Nc1c(-c2ccccc2)nc2ccccn12 ZINC000000032671 67/02/88/342670288 RJGJCHYNEWULMZ-UHFFFAOYSA-N 1 209.252 BF 2.584 1 Anodyne mid BFAAMO Nc1c(-c2ccccc2)[nH+]c2ccccn12 Nc1c(-c2ccccc2)nc2ccccn12 ZINC000000032671 67/02/87/342670287 RJGJCHYNEWULMZ-UHFFFAOYSA-N 0 209.252 BF 2.584 0 Anodyne ref BFAARN Nc1c(-c2ccccc2)nc2ccccn12 Cc1nn(-c2ccccc2)c(Cl)c1C=O ZINC000000035783 33/11/78/180331178 DKZPJLZXLKAMDO-UHFFFAOYSA-N 0 220.659 BF 2.647 0 Anodyne ref BFAARN Cc1nn(-c2ccccc2)c(Cl)c1C=O CC(C)(C)OC(=O)Nc1ccccc1N ZINC000000039322 66/99/58/166669958 KCZFBLNQOSFGSH-UHFFFAOYSA-N 0 208.261 BF 2.616 0 Anodyne ref BFAARN CC(C)(C)OC(=O)Nc1ccccc1N in-vitro Oc1cccc(/C=N/c2ccccc2)c1O ZINC000000065271 28/78/18/183287818 IKCNVDHSEBASIB-NTEUORMPSA-N -1 213.236 BF 2.848 3 Mild high BFEAHM [O-]c1cccc(/C=N/c2ccccc2)c1O Oc1cccc(/C=N/c2ccccc2)c1O ZINC000000065271 28/78/16/183287816 IKCNVDHSEBASIB-NTEUORMPSA-N 0 213.236 BF 2.848 0 Mild ref BFEARN Oc1cccc(/C=N/c2ccccc2)c1O Clc1nc(-c2cccs2)ns1 ZINC000000166681 60/12/11/180601211 MRMAZVGSIMWZOZ-UHFFFAOYSA-N 0 202.691 BF 2.92 0 Anodyne ref BFAARN Clc1nc(-c2cccs2)ns1 O=C(O)c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000196419 67/97/50/342679750 BQKXFNQLZLSSEP-UHFFFAOYSA-N -1 238.246 BF 2.928 0 Anodyne ref BFAARM O=C([O-])c1cccc(-c2nc3ccccc3[nH]2)c1 O=C(O)c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000226015 68/06/98/342680698 UMZBLZRCSSUXQR-UHFFFAOYSA-N -1 238.246 BF 2.928 0 Anodyne ref BFAARM O=C([O-])c1ccc(-c2nc3ccccc3[nH]2)cc1 CC(C)(C)c1cc(N)n(-c2ccccc2)n1 ZINC000000252685 80/93/09/322809309 GFWSTBBSSBVVQP-UHFFFAOYSA-N 0 215.3 BF 2.752 0 Anodyne ref BFAARN CC(C)(C)c1cc(N)n(-c2ccccc2)n1 O=Cc1c(-c2ccccc2)nc2ccccn12 ZINC000000337535 85/67/64/383856764 GDQWGRMPXASNTI-UHFFFAOYSA-N 0 222.247 BF 2.814 0 Anodyne ref BFAARN O=Cc1c(-c2ccccc2)nc2ccccn12 CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000000387837 29/03/01/170290301 VGQLKLIHKUWTGS-UHFFFAOYSA-N 0 230.267 BF 2.562 0 Anodyne ref BFAARN CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 O=C(O)c1cc(-c2ccccc2Cl)on1 ZINC000000810961 69/31/28/342693128 ZNPCZHXBSWBBCV-UHFFFAOYSA-N -1 223.615 BF 2.693 0 Anodyne ref BFAARM O=C([O-])c1cc(-c2ccccc2Cl)on1 O=C(O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000000874633 54/96/31/182549631 CRTZVRLESCICCT-UHFFFAOYSA-N -1 223.615 BF 2.693 0 Anodyne ref BFAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)on1 O=C(O)c1cccnc1Nc1ccccc1 ZINC000001394979 58/34/35/182583435 UUMMTMQODCACRH-UHFFFAOYSA-N -1 214.224 BF 2.523 0 Anodyne ref BFAARM O=C([O-])c1cccnc1Nc1ccccc1 O=[N+]([O-])c1ccc(-c2ccc(Cl)nn2)cc1 ZINC000001437380 92/62/98/182926298 QODAYFZQLZHNPW-UHFFFAOYSA-N 0 235.63 BF 2.705 0 Bother ref BFBARN O=[N+]([O-])c1ccc(-c2ccc(Cl)nn2)cc1 C[C@H](CNCc1ccccc1)C(=O)OC(C)(C)C ZINC000001613184 43/49/58/353434958 RFKHZTRHESXVAX-GFCCVEGCSA-N 0 249.354 BF 2.754 3 Anodyne high BFAAHN C[C@H](CNCc1ccccc1)C(=O)OC(C)(C)C C[C@H](CNCc1ccccc1)C(=O)OC(C)(C)C ZINC000001613184 43/49/55/353434955 RFKHZTRHESXVAX-GFCCVEGCSA-N 1 249.354 BF 2.754 0 Anodyne ref BFAARO C[C@H](C[NH2+]Cc1ccccc1)C(=O)OC(C)(C)C Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)o1 ZINC000001635254 31/71/83/178317183 LIARQZAKYQMYJV-UHFFFAOYSA-N 0 241.25 BF 2.887 0 Anodyne ref BFAARN Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)o1 CCCCN(CCCC)CCC(=O)OCC ZINC000001635590 80/70/50/168807050 SVFAGVSFZREYAA-UHFFFAOYSA-N 1 229.364 BF 2.842 0 Anodyne ref BFAARO CCCC[NH+](CCCC)CCC(=O)OCC O=C(O)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000001666719 70/76/30/342707630 NFEVMRNCAGDLBK-ZDUSSCGKSA-N -1 227.263 BF 2.924 0 Anodyne ref BFAARM O=C([O-])[C@@H](Nc1ccccc1)c1ccccc1 NCCc1c(-c2cccnc2)[nH]c2ccccc12 ZINC000001683339 92/39/10/383923910 SZLBNNSKJUHQMT-UHFFFAOYSA-N 1 237.306 BF 2.731 0 Anodyne ref BFAARO [NH3+]CCc1c(-c2cccnc2)[nH]c2ccccc12 O=c1[nH]c(-c2ccc(Cl)cc2)cs1 ZINC000001686315 10/03/05/188100305 XODFWCAVOQHJFC-UHFFFAOYSA-N 0 211.673 BF 2.757 0 Anodyne ref BFAARN O=c1[nH]c(-c2ccc(Cl)cc2)cs1 CCOC(=O)CC(=O)c1c(C)cc(C)cc1C ZINC000001757675 19/70/03/170197003 JKDAOORMLXVMGQ-UHFFFAOYSA-N 0 234.295 BF 2.748 2 Anodyne low BFAALN CCOC(=O)C=C(O)c1c(C)cc(C)cc1C CCOC(=O)CC(=O)c1c(C)cc(C)cc1C ZINC000001757675 19/70/02/170197002 JKDAOORMLXVMGQ-UHFFFAOYSA-N -1 234.295 BF 2.748 0 Anodyne ref BFAARM CCOC(=O)C=C([O-])c1c(C)cc(C)cc1C O=C(O)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002038513 71/51/99/342715199 NFEVMRNCAGDLBK-CYBMUJFWSA-N -1 227.263 BF 2.924 0 Anodyne ref BFAARM O=C([O-])[C@H](Nc1ccccc1)c1ccccc1 CCCCNCc1ccc(OC)c(OC)c1 ZINC000002090470 95/01/57/383950157 DDWWSCZOAULJTF-UHFFFAOYSA-N 1 223.316 BF 2.594 0 Anodyne ref BFAARO CCCC[NH2+]Cc1ccc(OC)c(OC)c1 CC(C)(C)OC(=O)N[C@@H](C#N)c1ccccc1 ZINC000002154128 71/63/27/342716327 UWMFDFGRVUUNOU-NSHDSACASA-N 0 232.283 BF 2.776 0 Mild ref BFEARN CC(C)(C)OC(=O)N[C@@H](C#N)c1ccccc1 CC(C)(C)OC(=O)N[C@H](C#N)c1ccccc1 ZINC000002154129 71/63/36/342716336 UWMFDFGRVUUNOU-LLVKDONJSA-N 0 232.283 BF 2.776 0 Mild ref BFEARN CC(C)(C)OC(=O)N[C@H](C#N)c1ccccc1 CCCNCc1c(F)cccc1Cl ZINC000002169359 26/60/70/169266070 LBJTUTUDKUGWEZ-UHFFFAOYSA-N 0 201.672 BF 2.979 3 Anodyne high BFAAHN CCCNCc1c(F)cccc1Cl CCCNCc1c(F)cccc1Cl ZINC000002169359 26/60/69/169266069 LBJTUTUDKUGWEZ-UHFFFAOYSA-N 1 201.672 BF 2.979 0 Anodyne ref BFAARO CCC[NH2+]Cc1c(F)cccc1Cl CCOC(=O)CC(=O)c1ccc2ccccc2c1 ZINC000002380227 19/72/70/170197270 CMOYIKGRDXXXNU-UHFFFAOYSA-N 0 242.274 BF 2.976 2 Anodyne low BFAALN CCOC(=O)C=C(O)c1ccc2ccccc2c1 CCOC(=O)CC(=O)c1ccc2ccccc2c1 ZINC000002380227 19/72/67/170197267 CMOYIKGRDXXXNU-UHFFFAOYSA-N -1 242.274 BF 2.976 0 Anodyne ref BFAARM CCOC(=O)C=C([O-])c1ccc2ccccc2c1 Brc1cccc(-c2ccn[nH]2)c1 ZINC000002388332 10/08/56/166100856 NVRXIZHZQPRBKL-UHFFFAOYSA-N 0 223.073 BF 2.839 0 Anodyne ref BFAARN Brc1cccc(-c2cc[nH]n2)c1 Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000002388752 71/97/81/342719781 ZKDGSECMKLUWRL-UHFFFAOYSA-N 0 242.109 BF 2.82 0 Anodyne ref BFAARN Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 CC(C)(C)c1cc(N)n(-c2ccccc2F)n1 ZINC000002527264 72/26/98/342722698 SIUZCLHYTJLOSG-UHFFFAOYSA-N 0 233.29 BF 2.891 0 Anodyne ref BFAARN CC(C)(C)c1cc(N)n(-c2ccccc2F)n1 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 CC(C)(C)c1cc(N)n(-c2cccc(F)c2)n1 ZINC000002527283 40/00/53/386400053 IAVMYZXRASMAQF-UHFFFAOYSA-N 0 233.29 BF 2.891 0 Anodyne ref BFAARN CC(C)(C)c1cc(N)n(-c2cccc(F)c2)n1 Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000002534301 72/31/69/342723169 LOKCMEOLWDYGIQ-UHFFFAOYSA-N 0 241.216 BF 2.532 0 Anodyne ref BFAARN Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 Brc1cccc2ccncc12 ZINC000002540586 10/17/62/166101762 DPRIHFQFWWCIGY-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cccc2ccncc12 in-vitro Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000002558391 72/40/19/342724019 HDCJOTJJYUOQLE-UHFFFAOYSA-N 0 242.109 BF 2.82 0 Anodyne ref BFAARN Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 CCOC(=O)CC(=O)c1cccc2ccccc12 ZINC000002575933 19/74/30/170197430 JFWSFANXHXCJOY-UHFFFAOYSA-N 0 242.274 BF 2.976 2 Anodyne low BFAALN CCOC(=O)C=C(O)c1cccc2ccccc12 CCOC(=O)CC(=O)c1cccc2ccccc12 ZINC000002575933 19/74/29/170197429 JFWSFANXHXCJOY-UHFFFAOYSA-N -1 242.274 BF 2.976 0 Anodyne ref BFAARM CCOC(=O)C=C([O-])c1cccc2ccccc12 COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 ZINC000002576790 04/45/16/175044516 BUNGLKKPGWGZDC-UHFFFAOYSA-N 0 245.326 BF 2.761 0 Anodyne ref BFAARN COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1 ZINC000002578487 72/55/75/342725575 ZSNWDVOWQIDLIM-UHFFFAOYSA-N 0 241.216 BF 2.532 0 Anodyne ref BFAARN Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1 CN(C)c1ccc([C@@H]2CCCCCN2)cc1 ZINC000002582646 72/57/66/342725766 BMOCNWFSKKENGB-AWEZNQCLSA-N 1 218.344 BF 2.957 0 Clean ref BFCARO CN(C)c1ccc([C@@H]2CCCCC[NH2+]2)cc1 COc1ccc([C@@H]2CCCCCN2)cc1 ZINC000002582652 18/16/60/175181660 WWJBDSBGLBEFSH-ZDUSSCGKSA-N 1 205.301 BF 2.9 0 Anodyne ref BFAARO COc1ccc([C@@H]2CCCCC[NH2+]2)cc1 O=C(O)c1cc2c(Br)cccc2[nH]1 ZINC000002582709 72/57/20/342725720 SXFVRIRMDXONCT-UHFFFAOYSA-N -1 240.056 BF 2.629 0 Anodyne ref BFAARM O=C([O-])c1cc2c(Br)cccc2[nH]1 O=C(O)c1cc2ccc(Br)cc2[nH]1 ZINC000002582710 72/57/76/342725776 SVBVYRYROZWKNJ-UHFFFAOYSA-N -1 240.056 BF 2.629 0 Anodyne ref BFAARM O=C([O-])c1cc2ccc(Br)cc2[nH]1 in-vitro CC(C)(C)OC(=O)N1CCNc2ccccc2C1 ZINC000002928313 65/08/40/166650840 BVENZEAGNIYZSY-UHFFFAOYSA-N 0 248.326 BF 2.849 0 Anodyne ref BFAARN CC(C)(C)OC(=O)N1CCNc2ccccc2C1 CCCCNCc1ccc(N(C)C)cc1 ZINC000003161315 99/89/27/383998927 DJQVAQHZNGBZGR-UHFFFAOYSA-N 1 206.333 BF 2.642 0 Clean ref BFCARO CCCC[NH2+]Cc1ccc(N(C)C)cc1 Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=O ZINC000003208021 32/83/55/180328355 YVYLXEJFBVNCRQ-UHFFFAOYSA-N 0 238.649 BF 2.786 0 Anodyne ref BFAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=O N#Cc1ccc(-c2cccnc2)nc1Cl ZINC000003209770 09/58/28/181095828 RVBMVHJVENJEOQ-UHFFFAOYSA-N 0 215.643 BF 2.669 0 Mild ref BFEARN N#Cc1ccc(-c2cccnc2)nc1Cl Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC000003716761 45/08/72/386450872 OWEVQLAGEVSZQL-UHFFFAOYSA-N 0 245.229 BF 2.806 0 Anodyne ref BFAARN Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 CN(C)c1ccc([C@H]2CCCCCN2)cc1 ZINC000003734841 02/68/30/384026830 BMOCNWFSKKENGB-CQSZACIVSA-N 1 218.344 BF 2.957 0 Clean ref BFCARO CN(C)c1ccc([C@H]2CCCCC[NH2+]2)cc1 COc1ccccc1[C@H]1CCCCCN1 ZINC000003734850 35/46/94/175354694 QUGWHACTNJAVTB-GFCCVEGCSA-N 1 205.301 BF 2.9 0 Anodyne ref BFAARO COc1ccccc1[C@H]1CCCCC[NH2+]1 COc1ccccc1[C@@H]1CCCCCN1 ZINC000003734851 34/86/29/175348629 QUGWHACTNJAVTB-LBPRGKRZSA-N 1 205.301 BF 2.9 0 Anodyne ref BFAARO COc1ccccc1[C@@H]1CCCCC[NH2+]1 COc1ccc([C@H]2CCCCCN2)cc1 ZINC000003734861 19/45/83/175194583 WWJBDSBGLBEFSH-CYBMUJFWSA-N 1 205.301 BF 2.9 0 Anodyne ref BFAARO COc1ccc([C@H]2CCCCC[NH2+]2)cc1 c1cc2c(cc1[C@H]1CCCCCN1)OCO2 ZINC000003734983 37/16/05/183371605 WYMGDSKJVNFXPB-LLVKDONJSA-N 1 219.284 BF 2.62 0 Anodyne ref BFAARO c1cc2c(cc1[C@H]1CCCCC[NH2+]1)OCO2 c1cc2c(cc1[C@@H]1CCCCCN1)OCO2 ZINC000003734984 37/05/37/183370537 WYMGDSKJVNFXPB-NSHDSACASA-N 1 219.284 BF 2.62 0 Anodyne ref BFAARO c1cc2c(cc1[C@@H]1CCCCC[NH2+]1)OCO2 CC(C)c1ccc2cc(C(=O)O)[nH]c2c1 ZINC000003748675 73/74/24/342737424 DPDMFBGWQRIYBU-UHFFFAOYSA-N -1 203.241 BF 2.99 0 Anodyne ref BFAARM CC(C)c1ccc2cc(C(=O)[O-])[nH]c2c1 N=C(N)SCc1ccc(C(F)(F)F)cc1 ZINC000004013988 19/19/37/181191937 VWGUDKUKGRCKDW-UHFFFAOYSA-N 1 234.246 BF 2.832 0 Anodyne ref BFAARO NC(=[NH2+])SCc1ccc(C(F)(F)F)cc1 CCc1ccc(-c2cc(C(=O)O)no2)cc1 ZINC000004234924 74/48/32/342744832 FNTZJQFGZFDXPX-UHFFFAOYSA-N -1 217.224 BF 2.602 0 Anodyne ref BFAARM CCc1ccc(-c2cc(C(=O)[O-])no2)cc1 O=C(O)c1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000004243810 05/10/92/384051092 HNBAEALJFFNPFK-UHFFFAOYSA-N -1 244.275 BF 2.99 0 Anodyne ref BFAARM O=C([O-])c1ccc2[nH]c(-c3cccs3)nc2c1 O=C(O)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000004244828 74/53/72/342745372 JQMUXXNJOLCBJJ-UHFFFAOYSA-N -1 238.246 BF 2.928 0 Anodyne ref BFAARM O=C([O-])c1cc(-c2ccc3ccccc3c2)[nH]n1 Brc1ccc(-c2cc[nH]n2)cc1 ZINC000004293887 09/60/67/166096067 LXDGTEBHVOKDLE-UHFFFAOYSA-N 0 223.073 BF 2.839 0 Anodyne ref BFAARN Brc1ccc(-c2cc[nH]n2)cc1 N=C(N)SCc1ccc(Br)cc1 ZINC000004642956 19/25/96/181192596 UOSDEUYGDYUEQK-UHFFFAOYSA-N 1 245.145 BF 2.576 0 Anodyne ref BFAARO NC(=[NH2+])SCc1ccc(Br)cc1 in-vivo CON(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000004840266 65/82/49/174658249 XXLVUAPKIAQHFL-UHFFFAOYSA-N 0 221.3 BF 2.618 0 Anodyne ref BFAARN CON(C)C(=O)c1ccc(C(C)(C)C)cc1 CCCCNCc1ccccc1OCC ZINC000004868369 87/05/43/168870543 IWTJLOSDQCEWBZ-UHFFFAOYSA-N 1 207.317 BF 2.975 0 Anodyne ref BFAARO CCCC[NH2+]Cc1ccccc1OCC CC(C)(C)OC(=O)CCNCc1ccccc1 ZINC000005066412 09/73/34/384097334 GUQYIGJNMMWKCS-UHFFFAOYSA-N 0 235.327 BF 2.508 3 Anodyne high BFAAHN CC(C)(C)OC(=O)CCNCc1ccccc1 CC(C)(C)OC(=O)CCNCc1ccccc1 ZINC000005066412 09/73/26/384097326 GUQYIGJNMMWKCS-UHFFFAOYSA-N 1 235.327 BF 2.508 0 Anodyne ref BFAARO CC(C)(C)OC(=O)CC[NH2+]Cc1ccccc1 CC(C)(C)OC(=O)CCNC1CCCCC1 ZINC000005066418 50/62/32/386506232 YHEGEGRJAGMVKA-UHFFFAOYSA-N 1 227.348 BF 2.641 0 Anodyne ref BFAARO CC(C)(C)OC(=O)CC[NH2+]C1CCCCC1 Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000005066521 09/72/07/384097207 IKOYAQXGLSFYSH-UHFFFAOYSA-N 0 245.229 BF 2.806 0 Anodyne ref BFAARN Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 O=C(/C=C/c1ccc2c(c1)OCO2)c1ccco1 ZINC000005101419 83/84/80/181838480 HBXJOSUNFKXJOK-HWKANZROSA-N 0 242.23 BF 2.904 0 Mild ref BFEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccco1 COC(=O)c1cccc(N)c1-c1ccccc1 ZINC000005738273 51/54/67/386515467 OTQJSEQYCUPCLM-UHFFFAOYSA-N 0 227.263 BF 2.722 0 Anodyne ref BFAARN COC(=O)c1cccc(N)c1-c1ccccc1 CC[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000005823175 77/05/77/342770577 LFZQUASVCQIKLJ-LLVKDONJSA-N 1 206.333 BF 2.641 0 Clean ref BFCARO CC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 CC[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000005823234 34/30/69/171343069 LFZQUASVCQIKLJ-NSHDSACASA-N 1 206.333 BF 2.641 0 Clean ref BFCARO CC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 CCOc1ccc(CNCC(C)C)cc1 ZINC000005906466 13/77/02/384137702 ZVBYSABMXRGBPX-UHFFFAOYSA-N 1 207.317 BF 2.831 0 Anodyne ref BFAARO CCOc1ccc(C[NH2+]CC(C)C)cc1 CCOc1ccccc1CNCC(C)C ZINC000005907039 13/81/60/384138160 XOVXKLOUVOQXKK-UHFFFAOYSA-N 1 207.317 BF 2.831 0 Anodyne ref BFAARO CCOc1ccccc1C[NH2+]CC(C)C CC[C@@H](C)NCc1ccc(OC)c(OC)c1 ZINC000005907272 13/84/42/384138442 LOJMAQUUOZIZOY-SNVBAGLBSA-N 1 223.316 BF 2.592 0 Anodyne ref BFAARO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 CCOc1ccc(CN[C@H](C)CC)cc1 ZINC000005907281 13/81/96/384138196 GNIRZOIMFGUMHK-LLVKDONJSA-N 1 207.317 BF 2.973 0 Anodyne ref BFAARO CCOc1ccc(C[NH2+][C@H](C)CC)cc1 CCOc1ccccc1CN[C@H](C)CC ZINC000005907301 13/67/78/384136778 KMGHXUSBVKMPAY-LLVKDONJSA-N 1 207.317 BF 2.973 0 Anodyne ref BFAARO CCOc1ccccc1C[NH2+][C@H](C)CC CC[C@H](C)NCc1ccc(OC)c(OC)c1 ZINC000005907915 34/28/70/171342870 LOJMAQUUOZIZOY-JTQLQIEISA-N 1 223.316 BF 2.592 0 Anodyne ref BFAARO CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 CCOc1ccc(CN[C@@H](C)CC)cc1 ZINC000005907923 54/53/04/170545304 GNIRZOIMFGUMHK-NSHDSACASA-N 1 207.317 BF 2.973 0 Anodyne ref BFAARO CCOc1ccc(C[NH2+][C@@H](C)CC)cc1 CCOc1ccccc1CN[C@@H](C)CC ZINC000005907943 13/83/19/384138319 KMGHXUSBVKMPAY-NSHDSACASA-N 1 207.317 BF 2.973 0 Anodyne ref BFAARO CCOc1ccccc1C[NH2+][C@@H](C)CC CCCNCc1cccc(Br)c1 ZINC000006380489 26/83/90/169268390 NNTZFDZBCNIHRX-UHFFFAOYSA-N 1 228.133 BF 2.949 0 Anodyne ref BFAARO CCC[NH2+]Cc1cccc(Br)c1 CCCNCc1ccc(Br)cc1 ZINC000006430920 26/64/49/169266449 LLWHQBWJJQFTPF-UHFFFAOYSA-N 1 228.133 BF 2.949 0 Anodyne ref BFAARO CCC[NH2+]Cc1ccc(Br)cc1 C[C@@H](CNCc1ccccc1)C(=O)OC(C)(C)C ZINC000006437191 60/16/98/353601698 RFKHZTRHESXVAX-LBPRGKRZSA-N 0 249.354 BF 2.754 3 Anodyne high BFAAHN C[C@@H](CNCc1ccccc1)C(=O)OC(C)(C)C C[C@@H](CNCc1ccccc1)C(=O)OC(C)(C)C ZINC000006437191 60/16/90/353601690 RFKHZTRHESXVAX-LBPRGKRZSA-N 1 249.354 BF 2.754 0 Anodyne ref BFAARO C[C@@H](C[NH2+]Cc1ccccc1)C(=O)OC(C)(C)C CCCCNCc1ccc(OCC)cc1 ZINC000006701505 16/34/91/384163491 UYANRSWQBKYOAH-UHFFFAOYSA-N 1 207.317 BF 2.975 0 Anodyne ref BFAARO CCCC[NH2+]Cc1ccc(OCC)cc1 CCOc1cccc2c1cc(C(=O)O)n2CC ZINC000006712679 60/36/46/353603646 SRPDTUVHVOFYDB-UHFFFAOYSA-N -1 233.267 BF 2.758 0 Anodyne ref BFAARM CCOc1cccc2c1cc(C(=O)[O-])n2CC NCCc1c(-c2ccncc2)[nH]c2ccccc12 ZINC000006732096 16/45/34/384164534 WRCDQCVXWUWMTJ-UHFFFAOYSA-N 1 237.306 BF 2.731 0 Anodyne ref BFAARO [NH3+]CCc1c(-c2ccncc2)[nH]c2ccccc12 NCCc1c(-c2ccccn2)[nH]c2ccccc12 ZINC000006732098 16/55/41/384165541 GEZBZIWBDYGEDE-UHFFFAOYSA-N 1 237.306 BF 2.731 0 Anodyne ref BFAARO [NH3+]CCc1c(-c2ccccn2)[nH]c2ccccc12 N#C[C@H](Nc1ccccc1)c1ccncc1 ZINC000006732156 06/66/70/181066670 ZQEGWGUGAZWBPY-ZDUSSCGKSA-N 0 209.252 BF 2.758 0 Mild ref BFEARN N#C[C@H](Nc1ccccc1)c1ccncc1 N#C[C@@H](Nc1ccccc1)c1ccncc1 ZINC000006732157 05/74/20/181057420 ZQEGWGUGAZWBPY-CYBMUJFWSA-N 0 209.252 BF 2.758 0 Mild ref BFEARN N#C[C@@H](Nc1ccccc1)c1ccncc1 N#C[C@H](Nc1ccccc1)c1cccnc1 ZINC000006732158 06/65/39/181066539 LCJYDAGMDMNRFO-ZDUSSCGKSA-N 0 209.252 BF 2.758 0 Mild ref BFEARN N#C[C@H](Nc1ccccc1)c1cccnc1 N#C[C@@H](Nc1ccccc1)c1cccnc1 ZINC000006732159 05/68/79/181056879 LCJYDAGMDMNRFO-CYBMUJFWSA-N 0 209.252 BF 2.758 0 Mild ref BFEARN N#C[C@@H](Nc1ccccc1)c1cccnc1 N#C[C@H](Nc1ccccc1)c1ccccn1 ZINC000006732160 06/68/25/181066825 UCPRBCNEOGYFEY-ZDUSSCGKSA-N 0 209.252 BF 2.758 0 Mild ref BFEARN N#C[C@H](Nc1ccccc1)c1ccccn1 N#C[C@@H](Nc1ccccc1)c1ccccn1 ZINC000006732161 05/69/11/181056911 UCPRBCNEOGYFEY-CYBMUJFWSA-N 0 209.252 BF 2.758 0 Mild ref BFEARN N#C[C@@H](Nc1ccccc1)c1ccccn1 CC(C)(C)OC(=O)Nc1ccc(C=O)cc1 ZINC000006732191 78/17/02/342781702 SVQVBAUJEKSBEC-UHFFFAOYSA-N 0 221.256 BF 2.846 0 Anodyne ref BFAARN CC(C)(C)OC(=O)Nc1ccc(C=O)cc1