COC(=O)c1ccc(O)cc1 ZINC000000001712 41/09/40/574410940 LXCFILQKKLGQFO-UHFFFAOYSA-N -1 152.149 AD 1.179 3 Anodyne high ADAAHM COC(=O)c1ccc([O-])cc1 in-man endogenous COC(=O)c1ccc(O)cc1 ZINC000000001712 41/09/39/574410939 LXCFILQKKLGQFO-UHFFFAOYSA-N -1 152.149 AD 1.179 0 Anodyne ref ADAARM COC(=O)c1ccc(O)cc1 in-man endogenous COC(=O)c1ccc(C=O)cc1 ZINC000000016592 13/08/70/168130870 FEIOASZZURHTHB-UHFFFAOYSA-N 0 164.16 AD 1.286 0 Anodyne ref ADAARN COC(=O)c1ccc(C=O)cc1 in-vitro biogenic O=C(O)c1ccc2nccnc2c1 ZINC000000037412 92/46/22/342924622 JGQDBVXRYDEWGM-UHFFFAOYSA-N -1 174.159 AD 1.328 0 Anodyne ref ADAARM O=C([O-])c1ccc2nccnc2c1 in-vitro O=C(O)/C=C/c1ccc(O)c(O)c1 ZINC000000058172 33/46/83/169334683 QAIPRVGONGVQAS-DUXPYHPUSA-N -1 180.159 AD 1.196 0 Clean ref ADCARM O=C([O-])/C=C/c1ccc(O)c(O)c1 in-man endogenous COc1ccc(/C=C/C(=O)O)cc1 ZINC000000077999 24/33/33/168243333 AFDXODALSZRGIH-QPJJXVBHSA-N -1 178.187 AD 1.793 0 Anodyne ref ADAARM COc1ccc(/C=C/C(=O)[O-])cc1 in-man endogenous NNc1cccc(Cl)c1 ZINC000000085247 23/84/87/169238487 GFPJLZASIVURDY-UHFFFAOYSA-N 0 142.589 AD 1.626 0 Anodyne ref ADAARN NNc1cccc(Cl)c1 NNc1ccccc1Br ZINC000000088591 23/84/98/169238498 ZWMQVBSLMQSMDH-UHFFFAOYSA-N 0 187.04 AD 1.735 0 Anodyne ref ADAARN NNc1ccccc1Br COc1ccc(CN)c(OC)c1 ZINC000000119693 25/17/08/168251708 QOWBXWFYRXSBAS-UHFFFAOYSA-N 0 167.208 AD 1.162 3 Anodyne high ADAAHN COc1ccc(CN)c(OC)c1 COc1ccc(CN)c(OC)c1 ZINC000000119693 25/17/06/168251706 QOWBXWFYRXSBAS-UHFFFAOYSA-N 1 167.208 AD 1.162 0 Anodyne ref ADAARO COc1ccc(C[NH3+])c(OC)c1 COC(=O)c1ccc(C)c(N)c1 ZINC000000152678 13/06/01/168130601 YEPWCJHMSVABPQ-UHFFFAOYSA-N 0 165.192 AD 1.364 0 Anodyne ref ADAARN COC(=O)c1ccc(C)c(N)c1 Nc1cc(Cl)ccc1C(=O)O ZINC000000152811 28/64/18/169286418 JYYLQSCZISREGY-UHFFFAOYSA-N -1 171.583 AD 1.62 0 Anodyne ref ADAARM Nc1cc(Cl)ccc1C(=O)[O-] Cc1ccc(NN)cc1 ZINC000000153114 82/78/68/168827868 XAMBIJWZVIZZOG-UHFFFAOYSA-N 0 122.171 AD 1.281 0 Anodyne ref ADAARN Cc1ccc(NN)cc1 Nc1cccc2cnccc12 ZINC000000154819 29/75/08/169297508 DTVYNUOOZIKEEX-UHFFFAOYSA-N 0 144.177 AD 1.817 0 Anodyne ref ADAARN Nc1cccc2cnccc12 in-vivo COc1cc(C=O)c(OC)cc1C=O ZINC000000154985 23/27/79/168232779 YSIIHTHHMPYKFP-UHFFFAOYSA-N 0 194.186 AD 1.329 0 Anodyne ref ADAARN COc1cc(C=O)c(OC)cc1C=O C[N+]1(C)CCN(c2ccccc2)CC1 ZINC000000155006 17/85/43/132178543 MKGIQRNAGSSHRV-UHFFFAOYSA-N 1 191.298 AD 1.583 0 Bother ref ADBARO C[N+]1(C)CCN(c2ccccc2)CC1 investigational COc1ccc(C=O)cc1 ZINC000000157146 24/80/35/168248035 ZRSNZINYAWTAHE-UHFFFAOYSA-N 0 136.15 AD 1.508 0 Anodyne ref ADAARN COc1ccc(C=O)cc1 in-man endogenous Oc1cccnc1Br ZINC000000157191 27/17/62/351271762 YKHQFTANTNMYPP-UHFFFAOYSA-N 0 173.997 AD 1.55 1 Anodyne mid ADAAMN Oc1cccnc1Br Oc1cccnc1Br ZINC000000157191 27/17/60/351271760 YKHQFTANTNMYPP-UHFFFAOYSA-N -1 173.997 AD 1.55 0 Anodyne ref ADAARM [O-]c1cccnc1Br COc1ccc(C(C)=O)cc1 ZINC000000157405 41/09/64/574410964 NTPLXRHDUXRPNE-UHFFFAOYSA-N 0 150.177 AD 1.898 0 Anodyne ref ADAARN COc1ccc(C(C)=O)cc1 in-man endogenous O=[N+]([O-])c1ccc(CO)cc1 ZINC000000157462 27/15/57/351271557 JKTYGPATCNUWKN-UHFFFAOYSA-N 0 153.137 AD 1.087 0 Bother ref ADBARN O=[N+]([O-])c1ccc(CO)cc1 in-vitro metabolite N#Cc1c(F)cccc1F ZINC000000164372 93/03/17/342930317 BNBRIFIJRKJGEI-UHFFFAOYSA-N 0 139.104 AD 1.836 0 Mild ref ADEARN N#Cc1c(F)cccc1F in-vitro COc1cc(O)ccc1O ZINC000000164619 23/67/91/168236791 LAQYHRQFABOIFD-UHFFFAOYSA-N 0 140.138 AD 1.106 0 Anodyne ref ADAARN COc1cc(O)ccc1O N#Cc1c(F)cc(F)cc1F ZINC000000164883 93/05/78/342930578 HTKFGTCCOJIUIK-UHFFFAOYSA-N 0 157.094 AD 1.976 0 Mild ref ADEARN N#Cc1c(F)cc(F)cc1F in-vitro Nc1ccc(OC(F)F)cc1 ZINC000000167204 29/22/93/169292293 NDEZTSHWEPQVBX-UHFFFAOYSA-N 0 159.135 AD 1.87 0 Clean ref ADCARN Nc1ccc(OC(F)F)cc1 O=C(O)CC(=O)Nc1ccccc1 ZINC000000230457 99/37/52/170993752 NOJXRHBIVBIMQY-UHFFFAOYSA-N -1 179.175 AD 1.1 0 Anodyne ref ADAARM O=C([O-])CC(=O)Nc1ccccc1 CNc1ccccc1C(=O)O ZINC000000270812 06/81/24/168068124 WVMBPWMAQDVZCM-UHFFFAOYSA-N -1 151.165 AD 1.426 0 Anodyne ref ADAARM CNc1ccccc1C(=O)[O-] in-man endogenous O=C(O)[C@@H](O)c1ccc(Cl)cc1 ZINC000000281398 34/61/99/169346199 BWSFWXSSALIZAU-ZETCQYMHSA-N -1 186.594 AD 1.458 0 Anodyne ref ADAARM O=C([O-])[C@@H](O)c1ccc(Cl)cc1 O=C(O)[C@H](O)c1ccc(Cl)cc1 ZINC000000281400 35/08/61/169350861 BWSFWXSSALIZAU-SSDOTTSWSA-N -1 186.594 AD 1.458 0 Anodyne ref ADAARM O=C([O-])[C@H](O)c1ccc(Cl)cc1 CC(=O)c1ccc(O)cc1 ZINC000000330136 32/39/73/166323973 TXFPEBPIARQUIG-UHFFFAOYSA-N -1 136.15 AD 1.595 1 Anodyne mid ADAAMM CC(=O)c1ccc([O-])cc1 in-vitro biogenic CC(=O)c1ccc(O)cc1 ZINC000000330136 32/39/69/166323969 TXFPEBPIARQUIG-UHFFFAOYSA-N 0 136.15 AD 1.595 0 Anodyne ref ADAARN CC(=O)c1ccc(O)cc1 in-vitro biogenic Nc1cnccc1Cl ZINC000000331594 30/24/10/169302410 GTLFLMZOABSJSV-UHFFFAOYSA-N 0 128.562 AD 1.317 0 Anodyne ref ADAARN Nc1cnccc1Cl in-vitro Cc1ccc(O)cn1 ZINC000000331651 82/99/53/168829953 DHLUJPLHLZJUBW-UHFFFAOYSA-N 0 109.128 AD 1.096 0 Anodyne ref ADAARN Cc1ccc(O)cn1 Oc1ccc2ccncc2c1 ZINC000000332571 27/53/28/351275328 WCRKBMABEPCYII-UHFFFAOYSA-N 0 145.161 AD 1.94 0 Anodyne ref ADAARN Oc1ccc2ccncc2c1 Nc1cncc2ccccc12 ZINC000000332648 30/29/11/169302911 ISIUXVGHQFJYHM-UHFFFAOYSA-N 0 144.177 AD 1.817 0 Anodyne ref ADAARN Nc1cncc2ccccc12 in-vitro O=Cc1ccc(C(=O)O)s1 ZINC000000334108 93/40/26/342934026 VFEAMMGYJFFXKV-UHFFFAOYSA-N -1 156.162 AD 1.259 0 Anodyne ref ADAARM O=Cc1ccc(C(=O)[O-])s1 in-vitro O=C(O)c1ncccc1Cl ZINC000000343396 93/44/16/342934416 XTMUXJBJCMRWPG-UHFFFAOYSA-N -1 157.556 AD 1.433 0 Anodyne ref ADAARM O=C([O-])c1ncccc1Cl in-vitro NC(=O)CC1(CC(=O)O)CCCCC1 ZINC000000366885 14/77/49/169147749 QJGSJXLCJRXTRY-UHFFFAOYSA-N -1 199.25 AD 1.287 0 Anodyne ref ADAARM NC(=O)CC1(CC(=O)[O-])CCCCC1 O=C1C[C@@H](c2ccc(F)cc2)CN1 ZINC000000367037 38/16/47/169381647 JIQYWLZCHCBUSG-MRVPVSSYSA-N 0 179.194 AD 1.429 0 Anodyne ref ADAARN O=C1C[C@@H](c2ccc(F)cc2)CN1 Nc1ccccc1S ZINC000000388144 29/89/08/169298908 VRVRGVPWCUEOGV-UHFFFAOYSA-N 0 125.196 AD 1.557 2 Anodyne low ADAALN Nc1ccccc1S in-vitro Nc1ccccc1S ZINC000000388144 29/89/07/169298907 VRVRGVPWCUEOGV-UHFFFAOYSA-N -1 125.196 AD 1.557 0 Anodyne ref ADAARM Nc1ccccc1[S-] in-vitro COc1ccc(Cl)c(N)c1 ZINC000000388309 25/23/43/168252343 GBOUQGUQUUPGLO-UHFFFAOYSA-N 0 157.6 AD 1.931 0 Anodyne ref ADAARN COc1ccc(Cl)c(N)c1 COc1ccc2c(c1)C(=O)CC2 ZINC000000388443 27/71/10/351277110 UJGDLLGKMWVCPT-UHFFFAOYSA-N 0 162.188 AD 1.824 0 Anodyne ref ADAARN COc1ccc2c(c1)C(=O)CC2 in-vitro COC(=O)CCc1ccc(O)cc1 ZINC000000389717 08/97/28/168089728 XRAMJHXWXCMGJM-UHFFFAOYSA-N 0 180.203 AD 1.498 0 Anodyne ref ADAARN COC(=O)CCc1ccc(O)cc1 CN1CCC[C@H]1c1cccnc1 ZINC000000391812 93/67/79/342936779 SNICXCGAKADSCV-JTQLQIEISA-N 0 162.236 AD 1.848 3 Anodyne high ADAAHN CN1CCC[C@H]1c1cccnc1 fda biogenic CN1CCC[C@H]1c1cccnc1 ZINC000000391812 93/67/77/342936777 SNICXCGAKADSCV-JTQLQIEISA-N 1 162.236 AD 1.848 1 Anodyne mid ADAAMO C[N@H+]1CCC[C@H]1c1cccnc1 fda biogenic CN1CCC[C@H]1c1cccnc1 ZINC000000391812 93/67/75/342936775 SNICXCGAKADSCV-JTQLQIEISA-N 1 162.236 AD 1.848 0 Anodyne ref ADAARO C[N@@H+]1CCC[C@H]1c1cccnc1 fda biogenic N#CCc1ccccc1CC#N ZINC000000392023 10/35/89/169103589 FWPFXBANOKKNBR-UHFFFAOYSA-N 0 156.188 AD 1.819 0 Mild ref ADEARN N#CCc1ccccc1CC#N Nc1ccc(O)cc1Cl ZINC000000395500 29/32/82/169293282 PNLPXABQLXSICH-UHFFFAOYSA-N 0 143.573 AD 1.628 0 Anodyne ref ADAARN Nc1ccc(O)cc1Cl Nc1ccc(O)c(Cl)c1 ZINC000000396100 29/28/80/169292880 ZYZQSCWSPFLAFM-UHFFFAOYSA-N -1 143.573 AD 1.628 3 Anodyne high ADAAHM Nc1ccc([O-])c(Cl)c1 Nc1ccc(O)c(Cl)c1 ZINC000000396100 29/28/79/169292879 ZYZQSCWSPFLAFM-UHFFFAOYSA-N 0 143.573 AD 1.628 0 Anodyne ref ADAARN Nc1ccc(O)c(Cl)c1 COCC(=O)c1ccccc1 ZINC000000404439 15/00/56/168150056 YRNDGUSDBCARGC-UHFFFAOYSA-N 0 150.177 AD 1.516 0 Anodyne ref ADAARN COCC(=O)c1ccccc1 in-vitro COc1ccc(OC)c(C(=O)O)c1 ZINC000000409169 93/92/91/342939291 NYJBTJMNTNCTCP-UHFFFAOYSA-N -1 182.175 AD 1.402 0 Anodyne ref ADAARM COc1ccc(OC)c(C(=O)[O-])c1 Nc1cccc(F)c1F ZINC000000409208 29/70/11/169297011 YCCQGFYAVUTQFK-UHFFFAOYSA-N 0 129.109 AD 1.547 0 Anodyne ref ADAARN Nc1cccc(F)c1F O=CCc1ccccc1 ZINC000000895323 39/73/10/169397310 DTUQWGWMVIHBKE-UHFFFAOYSA-N 0 120.151 AD 1.428 0 Mild ref ADEARN O=CCc1ccccc1 in-man endogenous c1ccncc1 ZINC000000895354 48/17/40/169481740 JUJWROOIHBZHMG-UHFFFAOYSA-N 0 79.102 AD 1.082 0 Anodyne ref ADAARN c1ccncc1 in-man metabolite Brc1cn[nH]c1 ZINC000000967315 00/89/65/166008965 WVGCPEDBFHEHEZ-UHFFFAOYSA-N 0 146.975 AD 1.172 0 Anodyne ref ADAARN Brc1cn[nH]c1 in-vitro Clc1cn[nH]c1 ZINC000001049758 02/63/61/169026361 BADSZRMNXWLUKO-UHFFFAOYSA-N 0 102.524 AD 1.063 0 Anodyne ref ADAARN Clc1cn[nH]c1 in-vitro Oc1ccc(C(F)(F)F)nc1 ZINC000001529156 94/61/82/342946182 VFOBDHYPESAMAF-UHFFFAOYSA-N -1 163.098 AD 1.806 3 Anodyne high ADAAHM [O-]c1ccc(C(F)(F)F)nc1 Oc1ccc(C(F)(F)F)nc1 ZINC000001529156 94/61/81/342946181 VFOBDHYPESAMAF-UHFFFAOYSA-N -1 163.098 AD 1.806 0 Anodyne ref ADAARM Oc1ccc(C(F)(F)F)nc1 O=C(O)CCCCCCC(=O)O ZINC000001531046 33/76/36/169337636 TYFQFVWCELRYAO-UHFFFAOYSA-N -2 174.196 AD 1.496 0 Anodyne ref ADAARL O=C([O-])CCCCCCC(=O)[O-] in-man endogenous CCC/C=C/C=O ZINC000001531148 20/65/86/171206586 MBDOYVRWFFCFHM-SNAWJCMRSA-N 0 98.145 AD 1.542 0 Reactive ref ADGARN CCC/C=C/C=O in-man endogenous O=C1Nc2c(Cl)cccc2C1=O ZINC000001593654 38/93/00/169389300 MPLXQMMMGDYXIT-UHFFFAOYSA-N -1 181.578 AD 1.475 3 Anodyne high ADAAHM O=C1[N-]c2c(Cl)cccc2C1=O in-vivo O=C1Nc2c(Cl)cccc2C1=O ZINC000001593654 38/92/98/169389298 MPLXQMMMGDYXIT-UHFFFAOYSA-N 0 181.578 AD 1.475 0 Anodyne ref ADAARN O=C1Nc2c(Cl)cccc2C1=O in-vivo Clc1cc(Cl)ncn1 ZINC000001670096 02/11/62/169021162 XJPZKYIHCLDXST-UHFFFAOYSA-N 0 148.98 AD 1.783 0 Anodyne ref ADAARN Clc1cc(Cl)ncn1 in-vitro NC1Cc2ccccc2C1 ZINC000001680937 17/33/92/169173392 LMHHFZAXSANGGM-UHFFFAOYSA-N 1 133.194 AD 1.113 0 Anodyne ref ADAARO [NH3+]C1Cc2ccccc2C1 in-vitro COc1nc(Cl)nc(Cl)n1 ZINC000001682031 28/46/49/168284649 JKAPWXKZLYJQJJ-UHFFFAOYSA-N 0 179.994 AD 1.187 0 Anodyne ref ADAARN COc1nc(Cl)nc(Cl)n1 COC(=O)c1cccc(Cl)n1 ZINC000001682743 13/33/66/168133366 TWUXBVMXSBEKHA-UHFFFAOYSA-N 0 171.583 AD 1.522 0 Anodyne ref ADAARN COC(=O)c1cccc(Cl)n1 COC(=O)[C@@H]1O[C@@H]1c1ccccc1 ZINC000001684700 11/39/16/168113916 HAFFKTJSQPQAPC-RKDXNWHRSA-N 0 178.187 AD 1.299 0 Anodyne ref ADAARN COC(=O)[C@@H]1O[C@@H]1c1ccccc1 COC(=O)[C@H]1O[C@@H]1c1ccccc1 ZINC000001684701 12/39/34/168123934 HAFFKTJSQPQAPC-BDAKNGLRSA-N 0 178.187 AD 1.299 0 Anodyne ref ADAARN COC(=O)[C@H]1O[C@@H]1c1ccccc1 COC(=O)[C@@H]1O[C@H]1c1ccccc1 ZINC000001684702 11/32/40/168113240 HAFFKTJSQPQAPC-DTWKUNHWSA-N 0 178.187 AD 1.299 0 Anodyne ref ADAARN COC(=O)[C@@H]1O[C@H]1c1ccccc1 COC(=O)[C@H]1O[C@H]1c1ccccc1 ZINC000001684703 12/37/04/168123704 HAFFKTJSQPQAPC-IUCAKERBSA-N 0 178.187 AD 1.299 0 Anodyne ref ADAARN COC(=O)[C@H]1O[C@H]1c1ccccc1 CN(C)c1ccc(/C=C/C=O)cc1 ZINC000001691033 85/43/09/167854309 RUKJCCIJLIMGEP-ONEGZZNKSA-N 0 175.231 AD 1.965 0 Reactive ref ADGARN CN(C)c1ccc(/C=C/C=O)cc1 in-vitro CCOC(=O)CC(OCC)OCC ZINC000001730613 33/07/49/167330749 SIALOQYKFQEKOG-UHFFFAOYSA-N 0 190.239 AD 1.339 0 Anodyne ref ADAARN CCOC(=O)CC(OCC)OCC CC[N+](C)(CC)CC ZINC000001845416 96/47/73/342964773 SEACXNRNJAXIBM-UHFFFAOYSA-N 1 116.228 AD 1.493 0 Bother ref ADBARO CC[N+](C)(CC)CC c1ccc2c(c1)CC2 ZINC000001845807 47/93/55/169479355 UMIVXZPTRXBADB-UHFFFAOYSA-N 0 104.152 AD 1.785 0 Anodyne ref ADAARN c1ccc2c(c1)CC2 in-vitro biogenic O=C1CCc2cccc(O)c21 ZINC000001847229 37/73/06/169377306 HFMZPBSZKCDKOR-UHFFFAOYSA-N -1 148.161 AD 1.521 3 Anodyne high ADAAHM O=C1CCc2cccc([O-])c21 O=C1CCc2cccc(O)c21 ZINC000001847229 37/73/05/169377305 HFMZPBSZKCDKOR-UHFFFAOYSA-N 0 148.161 AD 1.521 0 Anodyne ref ADAARN O=C1CCc2cccc(O)c21 CC1=CC(=O)CC1 ZINC000002035915 41/17/17/574411717 CHCCBPDEADMNCI-UHFFFAOYSA-N 0 96.129 AD 1.296 0 Mild ref ADEARN CC1=CC(=O)CC1 in-man endogenous c1ccc(COC[C@H]2CO2)cc1 ZINC000002170164 47/53/17/169475317 QNYBOILAKBSWFG-JTQLQIEISA-N 0 164.204 AD 1.602 0 Mild ref ADEARN c1ccc(COC[C@H]2CO2)cc1 COc1cc(O)cc(OC)c1C=O ZINC000002379824 23/68/06/168236806 HZWPJAZIRZFCGX-UHFFFAOYSA-N -1 182.175 AD 1.222 1 Anodyne mid ADAAMM COc1cc([O-])cc(OC)c1C=O COc1cc(O)cc(OC)c1C=O ZINC000002379824 23/68/03/168236803 HZWPJAZIRZFCGX-UHFFFAOYSA-N 0 182.175 AD 1.222 0 Anodyne ref ADAARN COc1cc(O)cc(OC)c1C=O COc1nc(C)ccc1F ZINC000002384013 28/28/62/168282862 DAQMWRIPXIPMAA-UHFFFAOYSA-N 0 141.145 AD 1.538 0 Anodyne ref ADAARN COc1nc(C)ccc1F Cc1cc(C#N)cnc1F ZINC000002384025 97/17/67/342971767 ODAVABJWORVQDH-UHFFFAOYSA-N 0 136.129 AD 1.401 0 Mild ref ADEARN Cc1cc(C#N)cnc1F Cc1cccc2sc(NN)nc12 ZINC000002455643 97/21/90/342972190 DYWNRVWOUASMDT-UHFFFAOYSA-N 0 179.248 AD 1.89 0 Anodyne ref ADAARN Cc1cccc2sc(=NN)[nH]c12 O=C1C[C@H](c2ccc(F)cc2)CN1 ZINC000002479976 38/24/36/169382436 JIQYWLZCHCBUSG-QMMMGPOBSA-N 0 179.194 AD 1.429 0 Anodyne ref ADAARN O=C1C[C@H](c2ccc(F)cc2)CN1 C#Cc1ccncc1 ZINC000002506783 97/30/40/342973040 FDEDJRHULYIJOR-UHFFFAOYSA-N 0 103.124 AD 1.063 0 Mild ref ADEARN C#Cc1ccncc1 COC(=O)c1cccnc1C ZINC000002510152 13/42/66/168134266 KLHWBYHFWALOIJ-UHFFFAOYSA-N 0 151.165 AD 1.177 0 Anodyne ref ADAARN COC(=O)c1cccnc1C in-vitro Nc1ccsc1 ZINC000002510647 30/09/86/169300986 DKGYESBFCGKOJC-UHFFFAOYSA-N 0 99.158 AD 1.33 0 Anodyne ref ADAARN Nc1ccsc1 c1c[nH]c(Cc2ccc[nH]2)c1 ZINC000002519489 00/59/40/171005940 PBTPREHATAFBEN-UHFFFAOYSA-N 0 146.193 AD 1.934 0 Anodyne ref ADAARN c1c[nH]c(Cc2ccc[nH]2)c1 in-vitro Cc1ccnc(F)c1[N+](=O)[O-] ZINC000002526730 00/63/38/171006338 AUHFWLUBEJKXLN-UHFFFAOYSA-N 0 156.116 AD 1.437 0 Bother ref ADBARN Cc1ccnc(F)c1[N+](=O)[O-] O=CCOCc1ccccc1 ZINC000002556950 39/73/82/169397382 NFNOAHXEQXMCGT-UHFFFAOYSA-N 0 150.177 AD 1.402 0 Mild ref ADEARN O=CCOCc1ccccc1 in-vitro O=C(O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000002559546 35/61/56/169356156 VIPUIECMSDQUIK-UHFFFAOYSA-N -1 185.11 AD 1.432 0 Bother ref ADBARM O=C([O-])c1cc(F)cc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(F)c1F ZINC000002565580 31/23/77/351312377 IXIJRPBFPLESEI-UHFFFAOYSA-N 0 159.091 AD 1.873 0 Bother ref ADBARN O=[N+]([O-])c1cccc(F)c1F N#CCC(=O)c1ccc(F)cc1 ZINC000002566993 00/76/49/171007649 LOJBBLDAJBJVBZ-UHFFFAOYSA-N -1 163.151 AD 1.922 3 Mild high ADEAHM N#CC=C([O-])c1ccc(F)cc1 N#CCC(=O)c1ccc(F)cc1 ZINC000002566993 00/76/46/171007646 LOJBBLDAJBJVBZ-UHFFFAOYSA-N 0 163.151 AD 1.922 0 Mild ref ADEARN N#CCC(=O)c1ccc(F)cc1 COc1cccc2c1CC[C@H](N)C2 ZINC000002567332 27/38/98/168273898 SIHPGAYIYYGOIP-VIFPVBQESA-N 1 177.247 AD 1.511 0 Anodyne ref ADAARO COc1cccc2c1CC[C@H]([NH3+])C2 COc1cccc2c1CC[C@@H](N)C2 ZINC000002567333 27/44/49/168274449 SIHPGAYIYYGOIP-SECBINFHSA-N 1 177.247 AD 1.511 0 Anodyne ref ADAARO COc1cccc2c1CC[C@@H]([NH3+])C2 Cc1c(C(=O)O)cccc1[N+](=O)[O-] ZINC000002567944 97/76/45/342977645 YPQAFWHSMWWPLX-UHFFFAOYSA-N -1 181.147 AD 1.601 0 Bother ref ADBARM Cc1c(C(=O)[O-])cccc1[N+](=O)[O-] COc1cccc(C(=O)O)c1C ZINC000002572321 26/76/07/168267607 JPCISVSOTKMFPG-UHFFFAOYSA-N -1 166.176 AD 1.702 0 Anodyne ref ADAARM COc1cccc(C(=O)[O-])c1C