F ZINC001309887187 1043572914 /nfs/dbraw/zinc/57/29/14/1043572914.db2.gz LJZKQCIAEOYFMM-LBPRGKRZSA-N -1 1 372.418 2.812 20 5 FFBDMM CSc1nc(C)c(CCC(=O)OCc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001318032577 1045196594 /nfs/dbraw/zinc/19/65/94/1045196594.db2.gz IFXUFFARXZMDSZ-UHFFFAOYSA-N -1 1 363.395 2.797 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001319831726 1045280867 /nfs/dbraw/zinc/28/08/67/1045280867.db2.gz HRYKWURDLJXNSM-UHFFFAOYSA-N -1 1 359.334 2.971 20 5 FFBDMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001303199958 1051301444 /nfs/dbraw/zinc/30/14/44/1051301444.db2.gz WCOLHVDSRCXTTD-UHFFFAOYSA-N -1 1 360.399 2.621 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012741 1051502535 /nfs/dbraw/zinc/50/25/35/1051502535.db2.gz SLLWLJMSSTVEJN-UHFFFAOYSA-N -1 1 352.293 2.560 20 5 FFBDMM CC1=Nc2ccccc2C12CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC001300198759 1056082305 /nfs/dbraw/zinc/08/23/05/1056082305.db2.gz CLHQPDKYTFPJNU-UHFFFAOYSA-N -1 1 366.377 2.975 20 5 FFBDMM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC001475316719 1061044872 /nfs/dbraw/zinc/04/48/72/1061044872.db2.gz VESSLLJBWGEVNE-PELKAZGASA-N -1 1 368.814 2.727 20 5 FFBDMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001475437572 1061089216 /nfs/dbraw/zinc/08/92/16/1061089216.db2.gz PMWOZIPEVKEIIF-JTQLQIEISA-N -1 1 364.851 2.978 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)cc1F ZINC001463099671 1061935204 /nfs/dbraw/zinc/93/52/04/1061935204.db2.gz ODYFOWITEWEQQJ-LBPRGKRZSA-N -1 1 369.418 2.680 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)on1 ZINC001522613754 1062226090 /nfs/dbraw/zinc/22/60/90/1062226090.db2.gz NKOMYZPAMPNCHS-UHFFFAOYSA-N -1 1 359.216 2.641 20 5 FFBDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575440494 1078140804 /nfs/dbraw/zinc/14/08/04/1078140804.db2.gz YQPAEDWPBTYVTK-MRVPVSSYSA-N -1 1 366.341 2.530 20 5 FFBDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575440494 1078140807 /nfs/dbraw/zinc/14/08/07/1078140807.db2.gz YQPAEDWPBTYVTK-MRVPVSSYSA-N -1 1 366.341 2.530 20 5 FFBDMM COC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC001579433932 1078629169 /nfs/dbraw/zinc/62/91/69/1078629169.db2.gz RQDDGQUYYRZWQQ-ZDUSSCGKSA-N -1 1 374.401 2.556 20 5 FFBDMM COC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC001579433932 1078629175 /nfs/dbraw/zinc/62/91/75/1078629175.db2.gz RQDDGQUYYRZWQQ-ZDUSSCGKSA-N -1 1 374.401 2.556 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1Cc2cc(F)c(F)cc2C1 ZINC001582804538 1079109695 /nfs/dbraw/zinc/10/96/95/1079109695.db2.gz FZWURLCBJQCGCI-UHFFFAOYSA-N -1 1 350.310 2.635 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1Cc2cc(F)c(F)cc2C1 ZINC001582804538 1079109700 /nfs/dbraw/zinc/10/97/00/1079109700.db2.gz FZWURLCBJQCGCI-UHFFFAOYSA-N -1 1 350.310 2.635 20 5 FFBDMM O=[N+]([O-])c1cc2cnn(Cc3ccc(-c4nn[n-]n4)s3)c2c(Cl)c1 ZINC001582803629 1079109995 /nfs/dbraw/zinc/10/99/95/1079109995.db2.gz OSBANQHGSCAHIY-UHFFFAOYSA-N -1 1 361.774 2.888 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001559035743 1076118103 /nfs/dbraw/zinc/11/81/03/1076118103.db2.gz FUIOYSHCPHQORD-JTQLQIEISA-N -1 1 374.422 2.660 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)cc1F ZINC001561134522 1076337832 /nfs/dbraw/zinc/33/78/32/1076337832.db2.gz OTSZLSCDNKKNBK-NHYWBVRUSA-N -1 1 374.434 2.916 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC001561419416 1076374191 /nfs/dbraw/zinc/37/41/91/1076374191.db2.gz UOKLRHHOZWRFPV-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM C[C@@H](CCCc1cccnc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589820613 1080772792 /nfs/dbraw/zinc/77/27/92/1080772792.db2.gz KCPIZSLGFBDGLA-LBPRGKRZSA-N -1 1 353.386 2.993 20 5 FFBDMM C[C@H](CCO)N(Cc1ccccc1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589833668 1080785439 /nfs/dbraw/zinc/78/54/39/1080785439.db2.gz GQAFPINLHVGXFJ-LLVKDONJSA-N -1 1 374.426 2.614 20 5 FFBDMM C[C@H](CCO)N(Cc1ccccc1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589833668 1080785453 /nfs/dbraw/zinc/78/54/53/1080785453.db2.gz GQAFPINLHVGXFJ-LLVKDONJSA-N -1 1 374.426 2.614 20 5 FFBDMM C[C@H](O)[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994079 1080927484 /nfs/dbraw/zinc/92/74/84/1080927484.db2.gz DEFSQBAGVPJZAZ-MADCSZMMSA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@H](O)[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccccc1F ZINC001589994079 1080927487 /nfs/dbraw/zinc/92/74/87/1080927487.db2.gz DEFSQBAGVPJZAZ-MADCSZMMSA-N -1 1 364.362 2.510 20 5 FFBDMM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590036674 1080961514 /nfs/dbraw/zinc/96/15/14/1080961514.db2.gz WIONSGRMKYWOGI-MRVPVSSYSA-N -1 1 351.388 2.597 20 5 FFBDMM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590036674 1080961518 /nfs/dbraw/zinc/96/15/18/1080961518.db2.gz WIONSGRMKYWOGI-MRVPVSSYSA-N -1 1 351.388 2.597 20 5 FFBDMM C[C@@H]1CC(CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590188981 1081079114 /nfs/dbraw/zinc/07/91/14/1081079114.db2.gz IRAGLSXLGHQHHX-RKDXNWHRSA-N -1 1 352.420 2.842 20 5 FFBDMM C[C@@H]1CC(CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590188981 1081079122 /nfs/dbraw/zinc/07/91/22/1081079122.db2.gz IRAGLSXLGHQHHX-RKDXNWHRSA-N -1 1 352.420 2.842 20 5 FFBDMM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590255795 1081127013 /nfs/dbraw/zinc/12/70/13/1081127013.db2.gz XVQFNVLNZQJKNN-KOLCDFICSA-N -1 1 352.420 2.844 20 5 FFBDMM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590255795 1081127015 /nfs/dbraw/zinc/12/70/15/1081127015.db2.gz XVQFNVLNZQJKNN-KOLCDFICSA-N -1 1 352.420 2.844 20 5 FFBDMM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C1)CCCC2 ZINC000275748782 256044589 /nfs/dbraw/zinc/04/45/89/256044589.db2.gz UMCBVVAVGAAGNE-CQSZACIVSA-N -1 1 370.409 2.771 20 5 FFBDMM Cc1nc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2n1C ZINC000302149292 258091134 /nfs/dbraw/zinc/09/11/34/258091134.db2.gz HJRXLDSJFXYYTN-UHFFFAOYSA-N -1 1 366.424 2.999 20 5 FFBDMM Cn1c([C@H]2CCCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2)n[n-]c1=S ZINC000097570025 222192654 /nfs/dbraw/zinc/19/26/54/222192654.db2.gz AMVPCZLSKXZKSW-PPGNKHEKSA-N -1 1 373.438 2.805 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCn2c(cc3ccccc32)C1 ZINC000377147163 512141802 /nfs/dbraw/zinc/14/18/02/512141802.db2.gz ULKMYSDQYDLAEA-UHFFFAOYSA-N -1 1 352.350 2.696 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000032595456 506268885 /nfs/dbraw/zinc/26/88/85/506268885.db2.gz NJXHXKGAAFICPO-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000011443534 506777028 /nfs/dbraw/zinc/77/70/28/506777028.db2.gz XOASALWNZPBUCN-SNVBAGLBSA-N -1 1 362.411 2.750 20 5 FFBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)s2)cc1OC ZINC000019358112 507166690 /nfs/dbraw/zinc/16/66/90/507166690.db2.gz IUJSYKFZTCFZQL-UHFFFAOYSA-N -1 1 364.383 2.983 20 5 FFBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000057497823 507280180 /nfs/dbraw/zinc/28/01/80/507280180.db2.gz NARUULFESXYURV-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000063803343 507772161 /nfs/dbraw/zinc/77/21/61/507772161.db2.gz JHSHMIZHUBMXNU-UHFFFAOYSA-N -1 1 350.714 2.977 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)Cc3ccccc3)n[nH]2)c1 ZINC000135588057 508628571 /nfs/dbraw/zinc/62/85/71/508628571.db2.gz JZXYGHZPKPVCTQ-UHFFFAOYSA-N -1 1 358.379 2.927 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCCO)c1ccccc1 ZINC000121395290 509171618 /nfs/dbraw/zinc/17/16/18/509171618.db2.gz HFKNNDQWRAEPGC-AWEZNQCLSA-N -1 1 368.386 2.526 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000171041243 509904196 /nfs/dbraw/zinc/90/41/96/509904196.db2.gz MNORWHPOOKZOJR-SWLSCSKDSA-N -1 1 368.436 2.855 20 5 FFBDMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186885240 509929154 /nfs/dbraw/zinc/92/91/54/509929154.db2.gz LNULRVLCGKKRMR-UHFFFAOYSA-N -1 1 371.271 2.866 20 5 FFBDMM O=C(NCc1cccc(OCC(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186942469 509963853 /nfs/dbraw/zinc/96/38/53/509963853.db2.gz ZRCKBTQOBSMLRQ-UHFFFAOYSA-N -1 1 371.271 2.567 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000183841141 510001174 /nfs/dbraw/zinc/00/11/74/510001174.db2.gz FCQGFNJTLLBDRZ-AWEZNQCLSA-N -1 1 363.757 2.563 20 5 FFBDMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187023982 510011890 /nfs/dbraw/zinc/01/18/90/510011890.db2.gz GKPRVSXHVDEQHK-INIZCTEOSA-N -1 1 350.334 2.610 20 5 FFBDMM CC(C)(C)OCc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187063301 510035163 /nfs/dbraw/zinc/03/51/63/510035163.db2.gz OFQMZRCDZDYEIO-UHFFFAOYSA-N -1 1 359.382 2.941 20 5 FFBDMM C[C@@H](Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)N(C)C(=O)OC(C)(C)C ZINC000269380915 510374267 /nfs/dbraw/zinc/37/42/67/510374267.db2.gz VHMNETMISOBWKR-VIFPVBQESA-N -1 1 351.363 2.771 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000174987385 510421632 /nfs/dbraw/zinc/42/16/32/510421632.db2.gz OLGJDPDKDUTJTJ-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000194819102 510543340 /nfs/dbraw/zinc/54/33/40/510543340.db2.gz SELOPSDVSCBQSL-UHFFFAOYSA-N -1 1 361.379 2.507 20 5 FFBDMM COc1cc(CN([C@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000263184212 510600024 /nfs/dbraw/zinc/60/00/24/510600024.db2.gz UPPOQGMIHYBPHR-MRVPVSSYSA-N -1 1 360.313 2.642 20 5 FFBDMM C[C@H](CCO)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296278110 511681335 /nfs/dbraw/zinc/68/13/35/511681335.db2.gz QVPBQUNSXQCJQH-QMMMGPOBSA-N -1 1 371.242 2.589 20 5 FFBDMM O=C(NC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCC1)c1ccccc1 ZINC000350332602 511779009 /nfs/dbraw/zinc/77/90/09/511779009.db2.gz ZQHSRIKDSMXSFN-UHFFFAOYSA-N -1 1 353.338 2.782 20 5 FFBDMM CCOc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000350726164 511871709 /nfs/dbraw/zinc/87/17/09/511871709.db2.gz GUGXOPDMIUDJDL-UHFFFAOYSA-N -1 1 357.326 2.553 20 5 FFBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH]n2)o1 ZINC000446621212 513299185 /nfs/dbraw/zinc/29/91/85/513299185.db2.gz VWGVEQVOCNKRKW-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000435437563 513588552 /nfs/dbraw/zinc/58/85/52/513588552.db2.gz KGUMDNRXRTUYNK-QWHCGFSZSA-N -1 1 368.436 2.889 20 5 FFBDMM Cc1cc(OC=C([O-])Nc2nc(-c3ccccc3)ns2)ccc1[N+](=O)[O-] ZINC000430413530 513646906 /nfs/dbraw/zinc/64/69/06/513646906.db2.gz ZSFSFKOOOPEREE-UHFFFAOYSA-N -1 1 370.390 2.861 20 5 FFBDMM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416521300 513815045 /nfs/dbraw/zinc/81/50/45/513815045.db2.gz AMLYKPILWLWJOL-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM CC1(F)CC([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000451627263 513873011 /nfs/dbraw/zinc/87/30/11/513873011.db2.gz BNILQLDIINYFCV-UHFFFAOYSA-N -1 1 367.196 2.526 20 5 FFBDMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c([N+](=O)[O-])c1 ZINC000427301690 514176151 /nfs/dbraw/zinc/17/61/51/514176151.db2.gz YHQZQWCDAOSTTA-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc([N+](=O)[O-])c3N)[nH][n-]2)c1 ZINC000444784165 514331716 /nfs/dbraw/zinc/33/17/16/514331716.db2.gz UWLUDKCAQAAZPA-UHFFFAOYSA-N -1 1 355.329 2.689 20 5 FFBDMM COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Br ZINC000427952672 514354289 /nfs/dbraw/zinc/35/42/89/514354289.db2.gz UEJPYYBGFLNSJP-UHFFFAOYSA-N -1 1 370.159 2.955 20 5 FFBDMM O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444982413 514382151 /nfs/dbraw/zinc/38/21/51/514382151.db2.gz SRGIWCQFMLDUSL-GDBMZVCRSA-N -1 1 357.366 2.563 20 5 FFBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457435 514482409 /nfs/dbraw/zinc/48/24/09/514482409.db2.gz SAXWXAFRSOAGGA-SECBINFHSA-N -1 1 372.312 2.981 20 5 FFBDMM O=C(c1c(F)ccc([O-])c1F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409446 514603031 /nfs/dbraw/zinc/60/30/31/514603031.db2.gz VERRJPTYWMFSIX-UHFFFAOYSA-N -1 1 350.277 2.613 20 5 FFBDMM CCc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471117815 514759568 /nfs/dbraw/zinc/75/95/68/514759568.db2.gz XMKGTYFMBJKDBS-UHFFFAOYSA-N -1 1 364.379 2.965 20 5 FFBDMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000484799486 514800263 /nfs/dbraw/zinc/80/02/63/514800263.db2.gz SHUUOPJYXQOAHB-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000480200512 514877511 /nfs/dbraw/zinc/87/75/11/514877511.db2.gz SUKGMKOKQFNPOL-SECBINFHSA-N -1 1 354.388 2.577 20 5 FFBDMM COc1ccc2c(c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC000480207445 514880649 /nfs/dbraw/zinc/88/06/49/514880649.db2.gz DLAQWVZWEHIKFG-UHFFFAOYSA-N -1 1 364.379 2.599 20 5 FFBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c2n[nH]cc21 ZINC000499176351 515226695 /nfs/dbraw/zinc/22/66/95/515226695.db2.gz NKKGEUKOLGPGOU-UHFFFAOYSA-N -1 1 362.367 2.594 20 5 FFBDMM Cn1cnc([N+](=O)[O-])c1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000462863345 515274457 /nfs/dbraw/zinc/27/44/57/515274457.db2.gz ORBNSYGWJRSPFG-UHFFFAOYSA-N -1 1 374.378 2.921 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000491596478 515458351 /nfs/dbraw/zinc/45/83/51/515458351.db2.gz KRYSZSKCBUBJAI-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000505603106 515604144 /nfs/dbraw/zinc/60/41/44/515604144.db2.gz BOYKUGHFROAOEO-HNNXBMFYSA-N -1 1 357.366 2.854 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c1 ZINC000464642461 515907834 /nfs/dbraw/zinc/90/78/34/515907834.db2.gz ICVBGONSIRDIDG-UHFFFAOYSA-N -1 1 361.745 2.942 20 5 FFBDMM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507288172 516157905 /nfs/dbraw/zinc/15/79/05/516157905.db2.gz ZHFKRGGXWNQGFT-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM CNc1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc1[N+](=O)[O-] ZINC000532133476 516817704 /nfs/dbraw/zinc/81/77/04/516817704.db2.gz VKFYJUZLQQVAPB-UHFFFAOYSA-N -1 1 373.319 2.979 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)c2ccc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000548217048 516831205 /nfs/dbraw/zinc/83/12/05/516831205.db2.gz KUBJBCMLPICPCL-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000555230838 516840930 /nfs/dbraw/zinc/84/09/30/516840930.db2.gz UFYVMTQGIQPOBR-CABCVRRESA-N -1 1 361.423 2.680 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000525186384 516951207 /nfs/dbraw/zinc/95/12/07/516951207.db2.gz VTRFFQAYPAKXBI-CABCVRRESA-N -1 1 361.423 2.995 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1[N+](=O)[O-] ZINC000542001889 517333109 /nfs/dbraw/zinc/33/31/09/517333109.db2.gz URTMSNNLCQIPDB-UHFFFAOYSA-N -1 1 359.363 2.952 20 5 FFBDMM COCCOc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000542103427 517384369 /nfs/dbraw/zinc/38/43/69/517384369.db2.gz VWQSRIUYVNPQIW-UHFFFAOYSA-N -1 1 372.424 2.829 20 5 FFBDMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553755091 517886261 /nfs/dbraw/zinc/88/62/61/517886261.db2.gz XCOLBBBZBFHVPS-FRFSOERESA-N -1 1 371.393 2.777 20 5 FFBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000517274632 518104620 /nfs/dbraw/zinc/10/46/20/518104620.db2.gz CPOUCPBMAJVRFL-LBPRGKRZSA-N -1 1 352.334 2.994 20 5 FFBDMM Cc1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1cc(C)ccc1C ZINC000581461577 518295489 /nfs/dbraw/zinc/29/54/89/518295489.db2.gz XGXWPZYCNBVNCE-UHFFFAOYSA-N -1 1 366.381 2.943 20 5 FFBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(C2CCCC2)CC1 ZINC000578653515 518312852 /nfs/dbraw/zinc/31/28/52/518312852.db2.gz CXHRPSZPQIDFQS-UHFFFAOYSA-N -1 1 353.806 2.654 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000570009709 518396803 /nfs/dbraw/zinc/39/68/03/518396803.db2.gz UGZBZFVWPSIPLQ-UHFFFAOYSA-N -1 1 372.768 2.960 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000584693891 518431277 /nfs/dbraw/zinc/43/12/77/518431277.db2.gz ZPHCAEZUTRERCT-UHFFFAOYSA-N -1 1 362.367 2.540 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cnccc21 ZINC000567816599 518728164 /nfs/dbraw/zinc/72/81/64/518728164.db2.gz AUDKOWIHPCYKBP-UHFFFAOYSA-N -1 1 373.346 2.642 20 5 FFBDMM C[C@@H](c1ccncc1)N1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000565035018 518753471 /nfs/dbraw/zinc/75/34/71/518753471.db2.gz DREFGGRPBPIRIL-LBPRGKRZSA-N -1 1 371.397 2.721 20 5 FFBDMM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)c1OC ZINC000588786871 518831926 /nfs/dbraw/zinc/83/19/26/518831926.db2.gz AVXIRFFBTAMCCV-JTQLQIEISA-N -1 1 361.354 2.512 20 5 FFBDMM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582896331 518974548 /nfs/dbraw/zinc/97/45/48/518974548.db2.gz SDJOJPWTZJVSHJ-MRXNPFEDSA-N -1 1 363.801 2.987 20 5 FFBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000571399671 519077729 /nfs/dbraw/zinc/07/77/29/519077729.db2.gz DSACTUAULZHOIH-UHFFFAOYSA-N -1 1 356.297 2.784 20 5 FFBDMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000590444744 519233877 /nfs/dbraw/zinc/23/38/77/519233877.db2.gz GTFHBSCRGDTTMN-XCBNKYQSSA-N -1 1 350.762 2.982 20 5 FFBDMM COC[C@@H](C)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000600794259 520473136 /nfs/dbraw/zinc/47/31/36/520473136.db2.gz VNSJKHWSQQJWQG-WBMJQRKESA-N -1 1 371.393 2.860 20 5 FFBDMM Cc1ccccc1CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000610873251 520886141 /nfs/dbraw/zinc/88/61/41/520886141.db2.gz MMTGQIQQOJPDNH-UHFFFAOYSA-N -1 1 369.421 2.957 20 5 FFBDMM O=C([O-])[C@H]1CC12CCN(Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000739536561 600281644 /nfs/dbraw/zinc/28/16/44/600281644.db2.gz NIPLPZRDLQRWPM-MRXNPFEDSA-N -1 1 356.382 2.603 20 5 FFBDMM CN(CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825946069 607448669 /nfs/dbraw/zinc/44/86/69/607448669.db2.gz HDZNVUUBDGQIPK-UHFFFAOYSA-N -1 1 374.788 2.944 20 5 FFBDMM CN(CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825946069 607448672 /nfs/dbraw/zinc/44/86/72/607448672.db2.gz HDZNVUUBDGQIPK-UHFFFAOYSA-N -1 1 374.788 2.944 20 5 FFBDMM O=C([O-])c1cc(F)ccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833298934 601013276 /nfs/dbraw/zinc/01/32/76/601013276.db2.gz IQRAXJWUIMOLDS-ZDUSSCGKSA-N -1 1 360.345 2.514 20 5 FFBDMM O=C([O-])c1cc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)c[nH]1 ZINC000833165050 604368307 /nfs/dbraw/zinc/36/83/07/604368307.db2.gz BLGFUNGBAGCUOX-UHFFFAOYSA-N -1 1 374.334 2.703 20 5 FFBDMM O=C([O-])[C@@H]1CC12CCN(Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000833771404 605291537 /nfs/dbraw/zinc/29/15/37/605291537.db2.gz DNTXFNLMSWUPCL-INIZCTEOSA-N -1 1 356.382 2.603 20 5 FFBDMM Cc1nn(CN2CCC3(C2)CCN(C(=O)[O-])CC3)c2cc([N+](=O)[O-])ccc12 ZINC000833919896 605861543 /nfs/dbraw/zinc/86/15/43/605861543.db2.gz BGKKEETVFPSXTH-UHFFFAOYSA-N -1 1 373.413 2.676 20 5 FFBDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000832239341 605904598 /nfs/dbraw/zinc/90/45/98/605904598.db2.gz DJPHLNOADXIVNF-AGUYFDCRSA-N -1 1 359.386 2.555 20 5 FFBDMM CCCOCc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821127899 606699348 /nfs/dbraw/zinc/69/93/48/606699348.db2.gz NZMOJSRSMRGSIX-UHFFFAOYSA-N -1 1 369.385 2.709 20 5 FFBDMM CCCOCc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821127899 606699349 /nfs/dbraw/zinc/69/93/49/606699349.db2.gz NZMOJSRSMRGSIX-UHFFFAOYSA-N -1 1 369.385 2.709 20 5 FFBDMM CC(C)Oc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820178059 606700959 /nfs/dbraw/zinc/70/09/59/606700959.db2.gz GOVNPBBPZIUGFA-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM CC(C)Oc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820178059 606700961 /nfs/dbraw/zinc/70/09/61/606700961.db2.gz GOVNPBBPZIUGFA-UHFFFAOYSA-N -1 1 355.358 2.569 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc2ccccc2s1 ZINC000823625098 606704252 /nfs/dbraw/zinc/70/42/52/606704252.db2.gz OVFGQRXEGZJSBL-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc2ccccc2s1 ZINC000823625098 606704254 /nfs/dbraw/zinc/70/42/54/606704254.db2.gz OVFGQRXEGZJSBL-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(F)cc2)CCC1 ZINC000823620880 606705107 /nfs/dbraw/zinc/70/51/07/606705107.db2.gz RUDJFVOFMDQFTJ-UHFFFAOYSA-N -1 1 369.360 2.843 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(F)cc2)CCC1 ZINC000823620880 606705108 /nfs/dbraw/zinc/70/51/08/606705108.db2.gz RUDJFVOFMDQFTJ-UHFFFAOYSA-N -1 1 369.360 2.843 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000823620296 606707521 /nfs/dbraw/zinc/70/75/21/606707521.db2.gz JQXKWKZQMYOALW-CQSZACIVSA-N -1 1 365.397 2.944 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000823620296 606707523 /nfs/dbraw/zinc/70/75/23/606707523.db2.gz JQXKWKZQMYOALW-CQSZACIVSA-N -1 1 365.397 2.944 20 5 FFBDMM CCC(CC)c1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])on1 ZINC000820897977 606713280 /nfs/dbraw/zinc/71/32/80/606713280.db2.gz RBKMEROTLSHZFJ-UHFFFAOYSA-N -1 1 358.362 2.674 20 5 FFBDMM CCC(CC)c1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])on1 ZINC000820897977 606713281 /nfs/dbraw/zinc/71/32/81/606713281.db2.gz RBKMEROTLSHZFJ-UHFFFAOYSA-N -1 1 358.362 2.674 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000820908737 606716928 /nfs/dbraw/zinc/71/69/28/606716928.db2.gz PRNWKSZFIRAUCJ-LBPRGKRZSA-N -1 1 369.385 2.748 20 5 FFBDMM CC[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1cccc(C)c1 ZINC000820908737 606716929 /nfs/dbraw/zinc/71/69/29/606716929.db2.gz PRNWKSZFIRAUCJ-LBPRGKRZSA-N -1 1 369.385 2.748 20 5 FFBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823380105 607105205 /nfs/dbraw/zinc/10/52/05/607105205.db2.gz QPQJWJCDMXZDAF-UHFFFAOYSA-N -1 1 373.379 2.698 20 5 FFBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823380105 607105206 /nfs/dbraw/zinc/10/52/06/607105206.db2.gz QPQJWJCDMXZDAF-UHFFFAOYSA-N -1 1 373.379 2.698 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCCCC2)cc1 ZINC000823624699 607162204 /nfs/dbraw/zinc/16/22/04/607162204.db2.gz FDZVFSDMVGPHHP-UHFFFAOYSA-N -1 1 366.385 2.904 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCCCC2)cc1 ZINC000823624699 607162205 /nfs/dbraw/zinc/16/22/05/607162205.db2.gz FDZVFSDMVGPHHP-UHFFFAOYSA-N -1 1 366.385 2.904 20 5 FFBDMM COc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826211756 608171172 /nfs/dbraw/zinc/17/11/72/608171172.db2.gz SNHIFZPSMZGHHU-UHFFFAOYSA-N -1 1 354.735 2.686 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826466283 609340522 /nfs/dbraw/zinc/34/05/22/609340522.db2.gz WKAFTUCVDCTHDB-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826466283 609340524 /nfs/dbraw/zinc/34/05/24/609340524.db2.gz WKAFTUCVDCTHDB-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000743454304 735298991 /nfs/dbraw/zinc/29/89/91/735298991.db2.gz UQGLBUNMYYRQPY-SNVBAGLBSA-N -1 1 362.773 2.675 20 5 FFBDMM CCCCOCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101568397 728486373 /nfs/dbraw/zinc/48/63/73/728486373.db2.gz DPVCRZZZCWEXRB-UHFFFAOYSA-N -1 1 350.824 2.733 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000173977657 729059875 /nfs/dbraw/zinc/05/98/75/729059875.db2.gz YDBHMUPSOCUTBV-AWEZNQCLSA-N -1 1 370.814 2.914 20 5 FFBDMM CCOc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194346972 729508087 /nfs/dbraw/zinc/50/80/87/729508087.db2.gz CWZOCDAGJROMTF-UHFFFAOYSA-N -1 1 354.359 2.611 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC12CCOCC2 ZINC000867776100 731223694 /nfs/dbraw/zinc/22/36/94/731223694.db2.gz IRTVWHITDCVELH-LLVKDONJSA-N -1 1 374.846 2.733 20 5 FFBDMM COc1cc(C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000874928617 732115371 /nfs/dbraw/zinc/11/53/71/732115371.db2.gz QKJRYVZAYLAATR-XCVCLJGOSA-N -1 1 360.294 2.571 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000882761738 733289209 /nfs/dbraw/zinc/28/92/09/733289209.db2.gz JXBCXNGRMPKFLU-WCQYABFASA-N -1 1 360.407 2.526 20 5 FFBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000732306754 734731831 /nfs/dbraw/zinc/73/18/31/734731831.db2.gz RWGMMZZIQAUKSN-UHFFFAOYSA-N -1 1 350.714 2.977 20 5 FFBDMM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000732988173 734780287 /nfs/dbraw/zinc/78/02/87/734780287.db2.gz PXNQUNHMJMTDTR-LLVKDONJSA-N -1 1 368.386 2.652 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2nc(Cl)ccc2F)cc([N+](=O)[O-])c1 ZINC000759131847 736549332 /nfs/dbraw/zinc/54/93/32/736549332.db2.gz LOACLMHJEGGBCL-UHFFFAOYSA-N -1 1 353.693 2.821 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000920043196 737887685 /nfs/dbraw/zinc/88/76/85/737887685.db2.gz JLZHSIIKMIDBDO-JTQLQIEISA-N -1 1 356.350 2.955 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc([N+](=O)[O-])c1F ZINC000786913152 739088323 /nfs/dbraw/zinc/08/83/23/739088323.db2.gz BKBKJJBELDNGNN-NSHDSACASA-N -1 1 358.313 2.908 20 5 FFBDMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421132 739561913 /nfs/dbraw/zinc/56/19/13/739561913.db2.gz HOIICPFTGDRABQ-WRWORJQWSA-N -1 1 371.242 2.587 20 5 FFBDMM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ncc2Br)s1 ZINC000798157232 740307984 /nfs/dbraw/zinc/30/79/84/740307984.db2.gz XDAJNTFJCJBELA-UHFFFAOYSA-N -1 1 372.204 2.980 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccc(Cl)cc3C2)s1 ZINC000800157616 740493876 /nfs/dbraw/zinc/49/38/76/740493876.db2.gz PHTOUQIFRYSXEX-LLVKDONJSA-N -1 1 358.828 2.755 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(Cl)cc1Cl ZINC000809810070 741346226 /nfs/dbraw/zinc/34/62/26/741346226.db2.gz JLDMZWZRODZRAK-MRVPVSSYSA-N -1 1 369.226 2.749 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[C@H](C)O ZINC000809819616 741347874 /nfs/dbraw/zinc/34/78/74/741347874.db2.gz BLPIFIIZXZSKDR-SFYZADRCSA-N -1 1 371.242 2.587 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccncc1 ZINC000809823790 741349026 /nfs/dbraw/zinc/34/90/26/741349026.db2.gz SMVBFTIYOXFGIV-VIFPVBQESA-N -1 1 373.793 2.864 20 5 FFBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841537237 747389212 /nfs/dbraw/zinc/38/92/12/747389212.db2.gz RTYLPTOFJUODMC-DTORHVGOSA-N -1 1 366.798 2.622 20 5 FFBDMM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000841564445 747402983 /nfs/dbraw/zinc/40/29/83/747402983.db2.gz SMHRBCCSHCPLDC-QMMMGPOBSA-N -1 1 366.798 2.623 20 5 FFBDMM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000176906161 968255772 /nfs/dbraw/zinc/25/57/72/968255772.db2.gz XTPROZRVBYIGCB-UHFFFAOYSA-N -1 1 363.280 2.822 20 5 FFBDMM C[C@@H]1Cc2cc(CNCc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)ccc2O1 ZINC001594616341 986635422 /nfs/dbraw/zinc/63/54/22/986635422.db2.gz UKBSLNAFAPYQIL-GFCCVEGCSA-N -1 1 372.377 2.671 20 5 FFBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913743052 986883902 /nfs/dbraw/zinc/88/39/02/986883902.db2.gz CBSQROZLBVHHQG-UHFFFAOYSA-N -1 1 358.405 2.921 20 5 FFBDMM Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccnc1-2 ZINC001128429241 987870956 /nfs/dbraw/zinc/87/09/56/987870956.db2.gz ZWNDVTTYFQRLTI-UHFFFAOYSA-N -1 1 365.271 2.521 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001599622579 994104488 /nfs/dbraw/zinc/10/44/88/994104488.db2.gz UGADUYVMGKVKHA-LBPRGKRZSA-N -1 1 360.366 2.918 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)cc1F ZINC001190284761 1007572763 /nfs/dbraw/zinc/57/27/63/1007572763.db2.gz INBCAUKYRYCOCR-NSHDSACASA-N -1 1 368.386 2.657 20 5 FFBDMM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000819999241 1008273719 /nfs/dbraw/zinc/27/37/19/1008273719.db2.gz OPNWGGHHTDBTOC-UHFFFAOYSA-N -1 1 359.338 2.910 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000748640563 1017483231 /nfs/dbraw/zinc/48/32/31/1017483231.db2.gz SPNWIIAMMALQSY-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(NC1CC1)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000780068619 1019399945 /nfs/dbraw/zinc/39/99/45/1019399945.db2.gz LQHLHLCGLSSPKD-INIZCTEOSA-N -1 1 374.324 2.616 20 5 FFBDMM C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074059 1019567835 /nfs/dbraw/zinc/56/78/35/1019567835.db2.gz FXQWUNJVQNDKEZ-LBPRGKRZSA-N -1 1 358.350 2.677 20 5 FFBDMM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076134 1019625538 /nfs/dbraw/zinc/62/55/38/1019625538.db2.gz RSJYFMDRCZHCTR-LLVKDONJSA-N -1 1 374.349 2.883 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ncccc12 ZINC000780075976 1019643171 /nfs/dbraw/zinc/64/31/71/1019643171.db2.gz NVZJDDBSTCTQHW-VIFPVBQESA-N -1 1 355.306 2.605 20 5 FFBDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])cc1O)c1ccccc1[N+](=O)[O-] ZINC001117721209 1021835670 /nfs/dbraw/zinc/83/56/70/1021835670.db2.gz FYZBJUNIDJMJPC-UHFFFAOYSA-N -1 1 359.334 2.710 20 5 FFBDMM Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Br ZINC001161448328 1028179135 /nfs/dbraw/zinc/17/91/35/1028179135.db2.gz ASZSWIGIFZRXSY-UHFFFAOYSA-N -1 1 366.171 2.696 20 5 FFBDMM O=C([N-]C1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1)C(F)(F)F ZINC001166897429 1030568500 /nfs/dbraw/zinc/56/85/00/1030568500.db2.gz VIWTZQIFSVNJEK-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM Cc1c(C(=O)Nc2cccc(F)c2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC001151772773 1032026331 /nfs/dbraw/zinc/02/63/31/1032026331.db2.gz UFUHCGQWPWYSOA-UHFFFAOYSA-N -1 1 357.301 2.581 20 5 FFBDMM CCOC(=O)[C@@H]1C[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664504 1034357701 /nfs/dbraw/zinc/35/77/01/1034357701.db2.gz PMEKUZYSARHQQI-KBPBESRZSA-N -1 1 360.322 2.530 20 5 FFBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC[C@@H]1COc2ccccc2O1 ZINC001228861925 1036366262 /nfs/dbraw/zinc/36/62/62/1036366262.db2.gz JJBFHCSNPOKGPV-QMMMGPOBSA-N -1 1 372.255 2.933 20 5 FFBDMM COC(=O)C1(C)CC(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C1 ZINC001234875867 1037217193 /nfs/dbraw/zinc/21/71/93/1037217193.db2.gz WJNDVNUHPAWIBP-UHFFFAOYSA-N -1 1 360.160 2.783 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001231259541 1037514242 /nfs/dbraw/zinc/51/42/42/1037514242.db2.gz NZENFSBHBQXYLP-UHFFFAOYSA-N -1 1 353.375 2.782 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2ccc3nc(C4CCOCC4)nn3c2)ccc1[O-] ZINC001210394782 1039519589 /nfs/dbraw/zinc/51/95/89/1039519589.db2.gz GYNRYCHIYCOEMH-UHFFFAOYSA-N -1 1 355.354 2.981 20 5 FFBDMM COC(=O)c1nc(Br)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393754 1039520450 /nfs/dbraw/zinc/52/04/50/1039520450.db2.gz YSRJYXSNAHWCRJ-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2cnc3c(C4CCOCC4)cnn3c2)ccc1[O-] ZINC001210396170 1039521450 /nfs/dbraw/zinc/52/14/50/1039521450.db2.gz LKOVLQGPNHPQEC-UHFFFAOYSA-N -1 1 355.354 2.981 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C)c1noc(C)n1 ZINC001210593932 1039627209 /nfs/dbraw/zinc/62/72/09/1039627209.db2.gz RUIQTAXEMFKUSG-SNVBAGLBSA-N -1 1 374.806 2.678 20 5 FFBDMM CC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001309633154 1043461850 /nfs/dbraw/zinc/46/18/50/1043461850.db2.gz FPXVDFIFUPCWCL-UHFFFAOYSA-N -1 1 366.370 2.723 20 5 FFBDMM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001329899567 1048960326 /nfs/dbraw/zinc/96/03/26/1048960326.db2.gz WHDLXUZRKPXKSX-SFYZADRCSA-N -1 1 369.226 2.747 20 5 FFBDMM Cc1occc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309121027 1052559636 /nfs/dbraw/zinc/55/96/36/1052559636.db2.gz HYBJGFKETUMREJ-UHFFFAOYSA-N -1 1 364.301 2.994 20 5 FFBDMM CC(C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC001336036954 1053723375 /nfs/dbraw/zinc/72/33/75/1053723375.db2.gz SMUXFMUUNMGAFR-SECBINFHSA-N -1 1 356.247 2.505 20 5 FFBDMM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001446518068 1058525571 /nfs/dbraw/zinc/52/55/71/1058525571.db2.gz PGAGGVLUZUWZQN-UHFFFAOYSA-N -1 1 354.366 2.773 20 5 FFBDMM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001449642610 1058929502 /nfs/dbraw/zinc/92/95/02/1058929502.db2.gz SNSVOKHFEIPYCC-VIFPVBQESA-N -1 1 353.256 2.530 20 5 FFBDMM CSc1nc(CNc2ncc([N+](=O)[O-])cc2Br)cc(=O)[n-]1 ZINC001458461171 1060594536 /nfs/dbraw/zinc/59/45/36/1060594536.db2.gz NODSSDCFYNCPCJ-UHFFFAOYSA-N -1 1 372.204 2.582 20 5 FFBDMM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC001463728587 1062229742 /nfs/dbraw/zinc/22/97/42/1062229742.db2.gz XZWSMHVVMWZBAU-UHFFFAOYSA-N -1 1 356.350 2.702 20 5 FFBDMM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001470961265 1064505879 /nfs/dbraw/zinc/50/58/79/1064505879.db2.gz AYYPGELSCOKNPO-UHFFFAOYSA-N -1 1 358.329 2.597 20 5 FFBDMM C[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001575434560 1078140698 /nfs/dbraw/zinc/14/06/98/1078140698.db2.gz BQQWRVXRLHGQEY-RSNKEIGGSA-N -1 1 372.410 2.685 20 5 FFBDMM C[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001575434560 1078140702 /nfs/dbraw/zinc/14/07/02/1078140702.db2.gz BQQWRVXRLHGQEY-RSNKEIGGSA-N -1 1 372.410 2.685 20 5 FFBDMM CCN(C)c1ccccc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001577871815 1078410397 /nfs/dbraw/zinc/41/03/97/1078410397.db2.gz PIPDCUCOHHLSMY-UHFFFAOYSA-N -1 1 359.415 2.905 20 5 FFBDMM CCN(C)c1ccccc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001577871815 1078410399 /nfs/dbraw/zinc/41/03/99/1078410399.db2.gz PIPDCUCOHHLSMY-UHFFFAOYSA-N -1 1 359.415 2.905 20 5 FFBDMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603255 1076043555 /nfs/dbraw/zinc/04/35/55/1076043555.db2.gz MLFRCRNWBBIIDC-VIFPVBQESA-N -1 1 362.411 2.654 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCS1 ZINC001561986034 1076460613 /nfs/dbraw/zinc/46/06/13/1076460613.db2.gz MIARPPVZNGOGJX-JGVFFNPUSA-N -1 1 368.839 2.950 20 5 FFBDMM Cc1cccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001562013775 1076466449 /nfs/dbraw/zinc/46/64/49/1076466449.db2.gz MXDXQIVZUJWKIO-SNVBAGLBSA-N -1 1 355.803 2.991 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC001585852976 1079506174 /nfs/dbraw/zinc/50/61/74/1079506174.db2.gz GRDLUZMTMNWZCQ-UHFFFAOYSA-N -1 1 358.372 2.760 20 5 FFBDMM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001589100337 1080354243 /nfs/dbraw/zinc/35/42/43/1080354243.db2.gz ZPLYDYTXLUSEPH-KCJUWKMLSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001589100337 1080354250 /nfs/dbraw/zinc/35/42/50/1080354250.db2.gz ZPLYDYTXLUSEPH-KCJUWKMLSA-N -1 1 352.420 2.842 20 5 FFBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001589293054 1080467097 /nfs/dbraw/zinc/46/70/97/1080467097.db2.gz OFVALYSWABULBC-UHFFFAOYSA-N -1 1 371.376 2.886 20 5 FFBDMM CC(C)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001589293054 1080467099 /nfs/dbraw/zinc/46/70/99/1080467099.db2.gz OFVALYSWABULBC-UHFFFAOYSA-N -1 1 371.376 2.886 20 5 FFBDMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001590010865 1080938603 /nfs/dbraw/zinc/93/86/03/1080938603.db2.gz OZWLCZBQOOVRTJ-VIFPVBQESA-N -1 1 357.301 2.832 20 5 FFBDMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001590010865 1080938606 /nfs/dbraw/zinc/93/86/06/1080938606.db2.gz OZWLCZBQOOVRTJ-VIFPVBQESA-N -1 1 357.301 2.832 20 5 FFBDMM C[C@H]1[C@H](C(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590164128 1081064033 /nfs/dbraw/zinc/06/40/33/1081064033.db2.gz AZVLZYGBSVWEKQ-GZMMTYOYSA-N -1 1 356.308 2.942 20 5 FFBDMM COc1cccc([C@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)c1OC ZINC000277237387 256175741 /nfs/dbraw/zinc/17/57/41/256175741.db2.gz IYTSRASCUBXMPC-HNNXBMFYSA-N -1 1 360.366 2.918 20 5 FFBDMM O=C([N-]CCOCC(F)(F)C(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000278071762 256273437 /nfs/dbraw/zinc/27/34/37/256273437.db2.gz XEWYDQNZGDFUGV-UHFFFAOYSA-N -1 1 374.237 2.720 20 5 FFBDMM CC(=O)c1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000287850532 257121055 /nfs/dbraw/zinc/12/10/55/257121055.db2.gz SBIVLWCKGNKGIP-UHFFFAOYSA-N -1 1 373.331 2.692 20 5 FFBDMM O=C(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccc([O-])cc1 ZINC000288002872 257138241 /nfs/dbraw/zinc/13/82/41/257138241.db2.gz KJUZQMNFUQDERR-UHFFFAOYSA-N -1 1 370.361 2.553 20 5 FFBDMM COc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1OC ZINC000288055740 257143432 /nfs/dbraw/zinc/14/34/32/257143432.db2.gz NFIHBRLRXNXHCR-JTQLQIEISA-N -1 1 361.354 2.512 20 5 FFBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000032631042 506272251 /nfs/dbraw/zinc/27/22/51/506272251.db2.gz RLEUSSUEQMFDAK-UHFFFAOYSA-N -1 1 366.395 2.729 20 5 FFBDMM COC(=O)c1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc([N+](=O)[O-])c1 ZINC000068073798 507100487 /nfs/dbraw/zinc/10/04/87/507100487.db2.gz FQKRBKYTYGPSRM-UHFFFAOYSA-N -1 1 364.383 2.783 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC000030115509 507802194 /nfs/dbraw/zinc/80/21/94/507802194.db2.gz XDURPRNYXMNUQT-QMMMGPOBSA-N -1 1 355.272 2.793 20 5 FFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081557540 508189127 /nfs/dbraw/zinc/18/91/27/508189127.db2.gz FIDNBPBAMVWKGW-SNVBAGLBSA-N -1 1 358.398 2.775 20 5 FFBDMM C[C@@H](CCO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000077226379 508289959 /nfs/dbraw/zinc/28/99/59/508289959.db2.gz FTDDTWPUYOXTPW-LBPRGKRZSA-N -1 1 365.411 2.578 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000116601973 508536988 /nfs/dbraw/zinc/53/69/88/508536988.db2.gz RPBANWSAQNQKLR-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM CCC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1nn[n-]n1 ZINC000136685685 508708986 /nfs/dbraw/zinc/70/89/86/508708986.db2.gz FKLYFFMNUVVVMM-NSHDSACASA-N -1 1 373.398 2.503 20 5 FFBDMM COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000124710111 508873365 /nfs/dbraw/zinc/87/33/65/508873365.db2.gz KFFUCSDVFHHWGP-GFCCVEGCSA-N -1 1 359.382 2.655 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000160980843 509056670 /nfs/dbraw/zinc/05/66/70/509056670.db2.gz MOKHPHJCORERBU-UHFFFAOYSA-N -1 1 362.835 2.612 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000185656742 509288143 /nfs/dbraw/zinc/28/81/43/509288143.db2.gz MMGUGSKRRXLLPZ-HSZRJFAPSA-N -1 1 368.436 2.583 20 5 FFBDMM Cc1cc(Br)c([O-])c(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000182919712 509496513 /nfs/dbraw/zinc/49/65/13/509496513.db2.gz LDVKZCSIQKCWFZ-UHFFFAOYSA-N -1 1 369.175 2.597 20 5 FFBDMM O=C([O-])C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000237994764 509794707 /nfs/dbraw/zinc/79/47/07/509794707.db2.gz PHAZGGMPHLRHCO-AWEZNQCLSA-N -1 1 372.312 2.556 20 5 FFBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCC2 ZINC000174029815 509913228 /nfs/dbraw/zinc/91/32/28/509913228.db2.gz MZPCWNKMYHBEPB-MNOVXSKESA-N -1 1 360.457 2.672 20 5 FFBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000268491271 509966199 /nfs/dbraw/zinc/96/61/99/509966199.db2.gz OJVGWGGVULMAQP-UHFFFAOYSA-N -1 1 356.791 2.958 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000186975621 509982761 /nfs/dbraw/zinc/98/27/61/509982761.db2.gz RVFSOGFWZXHJLS-UHFFFAOYSA-N -1 1 367.365 2.592 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000183844541 510003180 /nfs/dbraw/zinc/00/31/80/510003180.db2.gz PXHDRZCKQZTUCD-OLZOCXBDSA-N -1 1 368.436 2.855 20 5 FFBDMM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187107945 510061654 /nfs/dbraw/zinc/06/16/54/510061654.db2.gz RLLVJHIMPFNABS-HNNXBMFYSA-N -1 1 356.382 2.739 20 5 FFBDMM COc1cc(CN2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000262660503 510357527 /nfs/dbraw/zinc/35/75/27/510357527.db2.gz NOLVXSRGKIQWCL-UHFFFAOYSA-N -1 1 360.313 2.501 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187716468 510400599 /nfs/dbraw/zinc/40/05/99/510400599.db2.gz LKODBMWUUZVAFS-SNVBAGLBSA-N -1 1 366.399 2.577 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)s1 ZINC000187833872 510461530 /nfs/dbraw/zinc/46/15/30/510461530.db2.gz SQHRGKANQDQUNW-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000181847510 510624622 /nfs/dbraw/zinc/62/46/22/510624622.db2.gz FPQVUIAEONXIJY-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM CCOC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000188387561 510741914 /nfs/dbraw/zinc/74/19/14/510741914.db2.gz AKKWSSNYWAIDMT-LLVKDONJSA-N -1 1 350.824 2.588 20 5 FFBDMM O=C(Nc1cccc([O-])c1F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000182079044 510744622 /nfs/dbraw/zinc/74/46/22/510744622.db2.gz VPPZGMWLCGEVJZ-UHFFFAOYSA-N -1 1 361.329 2.528 20 5 FFBDMM CC(C)n1c(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2ccccc21 ZINC000175716709 510752611 /nfs/dbraw/zinc/75/26/11/510752611.db2.gz GXKWKCUNAJJFPK-UHFFFAOYSA-N -1 1 369.381 2.599 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1[N+](=O)[O-] ZINC000191789850 510831205 /nfs/dbraw/zinc/83/12/05/510831205.db2.gz WOKTUBPOGCXPNX-UHFFFAOYSA-N -1 1 358.379 2.956 20 5 FFBDMM CC(C)c1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270612272 510923698 /nfs/dbraw/zinc/92/36/98/510923698.db2.gz YNFOLCGXBFWJJI-MRVPVSSYSA-N -1 1 373.822 2.529 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000279799242 511219015 /nfs/dbraw/zinc/21/90/15/511219015.db2.gz PBOQRIYOXRBIJY-UHFFFAOYSA-N -1 1 361.198 2.652 20 5 FFBDMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000311312594 511776553 /nfs/dbraw/zinc/77/65/53/511776553.db2.gz SFKFGPJDIYIMIF-HNNXBMFYSA-N -1 1 355.394 2.695 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1OCCc2sccc21 ZINC000366225563 511910837 /nfs/dbraw/zinc/91/08/37/511910837.db2.gz FUJRHTMREHDURP-ISVAXAHUSA-N -1 1 374.465 2.699 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000369955751 512698397 /nfs/dbraw/zinc/69/83/97/512698397.db2.gz VQWRHOBVXVMINN-UHFFFAOYSA-N -1 1 363.320 2.993 20 5 FFBDMM COc1cc(SC)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000446637718 513301622 /nfs/dbraw/zinc/30/16/22/513301622.db2.gz KVMDPDXTFBMYBB-UHFFFAOYSA-N -1 1 370.408 2.832 20 5 FFBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Cl)cc1 ZINC000430723834 513733674 /nfs/dbraw/zinc/73/36/74/513733674.db2.gz PNSLRRLWCSEHGG-VIFPVBQESA-N -1 1 351.746 2.546 20 5 FFBDMM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000416579123 513844858 /nfs/dbraw/zinc/84/48/58/513844858.db2.gz BFKYAIQUGLMQGH-LKFCYVNXSA-N -1 1 362.835 2.730 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2SC)c([N+](=O)[O-])n1 ZINC000443081376 513865473 /nfs/dbraw/zinc/86/54/73/513865473.db2.gz WRSSBKUZZWMVQX-JTQLQIEISA-N -1 1 370.456 2.573 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000436502400 513875849 /nfs/dbraw/zinc/87/58/49/513875849.db2.gz DRZZUJHJWGHZIJ-UHFFFAOYSA-N -1 1 369.333 2.750 20 5 FFBDMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436859345 514013591 /nfs/dbraw/zinc/01/35/91/514013591.db2.gz AWUKTLSEVIKBSN-HNNXBMFYSA-N -1 1 355.394 2.695 20 5 FFBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000436914965 514032336 /nfs/dbraw/zinc/03/23/36/514032336.db2.gz LYDPXSGYTFCDNX-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000436914965 514032346 /nfs/dbraw/zinc/03/23/46/514032346.db2.gz LYDPXSGYTFCDNX-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000426801700 514046022 /nfs/dbraw/zinc/04/60/22/514046022.db2.gz SECOIRUNZFBEJT-OAHLLOKOSA-N -1 1 360.366 2.918 20 5 FFBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414376610 514076810 /nfs/dbraw/zinc/07/68/10/514076810.db2.gz UUVPDSADGYBQEI-UHFFFAOYSA-N -1 1 350.396 2.813 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000427630292 514269512 /nfs/dbraw/zinc/26/95/12/514269512.db2.gz MDASYVRKDFSVNO-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000427634688 514270561 /nfs/dbraw/zinc/27/05/61/514270561.db2.gz WGJWOWFJIFEUOD-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C)o1 ZINC000480022131 514812962 /nfs/dbraw/zinc/81/29/62/514812962.db2.gz HZENBRPIBZSTBW-CYBMUJFWSA-N -1 1 372.374 2.691 20 5 FFBDMM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C ZINC000480197719 514876253 /nfs/dbraw/zinc/87/62/53/514876253.db2.gz NZJJGYULPZWQSS-SNVBAGLBSA-N -1 1 368.415 2.886 20 5 FFBDMM CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Br ZINC000467065225 514885317 /nfs/dbraw/zinc/88/53/17/514885317.db2.gz YLULNMCZTSYXFJ-UHFFFAOYSA-N -1 1 367.203 2.999 20 5 FFBDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000476243865 514964015 /nfs/dbraw/zinc/96/40/15/514964015.db2.gz FHERUOACVRJXPM-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000499280644 515267129 /nfs/dbraw/zinc/26/71/29/515267129.db2.gz AVMKRLDXPVUQGL-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3n(n2)CCCC3)cc1SC ZINC000457145786 515687652 /nfs/dbraw/zinc/68/76/52/515687652.db2.gz KZTHHFQZLIOCDT-UHFFFAOYSA-N -1 1 363.399 2.505 20 5 FFBDMM COc1ccc([C@H]2C[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1F ZINC000506308680 515846053 /nfs/dbraw/zinc/84/60/53/515846053.db2.gz XYLSQPRHLOUJHY-UMSPYCQHSA-N -1 1 361.329 2.519 20 5 FFBDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000535656581 516436796 /nfs/dbraw/zinc/43/67/96/516436796.db2.gz YERCRIXTHTUTTE-UHFFFAOYSA-N -1 1 364.379 2.799 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccon1 ZINC000540470907 516568106 /nfs/dbraw/zinc/56/81/06/516568106.db2.gz VQWOLWKKOZYCPE-SSDOTTSWSA-N -1 1 365.289 2.641 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000525188977 516952625 /nfs/dbraw/zinc/95/26/25/516952625.db2.gz LOYLFHKHFAHWGP-LDYMZIIASA-N -1 1 371.777 2.617 20 5 FFBDMM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000533180469 517327623 /nfs/dbraw/zinc/32/76/23/517327623.db2.gz RSRWKYSGUXATBX-CQSZACIVSA-N -1 1 366.443 2.501 20 5 FFBDMM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000556321230 517369663 /nfs/dbraw/zinc/36/96/63/517369663.db2.gz HXMMTJWPOPZRLO-GOSISDBHSA-N -1 1 360.341 2.758 20 5 FFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cn[nH]c1-c1ccncc1 ZINC000542751079 517716907 /nfs/dbraw/zinc/71/69/07/517716907.db2.gz UFTJBDWJHYMXAX-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000521762910 517848590 /nfs/dbraw/zinc/84/85/90/517848590.db2.gz NNXNRYRTESMGOZ-UHFFFAOYSA-N -1 1 351.409 2.876 20 5 FFBDMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccn1 ZINC000522064899 517973224 /nfs/dbraw/zinc/97/32/24/517973224.db2.gz ZLHPIPHVJSTWAY-LBPRGKRZSA-N -1 1 374.397 2.834 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cc[nH]n1 ZINC000522107097 517986272 /nfs/dbraw/zinc/98/62/72/517986272.db2.gz GNFAUSITKZVFQU-UHFFFAOYSA-N -1 1 373.394 2.731 20 5 FFBDMM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000539385535 518020907 /nfs/dbraw/zinc/02/09/07/518020907.db2.gz SWKKSPFEXQYJBV-OXHMUOHRSA-N -1 1 362.835 2.586 20 5 FFBDMM CN(C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000543590531 518148413 /nfs/dbraw/zinc/14/84/13/518148413.db2.gz ZVUXGBRZWRNBNY-HNNXBMFYSA-N -1 1 363.801 2.987 20 5 FFBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000573205516 518556346 /nfs/dbraw/zinc/55/63/46/518556346.db2.gz WHHYXDHPZUPGCR-UHFFFAOYSA-N -1 1 366.395 2.975 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000589559346 519030737 /nfs/dbraw/zinc/03/07/37/519030737.db2.gz YJNXQIJSICOHDU-UHFFFAOYSA-N -1 1 364.379 2.995 20 5 FFBDMM COc1ccccc1[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000568633816 519140535 /nfs/dbraw/zinc/14/05/35/519140535.db2.gz MLNBQMVHUMAJHS-KRWDZBQOSA-N -1 1 373.409 2.945 20 5 FFBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000597623131 520142721 /nfs/dbraw/zinc/14/27/21/520142721.db2.gz XSRILNSXHARLFY-UHFFFAOYSA-N -1 1 366.761 2.665 20 5 FFBDMM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000595352932 520423273 /nfs/dbraw/zinc/42/32/73/520423273.db2.gz GPJMTHKVETUXOA-HUUCEWRRSA-N -1 1 370.452 2.693 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000611106154 520987210 /nfs/dbraw/zinc/98/72/10/520987210.db2.gz UUNRLNZYRRHBTF-AWEZNQCLSA-N -1 1 366.443 2.877 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)nc1 ZINC000593562633 521077873 /nfs/dbraw/zinc/07/78/73/521077873.db2.gz VYOQSRDBBZJWJP-KOLCDFICSA-N -1 1 367.349 2.637 20 5 FFBDMM CCc1ccc([C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000599206756 521087453 /nfs/dbraw/zinc/08/74/53/521087453.db2.gz JBMUPPPNNRHNEC-OAHLLOKOSA-N -1 1 366.443 2.566 20 5 FFBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619499989 521599649 /nfs/dbraw/zinc/59/96/49/521599649.db2.gz RMJDLJNDGZFSPC-QPUJVOFHSA-N -1 1 370.349 2.859 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000619507651 521601904 /nfs/dbraw/zinc/60/19/04/521601904.db2.gz XRPRLYLVLGZELY-LBPRGKRZSA-N -1 1 368.333 2.613 20 5 FFBDMM O=C([O-])CCC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000833225504 601840086 /nfs/dbraw/zinc/84/00/86/601840086.db2.gz LBAIRHYZQBPVDK-UHFFFAOYSA-N -1 1 350.371 2.538 20 5 FFBDMM O=[N+]([O-])c1cc(N[C@H](CCCO)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826498374 607635969 /nfs/dbraw/zinc/63/59/69/607635969.db2.gz SAKZZUHFXUMMHI-OAHLLOKOSA-N -1 1 354.370 2.701 20 5 FFBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823421611 606138237 /nfs/dbraw/zinc/13/82/37/606138237.db2.gz DWQANYQKMWQOHQ-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823421611 606138240 /nfs/dbraw/zinc/13/82/40/606138240.db2.gz DWQANYQKMWQOHQ-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM Cc1cccc(OCCN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000822328421 606645871 /nfs/dbraw/zinc/64/58/71/606645871.db2.gz POQJEVYKQRWQGL-UHFFFAOYSA-N -1 1 354.370 2.599 20 5 FFBDMM COc1ccc2c(c1)CCC[C@@H]2Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821849737 606703379 /nfs/dbraw/zinc/70/33/79/606703379.db2.gz OZDGOSBZGHPMLL-AWEZNQCLSA-N -1 1 367.369 2.668 20 5 FFBDMM COc1ccc2c(c1)CCC[C@@H]2Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821849737 606703380 /nfs/dbraw/zinc/70/33/80/606703380.db2.gz OZDGOSBZGHPMLL-AWEZNQCLSA-N -1 1 367.369 2.668 20 5 FFBDMM C[C@@H]1C[C@H](c2ccccc2)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820666554 606710439 /nfs/dbraw/zinc/71/04/39/606710439.db2.gz IJBPCDSZGZFOFH-YPMHNXCESA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@@H]1C[C@H](c2ccccc2)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820666554 606710441 /nfs/dbraw/zinc/71/04/41/606710441.db2.gz IJBPCDSZGZFOFH-YPMHNXCESA-N -1 1 351.370 2.552 20 5 FFBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000820280310 606714851 /nfs/dbraw/zinc/71/48/51/606714851.db2.gz DFJARWSWEFYFAC-VIFPVBQESA-N -1 1 366.341 2.527 20 5 FFBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000820280310 606714852 /nfs/dbraw/zinc/71/48/52/606714852.db2.gz DFJARWSWEFYFAC-VIFPVBQESA-N -1 1 366.341 2.527 20 5 FFBDMM CCc1nnc(Oc2cc([N+](=O)[O-])ccc2C)c(-c2nnn[n-]2)c1CC ZINC000821548056 606922572 /nfs/dbraw/zinc/92/25/72/606922572.db2.gz HLRKJRCDFDSEOU-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM CCc1nnc(Oc2cc([N+](=O)[O-])ccc2C)c(-c2nn[n-]n2)c1CC ZINC000821548056 606922573 /nfs/dbraw/zinc/92/25/73/606922573.db2.gz HLRKJRCDFDSEOU-UHFFFAOYSA-N -1 1 355.358 2.790 20 5 FFBDMM Cc1ccc(CSCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822240145 607164825 /nfs/dbraw/zinc/16/48/25/607164825.db2.gz ULJOUELMRPRHLR-UHFFFAOYSA-N -1 1 371.426 2.824 20 5 FFBDMM Cc1ccc(CSCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822240145 607164826 /nfs/dbraw/zinc/16/48/26/607164826.db2.gz ULJOUELMRPRHLR-UHFFFAOYSA-N -1 1 371.426 2.824 20 5 FFBDMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158773748 728893955 /nfs/dbraw/zinc/89/39/55/728893955.db2.gz VFWJLNPBFYXRSC-MRVPVSSYSA-N -1 1 373.818 2.935 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000121353450 728625024 /nfs/dbraw/zinc/62/50/24/728625024.db2.gz RCQDKEBZMMLDRB-UHFFFAOYSA-N -1 1 365.411 2.779 20 5 FFBDMM Cc1c(CC(=O)Nc2nc(Br)ccc2[O-])cccc1[N+](=O)[O-] ZINC000121551068 728630673 /nfs/dbraw/zinc/63/06/73/728630673.db2.gz UGIUREFBJSOKIQ-UHFFFAOYSA-N -1 1 366.171 2.948 20 5 FFBDMM COc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1Cl ZINC000123471968 728659108 /nfs/dbraw/zinc/65/91/08/728659108.db2.gz AQUVRLSUZZMFMI-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124154303 728667260 /nfs/dbraw/zinc/66/72/60/728667260.db2.gz JBRAWSZIVZNHLH-NSHDSACASA-N -1 1 364.851 2.571 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126828842 728704765 /nfs/dbraw/zinc/70/47/65/728704765.db2.gz PFWZSDAFGXHZIJ-UHFFFAOYSA-N -1 1 354.363 2.915 20 5 FFBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000135677285 728738755 /nfs/dbraw/zinc/73/87/55/728738755.db2.gz YTMYGFMTYYFRDI-UHFFFAOYSA-N -1 1 368.386 2.654 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000194336263 729507305 /nfs/dbraw/zinc/50/73/05/729507305.db2.gz ONCYTTJPJMMXTA-UHFFFAOYSA-N -1 1 356.400 2.805 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000194335149 729507462 /nfs/dbraw/zinc/50/74/62/729507462.db2.gz LVIBMPVCFDJRIH-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000194546976 729513148 /nfs/dbraw/zinc/51/31/48/729513148.db2.gz SLWPINBFZCNVGY-UHFFFAOYSA-N -1 1 361.354 2.761 20 5 FFBDMM CC1(C(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000859355179 730451675 /nfs/dbraw/zinc/45/16/75/730451675.db2.gz HYENUIBMHAVTMC-UHFFFAOYSA-N -1 1 360.819 2.676 20 5 FFBDMM O=[N+]([O-])c1cnc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)s1 ZINC000866125929 731032881 /nfs/dbraw/zinc/03/28/81/731032881.db2.gz RQHPKZNZGLYKEY-UHFFFAOYSA-N -1 1 354.819 2.733 20 5 FFBDMM CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071668 738513599 /nfs/dbraw/zinc/51/35/99/738513599.db2.gz JTIUZPNFCNCENZ-AAEUAGOBSA-N -1 1 350.371 2.637 20 5 FFBDMM Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc1C ZINC000780075192 738514563 /nfs/dbraw/zinc/51/45/63/738514563.db2.gz JKKXWZBIRGGTLH-MRVPVSSYSA-N -1 1 365.367 2.558 20 5 FFBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000742306281 735223271 /nfs/dbraw/zinc/22/32/71/735223271.db2.gz BOGGQEJWALPUBD-KGLIPLIRSA-N -1 1 374.846 2.874 20 5 FFBDMM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000759126674 736549073 /nfs/dbraw/zinc/54/90/73/736549073.db2.gz VZRAULDVCOAZSB-UHFFFAOYSA-N -1 1 353.375 2.651 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(F)cc1Cl ZINC000769045175 737488976 /nfs/dbraw/zinc/48/89/76/737488976.db2.gz AQWUHYHGJPRDNX-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1[N+](=O)[O-] ZINC000918752069 737823925 /nfs/dbraw/zinc/82/39/25/737823925.db2.gz BNJCWAJPEGMVOL-UHFFFAOYSA-N -1 1 350.404 2.788 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000921852618 738056152 /nfs/dbraw/zinc/05/61/52/738056152.db2.gz DGSGXDFPANBCNB-IAQYHMDHSA-N -1 1 374.846 2.732 20 5 FFBDMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(C)(C)O1 ZINC000921906410 738064177 /nfs/dbraw/zinc/06/41/77/738064177.db2.gz OEAIOCMKHREYMQ-SNVBAGLBSA-N -1 1 360.407 2.606 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)ccc1[N+](=O)[O-] ZINC000786881676 739085433 /nfs/dbraw/zinc/08/54/33/739085433.db2.gz VVSPQDCNQIGNQZ-UHFFFAOYSA-N -1 1 357.775 2.761 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc([N+](=O)[O-])c1F ZINC000794609231 739910434 /nfs/dbraw/zinc/91/04/34/739910434.db2.gz VIVABWUUEBGWHS-UHFFFAOYSA-N -1 1 352.343 2.778 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795379439 740013041 /nfs/dbraw/zinc/01/30/41/740013041.db2.gz IMNYZMHKRXCNEK-SNVBAGLBSA-N -1 1 354.359 2.896 20 5 FFBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cs1 ZINC000800051976 740478679 /nfs/dbraw/zinc/47/86/79/740478679.db2.gz CFSGQOLVIRNWAC-UHFFFAOYSA-N -1 1 374.371 2.691 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000800178869 740497380 /nfs/dbraw/zinc/49/73/80/740497380.db2.gz GNSNNQWZCXIVKM-UHFFFAOYSA-N -1 1 352.334 2.838 20 5 FFBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(F)c1 ZINC000800929664 740567729 /nfs/dbraw/zinc/56/77/29/740567729.db2.gz LIIFMCRLXZAGLU-UHFFFAOYSA-N -1 1 371.321 2.632 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000808347766 741217513 /nfs/dbraw/zinc/21/75/13/741217513.db2.gz BCMYOZSDHUZZQC-SNVBAGLBSA-N -1 1 368.798 2.703 20 5 FFBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1 ZINC000815012226 741881721 /nfs/dbraw/zinc/88/17/21/741881721.db2.gz IFWWIMMNHWOVNX-UHFFFAOYSA-N -1 1 373.793 2.612 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000815027934 741885851 /nfs/dbraw/zinc/88/58/51/741885851.db2.gz ZYCWXNOLSKGDPY-PWSUYJOCSA-N -1 1 366.798 2.623 20 5 FFBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815031585 741886921 /nfs/dbraw/zinc/88/69/21/741886921.db2.gz XNCYYZKQCPGUDR-SSDOTTSWSA-N -1 1 356.828 2.807 20 5 FFBDMM COCC1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831426014 745527982 /nfs/dbraw/zinc/52/79/82/745527982.db2.gz PHHNQBIDDFHAAP-UHFFFAOYSA-N -1 1 369.226 2.749 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000848509862 748946283 /nfs/dbraw/zinc/94/62/83/748946283.db2.gz PAYJMUSLJGOFTF-WCQYABFASA-N -1 1 362.835 2.874 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000848513012 748947431 /nfs/dbraw/zinc/94/74/31/748947431.db2.gz MHQWGDREZUPCIQ-NSHDSACASA-N -1 1 358.391 2.504 20 5 FFBDMM CC(C)c1cc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000848582558 748965779 /nfs/dbraw/zinc/96/57/79/748965779.db2.gz FQFHAMKMUSFCCC-UHFFFAOYSA-N -1 1 355.297 2.994 20 5 FFBDMM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849423189 749147000 /nfs/dbraw/zinc/14/70/00/749147000.db2.gz JBBZJKWQUFIEAX-UHFFFAOYSA-N -1 1 362.423 2.590 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000849474288 749172966 /nfs/dbraw/zinc/17/29/66/749172966.db2.gz UBDCMQPHTIQQRJ-UHFFFAOYSA-N -1 1 364.345 2.980 20 5 FFBDMM CCS(=O)(=O)c1ccc(O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504554 1013241989 /nfs/dbraw/zinc/24/19/89/1013241989.db2.gz UKXQHWLWIHPSRX-UHFFFAOYSA-N -1 1 366.351 2.536 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2CCN(c3ccccc3)CC2)c1 ZINC000910345802 981909051 /nfs/dbraw/zinc/90/90/51/981909051.db2.gz NIXCPYYIBRQXER-UHFFFAOYSA-N -1 1 370.409 2.527 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001212194312 985916702 /nfs/dbraw/zinc/91/67/02/985916702.db2.gz SJZFBJHJNTYHJQ-ZETCQYMHSA-N -1 1 358.313 2.909 20 5 FFBDMM CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1(C(=O)[O-])CCCCC1 ZINC001598072653 990371077 /nfs/dbraw/zinc/37/10/77/990371077.db2.gz CCIVTHDCZHRCIB-UHFFFAOYSA-N -1 1 372.381 2.844 20 5 FFBDMM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001591423947 992513900 /nfs/dbraw/zinc/51/39/00/992513900.db2.gz WYBRKIWFDDUQOC-HNNXBMFYSA-N -1 1 360.370 2.556 20 5 FFBDMM COc1cccc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC001132551049 994995346 /nfs/dbraw/zinc/99/53/46/994995346.db2.gz RPHRUOOAEGDNRT-JTQLQIEISA-N -1 1 350.356 2.559 20 5 FFBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593738059 996343206 /nfs/dbraw/zinc/34/32/06/996343206.db2.gz OEVOJSYDGQELEI-COPLHBTASA-N -1 1 360.370 2.748 20 5 FFBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000744511892 999860860 /nfs/dbraw/zinc/86/08/60/999860860.db2.gz FMFLLCUHYXMRSS-UHFFFAOYSA-N -1 1 373.317 2.631 20 5 FFBDMM C[C@H](OC(=O)c1c([O-])cc(F)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000745523281 999917579 /nfs/dbraw/zinc/91/75/79/999917579.db2.gz YZJXKXHYTDIZIB-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000769887777 1000629872 /nfs/dbraw/zinc/62/98/72/1000629872.db2.gz MAFPYMIEEAVMLH-UHFFFAOYSA-N -1 1 370.361 2.633 20 5 FFBDMM O=C(CSc1ncnc2ccccc21)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000790610811 1002447186 /nfs/dbraw/zinc/44/71/86/1002447186.db2.gz WMVCTXDOICIEKW-UHFFFAOYSA-N -1 1 368.374 2.587 20 5 FFBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC(F)(F)C1 ZINC001194225418 1004683202 /nfs/dbraw/zinc/68/32/02/1004683202.db2.gz YATGSBCBEZYMAE-UHFFFAOYSA-N -1 1 354.762 2.962 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCCO1 ZINC001195545398 1004988229 /nfs/dbraw/zinc/98/82/29/1004988229.db2.gz SBPFVRLWXHFWHM-CYBMUJFWSA-N -1 1 366.798 2.625 20 5 FFBDMM COc1cccc(C(=O)NCCc2c(F)cc([O-])cc2F)c1[N+](=O)[O-] ZINC001178785136 1009125062 /nfs/dbraw/zinc/12/50/62/1009125062.db2.gz NVVSTSYRDJLCAT-UHFFFAOYSA-N -1 1 352.293 2.560 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000780071448 1019494079 /nfs/dbraw/zinc/49/40/79/1019494079.db2.gz HLTIXPIDAASVDL-VXGBXAGGSA-N -1 1 370.361 2.824 20 5 FFBDMM CCN(C(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000780073511 1019497835 /nfs/dbraw/zinc/49/78/35/1019497835.db2.gz AFDKPPKYDYVXIV-LBPRGKRZSA-N -1 1 358.350 2.899 20 5 FFBDMM C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161463408 1028187304 /nfs/dbraw/zinc/18/73/04/1028187304.db2.gz WHJDODFGXRBRSB-SNVBAGLBSA-N -1 1 372.356 2.687 20 5 FFBDMM C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161463407 1028188179 /nfs/dbraw/zinc/18/81/79/1028188179.db2.gz WHJDODFGXRBRSB-JTQLQIEISA-N -1 1 372.356 2.687 20 5 FFBDMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001138016519 1033564726 /nfs/dbraw/zinc/56/47/26/1033564726.db2.gz OMRJLIFHRDCEEW-UHFFFAOYSA-N -1 1 351.265 2.789 20 5 FFBDMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001138245187 1034012433 /nfs/dbraw/zinc/01/24/33/1034012433.db2.gz SZHPDHNAIUSNFH-ZDUSSCGKSA-N -1 1 367.155 2.735 20 5 FFBDMM O=c1cc[n-]c(O[C@H]2COc3c2cccc3Br)c1[N+](=O)[O-] ZINC001225664471 1034357733 /nfs/dbraw/zinc/35/77/33/1034357733.db2.gz OUVDLDMWOTYYRJ-JTQLQIEISA-N -1 1 353.128 2.970 20 5 FFBDMM O=c1cc[n-]c(OC[C@H]2Cc3cccc(Br)c3O2)c1[N+](=O)[O-] ZINC001225667006 1034359647 /nfs/dbraw/zinc/35/96/47/1034359647.db2.gz NHOBARZQUBPMRG-SECBINFHSA-N -1 1 367.155 2.840 20 5 FFBDMM C[C@@H]1OCc2c1nc(=O)[n-]c2OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001227716308 1035694732 /nfs/dbraw/zinc/69/47/32/1035694732.db2.gz OBSJPUHMDBBFDU-NSHDSACASA-N -1 1 372.381 2.729 20 5 FFBDMM CC(C)[C@H]1CC[C@@H](C)C[C@@]12OC[C@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])O2 ZINC001228142564 1035957989 /nfs/dbraw/zinc/95/79/89/1035957989.db2.gz FCLUMZQMNBNQIE-ZHRONYKTSA-N -1 1 367.402 2.673 20 5 FFBDMM COc1cc2ccc(=O)oc2c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC001229218558 1036557957 /nfs/dbraw/zinc/55/79/57/1036557957.db2.gz OAKORAQZSBWZCD-CQSZACIVSA-N -1 1 369.329 2.962 20 5 FFBDMM COc1cc2ccc(=O)oc2c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC001229218557 1036558217 /nfs/dbraw/zinc/55/82/17/1036558217.db2.gz OAKORAQZSBWZCD-AWEZNQCLSA-N -1 1 369.329 2.962 20 5 FFBDMM Cc1nc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378331 1036640153 /nfs/dbraw/zinc/64/01/53/1036640153.db2.gz KEOBGMWORRWNRX-JTQLQIEISA-N -1 1 374.231 2.989 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC001229398094 1036651401 /nfs/dbraw/zinc/65/14/01/1036651401.db2.gz PRUMDFXCECGBBO-NSHDSACASA-N -1 1 352.343 2.605 20 5 FFBDMM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751522 1036870735 /nfs/dbraw/zinc/87/07/35/1036870735.db2.gz VRKITLXQPGETKP-IHRRRGAJSA-N -1 1 357.403 2.833 20 5 FFBDMM COC(=O)c1cccc2[n-]c(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)nc21 ZINC001234039259 1036884587 /nfs/dbraw/zinc/88/45/87/1036884587.db2.gz LUNYRHGJGIQYOB-CYBMUJFWSA-N -1 1 353.334 2.804 20 5 FFBDMM COC(=O)c1cccc2nc(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[n-]c21 ZINC001234039259 1036884609 /nfs/dbraw/zinc/88/46/09/1036884609.db2.gz LUNYRHGJGIQYOB-CYBMUJFWSA-N -1 1 353.334 2.804 20 5 FFBDMM COC(=O)[C@H]1C[C@H](Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)C1 ZINC001229800968 1036905860 /nfs/dbraw/zinc/90/58/60/1036905860.db2.gz CLCFEPQEVYQRJT-HOMQSWHASA-N -1 1 356.330 2.688 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC001231260959 1037516759 /nfs/dbraw/zinc/51/67/59/1037516759.db2.gz XCRQSYLNTGNGBV-SKDRFNHKSA-N -1 1 353.375 2.638 20 5 FFBDMM COC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)n1 ZINC001210396420 1039522792 /nfs/dbraw/zinc/52/27/92/1039522792.db2.gz RDCGRBBXBUCHJS-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001248611164 1040340448 /nfs/dbraw/zinc/34/04/48/1040340448.db2.gz NZENHMQLGWDLNV-UHFFFAOYSA-N -1 1 371.758 2.964 20 5 FFBDMM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001213476075 1040586194 /nfs/dbraw/zinc/58/61/94/1040586194.db2.gz IQDORWNABOYRHI-UHFFFAOYSA-N -1 1 364.851 2.856 20 5 FFBDMM CC(C)(C(=O)Nc1ccc(Br)c([O-])c1)n1cc([N+](=O)[O-])cn1 ZINC001326930549 1047137970 /nfs/dbraw/zinc/13/79/70/1047137970.db2.gz LBOVYRWNYBFZTQ-UHFFFAOYSA-N -1 1 369.175 2.633 20 5 FFBDMM Cn1cc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cn1 ZINC001289589612 1047705965 /nfs/dbraw/zinc/70/59/65/1047705965.db2.gz VIDQYZYRDZPUBR-UHFFFAOYSA-N -1 1 364.774 2.753 20 5 FFBDMM O=C(N1CCC[C@H](c2n[n-]c(=O)o2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001296864133 1050101197 /nfs/dbraw/zinc/10/11/97/1050101197.db2.gz APZVLIZFELMDII-LBPRGKRZSA-N -1 1 372.381 2.511 20 5 FFBDMM COc1ccc(CC(=O)NCc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC001303298891 1051324131 /nfs/dbraw/zinc/32/41/31/1051324131.db2.gz LGDJSXZPKFTOKH-UHFFFAOYSA-N -1 1 350.758 2.821 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccc(O)cc2)cc1F ZINC001309214954 1052577011 /nfs/dbraw/zinc/57/70/11/1052577011.db2.gz ZMNPGBYTNLOQPH-UHFFFAOYSA-N -1 1 368.386 2.659 20 5 FFBDMM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001339077135 1056072891 /nfs/dbraw/zinc/07/28/91/1056072891.db2.gz IKMYMVILPNMABI-UHFFFAOYSA-N -1 1 352.144 2.897 20 5 FFBDMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001456197371 1060047856 /nfs/dbraw/zinc/04/78/56/1060047856.db2.gz QVLQFQUWTPWLAA-UHFFFAOYSA-N -1 1 354.284 2.999 20 5 FFBDMM CC[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475605693 1061161669 /nfs/dbraw/zinc/16/16/69/1061161669.db2.gz WSEYDFZWIISXNF-JGVFFNPUSA-N -1 1 371.242 2.729 20 5 FFBDMM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C(C)C)n1 ZINC001475808131 1061289117 /nfs/dbraw/zinc/28/91/17/1061289117.db2.gz ALLRAVWRBIXXGI-ZDUSSCGKSA-N -1 1 368.415 2.579 20 5 FFBDMM Cc1ccncc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001463747105 1062239238 /nfs/dbraw/zinc/23/92/38/1062239238.db2.gz ODMZMKIFIRFMIU-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM COCC1(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC1 ZINC001463755453 1062243318 /nfs/dbraw/zinc/24/33/18/1062243318.db2.gz NQOGOWYSSVZJFJ-UHFFFAOYSA-N -1 1 360.407 2.527 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C/C=C/c1cccnc1 ZINC001464057694 1062403167 /nfs/dbraw/zinc/40/31/67/1062403167.db2.gz HENAENYOLUJGPX-DUXPYHPUSA-N -1 1 353.787 2.635 20 5 FFBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC001464726204 1062784659 /nfs/dbraw/zinc/78/46/59/1062784659.db2.gz WQJKSXNDSIFLAA-CQSZACIVSA-N -1 1 372.834 2.657 20 5 FFBDMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001574692581 1078062957 /nfs/dbraw/zinc/06/29/57/1078062957.db2.gz XDGOARZNJREWJQ-ZDUSSCGKSA-N -1 1 372.381 2.844 20 5 FFBDMM COc1cccc(CSCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001472980972 1065178528 /nfs/dbraw/zinc/17/85/28/1065178528.db2.gz NCFQZHAIWWMTRX-UHFFFAOYSA-N -1 1 360.391 2.793 20 5 FFBDMM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001579252188 1078601978 /nfs/dbraw/zinc/60/19/78/1078601978.db2.gz HTFAZVJCAIPWFD-UHFFFAOYSA-N -1 1 352.326 2.751 20 5 FFBDMM CN(Cc1ccc(F)c(F)c1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001579252188 1078601982 /nfs/dbraw/zinc/60/19/82/1078601982.db2.gz HTFAZVJCAIPWFD-UHFFFAOYSA-N -1 1 352.326 2.751 20 5 FFBDMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001561399994 1076371942 /nfs/dbraw/zinc/37/19/42/1076371942.db2.gz AFXZJICGIIGJBW-VIFPVBQESA-N -1 1 371.390 2.729 20 5 FFBDMM COc1cnc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2C)[n-]c1=O ZINC001562661973 1076510353 /nfs/dbraw/zinc/51/03/53/1076510353.db2.gz UKXSUEFJMNARDR-ZDUSSCGKSA-N -1 1 373.369 2.776 20 5 FFBDMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001565779868 1076764348 /nfs/dbraw/zinc/76/43/48/1076764348.db2.gz WKSZAMGPHZRNHP-UHFFFAOYSA-N -1 1 374.744 2.593 20 5 FFBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000057498053 221090520 /nfs/dbraw/zinc/09/05/20/221090520.db2.gz FZDCLTWPCIIUQH-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM CC(=O)c1ccc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000290682466 257352660 /nfs/dbraw/zinc/35/26/60/257352660.db2.gz LMTOOWUVFQFFKR-LLVKDONJSA-N -1 1 373.331 2.692 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000290859735 257361259 /nfs/dbraw/zinc/36/12/59/257361259.db2.gz XGKCUPUGEVMWDS-HTQZYQBOSA-N -1 1 369.226 2.605 20 5 FFBDMM Cc1ncsc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295295428 511351734 /nfs/dbraw/zinc/35/17/34/511351734.db2.gz GWPYGPZQXAGYKO-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1[O-] ZINC000066046858 506415431 /nfs/dbraw/zinc/41/54/31/506415431.db2.gz SMRKOXGPTAWTPP-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1CO ZINC000054040949 506482023 /nfs/dbraw/zinc/48/20/23/506482023.db2.gz JGOQDZMXSMPEQQ-UHFFFAOYSA-N -1 1 366.395 2.595 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1C ZINC000007323178 506553079 /nfs/dbraw/zinc/55/30/79/506553079.db2.gz MMYYUUZKEOESDA-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651022 507893382 /nfs/dbraw/zinc/89/33/82/507893382.db2.gz CLOJLKWDAKXPHJ-UHFFFAOYSA-N -1 1 353.791 2.767 20 5 FFBDMM CCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000075639916 508125047 /nfs/dbraw/zinc/12/50/47/508125047.db2.gz IZRJKFLLFXLWKD-UHFFFAOYSA-N -1 1 351.222 2.824 20 5 FFBDMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000114499604 508323403 /nfs/dbraw/zinc/32/34/03/508323403.db2.gz SYKHONPYPSIQQD-UHFFFAOYSA-N -1 1 359.791 2.838 20 5 FFBDMM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000118438305 508651175 /nfs/dbraw/zinc/65/11/75/508651175.db2.gz UOUMBQDFUVBOND-MFKMUULPSA-N -1 1 362.473 2.776 20 5 FFBDMM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000158134222 508662142 /nfs/dbraw/zinc/66/21/42/508662142.db2.gz RBRUJUBNAVVVGI-MWLCHTKSSA-N -1 1 374.415 2.586 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccco3)on2)cc([N+](=O)[O-])c1 ZINC000118723427 508666595 /nfs/dbraw/zinc/66/65/95/508666595.db2.gz WHCFZFSVHPWJKA-UHFFFAOYSA-N -1 1 357.278 2.882 20 5 FFBDMM Cc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000137829549 508765177 /nfs/dbraw/zinc/76/51/77/508765177.db2.gz ITPJTOOLHMCBNK-UHFFFAOYSA-N -1 1 368.415 2.652 20 5 FFBDMM O=C([O-])CCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000119308282 508769411 /nfs/dbraw/zinc/76/94/11/508769411.db2.gz HOMWDBGNFADNKP-UHFFFAOYSA-N -1 1 361.320 2.600 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(C2CCCCC2)no1 ZINC000175858811 509183235 /nfs/dbraw/zinc/18/32/35/509183235.db2.gz UHIFESRHVQGMDR-VIFPVBQESA-N -1 1 361.358 2.617 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] ZINC000191796733 509183895 /nfs/dbraw/zinc/18/38/95/509183895.db2.gz JQINOXCDLMBSMV-UHFFFAOYSA-N -1 1 361.379 2.507 20 5 FFBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)on1 ZINC000185847500 509384431 /nfs/dbraw/zinc/38/44/31/509384431.db2.gz DPBCVRMKWXTENU-UHFFFAOYSA-N -1 1 353.400 2.965 20 5 FFBDMM COCCCn1ccc([N-]c2ncc([N+](=O)[O-])cc2Br)n1 ZINC000267252880 509412128 /nfs/dbraw/zinc/41/21/28/509412128.db2.gz OMKGCTBSWVOLCN-UHFFFAOYSA-N -1 1 356.180 2.729 20 5 FFBDMM O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164039212 509456583 /nfs/dbraw/zinc/45/65/83/509456583.db2.gz ZVDABSGINSXEDQ-CQSZACIVSA-N -1 1 361.423 2.929 20 5 FFBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)c([O-])c1 ZINC000179683742 509571376 /nfs/dbraw/zinc/57/13/76/509571376.db2.gz WTQWUUAUTHRINM-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nnc[nH]2)cc1 ZINC000186312235 509639821 /nfs/dbraw/zinc/63/98/21/509639821.db2.gz LKOALYLKRJUMOZ-UHFFFAOYSA-N -1 1 359.729 2.991 20 5 FFBDMM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000173717477 509736476 /nfs/dbraw/zinc/73/64/76/509736476.db2.gz SNEHUWDLVRWSPC-NSHDSACASA-N -1 1 356.425 2.711 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)s1 ZINC000180131278 509769220 /nfs/dbraw/zinc/76/92/20/509769220.db2.gz IGCZHJOMERTYKT-LLVKDONJSA-N -1 1 372.399 2.988 20 5 FFBDMM COc1ccccc1C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187043598 510025447 /nfs/dbraw/zinc/02/54/47/510025447.db2.gz ANLQICNAMNIYKL-CQSZACIVSA-N -1 1 357.366 2.551 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000171967116 510478098 /nfs/dbraw/zinc/47/80/98/510478098.db2.gz HUZQQGXFFHRKLL-LBPRGKRZSA-N -1 1 370.333 2.675 20 5 FFBDMM CN(Cc1csc(Br)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188282839 510686373 /nfs/dbraw/zinc/68/63/73/510686373.db2.gz PXIGZMHTFDFIRW-UHFFFAOYSA-N -1 1 372.200 2.792 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1[N+](=O)[O-] ZINC000172515358 510764340 /nfs/dbraw/zinc/76/43/40/510764340.db2.gz SMYAYSKGDACTBO-UHFFFAOYSA-N -1 1 361.379 2.896 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000282493264 510999094 /nfs/dbraw/zinc/99/90/94/510999094.db2.gz YKOVXISXSRBEDA-ZDUSSCGKSA-N -1 1 374.846 2.876 20 5 FFBDMM C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@H](C)O1 ZINC000298955311 511463960 /nfs/dbraw/zinc/46/39/60/511463960.db2.gz JCRZNPDUHZXLKX-CHWSQXEVSA-N -1 1 358.398 2.784 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CCOCC2)c1Cl ZINC000295774721 511512532 /nfs/dbraw/zinc/51/25/32/511512532.db2.gz SUUJRLNIGRCXCL-UHFFFAOYSA-N -1 1 369.226 2.607 20 5 FFBDMM Cn1[n-]cc2/c(=N\C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)ccnc1-2 ZINC000281088468 511715056 /nfs/dbraw/zinc/71/50/56/511715056.db2.gz DOBPWIDVWPWTTD-STZFKDTASA-N -1 1 353.382 2.800 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000324949473 511843145 /nfs/dbraw/zinc/84/31/45/511843145.db2.gz AVXOUGZQNNIPHK-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000326287226 511855458 /nfs/dbraw/zinc/85/54/58/511855458.db2.gz ZJZRGAOYTDTHCW-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000378028997 512555905 /nfs/dbraw/zinc/55/59/05/512555905.db2.gz HBORJDOZURRYHT-UHFFFAOYSA-N -1 1 372.418 2.752 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000374114910 512665742 /nfs/dbraw/zinc/66/57/42/512665742.db2.gz RYBGOQKJHNNPOK-UHFFFAOYSA-N -1 1 370.340 2.904 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000446511838 513274614 /nfs/dbraw/zinc/27/46/14/513274614.db2.gz IWHNMIDMDOXMOA-UHFFFAOYSA-N -1 1 372.768 2.960 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000434967961 513478426 /nfs/dbraw/zinc/47/84/26/513478426.db2.gz JICWUAFDVVAZQN-UHFFFAOYSA-N -1 1 374.378 2.794 20 5 FFBDMM CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cccc21 ZINC000447723967 513552537 /nfs/dbraw/zinc/55/25/37/513552537.db2.gz SHLQESZPFQYHFX-CQSZACIVSA-N -1 1 357.366 2.938 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccon1 ZINC000416455699 513780364 /nfs/dbraw/zinc/78/03/64/513780364.db2.gz UWLVLKNWAJYEBZ-ZETCQYMHSA-N -1 1 365.289 2.641 20 5 FFBDMM COc1ccc([C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000426826979 514050533 /nfs/dbraw/zinc/05/05/33/514050533.db2.gz UYWXEIXRPCGTRK-INIZCTEOSA-N -1 1 364.329 2.667 20 5 FFBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000444218370 514157826 /nfs/dbraw/zinc/15/78/26/514157826.db2.gz FXGNVMGLMYLGFS-WCBMZHEXSA-N -1 1 363.233 2.824 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(C)cc2[nH]1 ZINC000427634221 514271307 /nfs/dbraw/zinc/27/13/07/514271307.db2.gz QVIGWVKGMIBYRZ-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM CCn1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)n1 ZINC000427712464 514292168 /nfs/dbraw/zinc/29/21/68/514292168.db2.gz NMWPIUYACAHBCJ-UHFFFAOYSA-N -1 1 366.790 2.590 20 5 FFBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ncccc3[N+](=O)[O-])c2)n1 ZINC000432927017 514324322 /nfs/dbraw/zinc/32/43/22/514324322.db2.gz JIJVWEZVORKWAW-UHFFFAOYSA-N -1 1 368.353 2.564 20 5 FFBDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000508086800 514662036 /nfs/dbraw/zinc/66/20/36/514662036.db2.gz DPXWLLISQDEBAT-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000498910208 515113162 /nfs/dbraw/zinc/11/31/62/515113162.db2.gz YTJLCGGAMFPLGN-GFCCVEGCSA-N -1 1 366.782 2.854 20 5 FFBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccccc1Cl)OCCO2 ZINC000476809809 515203010 /nfs/dbraw/zinc/20/30/10/515203010.db2.gz SSWZPJUYMOVUGF-UHFFFAOYSA-N -1 1 370.770 2.820 20 5 FFBDMM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505997471 515746333 /nfs/dbraw/zinc/74/63/33/515746333.db2.gz NEYUUCIOGMUQNS-QGZVFWFLSA-N -1 1 371.393 2.910 20 5 FFBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1C ZINC000506584686 515923413 /nfs/dbraw/zinc/92/34/13/515923413.db2.gz NARDGVSJRPOKML-UHFFFAOYSA-N -1 1 364.379 2.881 20 5 FFBDMM CC(C)OC(=O)C[C@H](NC(=O)c1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000494890569 515998926 /nfs/dbraw/zinc/99/89/26/515998926.db2.gz GOSUIKIQWHCZDU-ZDUSSCGKSA-N -1 1 373.365 2.508 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000512498830 516296511 /nfs/dbraw/zinc/29/65/11/516296511.db2.gz HIFXXXCIABURJA-UHFFFAOYSA-N -1 1 359.357 2.929 20 5 FFBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000535691513 516450409 /nfs/dbraw/zinc/45/04/09/516450409.db2.gz GANPTCJOMUORGS-MRVPVSSYSA-N -1 1 373.822 2.529 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531451924 516472918 /nfs/dbraw/zinc/47/29/18/516472918.db2.gz OUQCZLOKXVDMPL-VHSXEESVSA-N -1 1 367.349 2.637 20 5 FFBDMM Cc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000523727542 516560118 /nfs/dbraw/zinc/56/01/18/516560118.db2.gz ZEJHDAGQZRIKSJ-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM COC(=O)c1cc(C)nc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc21 ZINC000518291519 516603504 /nfs/dbraw/zinc/60/35/04/516603504.db2.gz VXEDDARLHNEAPK-UHFFFAOYSA-N -1 1 362.323 2.540 20 5 FFBDMM COC(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)cc([N+](=O)[O-])c1 ZINC000551289503 516644874 /nfs/dbraw/zinc/64/48/74/516644874.db2.gz PWYLWBBAPGULCW-UHFFFAOYSA-N -1 1 350.714 2.993 20 5 FFBDMM O=C([O-])c1c(NS(=O)(=O)c2cc(F)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000548228938 516840059 /nfs/dbraw/zinc/84/00/59/516840059.db2.gz NFDBVUIGDGWLRI-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000555230842 516841120 /nfs/dbraw/zinc/84/11/20/516841120.db2.gz UFYVMTQGIQPOBR-LSDHHAIUSA-N -1 1 361.423 2.680 20 5 FFBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CO2 ZINC000532197913 516855135 /nfs/dbraw/zinc/85/51/35/516855135.db2.gz BSPLPSHMNFIWIH-CQSZACIVSA-N -1 1 362.407 2.932 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCc2ccccc21 ZINC000537019778 517004137 /nfs/dbraw/zinc/00/41/37/517004137.db2.gz SJJDXKLNGMHDMD-KRWDZBQOSA-N -1 1 361.423 2.562 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525688714 517117678 /nfs/dbraw/zinc/11/76/78/517117678.db2.gz ABJUATJNPRPYSI-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM O=C1CCCN1Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545723363 517344613 /nfs/dbraw/zinc/34/46/13/517344613.db2.gz XIAMNKDOECCSFT-UHFFFAOYSA-N -1 1 353.338 2.762 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000533632919 517552992 /nfs/dbraw/zinc/55/29/92/517552992.db2.gz ODQAFZYFBRFWMZ-LBPRGKRZSA-N -1 1 372.834 2.894 20 5 FFBDMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000538848007 517807798 /nfs/dbraw/zinc/80/77/98/517807798.db2.gz SVEJUKPWANZGCZ-YMTOWFKASA-N -1 1 374.415 2.850 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)s1 ZINC000521771078 517849731 /nfs/dbraw/zinc/84/97/31/517849731.db2.gz WMTGRUHLSMLNOL-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1[O-] ZINC000522239251 518043958 /nfs/dbraw/zinc/04/39/58/518043958.db2.gz TWQYJVPAILDDLC-UHFFFAOYSA-N -1 1 351.156 2.993 20 5 FFBDMM Cc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000539855730 518172397 /nfs/dbraw/zinc/17/23/97/518172397.db2.gz STCYORUSEMMGRX-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000566919185 518266386 /nfs/dbraw/zinc/26/63/86/518266386.db2.gz YKYCXGPEZPWDDA-GFCCVEGCSA-N -1 1 356.382 2.547 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000584814506 518488636 /nfs/dbraw/zinc/48/86/36/518488636.db2.gz RARWRNMBIBXXHA-JSGCOSHPSA-N -1 1 365.386 2.744 20 5 FFBDMM Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C1)CCCC2 ZINC000586809442 518649934 /nfs/dbraw/zinc/64/99/34/518649934.db2.gz LKHMGQVYNXJLEK-ZDUSSCGKSA-N -1 1 370.409 2.771 20 5 FFBDMM COc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000567898235 518774550 /nfs/dbraw/zinc/77/45/50/518774550.db2.gz GHQXTHQXDRZOQL-ONGXEEELSA-N -1 1 374.340 2.747 20 5 FFBDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594849577 520187095 /nfs/dbraw/zinc/18/70/95/520187095.db2.gz PEYYQBFYYOCTOI-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000595352934 520423936 /nfs/dbraw/zinc/42/39/36/520423936.db2.gz GPJMTHKVETUXOA-LSDHHAIUSA-N -1 1 370.452 2.693 20 5 FFBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000610212062 520582259 /nfs/dbraw/zinc/58/22/59/520582259.db2.gz JGCWQBNDEVMESO-HNNXBMFYSA-N -1 1 365.411 2.674 20 5 FFBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C12CCC2 ZINC000610266627 520612782 /nfs/dbraw/zinc/61/27/82/520612782.db2.gz IBSDORXJENYNDG-STQMWFEESA-N -1 1 374.846 2.874 20 5 FFBDMM CN(CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000610337727 520641032 /nfs/dbraw/zinc/64/10/32/520641032.db2.gz LOLJHJXWDWFZNZ-UHFFFAOYSA-N -1 1 357.395 2.543 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2F)CCC1 ZINC000593617160 521109414 /nfs/dbraw/zinc/10/94/14/521109414.db2.gz YDFVESKNJBGJMW-UHFFFAOYSA-N -1 1 365.386 2.529 20 5 FFBDMM C[C@@H]1CN(Cc2ccccc2)C[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)O1 ZINC000596613183 521166564 /nfs/dbraw/zinc/16/65/64/521166564.db2.gz DFDYOFAEKAUFLT-IUODEOHRSA-N -1 1 369.381 2.935 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)s1 ZINC000599467233 521242142 /nfs/dbraw/zinc/24/21/42/521242142.db2.gz UNVHNDQWNIBGHT-BIGNPOOSSA-N -1 1 370.839 2.926 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000823651960 599217364 /nfs/dbraw/zinc/21/73/64/599217364.db2.gz TWZKOUJIEUBWQU-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000823651960 599217367 /nfs/dbraw/zinc/21/73/67/599217367.db2.gz TWZKOUJIEUBWQU-UHFFFAOYSA-N -1 1 363.677 2.524 20 5 FFBDMM Cc1cccc(OCCN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1 ZINC000826300113 607452433 /nfs/dbraw/zinc/45/24/33/607452433.db2.gz JDCUOIFFDGXZIB-UHFFFAOYSA-N -1 1 354.370 2.599 20 5 FFBDMM Cc1cccc(OCCN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000826300113 607452435 /nfs/dbraw/zinc/45/24/35/607452435.db2.gz JDCUOIFFDGXZIB-UHFFFAOYSA-N -1 1 354.370 2.599 20 5 FFBDMM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262174826 602053618 /nfs/dbraw/zinc/05/36/18/602053618.db2.gz ODWNPDMCLDZDGY-WCQYABFASA-N -1 1 360.370 2.625 20 5 FFBDMM C[C@H](NC(=O)[O-])C1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000739013302 602424610 /nfs/dbraw/zinc/42/46/10/602424610.db2.gz DZCQYFVFLDJJGQ-ZDUSSCGKSA-N -1 1 373.413 2.784 20 5 FFBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738867074 602543098 /nfs/dbraw/zinc/54/30/98/602543098.db2.gz WALCTOIRGUPZLQ-CYBMUJFWSA-N -1 1 351.403 2.814 20 5 FFBDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000833814177 605395741 /nfs/dbraw/zinc/39/57/41/605395741.db2.gz ROXMDDAZTFXWME-UKRRQHHQSA-N -1 1 373.413 2.784 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1csc2ccccc12 ZINC000823625020 606698758 /nfs/dbraw/zinc/69/87/58/606698758.db2.gz OAMQHELEKSTANO-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1csc2ccccc12 ZINC000823625020 606698760 /nfs/dbraw/zinc/69/87/60/606698760.db2.gz OAMQHELEKSTANO-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](c2ccccc2)CC1 ZINC000823620295 606707396 /nfs/dbraw/zinc/70/73/96/606707396.db2.gz JQXKWKZQMYOALW-AWEZNQCLSA-N -1 1 365.397 2.944 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](c2ccccc2)CC1 ZINC000823620295 606707397 /nfs/dbraw/zinc/70/73/97/606707397.db2.gz JQXKWKZQMYOALW-AWEZNQCLSA-N -1 1 365.397 2.944 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2cccc(Cl)c2)CC1 ZINC000823620706 606713117 /nfs/dbraw/zinc/71/31/17/606713117.db2.gz OPJAJBSOKJOENE-UHFFFAOYSA-N -1 1 371.788 2.967 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2cccc(Cl)c2)CC1 ZINC000823620706 606713119 /nfs/dbraw/zinc/71/31/19/606713119.db2.gz OPJAJBSOKJOENE-UHFFFAOYSA-N -1 1 371.788 2.967 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000823629994 607166578 /nfs/dbraw/zinc/16/65/78/607166578.db2.gz OZRJNBABKDQFGB-UHFFFAOYSA-N -1 1 366.366 2.711 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nc(-c2ccccc2)c[nH]1 ZINC000823629994 607166579 /nfs/dbraw/zinc/16/65/79/607166579.db2.gz OZRJNBABKDQFGB-UHFFFAOYSA-N -1 1 366.366 2.711 20 5 FFBDMM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158136127 728882974 /nfs/dbraw/zinc/88/29/74/728882974.db2.gz FEYUGKSDHWATRE-DTWKUNHWSA-N -1 1 362.454 2.508 20 5 FFBDMM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119712574 728598975 /nfs/dbraw/zinc/59/89/75/728598975.db2.gz ACHDFKFXZWESFJ-UHFFFAOYSA-N -1 1 356.425 2.879 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000121578091 728631598 /nfs/dbraw/zinc/63/15/98/728631598.db2.gz JMYWLVYIKSEVKK-UHFFFAOYSA-N -1 1 368.143 2.719 20 5 FFBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000132279544 728724163 /nfs/dbraw/zinc/72/41/63/728724163.db2.gz YCDITXSJHRGQNH-WPRPVWTQSA-N -1 1 363.233 2.824 20 5 FFBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nc(C3(C)CC3)ns2)cc1[N+](=O)[O-] ZINC000862611209 730712131 /nfs/dbraw/zinc/71/21/31/730712131.db2.gz NAUVVZPGTZPPNH-UHFFFAOYSA-N -1 1 363.355 2.967 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)cc1F ZINC000867203370 731154473 /nfs/dbraw/zinc/15/44/73/731154473.db2.gz SAQFDVCKQLVJHQ-UHFFFAOYSA-N -1 1 360.407 2.526 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)cc1F ZINC000867231954 731158429 /nfs/dbraw/zinc/15/84/29/731158429.db2.gz GCNZDLGIIRJZJD-OAHLLOKOSA-N -1 1 372.418 2.670 20 5 FFBDMM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000918746903 737823413 /nfs/dbraw/zinc/82/34/13/737823413.db2.gz LJVWBSDZAQECQA-SNVBAGLBSA-N -1 1 372.349 2.619 20 5 FFBDMM CCOc1cc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000872167654 731736774 /nfs/dbraw/zinc/73/67/74/731736774.db2.gz DATDBJIAPWXNSB-QWRGUYRKSA-N -1 1 362.304 2.688 20 5 FFBDMM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826374 734394268 /nfs/dbraw/zinc/39/42/68/734394268.db2.gz QIHWNAZPAMBQCQ-LLVKDONJSA-N -1 1 370.814 2.994 20 5 FFBDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000784418582 738889820 /nfs/dbraw/zinc/88/98/20/738889820.db2.gz QWDAQHJFAXFBKL-QWRGUYRKSA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000761946940 736775356 /nfs/dbraw/zinc/77/53/56/736775356.db2.gz OJWBRMKLGHFATJ-NSHDSACASA-N -1 1 372.761 2.799 20 5 FFBDMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc2[nH]ncc21 ZINC000766328801 737219515 /nfs/dbraw/zinc/21/95/15/737219515.db2.gz GPVCCJPEOFBPNQ-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM CCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768805695 737460150 /nfs/dbraw/zinc/46/01/50/737460150.db2.gz RNPHVEWYNFOLGQ-UHFFFAOYSA-N -1 1 372.424 2.542 20 5 FFBDMM C[C@@H](Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000768891594 737473587 /nfs/dbraw/zinc/47/35/87/737473587.db2.gz QGNIQJIXDAEISO-VIFPVBQESA-N -1 1 370.408 2.720 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC1CCCCCCC1 ZINC000769049643 737489829 /nfs/dbraw/zinc/48/98/29/737489829.db2.gz PTLAQOARHXQCAY-UHFFFAOYSA-N -1 1 350.371 2.686 20 5 FFBDMM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918624059 737814786 /nfs/dbraw/zinc/81/47/86/737814786.db2.gz MXAOKPMXGIPUOB-UHFFFAOYSA-N -1 1 350.762 2.967 20 5 FFBDMM O=C(COC(=O)c1ccc([O-])cc1F)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000773567634 737920729 /nfs/dbraw/zinc/92/07/29/737920729.db2.gz CBCKGWDCJSCHSD-UHFFFAOYSA-N -1 1 368.704 2.888 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CCC2(CCC2)O1 ZINC000921931666 738068567 /nfs/dbraw/zinc/06/85/67/738068567.db2.gz AJDYQMRJWBIIOH-NSHDSACASA-N -1 1 358.391 2.504 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000790638897 739478382 /nfs/dbraw/zinc/47/83/82/739478382.db2.gz DQHRRMIDVIODNP-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000797458133 740248700 /nfs/dbraw/zinc/24/87/00/740248700.db2.gz ZTJOLAQXIPNXAO-MRVPVSSYSA-N -1 1 354.762 2.962 20 5 FFBDMM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823835 741348952 /nfs/dbraw/zinc/34/89/52/741348952.db2.gz UJFNZICZBZCJSI-SECBINFHSA-N -1 1 373.793 2.692 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000809827760 741349723 /nfs/dbraw/zinc/34/97/23/741349723.db2.gz DMIIMBUPNIZQBS-PWSUYJOCSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000809829655 741350355 /nfs/dbraw/zinc/35/03/55/741350355.db2.gz FUTIKRBAGIXNKU-AYMMMOKOSA-N -1 1 366.798 2.622 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c(Cl)cc1Cl ZINC000809835135 741351611 /nfs/dbraw/zinc/35/16/11/741351611.db2.gz IHIVOGPYNXFAQG-QMMMGPOBSA-N -1 1 367.210 2.873 20 5 FFBDMM CNC(=O)Oc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000813631786 741741661 /nfs/dbraw/zinc/74/16/61/741741661.db2.gz BUUDIKIVEYWZOH-UHFFFAOYSA-N -1 1 371.396 2.522 20 5 FFBDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000813756441 741759759 /nfs/dbraw/zinc/75/97/59/741759759.db2.gz FEZGUYWGDYBIDF-UHFFFAOYSA-N -1 1 372.834 2.504 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000814980535 741878735 /nfs/dbraw/zinc/87/87/35/741878735.db2.gz OTIIFOJEAFFQSO-QMMMGPOBSA-N -1 1 359.766 2.822 20 5 FFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021366 741884432 /nfs/dbraw/zinc/88/44/32/741884432.db2.gz NPZVBRKYSCFCGR-QMMMGPOBSA-N -1 1 368.814 2.869 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000815027933 741885858 /nfs/dbraw/zinc/88/58/58/741885858.db2.gz ZYCWXNOLSKGDPY-JQWIXIFHSA-N -1 1 366.798 2.623 20 5 FFBDMM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032176 741886928 /nfs/dbraw/zinc/88/69/28/741886928.db2.gz OWNNIEWXHZOUCC-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000815044951 741890087 /nfs/dbraw/zinc/89/00/87/741890087.db2.gz LZRXIPBFIWKRBH-QMMMGPOBSA-N -1 1 368.839 2.809 20 5 FFBDMM O=C([O-])CC[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000818328326 742263641 /nfs/dbraw/zinc/26/36/41/742263641.db2.gz APGNGVKDITZTQX-GFCCVEGCSA-N -1 1 369.805 2.906 20 5 FFBDMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)O1 ZINC000841536004 747388912 /nfs/dbraw/zinc/38/89/12/747388912.db2.gz YJNZFJLIOYTKHN-HTQZYQBOSA-N -1 1 369.226 2.747 20 5 FFBDMM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000841564444 747403261 /nfs/dbraw/zinc/40/32/61/747403261.db2.gz SMHRBCCSHCPLDC-MRVPVSSYSA-N -1 1 366.798 2.623 20 5 FFBDMM COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)[C@@H](C)[N+](=O)[O-])[n-]1 ZINC000845877101 748342559 /nfs/dbraw/zinc/34/25/59/748342559.db2.gz DRZQGTXCEJXPNG-YMTOWFKASA-N -1 1 350.302 2.504 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000848509863 748946714 /nfs/dbraw/zinc/94/67/14/748946714.db2.gz PAYJMUSLJGOFTF-YPMHNXCESA-N -1 1 362.835 2.874 20 5 FFBDMM CCc1nc(C)c(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000848590765 748968533 /nfs/dbraw/zinc/96/85/33/748968533.db2.gz QLHMODSJNKQSFN-UHFFFAOYSA-N -1 1 355.297 2.742 20 5 FFBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000011443657 845019003 /nfs/dbraw/zinc/01/90/03/845019003.db2.gz WNNLYCNYJXDWPC-UHFFFAOYSA-N -1 1 366.374 2.913 20 5 FFBDMM CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000042187910 845082030 /nfs/dbraw/zinc/08/20/30/845082030.db2.gz VIECZSKWFUDHMX-UHFFFAOYSA-N -1 1 363.233 2.968 20 5 FFBDMM O=C([O-])CC[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001595016719 951292502 /nfs/dbraw/zinc/29/25/02/951292502.db2.gz FSIUWORWBYGKMB-GFCCVEGCSA-N -1 1 360.370 2.722 20 5 FFBDMM CCc1cc2c(COC(=O)c3ccc([N+](=O)[O-])o3)cc(=O)oc2cc1[O-] ZINC000010922432 1013343049 /nfs/dbraw/zinc/34/30/49/1013343049.db2.gz KDOKYXLOYPFGKX-UHFFFAOYSA-N -1 1 359.290 2.919 20 5 FFBDMM O=[N+]([O-])c1c2[nH]cnc2ccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167940374 978251879 /nfs/dbraw/zinc/25/18/79/978251879.db2.gz VIVOCEQMVMJXOE-UHFFFAOYSA-N -1 1 374.293 2.556 20 5 FFBDMM Cc1cc(F)cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC000760384595 982383615 /nfs/dbraw/zinc/38/36/15/982383615.db2.gz DEUVZLICMDRXOJ-UHFFFAOYSA-N -1 1 355.329 2.934 20 5 FFBDMM CCOc1ccc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001597105355 986736637 /nfs/dbraw/zinc/73/66/37/986736637.db2.gz LVEIMBQZLGIOLT-UHFFFAOYSA-N -1 1 360.366 2.747 20 5 FFBDMM C[C@@](NCc1cccc2[nH]c(=O)oc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303596 994735621 /nfs/dbraw/zinc/73/56/21/994735621.db2.gz HIUOKPBCRSHGBT-KRWDZBQOSA-N -1 1 357.322 2.531 20 5 FFBDMM Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769046778 1000412743 /nfs/dbraw/zinc/41/27/43/1000412743.db2.gz MBTZYQBMALWZRF-CYBMUJFWSA-N -1 1 372.377 2.951 20 5 FFBDMM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c([N+](=O)[O-])cc1OC ZINC000005670015 1010569690 /nfs/dbraw/zinc/56/96/90/1010569690.db2.gz BOEYBZWQVCWSJV-UHFFFAOYSA-N -1 1 365.273 2.912 20 5 FFBDMM O=C(O[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072272 1019503878 /nfs/dbraw/zinc/50/38/78/1019503878.db2.gz OMONFOIZDYDNEO-KRWDZBQOSA-N -1 1 370.361 2.648 20 5 FFBDMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000756723435 1023750320 /nfs/dbraw/zinc/75/03/20/1023750320.db2.gz LCROYIMOQCMFKV-UHFFFAOYSA-N -1 1 372.322 2.669 20 5 FFBDMM COC(=O)c1cc(C(C)=O)c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001534728588 1069677429 /nfs/dbraw/zinc/67/74/29/1069677429.db2.gz WYRVBNQUWVRWPL-UONOGXRCSA-N -1 1 371.349 2.654 20 5 FFBDMM COc1cc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c([N+](=O)[O-])cc1F ZINC001535016553 1069715181 /nfs/dbraw/zinc/71/51/81/1069715181.db2.gz XFDBPNAWRUJASG-UHFFFAOYSA-N -1 1 365.708 2.691 20 5 FFBDMM O=C(c1ncc2ccccc2c1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247481 1034016500 /nfs/dbraw/zinc/01/65/00/1034016500.db2.gz OPDBIXJFLZAGHS-UHFFFAOYSA-N -1 1 365.345 2.752 20 5 FFBDMM CS(=O)(=O)C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC001225667086 1034360063 /nfs/dbraw/zinc/36/00/63/1034360063.db2.gz PBMPCVXTDYPVEL-GFCCVEGCSA-N -1 1 372.786 2.514 20 5 FFBDMM COc1cnc(=S)[n-]c1OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001226242017 1034588226 /nfs/dbraw/zinc/58/82/26/1034588226.db2.gz GMGRICJSOIGGMT-UHFFFAOYSA-N -1 1 362.411 2.730 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1ncccc1F ZINC001226311181 1034625596 /nfs/dbraw/zinc/62/55/96/1034625596.db2.gz UKUXUHSKSJDQRQ-MRVPVSSYSA-N -1 1 351.290 2.546 20 5 FFBDMM Cc1nc(=O)[n-]c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1Br ZINC001226781576 1034836407 /nfs/dbraw/zinc/83/64/07/1034836407.db2.gz KAFNHDOQTWLSIA-LLVKDONJSA-N -1 1 366.171 2.708 20 5 FFBDMM C[C@H]1COCC[C@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234748720 1037163683 /nfs/dbraw/zinc/16/36/83/1037163683.db2.gz JRCJQDLBOTXFLH-LKFCYVNXSA-N -1 1 358.346 2.867 20 5 FFBDMM O=S(=O)(Oc1cccc2nc3ccccc3nc21)c1c[n-]nc1Cl ZINC001214088910 1041231740 /nfs/dbraw/zinc/23/17/40/1041231740.db2.gz OYSUAKZXLOIXML-UHFFFAOYSA-N -1 1 360.782 2.927 20 5 FFBDMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001450892643 1059060358 /nfs/dbraw/zinc/06/03/58/1059060358.db2.gz BMXVDNOCDSDHNO-OAHLLOKOSA-N -1 1 363.276 2.710 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC12CCCC2 ZINC001475765736 1061260141 /nfs/dbraw/zinc/26/01/41/1061260141.db2.gz CZAJQFPNOKXFGD-ZDUSSCGKSA-N -1 1 360.819 2.628 20 5 FFBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc([O-])c(F)c3F)C2)nc1 ZINC001461869729 1061433062 /nfs/dbraw/zinc/43/30/62/1061433062.db2.gz KNMZYIFJDDIYPF-LLVKDONJSA-N -1 1 350.325 2.660 20 5 FFBDMM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001463108771 1061940609 /nfs/dbraw/zinc/94/06/09/1061940609.db2.gz DGCWUEVOQPJXMR-LLVKDONJSA-N -1 1 371.242 2.587 20 5 FFBDMM Cn1c(Cl)cnc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC001470091969 1064256011 /nfs/dbraw/zinc/25/60/11/1064256011.db2.gz XZZUAYTZOGPPSB-UHFFFAOYSA-N -1 1 352.763 2.686 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1COc2cc(F)cc(F)c21 ZINC001582804850 1079111528 /nfs/dbraw/zinc/11/15/28/1079111528.db2.gz OKQGHHWVKAQHSS-MRVPVSSYSA-N -1 1 366.309 2.660 20 5 FFBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1COc2cc(F)cc(F)c21 ZINC001582804850 1079111531 /nfs/dbraw/zinc/11/15/31/1079111531.db2.gz OKQGHHWVKAQHSS-MRVPVSSYSA-N -1 1 366.309 2.660 20 5 FFBDMM CC(=O)N(C)c1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001588800165 1080201559 /nfs/dbraw/zinc/20/15/59/1080201559.db2.gz FNYSXVIJHZBDBT-UHFFFAOYSA-N -1 1 353.342 2.501 20 5 FFBDMM CC(=O)N(C)c1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001588800165 1080201569 /nfs/dbraw/zinc/20/15/69/1080201569.db2.gz FNYSXVIJHZBDBT-UHFFFAOYSA-N -1 1 353.342 2.501 20 5 FFBDMM CC(=O)c1ccc(CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001588915266 1080261495 /nfs/dbraw/zinc/26/14/95/1080261495.db2.gz YGYBWQGHKVRDQF-UHFFFAOYSA-N -1 1 352.354 2.632 20 5 FFBDMM CC(=O)c1ccc(CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001588915266 1080261503 /nfs/dbraw/zinc/26/15/03/1080261503.db2.gz YGYBWQGHKVRDQF-UHFFFAOYSA-N -1 1 352.354 2.632 20 5 FFBDMM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590255803 1081127068 /nfs/dbraw/zinc/12/70/68/1081127068.db2.gz XVQFNVLNZQJKNN-ONGXEEELSA-N -1 1 352.420 2.844 20 5 FFBDMM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590255803 1081127076 /nfs/dbraw/zinc/12/70/76/1081127076.db2.gz XVQFNVLNZQJKNN-ONGXEEELSA-N -1 1 352.420 2.844 20 5 FFBDMM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001456 506409980 /nfs/dbraw/zinc/40/99/80/506409980.db2.gz RELXAGWUCRDUHD-VIFPVBQESA-N -1 1 360.388 2.541 20 5 FFBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025375074 507495037 /nfs/dbraw/zinc/49/50/37/507495037.db2.gz BELSEPDDBZWXKH-ZJUUUORDSA-N -1 1 352.334 2.994 20 5 FFBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c1[N+](=O)[O-] ZINC000108247502 507882700 /nfs/dbraw/zinc/88/27/00/507882700.db2.gz KFSFTAKDUKZDGQ-UHFFFAOYSA-N -1 1 372.410 2.640 20 5 FFBDMM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccncc1 ZINC000092264011 508055685 /nfs/dbraw/zinc/05/56/85/508055685.db2.gz CNLCVWZXQHRCBR-UHFFFAOYSA-N -1 1 369.830 2.899 20 5 FFBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1[N+](=O)[O-] ZINC000103420682 508310849 /nfs/dbraw/zinc/31/08/49/508310849.db2.gz QLBLYARPVANGFN-UHFFFAOYSA-N -1 1 364.431 2.863 20 5 FFBDMM Cc1ccc2c([O-])c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cnc2n1 ZINC000088463821 508372177 /nfs/dbraw/zinc/37/21/77/508372177.db2.gz CVDAPATZUNDUAX-UHFFFAOYSA-N -1 1 364.361 2.751 20 5 FFBDMM Cc1ccc2c(=O)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c[n-]c2n1 ZINC000088463821 508372178 /nfs/dbraw/zinc/37/21/78/508372178.db2.gz CVDAPATZUNDUAX-UHFFFAOYSA-N -1 1 364.361 2.751 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000115313152 508383986 /nfs/dbraw/zinc/38/39/86/508383986.db2.gz BRYSTXNACTVXOY-HSZRJFAPSA-N -1 1 368.436 2.583 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000134647350 508554792 /nfs/dbraw/zinc/55/47/92/508554792.db2.gz DJRDFBWYUXRJTO-NSHDSACASA-N -1 1 358.391 2.504 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000129167603 508692412 /nfs/dbraw/zinc/69/24/12/508692412.db2.gz QUIHVEIEGGDHIO-GFCCVEGCSA-N -1 1 352.334 2.994 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)s1 ZINC000158377095 508695769 /nfs/dbraw/zinc/69/57/69/508695769.db2.gz QCZMNIWYDSABPX-UHFFFAOYSA-N -1 1 352.437 2.958 20 5 FFBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155031161 508907641 /nfs/dbraw/zinc/90/76/41/508907641.db2.gz LTNZVXVKAAYZGS-CYBMUJFWSA-N -1 1 364.851 2.570 20 5 FFBDMM COc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000156108622 509128687 /nfs/dbraw/zinc/12/86/87/509128687.db2.gz BNHVVCVMJBCNPH-UHFFFAOYSA-N -1 1 371.393 2.799 20 5 FFBDMM CCc1[nH]nc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000176190206 509368464 /nfs/dbraw/zinc/36/84/64/509368464.db2.gz OEJOJDKLBUOODA-UHFFFAOYSA-N -1 1 355.148 2.601 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)o1 ZINC000182814851 509439297 /nfs/dbraw/zinc/43/92/97/509439297.db2.gz QPXUNPIAKUJSAG-UHFFFAOYSA-N -1 1 362.367 2.996 20 5 FFBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000173461704 509614483 /nfs/dbraw/zinc/61/44/83/509614483.db2.gz JZNCSLJAALHMFC-ZDUSSCGKSA-N -1 1 353.425 2.789 20 5 FFBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000173484318 509629135 /nfs/dbraw/zinc/62/91/35/509629135.db2.gz UNMITSYUSHLIAT-CYBMUJFWSA-N -1 1 353.425 2.789 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(OCc2ccccc2)CC1 ZINC000186914456 509947543 /nfs/dbraw/zinc/94/75/43/509947543.db2.gz HXOIQXLNMWXEFR-UHFFFAOYSA-N -1 1 357.366 2.517 20 5 FFBDMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000187122885 510069747 /nfs/dbraw/zinc/06/97/47/510069747.db2.gz FPFGOBGVGINMPH-SECBINFHSA-N -1 1 350.400 2.856 20 5 FFBDMM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194014784 510174780 /nfs/dbraw/zinc/17/47/80/510174780.db2.gz DXXQIXSECGIDJQ-GFCCVEGCSA-N -1 1 357.366 2.554 20 5 FFBDMM C[C@H](Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)N(C)C(=O)OC(C)(C)C ZINC000269380912 510373532 /nfs/dbraw/zinc/37/35/32/510373532.db2.gz VHMNETMISOBWKR-SECBINFHSA-N -1 1 351.363 2.771 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000175276994 510566526 /nfs/dbraw/zinc/56/65/26/510566526.db2.gz UEDGGOJIKIPXMA-INIZCTEOSA-N -1 1 371.393 2.559 20 5 FFBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000271203203 511119189 /nfs/dbraw/zinc/11/91/89/511119189.db2.gz JLUMRLBYBNYRCS-UHFFFAOYSA-N -1 1 366.395 2.859 20 5 FFBDMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295087424 511277715 /nfs/dbraw/zinc/27/77/15/511277715.db2.gz FNIKFEBKRQAESQ-SGJFDWMWSA-N -1 1 369.226 2.507 20 5 FFBDMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295090867 511279127 /nfs/dbraw/zinc/27/91/27/511279127.db2.gz ACTALQUGANKLAJ-BQBZGAKWSA-N -1 1 357.215 2.603 20 5 FFBDMM CN(C)c1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000365290676 511362730 /nfs/dbraw/zinc/36/27/30/511362730.db2.gz FAARGOFVKWLEBN-UHFFFAOYSA-N -1 1 370.409 2.781 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000298657200 511364804 /nfs/dbraw/zinc/36/48/04/511364804.db2.gz NXABQZAOTWFXNY-UHFFFAOYSA-N -1 1 364.379 2.865 20 5 FFBDMM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000320553298 511814903 /nfs/dbraw/zinc/81/49/03/511814903.db2.gz DJMCPOZJKZSKSA-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1OCCc2sccc21 ZINC000366225564 511911248 /nfs/dbraw/zinc/91/12/48/511911248.db2.gz FUJRHTMREHDURP-OQPBUACISA-N -1 1 374.465 2.699 20 5 FFBDMM COc1ccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000274903177 511981599 /nfs/dbraw/zinc/98/15/99/511981599.db2.gz QLDDKOOTCUEMOC-CQSZACIVSA-N -1 1 373.365 2.690 20 5 FFBDMM COc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])cc1O ZINC000417635853 513128367 /nfs/dbraw/zinc/12/83/67/513128367.db2.gz WYFIANNEHMLBKT-ZIAGYGMSSA-N -1 1 358.350 2.712 20 5 FFBDMM CCOc1ncc(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451070728 513497269 /nfs/dbraw/zinc/49/72/69/513497269.db2.gz JMCCGIVNWOGWSC-UHFFFAOYSA-N -1 1 365.411 2.681 20 5 FFBDMM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cccc21 ZINC000447720638 513551109 /nfs/dbraw/zinc/55/11/09/513551109.db2.gz COILOABJSPDFFH-AWEZNQCLSA-N -1 1 357.366 2.938 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000436501541 513874531 /nfs/dbraw/zinc/87/45/31/513874531.db2.gz AHOKAMFTKIEUNC-UHFFFAOYSA-N -1 1 355.306 2.821 20 5 FFBDMM COc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc(Cl)c1[O-] ZINC000443141501 513886056 /nfs/dbraw/zinc/88/60/56/513886056.db2.gz ZUGKRHUCNOLFLI-UHFFFAOYSA-N -1 1 363.757 2.556 20 5 FFBDMM Cc1cc(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000432205730 514126226 /nfs/dbraw/zinc/12/62/26/514126226.db2.gz BOZMKQKWDUQCGH-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM CC[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000420619718 514202301 /nfs/dbraw/zinc/20/23/01/514202301.db2.gz AOBLFMJMQLTPRE-CYBMUJFWSA-N -1 1 365.411 2.578 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000444851450 514350830 /nfs/dbraw/zinc/35/08/30/514350830.db2.gz RZBFKKNQMQNXOQ-QMMMGPOBSA-N -1 1 353.281 2.788 20 5 FFBDMM COC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000452743585 514481225 /nfs/dbraw/zinc/48/12/25/514481225.db2.gz AXICJYDPKSTPLG-NSHDSACASA-N -1 1 365.773 2.509 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000502843722 514806140 /nfs/dbraw/zinc/80/61/40/514806140.db2.gz JTVFVHAEHPNWOV-UHFFFAOYSA-N -1 1 357.351 2.769 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000499266203 515261603 /nfs/dbraw/zinc/26/16/03/515261603.db2.gz NLESUVASNWYXMV-UHFFFAOYSA-N -1 1 358.759 2.769 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000499302705 515275347 /nfs/dbraw/zinc/27/53/47/515275347.db2.gz UOJSQDHTCNHLAW-UHFFFAOYSA-N -1 1 358.759 2.769 20 5 FFBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000464639913 515904835 /nfs/dbraw/zinc/90/48/35/515904835.db2.gz WVJXPCLSZOOEEB-UHFFFAOYSA-N -1 1 361.745 2.942 20 5 FFBDMM Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000512561490 516305136 /nfs/dbraw/zinc/30/51/36/516305136.db2.gz KMLOUZSWDPTLJM-UHFFFAOYSA-N -1 1 355.310 2.724 20 5 FFBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c([O-])c1 ZINC000539972218 516381583 /nfs/dbraw/zinc/38/15/83/516381583.db2.gz ZFHYZJUHJPMMNP-UHFFFAOYSA-N -1 1 360.322 2.738 20 5 FFBDMM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000541174360 516911143 /nfs/dbraw/zinc/91/11/43/516911143.db2.gz CXBUWWFKPPAZPG-UHFFFAOYSA-N -1 1 358.397 2.821 20 5 FFBDMM C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461989 516935512 /nfs/dbraw/zinc/93/55/12/516935512.db2.gz AWZRCWGJGDQGCO-MGPUTAFESA-N -1 1 372.421 2.843 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000525600969 517087193 /nfs/dbraw/zinc/08/71/93/517087193.db2.gz CKUWADOSMWFIQS-UHFFFAOYSA-N -1 1 362.194 2.775 20 5 FFBDMM O=C(CCNc1ccccc1[N+](=O)[O-])N=c1cc(-c2cccs2)[n-][nH]1 ZINC000515987531 517528340 /nfs/dbraw/zinc/52/83/40/517528340.db2.gz KKQFQEIJCYQVPJ-UHFFFAOYSA-N -1 1 357.395 2.909 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])n1 ZINC000533635086 517556312 /nfs/dbraw/zinc/55/63/12/517556312.db2.gz IOFJDZLRQGYHLC-CYBMUJFWSA-N -1 1 364.427 2.512 20 5 FFBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000543313086 518019254 /nfs/dbraw/zinc/01/92/54/518019254.db2.gz VDBSGCWFYNCMBK-UHFFFAOYSA-N -1 1 368.305 2.672 20 5 FFBDMM Cc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564334711 518404325 /nfs/dbraw/zinc/40/43/25/518404325.db2.gz IADZTSCTMZNDTA-BETUJISGSA-N -1 1 351.403 2.513 20 5 FFBDMM COC[C@@]1(C(=O)[O-])CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000567983491 518815200 /nfs/dbraw/zinc/81/52/00/518815200.db2.gz KBGBHPMFODMKMK-GOSISDBHSA-N -1 1 359.382 2.769 20 5 FFBDMM CCOCCCn1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc2ccccc21 ZINC000565730859 519103141 /nfs/dbraw/zinc/10/31/41/519103141.db2.gz USBQWLLSOYMAML-UHFFFAOYSA-N -1 1 357.370 2.952 20 5 FFBDMM CC(C)C1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000590166513 519166038 /nfs/dbraw/zinc/16/60/38/519166038.db2.gz NFWPITSAJFALQZ-UHFFFAOYSA-N -1 1 363.233 2.824 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594472829 519982522 /nfs/dbraw/zinc/98/25/22/519982522.db2.gz GKMPTUPSAJITOM-KGLIPLIRSA-N -1 1 374.846 2.874 20 5 FFBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000597612640 520135145 /nfs/dbraw/zinc/13/51/45/520135145.db2.gz ZNDLKRAVSSAIHV-VIFPVBQESA-N -1 1 366.761 2.665 20 5 FFBDMM O=C(N[C@H](CCc1ccccc1)C(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600314745 520200888 /nfs/dbraw/zinc/20/08/88/520200888.db2.gz XTFSJJNDOFKTDA-GFCCVEGCSA-N -1 1 351.309 2.692 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)s1 ZINC000597757562 520213947 /nfs/dbraw/zinc/21/39/47/520213947.db2.gz NVFPGGDADUQHMR-UHFFFAOYSA-N -1 1 352.372 2.850 20 5 FFBDMM O=C(NCCCCCOC1CCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609555318 520356502 /nfs/dbraw/zinc/35/65/02/520356502.db2.gz SPEZGKIYJDXLCC-UHFFFAOYSA-N -1 1 351.403 2.945 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000610260333 520608429 /nfs/dbraw/zinc/60/84/29/520608429.db2.gz NYVILKCUDFUJRX-SECBINFHSA-N -1 1 373.337 2.631 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000610261828 520609310 /nfs/dbraw/zinc/60/93/10/520609310.db2.gz JCQYMYDWHACJIQ-LBPRGKRZSA-N -1 1 353.787 2.609 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000614482435 520993233 /nfs/dbraw/zinc/99/32/33/520993233.db2.gz UFSZKERUHBJYPK-UHFFFAOYSA-N -1 1 372.378 2.564 20 5 FFBDMM CCC(CC)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599215860 521091623 /nfs/dbraw/zinc/09/16/23/521091623.db2.gz JNQPXHUEPQAQIL-OAHLLOKOSA-N -1 1 366.443 2.784 20 5 FFBDMM Cc1cc(F)cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1[N+](=O)[O-] ZINC000833744713 604504829 /nfs/dbraw/zinc/50/48/29/604504829.db2.gz IDPYMCCGKDFEOR-UHFFFAOYSA-N -1 1 358.285 2.869 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000823621145 606702174 /nfs/dbraw/zinc/70/21/74/606702174.db2.gz WXSCILWZNRFVKS-GFCCVEGCSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000823621145 606702175 /nfs/dbraw/zinc/70/21/75/606702175.db2.gz WXSCILWZNRFVKS-GFCCVEGCSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620227 606718596 /nfs/dbraw/zinc/71/85/96/606718596.db2.gz INQPWUOKHJPKCL-BDAKNGLRSA-N -1 1 371.323 2.951 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620227 606718599 /nfs/dbraw/zinc/71/85/99/606718599.db2.gz INQPWUOKHJPKCL-BDAKNGLRSA-N -1 1 371.323 2.951 20 5 FFBDMM C[C@H](Cc1ccccc1Cl)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820299438 607168790 /nfs/dbraw/zinc/16/87/90/607168790.db2.gz GNIFZAAZJKHMEE-SECBINFHSA-N -1 1 359.777 2.866 20 5 FFBDMM C[C@H](Cc1ccccc1Cl)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820299438 607168792 /nfs/dbraw/zinc/16/87/92/607168792.db2.gz GNIFZAAZJKHMEE-SECBINFHSA-N -1 1 359.777 2.866 20 5 FFBDMM C[C@@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000824832753 608411710 /nfs/dbraw/zinc/41/17/10/608411710.db2.gz VUUZIGXQLDBFJX-SFHVURJKSA-N -1 1 365.397 2.876 20 5 FFBDMM C[C@@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000824832753 608411712 /nfs/dbraw/zinc/41/17/12/608411712.db2.gz VUUZIGXQLDBFJX-SFHVURJKSA-N -1 1 365.397 2.876 20 5 FFBDMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N1 ZINC000071081960 728207920 /nfs/dbraw/zinc/20/79/20/728207920.db2.gz QUMGQKWUTLXOBK-UHFFFAOYSA-N -1 1 367.770 2.544 20 5 FFBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000071208807 728208290 /nfs/dbraw/zinc/20/82/90/728208290.db2.gz CBTCKHCBKYHIIE-PSASIEDQSA-N -1 1 363.233 2.824 20 5 FFBDMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000075082212 728243455 /nfs/dbraw/zinc/24/34/55/728243455.db2.gz MXZXGGBUBGFRQC-UHFFFAOYSA-N -1 1 363.395 2.687 20 5 FFBDMM CC(C)COCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101569538 728486504 /nfs/dbraw/zinc/48/65/04/728486504.db2.gz FMJXVEGXRQKFHR-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000111367763 728536201 /nfs/dbraw/zinc/53/62/01/728536201.db2.gz JOZRLHMLUMKWHB-ZUZCIYMTSA-N -1 1 350.371 2.946 20 5 FFBDMM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000134485524 728730496 /nfs/dbraw/zinc/73/04/96/728730496.db2.gz RDAKMDHYWHJSDW-CQSZACIVSA-N -1 1 370.814 2.569 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000173738608 729052982 /nfs/dbraw/zinc/05/29/82/729052982.db2.gz HZQZOVOEHMJGJU-JTQLQIEISA-N -1 1 372.349 2.619 20 5 FFBDMM CCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000226824415 729548285 /nfs/dbraw/zinc/54/82/85/729548285.db2.gz GPHDTKCPVPGVOM-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM CCCCC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000858939623 730437234 /nfs/dbraw/zinc/43/72/34/730437234.db2.gz PNMMFQRCBCAVPG-AWEZNQCLSA-N -1 1 366.443 2.928 20 5 FFBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000865372234 730947398 /nfs/dbraw/zinc/94/73/98/730947398.db2.gz YUXJNQOTFCTKLV-UHFFFAOYSA-N -1 1 351.340 2.574 20 5 FFBDMM CCN(C)c1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730268858 734624032 /nfs/dbraw/zinc/62/40/32/734624032.db2.gz IQQSKWIGXLKFMU-UHFFFAOYSA-N -1 1 367.402 2.669 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000734243945 734885112 /nfs/dbraw/zinc/88/51/12/734885112.db2.gz OFUHACGHQLFHRZ-UHFFFAOYSA-N -1 1 361.354 2.761 20 5 FFBDMM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000736344342 734982911 /nfs/dbraw/zinc/98/29/11/734982911.db2.gz IEROQFSCUBAVSW-LLVKDONJSA-N -1 1 350.824 2.732 20 5 FFBDMM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742313225 735225351 /nfs/dbraw/zinc/22/53/51/735225351.db2.gz PHDNQCZSLIVQMW-GDBMZVCRSA-N -1 1 350.371 2.742 20 5 FFBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000754828685 736205764 /nfs/dbraw/zinc/20/57/64/736205764.db2.gz VXDQJMCHMAHCQZ-UHFFFAOYSA-N -1 1 362.342 2.925 20 5 FFBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]nc1C1CC1 ZINC000755078917 736231012 /nfs/dbraw/zinc/23/10/12/736231012.db2.gz DRCSJZZNXKGEDQ-UHFFFAOYSA-N -1 1 350.400 2.921 20 5 FFBDMM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1(C)C ZINC000766079460 737191483 /nfs/dbraw/zinc/19/14/83/737191483.db2.gz GZHZONIXMOGYKC-STQMWFEESA-N -1 1 360.407 2.604 20 5 FFBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795379790 740013008 /nfs/dbraw/zinc/01/30/08/740013008.db2.gz JLTXCBYMTDZURZ-JTQLQIEISA-N -1 1 354.359 2.896 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2)cc1Cl ZINC000798223443 740313892 /nfs/dbraw/zinc/31/38/92/740313892.db2.gz OWVSIIQNBKFYKX-UHFFFAOYSA-N -1 1 358.778 2.908 20 5 FFBDMM CCOC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809837093 741351874 /nfs/dbraw/zinc/35/18/74/741351874.db2.gz SQBSCPKACIBWMA-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC000813764480 741760988 /nfs/dbraw/zinc/76/09/88/741760988.db2.gz VITPLLHGCKLMNX-UHFFFAOYSA-N -1 1 368.814 2.871 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC000819926039 742445751 /nfs/dbraw/zinc/44/57/51/742445751.db2.gz PAWDXYHSBKUEGQ-RNLVFQAGSA-N -1 1 351.211 2.978 20 5 FFBDMM CSC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830563203 745382164 /nfs/dbraw/zinc/38/21/64/745382164.db2.gz FUYABPRCMDHFPP-LURJTMIESA-N -1 1 359.256 2.931 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c2nccn21 ZINC000832421071 745695956 /nfs/dbraw/zinc/69/59/56/745695956.db2.gz WFVVZHWOQYLJED-XVKPBYJWSA-N -1 1 374.781 2.568 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000047671268 845150002 /nfs/dbraw/zinc/15/00/02/845150002.db2.gz XKFQWWDYNPWTPT-UHFFFAOYSA-N -1 1 360.407 2.752 20 5 FFBDMM CN1CCN(Cc2ccccc2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001174504930 1013243306 /nfs/dbraw/zinc/24/33/06/1013243306.db2.gz LLTMXOVEVPTXHH-UHFFFAOYSA-N -1 1 370.409 2.784 20 5 FFBDMM O=C(NCCc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000917162780 990161428 /nfs/dbraw/zinc/16/14/28/990161428.db2.gz XQZNTQUUJHVQQN-UHFFFAOYSA-N -1 1 370.409 2.658 20 5 FFBDMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2F)C[C@H](C)O1 ZINC000918600052 990447803 /nfs/dbraw/zinc/44/78/03/990447803.db2.gz KTBSOYJEKMYPCQ-PHIMTYICSA-N -1 1 362.361 2.928 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)cc1F ZINC001191411978 1003813538 /nfs/dbraw/zinc/81/35/38/1003813538.db2.gz JSLBNYGIAWKLAK-UHFFFAOYSA-N -1 1 360.407 2.526 20 5 FFBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1F ZINC001195242594 1004921719 /nfs/dbraw/zinc/92/17/19/1004921719.db2.gz LULGREQLRAPOGA-UHFFFAOYSA-N -1 1 356.350 2.968 20 5 FFBDMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001134050725 1006115116 /nfs/dbraw/zinc/11/51/16/1006115116.db2.gz NEZOSVCUTGBQBV-UHFFFAOYSA-N -1 1 366.276 2.921 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])n1 ZINC001189823863 1007294237 /nfs/dbraw/zinc/29/42/37/1007294237.db2.gz YABKCLDENMFMBS-CHWSQXEVSA-N -1 1 372.491 2.942 20 5 FFBDMM C[C@@H]1CN(CCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000818322958 1007901471 /nfs/dbraw/zinc/90/14/71/1007901471.db2.gz UAKXNXVHHNFTEA-VTGPQGOBSA-N -1 1 363.414 2.604 20 5 FFBDMM COc1ccc(C(=O)CNC(=O)c2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC001171005059 1008912490 /nfs/dbraw/zinc/91/24/90/1008912490.db2.gz FSLPGJGJLUUYFN-UHFFFAOYSA-N -1 1 364.741 2.575 20 5 FFBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801564643 1019121105 /nfs/dbraw/zinc/12/11/05/1019121105.db2.gz RCILSAVAHHQSKV-UHFFFAOYSA-N -1 1 358.398 2.837 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)ccc2Br)no1 ZINC001212892905 1027208369 /nfs/dbraw/zinc/20/83/69/1027208369.db2.gz BIMMOLSGEBMHQM-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM COC[C@H](SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001166903853 1030568031 /nfs/dbraw/zinc/56/80/31/1030568031.db2.gz NPVKWNASCRQECG-INIZCTEOSA-N -1 1 374.418 2.972 20 5 FFBDMM CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC001115876835 1031996154 /nfs/dbraw/zinc/99/61/54/1031996154.db2.gz SWRKWIGDJQPOIN-UHFFFAOYSA-N -1 1 369.337 2.538 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ncccc1F ZINC001226311188 1034625578 /nfs/dbraw/zinc/62/55/78/1034625578.db2.gz UKUXUHSKSJDQRQ-QMMMGPOBSA-N -1 1 351.290 2.546 20 5 FFBDMM CC1(C)OC[C@H](COc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])O1 ZINC001227306239 1035500842 /nfs/dbraw/zinc/50/08/42/1035500842.db2.gz HZZDHFNOMPUACF-JTQLQIEISA-N -1 1 358.346 2.888 20 5 FFBDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143670 1035957967 /nfs/dbraw/zinc/95/79/67/1035957967.db2.gz PDQRKIQVZZIIFE-GHMZBOCLSA-N -1 1 368.390 2.505 20 5 FFBDMM CCC[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C(=O)OCC ZINC001228862261 1036370596 /nfs/dbraw/zinc/37/05/96/1036370596.db2.gz MGYPWKBOCCGVPC-MRVPVSSYSA-N -1 1 352.265 2.825 20 5 FFBDMM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229751525 1036871963 /nfs/dbraw/zinc/87/19/63/1036871963.db2.gz VRKITLXQPGETKP-MJBXVCDLSA-N -1 1 357.403 2.833 20 5 FFBDMM Cc1cc([O-])c(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001229753398 1036874195 /nfs/dbraw/zinc/87/41/95/1036874195.db2.gz IKFXAXKVAJHVFR-MRXNPFEDSA-N -1 1 362.294 2.734 20 5 FFBDMM CC(=O)N1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234742228 1037161387 /nfs/dbraw/zinc/16/13/87/1037161387.db2.gz OBXYXDVOHXXVIV-CYBMUJFWSA-N -1 1 369.373 2.747 20 5 FFBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])s1 ZINC001210237704 1039442322 /nfs/dbraw/zinc/44/23/22/1039442322.db2.gz PFHXCEVKVGMXJR-UHFFFAOYSA-N -1 1 359.404 2.594 20 5 FFBDMM Nc1ccc(I)c(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210392652 1039519459 /nfs/dbraw/zinc/51/94/59/1039519459.db2.gz KGEITMVMNMTDJL-UHFFFAOYSA-N -1 1 372.122 2.626 20 5 FFBDMM COC(=O)c1nc(Cl)c(Cl)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392879 1039519726 /nfs/dbraw/zinc/51/97/26/1039519726.db2.gz OILBPPRIFYNWIB-UHFFFAOYSA-N -1 1 359.125 2.927 20 5 FFBDMM COC(=O)c1cc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392841 1039519905 /nfs/dbraw/zinc/51/99/05/1039519905.db2.gz KGPCVDVLIKPZAQ-UHFFFAOYSA-N -1 1 368.143 2.988 20 5 FFBDMM COC(=O)c1nc(Cl)nc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394507 1039519998 /nfs/dbraw/zinc/51/99/98/1039519998.db2.gz XGNPJUGKJHIZIW-UHFFFAOYSA-N -1 1 359.125 2.927 20 5 FFBDMM CCOC(=O)c1cc(Nc2cccc(C(=O)N(C)C)c2[O-])cc([N+](=O)[O-])c1 ZINC001211375326 1040119297 /nfs/dbraw/zinc/11/92/97/1040119297.db2.gz BELAIKNPWYBDIM-UHFFFAOYSA-N -1 1 373.365 2.923 20 5 FFBDMM CC1(C)CNC(=O)c2c(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)coc2C1 ZINC001264207261 1042657448 /nfs/dbraw/zinc/65/74/48/1042657448.db2.gz RWTDDPQDCCRRSB-UHFFFAOYSA-N -1 1 361.329 2.891 20 5 FFBDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001309536765 1043426247 /nfs/dbraw/zinc/42/62/47/1043426247.db2.gz BWRBLANMOGEBBQ-UHFFFAOYSA-N -1 1 357.338 2.580 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CC1 ZINC001309892742 1043576579 /nfs/dbraw/zinc/57/65/79/1043576579.db2.gz XFWMKBSIBMYMHP-ZDUSSCGKSA-N -1 1 360.819 2.628 20 5 FFBDMM O=[N+]([O-])c1c(OS(=O)(=O)c2c[n-]nc2Cl)cccc1C(F)(F)F ZINC001309919807 1043590075 /nfs/dbraw/zinc/59/00/75/1043590075.db2.gz FQDPLPABDSWIAP-UHFFFAOYSA-N -1 1 371.680 2.758 20 5 FFBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001329553922 1048772661 /nfs/dbraw/zinc/77/26/61/1048772661.db2.gz CWXBOIKVDZAWOG-UHFFFAOYSA-N -1 1 372.312 2.847 20 5 FFBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c([O-])cnc2c(F)cccc21 ZINC001542234803 1071194525 /nfs/dbraw/zinc/19/45/25/1071194525.db2.gz BQPVGABQNXYUCH-UHFFFAOYSA-N -1 1 355.325 2.960 20 5 FFBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(C)C ZINC001309265487 1052587735 /nfs/dbraw/zinc/58/77/35/1052587735.db2.gz GERHVFBFQUGGEF-AWEZNQCLSA-N -1 1 362.423 2.772 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1noc(C)n1 ZINC001309273960 1052589053 /nfs/dbraw/zinc/58/90/53/1052589053.db2.gz BJQINKVLTGMUFM-NSHDSACASA-N -1 1 374.806 2.678 20 5 FFBDMM CCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC001350273776 1055703970 /nfs/dbraw/zinc/70/39/70/1055703970.db2.gz UOXJJDPWSUHYHN-UHFFFAOYSA-N -1 1 364.383 2.812 20 5 FFBDMM O=C([N-]c1nc2ccccn2n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001357611424 1055962798 /nfs/dbraw/zinc/96/27/98/1055962798.db2.gz QNDFTCQTPJSECH-UHFFFAOYSA-N -1 1 351.244 2.909 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2c(F)ccnc2Cl)cc([N+](=O)[O-])c1 ZINC001544531715 1071656972 /nfs/dbraw/zinc/65/69/72/1071656972.db2.gz NFGYVXYSZZBJNJ-UHFFFAOYSA-N -1 1 353.693 2.821 20 5 FFBDMM Cc1noc([C@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C(C)C)n1 ZINC001475808130 1061288337 /nfs/dbraw/zinc/28/83/37/1061288337.db2.gz ALLRAVWRBIXXGI-CYBMUJFWSA-N -1 1 368.415 2.579 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001463455504 1062111615 /nfs/dbraw/zinc/11/16/15/1062111615.db2.gz SSPZCQGLXBKTFQ-ZDUSSCGKSA-N -1 1 353.375 2.867 20 5 FFBDMM COc1c(C)cccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001463970569 1062356681 /nfs/dbraw/zinc/35/66/81/1062356681.db2.gz AWTQVIJFIZRTRE-UHFFFAOYSA-N -1 1 354.359 2.529 20 5 FFBDMM C[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575440495 1078140604 /nfs/dbraw/zinc/14/06/04/1078140604.db2.gz YQPAEDWPBTYVTK-QMMMGPOBSA-N -1 1 366.341 2.530 20 5 FFBDMM C[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575440495 1078140606 /nfs/dbraw/zinc/14/06/06/1078140606.db2.gz YQPAEDWPBTYVTK-QMMMGPOBSA-N -1 1 366.341 2.530 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@H]2CCc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC001582801599 1079108109 /nfs/dbraw/zinc/10/81/09/1079108109.db2.gz AZZPRUJUIYTBMC-LBPRGKRZSA-N -1 1 350.382 2.992 20 5 FFBDMM O=[N+]([O-])c1c(NC[C@H]2CCc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC001582801599 1079108116 /nfs/dbraw/zinc/10/81/16/1079108116.db2.gz AZZPRUJUIYTBMC-LBPRGKRZSA-N -1 1 350.382 2.992 20 5 FFBDMM O=C([N-]N1CCOC1=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001584643482 1079373724 /nfs/dbraw/zinc/37/37/24/1079373724.db2.gz CTZMTXVKNGOQIS-UHFFFAOYSA-N -1 1 359.363 2.843 20 5 FFBDMM O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001556071918 1075697291 /nfs/dbraw/zinc/69/72/91/1075697291.db2.gz WVVORNNNXOLPJU-ZDUSSCGKSA-N -1 1 373.756 2.591 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001574572895 1078022943 /nfs/dbraw/zinc/02/29/43/1078022943.db2.gz CWNSQTVHUQYQPR-MEBBXXQBSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001574572895 1078022947 /nfs/dbraw/zinc/02/29/47/1078022947.db2.gz CWNSQTVHUQYQPR-MEBBXXQBSA-N -1 1 372.360 2.838 20 5 FFBDMM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1N1CCN(C)CC1 ZINC001587917077 1079891626 /nfs/dbraw/zinc/89/16/26/1079891626.db2.gz IGACVZVIAIAPBN-UHFFFAOYSA-N -1 1 370.409 2.613 20 5 FFBDMM CC(C)C[C@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001589549649 1080600272 /nfs/dbraw/zinc/60/02/72/1080600272.db2.gz BWQPEJIKRGUZLR-NSHDSACASA-N -1 1 356.386 2.772 20 5 FFBDMM CC(C)N(CCc1nccs1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589695338 1080674350 /nfs/dbraw/zinc/67/43/50/1080674350.db2.gz NDKKQNITIFSAOH-UHFFFAOYSA-N -1 1 359.415 2.689 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589801945 1080757750 /nfs/dbraw/zinc/75/77/50/1080757750.db2.gz DSRHNEALCJEXAS-BXKDBHETSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589801945 1080757758 /nfs/dbraw/zinc/75/77/58/1080757758.db2.gz DSRHNEALCJEXAS-BXKDBHETSA-N -1 1 360.399 2.761 20 5 FFBDMM C[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589877054 1080825922 /nfs/dbraw/zinc/82/59/22/1080825922.db2.gz IMAQJEDAOVXOON-JTQLQIEISA-N -1 1 369.341 2.899 20 5 FFBDMM C[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589877054 1080825925 /nfs/dbraw/zinc/82/59/25/1080825925.db2.gz IMAQJEDAOVXOON-JTQLQIEISA-N -1 1 369.341 2.899 20 5 FFBDMM C[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589877055 1080826049 /nfs/dbraw/zinc/82/60/49/1080826049.db2.gz IMAQJEDAOVXOON-SNVBAGLBSA-N -1 1 369.341 2.899 20 5 FFBDMM C[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589877055 1080826051 /nfs/dbraw/zinc/82/60/51/1080826051.db2.gz IMAQJEDAOVXOON-SNVBAGLBSA-N -1 1 369.341 2.899 20 5 FFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001589984686 1080922240 /nfs/dbraw/zinc/92/22/40/1080922240.db2.gz VCNIDEABWSXDAX-SECBINFHSA-N -1 1 350.342 2.824 20 5 FFBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001589984686 1080922244 /nfs/dbraw/zinc/92/22/44/1080922244.db2.gz VCNIDEABWSXDAX-SECBINFHSA-N -1 1 350.342 2.824 20 5 FFBDMM C[C@H]1[C@@H](C(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590164130 1081063326 /nfs/dbraw/zinc/06/33/26/1081063326.db2.gz AZVLZYGBSVWEKQ-KWQFWETISA-N -1 1 356.308 2.942 20 5 FFBDMM O=C([N-]C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000289810425 257300621 /nfs/dbraw/zinc/30/06/21/257300621.db2.gz IVAKGDOHYXKENL-JTQLQIEISA-N -1 1 374.319 2.517 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1CO ZINC000054041049 506483773 /nfs/dbraw/zinc/48/37/73/506483773.db2.gz LIZOBKVFCZUEJY-UHFFFAOYSA-N -1 1 366.395 2.595 20 5 FFBDMM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000015611058 507050917 /nfs/dbraw/zinc/05/09/17/507050917.db2.gz RWGZFYXLLSQMSP-UHFFFAOYSA-N -1 1 355.272 2.687 20 5 FFBDMM CCCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000023362988 507347923 /nfs/dbraw/zinc/34/79/23/507347923.db2.gz STUCXZAUQGZGSJ-UHFFFAOYSA-N -1 1 364.383 2.812 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000030530393 507809831 /nfs/dbraw/zinc/80/98/31/507809831.db2.gz CLIDSONKFJGACI-UHFFFAOYSA-N -1 1 364.379 2.865 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)s1 ZINC000151394564 509009760 /nfs/dbraw/zinc/00/97/60/509009760.db2.gz GVGUTJDPUASELJ-UHFFFAOYSA-N -1 1 352.393 2.924 20 5 FFBDMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000237677276 509708245 /nfs/dbraw/zinc/70/82/45/509708245.db2.gz IBKKIZWOLDDZHX-MEBBXXQBSA-N -1 1 368.349 2.663 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000187203640 510121900 /nfs/dbraw/zinc/12/19/00/510121900.db2.gz VIFOWLOFHMYTFI-HNNXBMFYSA-N -1 1 357.366 2.517 20 5 FFBDMM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c[nH]c21 ZINC000177736750 510224735 /nfs/dbraw/zinc/22/47/35/510224735.db2.gz MXPFIPXLBMIDOR-UHFFFAOYSA-N -1 1 365.436 2.967 20 5 FFBDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000195070090 510658277 /nfs/dbraw/zinc/65/82/77/510658277.db2.gz BXKZGFOKSHGSDJ-JTQLQIEISA-N -1 1 362.411 2.668 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000195318737 510781489 /nfs/dbraw/zinc/78/14/89/510781489.db2.gz GPXXTQNSGCZGCZ-UHFFFAOYSA-N -1 1 360.345 2.551 20 5 FFBDMM CC(C)c1nc([C@@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272161707 511450938 /nfs/dbraw/zinc/45/09/38/511450938.db2.gz HWGUKQGOYTXEMO-SECBINFHSA-N -1 1 353.329 2.806 20 5 FFBDMM COc1ccc(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000363282287 511461139 /nfs/dbraw/zinc/46/11/39/511461139.db2.gz IZSZLBSLOPRFHL-CQSZACIVSA-N -1 1 371.393 2.799 20 5 FFBDMM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302999669 511723417 /nfs/dbraw/zinc/72/34/17/511723417.db2.gz UKAXUPWBTCFJRM-UHFFFAOYSA-N -1 1 371.271 2.523 20 5 FFBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000325365147 511846059 /nfs/dbraw/zinc/84/60/59/511846059.db2.gz IOXPJQIGOYPVQV-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=C([O-])c1cccc(Cl)c1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326546892 511860176 /nfs/dbraw/zinc/86/01/76/511860176.db2.gz MJBAURRPAFIXFU-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[N+](=O)[O-] ZINC000433831627 513162469 /nfs/dbraw/zinc/16/24/69/513162469.db2.gz OBFSINROVOJQLX-UHFFFAOYSA-N -1 1 356.342 2.789 20 5 FFBDMM CC(C)c1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000433930869 513189648 /nfs/dbraw/zinc/18/96/48/513189648.db2.gz LOZHVCKPEGDQKN-UHFFFAOYSA-N -1 1 359.321 2.618 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)n1 ZINC000415655533 513365609 /nfs/dbraw/zinc/36/56/09/513365609.db2.gz ZXFMKJHWOIWYLF-UHFFFAOYSA-N -1 1 364.383 2.859 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000416572817 513841513 /nfs/dbraw/zinc/84/15/13/513841513.db2.gz TXQUCEZSYWTYQT-VIFPVBQESA-N -1 1 358.807 2.504 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000451640762 513879591 /nfs/dbraw/zinc/87/95/91/513879591.db2.gz LWYDPFRIDQSMLV-VIFPVBQESA-N -1 1 352.334 2.838 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000436512675 513880158 /nfs/dbraw/zinc/88/01/58/513880158.db2.gz ZAEJDQJXBOWSJU-UHFFFAOYSA-N -1 1 369.333 2.680 20 5 FFBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000461184712 514532244 /nfs/dbraw/zinc/53/22/44/514532244.db2.gz GYFIWUPKMRJYJA-UHFFFAOYSA-N -1 1 361.423 2.853 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000503775110 515139309 /nfs/dbraw/zinc/13/93/09/515139309.db2.gz PXSUAMFLTBTICA-ZDUSSCGKSA-N -1 1 368.411 2.861 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000499327044 515286205 /nfs/dbraw/zinc/28/62/05/515286205.db2.gz GVNXGCXSOXWTCV-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481475777 515339844 /nfs/dbraw/zinc/33/98/44/515339844.db2.gz SLDLLHMVMMNNEP-UHFFFAOYSA-N -1 1 358.398 2.935 20 5 FFBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000491358288 515417531 /nfs/dbraw/zinc/41/75/31/515417531.db2.gz IICVUJMHZSGRRD-UHFFFAOYSA-N -1 1 374.334 2.730 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)c([N+](=O)[O-])n1 ZINC000499710783 515423641 /nfs/dbraw/zinc/42/36/41/515423641.db2.gz WRSSBKUZZWMVQX-SNVBAGLBSA-N -1 1 370.456 2.573 20 5 FFBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)OCO2 ZINC000510131899 515445687 /nfs/dbraw/zinc/44/56/87/515445687.db2.gz GGPQCJNUVWGWND-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477436751 515456467 /nfs/dbraw/zinc/45/64/67/515456467.db2.gz BOKAKXIBBGKNRZ-UHFFFAOYSA-N -1 1 372.406 2.649 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486546549 515530409 /nfs/dbraw/zinc/53/04/09/515530409.db2.gz DUFABAMAINJJAK-UHFFFAOYSA-N -1 1 350.331 2.719 20 5 FFBDMM O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505510603 515564320 /nfs/dbraw/zinc/56/43/20/515564320.db2.gz UDYQHOZYNFZUCA-UHFFFAOYSA-N -1 1 372.381 2.732 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000469396869 515798649 /nfs/dbraw/zinc/79/86/49/515798649.db2.gz CRNDIBNJOUDMCD-OLZOCXBDSA-N -1 1 358.464 2.694 20 5 FFBDMM Cc1ccc(-c2cc(=NC(=O)COc3cccc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000500846613 515881268 /nfs/dbraw/zinc/88/12/68/515881268.db2.gz PIULKWSAGSINJN-UHFFFAOYSA-N -1 1 358.379 2.794 20 5 FFBDMM O=C(NCc1ccc(-c2ccncc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000524147975 516655211 /nfs/dbraw/zinc/65/52/11/516655211.db2.gz YSFKEZNQXNWUDN-UHFFFAOYSA-N -1 1 350.334 2.687 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(Br)c1 ZINC000555456729 516934393 /nfs/dbraw/zinc/93/43/93/516934393.db2.gz CHQXAYWTBXEXGC-ZJUUUORDSA-N -1 1 367.196 2.526 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000544851397 516960462 /nfs/dbraw/zinc/96/04/62/516960462.db2.gz ZUUXNZVCDBRMQT-LBPRGKRZSA-N -1 1 361.423 2.908 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000525601025 517086708 /nfs/dbraw/zinc/08/67/08/517086708.db2.gz GVYNLUSGUJYWSW-NSHDSACASA-N -1 1 369.399 2.644 20 5 FFBDMM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000559805737 517435459 /nfs/dbraw/zinc/43/54/59/517435459.db2.gz SGVVBCWUUYXMDQ-CYBMUJFWSA-N -1 1 370.814 2.569 20 5 FFBDMM O=C1CCCN1Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000546440980 517681684 /nfs/dbraw/zinc/68/16/84/517681684.db2.gz AXPWXCBGOKBRKM-UHFFFAOYSA-N -1 1 353.338 2.762 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c1 ZINC000542713391 517699277 /nfs/dbraw/zinc/69/92/77/517699277.db2.gz BPCWCAZTISTPPF-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc2n1 ZINC000542714014 517701883 /nfs/dbraw/zinc/70/18/83/517701883.db2.gz NUBMTZDYUCZWFT-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM Nc1c(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000535289233 518173356 /nfs/dbraw/zinc/17/33/56/518173356.db2.gz MXYAIJPPRQSZGQ-UHFFFAOYSA-N -1 1 363.786 2.956 20 5 FFBDMM O=C([O-])Cc1ccc(NCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000567238330 518423779 /nfs/dbraw/zinc/42/37/79/518423779.db2.gz HCMFYSTUSPCNSO-UHFFFAOYSA-N -1 1 355.394 2.692 20 5 FFBDMM CCc1nc(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[n-]c(=O)c1C ZINC000582252959 518662430 /nfs/dbraw/zinc/66/24/30/518662430.db2.gz XKHZUWDGRWYFPU-UHFFFAOYSA-N -1 1 374.422 2.643 20 5 FFBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)CCC(=O)[O-])cc1OC ZINC000573506398 518699181 /nfs/dbraw/zinc/69/91/81/518699181.db2.gz JMTPOKKDKRCQOD-LBPRGKRZSA-N -1 1 354.403 2.935 20 5 FFBDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000571577150 519164938 /nfs/dbraw/zinc/16/49/38/519164938.db2.gz GARBPZJAMZCPHN-UHFFFAOYSA-N -1 1 368.342 2.630 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000590597565 519281779 /nfs/dbraw/zinc/28/17/79/519281779.db2.gz DFWMGQLDGKVMCO-UHFFFAOYSA-N -1 1 358.759 2.763 20 5 FFBDMM O=C([O-])Cc1ccc(NC2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000569107019 519380033 /nfs/dbraw/zinc/38/00/33/519380033.db2.gz TWELHHDSVJBIPY-UHFFFAOYSA-N -1 1 370.409 2.693 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000574892953 519388510 /nfs/dbraw/zinc/38/85/10/519388510.db2.gz OMAWKKIEMXYDSJ-LSDHHAIUSA-N -1 1 361.423 2.995 20 5 FFBDMM O=C([O-])c1cnc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000566294375 519418522 /nfs/dbraw/zinc/41/85/22/519418522.db2.gz AFBDHHSSRAILEA-AWEZNQCLSA-N -1 1 360.370 2.920 20 5 FFBDMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594799995 520164968 /nfs/dbraw/zinc/16/49/68/520164968.db2.gz ABVUOMDNZWIVHZ-NSHDSACASA-N -1 1 362.835 2.732 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CCCCC1 ZINC000609030333 520180729 /nfs/dbraw/zinc/18/07/29/520180729.db2.gz SIWZVHVXMBOPST-UHFFFAOYSA-N -1 1 363.233 2.968 20 5 FFBDMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCC[C@@H]21 ZINC000600676854 520391455 /nfs/dbraw/zinc/39/14/55/520391455.db2.gz YYPMUUQQLZQTLG-RBSFLKMASA-N -1 1 372.381 2.720 20 5 FFBDMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]2CCC[C@H]21 ZINC000600676855 520392204 /nfs/dbraw/zinc/39/22/04/520392204.db2.gz YYPMUUQQLZQTLG-RRFJBIMHSA-N -1 1 372.381 2.720 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCCCOC1CCCCC1 ZINC000610263806 520609044 /nfs/dbraw/zinc/60/90/44/520609044.db2.gz CMJPZZDSUIKALW-UHFFFAOYSA-N -1 1 371.459 2.788 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000610266054 520612592 /nfs/dbraw/zinc/61/25/92/520612592.db2.gz JSJLFXOCVOGYPF-FZZIBODNSA-N -1 1 374.846 2.730 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000611106155 520987394 /nfs/dbraw/zinc/98/73/94/520987394.db2.gz UUNRLNZYRRHBTF-CQSZACIVSA-N -1 1 366.443 2.877 20 5 FFBDMM O=[N+]([O-])c1ccc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000823634203 599491740 /nfs/dbraw/zinc/49/17/40/599491740.db2.gz CRAYYVYTWSOBRE-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1ccc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000823634203 599491742 /nfs/dbraw/zinc/49/17/42/599491742.db2.gz CRAYYVYTWSOBRE-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM Cc1nc2ccccc2n1CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826329184 607450746 /nfs/dbraw/zinc/45/07/46/607450746.db2.gz SOSQZJSZONNQHV-UHFFFAOYSA-N -1 1 364.369 2.545 20 5 FFBDMM Cc1nc2ccccc2n1CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826329184 607450748 /nfs/dbraw/zinc/45/07/48/607450748.db2.gz SOSQZJSZONNQHV-UHFFFAOYSA-N -1 1 364.369 2.545 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1C ZINC000832958369 602195816 /nfs/dbraw/zinc/19/58/16/602195816.db2.gz ZJBXBJJULYUJJX-UHFFFAOYSA-N -1 1 356.381 2.772 20 5 FFBDMM O=C([O-])Nc1ccc(F)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000740703688 602653319 /nfs/dbraw/zinc/65/33/19/602653319.db2.gz PAEIWBZOPIVAPZ-UHFFFAOYSA-N -1 1 355.303 2.625 20 5 FFBDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000833814180 605396059 /nfs/dbraw/zinc/39/60/59/605396059.db2.gz ROXMDDAZTFXWME-ZFWWWQNUSA-N -1 1 373.413 2.784 20 5 FFBDMM O=C([O-])C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833776065 605716113 /nfs/dbraw/zinc/71/61/13/605716113.db2.gz QUCVQENDPWCYCX-AWEZNQCLSA-N -1 1 364.741 2.900 20 5 FFBDMM C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N2CCC[C@H]2C)c1 ZINC000820716522 606416902 /nfs/dbraw/zinc/41/69/02/606416902.db2.gz JBFSVDGRBZLXDX-VXGBXAGGSA-N -1 1 357.418 2.752 20 5 FFBDMM C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N2CCC[C@H]2C)c1 ZINC000820716522 606416904 /nfs/dbraw/zinc/41/69/04/606416904.db2.gz JBFSVDGRBZLXDX-VXGBXAGGSA-N -1 1 357.418 2.752 20 5 FFBDMM C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N2CCC[C@@H]2C)c1 ZINC000820716519 606417189 /nfs/dbraw/zinc/41/71/89/606417189.db2.gz JBFSVDGRBZLXDX-NEPJUHHUSA-N -1 1 357.418 2.752 20 5 FFBDMM C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N2CCC[C@@H]2C)c1 ZINC000820716519 606417191 /nfs/dbraw/zinc/41/71/91/606417191.db2.gz JBFSVDGRBZLXDX-NEPJUHHUSA-N -1 1 357.418 2.752 20 5 FFBDMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000819987643 606545519 /nfs/dbraw/zinc/54/55/19/606545519.db2.gz DLNIBRFCWMMITA-UHFFFAOYSA-N -1 1 358.383 2.502 20 5 FFBDMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000819987643 606545521 /nfs/dbraw/zinc/54/55/21/606545521.db2.gz DLNIBRFCWMMITA-UHFFFAOYSA-N -1 1 358.383 2.502 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc2ccccc2c1 ZINC000823624979 606698680 /nfs/dbraw/zinc/69/86/80/606698680.db2.gz NEPMVPJUYKXHAS-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc2ccccc2c1 ZINC000823624979 606698682 /nfs/dbraw/zinc/69/86/82/606698682.db2.gz NEPMVPJUYKXHAS-UHFFFAOYSA-N -1 1 361.365 2.978 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2cc(Cl)ccc21 ZINC000823621146 606702233 /nfs/dbraw/zinc/70/22/33/606702233.db2.gz WXSCILWZNRFVKS-LBPRGKRZSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2cc(Cl)ccc21 ZINC000823621146 606702235 /nfs/dbraw/zinc/70/22/35/606702235.db2.gz WXSCILWZNRFVKS-LBPRGKRZSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1ccc(Cl)cc1 ZINC000823625185 606706007 /nfs/dbraw/zinc/70/60/07/606706007.db2.gz SMPHOXKRJVJGQQ-UHFFFAOYSA-N -1 1 359.777 2.868 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1ccc(Cl)cc1 ZINC000823625185 606706009 /nfs/dbraw/zinc/70/60/09/606706009.db2.gz SMPHOXKRJVJGQQ-UHFFFAOYSA-N -1 1 359.777 2.868 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1OC1CCC1 ZINC000823624534 606711765 /nfs/dbraw/zinc/71/17/65/606711765.db2.gz BXAOZNABTNVHPT-UHFFFAOYSA-N -1 1 367.369 2.713 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1OC1CCC1 ZINC000823624534 606711767 /nfs/dbraw/zinc/71/17/67/606711767.db2.gz BXAOZNABTNVHPT-UHFFFAOYSA-N -1 1 367.369 2.713 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1SCCc2ccccc21 ZINC000823624507 606716217 /nfs/dbraw/zinc/71/62/17/606716217.db2.gz ARHJYRKYNWAJKH-ZDUSSCGKSA-N -1 1 369.410 2.612 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1SCCc2ccccc21 ZINC000823624507 606716218 /nfs/dbraw/zinc/71/62/18/606716218.db2.gz ARHJYRKYNWAJKH-ZDUSSCGKSA-N -1 1 369.410 2.612 20 5 FFBDMM COc1ccc([C@@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821787029 607162735 /nfs/dbraw/zinc/16/27/35/607162735.db2.gz NHSWFKHZDWIOSE-AWEZNQCLSA-N -1 1 367.369 2.520 20 5 FFBDMM COc1ccc([C@@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821787029 607162736 /nfs/dbraw/zinc/16/27/36/607162736.db2.gz NHSWFKHZDWIOSE-AWEZNQCLSA-N -1 1 367.369 2.520 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620671 607166539 /nfs/dbraw/zinc/16/65/39/607166539.db2.gz ODLCYHXEPQBWIC-JGVFFNPUSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823620671 607166540 /nfs/dbraw/zinc/16/65/40/607166540.db2.gz ODLCYHXEPQBWIC-JGVFFNPUSA-N -1 1 357.296 2.703 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(Cc2ccc(F)cc2)CC1 ZINC000826497531 608194926 /nfs/dbraw/zinc/19/49/26/608194926.db2.gz KJKZSLFMEOJBTC-UHFFFAOYSA-N -1 1 369.360 2.744 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(Cc2ccc(F)cc2)CC1 ZINC000826497531 608194927 /nfs/dbraw/zinc/19/49/27/608194927.db2.gz KJKZSLFMEOJBTC-UHFFFAOYSA-N -1 1 369.360 2.744 20 5 FFBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000155038867 728818788 /nfs/dbraw/zinc/81/87/88/728818788.db2.gz XMNSTWYWWOMQCB-CYBMUJFWSA-N -1 1 364.851 2.570 20 5 FFBDMM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000745943413 735453151 /nfs/dbraw/zinc/45/31/51/735453151.db2.gz IIMBEZMDJMYHBJ-JSGCOSHPSA-N -1 1 362.835 2.730 20 5 FFBDMM NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000026232414 727866527 /nfs/dbraw/zinc/86/65/27/727866527.db2.gz VGUJSWVYTFVJSK-UHFFFAOYSA-N -1 1 370.774 2.540 20 5 FFBDMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000065669450 728159869 /nfs/dbraw/zinc/15/98/69/728159869.db2.gz BKIIABGRFNAYII-UHFFFAOYSA-N -1 1 374.296 2.668 20 5 FFBDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132273872 728724124 /nfs/dbraw/zinc/72/41/24/728724124.db2.gz IIBYZQZNKKVYEJ-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000151897076 728747195 /nfs/dbraw/zinc/74/71/95/728747195.db2.gz JSIWCTJLZRKYSK-NSHDSACASA-N -1 1 366.370 2.674 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000175406189 729095373 /nfs/dbraw/zinc/09/53/73/729095373.db2.gz AYLDREQKISKIHA-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187903757 729382411 /nfs/dbraw/zinc/38/24/11/729382411.db2.gz SCFSPKPLARHXEM-UHFFFAOYSA-N -1 1 355.272 2.687 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000194347320 729507977 /nfs/dbraw/zinc/50/79/77/729507977.db2.gz QNBGRQJHMJTDRL-UHFFFAOYSA-N -1 1 364.807 2.970 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000194350831 729508077 /nfs/dbraw/zinc/50/80/77/729508077.db2.gz AACRLKRGPRYGGX-SECBINFHSA-N -1 1 369.330 2.682 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1 ZINC000195420345 729537905 /nfs/dbraw/zinc/53/79/05/729537905.db2.gz DHKYMOJZHDCODS-UHFFFAOYSA-N -1 1 360.313 2.533 20 5 FFBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000779420500 738462854 /nfs/dbraw/zinc/46/28/54/738462854.db2.gz BRHJFEFZZAWCLH-GFCCVEGCSA-N -1 1 366.782 2.854 20 5 FFBDMM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000857252218 730387699 /nfs/dbraw/zinc/38/76/99/730387699.db2.gz NATZQKUOSKJJGC-JTQLQIEISA-N -1 1 370.818 2.695 20 5 FFBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC1CCC(C)CC1 ZINC000780073542 738513885 /nfs/dbraw/zinc/51/38/85/738513885.db2.gz AMYQXKFEKMUWNB-QWKFWESOSA-N -1 1 350.371 2.541 20 5 FFBDMM CSc1cccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780077350 738514414 /nfs/dbraw/zinc/51/44/14/738514414.db2.gz XETVUOZYNWHCQU-UHFFFAOYSA-N -1 1 362.363 2.818 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC12CCOCC2 ZINC000867776101 731223599 /nfs/dbraw/zinc/22/35/99/731223599.db2.gz IRTVWHITDCVELH-NSHDSACASA-N -1 1 374.846 2.733 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000725821640 734393553 /nfs/dbraw/zinc/39/35/53/734393553.db2.gz WFLRAJMVHYSGHR-ZCFIWIBFSA-N -1 1 359.618 2.720 20 5 FFBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1F ZINC000728501882 734529368 /nfs/dbraw/zinc/52/93/68/734529368.db2.gz UWHSFTGKHKJXOI-UHFFFAOYSA-N -1 1 368.342 2.711 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000742308888 735223806 /nfs/dbraw/zinc/22/38/06/735223806.db2.gz LRMQHQNCGZVSKB-OCCSQVGLSA-N -1 1 350.371 2.643 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000742313209 735225576 /nfs/dbraw/zinc/22/55/76/735225576.db2.gz PBGCBYPOSIJHAK-LERXQTSPSA-N -1 1 374.846 2.730 20 5 FFBDMM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000749307196 735712806 /nfs/dbraw/zinc/71/28/06/735712806.db2.gz ZCVVEVUODDOEOE-JTQLQIEISA-N -1 1 355.803 2.553 20 5 FFBDMM O=C([O-])C1(C(F)(F)F)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000903921041 736188944 /nfs/dbraw/zinc/18/89/44/736188944.db2.gz FPNXARTWXFGFMF-UHFFFAOYSA-N -1 1 362.304 2.703 20 5 FFBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000904000340 736202332 /nfs/dbraw/zinc/20/23/32/736202332.db2.gz PYPMFXMLWJFNEO-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000761946938 736775345 /nfs/dbraw/zinc/77/53/45/736775345.db2.gz OJWBRMKLGHFATJ-LLVKDONJSA-N -1 1 372.761 2.799 20 5 FFBDMM CSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818158 741347563 /nfs/dbraw/zinc/34/75/63/741347563.db2.gz BTMNFPGKYMFRAB-UHFFFAOYSA-N -1 1 359.256 2.933 20 5 FFBDMM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000771801709 737757231 /nfs/dbraw/zinc/75/72/31/737757231.db2.gz PKETYXZJHHNUPN-UHFFFAOYSA-N -1 1 362.835 2.610 20 5 FFBDMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000771809022 737758162 /nfs/dbraw/zinc/75/81/62/737758162.db2.gz YHGRONAYNDMBQU-WCQYABFASA-N -1 1 362.835 2.730 20 5 FFBDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000917751090 737775424 /nfs/dbraw/zinc/77/54/24/737775424.db2.gz SPLOROWJJMOZOI-UHFFFAOYSA-N -1 1 351.340 2.574 20 5 FFBDMM CCSc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000778129022 738356510 /nfs/dbraw/zinc/35/65/10/738356510.db2.gz JVKUYUDFSREDHJ-UHFFFAOYSA-N -1 1 359.454 2.642 20 5 FFBDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800051979 740478645 /nfs/dbraw/zinc/47/86/45/740478645.db2.gz CHRFWEBBMCKSNL-UHFFFAOYSA-N -1 1 370.406 2.701 20 5 FFBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000800928302 740567016 /nfs/dbraw/zinc/56/70/16/740567016.db2.gz LLKBHLVNKOQQPH-UHFFFAOYSA-N -1 1 365.264 2.949 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808341021 741215801 /nfs/dbraw/zinc/21/58/01/741215801.db2.gz UNIARMYVMUJIST-ZUZCIYMTSA-N -1 1 370.814 2.649 20 5 FFBDMM Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809809365 741346118 /nfs/dbraw/zinc/34/61/18/741346118.db2.gz NMKSDFOJSAMARD-UHFFFAOYSA-N -1 1 359.766 2.569 20 5 FFBDMM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809821410 741348615 /nfs/dbraw/zinc/34/86/15/741348615.db2.gz RWQSMWMAANRCQI-YUMQZZPRSA-N -1 1 368.839 2.950 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCS2)cc1Cl ZINC000809833079 741351089 /nfs/dbraw/zinc/35/10/89/741351089.db2.gz XBZAAZKNXIRKQO-MRVPVSSYSA-N -1 1 368.839 2.951 20 5 FFBDMM CCSCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842974 741353155 /nfs/dbraw/zinc/35/31/55/741353155.db2.gz JITJEBKIPHQHTJ-UHFFFAOYSA-N -1 1 356.828 2.809 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1Cl ZINC000831086129 745478333 /nfs/dbraw/zinc/47/83/33/745478333.db2.gz LFTLVSYJCHUODB-MRVPVSSYSA-N -1 1 369.226 2.607 20 5 FFBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000011443715 845018963 /nfs/dbraw/zinc/01/89/63/845018963.db2.gz QBTXJGNFGPUXCQ-UHFFFAOYSA-N -1 1 366.374 2.913 20 5 FFBDMM CN1CCN(c2ccc(F)cc2Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001174505161 1013243482 /nfs/dbraw/zinc/24/34/82/1013243482.db2.gz RQLIATMZYHEKBF-UHFFFAOYSA-N -1 1 374.372 2.928 20 5 FFBDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000773578034 1013710264 /nfs/dbraw/zinc/71/02/64/1013710264.db2.gz DRLMZRRGPKXZMG-QMMMGPOBSA-N -1 1 366.276 2.763 20 5 FFBDMM Cc1cc(Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)ccc1[N+](=O)[O-] ZINC000436952798 977821730 /nfs/dbraw/zinc/82/17/30/977821730.db2.gz YYSJAMQZWZEWQR-UHFFFAOYSA-N -1 1 355.306 2.978 20 5 FFBDMM C[C@@](NC(=O)c1ccc(O)c(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593173579 994040371 /nfs/dbraw/zinc/04/03/71/994040371.db2.gz VVZSHWFYKMVGFX-INIZCTEOSA-N -1 1 364.741 2.684 20 5 FFBDMM COC(=O)[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC001598803732 996163757 /nfs/dbraw/zinc/16/37/57/996163757.db2.gz OCHTWSLROZXQQN-CJNGLKHVSA-N -1 1 364.398 2.556 20 5 FFBDMM O=C([O-])Cc1ccc(N2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844207130 997723417 /nfs/dbraw/zinc/72/34/17/997723417.db2.gz ZRCAJQJVVGKXID-UHFFFAOYSA-N -1 1 369.421 2.587 20 5 FFBDMM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC001594302133 999167299 /nfs/dbraw/zinc/16/72/99/999167299.db2.gz IMMTZOYMVDVBAG-TUAOUCFPSA-N -1 1 350.371 2.598 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1C[C@H]1Cc1ccccc1 ZINC001196013090 1003635071 /nfs/dbraw/zinc/63/50/71/1003635071.db2.gz ZJOPTTZXWXGBQX-ZIAGYGMSSA-N -1 1 364.398 2.891 20 5 FFBDMM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])s1 ZINC001193445645 1004479820 /nfs/dbraw/zinc/47/98/20/1004479820.db2.gz WSDFOOQGQVKOLU-MRVPVSSYSA-N -1 1 359.404 2.847 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCOC1 ZINC001193831275 1004592178 /nfs/dbraw/zinc/59/21/78/1004592178.db2.gz WIBLJHHIRHSKAE-NHYWBVRUSA-N -1 1 374.846 2.732 20 5 FFBDMM CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000882304617 1006347191 /nfs/dbraw/zinc/34/71/91/1006347191.db2.gz KEWXISSCTJBQGE-UHFFFAOYSA-N -1 1 373.331 2.692 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(F)cc1[N+](=O)[O-] ZINC001188182709 1006441514 /nfs/dbraw/zinc/44/15/14/1006441514.db2.gz AJSIKQNDWPUZFD-VIFPVBQESA-N -1 1 352.334 2.899 20 5 FFBDMM CCCSc1nc(Cl)c([N+](=O)[O-])c([N-]c2nccnc2CN)n1 ZINC001171440743 1011032398 /nfs/dbraw/zinc/03/23/98/1011032398.db2.gz HPFWKNZNJKUWLT-UHFFFAOYSA-N -1 1 355.811 2.533 20 5 FFBDMM O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071002 1019488868 /nfs/dbraw/zinc/48/88/68/1019488868.db2.gz BIAAWIUKNLBICB-INIZCTEOSA-N -1 1 356.334 2.653 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@H]4C[NH2+]CCC[C@@H]4F)cc3c([O-])c1-2 ZINC001217978313 1032928852 /nfs/dbraw/zinc/92/88/52/1032928852.db2.gz PSLZIIVMHCXYDB-GTNSWQLSSA-N -1 1 359.353 2.826 20 5 FFBDMM O=C(Nc1cccc(F)c1[O-])c1cc([N+](=O)[O-])ncc1Br ZINC001161732033 1028297639 /nfs/dbraw/zinc/29/76/39/1028297639.db2.gz KTPGDSKTMISADF-UHFFFAOYSA-N -1 1 356.107 2.849 20 5 FFBDMM CCOC(=O)c1nc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n[n-]1 ZINC001163696403 1029030223 /nfs/dbraw/zinc/03/02/23/1029030223.db2.gz OKPQLMDOMDUYTN-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1nnc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])[n-]1 ZINC001163696403 1029030243 /nfs/dbraw/zinc/03/02/43/1029030243.db2.gz OKPQLMDOMDUYTN-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001163696403 1029030249 /nfs/dbraw/zinc/03/02/49/1029030249.db2.gz OKPQLMDOMDUYTN-SECBINFHSA-N -1 1 356.342 2.611 20 5 FFBDMM CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784213779 1030512656 /nfs/dbraw/zinc/51/26/56/1030512656.db2.gz HIDPPKQEMVFEDV-CYBMUJFWSA-N -1 1 372.377 2.894 20 5 FFBDMM O=C([N-]C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1)C(F)(F)F ZINC001166894861 1030567121 /nfs/dbraw/zinc/56/71/21/1030567121.db2.gz WAMCDEKNFPTZAN-UHFFFAOYSA-N -1 1 368.315 2.790 20 5 FFBDMM O=C(Nc1ccc(Br)c([O-])c1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001138245182 1034012640 /nfs/dbraw/zinc/01/26/40/1034012640.db2.gz SZHPDHNAIUSNFH-CYBMUJFWSA-N -1 1 367.155 2.735 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])[C@H]2C1 ZINC001225664479 1034356619 /nfs/dbraw/zinc/35/66/19/1034356619.db2.gz OXPZSTKUSPRIIJ-GVXVVHGQSA-N -1 1 365.386 2.720 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1COCc2ccccc21 ZINC001226308975 1034623704 /nfs/dbraw/zinc/62/37/04/1034623704.db2.gz ARKGVLNROALOFT-CYBMUJFWSA-N -1 1 360.322 2.522 20 5 FFBDMM Cc1nc(=O)[n-]c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1Br ZINC001226781577 1034836316 /nfs/dbraw/zinc/83/63/16/1034836316.db2.gz KAFNHDOQTWLSIA-NSHDSACASA-N -1 1 366.171 2.708 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000833909038 1035286433 /nfs/dbraw/zinc/28/64/33/1035286433.db2.gz RNHXZILWDPYQSN-GFCCVEGCSA-N -1 1 372.337 2.623 20 5 FFBDMM CC(=O)N1CCC(Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)CC1 ZINC001227306357 1035501284 /nfs/dbraw/zinc/50/12/84/1035501284.db2.gz IYAMFNABMXTWPH-UHFFFAOYSA-N -1 1 369.373 2.747 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3COC[C@H]3F)c([N+](=O)[O-])c2)cc1 ZINC001227699283 1035681470 /nfs/dbraw/zinc/68/14/70/1035681470.db2.gz FRNYMYRZYOLGOG-CZUORRHYSA-N -1 1 361.325 2.956 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@@H]2C1 ZINC001229395050 1036650198 /nfs/dbraw/zinc/65/01/98/1036650198.db2.gz DUTBCILXNKINAA-ZKYQVNSYSA-N -1 1 350.371 2.935 20 5 FFBDMM CCOC(=O)[C@H]1CC[C@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CO1 ZINC001233497822 1036661444 /nfs/dbraw/zinc/66/14/44/1036661444.db2.gz IFZFGDJXPYPALK-ISVAXAHUSA-N -1 1 369.761 2.614 20 5 FFBDMM C[C@H](CN1CCOCC1)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518791 1036717003 /nfs/dbraw/zinc/71/70/03/1036717003.db2.gz XNNCIFIYCMKMEF-CYBMUJFWSA-N -1 1 355.390 2.751 20 5 FFBDMM CC(C)C(=O)N1CC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741431 1037161616 /nfs/dbraw/zinc/16/16/16/1037161616.db2.gz IFXBPKLWLRZOGC-UHFFFAOYSA-N -1 1 369.373 2.603 20 5 FFBDMM CC1(C)COC(=O)[C@@H]1Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234745646 1037164641 /nfs/dbraw/zinc/16/46/41/1037164641.db2.gz VZOJLMNYBPNWDX-KRWDZBQOSA-N -1 1 356.330 2.688 20 5 FFBDMM C[C@@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1cncnc1 ZINC001234751199 1037167041 /nfs/dbraw/zinc/16/70/41/1037167041.db2.gz STSZSQUMKFIULI-SECBINFHSA-N -1 1 366.329 2.993 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2CN([C@H](C)c3ccccc3)C(=O)O2)n1 ZINC001231262274 1037515999 /nfs/dbraw/zinc/51/59/99/1037515999.db2.gz DXQAOBUVSGVAJF-TZMCWYRMSA-N -1 1 373.365 2.965 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)cc1F ZINC001208040645 1037966070 /nfs/dbraw/zinc/96/60/70/1037966070.db2.gz NBOCDGGKXIOHCO-NSHDSACASA-N -1 1 356.375 2.935 20 5 FFBDMM CC1(C)CC[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])OC1 ZINC001213886057 1041026340 /nfs/dbraw/zinc/02/63/40/1041026340.db2.gz ISQQGZPOUYLISU-LLVKDONJSA-N -1 1 360.407 2.608 20 5 FFBDMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001318713651 1044830017 /nfs/dbraw/zinc/83/00/17/1044830017.db2.gz BGLIYMMIKDSJPP-MCIONIFRSA-N -1 1 355.460 2.977 20 5 FFBDMM O=[N+]([O-])c1ccc2c(c1)CN(Cn1[n-]c(-c3ccccn3)nc1=S)C2 ZINC001319156336 1045048072 /nfs/dbraw/zinc/04/80/72/1045048072.db2.gz HKJXZTDIVSTLPU-UHFFFAOYSA-N -1 1 354.395 2.884 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001331689383 1048061349 /nfs/dbraw/zinc/06/13/49/1048061349.db2.gz ODMKODOKQHHTEN-HNNXBMFYSA-N -1 1 372.418 2.752 20 5 FFBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC001298980706 1050567895 /nfs/dbraw/zinc/56/78/95/1050567895.db2.gz OYEXNJMFWJFACB-UHFFFAOYSA-N -1 1 356.697 2.539 20 5 FFBDMM CSc1ncc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001301122665 1050818271 /nfs/dbraw/zinc/81/82/71/1050818271.db2.gz VMEOJEMFWSEKGA-UHFFFAOYSA-N -1 1 360.395 2.795 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)cc1F ZINC001309111128 1052557468 /nfs/dbraw/zinc/55/74/68/1052557468.db2.gz VTHMQQFRGSFUJE-UHFFFAOYSA-N -1 1 360.313 2.799 20 5 FFBDMM O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc([O-])cn1 ZINC001451528310 1059124359 /nfs/dbraw/zinc/12/43/59/1059124359.db2.gz LYAKBVAHRJLMOB-LBPRGKRZSA-N -1 1 359.235 2.868 20 5 FFBDMM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])s1 ZINC001475649062 1061180993 /nfs/dbraw/zinc/18/09/93/1061180993.db2.gz CMOKYHLVSYJIPA-UHFFFAOYSA-N -1 1 355.441 2.827 20 5 FFBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC001530560337 1062595147 /nfs/dbraw/zinc/59/51/47/1062595147.db2.gz XXDDBCUXQDPAFH-UHFFFAOYSA-N -1 1 370.333 2.837 20 5 FFBDMM COc1ccc(F)c(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001580032386 1078733104 /nfs/dbraw/zinc/73/31/04/1078733104.db2.gz AWVOYCGAMRFZCW-UHFFFAOYSA-N -1 1 350.335 2.596 20 5 FFBDMM COc1ccc(F)c(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001580032386 1078733107 /nfs/dbraw/zinc/73/31/07/1078733107.db2.gz AWVOYCGAMRFZCW-UHFFFAOYSA-N -1 1 350.335 2.596 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001581213898 1078939682 /nfs/dbraw/zinc/93/96/82/1078939682.db2.gz PQMGPTJNHDUUTI-UHFFFAOYSA-N -1 1 359.367 2.810 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001581213898 1078939686 /nfs/dbraw/zinc/93/96/86/1078939686.db2.gz PQMGPTJNHDUUTI-UHFFFAOYSA-N -1 1 359.367 2.810 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCc2c(F)cc(F)cc2C1 ZINC001582801773 1079108867 /nfs/dbraw/zinc/10/88/67/1079108867.db2.gz DLRLLSNCRQFRRN-UHFFFAOYSA-N -1 1 358.308 2.616 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCc2c(F)cc(F)cc2C1 ZINC001582801773 1079108872 /nfs/dbraw/zinc/10/88/72/1079108872.db2.gz DLRLLSNCRQFRRN-UHFFFAOYSA-N -1 1 358.308 2.616 20 5 FFBDMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001556677207 1075763927 /nfs/dbraw/zinc/76/39/27/1075763927.db2.gz BYSWVMRZVNOXCD-CQSZACIVSA-N -1 1 368.393 2.988 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001574572894 1078022627 /nfs/dbraw/zinc/02/26/27/1078022627.db2.gz CWNSQTVHUQYQPR-BONVTDFDSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001574572894 1078022633 /nfs/dbraw/zinc/02/26/33/1078022633.db2.gz CWNSQTVHUQYQPR-BONVTDFDSA-N -1 1 372.360 2.838 20 5 FFBDMM CC(C)(C(=O)NOCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001589575020 1080613387 /nfs/dbraw/zinc/61/33/87/1080613387.db2.gz UPQZCGLMAQMBLV-UHFFFAOYSA-N -1 1 358.350 2.819 20 5 FFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC001589984107 1080921637 /nfs/dbraw/zinc/92/16/37/1080921637.db2.gz KEEPAOPEFDNTDD-VIFPVBQESA-N -1 1 354.326 2.677 20 5 FFBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC001589984107 1080921642 /nfs/dbraw/zinc/92/16/42/1080921642.db2.gz KEEPAOPEFDNTDD-VIFPVBQESA-N -1 1 354.326 2.677 20 5 FFBDMM C[C@@](O)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589989943 1080924749 /nfs/dbraw/zinc/92/47/49/1080924749.db2.gz GNLGZLRVMPLDOS-MRXNPFEDSA-N -1 1 374.788 2.748 20 5 FFBDMM C[C@@](O)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589989943 1080924751 /nfs/dbraw/zinc/92/47/51/1080924751.db2.gz GNLGZLRVMPLDOS-MRXNPFEDSA-N -1 1 374.788 2.748 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001590239901 1081114338 /nfs/dbraw/zinc/11/43/38/1081114338.db2.gz NOJXTGGTHKHIKJ-ZUFFMMDNSA-N -1 1 372.429 2.541 20 5 FFBDMM Cc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1C ZINC000121281341 250681972 /nfs/dbraw/zinc/68/19/72/250681972.db2.gz UHSYBPZHZJYWDZ-UHFFFAOYSA-N -1 1 371.393 2.996 20 5 FFBDMM CC(C)=CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000480732342 515060738 /nfs/dbraw/zinc/06/07/38/515060738.db2.gz DHCWNQOXFBEEGI-UHFFFAOYSA-N -1 1 363.233 2.992 20 5 FFBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000055315651 506724857 /nfs/dbraw/zinc/72/48/57/506724857.db2.gz PLXYQCFCHYUTJD-UHFFFAOYSA-N -1 1 369.377 2.739 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000451084367 513506525 /nfs/dbraw/zinc/50/65/25/513506525.db2.gz RBAALRRFGNMSFG-QMMMGPOBSA-N -1 1 373.175 2.679 20 5 FFBDMM CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000068071447 507098591 /nfs/dbraw/zinc/09/85/91/507098591.db2.gz JCVYMQBVRAVDFM-UHFFFAOYSA-N -1 1 364.383 2.767 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cc1C ZINC000071092466 507694686 /nfs/dbraw/zinc/69/46/86/507694686.db2.gz VZMVJXXZCOQJQU-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000111666024 508114747 /nfs/dbraw/zinc/11/47/47/508114747.db2.gz ZQGXKXCWHJXCBQ-UHFFFAOYSA-N -1 1 359.729 2.787 20 5 FFBDMM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000077617047 508341469 /nfs/dbraw/zinc/34/14/69/508341469.db2.gz VECGGAALUFRCEZ-SKDRFNHKSA-N -1 1 354.359 2.929 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000116361643 508503252 /nfs/dbraw/zinc/50/32/52/508503252.db2.gz JRZYJNLGJFHLMZ-XVKPBYJWSA-N -1 1 360.363 2.769 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)s1 ZINC000157258241 508544196 /nfs/dbraw/zinc/54/41/96/508544196.db2.gz VIKKEEXVGTWJHY-BYCMXARLSA-N -1 1 350.421 2.663 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3)[nH]n2)c1 ZINC000153191893 508557328 /nfs/dbraw/zinc/55/73/28/508557328.db2.gz JCMHTFPBXJWZKJ-UHFFFAOYSA-N -1 1 362.342 2.925 20 5 FFBDMM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000129829171 508771165 /nfs/dbraw/zinc/77/11/65/508771165.db2.gz ICMFPCJYQBOMCW-UHFFFAOYSA-N -1 1 373.384 2.834 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2ccncc2)cs1 ZINC000154392558 508774849 /nfs/dbraw/zinc/77/48/49/508774849.db2.gz XWBPJGJICAAKNE-SECBINFHSA-N -1 1 371.378 2.705 20 5 FFBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000125210878 508948373 /nfs/dbraw/zinc/94/83/73/508948373.db2.gz VCECSFYXKXDOLK-LBPRGKRZSA-N -1 1 370.452 2.593 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ncc(-c2ccccc2)o1 ZINC000156016391 509110523 /nfs/dbraw/zinc/11/05/23/509110523.db2.gz XXKMUOXVILTXNX-JTQLQIEISA-N -1 1 354.322 2.841 20 5 FFBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000185719940 509323125 /nfs/dbraw/zinc/32/31/25/509323125.db2.gz YWBOMZCUPRKJCT-ZIAGYGMSSA-N -1 1 351.403 2.751 20 5 FFBDMM Cc1ccccc1[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000185741491 509333206 /nfs/dbraw/zinc/33/32/06/509333206.db2.gz BIKRVNYTOOFPKR-LRDDRELGSA-N -1 1 357.366 2.606 20 5 FFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000185749288 509336566 /nfs/dbraw/zinc/33/65/66/509336566.db2.gz ODIXVXNEUAXYRQ-SECBINFHSA-N -1 1 351.746 2.546 20 5 FFBDMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185910969 509421071 /nfs/dbraw/zinc/42/10/71/509421071.db2.gz QZDCKEPYXOWMEW-TZMCWYRMSA-N -1 1 363.757 2.609 20 5 FFBDMM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189163257 509444176 /nfs/dbraw/zinc/44/41/76/509444176.db2.gz HLWISVKHAXLSCM-VIFPVBQESA-N -1 1 371.802 2.691 20 5 FFBDMM O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000164792325 509534966 /nfs/dbraw/zinc/53/49/66/509534966.db2.gz UVKRERCCCGEWKP-UHFFFAOYSA-N -1 1 373.760 2.626 20 5 FFBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000164792325 509534972 /nfs/dbraw/zinc/53/49/72/509534972.db2.gz UVKRERCCCGEWKP-UHFFFAOYSA-N -1 1 373.760 2.626 20 5 FFBDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173523133 509640431 /nfs/dbraw/zinc/64/04/31/509640431.db2.gz UIIBRZGLDAHMAX-VIFPVBQESA-N -1 1 350.824 2.730 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000173831588 509804743 /nfs/dbraw/zinc/80/47/43/509804743.db2.gz DBAZONFQLNEGHL-LLVKDONJSA-N -1 1 350.824 2.588 20 5 FFBDMM COc1ccc2ccccc2c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193400036 509899240 /nfs/dbraw/zinc/89/92/40/509899240.db2.gz JXXJBGDEDQOUGW-UHFFFAOYSA-N -1 1 353.334 2.787 20 5 FFBDMM CN(Cc1ccccc1C(F)(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186864087 509919445 /nfs/dbraw/zinc/91/94/45/509919445.db2.gz KAKLXSZAMYPTMH-UHFFFAOYSA-N -1 1 355.272 2.986 20 5 FFBDMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187043583 510024792 /nfs/dbraw/zinc/02/47/92/510024792.db2.gz ANLQICNAMNIYKL-AWEZNQCLSA-N -1 1 357.366 2.551 20 5 FFBDMM CCO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C12CCCCC2 ZINC000187131140 510077556 /nfs/dbraw/zinc/07/75/56/510077556.db2.gz OAZULPWOOWSXAM-CABCVRRESA-N -1 1 363.414 2.895 20 5 FFBDMM Cc1ccc(C)c(OC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000194287141 510296794 /nfs/dbraw/zinc/29/67/94/510296794.db2.gz QBIKEUYEOJZEHP-UHFFFAOYSA-N -1 1 371.393 2.996 20 5 FFBDMM COCCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185041008 510651070 /nfs/dbraw/zinc/65/10/70/510651070.db2.gz COEXLECVUABQMR-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM CC(C)c1nc([C@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272161708 511451322 /nfs/dbraw/zinc/45/13/22/511451322.db2.gz HWGUKQGOYTXEMO-VIFPVBQESA-N -1 1 353.329 2.806 20 5 FFBDMM CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382595160 512877560 /nfs/dbraw/zinc/87/75/60/512877560.db2.gz KHYOLGOHQBLMSW-UHFFFAOYSA-N -1 1 370.409 2.789 20 5 FFBDMM O=C(NCC1(c2c(F)cccc2F)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412633814 513200289 /nfs/dbraw/zinc/20/02/89/513200289.db2.gz XSGUTEGGHCSVCK-UHFFFAOYSA-N -1 1 363.320 2.825 20 5 FFBDMM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000416615832 513869137 /nfs/dbraw/zinc/86/91/37/513869137.db2.gz BANMQASWROHPRV-AAEUAGOBSA-N -1 1 368.436 2.747 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000427632301 514271068 /nfs/dbraw/zinc/27/10/68/514271068.db2.gz VHZJWYVVFDYAHQ-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1[N+](=O)[O-] ZINC000427801516 514317466 /nfs/dbraw/zinc/31/74/66/514317466.db2.gz SOPAZTKHPJJVQI-UHFFFAOYSA-N -1 1 361.423 2.958 20 5 FFBDMM Cc1ccc(F)c(-c2cc(=NC(=O)COc3cccc([N+](=O)[O-])c3)[nH][n-]2)c1 ZINC000444820617 514342514 /nfs/dbraw/zinc/34/25/14/514342514.db2.gz XJRIMXIRLDNYRV-UHFFFAOYSA-N -1 1 370.340 2.872 20 5 FFBDMM O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000427915344 514344639 /nfs/dbraw/zinc/34/46/39/514344639.db2.gz JHFGRLDTYAZVHO-UHFFFAOYSA-N -1 1 355.394 2.649 20 5 FFBDMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003997 514386014 /nfs/dbraw/zinc/38/60/14/514386014.db2.gz DLXWXWNSGMTROZ-GZMMTYOYSA-N -1 1 351.721 2.774 20 5 FFBDMM COC(=O)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc([N+](=O)[O-])c1 ZINC000445462606 514483482 /nfs/dbraw/zinc/48/34/82/514483482.db2.gz LFJLKODOLPRQJM-UHFFFAOYSA-N -1 1 359.269 2.943 20 5 FFBDMM O=C(NCCc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507872358 514591366 /nfs/dbraw/zinc/59/13/66/514591366.db2.gz IXLASEUNLZVRAC-UHFFFAOYSA-N -1 1 355.272 2.687 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000488890796 514623282 /nfs/dbraw/zinc/62/32/82/514623282.db2.gz MNEDOYQWZGSZAA-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466973819 514846563 /nfs/dbraw/zinc/84/65/63/514846563.db2.gz HJBQKSMKNADEHQ-UHFFFAOYSA-N -1 1 352.344 2.735 20 5 FFBDMM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000476397353 515033372 /nfs/dbraw/zinc/03/33/72/515033372.db2.gz KTJRGUWXNDBUJW-UHFFFAOYSA-N -1 1 350.352 2.711 20 5 FFBDMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462408854 515037963 /nfs/dbraw/zinc/03/79/63/515037963.db2.gz OKMKKQACSRGNPY-LLVKDONJSA-N -1 1 371.846 2.886 20 5 FFBDMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480738839 515064601 /nfs/dbraw/zinc/06/46/01/515064601.db2.gz YHDFYUQNCCBCLR-LBPRGKRZSA-N -1 1 370.452 2.593 20 5 FFBDMM COCC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000503775109 515139645 /nfs/dbraw/zinc/13/96/45/515139645.db2.gz PXSUAMFLTBTICA-CYBMUJFWSA-N -1 1 368.411 2.861 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000505217721 515478698 /nfs/dbraw/zinc/47/86/98/515478698.db2.gz SDMBHDJLLUSXKV-SNVBAGLBSA-N -1 1 371.328 2.511 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000468788650 515520792 /nfs/dbraw/zinc/52/07/92/515520792.db2.gz BYGJOFIVHGMYJT-UHFFFAOYSA-N -1 1 368.415 2.716 20 5 FFBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000481979191 515535882 /nfs/dbraw/zinc/53/58/82/515535882.db2.gz TUBNJQAWCOZSEU-UHFFFAOYSA-N -1 1 364.379 2.784 20 5 FFBDMM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473356458 515587477 /nfs/dbraw/zinc/58/74/77/515587477.db2.gz KNFIDLOSCQTASS-UHFFFAOYSA-N -1 1 371.328 2.851 20 5 FFBDMM COc1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000479152643 516081132 /nfs/dbraw/zinc/08/11/32/516081132.db2.gz GXFXRUIRCHGJIG-LBPRGKRZSA-N -1 1 368.333 2.613 20 5 FFBDMM CSc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000479183618 516093285 /nfs/dbraw/zinc/09/32/85/516093285.db2.gz HLKDPXDKQODDNC-UHFFFAOYSA-N -1 1 368.392 2.816 20 5 FFBDMM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccncc3[O-])cc2[N+](=O)[O-])C1 ZINC000512008557 516114395 /nfs/dbraw/zinc/11/43/95/516114395.db2.gz LOKNOAIPVBVHQA-CHWSQXEVSA-N -1 1 370.409 2.852 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000531384116 516441534 /nfs/dbraw/zinc/44/15/34/516441534.db2.gz MERDUGYIXBKIOH-UHFFFAOYSA-N -1 1 354.315 2.541 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(Cl)c1 ZINC000561559499 516651494 /nfs/dbraw/zinc/65/14/94/516651494.db2.gz NTAABOIOCDKAGY-UHFFFAOYSA-N -1 1 358.725 2.867 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccnc3)on2)cc([N+](=O)[O-])c1 ZINC000524768980 516823039 /nfs/dbraw/zinc/82/30/39/516823039.db2.gz OYWLWBAYOMWYPQ-UHFFFAOYSA-N -1 1 368.305 2.684 20 5 FFBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000538011355 517437924 /nfs/dbraw/zinc/43/79/24/517437924.db2.gz MHWRKZXFWLCXCZ-UHFFFAOYSA-N -1 1 373.390 2.854 20 5 FFBDMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccn1 ZINC000522064898 517973327 /nfs/dbraw/zinc/97/33/27/517973327.db2.gz ZLHPIPHVJSTWAY-GFCCVEGCSA-N -1 1 374.397 2.834 20 5 FFBDMM CC[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000567977539 518810775 /nfs/dbraw/zinc/81/07/75/518810775.db2.gz CORSCJBIAKXIGE-OAHLLOKOSA-N -1 1 370.409 2.789 20 5 FFBDMM Cc1cc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580556182 519237589 /nfs/dbraw/zinc/23/75/89/519237589.db2.gz GOXXQWWUMNMWAB-BETUJISGSA-N -1 1 365.430 2.901 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594489299 519998415 /nfs/dbraw/zinc/99/84/15/519998415.db2.gz YGZMCMXQYDZJHR-WCQYABFASA-N -1 1 362.835 2.874 20 5 FFBDMM CC(C)n1cnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000600070615 520028239 /nfs/dbraw/zinc/02/82/39/520028239.db2.gz FBSPQVSNJGMSIO-UHFFFAOYSA-N -1 1 354.164 2.782 20 5 FFBDMM O=C(c1ncc2ccccc2c1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000597576653 520114173 /nfs/dbraw/zinc/11/41/73/520114173.db2.gz WZBYUXLZGJHCAG-UHFFFAOYSA-N -1 1 367.365 2.522 20 5 FFBDMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594749905 520131611 /nfs/dbraw/zinc/13/16/11/520131611.db2.gz DQYOWMQCHDGYGD-UHFFFAOYSA-N -1 1 365.411 2.646 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000608908925 520160694 /nfs/dbraw/zinc/16/06/94/520160694.db2.gz BWWNEEXSGHWIOY-UHFFFAOYSA-N -1 1 373.394 2.539 20 5 FFBDMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000600378277 520231036 /nfs/dbraw/zinc/23/10/36/520231036.db2.gz KPPSSGXNKWIIDF-HDJSIYSDSA-N -1 1 351.403 2.799 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600489496 520290774 /nfs/dbraw/zinc/29/07/74/520290774.db2.gz RRJMVJOSZIOSBN-UHFFFAOYSA-N -1 1 367.283 2.913 20 5 FFBDMM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]c1C(C)C ZINC000592385097 520362535 /nfs/dbraw/zinc/36/25/35/520362535.db2.gz RBZPJZAOYWCAEV-UHFFFAOYSA-N -1 1 352.416 2.734 20 5 FFBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600675409 520391645 /nfs/dbraw/zinc/39/16/45/520391645.db2.gz MNEOZWYOSUVUAN-PTEHBNRSSA-N -1 1 360.370 2.718 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595362613 520430323 /nfs/dbraw/zinc/43/03/23/520430323.db2.gz MJDHSLLMSVQONV-UHFFFAOYSA-N -1 1 361.217 2.746 20 5 FFBDMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609922016 520482065 /nfs/dbraw/zinc/48/20/65/520482065.db2.gz IFRLZCZRVBKSBF-XPTSAGLGSA-N -1 1 365.773 2.855 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000600831698 520493970 /nfs/dbraw/zinc/49/39/70/520493970.db2.gz POHSPBAEXCMYCC-UHFFFAOYSA-N -1 1 361.329 2.518 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598780030 520841083 /nfs/dbraw/zinc/84/10/83/520841083.db2.gz NWIDLNWETFKVQD-UHFFFAOYSA-N -1 1 367.361 2.776 20 5 FFBDMM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823445197 606178348 /nfs/dbraw/zinc/17/83/48/606178348.db2.gz VRZYPVRYFJRAFE-UHFFFAOYSA-N -1 1 351.731 2.709 20 5 FFBDMM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823445197 606178350 /nfs/dbraw/zinc/17/83/50/606178350.db2.gz VRZYPVRYFJRAFE-UHFFFAOYSA-N -1 1 351.731 2.709 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820120664 606531895 /nfs/dbraw/zinc/53/18/95/606531895.db2.gz IINIUBZYPQKDIH-UHFFFAOYSA-N -1 1 372.410 2.887 20 5 FFBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820120664 606531897 /nfs/dbraw/zinc/53/18/97/606531897.db2.gz IINIUBZYPQKDIH-UHFFFAOYSA-N -1 1 372.410 2.887 20 5 FFBDMM Cc1cc(C)c(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000822193979 606699941 /nfs/dbraw/zinc/69/99/41/606699941.db2.gz CJEGXVJGRPEGFZ-UHFFFAOYSA-N -1 1 353.386 2.750 20 5 FFBDMM Cc1cc(C)c(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000822193979 606699943 /nfs/dbraw/zinc/69/99/43/606699943.db2.gz CJEGXVJGRPEGFZ-UHFFFAOYSA-N -1 1 353.386 2.750 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2c1cccc2Cl ZINC000823619774 606702201 /nfs/dbraw/zinc/70/22/01/606702201.db2.gz AZOIVNNSEFWSAZ-LBPRGKRZSA-N -1 1 357.761 2.923 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2c1cccc2Cl ZINC000823619774 606702203 /nfs/dbraw/zinc/70/22/03/606702203.db2.gz AZOIVNNSEFWSAZ-LBPRGKRZSA-N -1 1 357.761 2.923 20 5 FFBDMM C[C@H](OCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820518441 607164190 /nfs/dbraw/zinc/16/41/90/607164190.db2.gz DRLWPWCEGRVPEJ-LBPRGKRZSA-N -1 1 369.385 2.750 20 5 FFBDMM C[C@H](OCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820518441 607164191 /nfs/dbraw/zinc/16/41/91/607164191.db2.gz DRLWPWCEGRVPEJ-LBPRGKRZSA-N -1 1 369.385 2.750 20 5 FFBDMM O=C(CSc1ccc(F)cc1F)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000746199718 735469753 /nfs/dbraw/zinc/46/97/53/735469753.db2.gz LMBCFFXAJUZLJX-UHFFFAOYSA-N -1 1 352.318 2.922 20 5 FFBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1[N+](=O)[O-] ZINC000071895563 728209500 /nfs/dbraw/zinc/20/95/00/728209500.db2.gz DVHUEWOYLWLYLI-UHFFFAOYSA-N -1 1 362.342 2.665 20 5 FFBDMM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000093931720 728478827 /nfs/dbraw/zinc/47/88/27/728478827.db2.gz HZZPNWRMEILOOT-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM CCOCCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000125077273 728677943 /nfs/dbraw/zinc/67/79/43/728677943.db2.gz PGFLXEFOFNHWPJ-UHFFFAOYSA-N -1 1 374.434 2.999 20 5 FFBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000170735039 728987955 /nfs/dbraw/zinc/98/79/55/728987955.db2.gz GILVEAWFOKEXSG-CYBMUJFWSA-N -1 1 370.814 2.914 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc([N+](=O)[O-])c1F ZINC000179188779 729179950 /nfs/dbraw/zinc/17/99/50/729179950.db2.gz PCOROQCKBWPKOY-UHFFFAOYSA-N -1 1 352.343 2.778 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000194350818 729507987 /nfs/dbraw/zinc/50/79/87/729507987.db2.gz AACRLKRGPRYGGX-VIFPVBQESA-N -1 1 369.330 2.682 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000323738562 729755500 /nfs/dbraw/zinc/75/55/00/729755500.db2.gz PTDRGIHHCBBANF-JTQLQIEISA-N -1 1 363.233 2.824 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 ZINC000780074574 738513992 /nfs/dbraw/zinc/51/39/92/738513992.db2.gz IZHUKWZPJDNEMN-NSHDSACASA-N -1 1 350.371 2.637 20 5 FFBDMM CSc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780075872 738514624 /nfs/dbraw/zinc/51/46/24/738514624.db2.gz NETYRYCUIZGSSG-UHFFFAOYSA-N -1 1 362.363 2.818 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000867735992 731218392 /nfs/dbraw/zinc/21/83/92/731218392.db2.gz JECFGQBYKAYPMN-FZMZJTMJSA-N -1 1 374.846 2.732 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCOC1 ZINC000867735994 731218437 /nfs/dbraw/zinc/21/84/37/731218437.db2.gz JECFGQBYKAYPMN-SMDDNHRTSA-N -1 1 374.846 2.732 20 5 FFBDMM COc1ccc(C(=O)[N-]C(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000753943296 736109261 /nfs/dbraw/zinc/10/92/61/736109261.db2.gz SBZMAMRXSLQUIO-UHFFFAOYSA-N -1 1 360.391 2.793 20 5 FFBDMM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768795454 737458588 /nfs/dbraw/zinc/45/85/88/737458588.db2.gz SADODVXRGLETOP-SECBINFHSA-N -1 1 372.424 2.713 20 5 FFBDMM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000768883491 737471874 /nfs/dbraw/zinc/47/18/74/737471874.db2.gz LNOJCYXJAXUTNY-UHFFFAOYSA-N -1 1 371.440 2.707 20 5 FFBDMM COc1cc(F)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000768883233 737471913 /nfs/dbraw/zinc/47/19/13/737471913.db2.gz YMNCQLOTNXHSJF-UHFFFAOYSA-N -1 1 362.360 2.613 20 5 FFBDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768886228 737472202 /nfs/dbraw/zinc/47/22/02/737472202.db2.gz BRHJJLUJHDOZBD-UHFFFAOYSA-N -1 1 356.381 2.718 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000769049739 737489850 /nfs/dbraw/zinc/48/98/50/737489850.db2.gz VPWTZADWPMRQMY-QMMMGPOBSA-N -1 1 365.729 2.533 20 5 FFBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000770481056 737631151 /nfs/dbraw/zinc/63/11/51/737631151.db2.gz NLLJEBQLRCOYIF-SSDOTTSWSA-N -1 1 361.745 2.716 20 5 FFBDMM Cc1ncc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000771954915 737769802 /nfs/dbraw/zinc/76/98/02/737769802.db2.gz DXDXUJMRIFEBLL-UHFFFAOYSA-N -1 1 361.832 2.534 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000788749345 739279331 /nfs/dbraw/zinc/27/93/31/739279331.db2.gz SHQLTHCCSYRDPA-UHFFFAOYSA-N -1 1 362.363 2.779 20 5 FFBDMM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1nc(Cl)ccc1[O-] ZINC000790048395 739412578 /nfs/dbraw/zinc/41/25/78/739412578.db2.gz PZVIJNCETVVRAU-UHFFFAOYSA-N -1 1 366.717 2.828 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000797458134 740248605 /nfs/dbraw/zinc/24/86/05/740248605.db2.gz ZTJOLAQXIPNXAO-QMMMGPOBSA-N -1 1 354.762 2.962 20 5 FFBDMM COCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809392906 741304990 /nfs/dbraw/zinc/30/49/90/741304990.db2.gz KKQOKSBGEGYEMZ-ZETCQYMHSA-N -1 1 357.215 2.605 20 5 FFBDMM Cc1ocnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829129 741350160 /nfs/dbraw/zinc/35/01/60/741350160.db2.gz ZURZSRZCIBPKRN-UHFFFAOYSA-N -1 1 366.182 2.677 20 5 FFBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829284 741350268 /nfs/dbraw/zinc/35/02/68/741350268.db2.gz CSNYYDGTOJQLNQ-ZETCQYMHSA-N -1 1 356.828 2.807 20 5 FFBDMM CCC[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000809845194 741353508 /nfs/dbraw/zinc/35/35/08/741353508.db2.gz GVIVAXHTZSGQFO-CYBMUJFWSA-N -1 1 366.798 2.625 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000815022695 741884423 /nfs/dbraw/zinc/88/44/23/741884423.db2.gz WLDLPQXKCKJDAV-GFCCVEGCSA-N -1 1 368.814 2.727 20 5 FFBDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000815037166 741888464 /nfs/dbraw/zinc/88/84/64/741888464.db2.gz HERHYBUVHUNXQF-MRVPVSSYSA-N -1 1 366.798 2.623 20 5 FFBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000828381293 745061027 /nfs/dbraw/zinc/06/10/27/745061027.db2.gz MRFHYOJAERBBTR-MUWHJKNJSA-N -1 1 354.812 2.560 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000829708765 745248400 /nfs/dbraw/zinc/24/84/00/745248400.db2.gz QLNKYKVYZDQJPG-UHFFFAOYSA-N -1 1 360.754 2.789 20 5 FFBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)(C)O ZINC000831637662 745558374 /nfs/dbraw/zinc/55/83/74/745558374.db2.gz RLAISEBUXMPMBU-SECBINFHSA-N -1 1 371.242 2.729 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000841528148 747385694 /nfs/dbraw/zinc/38/56/94/747385694.db2.gz REOIQYYBHASPTG-UHFFFAOYSA-N -1 1 354.762 2.962 20 5 FFBDMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)O1 ZINC000841536006 747388679 /nfs/dbraw/zinc/38/86/79/747388679.db2.gz YJNZFJLIOYTKHN-SFYZADRCSA-N -1 1 369.226 2.747 20 5 FFBDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841565969 747403779 /nfs/dbraw/zinc/40/37/79/747403779.db2.gz BUSUYAVYLPCBFI-UHFFFAOYSA-N -1 1 368.814 2.869 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848466790 748934268 /nfs/dbraw/zinc/93/42/68/748934268.db2.gz UELSDVLFKDMNOG-HIFRSBDPSA-N -1 1 374.846 2.874 20 5 FFBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])O1 ZINC000849461305 749165722 /nfs/dbraw/zinc/16/57/22/749165722.db2.gz WSKCZQTZBFKJPC-BDAKNGLRSA-N -1 1 366.798 2.623 20 5 FFBDMM CCSC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000851819998 749687559 /nfs/dbraw/zinc/68/75/59/749687559.db2.gz ODWFVQGXVHDSGF-UHFFFAOYSA-N -1 1 368.839 2.951 20 5 FFBDMM CN1CCN(Cc2ccccc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001176676693 1013750235 /nfs/dbraw/zinc/75/02/35/1013750235.db2.gz IBVVUHJPDIAYAM-UHFFFAOYSA-N -1 1 370.409 2.784 20 5 FFBDMM CNc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1[N+](=O)[O-] ZINC000744459439 999858247 /nfs/dbraw/zinc/85/82/47/999858247.db2.gz BBLUNSFCGPXERF-UHFFFAOYSA-N -1 1 358.350 2.944 20 5 FFBDMM O=[N+]([O-])c1ccc2cnn(Cc3nc(-c4ccc([O-])c(F)c4)no3)c2c1 ZINC000771225766 1001056564 /nfs/dbraw/zinc/05/65/64/1001056564.db2.gz WLAAZGVRGFWFRW-UHFFFAOYSA-N -1 1 355.285 2.888 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001196013087 1003634860 /nfs/dbraw/zinc/63/48/60/1003634860.db2.gz ZJOPTTZXWXGBQX-KBPBESRZSA-N -1 1 364.398 2.891 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC001193831273 1004592401 /nfs/dbraw/zinc/59/24/01/1004592401.db2.gz WIBLJHHIRHSKAE-ABAIWWIYSA-N -1 1 374.846 2.732 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1[N+](=O)[O-] ZINC001194365868 1004712715 /nfs/dbraw/zinc/71/27/15/1004712715.db2.gz YIRDYFBSXGXWOE-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc2c(s1)CCC2 ZINC001194717779 1004803176 /nfs/dbraw/zinc/80/31/76/1004803176.db2.gz LUMBUBMZRREURT-UHFFFAOYSA-N -1 1 373.843 2.672 20 5 FFBDMM Cc1nc([C@@](C)([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000817622963 1007686641 /nfs/dbraw/zinc/68/66/41/1007686641.db2.gz FDVGVTULQIZOBI-HNNXBMFYSA-N -1 1 366.324 2.820 20 5 FFBDMM COc1cnc(C=Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000821007105 1008408621 /nfs/dbraw/zinc/40/86/21/1008408621.db2.gz CQHCVZAPSAQMMG-VMPITWQZSA-N -1 1 353.338 2.670 20 5 FFBDMM O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000861538423 1009455132 /nfs/dbraw/zinc/45/51/32/1009455132.db2.gz ZGSGMGBDCCAGGG-UHFFFAOYSA-N -1 1 368.349 2.856 20 5 FFBDMM O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071811 1019475190 /nfs/dbraw/zinc/47/51/90/1019475190.db2.gz LMUBXCAOHFKOMT-MRXNPFEDSA-N -1 1 374.324 2.792 20 5 FFBDMM Cc1sc2nc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000780071913 1019502621 /nfs/dbraw/zinc/50/26/21/1019502621.db2.gz MFCZNEQKPQEUKT-UHFFFAOYSA-N -1 1 374.378 2.861 20 5 FFBDMM O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc(Br)cc2F)no1 ZINC001212892963 1027194209 /nfs/dbraw/zinc/19/42/09/1027194209.db2.gz GCKHBGYWJQHZNK-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Br)cc2F)no1 ZINC001212892963 1027194216 /nfs/dbraw/zinc/19/42/16/1027194216.db2.gz GCKHBGYWJQHZNK-UHFFFAOYSA-N -1 1 354.095 2.937 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001157157600 1029484902 /nfs/dbraw/zinc/48/49/02/1029484902.db2.gz WBHXLAYOHYZIGP-UHFFFAOYSA-N -1 1 363.310 2.691 20 5 FFBDMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001149650225 1031561119 /nfs/dbraw/zinc/56/11/19/1031561119.db2.gz BUOHTRGXNJWSTH-UHFFFAOYSA-N -1 1 354.322 2.504 20 5 FFBDMM C[C@H]1C[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660784 1034355337 /nfs/dbraw/zinc/35/53/37/1034355337.db2.gz GKTIPJQSRYNKBC-WDEREUQCSA-N -1 1 353.375 2.862 20 5 FFBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C(C)=O)c1ccccc1 ZINC001226310677 1034625088 /nfs/dbraw/zinc/62/50/88/1034625088.db2.gz PYFHUKDWUXVETL-CQSZACIVSA-N -1 1 360.322 2.581 20 5 FFBDMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001227715112 1035692867 /nfs/dbraw/zinc/69/28/67/1035692867.db2.gz YZLDRDNPEZWSBD-HTQZYQBOSA-N -1 1 361.310 2.550 20 5 FFBDMM CSc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC001228093760 1035926984 /nfs/dbraw/zinc/92/69/84/1035926984.db2.gz DFHSDVUUOMVBQF-UHFFFAOYSA-N -1 1 362.411 2.860 20 5 FFBDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142854 1035958727 /nfs/dbraw/zinc/95/87/27/1035958727.db2.gz HTQXMDZBAITLHT-MROQNXINSA-N -1 1 367.402 2.862 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395983 1036649361 /nfs/dbraw/zinc/64/93/61/1036649361.db2.gz OKTLAWDKFAWTHT-ZDUSSCGKSA-N -1 1 368.386 2.705 20 5 FFBDMM Cc1cc([O-])c(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001229753397 1036873723 /nfs/dbraw/zinc/87/37/23/1036873723.db2.gz IKFXAXKVAJHVFR-INIZCTEOSA-N -1 1 362.294 2.734 20 5 FFBDMM CCCOC(=O)[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124371 1036928158 /nfs/dbraw/zinc/92/81/58/1036928158.db2.gz HYWIYWSISBZFED-SECBINFHSA-N -1 1 374.345 2.784 20 5 FFBDMM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H](C[N+](=O)[O-])C3CC3)c12 ZINC001234747243 1037163966 /nfs/dbraw/zinc/16/39/66/1037163966.db2.gz JIYHJBFFELZRNV-MRXNPFEDSA-N -1 1 357.318 2.792 20 5 FFBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2CN(c3cccc(F)c3)C(=O)O2)n1 ZINC001231259277 1037513569 /nfs/dbraw/zinc/51/35/69/1037513569.db2.gz IPNRECXFGKGHLR-GFCCVEGCSA-N -1 1 363.301 2.547 20 5 FFBDMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001256227934 1038440429 /nfs/dbraw/zinc/44/04/29/1038440429.db2.gz ZBSSAPYIIKIRRK-UHFFFAOYSA-N -1 1 358.745 2.535 20 5 FFBDMM O=[N+]([O-])c1cc(Nc2cn3cc(Br)ncc3n2)ccc1[O-] ZINC001210395685 1039519410 /nfs/dbraw/zinc/51/94/10/1039519410.db2.gz AZMDJASKLOBKHZ-UHFFFAOYSA-N -1 1 350.132 2.849 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2)cs1 ZINC001213233608 1040360762 /nfs/dbraw/zinc/36/07/62/1040360762.db2.gz IAOPCJXHWHBHLX-UHFFFAOYSA-N -1 1 366.342 2.866 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)c1 ZINC001321035315 1045518045 /nfs/dbraw/zinc/51/80/45/1045518045.db2.gz SKDCHAZQVIGHLS-HSZRJFAPSA-N -1 1 368.436 2.750 20 5 FFBDMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001293659887 1049599842 /nfs/dbraw/zinc/59/98/42/1049599842.db2.gz JUPXCLDXMAMWRF-QGZVFWFLSA-N -1 1 372.406 2.856 20 5 FFBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Br)c([O-])c1 ZINC001343525754 1052283308 /nfs/dbraw/zinc/28/33/08/1052283308.db2.gz JGRAENDGMYWOKD-UHFFFAOYSA-N -1 1 369.175 2.597 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]Cc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])s1 ZINC001309251818 1052583906 /nfs/dbraw/zinc/58/39/06/1052583906.db2.gz CDZLFVWPUFDELD-UHFFFAOYSA-N -1 1 366.424 2.628 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)cc1F ZINC001309350828 1052604146 /nfs/dbraw/zinc/60/41/46/1052604146.db2.gz CGXSHUZYCIPRCB-CYBMUJFWSA-N -1 1 360.407 2.667 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2coc(-c3cccnc3)n2)cc([N+](=O)[O-])c1 ZINC001360572691 1061989073 /nfs/dbraw/zinc/98/90/73/1061989073.db2.gz SBEVMOVNXGQLDF-UHFFFAOYSA-N -1 1 368.305 2.684 20 5 FFBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC001464061468 1062407583 /nfs/dbraw/zinc/40/75/83/1062407583.db2.gz JEERXKDKVQMXPT-SECBINFHSA-N -1 1 373.793 2.864 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)CC2CCCCC2)cc1F ZINC001464368416 1062575354 /nfs/dbraw/zinc/57/53/54/1062575354.db2.gz NHKQGUMMRPQEFN-UHFFFAOYSA-N -1 1 372.418 2.860 20 5 FFBDMM COC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CCCCC1 ZINC001579433930 1078628895 /nfs/dbraw/zinc/62/88/95/1078628895.db2.gz RQDDGQUYYRZWQQ-CYBMUJFWSA-N -1 1 374.401 2.556 20 5 FFBDMM COC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC001579433930 1078628898 /nfs/dbraw/zinc/62/88/98/1078628898.db2.gz RQDDGQUYYRZWQQ-CYBMUJFWSA-N -1 1 374.401 2.556 20 5 FFBDMM O=[N+]([O-])c1c(NCc2ccc(-c3nn[n-]n3)s2)ccc2cnccc21 ZINC001582802430 1079108699 /nfs/dbraw/zinc/10/86/99/1079108699.db2.gz UDHUOLOMFNTCAJ-UHFFFAOYSA-N -1 1 353.367 2.997 20 5 FFBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCS1 ZINC001561986458 1076460584 /nfs/dbraw/zinc/46/05/84/1076460584.db2.gz XZNJLSVOIWZRAO-HTQZYQBOSA-N -1 1 368.839 2.950 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C(C)(C)OC)ns1 ZINC001587831576 1079873661 /nfs/dbraw/zinc/87/36/61/1079873661.db2.gz DZIHQUZESYISNN-UHFFFAOYSA-N -1 1 352.372 2.589 20 5 FFBDMM CC(=O)c1c(C)cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC001588889209 1080237740 /nfs/dbraw/zinc/23/77/40/1080237740.db2.gz LZRAKQLJXDMQFK-UHFFFAOYSA-N -1 1 354.326 2.782 20 5 FFBDMM CC(=O)c1c(C)cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC001588889209 1080237750 /nfs/dbraw/zinc/23/77/50/1080237750.db2.gz LZRAKQLJXDMQFK-UHFFFAOYSA-N -1 1 354.326 2.782 20 5 FFBDMM CC(=O)Nc1cccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001589210487 1080420505 /nfs/dbraw/zinc/42/05/05/1080420505.db2.gz PMRVOAKZBLTIFW-SFHVURJKSA-N -1 1 357.366 2.643 20 5 FFBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC001589980501 1080918940 /nfs/dbraw/zinc/91/89/40/1080918940.db2.gz BPIKLVQINFNWRP-HZMBPMFUSA-N -1 1 352.354 2.752 20 5 FFBDMM CC1(C)CC[C@@H](CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])OC1 ZINC001590090023 1081002147 /nfs/dbraw/zinc/00/21/47/1081002147.db2.gz XKQWFGCLMPXLBY-VIFPVBQESA-N -1 1 352.420 2.844 20 5 FFBDMM CC1(C)CC[C@@H](CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])OC1 ZINC001590090023 1081002155 /nfs/dbraw/zinc/00/21/55/1081002155.db2.gz XKQWFGCLMPXLBY-VIFPVBQESA-N -1 1 352.420 2.844 20 5 FFBDMM CC1(C)CCc2onc(CNc3cccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2C1 ZINC001590101205 1081012812 /nfs/dbraw/zinc/01/28/12/1081012812.db2.gz XIDIWQIBYFSLCT-UHFFFAOYSA-N -1 1 369.385 2.890 20 5 FFBDMM CC1(C)CCc2onc(CNc3cccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2C1 ZINC001590101205 1081012818 /nfs/dbraw/zinc/01/28/18/1081012818.db2.gz XIDIWQIBYFSLCT-UHFFFAOYSA-N -1 1 369.385 2.890 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000273481949 252314784 /nfs/dbraw/zinc/31/47/84/252314784.db2.gz SSKYQMWGRWRJTQ-UHFFFAOYSA-N -1 1 364.305 2.812 20 5 FFBDMM COc1cc(C)c([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000277701743 256228933 /nfs/dbraw/zinc/22/89/33/256228933.db2.gz HTTKVLWPXRBHRM-SNVBAGLBSA-N -1 1 361.354 2.512 20 5 FFBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000290815609 257359207 /nfs/dbraw/zinc/35/92/07/257359207.db2.gz SNXWRRTYJAPBNO-YUMQZZPRSA-N -1 1 369.226 2.747 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCOC1 ZINC000301762140 258066675 /nfs/dbraw/zinc/06/66/75/258066675.db2.gz DJNZOBKFHYBMOP-CYBMUJFWSA-N -1 1 363.395 2.596 20 5 FFBDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000065834199 506375478 /nfs/dbraw/zinc/37/54/78/506375478.db2.gz UOQBUSOIKKFAPO-UHFFFAOYSA-N -1 1 363.395 2.917 20 5 FFBDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000410338894 512241273 /nfs/dbraw/zinc/24/12/73/512241273.db2.gz HWUWSRSRQNQDEC-UHFFFAOYSA-N -1 1 352.368 2.803 20 5 FFBDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000011443519 506776678 /nfs/dbraw/zinc/77/66/78/506776678.db2.gz KLLBOAHGKDLPNF-JTQLQIEISA-N -1 1 362.411 2.750 20 5 FFBDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000057497940 507279830 /nfs/dbraw/zinc/27/98/30/507279830.db2.gz RQDRNNZRFHEUOF-UHFFFAOYSA-N -1 1 363.395 2.971 20 5 FFBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1OC ZINC000026527422 507593702 /nfs/dbraw/zinc/59/37/02/507593702.db2.gz IPBJSXSRGVVPAV-UHFFFAOYSA-N -1 1 352.368 2.721 20 5 FFBDMM CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028812883 507743531 /nfs/dbraw/zinc/74/35/31/507743531.db2.gz PBBOQKLDOVXQRK-UHFFFAOYSA-N -1 1 356.165 2.862 20 5 FFBDMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000084294486 508272752 /nfs/dbraw/zinc/27/27/52/508272752.db2.gz AHZOQGVMJDUWFZ-UHFFFAOYSA-N -1 1 356.795 2.632 20 5 FFBDMM Cc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000152601988 508476825 /nfs/dbraw/zinc/47/68/25/508476825.db2.gz AAEQQDQEERBRMV-UHFFFAOYSA-N -1 1 374.378 2.595 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)s1 ZINC000157258075 508543866 /nfs/dbraw/zinc/54/38/66/508543866.db2.gz VIKKEEXVGTWJHY-NILFDRSVSA-N -1 1 350.421 2.663 20 5 FFBDMM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000124709920 508873249 /nfs/dbraw/zinc/87/32/49/508873249.db2.gz KFFUCSDVFHHWGP-LBPRGKRZSA-N -1 1 359.382 2.655 20 5 FFBDMM COCCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000124983707 508914441 /nfs/dbraw/zinc/91/44/41/508914441.db2.gz ZVTJFIVTSTYHBH-UHFFFAOYSA-N -1 1 360.407 2.609 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000180354841 509883131 /nfs/dbraw/zinc/88/31/31/509883131.db2.gz WWUVILBBOBJFHH-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000171041251 509904010 /nfs/dbraw/zinc/90/40/10/509904010.db2.gz MNORWHPOOKZOJR-IUODEOHRSA-N -1 1 368.436 2.855 20 5 FFBDMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187023998 510013115 /nfs/dbraw/zinc/01/31/15/510013115.db2.gz GKPRVSXHVDEQHK-MRXNPFEDSA-N -1 1 350.334 2.610 20 5 FFBDMM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193751366 510050222 /nfs/dbraw/zinc/05/02/22/510050222.db2.gz JYQNDCREQBZTHK-SWLSCSKDSA-N -1 1 357.366 2.593 20 5 FFBDMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187105310 510060730 /nfs/dbraw/zinc/06/07/30/510060730.db2.gz BKPQGGVNRAPLRI-CQSZACIVSA-N -1 1 374.372 2.542 20 5 FFBDMM CC(C)OCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000181843503 510623225 /nfs/dbraw/zinc/62/32/25/510623225.db2.gz DBBJAJBEMQFBHN-UHFFFAOYSA-N -1 1 350.824 2.732 20 5 FFBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(Cc3ccccc3)c2)n1 ZINC000389658472 512902543 /nfs/dbraw/zinc/90/25/43/512902543.db2.gz CNKUJCAIVFMGDR-UHFFFAOYSA-N -1 1 353.338 2.765 20 5 FFBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)CCc3ccccc3)n[nH]2)c1 ZINC000434978406 513481100 /nfs/dbraw/zinc/48/11/00/513481100.db2.gz VWLGPQFXWFCMTK-UHFFFAOYSA-N -1 1 372.406 2.969 20 5 FFBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425296386 513495173 /nfs/dbraw/zinc/49/51/73/513495173.db2.gz GTXLGTBTAKANDV-KBPBESRZSA-N -1 1 374.397 2.658 20 5 FFBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000416601598 513860400 /nfs/dbraw/zinc/86/04/00/513860400.db2.gz SQGQPPNWUGVRRM-QMMMGPOBSA-N -1 1 358.313 2.991 20 5 FFBDMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443242576 513909126 /nfs/dbraw/zinc/90/91/26/513909126.db2.gz VUGIURRNAZQJTP-AWEZNQCLSA-N -1 1 364.851 2.714 20 5 FFBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437308488 514137091 /nfs/dbraw/zinc/13/70/91/514137091.db2.gz UXYDDUFWLCQQFO-AMJWSMQMSA-N -1 1 368.436 2.888 20 5 FFBDMM Cc1cnc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c([O-])c1 ZINC000427597883 514261000 /nfs/dbraw/zinc/26/10/00/514261000.db2.gz ZKUAJFPAHJRBQM-UHFFFAOYSA-N -1 1 355.272 2.953 20 5 FFBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)[nH][n-]2)c1 ZINC000444787530 514332909 /nfs/dbraw/zinc/33/29/09/514332909.db2.gz RQKJBAUXYSBYJU-UHFFFAOYSA-N -1 1 373.319 2.828 20 5 FFBDMM Cc1ccc(F)c(-c2cc(=NC(=O)COc3ccc([N+](=O)[O-])cc3)[nH][n-]2)c1 ZINC000444814273 514342023 /nfs/dbraw/zinc/34/20/23/514342023.db2.gz SZZNRPUSEVVQGA-UHFFFAOYSA-N -1 1 370.340 2.872 20 5 FFBDMM CC(C)(C)c1cccc(OCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445006209 514387391 /nfs/dbraw/zinc/38/73/91/514387391.db2.gz NYULKAUHYZBJHW-UHFFFAOYSA-N -1 1 359.382 2.802 20 5 FFBDMM CCOc1cc(Oc2ccc([N-]S(C)(=O)=O)nc2)ccc1[N+](=O)[O-] ZINC000439127849 514497817 /nfs/dbraw/zinc/49/78/17/514497817.db2.gz LOGBWEZGCOYJRK-UHFFFAOYSA-N -1 1 353.356 2.552 20 5 FFBDMM CC[C@@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1 ZINC000445728282 514511366 /nfs/dbraw/zinc/51/13/66/514511366.db2.gz WVKVKQWDFYYPOO-GFCCVEGCSA-N -1 1 355.354 2.783 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)ccc1[N+](=O)[O-] ZINC000471130911 514765063 /nfs/dbraw/zinc/76/50/63/514765063.db2.gz ZPLMZOWYGZZNGF-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000466890844 514817444 /nfs/dbraw/zinc/81/74/44/514817444.db2.gz FNTFGEADRCMLSF-FZMZJTMJSA-N -1 1 362.835 2.730 20 5 FFBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)ccc2O1 ZINC000475831295 514826596 /nfs/dbraw/zinc/82/65/96/514826596.db2.gz IMJOYYRLHWJCLB-VIFPVBQESA-N -1 1 352.343 2.858 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)s1 ZINC000480664846 515036885 /nfs/dbraw/zinc/03/68/85/515036885.db2.gz XGALZYICZVGFHK-IUODEOHRSA-N -1 1 368.436 2.712 20 5 FFBDMM Cc1cn2cc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc2n1 ZINC000481029403 515180244 /nfs/dbraw/zinc/18/02/44/515180244.db2.gz YGKFUOOCCJSPDC-UHFFFAOYSA-N -1 1 360.395 2.969 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000477394757 515439999 /nfs/dbraw/zinc/43/99/99/515439999.db2.gz FYWMGGCWDMHXPJ-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM O=C(Nc1ccc(NC(=O)c2ccccc2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000477889524 515628793 /nfs/dbraw/zinc/62/87/93/515628793.db2.gz IUVRWGANSINNOH-UHFFFAOYSA-N -1 1 351.322 2.823 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000488233941 516168442 /nfs/dbraw/zinc/16/84/42/516168442.db2.gz MKTBPZGRHAUBQH-UHFFFAOYSA-N -1 1 370.358 2.860 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000470439226 516246947 /nfs/dbraw/zinc/24/69/47/516246947.db2.gz UTDIMECSYGSWGV-UHFFFAOYSA-N -1 1 370.358 2.753 20 5 FFBDMM Cc1ccc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000535598228 516417060 /nfs/dbraw/zinc/41/70/60/516417060.db2.gz LJQQQWJOAHCSLN-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000561562413 516655205 /nfs/dbraw/zinc/65/52/05/516655205.db2.gz SDBKZIKHEAXZLB-PSLIRLAXSA-N -1 1 352.343 2.534 20 5 FFBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000551622076 516790644 /nfs/dbraw/zinc/79/06/44/516790644.db2.gz HKNHSASVZLESBL-UHFFFAOYSA-N -1 1 352.368 2.803 20 5 FFBDMM CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)on1 ZINC000558559823 516808463 /nfs/dbraw/zinc/80/84/63/516808463.db2.gz NOKXWYNJUYIGCR-UHFFFAOYSA-N -1 1 359.791 2.586 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000544639550 516849351 /nfs/dbraw/zinc/84/93/51/516849351.db2.gz MZTSNMICLDZHEH-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000541072403 516857270 /nfs/dbraw/zinc/85/72/70/516857270.db2.gz SYWPVVCUGKBBEN-UHFFFAOYSA-N -1 1 364.379 2.729 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000562274638 517001357 /nfs/dbraw/zinc/00/13/57/517001357.db2.gz JFEONDSFWNJEHQ-UHFFFAOYSA-N -1 1 353.787 2.611 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000541799184 517221265 /nfs/dbraw/zinc/22/12/65/517221265.db2.gz PUUFMYPAYDXHRE-UHFFFAOYSA-N -1 1 361.379 2.507 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)s1 ZINC000562843925 517451684 /nfs/dbraw/zinc/45/16/84/517451684.db2.gz XEFQXTTXIANBHY-UHFFFAOYSA-N -1 1 370.437 2.586 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000542728616 517705544 /nfs/dbraw/zinc/70/55/44/517705544.db2.gz JXCQRDTUBZAZMK-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584722720 518447868 /nfs/dbraw/zinc/44/78/68/518447868.db2.gz OUVJJCQQMJUUJJ-STQMWFEESA-N -1 1 351.403 2.513 20 5 FFBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000579616609 518768860 /nfs/dbraw/zinc/76/88/60/518768860.db2.gz FIBSOXOIWXRJNW-UHFFFAOYSA-N -1 1 350.747 2.742 20 5 FFBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000590398313 519215560 /nfs/dbraw/zinc/21/55/60/519215560.db2.gz LZHGVTFWCRIGJA-UHFFFAOYSA-N -1 1 360.248 2.525 20 5 FFBDMM CC(C)OC(=O)C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000609547461 520352893 /nfs/dbraw/zinc/35/28/93/520352893.db2.gz OAIOOPOVZBRQFE-OAHLLOKOSA-N -1 1 373.365 2.508 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)s1 ZINC000609708284 520410795 /nfs/dbraw/zinc/41/07/95/520410795.db2.gz BEQIVXCHRNZHTL-UHFFFAOYSA-N -1 1 359.454 2.861 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)s1 ZINC000610591631 520756906 /nfs/dbraw/zinc/75/69/06/520756906.db2.gz ADLJFLUXIDPPMD-UHFFFAOYSA-N -1 1 370.305 2.691 20 5 FFBDMM Cc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243923 521105984 /nfs/dbraw/zinc/10/59/84/521105984.db2.gz FGVSNUJVXJLHJI-CQSZACIVSA-N -1 1 366.443 2.702 20 5 FFBDMM O=C([O-])[C@H]1CC12CCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000593747353 521189329 /nfs/dbraw/zinc/18/93/29/521189329.db2.gz XBRGEDBONZREHA-OAHLLOKOSA-N -1 1 357.366 2.937 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000593748797 521190729 /nfs/dbraw/zinc/19/07/29/521190729.db2.gz UWLGPOWCQKCVIM-TZMCWYRMSA-N -1 1 359.386 2.591 20 5 FFBDMM O=C(N=c1nc(-c2cccc([N+](=O)[O-])c2)[nH][n-]1)c1nc2cccnc2s1 ZINC000496029649 561491758 /nfs/dbraw/zinc/49/17/58/561491758.db2.gz AKAILWIAHZOQQU-UHFFFAOYSA-N -1 1 367.350 2.637 20 5 FFBDMM Cn1ccnc1[C@H](NC1CCC(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000821305070 597664747 /nfs/dbraw/zinc/66/47/47/597664747.db2.gz PGJINVIDFLVWOP-LDZOIKDWSA-N -1 1 358.398 2.651 20 5 FFBDMM CC(C)(C)Oc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819949963 606702920 /nfs/dbraw/zinc/70/29/20/606702920.db2.gz DQPIVUNWPNADHA-UHFFFAOYSA-N -1 1 369.385 2.959 20 5 FFBDMM CC(C)(C)Oc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819949963 606702922 /nfs/dbraw/zinc/70/29/22/606702922.db2.gz DQPIVUNWPNADHA-UHFFFAOYSA-N -1 1 369.385 2.959 20 5 FFBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000819983975 606710373 /nfs/dbraw/zinc/71/03/73/606710373.db2.gz LDZFENDECMYGLN-UHFFFAOYSA-N -1 1 353.386 2.851 20 5 FFBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000819983975 606710374 /nfs/dbraw/zinc/71/03/74/606710374.db2.gz LDZFENDECMYGLN-UHFFFAOYSA-N -1 1 353.386 2.851 20 5 FFBDMM Cc1ccccc1[C@H]1C[C@H](C)N(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822351223 606712562 /nfs/dbraw/zinc/71/25/62/606712562.db2.gz LYVYQNCOTBQGLX-STQMWFEESA-N -1 1 365.397 2.861 20 5 FFBDMM Cc1ccccc1[C@H]1C[C@H](C)N(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822351223 606712563 /nfs/dbraw/zinc/71/25/63/606712563.db2.gz LYVYQNCOTBQGLX-STQMWFEESA-N -1 1 365.397 2.861 20 5 FFBDMM CC(C)c1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820192543 607162090 /nfs/dbraw/zinc/16/20/90/607162090.db2.gz SQGUBHYEESCXPL-UHFFFAOYSA-N -1 1 353.386 2.930 20 5 FFBDMM CC(C)c1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820192543 607162092 /nfs/dbraw/zinc/16/20/92/607162092.db2.gz SQGUBHYEESCXPL-UHFFFAOYSA-N -1 1 353.386 2.930 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCSc1ccccc1 ZINC000823624516 607166853 /nfs/dbraw/zinc/16/68/53/607166853.db2.gz BEAVIWRKUKIRNU-UHFFFAOYSA-N -1 1 357.399 2.764 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCSc1ccccc1 ZINC000823624516 607166855 /nfs/dbraw/zinc/16/68/55/607166855.db2.gz BEAVIWRKUKIRNU-UHFFFAOYSA-N -1 1 357.399 2.764 20 5 FFBDMM O=[N+]([O-])c1cccc2c1CCN(c1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000826499996 607937713 /nfs/dbraw/zinc/93/77/13/607937713.db2.gz HMMODGWYMFQMHJ-UHFFFAOYSA-N -1 1 373.376 2.886 20 5 FFBDMM O=[N+]([O-])c1cccc2c1CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000826499996 607937714 /nfs/dbraw/zinc/93/77/14/607937714.db2.gz HMMODGWYMFQMHJ-UHFFFAOYSA-N -1 1 373.376 2.886 20 5 FFBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000126782095 728704655 /nfs/dbraw/zinc/70/46/55/728704655.db2.gz HTXWDUQVPPTNMZ-UHFFFAOYSA-N -1 1 356.379 2.846 20 5 FFBDMM Nc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000184709849 729331580 /nfs/dbraw/zinc/33/15/80/729331580.db2.gz MOWISBRZQNRWDT-CQSZACIVSA-N -1 1 365.386 2.672 20 5 FFBDMM CN(CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194334558 729507474 /nfs/dbraw/zinc/50/74/74/729507474.db2.gz MSNYFEOCMGZXFR-UHFFFAOYSA-N -1 1 367.402 2.539 20 5 FFBDMM O=C([N-]CCCSCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000863353384 730771645 /nfs/dbraw/zinc/77/16/45/730771645.db2.gz ZQWGOVMNQJCZSW-UHFFFAOYSA-N -1 1 352.334 2.775 20 5 FFBDMM CCC(C)(C)NC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000780072034 738514120 /nfs/dbraw/zinc/51/41/20/738514120.db2.gz NORASLSEQKYNIK-CQSZACIVSA-N -1 1 352.387 2.787 20 5 FFBDMM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000882701757 733274302 /nfs/dbraw/zinc/27/43/02/733274302.db2.gz CQTPQYKWEJBBOE-OCAPTIKFSA-N -1 1 369.226 2.605 20 5 FFBDMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000882761736 733289292 /nfs/dbraw/zinc/28/92/92/733289292.db2.gz JXBCXNGRMPKFLU-AAEUAGOBSA-N -1 1 360.407 2.526 20 5 FFBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000717369150 734374997 /nfs/dbraw/zinc/37/49/97/734374997.db2.gz KNNGXWZGXBFNHA-UHFFFAOYSA-N -1 1 361.217 2.602 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000751305027 735862702 /nfs/dbraw/zinc/86/27/02/735862702.db2.gz ICNLLZNEZFBWBG-LBPRGKRZSA-N -1 1 368.798 2.920 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000757348336 736402126 /nfs/dbraw/zinc/40/21/26/736402126.db2.gz JVEQBEYDJFQIEN-UHFFFAOYSA-N -1 1 371.758 2.635 20 5 FFBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc2cc(Cl)ccc2[nH]1 ZINC000764221231 737003106 /nfs/dbraw/zinc/00/31/06/737003106.db2.gz MIAOQTJDSUPIJR-ZETCQYMHSA-N -1 1 361.745 2.716 20 5 FFBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000916105603 737678745 /nfs/dbraw/zinc/67/87/45/737678745.db2.gz DXCLKUKEBJDLNX-UHFFFAOYSA-N -1 1 367.339 2.621 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCOC1 ZINC000921852620 738056061 /nfs/dbraw/zinc/05/60/61/738056061.db2.gz DGSGXDFPANBCNB-XHDPSFHLSA-N -1 1 374.846 2.732 20 5 FFBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000778049414 738348406 /nfs/dbraw/zinc/34/84/06/738348406.db2.gz GTRPJSBEDBKRJF-LBPRGKRZSA-N -1 1 362.835 2.873 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1noc2ccccc21 ZINC000791412138 739560725 /nfs/dbraw/zinc/56/07/25/739560725.db2.gz VNAMRUNSOWQDSQ-UHFFFAOYSA-N -1 1 367.770 2.868 20 5 FFBDMM COc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000798224269 740313802 /nfs/dbraw/zinc/31/38/02/740313802.db2.gz JDYOCRXSKPQCRK-UHFFFAOYSA-N -1 1 374.777 2.874 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccnc1 ZINC000798225267 740314092 /nfs/dbraw/zinc/31/40/92/740314092.db2.gz UZIYYMGKBLVWPW-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cscn2)c(Cl)cc1Cl ZINC000798226511 740314511 /nfs/dbraw/zinc/31/45/11/740314511.db2.gz PCWYRGLRJFKMRU-UHFFFAOYSA-N -1 1 368.223 2.837 20 5 FFBDMM CC(C)OCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809805341 741345032 /nfs/dbraw/zinc/34/50/32/741345032.db2.gz WBDDVQYWKSPDMJ-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCSC2)cc1Cl ZINC000809824079 741349162 /nfs/dbraw/zinc/34/91/62/741349162.db2.gz YKJHGKZXKHXBEG-ZETCQYMHSA-N -1 1 354.812 2.561 20 5 FFBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1Cl ZINC000811832062 741564817 /nfs/dbraw/zinc/56/48/17/741564817.db2.gz KPUVTQZHEALHGE-UHFFFAOYSA-N -1 1 370.696 2.791 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000814988594 741879624 /nfs/dbraw/zinc/87/96/24/741879624.db2.gz NKZUIAIDEOTRLJ-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM CCC[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815045299 741890072 /nfs/dbraw/zinc/89/00/72/741890072.db2.gz PVOSXHAJVFSHFI-ZDUSSCGKSA-N -1 1 366.798 2.625 20 5 FFBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCN2C ZINC000818284643 742258163 /nfs/dbraw/zinc/25/81/63/742258163.db2.gz LGBNAMQISHUJQO-UHFFFAOYSA-N -1 1 363.395 2.533 20 5 FFBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)c(Cl)c1 ZINC000820743513 742543455 /nfs/dbraw/zinc/54/34/55/742543455.db2.gz IOZXZNDOVBNQRQ-UHFFFAOYSA-N -1 1 371.680 2.758 20 5 FFBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCCCF)ccc1Br ZINC000829893841 745275886 /nfs/dbraw/zinc/27/58/86/745275886.db2.gz ZQSSCDWNYBBMKZ-UHFFFAOYSA-N -1 1 355.185 2.849 20 5 FFBDMM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832414068 745694229 /nfs/dbraw/zinc/69/42/29/745694229.db2.gz DQNZXDKTRZRHNQ-VIFPVBQESA-N -1 1 358.807 2.504 20 5 FFBDMM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841538796 747389795 /nfs/dbraw/zinc/38/97/95/747389795.db2.gz GUVIEXDSVLDYBZ-LBPRGKRZSA-N -1 1 367.402 2.819 20 5 FFBDMM CSc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000057022338 845362413 /nfs/dbraw/zinc/36/24/13/845362413.db2.gz HGUHDUPZJUVENE-UHFFFAOYSA-N -1 1 356.400 2.934 20 5 FFBDMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188011440 968476100 /nfs/dbraw/zinc/47/61/00/968476100.db2.gz WTCVFMOTWWGKID-AWEZNQCLSA-N -1 1 356.382 2.566 20 5 FFBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001603610508 973885396 /nfs/dbraw/zinc/88/53/96/973885396.db2.gz ZDSITGSSGSHGGZ-KRWDZBQOSA-N -1 1 360.370 2.722 20 5 FFBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001116725436 986948704 /nfs/dbraw/zinc/94/87/04/986948704.db2.gz CNGQDJQKDAMTAD-UHFFFAOYSA-N -1 1 367.159 2.752 20 5 FFBDMM COC(=O)[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC001234878890 987980427 /nfs/dbraw/zinc/98/04/27/987980427.db2.gz ZPURPHFQDINHHI-MRVPVSSYSA-N -1 1 374.065 2.546 20 5 FFBDMM COc1cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c([N+](=O)[O-])cc1F ZINC001127355024 988405667 /nfs/dbraw/zinc/40/56/67/988405667.db2.gz UGYRUYBFSQZZBK-UHFFFAOYSA-N -1 1 365.708 2.691 20 5 FFBDMM C[C@](NC(=O)c1ccc(O)c(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593173582 994040701 /nfs/dbraw/zinc/04/07/01/994040701.db2.gz VVZSHWFYKMVGFX-MRXNPFEDSA-N -1 1 364.741 2.684 20 5 FFBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001593289760 994666138 /nfs/dbraw/zinc/66/61/38/994666138.db2.gz XBNZJGJHMBOGPR-SECBINFHSA-N -1 1 357.322 2.991 20 5 FFBDMM COc1ccc(CN2CC[C@H]2CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599561884 998212604 /nfs/dbraw/zinc/21/26/04/998212604.db2.gz RMYVPRSYKUCKKW-HNNXBMFYSA-N -1 1 371.393 2.988 20 5 FFBDMM COc1ccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])cc1[N+](=O)[O-] ZINC001599571713 998375961 /nfs/dbraw/zinc/37/59/61/998375961.db2.gz WZDLJQDQFOOEOT-GFCCVEGCSA-N -1 1 360.366 2.918 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOCC12CCCC2 ZINC001196071860 1003661314 /nfs/dbraw/zinc/66/13/14/1003661314.db2.gz VWDTXXNJNYUWIH-AWEZNQCLSA-N -1 1 374.846 2.876 20 5 FFBDMM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001189604832 1007160708 /nfs/dbraw/zinc/16/07/08/1007160708.db2.gz PSDAZERRVCYVMF-SNVBAGLBSA-N -1 1 353.425 2.751 20 5 FFBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000780077529 1019638117 /nfs/dbraw/zinc/63/81/17/1019638117.db2.gz ZSQXXCYIXGYXBB-MEQWQQMJSA-N -1 1 364.398 2.787 20 5 FFBDMM O=c1cccc2oc3cc([O-])c(O[C@@H]4C[NH2+]CCC[C@@H]4F)cc3c([O-])c1-2 ZINC001217978309 1032928893 /nfs/dbraw/zinc/92/88/93/1032928893.db2.gz PSLZIIVMHCXYDB-APPDUMDISA-N -1 1 359.353 2.826 20 5 FFBDMM O=c1nc2nc[nH]c2c(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC001159199661 1027307866 /nfs/dbraw/zinc/30/78/66/1027307866.db2.gz PUMOXQMODNMFGD-UHFFFAOYSA-N -1 1 357.717 2.912 20 5 FFBDMM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC001162593796 1028589971 /nfs/dbraw/zinc/58/99/71/1028589971.db2.gz IIQQLDOHGBFRFJ-UHFFFAOYSA-N -1 1 370.258 2.964 20 5 FFBDMM C[C@H]1CC[C@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665433 1034359999 /nfs/dbraw/zinc/35/99/99/1034359999.db2.gz ZFUGCLORXPJPGD-QWRGUYRKSA-N -1 1 353.375 2.862 20 5 FFBDMM O=c1cc[n-]c(OC[C@@H]2Cc3cccc(Br)c3O2)c1[N+](=O)[O-] ZINC001225667007 1034360248 /nfs/dbraw/zinc/36/02/48/1034360248.db2.gz NHOBARZQUBPMRG-VIFPVBQESA-N -1 1 367.155 2.840 20 5 FFBDMM COC(=O)[C@H]1C[C@@H](Oc2cc3c(cc2[O-])oc2cccc(O)c2c3=O)C1 ZINC001227306702 1035501334 /nfs/dbraw/zinc/50/13/34/1035501334.db2.gz MGXJXIDBXSXYNG-AOOOYVTPSA-N -1 1 356.330 2.688 20 5 FFBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@@H]3COCCO3)c([N+](=O)[O-])c2)cc1 ZINC001227700392 1035684325 /nfs/dbraw/zinc/68/43/25/1035684325.db2.gz RXUYMYAOPOZUPR-HNNXBMFYSA-N -1 1 373.361 2.634 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])C(C)(C)C1 ZINC001228140043 1035957157 /nfs/dbraw/zinc/95/71/57/1035957157.db2.gz FGPNYKAPTMCSOY-JTQLQIEISA-N -1 1 368.390 2.505 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@H]2C1 ZINC001229395047 1036649214 /nfs/dbraw/zinc/64/92/14/1036649214.db2.gz DUTBCILXNKINAA-VHRBIJSZSA-N -1 1 350.371 2.935 20 5 FFBDMM Cc1cc(N2CC[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])C2)nc(Cl)n1 ZINC001229394721 1036649765 /nfs/dbraw/zinc/64/97/65/1036649765.db2.gz BNJNKCSWZMXIKK-LLVKDONJSA-N -1 1 350.762 2.710 20 5 FFBDMM C=CC(=O)OC[C@H](C)Oc1cc([O-])cc2oc3ccc(O)cc3c(=O)c12 ZINC001234744382 1037161323 /nfs/dbraw/zinc/16/13/23/1037161323.db2.gz LPDMIZYOCQAHIZ-JTQLQIEISA-N -1 1 356.330 2.854 20 5 FFBDMM CCOC(=O)[C@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234749325 1037166950 /nfs/dbraw/zinc/16/69/50/1037166950.db2.gz OMCPRNQUCOWIJI-VIFPVBQESA-N -1 1 374.345 2.696 20 5 FFBDMM CC(C)N1CC(Oc2c(O)ccc3c(=O)c4c(O)cc([O-])cc4oc32)C1 ZINC001234751654 1037170130 /nfs/dbraw/zinc/17/01/30/1037170130.db2.gz BVKCNMMJRFCKTE-UHFFFAOYSA-N -1 1 357.362 2.534 20 5 FFBDMM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1COc2cnccc21 ZINC001234876441 1037218066 /nfs/dbraw/zinc/21/80/66/1037218066.db2.gz YQVYOUCCYPADNF-GFCCVEGCSA-N -1 1 353.128 2.970 20 5 FFBDMM COc1ccc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)cc1[N+](=O)[O-] ZINC001255612430 1038064491 /nfs/dbraw/zinc/06/44/91/1038064491.db2.gz XVDRSNNQRHZKPK-UHFFFAOYSA-N -1 1 363.351 2.854 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)cc1F ZINC001213450761 1040564955 /nfs/dbraw/zinc/56/49/55/1040564955.db2.gz JKGHIULQUJLPCF-BLLLJJGKSA-N -1 1 372.418 2.526 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001309490831 1043408753 /nfs/dbraw/zinc/40/87/53/1043408753.db2.gz QHZQGBWHZRXHCN-UHFFFAOYSA-N -1 1 355.803 2.857 20 5 FFBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1cccc(F)c1 ZINC001309850303 1043555968 /nfs/dbraw/zinc/55/59/68/1043555968.db2.gz LSORKHDFXSSUNJ-UHFFFAOYSA-N -1 1 374.777 2.745 20 5 FFBDMM COc1cccc2cc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)oc21 ZINC001320582159 1045432284 /nfs/dbraw/zinc/43/22/84/1045432284.db2.gz VLOXGTXJYCDYGJ-UHFFFAOYSA-N -1 1 368.392 2.890 20 5 FFBDMM COC(=O)c1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc([N+](=O)[O-])c1 ZINC001293927757 1049654843 /nfs/dbraw/zinc/65/48/43/1049654843.db2.gz GXNRHJSAMFQACQ-UHFFFAOYSA-N -1 1 358.306 2.542 20 5 FFBDMM COc1ccc2nc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC001296767463 1050091587 /nfs/dbraw/zinc/09/15/87/1050091587.db2.gz JHHCRAHHLKLKSF-SECBINFHSA-N -1 1 356.338 2.676 20 5 FFBDMM O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)c([O-])c1 ZINC001303528939 1051376800 /nfs/dbraw/zinc/37/68/00/1051376800.db2.gz ILKXRUKNCWCDMZ-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C/C=C\c1cccnc1 ZINC001475478167 1061107448 /nfs/dbraw/zinc/10/74/48/1061107448.db2.gz XRDQLLZAJKHYRH-HYXAFXHYSA-N -1 1 353.787 2.635 20 5 FFBDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001464527394 1062664146 /nfs/dbraw/zinc/66/41/46/1062664146.db2.gz DEDJVICAUOPCBI-XFWSIPNHSA-N -1 1 362.810 2.958 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ncc(Br)cn1 ZINC001524347741 1062809501 /nfs/dbraw/zinc/80/95/01/1062809501.db2.gz LANBLXLMHWZKHD-UHFFFAOYSA-N -1 1 355.123 2.847 20 5 FFBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)c1F ZINC001525176954 1063186196 /nfs/dbraw/zinc/18/61/96/1063186196.db2.gz PODCAYXHGGZVFI-UHFFFAOYSA-N -1 1 351.265 2.615 20 5 FFBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c([O-])c(OC)c1 ZINC001472228278 1064978479 /nfs/dbraw/zinc/97/84/79/1064978479.db2.gz LVCSLMLIVUBCFV-UHFFFAOYSA-N -1 1 360.322 2.656 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001582804002 1079110269 /nfs/dbraw/zinc/11/02/69/1079110269.db2.gz ZRCGVIMZSRKNGK-UHFFFAOYSA-N -1 1 366.131 2.709 20 5 FFBDMM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001582804002 1079110273 /nfs/dbraw/zinc/11/02/73/1079110273.db2.gz ZRCGVIMZSRKNGK-UHFFFAOYSA-N -1 1 366.131 2.709 20 5 FFBDMM COC(C)(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001561850747 1076433627 /nfs/dbraw/zinc/43/36/27/1076433627.db2.gz GDLXFRFPOCLRAU-UHFFFAOYSA-N -1 1 371.242 2.995 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(C(F)F)on1 ZINC001561931851 1076448673 /nfs/dbraw/zinc/44/86/73/1076448673.db2.gz WTLFIPVOBJJEMQ-UHFFFAOYSA-N -1 1 367.717 2.652 20 5 FFBDMM CCC[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001561981164 1076459352 /nfs/dbraw/zinc/45/93/52/1076459352.db2.gz PFJDTCUGGILKRY-QMMMGPOBSA-N -1 1 371.242 2.731 20 5 FFBDMM C[C@@H](CCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589836603 1080787929 /nfs/dbraw/zinc/78/79/29/1080787929.db2.gz MHTDBERDNVYAQL-NSHDSACASA-N -1 1 353.386 2.790 20 5 FFBDMM C[C@@H](CCc1ccccc1)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589836603 1080787934 /nfs/dbraw/zinc/78/79/34/1080787934.db2.gz MHTDBERDNVYAQL-NSHDSACASA-N -1 1 353.386 2.790 20 5 FFBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001589980563 1080918883 /nfs/dbraw/zinc/91/88/83/1080918883.db2.gz CSAZSILSUXWQMX-SECBINFHSA-N -1 1 350.342 2.824 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001590241972 1081116879 /nfs/dbraw/zinc/11/68/79/1081116879.db2.gz YUCMPDQVDZIEFV-ZAUVIXRXSA-N -1 1 372.429 2.541 20 5 FFBDMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001590241972 1081116882 /nfs/dbraw/zinc/11/68/82/1081116882.db2.gz YUCMPDQVDZIEFV-ZAUVIXRXSA-N -1 1 372.429 2.541 20 5 FFBDMM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C1)CCCC2 ZINC000275437087 256006226 /nfs/dbraw/zinc/00/62/26/256006226.db2.gz DEPVPKYYKIDMFH-CQSZACIVSA-N -1 1 370.409 2.771 20 5 FFBDMM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290714350 257354105 /nfs/dbraw/zinc/35/41/05/257354105.db2.gz OQNRSIXLVZKTTE-NSHDSACASA-N -1 1 373.331 2.692 20 5 FFBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCO1 ZINC000290815607 257359214 /nfs/dbraw/zinc/35/92/14/257359214.db2.gz SNXWRRTYJAPBNO-JGVFFNPUSA-N -1 1 369.226 2.747 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c(F)c1 ZINC000410175557 512218837 /nfs/dbraw/zinc/21/88/37/512218837.db2.gz CMJRDURKLLMMPA-GHMZBOCLSA-N -1 1 368.333 2.563 20 5 FFBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000042005176 506581467 /nfs/dbraw/zinc/58/14/67/506581467.db2.gz FTMZFEDGAYVCEZ-UHFFFAOYSA-N -1 1 367.358 2.802 20 5 FFBDMM O=C(c1ccc(Cl)cc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000072513460 507801026 /nfs/dbraw/zinc/80/10/26/507801026.db2.gz ZKZDCWFWJGWEOS-UHFFFAOYSA-N -1 1 361.785 2.916 20 5 FFBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)n[nH]1 ZINC000108074625 507877176 /nfs/dbraw/zinc/87/71/76/507877176.db2.gz IDLGRNRSDJUVLY-UHFFFAOYSA-N -1 1 373.394 2.798 20 5 FFBDMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000116377356 508504897 /nfs/dbraw/zinc/50/48/97/508504897.db2.gz LJQSDNJPGAHYID-UHFFFAOYSA-N -1 1 361.832 2.918 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)s1 ZINC000134661097 508556615 /nfs/dbraw/zinc/55/66/15/508556615.db2.gz NAOWAPDJEZIAER-LLVKDONJSA-N -1 1 360.457 2.817 20 5 FFBDMM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000135674015 508639708 /nfs/dbraw/zinc/63/97/08/508639708.db2.gz HYHPMISQJPQCLY-UHFFFAOYSA-N -1 1 356.425 2.576 20 5 FFBDMM CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000129032711 508673968 /nfs/dbraw/zinc/67/39/68/508673968.db2.gz DITZIGPQALIEQT-JTQLQIEISA-N -1 1 350.824 2.732 20 5 FFBDMM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000123509741 508697588 /nfs/dbraw/zinc/69/75/88/508697588.db2.gz VQOCQIKIRNYMRH-UHFFFAOYSA-N -1 1 355.272 2.986 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC000124366221 508821287 /nfs/dbraw/zinc/82/12/87/508821287.db2.gz UVVRQWHNLKITSN-UHFFFAOYSA-N -1 1 362.285 2.822 20 5 FFBDMM Cc1cccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000146536492 508852256 /nfs/dbraw/zinc/85/22/56/508852256.db2.gz PJJDFIMUEGGASC-UHFFFAOYSA-N -1 1 370.814 2.914 20 5 FFBDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000173353644 509549215 /nfs/dbraw/zinc/54/92/15/509549215.db2.gz YCPYZPAIKTZFRY-AWEZNQCLSA-N -1 1 368.411 2.725 20 5 FFBDMM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000171087130 509932799 /nfs/dbraw/zinc/93/27/99/509932799.db2.gz YXJOHXPQIVMGIC-UHFFFAOYSA-N -1 1 365.436 2.967 20 5 FFBDMM CN(CCCOc1cccc(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186989345 509991334 /nfs/dbraw/zinc/99/13/34/509991334.db2.gz NLHXMTCUWISQQQ-UHFFFAOYSA-N -1 1 365.773 2.890 20 5 FFBDMM Cc1ccc(C)c(OC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000187012048 510004061 /nfs/dbraw/zinc/00/40/61/510004061.db2.gz XOHYPLPXEIWMLT-UHFFFAOYSA-N -1 1 371.393 2.996 20 5 FFBDMM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193679384 510017553 /nfs/dbraw/zinc/01/75/53/510017553.db2.gz NRGGQVAEFJMWPI-NSHDSACASA-N -1 1 367.365 2.681 20 5 FFBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)COCc1ccccc1 ZINC000194407932 510348645 /nfs/dbraw/zinc/34/86/45/510348645.db2.gz QTYGXFIWWQMYAZ-LBPRGKRZSA-N -1 1 370.452 2.788 20 5 FFBDMM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365663798 511589614 /nfs/dbraw/zinc/58/96/14/511589614.db2.gz NKJWJXIRVOCNQN-INIZCTEOSA-N -1 1 357.366 2.593 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000373879415 512551265 /nfs/dbraw/zinc/55/12/65/512551265.db2.gz BHYCSPLOQFHOEU-SNVBAGLBSA-N -1 1 369.786 2.624 20 5 FFBDMM COc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])cc1O ZINC000417635851 513128320 /nfs/dbraw/zinc/12/83/20/513128320.db2.gz WYFIANNEHMLBKT-KGLIPLIRSA-N -1 1 358.350 2.712 20 5 FFBDMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440302793 513288867 /nfs/dbraw/zinc/28/88/67/513288867.db2.gz IQUBNDMMNBIJLM-UHFFFAOYSA-N -1 1 373.365 2.581 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425318032 513508929 /nfs/dbraw/zinc/50/89/29/513508929.db2.gz HAJLLZNMNQQVSI-CYBMUJFWSA-N -1 1 374.397 2.658 20 5 FFBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318032 513508938 /nfs/dbraw/zinc/50/89/38/513508938.db2.gz HAJLLZNMNQQVSI-CYBMUJFWSA-N -1 1 374.397 2.658 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(CO)CCCC1 ZINC000416506652 513807184 /nfs/dbraw/zinc/80/71/84/513807184.db2.gz GZFGJEWUEADASB-ZDUSSCGKSA-N -1 1 362.473 2.512 20 5 FFBDMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000436504476 513876640 /nfs/dbraw/zinc/87/66/40/513876640.db2.gz KCUKFXYPDCSIHZ-SECBINFHSA-N -1 1 362.313 2.968 20 5 FFBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c(OC)c2)[n-]c1=O ZINC000432693355 514262471 /nfs/dbraw/zinc/26/24/71/514262471.db2.gz BUSDFUOXATXPPP-YFHOEESVSA-N -1 1 359.338 2.836 20 5 FFBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC000445173742 514436463 /nfs/dbraw/zinc/43/64/63/514436463.db2.gz ACQTWUHDFTZQGN-CYBMUJFWSA-N -1 1 367.365 2.967 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000466567343 514693839 /nfs/dbraw/zinc/69/38/39/514693839.db2.gz NWVQBIWODCMHCQ-LSDHHAIUSA-N -1 1 374.846 2.732 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000497995867 514719726 /nfs/dbraw/zinc/71/97/26/514719726.db2.gz ZUGXJEIFUXMDAL-UHFFFAOYSA-N -1 1 358.464 2.696 20 5 FFBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)ccc2O1 ZINC000475831293 514827246 /nfs/dbraw/zinc/82/72/46/514827246.db2.gz IMJOYYRLHWJCLB-SECBINFHSA-N -1 1 352.343 2.858 20 5 FFBDMM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000503823256 515147000 /nfs/dbraw/zinc/14/70/00/515147000.db2.gz URUZKZFILJIQDT-LBPRGKRZSA-N -1 1 354.384 2.552 20 5 FFBDMM CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000499464791 515335990 /nfs/dbraw/zinc/33/59/90/515335990.db2.gz PPANFUZDDCLSDB-UHFFFAOYSA-N -1 1 365.411 2.889 20 5 FFBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000463428587 515491123 /nfs/dbraw/zinc/49/11/23/515491123.db2.gz FMYQRTQUMZMOOG-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(F)c1 ZINC000511397273 515891483 /nfs/dbraw/zinc/89/14/83/515891483.db2.gz JHUYUIUIYGIMGM-UHFFFAOYSA-N -1 1 356.297 2.745 20 5 FFBDMM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000483440030 516091584 /nfs/dbraw/zinc/09/15/84/516091584.db2.gz MELMPVCVHRKKDN-UHFFFAOYSA-N -1 1 368.305 2.672 20 5 FFBDMM O=C(Nc1ccncc1[O-])c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000512016822 516118013 /nfs/dbraw/zinc/11/80/13/516118013.db2.gz GAEGTHZBXFBAOX-UHFFFAOYSA-N -1 1 364.361 2.982 20 5 FFBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1[N+](=O)[O-] ZINC000488234884 516168405 /nfs/dbraw/zinc/16/84/05/516168405.db2.gz SGLYYRZVCFVDPV-UHFFFAOYSA-N -1 1 370.358 2.866 20 5 FFBDMM Cc1nc(-c2ccc(NCCc3cccc([N+](=O)[O-])c3)nc2)[n-]c(=O)c1C ZINC000536155303 516656866 /nfs/dbraw/zinc/65/68/66/516656866.db2.gz REFDMNLJXXUUJG-UHFFFAOYSA-N -1 1 365.393 2.846 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C)[nH]c2c1 ZINC000536194380 516670916 /nfs/dbraw/zinc/67/09/16/516670916.db2.gz UFNKZMXGVJKWLW-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM O=C([O-])CCCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541000919 516822173 /nfs/dbraw/zinc/82/21/73/516822173.db2.gz ROYITPWXBKAFCO-UHFFFAOYSA-N -1 1 364.379 2.803 20 5 FFBDMM CS[C@H]1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc21 ZINC000545089481 517048087 /nfs/dbraw/zinc/04/80/87/517048087.db2.gz WNOGKSUUZBTKBG-GFCCVEGCSA-N -1 1 357.351 2.996 20 5 FFBDMM C[C@@H]1C[C@]1([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548842340 517249234 /nfs/dbraw/zinc/24/92/34/517249234.db2.gz QRAOQWZNYXNEPY-MEBBXXQBSA-N -1 1 367.814 2.857 20 5 FFBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)c([N+](=O)[O-])n1 ZINC000533635087 517555022 /nfs/dbraw/zinc/55/50/22/517555022.db2.gz IOFJDZLRQGYHLC-ZDUSSCGKSA-N -1 1 364.427 2.512 20 5 FFBDMM CC(C)CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584448157 518345796 /nfs/dbraw/zinc/34/57/96/518345796.db2.gz GLJGWMAWIMJXAH-ZIAGYGMSSA-N -1 1 371.459 2.642 20 5 FFBDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000582382644 518727255 /nfs/dbraw/zinc/72/72/55/518727255.db2.gz ORYXYKJFQLPQSP-VFZGTOFNSA-N -1 1 352.343 2.534 20 5 FFBDMM CC[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000565033966 518753549 /nfs/dbraw/zinc/75/35/49/518753549.db2.gz BUJPVPKUAAMXAM-OAHLLOKOSA-N -1 1 370.409 2.789 20 5 FFBDMM CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000588823707 518840298 /nfs/dbraw/zinc/84/02/98/518840298.db2.gz JUNHSSHGGRLDCZ-UHFFFAOYSA-N -1 1 358.398 2.925 20 5 FFBDMM O=[N+]([O-])c1cc2c(c(-c3nc(-c4ccc([O-])cc4F)no3)c1)OCCO2 ZINC000589147417 518928924 /nfs/dbraw/zinc/92/89/24/518928924.db2.gz HCQYLGZUQURGMI-UHFFFAOYSA-N -1 1 359.269 2.928 20 5 FFBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCCOCc2ccccc2)c1 ZINC000590597530 519281201 /nfs/dbraw/zinc/28/12/01/519281201.db2.gz KPWIKGAEYHMBDT-UHFFFAOYSA-N -1 1 350.396 2.943 20 5 FFBDMM COCCOCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000600663580 520382235 /nfs/dbraw/zinc/38/22/35/520382235.db2.gz JYSKCXMESIOBLO-UHFFFAOYSA-N -1 1 366.395 2.559 20 5 FFBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000610212063 520581606 /nfs/dbraw/zinc/58/16/06/520581606.db2.gz JGCWQBNDEVMESO-OAHLLOKOSA-N -1 1 365.411 2.674 20 5 FFBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000610263028 520610048 /nfs/dbraw/zinc/61/00/48/520610048.db2.gz FPMRPNUEBOLRIL-OAHLLOKOSA-N -1 1 365.386 2.949 20 5 FFBDMM CC(C)n1cnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000593234536 520847384 /nfs/dbraw/zinc/84/73/84/520847384.db2.gz UYJBJRSCYUOZGA-UHFFFAOYSA-N -1 1 354.164 2.782 20 5 FFBDMM Cc1cccc(CN2CC[C@H](NC(=O)c3cccc([O-])c3[N+](=O)[O-])C2)c1 ZINC000601850562 520986102 /nfs/dbraw/zinc/98/61/02/520986102.db2.gz POJOAFDPXBODIV-HNNXBMFYSA-N -1 1 355.394 2.613 20 5 FFBDMM O=C(NCc1ccnc(Oc2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618353118 521018088 /nfs/dbraw/zinc/01/80/88/521018088.db2.gz AMYPIEYOHJWCTN-UHFFFAOYSA-N -1 1 366.333 2.813 20 5 FFBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000619507519 521602353 /nfs/dbraw/zinc/60/23/53/521602353.db2.gz GOKMDLXOVBWLFV-NSHDSACASA-N -1 1 370.349 2.859 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2c(F)c(F)cc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000823651760 599268141 /nfs/dbraw/zinc/26/81/41/599268141.db2.gz PBLZQHDGDAWJAQ-UHFFFAOYSA-N -1 1 356.195 2.519 20 5 FFBDMM O=[N+]([O-])c1cnc(Oc2c(F)c(F)cc(F)c2F)c(-c2nn[n-]n2)c1 ZINC000823651760 599268143 /nfs/dbraw/zinc/26/81/43/599268143.db2.gz PBLZQHDGDAWJAQ-UHFFFAOYSA-N -1 1 356.195 2.519 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000826498746 607450926 /nfs/dbraw/zinc/45/09/26/607450926.db2.gz IDDZLUSKVGJOLL-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000826498746 607450927 /nfs/dbraw/zinc/45/09/27/607450927.db2.gz IDDZLUSKVGJOLL-UHFFFAOYSA-N -1 1 362.353 2.573 20 5 FFBDMM CN(C)CCN(C)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830604979 601201529 /nfs/dbraw/zinc/20/15/29/601201529.db2.gz XFWSMUKNNOEYDC-UHFFFAOYSA-N -1 1 371.393 2.522 20 5 FFBDMM O=C([O-])CCC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000833226012 601798649 /nfs/dbraw/zinc/79/86/49/601798649.db2.gz XYLNMFJZYZWUDN-UHFFFAOYSA-N -1 1 358.398 2.993 20 5 FFBDMM COc1cc(C(C)=O)ccc1Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826177376 607543851 /nfs/dbraw/zinc/54/38/51/607543851.db2.gz FTQWAHNMSXISRM-UHFFFAOYSA-N -1 1 372.366 2.532 20 5 FFBDMM COc1cc(C(C)=O)ccc1Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826177376 607543852 /nfs/dbraw/zinc/54/38/52/607543852.db2.gz FTQWAHNMSXISRM-UHFFFAOYSA-N -1 1 372.366 2.532 20 5 FFBDMM O=[N+]([O-])c1cc(N[C@@H](CCCO)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826498373 607636311 /nfs/dbraw/zinc/63/63/11/607636311.db2.gz SAKZZUHFXUMMHI-HNNXBMFYSA-N -1 1 354.370 2.701 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCCC2)c(F)c1 ZINC000823624956 606700069 /nfs/dbraw/zinc/70/00/69/606700069.db2.gz MGWLSCFKUXSXTF-UHFFFAOYSA-N -1 1 370.348 2.653 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCCC2)c(F)c1 ZINC000823624956 606700071 /nfs/dbraw/zinc/70/00/71/606700071.db2.gz MGWLSCFKUXSXTF-UHFFFAOYSA-N -1 1 370.348 2.653 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC2(CCC2)c2c1cccc2F ZINC000823614726 606707533 /nfs/dbraw/zinc/70/75/33/606707533.db2.gz RSYLTYHKBNYNRB-UHFFFAOYSA-N -1 1 367.344 2.882 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC2(CCC2)c2c1cccc2F ZINC000823614726 606707535 /nfs/dbraw/zinc/70/75/35/606707535.db2.gz RSYLTYHKBNYNRB-UHFFFAOYSA-N -1 1 367.344 2.882 20 5 FFBDMM CCO[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357851 606715537 /nfs/dbraw/zinc/71/55/37/606715537.db2.gz GAIAJDSKLAUVKE-VXGBXAGGSA-N -1 1 361.406 2.566 20 5 FFBDMM CCO[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(CC)CC ZINC000821357851 606715538 /nfs/dbraw/zinc/71/55/38/606715538.db2.gz GAIAJDSKLAUVKE-VXGBXAGGSA-N -1 1 361.406 2.566 20 5 FFBDMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(Br)c1 ZINC000826499659 607900191 /nfs/dbraw/zinc/90/01/91/607900191.db2.gz RJIFIBCTNLOHIS-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(Br)c1 ZINC000826499659 607900192 /nfs/dbraw/zinc/90/01/92/607900192.db2.gz RJIFIBCTNLOHIS-UHFFFAOYSA-N -1 1 363.131 2.725 20 5 FFBDMM CCCCOc1ncccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119651630 728597928 /nfs/dbraw/zinc/59/79/28/728597928.db2.gz WPSFVFGSYVTBHA-UHFFFAOYSA-N -1 1 371.440 2.709 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000135536786 728738519 /nfs/dbraw/zinc/73/85/19/728738519.db2.gz CBIDTFMRNCYYTC-UHFFFAOYSA-N -1 1 363.370 2.736 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2SCCS2)cc1F ZINC000867532293 731196633 /nfs/dbraw/zinc/19/66/33/731196633.db2.gz TVAZVVCNGXDZSQ-UHFFFAOYSA-N -1 1 366.461 2.517 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000867735991 731218316 /nfs/dbraw/zinc/21/83/16/731218316.db2.gz JECFGQBYKAYPMN-BXUZGUMPSA-N -1 1 374.846 2.732 20 5 FFBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)OCO2 ZINC000781114965 738599729 /nfs/dbraw/zinc/59/97/29/738599729.db2.gz FCDZYUKNGPYXLY-UHFFFAOYSA-N -1 1 350.352 2.741 20 5 FFBDMM CS[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000784377028 738884706 /nfs/dbraw/zinc/88/47/06/738884706.db2.gz PBBNUTLVJPTPEH-LLVKDONJSA-N -1 1 350.437 2.790 20 5 FFBDMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000742327835 735228299 /nfs/dbraw/zinc/22/82/99/735228299.db2.gz HHXAPFGDXFBGSS-ZJUUUORDSA-N -1 1 350.849 2.811 20 5 FFBDMM COC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000750169254 735774453 /nfs/dbraw/zinc/77/44/53/735774453.db2.gz RZTFVHUFVDIWEX-UHFFFAOYSA-N -1 1 362.835 2.732 20 5 FFBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751429882 735873663 /nfs/dbraw/zinc/87/36/63/735873663.db2.gz MOFYHXUOWHYGBI-UHFFFAOYSA-N -1 1 364.851 2.858 20 5 FFBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000759134440 736549736 /nfs/dbraw/zinc/54/97/36/736549736.db2.gz WJCJTXOJVKZSEK-UHFFFAOYSA-N -1 1 356.747 2.529 20 5 FFBDMM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000771809019 737758197 /nfs/dbraw/zinc/75/81/97/737758197.db2.gz YHGRONAYNDMBQU-AAEUAGOBSA-N -1 1 362.835 2.730 20 5 FFBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923246837 738260578 /nfs/dbraw/zinc/26/05/78/738260578.db2.gz BPMBFDHMBWNTBN-ONGXEEELSA-N -1 1 357.204 2.900 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccs2)cc1Cl ZINC000798224934 740314370 /nfs/dbraw/zinc/31/43/70/740314370.db2.gz UPHXSOOUPLWMIG-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000800932504 740568439 /nfs/dbraw/zinc/56/84/39/740568439.db2.gz GUTMJMLTYVDUBB-UHFFFAOYSA-N -1 1 354.315 2.572 20 5 FFBDMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809393870 741305081 /nfs/dbraw/zinc/30/50/81/741305081.db2.gz XUKRESMEKCDFIO-GMSGAONNSA-N -1 1 371.242 2.587 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2CCSCC2)cc1Cl ZINC000809816764 741347236 /nfs/dbraw/zinc/34/72/36/741347236.db2.gz ODDYXDPXPOCFJR-UHFFFAOYSA-N -1 1 368.839 2.809 20 5 FFBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822195 741348795 /nfs/dbraw/zinc/34/87/95/741348795.db2.gz YAFGITPXWGKTKR-MRVPVSSYSA-N -1 1 371.242 2.731 20 5 FFBDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)O1 ZINC000809834201 741351414 /nfs/dbraw/zinc/35/14/14/741351414.db2.gz BIHWNNYMOCEWQA-MRVPVSSYSA-N -1 1 366.798 2.623 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000814977001 741877926 /nfs/dbraw/zinc/87/79/26/741877926.db2.gz SGNKBZWODZGUHC-UHFFFAOYSA-N -1 1 350.780 2.927 20 5 FFBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000815032193 741887041 /nfs/dbraw/zinc/88/70/41/741887041.db2.gz PIDWBVUMOZJNFR-SECBINFHSA-N -1 1 366.798 2.625 20 5 FFBDMM O=C(OCc1ccnc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000815218532 741913895 /nfs/dbraw/zinc/91/38/95/741913895.db2.gz CHQLKUVROUELNY-UHFFFAOYSA-N -1 1 353.128 2.815 20 5 FFBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000828381192 745061314 /nfs/dbraw/zinc/06/13/14/745061314.db2.gz LYJHZBIWQMLGPY-IMTBSYHQSA-N -1 1 354.812 2.560 20 5 FFBDMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830707822 745412832 /nfs/dbraw/zinc/41/28/32/745412832.db2.gz JXCTUTMFMCFTNP-VIFPVBQESA-N -1 1 371.242 2.587 20 5 FFBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCO1 ZINC000830833402 745438872 /nfs/dbraw/zinc/43/88/72/745438872.db2.gz DHMAQGBYMZKMAD-LBPRGKRZSA-N -1 1 369.226 2.749 20 5 FFBDMM C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000382042772 970976450 /nfs/dbraw/zinc/97/64/50/970976450.db2.gz UUXBQRSPWUMLCH-CJNGLKHVSA-N -1 1 355.394 2.693 20 5 FFBDMM C[C@@H](c1ccccc1)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000910374515 981920408 /nfs/dbraw/zinc/92/04/08/981920408.db2.gz USROSSLIYLDOLT-ZDUSSCGKSA-N -1 1 356.382 2.571 20 5 FFBDMM COc1c(C)cccc1CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599334434 997808388 /nfs/dbraw/zinc/80/83/88/997808388.db2.gz WZFONQNIRKXHRO-UHFFFAOYSA-N -1 1 360.366 2.665 20 5 FFBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C1CC1 ZINC000769050092 1000424248 /nfs/dbraw/zinc/42/42/48/1000424248.db2.gz ZFYYPZADEIAXBT-SFHVURJKSA-N -1 1 370.361 2.725 20 5 FFBDMM O=C(CCCc1nn[n-]n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001146335245 1000651726 /nfs/dbraw/zinc/65/17/26/1000651726.db2.gz HBPHPGVAESXKDW-UHFFFAOYSA-N -1 1 368.353 2.862 20 5 FFBDMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000788531362 1001822189 /nfs/dbraw/zinc/82/21/89/1001822189.db2.gz UEZRAIONFQRDEJ-HSMVNMDESA-N -1 1 357.366 2.686 20 5 FFBDMM COCC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001194425996 1004727508 /nfs/dbraw/zinc/72/75/08/1004727508.db2.gz VULUWWXGQYRCEE-UHFFFAOYSA-N -1 1 350.824 2.589 20 5 FFBDMM COc1cnc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc32)[n-]c1=O ZINC001187824584 1006243912 /nfs/dbraw/zinc/24/39/12/1006243912.db2.gz URROSRYSLNZOQI-OAHLLOKOSA-N -1 1 367.365 2.989 20 5 FFBDMM O=C(OCCOc1cccc([N+](=O)[O-])c1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203252 1018736380 /nfs/dbraw/zinc/73/63/80/1018736380.db2.gz QFZYICYBBAOCRV-UHFFFAOYSA-N -1 1 369.333 2.722 20 5 FFBDMM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c([O-])cc(F)cc1F ZINC000116109818 1022379186 /nfs/dbraw/zinc/37/91/86/1022379186.db2.gz WMVFQNIPGJHVHP-UHFFFAOYSA-N -1 1 367.260 2.802 20 5 FFBDMM Cc1c(Br)cncc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893828 1027214948 /nfs/dbraw/zinc/21/49/48/1027214948.db2.gz ARCCCZYLTPYREF-UHFFFAOYSA-N -1 1 351.120 2.501 20 5 FFBDMM O=c1nc2nc[nH]c2c(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[n-]1 ZINC001159205068 1027311283 /nfs/dbraw/zinc/31/12/83/1027311283.db2.gz STQXKTRBMWAACG-UHFFFAOYSA-N -1 1 357.717 2.912 20 5 FFBDMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001154336182 1028246740 /nfs/dbraw/zinc/24/67/40/1028246740.db2.gz ZVWUIZSDBFXKOD-UHFFFAOYSA-N -1 1 362.769 2.786 20 5 FFBDMM O=c1cc[n-]c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC001225663282 1034357157 /nfs/dbraw/zinc/35/71/57/1034357157.db2.gz BTNWRZMOWUMYGH-UHFFFAOYSA-N -1 1 360.326 2.651 20 5 FFBDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3[n-]ccc(=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001225664477 1034357760 /nfs/dbraw/zinc/35/77/60/1034357760.db2.gz OXPZSTKUSPRIIJ-DMDPSCGWSA-N -1 1 365.386 2.720 20 5 FFBDMM C[C@H]1CC[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665434 1034358941 /nfs/dbraw/zinc/35/89/41/1034358941.db2.gz ZFUGCLORXPJPGD-WDEREUQCSA-N -1 1 353.375 2.862 20 5 FFBDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC001228140076 1035957486 /nfs/dbraw/zinc/95/74/86/1035957486.db2.gz FNLVBVFQVQTMHO-JTQLQIEISA-N -1 1 368.390 2.647 20 5 FFBDMM CCOC(=O)[C@H]1CCC[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862491 1036369466 /nfs/dbraw/zinc/36/94/66/1036369466.db2.gz OCRCDQYPHKPLDG-CBAPKCEASA-N -1 1 364.276 2.825 20 5 FFBDMM CCOC(=O)[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])c(Cl)cc3[n-]2)CO1 ZINC001233497810 1036661355 /nfs/dbraw/zinc/66/13/55/1036661355.db2.gz IFZFGDJXPYPALK-AMIZOPFISA-N -1 1 369.761 2.614 20 5 FFBDMM CC(=O)N1CCC(Oc2cc([O-])cc3oc4c(O)cccc4c(=O)c23)CC1 ZINC001234746460 1037163795 /nfs/dbraw/zinc/16/37/95/1037163795.db2.gz DNEIOJSUCULSFD-UHFFFAOYSA-N -1 1 369.373 2.747 20 5 FFBDMM CC1=C(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)C(=O)O[C@@H]1C ZINC001234749331 1037167434 /nfs/dbraw/zinc/16/74/34/1037167434.db2.gz ZHAGTUXUNSTFLL-SECBINFHSA-N -1 1 354.314 2.956 20 5 FFBDMM CC[C@@H](Oc1cc2c(cc1O)oc1cc([O-])cc(OC)c1c2=O)C(=O)OC ZINC001234800746 1037184628 /nfs/dbraw/zinc/18/46/28/1037184628.db2.gz MGFGVTIHKTWTKU-GFCCVEGCSA-N -1 1 374.345 2.696 20 5 FFBDMM COC(C[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-])OC ZINC001234874687 1037216607 /nfs/dbraw/zinc/21/66/07/1037216607.db2.gz AWKCMARLMINELO-ZETCQYMHSA-N -1 1 350.165 2.839 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC2(CCC2)O1 ZINC001213514586 1040628824 /nfs/dbraw/zinc/62/88/24/1040628824.db2.gz FVLLDDRFXOESFL-SNVBAGLBSA-N -1 1 360.819 2.628 20 5 FFBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCOc1cccc(F)c1 ZINC001213972873 1041127995 /nfs/dbraw/zinc/12/79/95/1041127995.db2.gz DZIRCPIQOSKAHC-UHFFFAOYSA-N -1 1 372.349 2.620 20 5 FFBDMM O=[N+]([O-])c1ccc([O-])cc1-c1nc2cc(N3CCOCC3)c(F)cc2[nH]1 ZINC001250854358 1041402352 /nfs/dbraw/zinc/40/23/52/1041402352.db2.gz RLJSUKLUMGXSOI-UHFFFAOYSA-N -1 1 358.329 2.819 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cc1F ZINC001309696402 1043485945 /nfs/dbraw/zinc/48/59/45/1043485945.db2.gz XTBIEKKKGCIISC-GFCCVEGCSA-N -1 1 352.334 2.756 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC001309696043 1043486258 /nfs/dbraw/zinc/48/62/58/1043486258.db2.gz UBIKPSLZQATLHX-GFCCVEGCSA-N -1 1 352.334 2.756 20 5 FFBDMM Cc1cc(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC001329437544 1048717938 /nfs/dbraw/zinc/71/79/38/1048717938.db2.gz NHGWUURGVCUSLO-UHFFFAOYSA-N -1 1 350.318 2.508 20 5 FFBDMM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001542059854 1071160889 /nfs/dbraw/zinc/16/08/89/1071160889.db2.gz ADFWFBJBEHKUII-UHFFFAOYSA-N -1 1 353.334 2.628 20 5 FFBDMM O=C(N[C@@H](Cc1cccnc1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302867186 1051217410 /nfs/dbraw/zinc/21/74/10/1051217410.db2.gz CLGKTRGCARTEFQ-HNNXBMFYSA-N -1 1 356.382 2.622 20 5 FFBDMM O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([O-])c(F)c1 ZINC001455683206 1059868464 /nfs/dbraw/zinc/86/84/64/1059868464.db2.gz VYAAZXKEWTYTAP-UHFFFAOYSA-N -1 1 358.329 2.678 20 5 FFBDMM O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC001457222154 1060315368 /nfs/dbraw/zinc/31/53/68/1060315368.db2.gz OLCCHCUKECKGKR-UHFFFAOYSA-N -1 1 367.243 2.843 20 5 FFBDMM COC(=O)c1cc([N-]C(=O)c2cnc(C(C)=O)s2)c(C)c([N+](=O)[O-])c1 ZINC001459814214 1060825643 /nfs/dbraw/zinc/82/56/43/1060825643.db2.gz NQSRJXLJUNRSSL-UHFFFAOYSA-N -1 1 363.351 2.601 20 5 FFBDMM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC001475316726 1061045686 /nfs/dbraw/zinc/04/56/86/1061045686.db2.gz VESSLLJBWGEVNE-UFBFGSQYSA-N -1 1 368.814 2.727 20 5 FFBDMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OC ZINC001475316723 1061045744 /nfs/dbraw/zinc/04/57/44/1061045744.db2.gz VESSLLJBWGEVNE-QPUJVOFHSA-N -1 1 368.814 2.727 20 5 FFBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(C)C ZINC001475403900 1061076655 /nfs/dbraw/zinc/07/66/55/1061076655.db2.gz MAIKEEMSLVGCTN-VIFPVBQESA-N -1 1 368.814 2.727 20 5 FFBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC001464726203 1062785802 /nfs/dbraw/zinc/78/58/02/1062785802.db2.gz WQJKSXNDSIFLAA-AWEZNQCLSA-N -1 1 372.834 2.657 20 5 FFBDMM O=[N+]([O-])c1c(N[C@H]2CCN(c3ccccc3F)C2)cccc1-c1nnn[n-]1 ZINC001582802295 1079108651 /nfs/dbraw/zinc/10/86/51/1079108651.db2.gz OFHCXHDPPGPHKP-NSHDSACASA-N -1 1 369.360 2.605 20 5 FFBDMM O=[N+]([O-])c1c(N[C@H]2CCN(c3ccccc3F)C2)cccc1-c1nn[n-]n1 ZINC001582802295 1079108655 /nfs/dbraw/zinc/10/86/55/1079108655.db2.gz OFHCXHDPPGPHKP-NSHDSACASA-N -1 1 369.360 2.605 20 5 FFBDMM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1Oc1cccc(-c2nnco2)c1 ZINC001582803578 1079110359 /nfs/dbraw/zinc/11/03/59/1079110359.db2.gz MONWXRKNNSPQCO-UHFFFAOYSA-N -1 1 369.272 2.756 20 5 FFBDMM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC001561993973 1076462379 /nfs/dbraw/zinc/46/23/79/1076462379.db2.gz BWLXTZNKVAYIAL-NSHDSACASA-N -1 1 362.835 2.874 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589803418 1080759445 /nfs/dbraw/zinc/75/94/45/1080759445.db2.gz MMBFPUCNSSNMJQ-QFYYESIMSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589803418 1080759452 /nfs/dbraw/zinc/75/94/52/1080759452.db2.gz MMBFPUCNSSNMJQ-QFYYESIMSA-N -1 1 372.360 2.838 20 5 FFBDMM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001589991534 1080926299 /nfs/dbraw/zinc/92/62/99/1080926299.db2.gz RVNWZQZMXYSBLE-MRXNPFEDSA-N -1 1 374.788 2.748 20 5 FFBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000272500634 252054632 /nfs/dbraw/zinc/05/46/32/252054632.db2.gz UJJONWZZMVSYNX-UHFFFAOYSA-N -1 1 360.342 2.982 20 5 FFBDMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000277338744 256186923 /nfs/dbraw/zinc/18/69/23/256186923.db2.gz OSKOCRFWSBSRBP-HNNXBMFYSA-N -1 1 360.366 2.918 20 5 FFBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000277592125 256215244 /nfs/dbraw/zinc/21/52/44/256215244.db2.gz NMPSAUQKULPEPS-UHFFFAOYSA-N -1 1 362.289 2.812 20 5 FFBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100036182 222233043 /nfs/dbraw/zinc/23/30/43/222233043.db2.gz CMLUOAKWAIRMRO-UHFFFAOYSA-N -1 1 350.218 2.803 20 5 FFBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000032595485 506269077 /nfs/dbraw/zinc/26/90/77/506269077.db2.gz MXALXACQHDQFJJ-UHFFFAOYSA-N -1 1 358.379 2.890 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)s1 ZINC000066000449 506409528 /nfs/dbraw/zinc/40/95/28/506409528.db2.gz HVGTWYRWNZKRDE-UHFFFAOYSA-N -1 1 365.392 2.790 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000366986486 512283099 /nfs/dbraw/zinc/28/30/99/512283099.db2.gz FFFJWTQTIZTOFV-ZDUSSCGKSA-N -1 1 361.329 2.518 20 5 FFBDMM CCn1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n[n-]c1=S ZINC000068453606 507237405 /nfs/dbraw/zinc/23/74/05/507237405.db2.gz UZPKAIKMLLZQIP-UHFFFAOYSA-N -1 1 367.456 2.950 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)s1 ZINC000064243040 507786684 /nfs/dbraw/zinc/78/66/84/507786684.db2.gz YZCSGXISXOAWBY-UHFFFAOYSA-N -1 1 355.422 2.745 20 5 FFBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC000030115507 507802344 /nfs/dbraw/zinc/80/23/44/507802344.db2.gz XDURPRNYXMNUQT-MRVPVSSYSA-N -1 1 355.272 2.793 20 5 FFBDMM COc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000121350121 509168679 /nfs/dbraw/zinc/16/86/79/509168679.db2.gz ATWJYAIGXNFJFR-UHFFFAOYSA-N -1 1 374.378 2.590 20 5 FFBDMM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185911024 509421555 /nfs/dbraw/zinc/42/15/55/509421555.db2.gz QZDCKEPYXOWMEW-JSGCOSHPSA-N -1 1 363.757 2.609 20 5 FFBDMM CCO[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000173523380 509639882 /nfs/dbraw/zinc/63/98/82/509639882.db2.gz HBPWVYMUUTVZIQ-CYBMUJFWSA-N -1 1 364.851 2.978 20 5 FFBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000186557030 509769639 /nfs/dbraw/zinc/76/96/39/509769639.db2.gz NFHCRQIWMGGXDQ-UHFFFAOYSA-N -1 1 367.159 2.601 20 5 FFBDMM O=C(NCCSc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186790849 509898380 /nfs/dbraw/zinc/89/83/80/509898380.db2.gz ZYBOPSOZPUSKPB-UHFFFAOYSA-N -1 1 353.787 2.871 20 5 FFBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000186940746 509964577 /nfs/dbraw/zinc/96/45/77/509964577.db2.gz FNFGHXUYXKEXEX-QMMMGPOBSA-N -1 1 353.281 2.788 20 5 FFBDMM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193784713 510068230 /nfs/dbraw/zinc/06/82/30/510068230.db2.gz VVMHGWWARUXDKC-UHFFFAOYSA-N -1 1 365.748 2.950 20 5 FFBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000187146848 510086380 /nfs/dbraw/zinc/08/63/80/510086380.db2.gz VMCNWHVXPFNHQW-SECBINFHSA-N -1 1 351.746 2.546 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000194016679 510176797 /nfs/dbraw/zinc/17/67/97/510176797.db2.gz DRININHAYDCIRM-CQSZACIVSA-N -1 1 363.757 2.563 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC000295185665 511312521 /nfs/dbraw/zinc/31/25/21/511312521.db2.gz ISFCDAPXZXGRQS-HTQZYQBOSA-N -1 1 369.226 2.605 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCOC1 ZINC000295185672 511313302 /nfs/dbraw/zinc/31/33/02/511313302.db2.gz ISFCDAPXZXGRQS-SFYZADRCSA-N -1 1 369.226 2.605 20 5 FFBDMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000324234985 511834958 /nfs/dbraw/zinc/83/49/58/511834958.db2.gz WHLLVPNBJHKFEO-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000327392629 511875835 /nfs/dbraw/zinc/87/58/35/511875835.db2.gz YRQGZZAPAVFQKO-UHFFFAOYSA-N -1 1 372.305 2.680 20 5 FFBDMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000447405015 513466968 /nfs/dbraw/zinc/46/69/68/513466968.db2.gz WBGQOJFVUDAYEB-UHFFFAOYSA-N -1 1 356.331 2.552 20 5 FFBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC000416500484 513804252 /nfs/dbraw/zinc/80/42/52/513804252.db2.gz CTVGMVQDVXXHJP-UHFFFAOYSA-N -1 1 362.835 2.733 20 5 FFBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC000416643927 513884286 /nfs/dbraw/zinc/88/42/86/513884286.db2.gz HYRDUBQMRAAZGS-SNVBAGLBSA-N -1 1 350.824 2.588 20 5 FFBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(F)(F)F ZINC000443929109 514073648 /nfs/dbraw/zinc/07/36/48/514073648.db2.gz ODPQUUDHMCWJGV-UFBFGSQYSA-N -1 1 370.349 2.859 20 5 FFBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000432191714 514121691 /nfs/dbraw/zinc/12/16/91/514121691.db2.gz KQMKGSSDAACRFL-UHFFFAOYSA-N -1 1 356.743 2.747 20 5 FFBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000444218369 514157876 /nfs/dbraw/zinc/15/78/76/514157876.db2.gz FXGNVMGLMYLGFS-SCZZXKLOSA-N -1 1 363.233 2.824 20 5 FFBDMM Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1[N+](=O)[O-] ZINC000427299251 514176913 /nfs/dbraw/zinc/17/69/13/514176913.db2.gz KYFIFRUTRSGUNX-UHFFFAOYSA-N -1 1 368.342 2.850 20 5 FFBDMM CCOC(=O)c1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])c([O-])c1 ZINC000444326869 514194775 /nfs/dbraw/zinc/19/47/75/514194775.db2.gz DFIQWPSWNYYCAM-UHFFFAOYSA-N -1 1 360.322 2.738 20 5 FFBDMM Cc1nc(-c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)o2)cs1 ZINC000444830433 514345604 /nfs/dbraw/zinc/34/56/04/514345604.db2.gz SDWWIOWQHWJCMW-UHFFFAOYSA-N -1 1 360.351 2.650 20 5 FFBDMM CN(Cc1cccc(Br)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444853318 514350730 /nfs/dbraw/zinc/35/07/30/514350730.db2.gz DXLDPATWWYMFHM-UHFFFAOYSA-N -1 1 366.171 2.730 20 5 FFBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccc(F)c(Cl)c1 ZINC000445379484 514473246 /nfs/dbraw/zinc/47/32/46/514473246.db2.gz RUYJPOOQXPFTTF-UHFFFAOYSA-N -1 1 365.708 2.947 20 5 FFBDMM CC(C)(NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000461637401 514678488 /nfs/dbraw/zinc/67/84/88/514678488.db2.gz XJGZHDCVASTGAN-UHFFFAOYSA-N -1 1 367.369 2.517 20 5 FFBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000471118012 514759822 /nfs/dbraw/zinc/75/98/22/514759822.db2.gz YOVPULFPHQWYKY-UHFFFAOYSA-N -1 1 374.733 2.886 20 5 FFBDMM COc1cccc(-c2nc(=NC(=O)c3cc(O)cc([N+](=O)[O-])c3)s[n-]2)c1 ZINC000476023219 514886774 /nfs/dbraw/zinc/88/67/74/514886774.db2.gz PCWRUXDHUGCLDB-UHFFFAOYSA-N -1 1 372.362 2.502 20 5 FFBDMM CC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000480432639 514956159 /nfs/dbraw/zinc/95/61/59/514956159.db2.gz AVMLXVYMMKDNNG-UHFFFAOYSA-N -1 1 363.233 2.826 20 5 FFBDMM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c[nH]c2c1 ZINC000485877677 515231071 /nfs/dbraw/zinc/23/10/71/515231071.db2.gz YSRBCIRCYWEZTL-UHFFFAOYSA-N -1 1 365.436 2.967 20 5 FFBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000499282637 515266721 /nfs/dbraw/zinc/26/67/21/515266721.db2.gz JZKUWDCNXDBJFT-UHFFFAOYSA-N -1 1 362.367 2.589 20 5 FFBDMM CN(C)[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000486434983 515481590 /nfs/dbraw/zinc/48/15/90/515481590.db2.gz PNYLIPKCRGVEOQ-MRXNPFEDSA-N -1 1 353.382 2.782 20 5 FFBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000510599894 515602433 /nfs/dbraw/zinc/60/24/33/515602433.db2.gz MLXCAGVNAAATNN-MRVPVSSYSA-N -1 1 359.766 2.822 20 5 FFBDMM CCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]c1-c1ccncc1 ZINC000506006422 515749619 /nfs/dbraw/zinc/74/96/19/515749619.db2.gz GOHHMICMESNDIX-UHFFFAOYSA-N -1 1 353.338 2.900 20 5 FFBDMM O=C1[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000470455491 516257353 /nfs/dbraw/zinc/25/73/53/516257353.db2.gz IRLLYMRSTOMCNE-CQSZACIVSA-N -1 1 372.406 2.865 20 5 FFBDMM COc1cc(-c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000536138134 516646407 /nfs/dbraw/zinc/64/64/07/516646407.db2.gz ZQVOQUYBSISKRR-UHFFFAOYSA-N -1 1 357.322 2.919 20 5 FFBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(OCC2CCCCC2)CC1 ZINC000518473891 516673293 /nfs/dbraw/zinc/67/32/93/516673293.db2.gz IHTWTJZAYGODGH-UHFFFAOYSA-N -1 1 363.414 2.897 20 5 FFBDMM COc1cccc(C2(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCCC2)c1 ZINC000518684556 516740863 /nfs/dbraw/zinc/74/08/63/516740863.db2.gz GGKZPRYTBHEOKX-UHFFFAOYSA-N -1 1 371.393 2.946 20 5 FFBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000555527260 516955010 /nfs/dbraw/zinc/95/50/10/516955010.db2.gz ZZLRGKNTRFANBE-UHFFFAOYSA-N -1 1 374.378 2.918 20 5 FFBDMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OC ZINC000533009584 517248749 /nfs/dbraw/zinc/24/87/49/517248749.db2.gz JMRDXCYPQZWCPP-LLVKDONJSA-N -1 1 350.462 2.776 20 5 FFBDMM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000563206058 517734989 /nfs/dbraw/zinc/73/49/89/517734989.db2.gz IADSVDQBVFJGGR-AWEZNQCLSA-N -1 1 360.370 2.920 20 5 FFBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)[n-]1 ZINC000547158676 518005563 /nfs/dbraw/zinc/00/55/63/518005563.db2.gz WABOQDXXRJGTEO-UHFFFAOYSA-N -1 1 359.317 2.616 20 5 FFBDMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000539385536 518021466 /nfs/dbraw/zinc/02/14/66/518021466.db2.gz SWKKSPFEXQYJBV-ZEGGKSINSA-N -1 1 362.835 2.586 20 5 FFBDMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000522623292 518137256 /nfs/dbraw/zinc/13/72/56/518137256.db2.gz BPQGPIAQEKXNMT-UHFFFAOYSA-N -1 1 352.437 2.975 20 5 FFBDMM Cc1c([N-]S(=O)(=O)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000539855113 518172390 /nfs/dbraw/zinc/17/23/90/518172390.db2.gz IBGRIBJYQMWWNK-UHFFFAOYSA-N -1 1 354.359 2.863 20 5 FFBDMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000582253274 518662264 /nfs/dbraw/zinc/66/22/64/518662264.db2.gz YJMAYLFYOZFEAJ-SUNKGSAMSA-N -1 1 360.370 2.718 20 5 FFBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H](C)C(=O)[O-])cc1OC ZINC000565105851 518789648 /nfs/dbraw/zinc/78/96/48/518789648.db2.gz UPKFJVXYMNJUKS-NEPJUHHUSA-N -1 1 354.403 2.933 20 5 FFBDMM COc1cc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000565111407 518791067 /nfs/dbraw/zinc/79/10/67/518791067.db2.gz LUXNGSJDSMIQRK-SECBINFHSA-N -1 1 374.340 2.890 20 5 FFBDMM Cc1ccc([C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])N2CCCC2)o1 ZINC000582847632 518951127 /nfs/dbraw/zinc/95/11/27/518951127.db2.gz ZLGPHUBDZCVCIT-ZDUSSCGKSA-N -1 1 360.370 2.838 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCC2)c(C(F)(F)F)c1 ZINC000580068860 518992002 /nfs/dbraw/zinc/99/20/02/518992002.db2.gz YGLVHWJRTSIAIF-UHFFFAOYSA-N -1 1 356.297 2.784 20 5 FFBDMM Cc1cc(N[C@@H]2CCCC[C@H]2N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577733791 519228807 /nfs/dbraw/zinc/22/88/07/519228807.db2.gz CXHIHBSCUVLKDH-HZPDHXFCSA-N -1 1 363.414 2.657 20 5 FFBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)cc1C ZINC000608908927 520160970 /nfs/dbraw/zinc/16/09/70/520160970.db2.gz CCERTQAGKDLQDY-UHFFFAOYSA-N -1 1 373.394 2.593 20 5 FFBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1(F)F ZINC000594851234 520187114 /nfs/dbraw/zinc/18/71/14/520187114.db2.gz HZNJIKMZHIHBBT-SNVBAGLBSA-N -1 1 374.287 2.937 20 5 FFBDMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC000609286740 520258049 /nfs/dbraw/zinc/25/80/49/520258049.db2.gz HMMOMPCSJJBWDJ-UHFFFAOYSA-N -1 1 361.335 2.575 20 5 FFBDMM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCC[C@@H]12 ZINC000595245939 520369203 /nfs/dbraw/zinc/36/92/03/520369203.db2.gz USPOIONPXDKGLH-ZOWXZIJZSA-N -1 1 372.381 2.577 20 5 FFBDMM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCC[C@H]12 ZINC000595245937 520369912 /nfs/dbraw/zinc/36/99/12/520369912.db2.gz USPOIONPXDKGLH-LALPHHSUSA-N -1 1 372.381 2.577 20 5 FFBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000610266052 520612668 /nfs/dbraw/zinc/61/26/68/520612668.db2.gz JSJLFXOCVOGYPF-CUOATXAZSA-N -1 1 374.846 2.730 20 5 FFBDMM Cc1cc(NC[C@@H](CC(C)C)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968096 520664858 /nfs/dbraw/zinc/66/48/58/520664858.db2.gz YAMDUQUUGDHJOA-OAHLLOKOSA-N -1 1 365.430 2.760 20 5 FFBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)s1 ZINC000610711866 520808834 /nfs/dbraw/zinc/80/88/34/520808834.db2.gz VIKMTAXCPOGUIO-VIFPVBQESA-N -1 1 360.800 2.722 20 5 FFBDMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618370102 521036776 /nfs/dbraw/zinc/03/67/76/521036776.db2.gz ZZKIUWIJHZFCJO-YOEHRIQHSA-N -1 1 371.393 2.935 20 5 FFBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818339412 597313145 /nfs/dbraw/zinc/31/31/45/597313145.db2.gz ZMUTXCPEKZSTMQ-UHFFFAOYSA-N -1 1 364.379 2.585 20 5 FFBDMM Cn1ccnc1[C@@H](NC1CCC(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000821305072 597664833 /nfs/dbraw/zinc/66/48/33/597664833.db2.gz PGJINVIDFLVWOP-PXCJXSSVSA-N -1 1 358.398 2.651 20 5 FFBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000823414329 599695388 /nfs/dbraw/zinc/69/53/88/599695388.db2.gz UMDAVPPFOUAKBQ-UHFFFAOYSA-N -1 1 365.758 2.847 20 5 FFBDMM CC[C@@](NCc1cc([N+](=O)[O-])cc2c1OCOC2)(C(=O)[O-])c1ccccc1 ZINC000736916402 600131299 /nfs/dbraw/zinc/13/12/99/600131299.db2.gz HUBSBIOUGQSRID-IBGZPJMESA-N -1 1 372.377 2.941 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCCO3)cc1-c1nnn[n-]1 ZINC000826498771 607452210 /nfs/dbraw/zinc/45/22/10/607452210.db2.gz JECVDLQBYVMGBD-UHFFFAOYSA-N -1 1 368.353 2.548 20 5 FFBDMM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCCO3)cc1-c1nn[n-]n1 ZINC000826498771 607452211 /nfs/dbraw/zinc/45/22/11/607452211.db2.gz JECVDLQBYVMGBD-UHFFFAOYSA-N -1 1 368.353 2.548 20 5 FFBDMM O=C([O-])CCCc1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000739708212 600540794 /nfs/dbraw/zinc/54/07/94/600540794.db2.gz OGFNTOQTXOTMHF-UHFFFAOYSA-N -1 1 370.774 2.759 20 5 FFBDMM Cc1ccc(C(C)(C)CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822227240 606714165 /nfs/dbraw/zinc/71/41/65/606714165.db2.gz ATAGEDXFULOFPN-UHFFFAOYSA-N -1 1 367.413 2.892 20 5 FFBDMM Cc1ccc(C(C)(C)CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822227240 606714166 /nfs/dbraw/zinc/71/41/66/606714166.db2.gz ATAGEDXFULOFPN-UHFFFAOYSA-N -1 1 367.413 2.892 20 5 FFBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccccc2Cl)CC1 ZINC000826497495 608149310 /nfs/dbraw/zinc/14/93/10/608149310.db2.gz JDUIUENPPVOXTE-UHFFFAOYSA-N -1 1 371.788 2.967 20 5 FFBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccccc2Cl)CC1 ZINC000826497495 608149311 /nfs/dbraw/zinc/14/93/11/608149311.db2.gz JDUIUENPPVOXTE-UHFFFAOYSA-N -1 1 371.788 2.967 20 5 FFBDMM CCOc1cccc([C@@H]2C[C@H]2Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000825649340 608588854 /nfs/dbraw/zinc/58/88/54/608588854.db2.gz PJRBCYKSUVVUDY-UONOGXRCSA-N -1 1 367.369 2.537 20 5 FFBDMM CCOc1cccc([C@@H]2C[C@H]2Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000825649340 608588856 /nfs/dbraw/zinc/58/88/56/608588856.db2.gz PJRBCYKSUVVUDY-UONOGXRCSA-N -1 1 367.369 2.537 20 5 FFBDMM