O=C(O)c1ccc(COc2ccccc2)o1 ZINC000000043875 67/13/58/342671358 KPSLIMYRDNBEGK-UHFFFAOYSA-N -1 218.208 BF 2.557 0 Anodyne ref BFAARM O=C([O-])c1ccc(COc2ccccc2)o1 CCOc1ccc(-c2c[nH]c(=S)nc2N)cc1 ZINC000000051974 10/15/93/344101593 CYNOTKORQCOUKC-UHFFFAOYSA-N 0 247.323 BF 2.787 0 Anodyne ref BFAARN CCOc1ccc(-c2c[nH]c(=S)nc2N)cc1 CCOc1ccc(C(C)=O)cc1OCC ZINC000000086210 53/95/27/170539527 GYFUKZCPECCHTB-UHFFFAOYSA-N 0 208.257 BF 2.687 0 Anodyne ref BFAARN CCOc1ccc(C(C)=O)cc1OCC Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000091115 68/01/84/181680184 HPDFKXPVMXSXGE-UHFFFAOYSA-N 0 230.233 BF 2.888 0 Anodyne ref BFAARN Nc1cc(C(F)(F)F)ccc1N1CCCC1 O=C(O)C1(c2ccc(F)cc2)CCCC1 ZINC000000155787 42/50/62/182425062 VVMRZYODYMBLRJ-UHFFFAOYSA-N -1 208.232 BF 2.722 0 Anodyne ref BFAARM O=C([O-])C1(c2ccc(F)cc2)CCCC1 CCOC(=O)c1[nH]c(C)c(Br)c1C ZINC000000158979 28/63/87/170286387 POLBZQUAKJYNIF-UHFFFAOYSA-N 0 246.104 BF 2.571 0 Anodyne ref BFAARN CCOC(=O)c1[nH]c(C)c(Br)c1C O=C(O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000000161939 56/05/25/182560525 ZGSMHACHDULBBY-UHFFFAOYSA-N -1 223.209 BF 2.508 0 Bother ref BFBARM O=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 O=c1c(O)c(-c2ccccc2)[nH]c2ccccc12 ZINC000000169259 67/90/13/342679013 CVNJPJCBBHOAGM-UHFFFAOYSA-N 0 237.258 BF 2.901 0 Anodyne ref BFAARN O=c1c(O)c(-c2ccccc2)[nH]c2ccccc12 Cc1[nH]c2ccccc2c1/C=C/[N+](=O)[O-] ZINC000000205451 51/39/87/177513987 DTSVTKXSWKXFDC-VOTSOKGWSA-N 0 202.213 BF 2.724 0 Bother ref BFBARN Cc1[nH]c2ccccc2c1/C=C/[N+](=O)[O-] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O ZINC000000368661 33/11/50/180331150 UTAROPFLQDDMNS-UHFFFAOYSA-N -1 236.658 BF 2.532 0 Anodyne ref BFAARM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[O-] CC(C)c1cc(C(=O)O)n(-c2ccccc2)n1 ZINC000000380536 68/54/40/342685440 DMPWMPQUUGGLKC-UHFFFAOYSA-N -1 230.267 BF 2.694 0 Anodyne ref BFAARM CC(C)c1cc(C(=O)[O-])n(-c2ccccc2)n1 CCn1c(-c2ccccc2OC)n[nH]c1=S ZINC000001300047 13/04/22/172130422 KYWIYTQTBIVIRN-UHFFFAOYSA-N -1 235.312 BF 2.636 1 Anodyne mid BFAAMM CCn1c(-c2ccccc2OC)n[n-]c1=S CCn1c(-c2ccccc2OC)n[nH]c1=S ZINC000001300047 13/04/21/172130421 KYWIYTQTBIVIRN-UHFFFAOYSA-N 0 235.312 BF 2.636 0 Anodyne ref BFAARN CCn1c(-c2ccccc2OC)n[nH]c1=S Clc1ncc(Br)c(Cl)n1 ZINC000001559999 60/14/91/180601491 SIKXIUWKPGWBBF-UHFFFAOYSA-N 0 227.876 BF 2.546 0 Anodyne ref BFAARN Clc1ncc(Br)c(Cl)n1 in-vitro O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 ZINC000001595220 98/43/01/356984301 FIXNUWGGLHPMGU-UHFFFAOYSA-N 0 244.206 BF 2.755 0 Bother ref BFBARN O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 O=C(O)c1cc(/C=C/c2ccccc2)on1 ZINC000001694646 81/22/89/345812289 CEAMVSIYTWUNCQ-VOTSOKGWSA-N -1 215.208 BF 2.543 0 Anodyne ref BFABRM O=C([O-])c1cc(/C=C/c2ccccc2)on1 COc1ccc(OCc2ccc(C(=O)O)o2)cc1 ZINC000002521392 96/80/36/383968036 HDFIQJWOUCMCRF-UHFFFAOYSA-N -1 248.234 BF 2.565 0 Anodyne ref BFAARM COc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 CC(C)(C)c1cc(N)n(-c2ccc(F)cc2)n1 ZINC000002527280 10/10/35/188101035 BYZGQEFEOZXWRO-UHFFFAOYSA-N 0 233.29 BF 2.891 0 Anodyne ref BFAARN CC(C)(C)c1cc(N)n(-c2ccc(F)cc2)n1 Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000002577942 72/52/29/342725229 ATRBJXZCQKLIBW-UHFFFAOYSA-N 0 248.307 BF 2.554 0 Anodyne ref BFAARN Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 O=C(O)c1cc(F)c(F)c(C(F)(F)F)c1F ZINC000002585503 55/55/69/182555569 SUUYTEUAWNNSEE-UHFFFAOYSA-N -1 244.09 BF 2.821 0 Anodyne ref BFABRM O=C([O-])c1cc(F)c(F)c(C(F)(F)F)c1F CCOC(=O)c1oc2ccc(OC)cc2c1C ZINC000003165874 31/02/00/170310200 DAETWRKPSJXAJB-UHFFFAOYSA-N 0 234.251 BF 2.927 0 Anodyne ref BFAARN CCOC(=O)c1oc2ccc(OC)cc2c1C CC(C)c1cc(C(=O)O)c2cnn(C(C)C)c2n1 ZINC000003349688 56/78/20/167567820 DMECABOZAOLLJG-UHFFFAOYSA-N -1 247.298 BF 2.834 0 Anodyne ref BFAARM CC(C)c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 CC(C)n1ncc2c(C(=O)O)cc(C3CC3)nc21 ZINC000003407206 73/31/60/342733160 YZDILIKIHKVAHO-UHFFFAOYSA-N -1 245.282 BF 2.588 0 Anodyne ref BFAARM CC(C)n1ncc2c(C(=O)[O-])cc(C3CC3)nc21 Nc1ccc(Sc2ccncc2)c(F)c1 ZINC000003866600 38/12/05/352381205 HLMXEPKYQORYHX-UHFFFAOYSA-N 0 220.272 BF 2.954 0 Anodyne ref BFABRN Nc1ccc(Sc2ccncc2)c(F)c1 Cc1ccc2c(c1)cc(C=O)c(=O)n2CC(C)C ZINC000003882763 95/93/44/178959344 BQPQJZHXWMLMKZ-UHFFFAOYSA-N 0 243.306 BF 2.778 0 Anodyne ref BFAARN Cc1ccc2c(c1)cc(C=O)c(=O)n2CC(C)C c1ccc2sc(C3CCNCC3)nc2c1 ZINC000003883929 03/13/24/384031324 CYASANLJWAJEPW-UHFFFAOYSA-N 1 218.325 BF 2.763 0 Anodyne ref BFAARO c1ccc2sc(C3CC[NH2+]CC3)nc2c1 Cc1noc(C)c1COc1ccc(C=O)cc1 ZINC000004205185 47/52/16/180475216 LMLHECCOGOQRMS-UHFFFAOYSA-N 0 231.251 BF 2.683 0 Anodyne ref BFAARN Cc1noc(C)c1COc1ccc(C=O)cc1 Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC000004243147 74/53/91/342745391 BTNPJMNKYNWUPD-UHFFFAOYSA-N 0 241.269 BF 2.806 0 Anodyne ref BFAARN Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1 ZINC000004243161 18/07/15/372180715 ALJFYWSGNLOTKI-UHFFFAOYSA-N 0 240.31 BF 2.624 0 Mild ref BFEARN CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1 Brc1ccc2c(c1)OCCCO2 ZINC000004277274 09/90/20/166099020 AZCHNKNSOZJHSH-UHFFFAOYSA-N 0 229.073 BF 2.61 0 Anodyne ref BFAARN Brc1ccc2c(c1)OCCCO2 O=[N+]([O-])c1cccc2c(Cl)nccc12 ZINC000006567593 12/08/59/360120859 ABMIIJPKPFSMLK-UHFFFAOYSA-N 0 208.604 BF 2.796 0 Bother ref BFBARN O=[N+]([O-])c1cccc2c(Cl)nccc12 O=c1[nH]c2ccccc2nc1Cc1ccccc1 ZINC000008619751 81/82/35/591818235 XEVRCXXOIPCZGJ-UHFFFAOYSA-N 0 236.274 BF 2.514 0 Anodyne ref BFAARN O=c1[nH]c2ccccc2nc1Cc1ccccc1 CC(=O)c1ccc(Oc2ccc(N)cn2)cc1 ZINC000008764114 45/77/45/356457745 ROOGIQFYOPXDIR-UHFFFAOYSA-N 0 228.251 BF 2.659 0 Clean ref BFCBRN CC(=O)c1ccc(Oc2ccc(N)cn2)cc1 Nc1ccc(Sc2ccncc2)cc1 ZINC000008764116 80/45/53/342804553 DYOBZIUDPDIPKN-UHFFFAOYSA-N 0 202.282 BF 2.815 0 Anodyne ref BFAARN Nc1ccc(Sc2ccncc2)cc1 Nc1ccc(OCc2ccncc2)c(Cl)c1 ZINC000008764129 72/29/88/181722988 QSCHEVFABWWQEU-UHFFFAOYSA-N 0 234.686 BF 2.896 0 Anodyne ref BFABRN Nc1ccc(OCc2ccncc2)c(Cl)c1 COc1ccc(CC/C=C2/CCOC2=O)cc1 ZINC000008764164 36/70/04/370367004 BVTVMUSJLHVBMI-QCDXTXTGSA-N 0 232.279 BF 2.501 0 Anodyne ref BFABRN COc1ccc(CC/C=C2/CCOC2=O)cc1 O=C(O)[C@@H](c1ccc(O)cc1)C1CCCC1 ZINC000008764170 84/16/09/342841609 NFQLQXJPZLMDAX-GFCCVEGCSA-N -1 220.268 BF 2.751 0 Anodyne ref BFABRM O=C([O-])[C@@H](c1ccc(O)cc1)C1CCCC1 COC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000009552119 43/82/73/388438273 NFVUZOSPLNRNFF-UHFFFAOYSA-N 0 203.241 BF 2.571 0 Anodyne ref BFAARN COC(=O)c1ccc2[nH]c(C)c(C)c2c1 O=C(O)[C@H](c1ccc(O)cc1)C1CCCC1 ZINC000011919369 76/90/78/355769078 NFQLQXJPZLMDAX-LBPRGKRZSA-N -1 220.268 BF 2.751 0 Anodyne ref BFABRM O=C([O-])[C@H](c1ccc(O)cc1)C1CCCC1 Nc1nc(Cl)cc(-c2ccc(F)cc2)n1 ZINC000011919372 84/45/80/342844580 ASTAWZNNWSUZRL-UHFFFAOYSA-N 0 223.638 BF 2.518 0 Anodyne ref BFABRN Nc1nc(Cl)cc(-c2ccc(F)cc2)n1 COc1cccc(-n2nc(C(C)(C)C)cc2N)c1 ZINC000011919422 23/93/35/175239335 TZYUZDSVTMPVIW-UHFFFAOYSA-N 0 245.326 BF 2.761 0 Anodyne ref BFAARN COc1cccc(-n2nc(C(C)(C)C)cc2N)c1 Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000011919429 84/46/55/342844655 XCAPJQSICQSUJP-UHFFFAOYSA-N 0 234.686 BF 2.896 0 Anodyne ref BFAARN Nc1ccc(OCc2ccccn2)c(Cl)c1 Clc1nnc(Cl)c2sccc12 ZINC000011919435 60/41/32/180604132 YGYFCYSNQMVWKS-UHFFFAOYSA-N 0 205.069 BF 2.998 0 Anodyne ref BFAARN Clc1nnc(Cl)c2sccc12 N#CCC(=O)c1ccc(Br)cc1F ZINC000011919437 03/44/05/181034405 JYQGDFCINOSMOC-UHFFFAOYSA-N -1 242.047 BF 2.685 1 Mild mid BFEAMM N#CC=C([O-])c1ccc(Br)cc1F N#CCC(=O)c1ccc(Br)cc1F ZINC000011919437 03/44/04/181034404 JYQGDFCINOSMOC-UHFFFAOYSA-N 0 242.047 BF 2.685 0 Mild ref BFEARN N#CCC(=O)c1ccc(Br)cc1F Cc1cc(Oc2ccc(N)cc2)ccn1 ZINC000011919446 21/40/89/178214089 FUTUMJDCMILZFM-UHFFFAOYSA-N 1 200.241 BF 2.765 2 Clean low BFCALO Cc1cc(Oc2ccc(N)cc2)cc[nH+]1 Cc1cc(Oc2ccc(N)cc2)ccn1 ZINC000011919446 21/40/87/178214087 FUTUMJDCMILZFM-UHFFFAOYSA-N 0 200.241 BF 2.765 0 Clean ref BFCARN Cc1cc(Oc2ccc(N)cc2)ccn1 O=C1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000012324002 84/92/42/342849242 AIBOXMAFFRVADJ-UHFFFAOYSA-N 0 212.252 BF 2.596 1 Anodyne mid BFAAMN O=C1CCCc2n[nH]c(-c3ccccc3)c21 O=C1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000012324002 84/92/41/342849241 AIBOXMAFFRVADJ-UHFFFAOYSA-N 0 212.252 BF 2.596 0 Anodyne ref BFAARN O=C1CCCc2[nH]nc(-c3ccccc3)c21 Cc1cc(C(=O)O)c2cnn(C3CCCC3)c2n1 ZINC000012357797 31/46/23/384314623 GARVQEXMFKOXRF-UHFFFAOYSA-N -1 245.282 BF 2.553 0 Anodyne ref BFAARM Cc1cc(C(=O)[O-])c2cnn(C3CCCC3)c2n1 CCN(CC)[C@H](CN)c1ccccc1Cl ZINC000019361928 51/57/10/384515710 HBCFIRRZLOLLOX-GFCCVEGCSA-N 0 226.751 BF 2.682 3 Anodyne high BFAAHN CCN(CC)[C@H](CN)c1ccccc1Cl CCN(CC)[C@H](CN)c1ccccc1Cl ZINC000019361928 51/57/01/384515701 HBCFIRRZLOLLOX-GFCCVEGCSA-N 1 226.751 BF 2.682 0 Anodyne ref BFAARO CCN(CC)[C@H](C[NH3+])c1ccccc1Cl CCN(CC)[C@@H](CN)c1ccccc1Cl ZINC000019361929 79/66/86/169796686 HBCFIRRZLOLLOX-LBPRGKRZSA-N 0 226.751 BF 2.682 3 Anodyne high BFAAHN CCN(CC)[C@@H](CN)c1ccccc1Cl CCN(CC)[C@@H](CN)c1ccccc1Cl ZINC000019361929 79/66/85/169796685 HBCFIRRZLOLLOX-LBPRGKRZSA-N 1 226.751 BF 2.682 0 Anodyne ref BFAARO CCN(CC)[C@@H](C[NH3+])c1ccccc1Cl O=C(O)c1[nH]c2ccc(F)cc2c1Cl ZINC000019770062 53/77/99/384537799 XJYRDCVQRZSDJH-UHFFFAOYSA-N -1 213.595 BF 2.659 0 Anodyne ref BFAARM O=C([O-])c1[nH]c2ccc(F)cc2c1Cl Cc1ccc2[nH]c(C(=O)O)c(Cl)c2c1 ZINC000019770075 28/15/34/188281534 AVCWHEXQDFHGOB-UHFFFAOYSA-N -1 209.632 BF 2.828 0 Anodyne ref BFAARM Cc1ccc2[nH]c(C(=O)[O-])c(Cl)c2c1 Nc1ccc(Br)c2ncccc12 ZINC000019772628 69/87/28/181698728 UNFYSPONYGTMNH-UHFFFAOYSA-N 0 223.073 BF 2.58 0 Anodyne ref BFAARN Nc1ccc(Br)c2ncccc12 O=C(O)c1ccc2cc(Cl)ccc2n1 ZINC000020272701 97/92/96/342979296 UKMWQYNJAVNCOZ-UHFFFAOYSA-N -1 207.616 BF 2.586 0 Anodyne ref BFAARM O=C([O-])c1ccc2cc(Cl)ccc2n1 O=[N+]([O-])c1ccc2nc(Cl)ccc2c1 ZINC000020285820 25/94/75/371259475 FQYXTVZGTFWRGD-UHFFFAOYSA-N 0 208.604 BF 2.796 0 Bother ref BFBARN O=[N+]([O-])c1ccc2nc(Cl)ccc2c1 Cc1cc(Cl)c(Br)cn1 ZINC000021982018 05/98/63/178059863 HQIJNBFVJKFOAS-UHFFFAOYSA-N 0 206.47 BF 2.806 0 Anodyne ref BFAARN Cc1cc(Cl)c(Br)cn1 O=C(O)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC000021984719 03/21/14/343032114 ZGQQEHVULTVXQD-UHFFFAOYSA-N -1 243.049 BF 2.635 0 Anodyne ref BFAARM O=C([O-])c1ccc2nc(Cl)c(Cl)nc2c1 CC(C)c1noc(-c2ccccc2O)n1 ZINC000022120029 14/70/17/363147017 OETPNMWGDJOKMW-UHFFFAOYSA-N -1 204.229 BF 2.566 3 Anodyne high BFABHM CC(C)c1noc(-c2ccccc2[O-])n1 CC(C)c1noc(-c2ccccc2O)n1 ZINC000022120029 14/70/08/363147008 OETPNMWGDJOKMW-UHFFFAOYSA-N 0 204.229 BF 2.566 0 Anodyne ref BFABRN CC(C)c1noc(-c2ccccc2O)n1 CC(C)c1noc(-c2cccc(O)c2)n1 ZINC000022120103 04/04/13/343040413 RXMHZMMNRISLGD-UHFFFAOYSA-N 0 204.229 BF 2.566 0 Anodyne ref BFAARN CC(C)c1noc(-c2cccc(O)c2)n1 O=c1ccc2cccc(C(F)(F)F)c2[nH]1 ZINC000026474687 00/13/47/183001347 SLXMBAQEDCJVIJ-UHFFFAOYSA-N 0 213.158 BF 2.547 0 Anodyne ref BFABRN O=c1ccc2cccc(C(F)(F)F)c2[nH]1 O=c1ccc2ccc(C(F)(F)F)cc2[nH]1 ZINC000026474765 00/12/08/183001208 STHFBPRDYLWJGX-UHFFFAOYSA-N 0 213.158 BF 2.547 0 Anodyne ref BFABRN O=c1ccc2ccc(C(F)(F)F)cc2[nH]1 O=C(O)c1ccnc2cc(C(F)(F)F)ccc12 ZINC000026475311 14/58/67/363145867 QQKDNYDQVWGDOA-UHFFFAOYSA-N -1 241.168 BF 2.952 0 Anodyne ref BFABRM O=C([O-])c1ccnc2cc(C(F)(F)F)ccc12 O=C(O)c1cnc2c(C(F)(F)F)cccc2c1 ZINC000026506795 10/60/24/343106024 SFGJRDPCPWCNMJ-UHFFFAOYSA-N -1 241.168 BF 2.952 0 Anodyne ref BFAARM O=C([O-])c1cnc2c(C(F)(F)F)cccc2c1 Nc1nccc2c(Br)cccc12 ZINC000026507160 87/75/58/384877558 ATENCABMFYJWGZ-UHFFFAOYSA-N 0 223.073 BF 2.58 0 Anodyne ref BFAARN Nc1nccc2c(Br)cccc12 O=C(O)c1cccc2nc(Cl)ccc12 ZINC000026507193 10/59/99/343105999 PIDMGSRYEKDYOU-UHFFFAOYSA-N -1 207.616 BF 2.586 0 Anodyne ref BFAARM O=C([O-])c1cccc2nc(Cl)ccc12 O=C(O)c1ccc2ccc(Cl)nc2c1 ZINC000026507221 57/32/14/182573214 JMYHAUFFRDHDQS-UHFFFAOYSA-N -1 207.616 BF 2.586 0 Anodyne ref BFAARM O=C([O-])c1ccc2ccc(Cl)nc2c1 O=C(O)c1cccc2ccc(Cl)nc12 ZINC000026507239 15/93/94/357159394 MDJCCDPEWOWYIJ-UHFFFAOYSA-N -1 207.616 BF 2.586 0 Anodyne ref BFAARM O=C([O-])c1cccc2ccc(Cl)nc12 Clc1nc(Cl)c2sccc2n1 ZINC000030678396 11/03/47/188110347 AQECFYPZMBRCIA-UHFFFAOYSA-N 0 205.069 BF 2.998 0 Anodyne ref BFAARN Clc1nc(Cl)c2sccc2n1 COc1ccc([C@@H](CN)N2CCCCCC2)cc1 ZINC000032522360 17/83/22/175178322 CPASXXYSPZFNNT-OAHLLOKOSA-N 2 248.37 BF 2.571 2 Anodyne low BFAALP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 COc1ccc([C@@H](CN)N2CCCCCC2)cc1 ZINC000032522360 17/83/21/175178321 CPASXXYSPZFNNT-OAHLLOKOSA-N 1 248.37 BF 2.571 1 Anodyne mid BFAAMO COc1ccc([C@@H](CN)[NH+]2CCCCCC2)cc1 COc1ccc([C@@H](CN)N2CCCCCC2)cc1 ZINC000032522360 17/83/20/175178320 CPASXXYSPZFNNT-OAHLLOKOSA-N 1 248.37 BF 2.571 0 Anodyne ref BFAARO COc1ccc([C@@H](C[NH3+])N2CCCCCC2)cc1 COc1ccc([C@H](CN)N2CCCCCC2)cc1 ZINC000032522361 28/43/82/188284382 CPASXXYSPZFNNT-HNNXBMFYSA-N 2 248.37 BF 2.571 2 Anodyne low BFAALP COc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 COc1ccc([C@H](CN)N2CCCCCC2)cc1 ZINC000032522361 28/43/81/188284381 CPASXXYSPZFNNT-HNNXBMFYSA-N 1 248.37 BF 2.571 1 Anodyne mid BFAAMO COc1ccc([C@H](CN)[NH+]2CCCCCC2)cc1 COc1ccc([C@H](CN)N2CCCCCC2)cc1 ZINC000032522361 28/43/78/188284378 CPASXXYSPZFNNT-HNNXBMFYSA-N 1 248.37 BF 2.571 0 Anodyne ref BFAARO COc1ccc([C@H](C[NH3+])N2CCCCCC2)cc1 CC(C)c1noc(-c2ccc(O)cc2)n1 ZINC000036047764 30/72/61/343307261 JIAKSCRPRKEHHG-UHFFFAOYSA-N -1 204.229 BF 2.566 3 Anodyne high BFAAHM CC(C)c1noc(-c2ccc([O-])cc2)n1 CC(C)c1noc(-c2ccc(O)cc2)n1 ZINC000036047764 30/72/59/343307259 JIAKSCRPRKEHHG-UHFFFAOYSA-N 0 204.229 BF 2.566 0 Anodyne ref BFAARN CC(C)c1noc(-c2ccc(O)cc2)n1 COc1ccc(Br)cc1[C@H](C)O ZINC000036162369 05/14/01/175051401 WNRYFLFXINLLKQ-LURJTMIESA-N 0 231.089 BF 2.511 0 Anodyne ref BFABRN COc1ccc(Br)cc1[C@H](C)O COc1ccc(Br)cc1[C@@H](C)O ZINC000036162372 05/12/59/175051259 WNRYFLFXINLLKQ-ZCFIWIBFSA-N 0 231.089 BF 2.511 0 Anodyne ref BFABRN COc1ccc(Br)cc1[C@@H](C)O Oc1cccc(-c2nc(-c3cccnc3)no2)c1 ZINC000040542118 28/77/35/183287735 RKRJROVDUOPCQO-UHFFFAOYSA-N 0 239.234 BF 2.504 0 Anodyne ref BFABRN Oc1cccc(-c2nc(-c3cccnc3)no2)c1 Oc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000040542124 26/40/76/183264076 PAJAOZOOMHXENT-UHFFFAOYSA-N -1 239.234 BF 2.504 3 Anodyne high BFABHM [O-]c1ccc(-c2nc(-c3ccncc3)no2)cc1 Oc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000040542124 26/40/72/183264072 PAJAOZOOMHXENT-UHFFFAOYSA-N 0 239.234 BF 2.504 0 Anodyne ref BFABRN Oc1ccc(-c2nc(-c3ccncc3)no2)cc1 Cc1cc(Br)c2nc[nH]c2c1 ZINC000062152742 73/43/04/343734304 QIFKZWBUTNDYFB-UHFFFAOYSA-N 0 211.062 BF 2.634 1 Anodyne mid BFAAMN Cc1cc(Br)c2[nH]cnc2c1 Cc1cc(Br)c2nc[nH]c2c1 ZINC000062152742 73/43/02/343734302 QIFKZWBUTNDYFB-UHFFFAOYSA-N 0 211.062 BF 2.634 0 Anodyne ref BFAARN Cc1cc(Br)c2nc[nH]c2c1 O=C(O)c1cc(/C=C/c2ccccc2F)on1 ZINC000064875979 49/60/05/384496005 IFQVMJUQFKSKHB-AATRIKPKSA-N -1 233.198 BF 2.682 0 Anodyne ref BFABRM O=C([O-])c1cc(/C=C/c2ccccc2F)on1 Cc1ccccc1/C=C/c1cc(C(=O)O)no1 ZINC000064875981 24/49/33/179244933 SPKPNQBQUSJUCK-VOTSOKGWSA-N -1 229.235 BF 2.852 0 Anodyne ref BFABRM Cc1ccccc1/C=C/c1cc(C(=O)[O-])no1 Cc1ccc(/C=C/c2cc(C(=O)O)no2)cc1 ZINC000064875982 78/59/70/187785970 HSMOASROUCWKLX-VOTSOKGWSA-N -1 229.235 BF 2.852 0 Anodyne ref BFABRM Cc1ccc(/C=C/c2cc(C(=O)[O-])no2)cc1 COc1ccc(/C=C/c2cc(C(=O)O)no2)cc1 ZINC000064875986 04/79/66/175047966 AIDGANYIVOYBHM-QPJJXVBHSA-N -1 245.234 BF 2.552 0 Anodyne ref BFABRM COc1ccc(/C=C/c2cc(C(=O)[O-])no2)cc1 O=C(O)c1cc(/C=C/c2cccs2)on1 ZINC000064875998 49/60/61/384496061 HDFUAAAKPVGPBC-ONEGZZNKSA-N -1 221.237 BF 2.605 0 Anodyne ref BFABRM O=C([O-])c1cc(/C=C/c2cccs2)on1 CCOc1ccc(-c2cc(C(=O)O)no2)cc1C ZINC000071561519 53/12/20/170531220 MYCFFCBKENCDIK-UHFFFAOYSA-N -1 247.25 BF 2.747 0 Anodyne ref BFABRM CCOc1ccc(-c2cc(C(=O)[O-])no2)cc1C Nc1cc(C(F)(F)F)c2ncccc2c1 ZINC000085221100 92/88/11/384928811 OWGZHUXKLHEFJN-UHFFFAOYSA-N 0 212.174 BF 2.836 0 Anodyne ref BFABRN Nc1cc(C(F)(F)F)c2ncccc2c1 Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000100004939 25/63/78/183256378 CGMKIOXMUMZDAP-UHFFFAOYSA-N -1 228.173 BF 2.597 0 Anodyne ref BFAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccccc1 CCN(CC)C(=N[Si](C)(C)C)N(CC)CC ZINC000196519712 81/16/34/345811634 ICZHKSUFTDGRRY-UHFFFAOYSA-N 1 243.471 BF 2.861 0 Mild ref BFEBRO CCN(CC)C(=[NH+][Si](C)(C)C)N(CC)CC Cc1ccc(Br)c2[nH]cnc12 ZINC000220152640 98/36/63/525983663 LZXRJPYKNKGGTM-UHFFFAOYSA-N 0 211.062 BF 2.634 1 Anodyne mid BFABMN Cc1ccc(Br)c2[nH]cnc12 Cc1ccc(Br)c2[nH]cnc12 ZINC000220152640 98/36/38/525983638 LZXRJPYKNKGGTM-UHFFFAOYSA-N 0 211.062 BF 2.634 0 Anodyne ref BFABRN Cc1ccc(Br)c2nc[nH]c12 Brc1ccc2c(c1)NCC=C2 ZINC000307514717 51/43/20/411514320 RRNOFJVGEVYIOY-UHFFFAOYSA-N 0 210.074 BF 2.888 0 Anodyne ref BFABRN Brc1ccc2c(c1)NCC=C2