0 B13R2.435 C=C(C)c1cc2ccccc2s1 Amb27218285 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.435 C=C(C)c1cc2ccccn2c1 Amb27777038 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.435 C=C(C)c1cc2ccccn2n1 Amb27590342 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 CC(=O)C1=Cc2ccccc2C1 Amb17777848 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 CC(=O)C1Cc2ccccc2C1 Amb10071756 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.435 CC(=O)C1Cc2ccccc2N1 Amb28423109 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.435 CC(=O)C1Cc2ccccc2O1 Amb23586288 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.435 CC(=O)N1Cc2ccccc2C1 Amb26627508 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.435 CC(=O)c1cc2ccccc2s1 Amb5719845 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.435 CC(=O)c1cc2ccccn2c1 Amb10607345 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.435 CC(=O)c1cc2ccncc2s1 Amb18825003 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.435 CC(=O)c1cc2cnccc2s1 Amb18195960 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.435 CC(=O)c1cc2cncnc2s1 Amb18678304 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.435 CC(=O)c1cc2cnncc2s1 Amb27177966 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.435 CC(=O)c1cc2ncccn2n1 Amb26629304 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.435 CC(=O)c1cc2nccnc2o1 Amb18829866 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.435 CC(=O)c1cc2nccnc2s1 Amb18824895 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.435 CC(=O)c1cn2ccccc2n1 Amb21963117 [0,0,0,0,0,0|2,0,1]=3 22 B13R2.435 CC(=O)c1cn2cccnc2n1 Amb25892776 [0,0,0,0,0,0|3,0,1]=4 23 B13R2.435 CC(=O)c1nc2ccccc2o1 Amb19957805 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.435 CC(=O)c1nc2ccccc2s1 Amb1655468 [0,0,0,0,0,0|2,0,1]=3 25 B13R2.435 CC(=O)c1nc2ccccn2n1 Amb27782530 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.435 CC(=O)c1nc2cnccc2s1 Amb28241782 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.435 CC(=O)c1nc2ncccc2o1 Amb18829843 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.435 CC(=O)n1cc2ccccc2c1 Amb25831153 [0,0,0,0,0,0|3,0,0]=3 29 B13R2.435 CC(=O)n1cc2ccccc2n1 Amb25876913 [0,0,0,0,0,0|2,0,1]=3 30 B13R2.435 CC(=O)n1nc2ccccc2n1 Amb27453474 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.435 CC(Br)c1cc2ccccc2o1 Amb8835418 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.435 CC(C)C1=Cc2ccccc2C1 Amb27480774 [0,0,0,0,0,0|3,0,1]=4 33 B13R2.435 CC(N)c1cc2ccccc2o1 Amb32409843 [0,0,0,0,0,0|3,0,1]=4 34 B13R2.435 CC(N)c1cc2ccccc2o1 Amb9723188 [0,0,0,0,0,0|3,0,1]=4 35 B13R2.435 CC(N)c1cc2ccccc2s1 Amb33463036 [0,0,0,0,0,0|3,0,1]=4 36 B13R2.435 CC(N)c1cc2ccccc2s1 Amb3788266 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.435 CC(O)c1cc2ccccc2o1 Amb433076 [0,0,0,0,0,0|2,0,1]=3 38 B13R2.435 CC(O)c1cc2ccccc2s1 Amb8395817 [0,0,0,0,0,0|2,0,1]=3 39 B13R2.435 CC(O)c1cc2cnccc2s1 Amb24642410 [0,0,0,0,0,0|3,0,1]=4 40 B13R2.435 CC(O)c1cc2ncccc2o1 Amb27785748 [0,0,0,0,0,0|3,0,1]=4 41 B13R2.435 CC(O)c1nc2ccccc2o1 Amb2148731 [0,0,0,0,0,0|2,0,2]=4 42 B13R2.435 CC(O)c1nc2ccccc2s1 Amb1152992 [0,0,0,0,0,0|2,0,2]=4 43 B13R2.435 CC(S)c1cc2ccccc2o1 Amb7784740 [0,0,0,0,0,0|2,1,1]=4 44 B13R2.435 CC(S)c1cc2ccccc2s1 Amb27397301 [0,0,0,0,0,0|2,1,1]=4 45 B13R2.435 CN(O)c1nc2ccccc2o1 Amb27624961 [0,0,0,0,0,0|3,0,1]=4 46 B13R2.435 CN(O)c1nc2ccccc2s1 Amb28137795 [0,0,0,0,0,0|3,0,1]=4 47 B13R2.435 C[C@@H](N)c1cc2ccccc2o1 Amb13952989 [0,0,0,0,0,0|3,0,1]=4 48 B13R2.435 C[C@@H](N)c1cc2ccccc2o1 Amb32758677 [0,0,0,0,0,0|3,0,1]=4 49 B13R2.435 C[C@@H](N)c1cc2ccccc2s1 Amb25326391 [0,0,0,0,0,0|3,0,1]=4 50 B13R2.435 C[C@@H](O)c1cc2ccccc2o1 Amb13952988 [0,0,0,0,0,0|2,0,1]=3 51 B13R2.435 C[C@@H](O)c1cc2ccccc2s1 Amb27264851 [0,0,0,0,0,0|2,0,1]=3 52 B13R2.435 C[C@@H](O)c1cn2ccccc2n1 Amb33148260 [0,0,0,0,0,0|2,0,2]=4 53 B13R2.435 C[C@@H](O)c1nc2ccccc2o1 Amb28069780 [0,0,0,0,0,0|2,0,2]=4 54 B13R2.435 C[C@@H](O)c1nc2ccccc2s1 Amb19373748 [0,0,0,0,0,0|2,0,2]=4 55 B13R2.435 C[C@H](N)c1cc2ccccc2o1 Amb13952990 [0,0,0,0,0,0|3,0,1]=4 56 B13R2.435 C[C@H](N)c1cc2ccccc2o1 Amb30584894 [0,0,0,0,0,0|3,0,1]=4 57 B13R2.435 C[C@H](N)c1cc2ccccc2s1 Amb24670237 [0,0,0,0,0,0|3,0,1]=4 58 B13R2.435 C[C@H](O)[C@@H]1Cc2ccccc2N1 Amb27642314 [0,0,0,0,0,0|1,0,3]=4 59 B13R2.435 C[C@H](O)c1cc2ccccc2o1 Amb13952987 [0,0,0,0,0,0|2,0,1]=3 60 B13R2.435 C[C@H](O)c1cc2ccccc2s1 Amb25786143 [0,0,0,0,0,0|2,0,1]=3 61 B13R2.435 C[C@H](O)c1cn2ccccc2n1 Amb33148265 [0,0,0,0,0,0|2,0,2]=4 62 B13R2.435 C[C@H](O)c1nc2ccccc2o1 Amb27653125 [0,0,0,0,0,0|2,0,2]=4 63 B13R2.435 C[C@H](O)c1nc2ccccc2s1 Amb28250602 [0,0,0,0,0,0|2,0,2]=4 64 B13R2.435 N=C(N)c1cc2ccccc2o1 Amb19374967 [0,0,0,0,0,0|3,0,0]=3 65 B13R2.435 N=C(N)c1cc2ccccc2s1 Amb23116599 [0,0,0,0,0,0|3,0,0]=3 66 B13R2.435 N=C(N)c1cn2ccccc2n1 Amb25075299 [0,0,0,0,0,0|3,0,1]=4 67 B13R2.435 N=C(N)c1nc2ccccc2o1 Amb28121059 [0,0,0,0,0,0|3,0,1]=4 68 B13R2.435 N=C(N)c1nc2ccccc2s1 Amb3940837 [0,0,0,0,0,0|3,0,1]=4 69 B13R2.435 N=C(N)n1cc2ccccc2n1 Amb27429952 [0,0,0,0,0,0|3,0,1]=4 70 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,0,0,0,0,0|2,0,0]=2 71 B13R2.435 NC(=O)C1Cc2ccccc2C1 Amb28291341 [0,0,0,0,0,0|2,0,2]=4 72 B13R2.435 NC(=O)C1Cc2ccccc2N1 Amb7173128 [0,0,0,0,0,0|1,0,2]=3 73 B13R2.435 NC(=O)C1Cc2ccccc2S1 Amb8998792 [0,0,0,0,0,0|2,0,2]=4 74 B13R2.435 NC(=O)[C@@H]1Cc2ccccc2N1 Amb9753465 [0,0,0,0,0,0|1,0,2]=3 75 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,0,0,0,0,0|2,0,0]=2 76 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,0,0,0,0,0|2,0,0]=2 77 B13R2.435 NC(=O)c1cc2ccccn2c1 Amb26349575 [0,0,0,0,0,0|3,0,0]=3 78 B13R2.435 NC(=O)c1cc2ccccn2n1 Amb22002382 [0,0,0,0,0,0|2,0,1]=3 79 B13R2.435 NC(=O)c1cc2ncccn2n1 Amb20514297 [0,0,0,0,0,0|3,0,1]=4 80 B13R2.435 NC(=O)c1cn2ccccc2n1 Amb33551894 [0,0,0,0,0,0|2,0,1]=3 81 B13R2.435 NC(=O)c1nc2ccccc2o1 Amb22500295 [0,0,0,0,0,0|2,0,1]=3 82 B13R2.435 NC(=O)c1nc2ccccc2s1 Amb2565672 [0,0,0,0,0,0|2,0,1]=3 83 B13R2.435 NC(=O)c1nc2cccnc2s1 Amb27983803 [0,0,0,0,0,0|3,0,1]=4 84 B13R2.435 NC(=O)n1cc2ccccc2n1 Amb27983685 [0,0,0,0,0,0|2,0,1]=3 85 B13R2.435 NC(=O)n1nc2ccccc2n1 Amb28197148 [0,0,0,0,0,0|3,0,1]=4 86 B13R2.435 NC(=S)C1Cc2ccccc2N1 Amb28044916 [0,0,0,0,0,0|1,1,2]=4 87 B13R2.435 NC(=S)c1cc2ccccc2o1 Amb8834038 [0,0,0,0,0,0|2,1,0]=3 88 B13R2.435 NC(=S)c1cc2ccccc2s1 Amb28043019 [0,0,0,0,0,0|2,1,0]=3 89 B13R2.435 NC(=S)c1cn2ccccc2n1 Amb17209240 [0,0,0,0,0,0|2,1,1]=4 90 B13R2.435 NC(=S)c1nc2ccccc2o1 Amb24417789 [0,0,0,0,0,0|2,1,1]=4 91 B13R2.435 NC(=S)c1nc2ccccc2s1 Amb24061120 [0,0,0,0,0,0|2,1,1]=4 92 B13R2.435 O=C(Cl)C1Cc2ccccc2O1 Amb2723362 [0,0,0,0,0,0|2,0,2]=4 93 B13R2.435 O=C(Cl)N1Cc2ccccc2C1 Amb24061265 [0,0,0,0,0,0|3,0,1]=4 94 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,0,0,0,0,0|2,0,0]=2 95 B13R2.435 O=C(Cl)c1cc2ccccc2s1 Amb2723175 [0,0,0,0,0,0|2,0,0]=2 96 B13R2.435 O=C(Cl)c1cc2ccccn2c1 Amb27259695 [0,0,0,0,0,0|3,0,0]=3 97 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,0,0,0,0,0|3,0,0]=3 98 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,0,0,0,0,0|3,0,0]=3 99 B13R2.435 O=C(Cl)c1cn2cccnc2n1 Amb16230814 [0,0,0,0,0,0|3,0,1]=4 100 B13R2.435 O=C(Cl)c1cn2cnccc2n1 Amb10071447 [0,0,0,0,0,0|3,0,1]=4 101 B13R2.435 O=C(Cl)c1cn2ncccc2n1 Amb10071445 [0,0,0,0,0,0|3,0,1]=4 102 B13R2.435 O=C(Cl)c1nc2ccccc2s1 Amb2723093 [0,0,0,0,0,0|2,0,1]=3 103 B13R2.435 O=C(O)C1=CN2=CC=CN=C2N1 Amb31128517 [0,0,0,0,0,0|2,0,0]=2 104 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,0,0,0,0,0|1,0,0]=1 105 B13R2.435 O=C(O)C1=Nc2ccccc2C1 Amb24078944 [0,0,0,0,0,0|0,0,2]=2 106 B13R2.435 O=C(O)C1Cc2ccccc2C1 Amb33537232 [0,0,0,0,0,0|1,0,2]=3 107 B13R2.435 O=C(O)C1Cc2ccccc2N1 Amb1914079 [0,0,0,0,0,0|0,0,2]=2 108 B13R2.435 O=C(O)C1Cc2ccccc2O1 Amb1154832 [0,0,0,0,0,0|1,0,2]=3 109 B13R2.435 O=C(O)C1Cc2ccccc2S1 Amb9702994 [0,0,0,0,0,0|1,0,2]=3 110 B13R2.435 O=C(O)C1Cc2cccnc2C1 Amb18829466 [0,0,0,0,0,0|2,0,2]=4 111 B13R2.435 O=C(O)C1Cc2cccnc2C1 Amb29083219 [0,0,0,0,0,0|2,0,2]=4 112 B13R2.435 O=C(O)C1Cc2cccnc2N1 Amb27794813 [0,0,0,0,0,0|1,0,2]=3 113 B13R2.435 O=C(O)C1Cc2ccncc2C1 Amb24563347 [0,0,0,0,0,0|2,0,2]=4 114 B13R2.435 O=C(O)C1Cc2ccncc2C1 Amb33552604 [0,0,0,0,0,0|2,0,2]=4 115 B13R2.435 O=C(O)C1Oc2ccccc2O1 Amb535196 [0,0,0,0,0,0|2,0,1]=3 116 B13R2.435 O=C(O)C1Oc2ccccc2S1 Amb27477990 [0,0,0,0,0,0|2,0,1]=3 117 B13R2.435 O=C(O)C1Sc2ccccc2S1 Amb2795796 [0,0,0,0,0,0|2,0,1]=3 118 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2N1 Amb2698470 [0,0,0,0,0,0|0,0,2]=2 119 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2O1 Amb28396501 [0,0,0,0,0,0|1,0,2]=3 120 B13R2.435 O=C(O)[C@H]1Cc2ccccc2N1 Amb2699613 [0,0,0,0,0,0|0,0,2]=2 121 B13R2.435 O=C(O)c1cc2c(s1)C=CCO2 Amb6718271 [0,0,0,0,0,0|2,0,1]=3 122 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,0,0,0,0,0|1,0,0]=1 123 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,0,0,0,0|1,0,0]=1 124 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,0,0,0,0,0|1,0,0]=1 125 B13R2.435 O=C(O)c1cc2ccccn2c1 Amb2610302 [0,0,0,0,0,0|2,0,0]=2 126 B13R2.435 O=C(O)c1cc2ccccn2n1 Amb2235996 [0,0,0,0,0,0|1,0,1]=2 127 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,0,0,0,0|2,0,0]=2 128 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,0,0,0,0|2,0,0]=2 129 B13R2.435 O=C(O)c1cc2cccnn2n1 Amb24330534 [0,0,0,0,0,0|2,0,1]=3 130 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,0,0,0,0,0|2,0,0]=2 131 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,0,0,0,0,0|2,0,0]=2 132 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,0,0,0,0|2,0,0]=2 133 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,0,0,0,0|2,0,0]=2 134 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,0,0,0,0,0|3,0,0]=3 135 B13R2.435 O=C(O)c1cc2cncnc2s1 Amb18145660 [0,0,0,0,0,0|3,0,0]=3 136 B13R2.435 O=C(O)c1cc2cncnn2c1 Amb18829518 [0,0,0,0,0,0|4,0,0]=4 137 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,0,0,0,0,0|3,0,0]=3 138 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,0,0,0,0,0|2,0,0]=2 139 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,0,0,0,0,0|2,0,0]=2 140 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,0,0,0,0,0|2,0,0]=2 141 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb1058799 [0,0,0,0,0,0|2,0,1]=3 142 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb22492395 [0,0,0,0,0,0|2,0,1]=3 143 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,0,0,0,0,0|3,0,0]=3 144 B13R2.435 O=C(O)c1cc2nccnc2s1 Amb2723505 [0,0,0,0,0,0|3,0,0]=3 145 B13R2.435 O=C(O)c1cc2ncncc2s1 Amb18824542 [0,0,0,0,0,0|3,0,0]=3 146 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb1106602 [0,0,0,0,0,0|1,0,1]=2 147 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb19514889 [0,0,0,0,0,0|1,0,1]=2 148 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb2688822 [0,0,0,0,0,0|1,0,1]=2 149 B13R2.435 O=C(O)c1cn2cccnc2n1 Amb33532058 [0,0,0,0,0,0|2,0,1]=3 150 B13R2.435 O=C(O)c1cn2ccncc2n1 Amb6359289 [0,0,0,0,0,0|2,0,1]=3 151 B13R2.435 O=C(O)c1cn2cnccc2n1 Amb10071587 [0,0,0,0,0,0|2,0,1]=3 152 B13R2.435 O=C(O)c1cn2cncnc2n1 Amb28061009 [0,0,0,0,0,0|3,0,1]=4 153 B13R2.435 O=C(O)c1cn2ncccc2n1 Amb10071426 [0,0,0,0,0,0|2,0,1]=3 154 B13R2.435 O=C(O)c1cn2nccnc2n1 Amb27618841 [0,0,0,0,0,0|3,0,1]=4 155 B13R2.435 O=C(O)c1nc2ccccc2o1 Amb10066905 [0,0,0,0,0,0|1,0,1]=2 156 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb17622301 [0,0,0,0,0,0|1,0,1]=2 157 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb3428729 [0,0,0,0,0,0|1,0,1]=2 158 B13R2.435 O=C(O)c1nc2ccccn2n1 Amb21962231 [0,0,0,0,0,0|2,0,1]=3 159 B13R2.435 O=C(O)c1nc2cccnc2s1 Amb22499596 [0,0,0,0,0,0|2,0,1]=3 160 B13R2.435 O=C(O)c1nc2ccncc2s1 Amb22728609 [0,0,0,0,0,0|2,0,1]=3 161 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,0,0,0,0,0|2,0,1]=3 162 B13R2.435 O=C(O)c1nc2cnccc2s1 Amb24100066 [0,0,0,0,0,0|2,0,1]=3 163 B13R2.435 O=C(O)c1nc2ncccc2o1 Amb18829106 [0,0,0,0,0,0|2,0,1]=3 164 B13R2.435 O=C(O)c1nc2ncccc2s1 Amb22490341 [0,0,0,0,0,0|2,0,1]=3 165 B13R2.435 O=C(O)c1nc2ncccn2n1 Amb33533091 [0,0,0,0,0,0|3,0,1]=4 166 B13R2.435 O=C([O-])C1Cc2ccccc2C1 Amb32660995 [0,0,0,0,0,0|1,0,3]=4 167 B13R2.435 O=C([O-])C1Cc2ccccc2N1 Amb33513028 [0,0,0,0,0,0|0,0,3]=3 168 B13R2.435 O=C([O-])c1cn2ccccc2n1 Amb19665498 [0,0,0,0,0,0|1,0,2]=3 169 B13R2.435 O=C([O-])c1cn2ccncc2n1 Amb32645660 [0,0,0,0,0,0|2,0,2]=4 170 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19651173 [0,0,0,0,0,0|1,0,2]=3 171 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb19944614 [0,0,0,0,0,0|1,0,2]=3 172 B13R2.435 O=C([O-])c1nc2ccccc2o1 Amb21961465 [0,0,0,0,0,0|1,0,2]=3 173 B13R2.435 O=C([O-])c1nc2ccccc2s1 Amb1103264 [0,0,0,0,0,0|1,0,2]=3 174 B13R2.435 O=C([O-])c1nc2ccccc2s1 Amb2354722 [0,0,0,0,0,0|1,0,2]=3 175 B13R2.435 O=C([O-])c1nc2ccccn2n1 Amb33496193 [0,0,0,0,0,0|2,0,2]=4 176 B13R2.435 O=C([O-])c1nc2ncccc2o1 Amb32665276 [0,0,0,0,0,0|2,0,2]=4 177 B13R2.435 O=S(O)c1nc2ccccc2s1 Amb24061131 [0,0,0,0,0,0|2,0,1]=3 178 B13R2.435 O=S([O-])c1cc2ccccc2o1 Amb32754314 [0,0,0,0,0,0|2,0,1]=3 179 B13R2.435 O=S([O-])c1nc2ccccc2s1 Amb32755233 [0,0,0,0,0,0|2,0,2]=4 180 B13R2.435 O=S([O-])c1nc2ccccc2s1 Amb32992544 [0,0,0,0,0,0|2,0,2]=4 181 B13R2.435 O=[N+]([O-])c1cc2ccccc2o1 Amb19958202 [0,0,0,0,0,0|2,0,1]=3 182 B13R2.435 O=[N+]([O-])c1cc2cccnc2o1 Amb28399355 [0,0,0,0,0,0|3,0,1]=4 183 B13R2.435 OB(O)C1=Cc2ccccc2C1 Amb22753921 [0,0,0,0,0,0|2,0,1]=3 184 B13R2.435 OB(O)c1cc2ccccc2o1 Amb2447248 [0,0,0,0,0,0|2,0,1]=3 185 B13R2.435 OB(O)c1cc2ccccc2s1 Amb2234929 [0,0,0,0,0,0|2,0,1]=3 186 B13R2.435 OB(O)c1cc2cccnc2s1 Amb28076114 [0,0,0,0,0,0|3,0,1]=4 187 B13R2.435 OB(O)c1cc2ccncc2s1 Amb27779168 [0,0,0,0,0,0|3,0,1]=4 188 B13R2.435 OB(O)c1cc2ccncc2s1 Amb33620671 [0,0,0,0,0,0|3,0,1]=4 189 B13R2.435 OB(O)c1cc2cnccc2s1 Amb24074361 [0,0,0,0,0,0|3,0,1]=4 190 B13R2.435 OB(O)c1cc2ncccc2s1 Amb26890966 [0,0,0,0,0,0|3,0,1]=4 191 B13R2.435 OB(O)c1cc2ncccc2s1 Amb33620670 [0,0,0,0,0,0|3,0,1]=4 192 B13R2.435 OB(O)c1cn2ccccc2n1 Amb26322432 [0,0,0,0,0,0|2,0,2]=4 193 B13R2.435 OC(O)c1nc2ccccc2o1 Amb28188309 [0,0,0,0,0,0|1,0,3]=4 194 B13R2.435 OC(O)c1nc2ccccc2s1 Amb24440433 [0,0,0,0,0,0|1,0,3]=4 195 B13R2.435 S=C(Cl)c1nc2ccccc2o1 Amb27847197 [0,0,0,0,0,0|2,1,1]=4 196 B12R2.32 BrCc1cc2ccccc2o1 Amb9175042 [1,0,0,0,0,0|2,0,1]=4 197 B12R2.32 BrCc1cc2ccccc2s1 Amb25289923 [1,0,0,0,0,0|2,0,1]=4 198 B12R2.32 C#Cc1cc2ccccc2s1 Amb25312447 [1,0,0,0,0,0|2,0,1]=4 199 B12R2.32 C=CC1Cc2ccccc2N1 Amb28410346 [1,0,0,0,0,0|1,0,2]=4 200 B12R2.32 C=Cc1cc2ccccc2s1 Amb28186077 [1,0,0,0,0,0|2,0,0]=3 201 B12R2.32 C=Cc1cc2cccnc2s1 Amb28436507 [1,0,0,0,0,0|3,0,0]=4 202 B12R2.32 C=Cc1nc2ccccc2o1 Amb24602813 [1,0,0,0,0,0|2,0,1]=4 203 B12R2.32 C=Cc1nc2ccccc2s1 Amb24085073 [1,0,0,0,0,0|2,0,1]=4 204 B12R2.32 CCC1=Cc2ccccc2C1 Amb6357923 [1,0,0,0,0,0|2,0,1]=4 205 B12R2.32 CCc1cc2ccccc2o1 Amb6608886 [1,0,0,0,0,0|2,0,1]=4 206 B12R2.32 CNc1cc2ccccc2s1 Amb27428924 [1,0,0,0,0,0|3,0,0]=4 207 B12R2.32 COc1cc2ccccc2o1 Amb27962930 [1,0,0,0,0,0|3,0,0]=4 208 B12R2.32 ClC=C1Cc2ccccc2C1 Amb8394322 [1,0,0,0,0,0|2,0,1]=4 209 B12R2.32 ClCc1cc2ccccc2o1 Amb9004317 [1,0,0,0,0,0|2,0,1]=4 210 B12R2.32 ClCc1cc2ccccc2s1 Amb16187137 [1,0,0,0,0,0|2,0,1]=4 211 B12R2.32 N#CC1=Cc2ccccc2C1 Amb18643732 [1,0,0,0,0,0|2,0,1]=4 212 B12R2.32 N#Cc1cc2ccccc2o1 Amb2704399 [1,0,0,0,0,0|2,0,1]=4 213 B12R2.32 N#Cc1cc2ccccc2s1 Amb8396883 [1,0,0,0,0,0|2,0,1]=4 214 B12R2.32 NCc1cc2ccccc2o1 Amb6271209 [1,0,0,0,0,0|2,0,1]=4 215 B12R2.32 NCc1cc2ccccc2o1 Amb9176345 [1,0,0,0,0,0|2,0,1]=4 216 B12R2.32 NCc1cc2ccccc2s1 Amb1801549 [1,0,0,0,0,0|2,0,1]=4 217 B12R2.32 NCc1cc2ccccc2s1 Amb6344855 [1,0,0,0,0,0|2,0,1]=4 218 B12R2.32 N\N=C1/Nc2ccccc2S1 Amb22540452 [1,0,0,0,0,0|3,0,0]=4 219 B12R2.32 O=CC1=CC2C=CC=CC2=C1 Amb28145758 [1,0,0,0,0,0|1,0,1]=3 220 B12R2.32 O=CC1=Cc2ccccc2C1 Amb18644150 [1,0,0,0,0,0|1,0,0]=2 221 B12R2.32 O=CC1Cc2ccccc2C1 Amb33547407 [1,0,0,0,0,0|1,0,2]=4 222 B12R2.32 O=CC1Cc2ccccc2N1 Amb27232668 [1,0,0,0,0,0|0,0,2]=3 223 B12R2.32 O=CC1Oc2ccccc2O1 Amb27409489 [1,0,0,0,0,0|2,0,1]=4 224 B12R2.32 O=CN1Cc2ccccc2C1 Amb26325036 [1,0,0,0,0,0|2,0,1]=4 225 B12R2.32 O=Cc1cc2ccccc2o1 Amb1156936 [1,0,0,0,0,0|1,0,0]=2 226 B12R2.32 O=Cc1cc2ccccc2s1 Amb2447439 [1,0,0,0,0,0|1,0,0]=2 227 B12R2.32 O=Cc1cc2ccccn2c1 Amb26954646 [1,0,0,0,0,0|2,0,0]=3 228 B12R2.32 O=Cc1cc2ccccn2n1 Amb10067626 [1,0,0,0,0,0|1,0,1]=3 229 B12R2.32 O=Cc1cc2cccnc2o1 Amb18202346 [1,0,0,0,0,0|2,0,0]=3 230 B12R2.32 O=Cc1cc2cccnc2s1 Amb2723081 [1,0,0,0,0,0|2,0,0]=3 231 B12R2.32 O=Cc1cc2cccnn2c1 Amb27263695 [1,0,0,0,0,0|3,0,0]=4 232 B12R2.32 O=Cc1cc2ccncc2s1 Amb13890511 [1,0,0,0,0,0|2,0,0]=3 233 B12R2.32 O=Cc1cc2cnccc2o1 Amb18124811 [1,0,0,0,0,0|2,0,0]=3 234 B12R2.32 O=Cc1cc2cnccc2s1 Amb18139393 [1,0,0,0,0,0|2,0,0]=3 235 B12R2.32 O=Cc1cc2cnccn2c1 Amb18202369 [1,0,0,0,0,0|3,0,0]=4 236 B12R2.32 O=Cc1cc2cncnc2s1 Amb18828876 [1,0,0,0,0,0|3,0,0]=4 237 B12R2.32 O=Cc1cc2cnncc2o1 Amb18831405 [1,0,0,0,0,0|3,0,0]=4 238 B12R2.32 O=Cc1cc2cnncc2s1 Amb18828877 [1,0,0,0,0,0|3,0,0]=4 239 B12R2.32 O=Cc1cc2ncccc2o1 Amb18124810 [1,0,0,0,0,0|2,0,0]=3 240 B12R2.32 O=Cc1cc2ncccc2s1 Amb18126370 [1,0,0,0,0,0|2,0,0]=3 241 B12R2.32 O=Cc1cc2nccnc2o1 Amb18831410 [1,0,0,0,0,0|3,0,0]=4 242 B12R2.32 O=Cc1cc2nccnc2s1 Amb2723506 [1,0,0,0,0,0|3,0,0]=4 243 B12R2.32 O=Cc1cc2ncncc2o1 Amb18831403 [1,0,0,0,0,0|3,0,0]=4 244 B12R2.32 O=Cc1cc2ncncc2s1 Amb18828881 [1,0,0,0,0,0|3,0,0]=4 245 B12R2.32 O=Cc1cn2ccccc2n1 Amb2723503 [1,0,0,0,0,0|1,0,1]=3 246 B12R2.32 O=Cc1cn2cccnc2n1 Amb8010289 [1,0,0,0,0,0|2,0,1]=4 247 B12R2.32 O=Cc1cn2ccncc2n1 Amb8010290 [1,0,0,0,0,0|2,0,1]=4 248 B12R2.32 O=Cc1cn2ncccc2n1 Amb18831428 [1,0,0,0,0,0|2,0,1]=4 249 B12R2.32 O=Cc1nc2ccccc2o1 Amb2820047 [1,0,0,0,0,0|1,0,1]=3 250 B12R2.32 O=Cc1nc2ccccc2s1 Amb2723094 [1,0,0,0,0,0|1,0,1]=3 251 B12R2.32 O=Cc1nc2ccccn2n1 Amb22500855 [1,0,0,0,0,0|2,0,1]=4 252 B12R2.32 O=Cc1nc2cccnc2o1 Amb18831406 [1,0,0,0,0,0|2,0,1]=4 253 B12R2.32 O=Cc1nc2cccnc2s1 Amb18828883 [1,0,0,0,0,0|2,0,1]=4 254 B12R2.32 O=Cc1nc2ccncc2o1 Amb18831409 [1,0,0,0,0,0|2,0,1]=4 255 B12R2.32 O=Cc1nc2cnccc2s1 Amb18828882 [1,0,0,0,0,0|2,0,1]=4 256 B12R2.32 O=Cc1nc2ncccc2s1 Amb18199777 [1,0,0,0,0,0|2,0,1]=4 257 B12R2.32 OC=C1C=C2C=CC=CC2=C1 Amb27947827 [1,0,0,0,0,0|1,0,0]=2 258 B12R2.32 OCC1Cc2ccccc2N1 Amb2724872 [1,0,0,0,0,0|0,0,3]=4 259 B12R2.32 OC[C@@H]1Cc2ccccc2N1 Amb22336386 [1,0,0,0,0,0|0,0,3]=4 260 B12R2.32 OC[C@H]1Cc2ccccc2N1 Amb24746775 [1,0,0,0,0,0|0,0,3]=4 261 B12R2.32 OCc1cc2ccccc2o1 Amb1156663 [1,0,0,0,0,0|1,0,1]=3 262 B12R2.32 OCc1cc2ccccc2s1 Amb2688765 [1,0,0,0,0,0|1,0,1]=3 263 B12R2.32 OCc1cc2ccccn2n1 Amb21964384 [1,0,0,0,0,0|1,0,2]=4 264 B12R2.32 OCc1cc2ccccn2n1 Amb33734105 [1,0,0,0,0,0|1,0,2]=4 265 B12R2.32 OCc1cc2cccnc2s1 Amb2723082 [1,0,0,0,0,0|2,0,1]=4 266 B12R2.32 OCc1cc2ccncc2s1 Amb19649241 [1,0,0,0,0,0|2,0,1]=4 267 B12R2.32 OCc1cc2cnccc2o1 Amb23536096 [1,0,0,0,0,0|2,0,1]=4 268 B12R2.32 OCc1cc2cnccc2s1 Amb19649217 [1,0,0,0,0,0|2,0,1]=4 269 B12R2.32 OCc1cc2ncccc2s1 Amb24485822 [1,0,0,0,0,0|2,0,1]=4 270 B12R2.32 OCc1cn2ccccc2n1 Amb20623412 [1,0,0,0,0,0|1,0,2]=4 271 B12R2.32 OCc1cn2ccccc2n1 Amb33526650 [1,0,0,0,0,0|1,0,2]=4 272 B12R2.32 OCc1nc2ccccc2o1 Amb9421672 [1,0,0,0,0,0|1,0,2]=4 273 B12R2.32 OCc1nc2ccccc2s1 Amb6335235 [1,0,0,0,0,0|1,0,2]=4 274 B12R2.32 ON=C1Cc2ccccc2C1 Amb5718677 [1,0,0,0,0,0|2,0,1]=4 275 B12R2.32 ONC1=Nc2ccccc2C1 Amb27202201 [1,0,0,0,0,0|1,0,2]=4 276 B12R2.32 ONc1nc2ccccc2o1 Amb28127982 [1,0,0,0,0,0|2,0,1]=4 277 B12R2.32 OSc1nc2ccccc2s1 Amb27971136 [1,0,0,0,0,0|2,0,1]=4 278 B12R2.32 O\C=C1\C=C2C=CC=CC2=N1 Amb26342374 [1,0,0,0,0,0|0,0,1]=2 279 B12R2.32 SCc1cc2ccccc2o1 Amb32788142 [1,0,0,0,0,0|1,1,1]=4 280 B12R2.32 SCc1cc2ccccc2s1 Amb26004107 [1,0,0,0,0,0|1,1,1]=4 281 B14R2.450 C=C(C)c1cc2ccccc2n1C Amb27965892 [0,1,0,0,0,0|2,0,0]=3 282 B14R2.450 C=C(C)c1nc2ccccc2n1C Amb27833938 [0,1,0,0,0,0|3,0,0]=4 283 B14R2.450 CC(=O)C1Cc2ccccc2C1=O Amb18803911 [0,1,0,0,0,0|2,0,1]=4 284 B14R2.450 CC(=O)C1Nc2ccccc2C1=O Amb17594440 [0,1,0,0,0,0|1,0,1]=3 285 B14R2.450 CC(=O)C1Oc2ccccc2C1=O Amb27656428 [0,1,0,0,0,0|2,0,1]=4 286 B14R2.450 CC(=O)C1Sc2ccccc2C1=O Amb8470280 [0,1,0,0,0,0|2,0,1]=4 287 B14R2.450 CC(=O)c1cc2ccccc2n1C Amb10808756 [0,1,0,0,0,0|1,0,0]=2 288 B14R2.450 CC(=O)c1cc2ccccc2n1N Amb18197684 [0,1,0,0,0,0|1,0,0]=2 289 B14R2.450 CC(=O)c1cc2ccccc2n1O Amb26493236 [0,1,0,0,0,0|1,0,0]=2 290 B14R2.450 CC(=O)c1cc2ccccn2c1C Amb28193436 [0,1,0,0,0,0|3,0,0]=4 291 B14R2.450 CC(=O)c1nc2ccccc2n1C Amb1655600 [0,1,0,0,0,0|2,0,0]=3 292 B14R2.450 CC(=O)c1nc2cccnc2n1C Amb28317798 [0,1,0,0,0,0|3,0,0]=4 293 B14R2.450 CC(=O)c1oc2ccccc2c1Br Amb6751841 [0,1,0,0,0,0|2,0,0]=3 294 B14R2.450 CC(=O)c1oc2ccccc2c1C Amb415884 [0,1,0,0,0,0|2,0,0]=3 295 B14R2.450 CC(=O)c1oc2ccccc2c1N Amb1111489 [0,1,0,0,0,0|2,0,0]=3 296 B14R2.450 CC(=O)c1oc2ccccc2c1O Amb25898601 [0,1,0,0,0,0|2,0,0]=3 297 B14R2.450 CC(=O)c1oc2ncccc2c1N Amb22641025 [0,1,0,0,0,0|3,0,0]=4 298 B14R2.450 CC(=O)c1sc2ccccc2c1C Amb1663934 [0,1,0,0,0,0|2,0,0]=3 299 B14R2.450 CC(=O)c1sc2ccccc2c1Cl Amb2614615 [0,1,0,0,0,0|2,0,0]=3 300 B14R2.450 CC(=O)c1sc2ccccc2c1N Amb18650902 [0,1,0,0,0,0|2,0,0]=3 301 B14R2.450 CC(=O)c1sc2ccccc2c1O Amb6360596 [0,1,0,0,0,0|2,0,0]=3 302 B14R2.450 CC(=O)c1sc2ccncc2c1N Amb23452733 [0,1,0,0,0,0|3,0,0]=4 303 B14R2.450 CC(=O)c1sc2cnccc2c1C Amb27215618 [0,1,0,0,0,0|3,0,0]=4 304 B14R2.450 CC(=O)c1sc2cnccc2c1N Amb18190614 [0,1,0,0,0,0|3,0,0]=4 305 B14R2.450 CC(=O)c1sc2ncccc2c1O Amb27636455 [0,1,0,0,0,0|3,0,0]=4 306 B14R2.450 CC(C)=C1Cc2ccccc2C1=O Amb1014344 [0,1,0,0,0,0|3,0,0]=4 307 B14R2.450 CC(C)=C1Nc2ccccc2C1=O Amb27791936 [0,1,0,0,0,0|2,0,0]=3 308 B14R2.450 CC(N)c1cc2ccccc2n1C Amb27442888 [0,1,0,0,0,0|2,0,1]=4 309 B14R2.450 CC(O)c1nc2ccccc2n1C Amb2470266 [0,1,0,0,0,0|2,0,1]=4 310 B14R2.450 CC1=C(C(=O)Cl)Cc2ccccc21 Amb26966947 [0,1,0,0,0,0|2,0,0]=3 311 B14R2.450 CC1=C(C(=O)O)Cc2ccccc21 Amb6201317 [0,1,0,0,0,0|1,0,0]=2 312 B14R2.450 CC1C(C(=O)O)=Cc2ccccc21 Amb8392929 [0,1,0,0,0,0|1,0,0]=2 313 B14R2.450 CC1c2ccccc2CC1C(=O)O Amb18127727 [0,1,0,0,0,0|1,0,2]=4 314 B14R2.450 CC1c2ccccc2OC1C(=O)O Amb33532147 [0,1,0,0,0,0|1,0,2]=4 315 B14R2.450 CN1c2ccccc2CC1C(=O)Cl Amb28286759 [0,1,0,0,0,0|1,0,2]=4 316 B14R2.450 CN1c2ccccc2CC1C(=O)O Amb28366047 [0,1,0,0,0,0|0,0,2]=3 317 B14R2.450 CN1c2ccccc2CC1C(=O)[O-] Amb33484063 [0,1,0,0,0,0|0,0,3]=4 318 B14R2.450 C[C@@H](N)c1cc2ccccc2n1C Amb24533858 [0,1,0,0,0,0|2,0,1]=4 319 B14R2.450 C[C@@H](O)c1cc2ccccc2n1C Amb33345401 [0,1,0,0,0,0|1,0,1]=3 320 B14R2.450 C[C@@H]1c2ccccc2C[C@@H]1C(=O)O Amb27817900 [0,1,0,0,0,0|1,0,2]=4 321 B14R2.450 C[C@H](N)c1cc2ccccc2n1C Amb27858330 [0,1,0,0,0,0|2,0,1]=4 322 B14R2.450 C[C@H](O)c1cc2ccccc2n1C Amb33345400 [0,1,0,0,0,0|1,0,1]=3 323 B14R2.450 C[C@H](O)c1nc2ccccc2n1C Amb10567264 [0,1,0,0,0,0|2,0,1]=4 324 B14R2.450 C[C@H]1c2ccccc2C[C@H]1C(=O)O Amb27858845 [0,1,0,0,0,0|1,0,2]=4 325 B14R2.450 C\C(N)=C1/Cc2ccccc2C1=O Amb27587153 [0,1,0,0,0,0|3,0,0]=4 326 B14R2.450 Cc1c(B(O)O)oc2ccccc12 Amb19649826 [0,1,0,0,0,0|2,0,1]=4 327 B14R2.450 Cc1c(C(=N)N)oc2ccccc12 Amb25082005 [0,1,0,0,0,0|3,0,0]=4 328 B14R2.450 Cc1c(C(=N)N)sc2ccccc12 Amb27816730 [0,1,0,0,0,0|3,0,0]=4 329 B14R2.450 Cc1c(C(=O)Cl)oc2ccccc12 Amb2721788 [0,1,0,0,0,0|2,0,0]=3 330 B14R2.450 Cc1c(C(=O)O)nc2ccccn12 Amb22587540 [0,1,0,0,0,0|1,0,1]=3 331 B14R2.450 Cc1c(C(=O)O)nc2ncccn12 Amb24178935 [0,1,0,0,0,0|2,0,1]=4 332 B14R2.450 Cc1c(C(=O)O)nn2ccccc12 Amb22751567 [0,1,0,0,0,0|1,0,1]=3 333 B14R2.450 Cc1c(C(=O)O)oc2ccccc12 Amb6335226 [0,1,0,0,0,0|1,0,0]=2 334 B14R2.450 Cc1c(C(=O)O)oc2cccnc12 Amb22372214 [0,1,0,0,0,0|2,0,0]=3 335 B14R2.450 Cc1c(C(=O)O)oc2cnccc12 Amb27863433 [0,1,0,0,0,0|2,0,0]=3 336 B14R2.450 Cc1c(C(=O)O)sc2ccccc12 Amb1219874 [0,1,0,0,0,0|1,0,0]=2 337 B14R2.450 Cc1c(C(=O)O)sc2ncccc12 Amb27433246 [0,1,0,0,0,0|2,0,0]=3 338 B14R2.450 Cc1c(C(=O)[O-])oc2ccccc12 Amb33513132 [0,1,0,0,0,0|1,0,1]=3 339 B14R2.450 Cc1c(C(C)O)oc2ccccc12 Amb9619603 [0,1,0,0,0,0|2,0,1]=4 340 B14R2.450 Cc1c(C(C)O)sc2ccccc12 Amb9619577 [0,1,0,0,0,0|2,0,1]=4 341 B14R2.450 Cc1c(C(N)=O)oc2ccccc12 Amb8998168 [0,1,0,0,0,0|2,0,0]=3 342 B14R2.450 Cc1c(C(N)=S)oc2ccccc12 Amb33372318 [0,1,0,0,0,0|2,1,0]=4 343 B14R2.450 Cc1c([C@@H](C)O)oc2ccccc12 Amb28249870 [0,1,0,0,0,0|2,0,1]=4 344 B14R2.450 Cc1c([C@@H](C)O)sc2ccccc12 Amb27971656 [0,1,0,0,0,0|2,0,1]=4 345 B14R2.450 Cc1c([C@H](C)O)oc2ccccc12 Amb26845319 [0,1,0,0,0,0|2,0,1]=4 346 B14R2.450 Cc1c([C@H](C)O)sc2ccccc12 Amb25776423 [0,1,0,0,0,0|2,0,1]=4 347 B14R2.450 Cc1c([N+](=O)[O-])sc2ccccc12 Amb28348734 [0,1,0,0,0,0|2,0,1]=4 348 B14R2.450 Cn1c(B(O)O)cc2ccccc21 Amb10069111 [0,1,0,0,0,0|1,0,1]=3 349 B14R2.450 Cn1c(B(O)O)cc2cccnc21 Amb25871179 [0,1,0,0,0,0|2,0,1]=4 350 B14R2.450 Cn1c(C(=N)N)cc2ccccc21 Amb27642738 [0,1,0,0,0,0|2,0,0]=3 351 B14R2.450 Cn1c(C(=O)Cl)cc2ccccc21 Amb19958210 [0,1,0,0,0,0|1,0,0]=2 352 B14R2.450 Cn1c(C(=O)O)cc2ccccc21 Amb1832457 [0,1,0,0,0,0|0,0,0]=1 353 B14R2.450 Cn1c(C(=O)O)cc2cccnc21 Amb18147767 [0,1,0,0,0,0|1,0,0]=2 354 B14R2.450 Cn1c(C(=O)O)cc2ccncc21 Amb24069757 [0,1,0,0,0,0|1,0,0]=2 355 B14R2.450 Cn1c(C(=O)O)cc2cncnc21 Amb18680931 [0,1,0,0,0,0|2,0,0]=3 356 B14R2.450 Cn1c(C(=O)O)nc2ccccc21 Amb2723073 [0,1,0,0,0,0|1,0,0]=2 357 B14R2.450 Cn1c(C(=O)O)nc2cccnc21 Amb8009398 [0,1,0,0,0,0|2,0,0]=3 358 B14R2.450 Cn1c(C(=O)O)nc2ccncc21 Amb28128262 [0,1,0,0,0,0|2,0,0]=3 359 B14R2.450 Cn1c(C(=O)O)nc2cnccc21 Amb18196329 [0,1,0,0,0,0|2,0,0]=3 360 B14R2.450 Cn1c(C(=O)O)nc2ncccc21 Amb28396634 [0,1,0,0,0,0|2,0,0]=3 361 B14R2.450 Cn1c(C(=O)O)pc2ccccc21 Amb28291635 [0,1,0,0,0,0|1,0,0]=2 362 B14R2.450 Cn1c(C(=O)[O-])nc2ccccc21 Amb30982512 [0,1,0,0,0,0|1,0,1]=3 363 B14R2.450 Cn1c(C(N)=O)cc2ccccc21 Amb2613608 [0,1,0,0,0,0|1,0,0]=2 364 B14R2.450 Cn1c(C(N)=S)cc2ccccc21 Amb25241239 [0,1,0,0,0,0|1,1,0]=3 365 B14R2.450 Cn1c(S(=O)[O-])cc2ccccc21 Amb32755499 [0,1,0,0,0,0|1,0,1]=3 366 B14R2.450 Cn1c([N+](=O)[O-])cc2ccccc21 Amb27479902 [0,1,0,0,0,0|1,0,1]=3 367 B14R2.450 Cn1c([N+](=O)[O-])nc2ccccc21 Amb25924191 [0,1,0,0,0,0|2,0,1]=4 368 B14R2.450 N=C(N)c1sc2ccccc2c1O Amb27803451 [0,1,0,0,0,0|3,0,0]=4 369 B14R2.450 NC(=O)C1=Cc2ccccc2S1=O Amb27796206 [0,1,0,0,0,0|2,0,0]=3 370 B14R2.450 NC(=O)C1Cc2ccccc2C1=O Amb25111277 [0,1,0,0,0,0|2,0,1]=4 371 B14R2.450 NC(=O)N1Sc2ccccc2C1=O Amb27799594 [0,1,0,0,0,0|3,0,0]=4 372 B14R2.450 NC(=O)c1cc2ccccc2n1N Amb28073994 [0,1,0,0,0,0|1,0,0]=2 373 B14R2.450 NC(=O)c1nc2ccccn2c1F Amb28400367 [0,1,0,0,0,0|2,0,1]=4 374 B14R2.450 NC(=O)c1nc2ccccn2c1N Amb10075200 [0,1,0,0,0,0|2,0,1]=4 375 B14R2.450 NC(=O)c1oc2ccccc2c1Br Amb32671511 [0,1,0,0,0,0|2,0,0]=3 376 B14R2.450 NC(=O)c1oc2ccccc2c1N Amb1039834 [0,1,0,0,0,0|2,0,0]=3 377 B14R2.450 NC(=O)c1oc2ncccc2c1N Amb22641026 [0,1,0,0,0,0|3,0,0]=4 378 B14R2.450 NC(=O)c1sc2ccccc2c1Br Amb27748971 [0,1,0,0,0,0|2,0,0]=3 379 B14R2.450 NC(=O)c1sc2ccccc2c1Cl Amb6366038 [0,1,0,0,0,0|2,0,0]=3 380 B14R2.450 NC(=O)c1sc2ccccc2c1N Amb2614585 [0,1,0,0,0,0|2,0,0]=3 381 B14R2.450 NC(=O)c1sc2ccncc2c1N Amb23452745 [0,1,0,0,0,0|3,0,0]=4 382 B14R2.450 NC(=O)c1sc2ncccc2c1Br Amb28052787 [0,1,0,0,0,0|3,0,0]=4 383 B14R2.450 NC(=O)c1sc2ncccc2c1N Amb1095229 [0,1,0,0,0,0|3,0,0]=4 384 B14R2.450 NC(=O)c1sc2ncccc2c1O Amb27442040 [0,1,0,0,0,0|3,0,0]=4 385 B14R2.450 NC(=S)c1oc2ccccc2c1N Amb27236788 [0,1,0,0,0,0|2,1,0]=4 386 B14R2.450 NC1c2ccccc2CC1C(=O)O Amb27862336 [0,1,0,0,0,0|1,0,2]=4 387 B14R2.450 NC1c2ccccc2OC1C(=O)O Amb9783178 [0,1,0,0,0,0|1,0,2]=4 388 B14R2.450 N[C@H]1c2ccccc2C[C@H]1C(=O)O Amb1993730 [0,1,0,0,0,0|1,0,2]=4 389 B14R2.450 N[C@H]1c2ccccc2C[C@H]1C(=O)O Amb1993769 [0,1,0,0,0,0|1,0,2]=4 390 B14R2.450 Nc1c(C(=O)O)nc2ccccn12 Amb18631756 [0,1,0,0,0,0|1,0,1]=3 391 B14R2.450 Nc1c(C(=O)O)nn2ccccc12 Amb28076653 [0,1,0,0,0,0|1,0,1]=3 392 B14R2.450 Nc1c(C(=O)O)nn2cccnc12 Amb18195655 [0,1,0,0,0,0|2,0,1]=4 393 B14R2.450 Nc1c(C(=O)O)oc2ccccc12 Amb18118466 [0,1,0,0,0,0|1,0,0]=2 394 B14R2.450 Nc1c(C(=O)O)oc2ncccc12 Amb18683855 [0,1,0,0,0,0|2,0,0]=3 395 B14R2.450 Nc1c(C(=O)O)sc2ccccc12 Amb845439 [0,1,0,0,0,0|1,0,0]=2 396 B14R2.450 Nc1c(C(=O)O)sc2cccnc12 Amb13890619 [0,1,0,0,0,0|2,0,0]=3 397 B14R2.450 Nc1c(C(=O)O)sc2cnccc12 Amb18189949 [0,1,0,0,0,0|2,0,0]=3 398 B14R2.450 Nc1c(C(=O)O)sc2ncccc12 Amb1915158 [0,1,0,0,0,0|2,0,0]=3 399 B14R2.450 Nc1c(C(=O)O)sc2nccnc12 Amb2724994 [0,1,0,0,0,0|3,0,0]=4 400 B14R2.450 Nc1c(C(=O)O)sc2ncncc12 Amb18680435 [0,1,0,0,0,0|3,0,0]=4 401 B14R2.450 Nc1c([N+](=O)[O-])oc2ccccc12 Amb22749458 [0,1,0,0,0,0|2,0,1]=4 402 B14R2.450 Nc1c([N+](=O)[O-])sc2ccccc12 Amb4056908 [0,1,0,0,0,0|2,0,1]=4 403 B14R2.450 O=C(Cl)c1sc2ccccc2c1Cl Amb6403085 [0,1,0,0,0,0|2,0,0]=3 404 B14R2.450 O=C(O)C1=C(Cl)c2ccccc2C1 Amb27266149 [0,1,0,0,0,0|1,0,0]=2 405 B14R2.450 O=C(O)C1=Cc2ccccc2C1O Amb26471384 [0,1,0,0,0,0|1,0,0]=2 406 B14R2.450 O=C(O)C1Nc2ccccc2C1=O Amb17594502 [0,1,0,0,0,0|0,0,1]=2 407 B14R2.450 O=C(O)[C@@H]1Cc2ccccc2S1=O Amb27974177 [0,1,0,0,0,0|1,0,2]=4 408 B14R2.450 O=C(O)c1[se]c2ccccc2c1Br Amb1147928 [0,1,0,0,0,0|1,0,0]=2 409 B14R2.450 O=C(O)c1nc2ccccc2n1O Amb2795925 [0,1,0,0,0,0|1,0,0]=2 410 B14R2.450 O=C(O)c1nc2ccccn2c1Br Amb8450125 [0,1,0,0,0,0|1,0,1]=3 411 B14R2.450 O=C(O)c1nc2ccccn2c1Cl Amb10070236 [0,1,0,0,0,0|1,0,1]=3 412 B14R2.450 O=C(O)c1nc2ccccn2c1F Amb20623524 [0,1,0,0,0,0|1,0,1]=3 413 B14R2.450 O=C(O)c1nc2ccccn2c1F Amb6315794 [0,1,0,0,0,0|1,0,1]=3 414 B14R2.450 O=C(O)c1nc2ccccn2c1I Amb6751907 [0,1,0,0,0,0|1,0,1]=3 415 B14R2.450 O=C(O)c1nc2ccccn2c1O Amb28316768 [0,1,0,0,0,0|1,0,1]=3 416 B14R2.450 O=C(O)c1nc2cccnn2c1Br Amb27609201 [0,1,0,0,0,0|2,0,1]=4 417 B14R2.450 O=C(O)c1nc2ncccn2c1Cl Amb25328604 [0,1,0,0,0,0|2,0,1]=4 418 B14R2.450 O=C(O)c1nc2ncccn2c1I Amb22495063 [0,1,0,0,0,0|2,0,1]=4 419 B14R2.450 O=C(O)c1nn2ccccc2c1Br Amb10602276 [0,1,0,0,0,0|1,0,1]=3 420 B14R2.450 O=C(O)c1nn2cccnc2c1Br Amb1946294 [0,1,0,0,0,0|2,0,1]=4 421 B14R2.450 O=C(O)c1nn2cccnc2c1Cl Amb2721755 [0,1,0,0,0,0|2,0,1]=4 422 B14R2.450 O=C(O)c1nn2ncccc2c1Br Amb28436392 [0,1,0,0,0,0|2,0,1]=4 423 B14R2.450 O=C(O)c1nn2ncccc2c1Cl Amb27847253 [0,1,0,0,0,0|2,0,1]=4 424 B14R2.450 O=C(O)c1oc2ccccc2c1Br Amb18136322 [0,1,0,0,0,0|1,0,0]=2 425 B14R2.450 O=C(O)c1oc2ccccc2c1Cl Amb18188662 [0,1,0,0,0,0|1,0,0]=2 426 B14R2.450 O=C(O)c1oc2cnccc2c1Br Amb27209753 [0,1,0,0,0,0|2,0,0]=3 427 B14R2.450 O=C(O)c1oc2ncccc2c1O Amb27409737 [0,1,0,0,0,0|2,0,0]=3 428 B14R2.450 O=C(O)c1oc2nccnc2c1Cl Amb18187857 [0,1,0,0,0,0|3,0,0]=4 429 B14R2.450 O=C(O)c1sc2ccccc2c1Br Amb20672009 [0,1,0,0,0,0|1,0,0]=2 430 B14R2.450 O=C(O)c1sc2ccccc2c1Cl Amb6335588 [0,1,0,0,0,0|1,0,0]=2 431 B14R2.450 O=C(O)c1sc2ccccc2c1F Amb28196507 [0,1,0,0,0,0|1,0,0]=2 432 B14R2.450 O=C(O)c1sc2ccccc2c1I Amb22751342 [0,1,0,0,0,0|1,0,0]=2 433 B14R2.450 O=C(O)c1sc2ccccc2c1O Amb16230697 [0,1,0,0,0,0|1,0,0]=2 434 B14R2.450 O=C(O)c1sc2ccccc2c1S Amb18131197 [0,1,0,0,0,0|1,0,0]=2 435 B14R2.450 O=C(O)c1sc2cccnc2c1Br Amb27587207 [0,1,0,0,0,0|2,0,0]=3 436 B14R2.450 O=C(O)c1sc2cccnc2c1Cl Amb24578851 [0,1,0,0,0,0|2,0,0]=3 437 B14R2.450 O=C(O)c1sc2ccncc2c1Cl Amb27962564 [0,1,0,0,0,0|2,0,0]=3 438 B14R2.450 O=C(O)c1sc2ncccc2c1Br Amb18692442 [0,1,0,0,0,0|2,0,0]=3 439 B14R2.450 O=C(O)c1sc2ncccc2c1Cl Amb5721089 [0,1,0,0,0,0|2,0,0]=3 440 B14R2.450 O=C(O)c1sc2nccnc2c1Cl Amb18173914 [0,1,0,0,0,0|3,0,0]=4 441 B14R2.450 O=C([O-])c1nc2ccccn2c1Br Amb33457905 [0,1,0,0,0,0|1,0,2]=4 442 B14R2.450 O=S([O-])c1oc2ccccc2c1Br Amb32755476 [0,1,0,0,0,0|2,0,1]=4 443 B14R2.450 O=S([O-])c1sc2ccccc2c1Cl Amb32754583 [0,1,0,0,0,0|2,0,1]=4 444 B14R2.450 O=[N+]([O-])c1oc2ccccc2c1Br Amb22749450 [0,1,0,0,0,0|2,0,1]=4 445 B14R2.450 O=[N+]([O-])c1sc2ccccc2c1Br Amb3987518 [0,1,0,0,0,0|2,0,1]=4 446 B14R2.789 CC1(C(=O)O)Cc2ccccc2C1 Amb33548001 [0,1,0,0,0,0|1,0,2]=4 447 B14R2.789 CC1(C(=O)O)Cc2ccccc2N1 Amb24443112 [0,1,0,0,0,0|0,0,2]=3 448 B14R2.789 CC1(C(=O)O)Cc2ccccc2N1 Amb32675570 [0,1,0,0,0,0|0,0,2]=3 449 B14R2.789 CC1(C(=O)O)Cc2ccccc2O1 Amb18128109 [0,1,0,0,0,0|1,0,2]=4 450 B14R2.789 NC1(C(=O)O)Cc2ccccc2C1 Amb2695136 [0,1,0,0,0,0|1,0,2]=4 451 B14R2.789 NC1(C(=O)O)Cc2ccccc2C1 Amb8515308 [0,1,0,0,0,0|1,0,2]=4 452 B14R2.789 NC1(C(=O)O)Cc2ccccc2N1 Amb25936983 [0,1,0,0,0,0|0,0,2]=3 453 B14R2.789 O=C(O)C1(F)Cc2ccccc2C1 Amb28146713 [0,1,0,0,0,0|1,0,2]=4 454 B14R2.789 O=C(O)C1(O)Cc2ccccc2C1 Amb18944711 [0,1,0,0,0,0|1,0,2]=4 455 B14R2.972 C#CC(O)c1cc2ccccc2o1 Amb27644320 [0,1,0,0,0,0|2,0,1]=4 456 B14R2.972 C=C(CBr)c1cc2ccccc2s1 Amb33336626 [0,1,0,0,0,0|3,0,0]=4 457 B14R2.972 C=C(CCl)c1cc2ccccc2s1 Amb33258516 [0,1,0,0,0,0|3,0,0]=4 458 B14R2.972 C=C(CN)c1cc2ccccc2s1 Amb26443559 [0,1,0,0,0,0|3,0,0]=4 459 B14R2.972 C=CC(=O)c1cc2ccccc2s1 Amb25674040 [0,1,0,0,0,0|2,0,0]=3 460 B14R2.972 C=CC(=O)c1cn2ccccc2n1 Amb33447803 [0,1,0,0,0,0|2,0,1]=4 461 B14R2.972 C=CC(=O)c1nc2ccccc2s1 Amb27159370 [0,1,0,0,0,0|2,0,1]=4 462 B14R2.972 C=CC(O)c1cc2ccccc2o1 Amb27781067 [0,1,0,0,0,0|2,0,1]=4 463 B14R2.972 C=CC(O)c1cc2ccccc2s1 Amb24431111 [0,1,0,0,0,0|2,0,1]=4 464 B14R2.972 CC(C=O)c1cc2ccccc2s1 Amb24533768 [0,1,0,0,0,0|2,0,1]=4 465 B14R2.972 CC(NO)c1cc2ccccc2s1 Amb8396550 [0,1,0,0,0,0|2,0,1]=4 466 B14R2.972 CC(ON)c1cc2ccccc2s1 Amb33312842 [0,1,0,0,0,0|2,0,1]=4 467 B14R2.972 CCC(=O)c1nc2ccccc2s1 Amb19649815 [0,1,0,0,0,0|2,0,1]=4 468 B14R2.972 CCC(O)c1cc2ccccc2s1 Amb27489232 [0,1,0,0,0,0|2,0,1]=4 469 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 Amb28249973 [0,1,0,0,0,0|2,0,0]=3 470 B14R2.972 CNC(=O)C1Cc2ccccc2N1 Amb28600354 [0,1,0,0,0,0|1,0,2]=4 471 B14R2.972 CNC(=O)C1Cc2ccccc2N1 Amb7173129 [0,1,0,0,0,0|1,0,2]=4 472 B14R2.972 CNC(=O)[C@@H]1Cc2ccccc2N1 Amb9753471 [0,1,0,0,0,0|1,0,2]=4 473 B14R2.972 CNC(=O)c1cc2ccccc2o1 Amb1089716 [0,1,0,0,0,0|2,0,0]=3 474 B14R2.972 CNC(=O)c1cc2ccccc2s1 Amb8330181 [0,1,0,0,0,0|2,0,0]=3 475 B14R2.972 CNC(=O)c1cc2ccccn2n1 Amb33718817 [0,1,0,0,0,0|2,0,1]=4 476 B14R2.972 CNC(=O)c1cn2ccccc2n1 Amb20668178 [0,1,0,0,0,0|2,0,1]=4 477 B14R2.972 CNC(=O)c1nc2ccccc2o1 Amb27772628 [0,1,0,0,0,0|2,0,1]=4 478 B14R2.972 CNC(=O)c1nc2ccccc2s1 Amb27604261 [0,1,0,0,0,0|2,0,1]=4 479 B14R2.972 COC(=N)c1cc2ccccc2o1 Amb18180472 [0,1,0,0,0,0|2,0,0]=3 480 B14R2.972 COC(=N)c1cn2ccccc2n1 Amb27594032 [0,1,0,0,0,0|2,0,1]=4 481 B14R2.972 COC(=N)c1nc2ccccc2o1 Amb8428185 [0,1,0,0,0,0|2,0,1]=4 482 B14R2.972 COC(=O)C1=CN2C=CC=CC2N1 Amb24058254 [0,1,0,0,0,0|1,0,1]=3 483 B14R2.972 COC(=O)C1=Cc2ccccc2C1 Amb25776174 [0,1,0,0,0,0|1,0,0]=2 484 B14R2.972 COC(=O)C1Cc2ccccc2C1 Amb21859222 [0,1,0,0,0,0|1,0,2]=4 485 B14R2.972 COC(=O)C1Cc2ccccc2N1 Amb2724864 [0,1,0,0,0,0|0,0,2]=3 486 B14R2.972 COC(=O)C1Cc2ccccc2N1 Amb33804592 [0,1,0,0,0,0|0,0,2]=3 487 B14R2.972 COC(=O)C1Cc2ccccc2O1 Amb9246802 [0,1,0,0,0,0|1,0,2]=4 488 B14R2.972 COC(=O)C1Cc2cccnc2N1 Amb25108180 [0,1,0,0,0,0|1,0,2]=4 489 B14R2.972 COC(=O)C1Cc2cnccc2N1 Amb28290381 [0,1,0,0,0,0|1,0,2]=4 490 B14R2.972 COC(=O)C1Oc2ccccc2O1 Amb9782874 [0,1,0,0,0,0|2,0,1]=4 491 B14R2.972 COC(=O)N1Cc2ccccc2C1 Amb8439541 [0,1,0,0,0,0|2,0,1]=4 492 B14R2.972 COC(=O)[C@@H]1Cc2ccccc2N1 Amb18180641 [0,1,0,0,0,0|0,0,2]=3 493 B14R2.972 COC(=O)[C@@H]1Cc2ccccc2N1 Amb33716840 [0,1,0,0,0,0|0,0,2]=3 494 B14R2.972 COC(=O)[C@H]1Cc2ccccc2N1 Amb25751911 [0,1,0,0,0,0|0,0,2]=3 495 B14R2.972 COC(=O)c1cc2ccccc2o1 Amb2438530 [0,1,0,0,0,0|1,0,0]=2 496 B14R2.972 COC(=O)c1cc2ccccc2s1 Amb1089421 [0,1,0,0,0,0|1,0,0]=2 497 B14R2.972 COC(=O)c1cc2ccccn2c1 Amb19335913 [0,1,0,0,0,0|2,0,0]=3 498 B14R2.972 COC(=O)c1cc2ccccn2n1 Amb10067445 [0,1,0,0,0,0|1,0,1]=3 499 B14R2.972 COC(=O)c1cc2cccnc2s1 Amb10975342 [0,1,0,0,0,0|2,0,0]=3 500 B14R2.972 COC(=O)c1cc2ccncc2s1 Amb20075908 [0,1,0,0,0,0|2,0,0]=3 501 B14R2.972 COC(=O)c1cc2cnccc2s1 Amb25897258 [0,1,0,0,0,0|2,0,0]=3 502 B14R2.972 COC(=O)c1cc2cnccn2c1 Amb28289810 [0,1,0,0,0,0|3,0,0]=4 503 B14R2.972 COC(=O)c1cc2cncnc2s1 Amb26449250 [0,1,0,0,0,0|3,0,0]=4 504 B14R2.972 COC(=O)c1cc2ncccc2s1 Amb9677683 [0,1,0,0,0,0|2,0,0]=3 505 B14R2.972 COC(=O)c1cc2ncccn2n1 Amb33527274 [0,1,0,0,0,0|2,0,1]=4 506 B14R2.972 COC(=O)c1cc2nccnc2s1 Amb24179185 [0,1,0,0,0,0|3,0,0]=4 507 B14R2.972 COC(=O)c1cn2cccnc2n1 Amb9173752 [0,1,0,0,0,0|2,0,1]=4 508 B14R2.972 COC(=O)c1cn2ccncc2n1 Amb22898996 [0,1,0,0,0,0|2,0,1]=4 509 B14R2.972 COC(=O)c1nc2ccccc2o1 Amb19958887 [0,1,0,0,0,0|1,0,1]=3 510 B14R2.972 COC(=O)c1nc2cccnc2s1 Amb24394990 [0,1,0,0,0,0|2,0,1]=4 511 B14R2.972 COC(=O)c1nc2ccncc2s1 Amb27868791 [0,1,0,0,0,0|2,0,1]=4 512 B14R2.972 COC(=O)c1nc2cnccc2s1 Amb25697585 [0,1,0,0,0,0|2,0,1]=4 513 B14R2.972 COC(=O)c1nc2ncccc2o1 Amb28434849 [0,1,0,0,0,0|2,0,1]=4 514 B14R2.972 COC(=S)c1cc2ccccc2o1 Amb27670058 [0,1,0,0,0,0|1,1,0]=3 515 B14R2.972 CSC(=O)c1cc2ccccc2s1 Amb27966177 [0,1,0,0,0,0|1,1,0]=3 516 B14R2.972 C[C@H](CO)c1cc2ccccc2o1 Amb27978431 [0,1,0,0,0,0|2,0,1]=4 517 B14R2.972 C[C@H](CO)c1cc2ccccc2s1 Amb27218965 [0,1,0,0,0,0|2,0,1]=4 518 B14R2.972 C\C(=N/O)c1cc2ccccc2o1 Amb1152019 [0,1,0,0,0,0|2,0,0]=3 519 B14R2.972 C\C(=N/O)c1cc2ccccc2s1 Amb8396551 [0,1,0,0,0,0|2,0,0]=3 520 B14R2.972 C\C(=N/O)c1cn2ccccc2n1 Amb29845484 [0,1,0,0,0,0|2,0,1]=4 521 B14R2.972 C\C(=N\N)c1cc2ccccc2s1 Amb28291779 [0,1,0,0,0,0|3,0,0]=4 522 B14R2.972 C\C(=N\O)c1cc2ccccn2c1 Amb27862925 [0,1,0,0,0,0|3,0,0]=4 523 B14R2.972 N#CC(=O)c1nc2ccccc2s1 Amb25855042 [0,1,0,0,0,0|2,0,1]=4 524 B14R2.972 N#C[C@@H](O)c1cc2ccccc2o1 Amb27484716 [0,1,0,0,0,0|2,0,1]=4 525 B14R2.972 N#C[C@H](O)c1cc2ccccc2s1 Amb27588972 [0,1,0,0,0,0|2,0,1]=4 526 B14R2.972 NC(CO)c1cc2ccccc2s1 Amb18190225 [0,1,0,0,0,0|2,0,1]=4 527 B14R2.972 NCC(=O)c1cc2ccccc2o1 Amb7094329 [0,1,0,0,0,0|2,0,0]=3 528 B14R2.972 NCC(=O)c1cc2ccccc2s1 Amb25900376 [0,1,0,0,0,0|2,0,0]=3 529 B14R2.972 NCC(=O)c1cc2ccccc2s1 Amb32674584 [0,1,0,0,0,0|2,0,0]=3 530 B14R2.972 NCC(=O)c1cn2ccccc2n1 Amb33148744 [0,1,0,0,0,0|2,0,1]=4 531 B14R2.972 NCC(=O)c1nc2ccccc2s1 Amb24106010 [0,1,0,0,0,0|2,0,1]=4 532 B14R2.972 NCC(O)c1cc2ccccc2s1 Amb2684323 [0,1,0,0,0,0|2,0,1]=4 533 B14R2.972 NC[C@@H](O)c1cc2ccccc2s1 Amb25926361 [0,1,0,0,0,0|2,0,1]=4 534 B14R2.972 NC[C@H](O)c1cc2ccccc2s1 Amb27809180 [0,1,0,0,0,0|2,0,1]=4 535 B14R2.972 NC[C@H](O)c1cc2ccccc2s1 Amb32757511 [0,1,0,0,0,0|2,0,1]=4 536 B14R2.972 NNC(=O)[C@@H]1Cc2ccccc2N1 Amb27239419 [0,1,0,0,0,0|1,0,2]=4 537 B14R2.972 NNC(=O)c1cc2ccccc2o1 Amb1830252 [0,1,0,0,0,0|2,0,0]=3 538 B14R2.972 NNC(=O)c1cc2ccccc2s1 Amb2722617 [0,1,0,0,0,0|2,0,0]=3 539 B14R2.972 NNC(=O)c1cc2cccnc2s1 Amb30869619 [0,1,0,0,0,0|3,0,0]=4 540 B14R2.972 NNC(=O)c1cn2ccccc2n1 Amb2429740 [0,1,0,0,0,0|2,0,1]=4 541 B14R2.972 NNC(=O)c1nc2ccccc2o1 Amb22755855 [0,1,0,0,0,0|2,0,1]=4 542 B14R2.972 NNC(=O)c1nc2ccccc2s1 Amb349572 [0,1,0,0,0,0|2,0,1]=4 543 B14R2.972 N[C@@H](CO)c1cc2ccccc2o1 Amb27859534 [0,1,0,0,0,0|2,0,1]=4 544 B14R2.972 N[C@@H](CO)c1cc2ccccc2s1 Amb26552390 [0,1,0,0,0,0|2,0,1]=4 545 B14R2.972 N[C@H](CO)c1cc2ccccc2s1 Amb26413871 [0,1,0,0,0,0|2,0,1]=4 546 B14R2.972 N\C(=N/O)c1cc2ccccc2o1 Amb8834092 [0,1,0,0,0,0|2,0,0]=3 547 B14R2.972 N\C(=N/O)c1cn2ccccc2n1 Amb15701318 [0,1,0,0,0,0|2,0,1]=4 548 B14R2.972 O=C(CBr)c1cc2ccccc2o1 Amb1103621 [0,1,0,0,0,0|2,0,0]=3 549 B14R2.972 O=C(CBr)c1cc2ccccc2s1 Amb2723177 [0,1,0,0,0,0|2,0,0]=3 550 B14R2.972 O=C(CBr)c1cn2ccccc2n1 Amb28194153 [0,1,0,0,0,0|2,0,1]=4 551 B14R2.972 O=C(CBr)c1nc2ccccc2o1 Amb27161127 [0,1,0,0,0,0|2,0,1]=4 552 B14R2.972 O=C(CBr)c1nc2ccccc2s1 Amb2723095 [0,1,0,0,0,0|2,0,1]=4 553 B14R2.972 O=C(CCl)c1cc2ccccc2o1 Amb5559104 [0,1,0,0,0,0|2,0,0]=3 554 B14R2.972 O=C(CCl)c1nc2ccccc2s1 Amb26645217 [0,1,0,0,0,0|2,0,1]=4 555 B14R2.972 O=C(CF)c1nc2ccccc2s1 Amb27223305 [0,1,0,0,0,0|2,0,1]=4 556 B14R2.972 O=C(CO)c1cc2ccccc2o1 Amb18808836 [0,1,0,0,0,0|1,0,0]=2 557 B14R2.972 O=C(CO)c1cc2ccccc2s1 Amb27462459 [0,1,0,0,0,0|1,0,0]=2 558 B14R2.972 O=C(CO)c1nc2ccccc2s1 Amb26051141 [0,1,0,0,0,0|1,0,1]=3 559 B14R2.972 O=C(NO)[C@@H]1Cc2ccccc2N1 Amb27765437 [0,1,0,0,0,0|0,0,2]=3 560 B14R2.972 O=C(NO)c1cc2ccccc2o1 Amb6279288 [0,1,0,0,0,0|1,0,0]=2 561 B14R2.972 O=CC(=O)c1cc2ccccc2o1 Amb10067948 [0,1,0,0,0,0|1,0,1]=3 562 B14R2.972 O=CC(=O)c1cc2ccccc2o1 Amb18825262 [0,1,0,0,0,0|1,0,1]=3 563 B14R2.972 O=CC(=O)c1cc2ccccc2s1 Amb10067949 [0,1,0,0,0,0|1,0,1]=3 564 B14R2.972 O=CC(=O)c1cc2ccccc2s1 Amb20671215 [0,1,0,0,0,0|1,0,1]=3 565 B14R2.972 OC(CBr)c1cc2ccccc2s1 Amb25083755 [0,1,0,0,0,0|2,0,1]=4 566 B14R2.972 OC(CCl)c1cc2ccccc2o1 Amb24368139 [0,1,0,0,0,0|2,0,1]=4 567 B14R2.972 OC(CCl)c1cc2ccccc2s1 Amb25161343 [0,1,0,0,0,0|2,0,1]=4 568 B14R2.972 OC(CF)c1cc2ccccc2s1 Amb33312823 [0,1,0,0,0,0|2,0,1]=4 569 B14R2.972 OCC(O)c1cc2ccccc2s1 Amb25235630 [0,1,0,0,0,0|1,0,2]=4 570 B14R2.972 OC[C@@H](O)c1cc2ccccc2s1 Amb27775519 [0,1,0,0,0,0|1,0,2]=4 571 B14R2.972 OC[C@H](O)c1cc2ccccc2o1 Amb27605455 [0,1,0,0,0,0|1,0,2]=4 572 B14R2.972 OC[C@H](O)c1cc2ccccc2s1 Amb27652840 [0,1,0,0,0,0|1,0,2]=4 573 B14R2.972 O[C@@H](CBr)c1cc2ccccc2s1 Amb28125213 [0,1,0,0,0,0|2,0,1]=4 574 B14R2.972 O[C@H](CCl)c1cc2ccccc2o1 Amb25973728 [0,1,0,0,0,0|2,0,1]=4 575 B14R2.972 O\N=C(\Cl)c1cc2ccccc2o1 Amb27254685 [0,1,0,0,0,0|2,0,0]=3 576 B14R2.972 O\N=C(\Cl)c1cn2ccccc2n1 Amb27618004 [0,1,0,0,0,0|2,0,1]=4 577 B14R2.972 O\N=C(\Cl)c1nc2ccccc2o1 Amb27215467 [0,1,0,0,0,0|2,0,1]=4 578 B14R2.3129 CC(C)(O)c1cc2ccccc2s1 Amb24406294 [0,1,0,0,0,0|2,0,1]=4 579 B14R2.3129 CS(=O)(=O)c1cc2ccccc2o1 Amb28052828 [0,1,0,0,0,0|2,0,1]=4 580 B14R2.3129 C[Si](C)(O)c1cc2ccccc2o1 Amb28129881 [0,1,0,0,0,0|2,1,0]=4 581 B14R2.3129 NS(=O)(=O)C1=Cc2ccccc2C1 Amb27249182 [0,1,0,0,0,0|2,0,1]=4 582 B14R2.3129 NS(=O)(=O)c1cc2ccccc2o1 Amb24061115 [0,1,0,0,0,0|2,0,1]=4 583 B14R2.3129 NS(=O)(=O)c1cc2ccccc2s1 Amb26932375 [0,1,0,0,0,0|2,0,1]=4 584 B14R2.3129 O=S(=O)(Cl)C1=Cc2ccccc2C1 Amb9204168 [0,1,0,0,0,0|2,0,1]=4 585 B14R2.3129 O=S(=O)(Cl)c1cc2ccccc2o1 Amb17665364 [0,1,0,0,0,0|2,0,1]=4 586 B14R2.3129 O=S(=O)(Cl)c1cc2ccccc2s1 Amb2723176 [0,1,0,0,0,0|2,0,1]=4 587 B14R2.3129 O=S(=O)(F)c1cc2ccccc2o1 Amb32717001 [0,1,0,0,0,0|2,0,1]=4 588 B14R2.3129 O=S(=O)(F)c1cc2ccccc2s1 Amb33053492 [0,1,0,0,0,0|2,0,1]=4 589 B14R2.3129 O=S(=O)(O)C1Cc2ccccc2N1 Amb25834326 [0,1,0,0,0,0|1,0,2]=4 590 B14R2.3129 O=S(=O)(O)c1nc2ccccc2o1 Amb22298413 [0,1,0,0,0,0|2,0,1]=4 591 B14R2.3129 O=S(=O)(O)c1nc2ccccc2s1 Amb4004400 [0,1,0,0,0,0|2,0,1]=4 592 B14R2.4529 C=C(C)c1cc2cc(Br)ccc2o1 Amb27829805 [0,1,0,0,0,0|3,0,0]=4 593 B14R2.4529 C=C(C)c1cc2cc(O)ccc2o1 Amb27463980 [0,1,0,0,0,0|3,0,0]=4 594 B14R2.4529 CC(=O)c1cc2cc(Br)ccc2o1 Amb1152978 [0,1,0,0,0,0|2,0,0]=3 595 B14R2.4529 CC(=O)c1cc2cc(C)ccc2o1 Amb7094340 [0,1,0,0,0,0|2,0,0]=3 596 B14R2.4529 CC(=O)c1cc2cc(Cl)ccc2o1 Amb1651066 [0,1,0,0,0,0|2,0,0]=3 597 B14R2.4529 CC(=O)c1cc2cc(Cl)ccc2s1 Amb27971189 [0,1,0,0,0,0|2,0,0]=3 598 B14R2.4529 CC(=O)c1cc2cc(F)ccc2o1 Amb17334032 [0,1,0,0,0,0|2,0,0]=3 599 B14R2.4529 CC(=O)c1cc2cc(F)ccc2s1 Amb28289182 [0,1,0,0,0,0|2,0,0]=3 600 B14R2.4529 CC(=O)c1cc2cc(N)ccc2o1 Amb3429917 [0,1,0,0,0,0|2,0,0]=3 601 B14R2.4529 CC(=O)c1cc2cc(N)ccc2s1 Amb18670780 [0,1,0,0,0,0|2,0,0]=3 602 B14R2.4529 CC(=O)c1cc2cc(N)cnc2s1 Amb18190679 [0,1,0,0,0,0|3,0,0]=4 603 B14R2.4529 CC(=O)c1cc2cc(O)ccc2o1 Amb3483402 [0,1,0,0,0,0|2,0,0]=3 604 B14R2.4529 CC(=O)c1cc2cc(O)ccc2s1 Amb18129949 [0,1,0,0,0,0|2,0,0]=3 605 B14R2.4529 CC(=O)c1cc2ccc(Br)cc2o1 Amb18157662 [0,1,0,0,0,0|2,0,0]=3 606 B14R2.4529 CC(=O)c1cc2ccc(Br)cc2s1 Amb25094514 [0,1,0,0,0,0|2,0,0]=3 607 B14R2.4529 CC(=O)c1cc2ccc(C)cc2o1 Amb7094336 [0,1,0,0,0,0|2,0,0]=3 608 B14R2.4529 CC(=O)c1cc2ccc(C)nc2s1 Amb18190836 [0,1,0,0,0,0|3,0,0]=4 609 B14R2.4529 CC(=O)c1cc2ccc(Cl)cc2o1 Amb18189658 [0,1,0,0,0,0|2,0,0]=3 610 B14R2.4529 CC(=O)c1cc2ccc(Cl)cc2s1 Amb25352000 [0,1,0,0,0,0|2,0,0]=3 611 B14R2.4529 CC(=O)c1cc2ccc(F)cc2o1 Amb18824925 [0,1,0,0,0,0|2,0,0]=3 612 B14R2.4529 CC(=O)c1cc2ccc(F)cc2s1 Amb27812471 [0,1,0,0,0,0|2,0,0]=3 613 B14R2.4529 CC(=O)c1cc2ccc(N)cc2s1 Amb18670791 [0,1,0,0,0,0|2,0,0]=3 614 B14R2.4529 CC(=O)c1cc2ccc(O)cc2o1 Amb26842369 [0,1,0,0,0,0|2,0,0]=3 615 B14R2.4529 CC(=O)c1cc2nc(C)ccc2o1 Amb20623777 [0,1,0,0,0,0|3,0,0]=4 616 B14R2.4529 CC(=O)c1cc2nc(Cl)ccc2s1 Amb33221066 [0,1,0,0,0,0|3,0,0]=4 617 B14R2.4529 CC(=O)c1cn2cc(C)ccc2n1 Amb28314336 [0,1,0,0,0,0|2,0,1]=4 618 B14R2.4529 CC(=O)c1cn2cc(Cl)ccc2n1 Amb27880105 [0,1,0,0,0,0|2,0,1]=4 619 B14R2.4529 CC(=O)c1cn2cc(F)ccc2n1 Amb25670193 [0,1,0,0,0,0|2,0,1]=4 620 B14R2.4529 CC(=O)c1cn2ccc(C)cc2n1 Amb25841092 [0,1,0,0,0,0|2,0,1]=4 621 B14R2.4529 CC(=O)c1nc2cc(Br)ccc2o1 Amb18731619 [0,1,0,0,0,0|2,0,1]=4 622 B14R2.4529 CC(=O)c1nc2cc(C)ccc2o1 Amb25308913 [0,1,0,0,0,0|2,0,1]=4 623 B14R2.4529 CC(=O)c1nc2cc(C)ccc2s1 Amb27607090 [0,1,0,0,0,0|2,0,1]=4 624 B14R2.4529 CC(=O)c1nc2cc(F)ccc2o1 Amb25312336 [0,1,0,0,0,0|2,0,1]=4 625 B14R2.4529 CC(=O)c1nc2cc(F)ccc2s1 Amb25893838 [0,1,0,0,0,0|2,0,1]=4 626 B14R2.4529 CC(=O)c1nc2cc(I)ccc2o1 Amb26894820 [0,1,0,0,0,0|2,0,1]=4 627 B14R2.4529 CC(=O)c1nc2cc(N)ccc2o1 Amb18196984 [0,1,0,0,0,0|2,0,1]=4 628 B14R2.4529 CC(=O)c1nc2cc(S)ccc2o1 Amb25971994 [0,1,0,0,0,0|2,0,1]=4 629 B14R2.4529 CC(=O)c1nc2ccc(Br)cc2o1 Amb18731620 [0,1,0,0,0,0|2,0,1]=4 630 B14R2.4529 CC(=O)c1nc2ccc(Br)cc2s1 Amb25035507 [0,1,0,0,0,0|2,0,1]=4 631 B14R2.4529 CC(=O)c1nc2ccc(C)cc2s1 Amb25760644 [0,1,0,0,0,0|2,0,1]=4 632 B14R2.4529 CC(=O)c1nc2ccc(Cl)cc2o1 Amb25755631 [0,1,0,0,0,0|2,0,1]=4 633 B14R2.4529 CC(=O)c1nc2ccc(Cl)cc2s1 Amb27165959 [0,1,0,0,0,0|2,0,1]=4 634 B14R2.4529 CC(=O)c1nc2ccc(F)cc2o1 Amb25768508 [0,1,0,0,0,0|2,0,1]=4 635 B14R2.4529 CC(=O)c1nc2ccc(F)cc2s1 Amb25684163 [0,1,0,0,0,0|2,0,1]=4 636 B14R2.4529 CC(=O)c1nc2ccc(I)cc2o1 Amb24549377 [0,1,0,0,0,0|2,0,1]=4 637 B14R2.4529 CC(=O)c1nc2ccc(N)cc2o1 Amb27668799 [0,1,0,0,0,0|2,0,1]=4 638 B14R2.4529 CC(=O)c1nc2ccc(O)cc2o1 Amb24579330 [0,1,0,0,0,0|2,0,1]=4 639 B14R2.4529 CC(=O)c1nc2ccc(S)cc2o1 Amb26417029 [0,1,0,0,0,0|2,0,1]=4 640 B14R2.4529 CC(=O)n1cc2cc(Br)ccc2n1 Amb16231051 [0,1,0,0,0,0|2,0,1]=4 641 B14R2.4529 CC(=O)n1cc2cc(Cl)ccc2n1 Amb22736292 [0,1,0,0,0,0|2,0,1]=4 642 B14R2.4529 CC(=O)n1cc2cc(I)ccc2n1 Amb10982596 [0,1,0,0,0,0|2,0,1]=4 643 B14R2.4529 CC(=O)n1cc2ccc(F)cc2n1 Amb22737806 [0,1,0,0,0,0|2,0,1]=4 644 B14R2.4529 CC(=O)n1cc2ccc(I)cc2n1 Amb22736268 [0,1,0,0,0,0|2,0,1]=4 645 B14R2.4529 CC(O)c1cc2cc(Br)ccc2o1 Amb1110904 [0,1,0,0,0,0|2,0,1]=4 646 B14R2.4529 CC(O)c1cc2cc(Cl)ccc2o1 Amb27486935 [0,1,0,0,0,0|2,0,1]=4 647 B14R2.4529 CC(O)c1cc2ccc(Br)cc2s1 Amb25950753 [0,1,0,0,0,0|2,0,1]=4 648 B14R2.4529 CC1=CC=N2C=C(C(=O)O)NC2=N1 Amb31128509 [0,1,0,0,0,0|2,0,0]=3 649 B14R2.4529 Cc1cc2nc(C(=O)O)cn2cn1 Amb27966378 [0,1,0,0,0,0|2,0,1]=4 650 B14R2.4529 Cc1cc2oc(C(=O)O)nc2cn1 Amb32691514 [0,1,0,0,0,0|2,0,1]=4 651 B14R2.4529 Cc1ccc2c(c1)CC(C(=O)O)N2 Amb10607438 [0,1,0,0,0,0|0,0,2]=3 652 B14R2.4529 Cc1ccc2c(c1)CC(C(=O)O)N2 Amb13949031 [0,1,0,0,0,0|0,0,2]=3 653 B14R2.4529 Cc1ccc2c(c1)CC(C(=O)O)O2 Amb17605544 [0,1,0,0,0,0|1,0,2]=4 654 B14R2.4529 Cc1ccc2c(c1)CC(C(=O)O)S2 Amb31156410 [0,1,0,0,0,0|1,0,2]=4 655 B14R2.4529 Cc1ccc2c(c1)C[C@H](C(=O)O)N2 Amb27264858 [0,1,0,0,0,0|0,0,2]=3 656 B14R2.4529 Cc1ccc2c(c1)NC(C(=O)O)C2 Amb25137184 [0,1,0,0,0,0|0,0,2]=3 657 B14R2.4529 Cc1ccc2c(c1)OC(C(=O)O)C2 Amb22755246 [0,1,0,0,0,0|1,0,2]=4 658 B14R2.4529 Cc1ccc2c(c1)SC(C(=O)O)C2 Amb9703077 [0,1,0,0,0,0|1,0,2]=4 659 B14R2.4529 Cc1ccc2cc(B(O)O)oc2c1 Amb27212786 [0,1,0,0,0,0|2,0,1]=4 660 B14R2.4529 Cc1ccc2cc(B(O)O)sc2c1 Amb33543954 [0,1,0,0,0,0|2,0,1]=4 661 B14R2.4529 Cc1ccc2cc(C(=N)N)oc2c1 Amb27594715 [0,1,0,0,0,0|3,0,0]=4 662 B14R2.4529 Cc1ccc2cc(C(=O)Cl)sc2c1 Amb27857280 [0,1,0,0,0,0|2,0,0]=3 663 B14R2.4529 Cc1ccc2cc(C(=O)O)nn2c1 Amb27658902 [0,1,0,0,0,0|1,0,1]=3 664 B14R2.4529 Cc1ccc2cc(C(=O)O)oc2c1 Amb7088969 [0,1,0,0,0,0|1,0,0]=2 665 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2c1 Amb5328964 [0,1,0,0,0,0|1,0,0]=2 666 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2n1 Amb18190384 [0,1,0,0,0,0|2,0,0]=3 667 B14R2.4529 Cc1ccc2cc([N+](=O)[O-])sc2c1 Amb27634152 [0,1,0,0,0,0|2,0,1]=4 668 B14R2.4529 Cc1ccc2nc(C(=O)Cl)oc2c1 Amb27967525 [0,1,0,0,0,0|2,0,1]=4 669 B14R2.4529 Cc1ccc2nc(C(=O)O)cn2c1 Amb2235970 [0,1,0,0,0,0|1,0,1]=3 670 B14R2.4529 Cc1ccc2nc(C(=O)O)cn2c1 Amb28555835 [0,1,0,0,0,0|1,0,1]=3 671 B14R2.4529 Cc1ccc2nc(C(=O)O)oc2c1 Amb28397834 [0,1,0,0,0,0|1,0,1]=3 672 B14R2.4529 Cc1ccc2nc(C(=O)O)sc2c1 Amb18138680 [0,1,0,0,0,0|1,0,1]=3 673 B14R2.4529 Cc1ccc2nc(C(N)=O)cn2c1 Amb27187221 [0,1,0,0,0,0|2,0,1]=4 674 B14R2.4529 Cc1ccc2nc(C(N)=O)oc2c1 Amb28135598 [0,1,0,0,0,0|2,0,1]=4 675 B14R2.4529 Cc1ccc2nc(C(N)=O)sc2c1 Amb27637687 [0,1,0,0,0,0|2,0,1]=4 676 B14R2.4529 Cc1ccc2nc(S(=O)O)sc2c1 Amb32992427 [0,1,0,0,0,0|2,0,1]=4 677 B14R2.4529 Cc1ccc2oc(B(O)O)cc2c1 Amb22728106 [0,1,0,0,0,0|2,0,1]=4 678 B14R2.4529 Cc1ccc2oc(C(=O)Cl)cc2c1 Amb18321287 [0,1,0,0,0,0|2,0,0]=3 679 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2c1 Amb1950844 [0,1,0,0,0,0|1,0,0]=2 680 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2n1 Amb19358168 [0,1,0,0,0,0|2,0,0]=3 681 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2n1 Amb9174202 [0,1,0,0,0,0|2,0,0]=3 682 B14R2.4529 Cc1ccc2oc(C(=O)O)nc2c1 Amb24580656 [0,1,0,0,0,0|1,0,1]=3 683 B14R2.4529 Cc1ccc2oc(C(=O)O)nc2n1 Amb32691507 [0,1,0,0,0,0|2,0,1]=4 684 B14R2.4529 Cc1ccc2oc(C(C)O)cc2c1 Amb27834473 [0,1,0,0,0,0|2,0,1]=4 685 B14R2.4529 Cc1ccc2oc(C(N)=O)cc2c1 Amb18180473 [0,1,0,0,0,0|2,0,0]=3 686 B14R2.4529 Cc1ccc2oc(C(N)=O)nc2c1 Amb24649738 [0,1,0,0,0,0|2,0,1]=4 687 B14R2.4529 Cc1ccc2sc(B(O)O)cc2c1 Amb2724852 [0,1,0,0,0,0|2,0,1]=4 688 B14R2.4529 Cc1ccc2sc(C(=O)O)cc2c1 Amb2724851 [0,1,0,0,0,0|1,0,0]=2 689 B14R2.4529 Cc1ccc2sc(C(=O)O)nc2n1 Amb32863297 [0,1,0,0,0,0|2,0,1]=4 690 B14R2.4529 Cc1ccn2cc(C(=O)O)cc2c1 Amb3939923 [0,1,0,0,0,0|2,0,0]=3 691 B14R2.4529 Cc1ccn2cc(C(=O)O)nc2c1 Amb1656680 [0,1,0,0,0,0|1,0,1]=3 692 B14R2.4529 Cc1ccn2cc(C(=O)O)nc2c1 Amb22587726 [0,1,0,0,0,0|1,0,1]=3 693 B14R2.4529 Cc1ccn2nc(C(=O)O)cc2c1 Amb22304833 [0,1,0,0,0,0|1,0,1]=3 694 B14R2.4529 Cc1ccn2nc(C(=O)O)cc2n1 Amb25969137 [0,1,0,0,0,0|2,0,1]=4 695 B14R2.4529 Cc1cn2cc(C(=O)O)nc2cn1 Amb28118996 [0,1,0,0,0,0|2,0,1]=4 696 B14R2.4529 Cc1cnc2cc(C(=O)O)nn2c1 Amb2786504 [0,1,0,0,0,0|2,0,1]=4 697 B14R2.4529 Cc1cnc2cc(C(=O)O)sc2n1 Amb18815172 [0,1,0,0,0,0|3,0,0]=4 698 B14R2.4529 Cc1cnc2nc(C(=O)O)oc2c1 Amb32691499 [0,1,0,0,0,0|2,0,1]=4 699 B14R2.4529 Cc1cnc2nc(C(=O)O)sc2c1 Amb32863298 [0,1,0,0,0,0|2,0,1]=4 700 B14R2.4529 Cc1cnc2sc(C(=O)O)cc2c1 Amb28369962 [0,1,0,0,0,0|2,0,0]=3 701 B14R2.4529 Cc1ncc2cc(C(=O)O)oc2n1 Amb18145767 [0,1,0,0,0,0|3,0,0]=4 702 B14R2.4529 Cc1ncc2cc(C(=O)O)sc2n1 Amb18680454 [0,1,0,0,0,0|3,0,0]=4 703 B14R2.4529 Cc1ncc2sc(C(=O)O)cc2n1 Amb18189946 [0,1,0,0,0,0|3,0,0]=4 704 B14R2.4529 N=C(N)c1cc2cc(Cl)ccc2o1 Amb28242984 [0,1,0,0,0,0|3,0,0]=4 705 B14R2.4529 N=C(N)c1cc2ccc(F)cc2o1 Amb27645376 [0,1,0,0,0,0|3,0,0]=4 706 B14R2.4529 N=C(N)c1cc2ccc(I)cc2s1 Amb27631466 [0,1,0,0,0,0|3,0,0]=4 707 B14R2.4529 NC(=O)c1cc2cc(Br)ccc2o1 Amb2300496 [0,1,0,0,0,0|2,0,0]=3 708 B14R2.4529 NC(=O)c1cc2cc(Cl)ccc2o1 Amb22749535 [0,1,0,0,0,0|2,0,0]=3 709 B14R2.4529 NC(=O)c1cc2cc(Cl)ccc2s1 Amb27638489 [0,1,0,0,0,0|2,0,0]=3 710 B14R2.4529 NC(=O)c1cc2cc(F)ccc2s1 Amb8998207 [0,1,0,0,0,0|2,0,0]=3 711 B14R2.4529 NC(=O)c1cc2cc(N)ccc2o1 Amb10608984 [0,1,0,0,0,0|2,0,0]=3 712 B14R2.4529 NC(=O)c1cc2cc(N)ccc2o1 Amb9199460 [0,1,0,0,0,0|2,0,0]=3 713 B14R2.4529 NC(=O)c1cc2ccc(Br)cc2s1 Amb10975649 [0,1,0,0,0,0|2,0,0]=3 714 B14R2.4529 NC(=O)c1cc2ccc(F)cc2o1 Amb27180014 [0,1,0,0,0,0|2,0,0]=3 715 B14R2.4529 NC(=O)c1cn2cc(Br)ccc2n1 Amb25842352 [0,1,0,0,0,0|2,0,1]=4 716 B14R2.4529 NC(=O)c1cn2cc(Cl)ccc2n1 Amb25213998 [0,1,0,0,0,0|2,0,1]=4 717 B14R2.4529 NC(=O)c1cn2cc(N)ccc2n1 Amb17209218 [0,1,0,0,0,0|2,0,1]=4 718 B14R2.4529 NC(=O)c1cn2ccc(Br)cc2n1 Amb27602903 [0,1,0,0,0,0|2,0,1]=4 719 B14R2.4529 NC(=O)c1cn2ccc(Cl)cc2n1 Amb32423725 [0,1,0,0,0,0|2,0,1]=4 720 B14R2.4529 NC(=O)c1nc2cc(Br)ccc2o1 Amb22756060 [0,1,0,0,0,0|2,0,1]=4 721 B14R2.4529 NC(=O)c1nc2cc(Cl)ccc2o1 Amb26594490 [0,1,0,0,0,0|2,0,1]=4 722 B14R2.4529 NC(=O)c1nc2cc(I)ccc2o1 Amb27208759 [0,1,0,0,0,0|2,0,1]=4 723 B14R2.4529 NC(=O)c1nc2cc(N)ccc2o1 Amb28722170 [0,1,0,0,0,0|2,0,1]=4 724 B14R2.4529 NC(=O)c1nc2cc(N)ccc2s1 Amb27442278 [0,1,0,0,0,0|2,0,1]=4 725 B14R2.4529 NC(=O)c1nc2cc(O)ccc2o1 Amb25940258 [0,1,0,0,0,0|2,0,1]=4 726 B14R2.4529 NC(=O)c1nc2cc(S)ccc2o1 Amb25996794 [0,1,0,0,0,0|2,0,1]=4 727 B14R2.4529 NC(=O)c1nc2ccc(Br)cc2o1 Amb22756063 [0,1,0,0,0,0|2,0,1]=4 728 B14R2.4529 NC(=O)c1nc2ccc(Cl)cc2o1 Amb26608120 [0,1,0,0,0,0|2,0,1]=4 729 B14R2.4529 NC(=O)c1nc2ccc(F)cc2o1 Amb24537148 [0,1,0,0,0,0|2,0,1]=4 730 B14R2.4529 NC(=O)c1nc2ccc(O)cc2o1 Amb25995503 [0,1,0,0,0,0|2,0,1]=4 731 B14R2.4529 NC(=O)c1nc2ccc(S)cc2o1 Amb24537151 [0,1,0,0,0,0|2,0,1]=4 732 B14R2.4529 NC(=S)c1cc2cc(O)ccc2o1 Amb27778519 [0,1,0,0,0,0|2,1,0]=4 733 B14R2.4529 Nc1cc2nc(C(=O)O)cn2cn1 Amb32698397 [0,1,0,0,0,0|2,0,1]=4 734 B14R2.4529 Nc1ccc2c(c1)CC(C(=O)O)N2 Amb26559667 [0,1,0,0,0,0|0,0,2]=3 735 B14R2.4529 Nc1ccc2c(c1)CC(C(=O)O)N2 Amb33483947 [0,1,0,0,0,0|0,0,2]=3 736 B14R2.4529 Nc1ccc2c(c1)CC(C(=O)O)O2 Amb18670745 [0,1,0,0,0,0|1,0,2]=4 737 B14R2.4529 Nc1ccc2c(c1)C[C@H](C(=O)O)N2 Amb28400149 [0,1,0,0,0,0|0,0,2]=3 738 B14R2.4529 Nc1ccc2c(c1)NC(C(=O)O)C2 Amb27258088 [0,1,0,0,0,0|0,0,2]=3 739 B14R2.4529 Nc1ccc2c(c1)N[C@H](C(=O)O)C2 Amb27410927 [0,1,0,0,0,0|0,0,2]=3 740 B14R2.4529 Nc1ccc2cc(C(=O)O)cn2c1 Amb18196963 [0,1,0,0,0,0|2,0,0]=3 741 B14R2.4529 Nc1ccc2cc(C(=O)O)oc2c1 Amb18670711 [0,1,0,0,0,0|1,0,0]=2 742 B14R2.4529 Nc1ccc2cc(C(=O)O)sc2c1 Amb18670820 [0,1,0,0,0,0|1,0,0]=2 743 B14R2.4529 Nc1ccc2nc(C(=O)O)cn2c1 Amb22494130 [0,1,0,0,0,0|1,0,1]=3 744 B14R2.4529 Nc1ccc2nc(C(=O)O)oc2c1 Amb23455742 [0,1,0,0,0,0|1,0,1]=3 745 B14R2.4529 Nc1ccc2nc(C(=O)O)sc2c1 Amb27951787 [0,1,0,0,0,0|1,0,1]=3 746 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb10975495 [0,1,0,0,0,0|1,0,0]=2 747 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb9200655 [0,1,0,0,0,0|1,0,0]=2 748 B14R2.4529 Nc1ccc2oc(C(=O)O)nc2c1 Amb26641763 [0,1,0,0,0,0|1,0,1]=3 749 B14R2.4529 Nc1ccc2sc(B(O)O)cc2c1 Amb28254579 [0,1,0,0,0,0|2,0,1]=4 750 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2196730 [0,1,0,0,0,0|1,0,0]=2 751 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2455030 [0,1,0,0,0,0|1,0,0]=2 752 B14R2.4529 Nc1ccc2sc(C(=O)O)nc2c1 Amb27168677 [0,1,0,0,0,0|1,0,1]=3 753 B14R2.4529 Nc1ccc2sc(C(=O)[O-])cc2c1 Amb21859425 [0,1,0,0,0,0|1,0,1]=3 754 B14R2.4529 Nc1cnc2sc(C(=O)O)cc2c1 Amb18190022 [0,1,0,0,0,0|2,0,0]=3 755 B14R2.4529 Nc1ncc2cc(C(=O)O)sc2n1 Amb26576201 [0,1,0,0,0,0|3,0,0]=4 756 B14R2.4529 O=C(Cl)c1cc2cc(Br)ccc2o1 Amb2723498 [0,1,0,0,0,0|2,0,0]=3 757 B14R2.4529 O=C(Cl)c1cc2cc(Cl)ccc2o1 Amb26057376 [0,1,0,0,0,0|2,0,0]=3 758 B14R2.4529 O=C(Cl)c1cc2cc(Cl)ccc2s1 Amb15695247 [0,1,0,0,0,0|2,0,0]=3 759 B14R2.4529 O=C(Cl)c1cc2cc(F)ccc2s1 Amb10975639 [0,1,0,0,0,0|2,0,0]=3 760 B14R2.4529 O=C(Cl)c1cc2cc(O)ccc2o1 Amb27587144 [0,1,0,0,0,0|2,0,0]=3 761 B14R2.4529 O=C(Cl)c1cc2cc(O)ccc2s1 Amb27771431 [0,1,0,0,0,0|2,0,0]=3 762 B14R2.4529 O=C(Cl)c1cc2ccc(Br)cc2s1 Amb10975647 [0,1,0,0,0,0|2,0,0]=3 763 B14R2.4529 O=C(Cl)c1nc2cc(Br)ccc2o1 Amb27965879 [0,1,0,0,0,0|2,0,1]=4 764 B14R2.4529 O=C(Cl)c1nc2cc(Cl)ccc2o1 Amb27844476 [0,1,0,0,0,0|2,0,1]=4 765 B14R2.4529 O=C(Cl)c1nc2cc(F)ccc2o1 Amb27844588 [0,1,0,0,0,0|2,0,1]=4 766 B14R2.4529 O=C(Cl)c1nc2cc(I)ccc2o1 Amb25208579 [0,1,0,0,0,0|2,0,1]=4 767 B14R2.4529 O=C(Cl)c1nc2cc(O)ccc2o1 Amb25268458 [0,1,0,0,0,0|2,0,1]=4 768 B14R2.4529 O=C(Cl)c1nc2cc(O)ccc2s1 Amb25995235 [0,1,0,0,0,0|2,0,1]=4 769 B14R2.4529 O=C(Cl)c1nc2cc(S)ccc2o1 Amb27782030 [0,1,0,0,0,0|2,0,1]=4 770 B14R2.4529 O=C(Cl)c1nc2ccc(Cl)cc2o1 Amb26593404 [0,1,0,0,0,0|2,0,1]=4 771 B14R2.4529 O=C(Cl)c1nc2ccc(Cl)cc2s1 Amb27215668 [0,1,0,0,0,0|2,0,1]=4 772 B14R2.4529 O=C(Cl)c1nc2ccc(F)cc2o1 Amb27634218 [0,1,0,0,0,0|2,0,1]=4 773 B14R2.4529 O=C(Cl)c1nc2ccc(I)cc2o1 Amb25223858 [0,1,0,0,0,0|2,0,1]=4 774 B14R2.4529 O=C(Cl)c1nc2ccc(O)cc2o1 Amb27634219 [0,1,0,0,0,0|2,0,1]=4 775 B14R2.4529 O=C(Cl)c1nc2ccc(O)cc2s1 Amb25208938 [0,1,0,0,0,0|2,0,1]=4 776 B14R2.4529 O=C(Cl)c1nc2ccc(S)cc2o1 Amb27844682 [0,1,0,0,0,0|2,0,1]=4 777 B14R2.4529 O=C(O)C1=Cc2ccc(Cl)cc2C1 Amb27657657 [0,1,0,0,0,0|1,0,0]=2 778 B14R2.4529 O=C(O)C1=Nc2ncc(Cl)cc2C1 Amb28401463 [0,1,0,0,0,0|1,0,2]=4 779 B14R2.4529 O=C(O)C1Cc2cc(Br)ccc2N1 Amb27863880 [0,1,0,0,0,0|0,0,2]=3 780 B14R2.4529 O=C(O)C1Cc2cc(Br)ccc2O1 Amb22751595 [0,1,0,0,0,0|1,0,2]=4 781 B14R2.4529 O=C(O)C1Cc2cc(Br)ccc2S1 Amb27468634 [0,1,0,0,0,0|1,0,2]=4 782 B14R2.4529 O=C(O)C1Cc2cc(Cl)ccc2N1 Amb10607441 [0,1,0,0,0,0|0,0,2]=3 783 B14R2.4529 O=C(O)C1Cc2cc(Cl)ccc2N1 Amb11012593 [0,1,0,0,0,0|0,0,2]=3 784 B14R2.4529 O=C(O)C1Cc2cc(Cl)ccc2O1 Amb444968 [0,1,0,0,0,0|1,0,2]=4 785 B14R2.4529 O=C(O)C1Cc2cc(F)ccc2N1 Amb23538786 [0,1,0,0,0,0|0,0,2]=3 786 B14R2.4529 O=C(O)C1Cc2cc(F)ccc2O1 Amb7767328 [0,1,0,0,0,0|1,0,2]=4 787 B14R2.4529 O=C(O)C1Cc2cc(F)ccc2S1 Amb2372511 [0,1,0,0,0,0|1,0,2]=4 788 B14R2.4529 O=C(O)C1Cc2cc(I)ccc2O1 Amb22751604 [0,1,0,0,0,0|1,0,2]=4 789 B14R2.4529 O=C(O)C1Cc2ccc(Br)cc2C1 Amb18156517 [0,1,0,0,0,0|1,0,2]=4 790 B14R2.4529 O=C(O)C1Cc2ccc(Br)cc2N1 Amb18561156 [0,1,0,0,0,0|0,0,2]=3 791 B14R2.4529 O=C(O)C1Cc2ccc(Br)cc2O1 Amb33167033 [0,1,0,0,0,0|1,0,2]=4 792 B14R2.4529 O=C(O)C1Cc2ccc(Cl)cc2N1 Amb18561158 [0,1,0,0,0,0|0,0,2]=3 793 B14R2.4529 O=C(O)C1Cc2ccc(Cl)cc2O1 Amb22751591 [0,1,0,0,0,0|1,0,2]=4 794 B14R2.4529 O=C(O)C1Cc2ccc(Cl)cc2S1 Amb2372509 [0,1,0,0,0,0|1,0,2]=4 795 B14R2.4529 O=C(O)C1Cc2ccc(F)cc2C1 Amb24055929 [0,1,0,0,0,0|1,0,2]=4 796 B14R2.4529 O=C(O)C1Cc2ccc(F)cc2N1 Amb24740897 [0,1,0,0,0,0|0,0,2]=3 797 B14R2.4529 O=C(O)C1Cc2ccc(F)cc2N1 Amb33743880 [0,1,0,0,0,0|0,0,2]=3 798 B14R2.4529 O=C(O)C1Cc2ccc(F)cc2O1 Amb22755265 [0,1,0,0,0,0|1,0,2]=4 799 B14R2.4529 O=C(O)C1Cc2ccc(O)cc2N1 Amb24649443 [0,1,0,0,0,0|0,0,2]=3 800 B14R2.4529 O=C(O)C1Cc2ccc(O)cc2O1 Amb21837686 [0,1,0,0,0,0|1,0,2]=4 801 B14R2.4529 O=C(O)[C@@H]1Cc2cc(Br)ccc2N1 Amb24331855 [0,1,0,0,0,0|0,0,2]=3 802 B14R2.4529 O=C(O)[C@@H]1Cc2cc(Cl)ccc2N1 Amb24331853 [0,1,0,0,0,0|0,0,2]=3 803 B14R2.4529 O=C(O)[C@@H]1Cc2ccc(Br)cc2C1 Amb28461632 [0,1,0,0,0,0|1,0,2]=4 804 B14R2.4529 O=C(O)[C@@H]1Cc2ccc(Cl)cc2N1 Amb27231583 [0,1,0,0,0,0|0,0,2]=3 805 B14R2.4529 O=C(O)[C@@H]1Cc2ccc(F)cc2N1 Amb27225936 [0,1,0,0,0,0|0,0,2]=3 806 B14R2.4529 O=C(O)[C@H]1Cc2cc(Cl)ccc2N1 Amb28067556 [0,1,0,0,0,0|0,0,2]=3 807 B14R2.4529 O=C(O)[C@H]1Cc2cc(Cl)ccc2O1 Amb27426842 [0,1,0,0,0,0|1,0,2]=4 808 B14R2.4529 O=C(O)[C@H]1Cc2ccc(Br)cc2N1 Amb27224948 [0,1,0,0,0,0|0,0,2]=3 809 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2o1 Amb1091880 [0,1,0,0,0,0|1,0,0]=2 810 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2s1 Amb2423290 [0,1,0,0,0,0|1,0,0]=2 811 B14R2.4529 O=C(O)c1cc2cc(Br)ccn2n1 Amb22406113 [0,1,0,0,0,0|1,0,1]=3 812 B14R2.4529 O=C(O)c1cc2cc(Br)cnc2s1 Amb26512877 [0,1,0,0,0,0|2,0,0]=3 813 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2o1 Amb1154613 [0,1,0,0,0,0|1,0,0]=2 814 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2s1 Amb5328936 [0,1,0,0,0,0|1,0,0]=2 815 B14R2.4529 O=C(O)c1cc2cc(Cl)ccn2n1 Amb26913411 [0,1,0,0,0,0|1,0,1]=3 816 B14R2.4529 O=C(O)c1cc2cc(Cl)ncc2o1 Amb27748849 [0,1,0,0,0,0|2,0,0]=3 817 B14R2.4529 O=C(O)c1cc2cc(F)ccc2o1 Amb9174483 [0,1,0,0,0,0|1,0,0]=2 818 B14R2.4529 O=C(O)c1cc2cc(F)ccc2s1 Amb1154250 [0,1,0,0,0,0|1,0,0]=2 819 B14R2.4529 O=C(O)c1cc2cc(F)cnc2s1 Amb32655501 [0,1,0,0,0,0|2,0,0]=3 820 B14R2.4529 O=C(O)c1cc2cc(I)ccc2o1 Amb22751603 [0,1,0,0,0,0|1,0,0]=2 821 B14R2.4529 O=C(O)c1cc2cc(O)ccc2o1 Amb13881926 [0,1,0,0,0,0|1,0,0]=2 822 B14R2.4529 O=C(O)c1cc2cc(O)ccc2s1 Amb18130069 [0,1,0,0,0,0|1,0,0]=2 823 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2o1 Amb2446994 [0,1,0,0,0,0|1,0,0]=2 824 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2s1 Amb5328958 [0,1,0,0,0,0|1,0,0]=2 825 B14R2.4529 O=C(O)c1cc2ccc(Br)cn2c1 Amb18731618 [0,1,0,0,0,0|2,0,0]=3 826 B14R2.4529 O=C(O)c1cc2ccc(Br)cn2n1 Amb20241686 [0,1,0,0,0,0|1,0,1]=3 827 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2o1 Amb18188661 [0,1,0,0,0,0|1,0,0]=2 828 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2s1 Amb2237307 [0,1,0,0,0,0|1,0,0]=2 829 B14R2.4529 O=C(O)c1cc2ccc(Cl)cn2n1 Amb20241685 [0,1,0,0,0,0|1,0,1]=3 830 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2o1 Amb18130437 [0,1,0,0,0,0|2,0,0]=3 831 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2s1 Amb32655496 [0,1,0,0,0,0|2,0,0]=3 832 B14R2.4529 O=C(O)c1cc2ccc(F)cc2o1 Amb18824570 [0,1,0,0,0,0|1,0,0]=2 833 B14R2.4529 O=C(O)c1cc2ccc(F)cc2s1 Amb1106075 [0,1,0,0,0,0|1,0,0]=2 834 B14R2.4529 O=C(O)c1cc2ccc(F)cn2c1 Amb18824774 [0,1,0,0,0,0|2,0,0]=3 835 B14R2.4529 O=C(O)c1cc2ccc(F)cn2n1 Amb20241687 [0,1,0,0,0,0|1,0,1]=3 836 B14R2.4529 O=C(O)c1cc2ccc(F)nc2s1 Amb32679673 [0,1,0,0,0,0|2,0,0]=3 837 B14R2.4529 O=C(O)c1cc2ccc(O)cc2o1 Amb21864630 [0,1,0,0,0,0|1,0,0]=2 838 B14R2.4529 O=C(O)c1cc2ccc(O)cc2s1 Amb27636509 [0,1,0,0,0,0|1,0,0]=2 839 B14R2.4529 O=C(O)c1cc2ccc(O)nc2s1 Amb33742098 [0,1,0,0,0,0|2,0,0]=3 840 B14R2.4529 O=C(O)c1cc2cnc(Cl)nc2s1 Amb25331284 [0,1,0,0,0,0|3,0,0]=4 841 B14R2.4529 O=C(O)c1cc2nc(Cl)ccc2s1 Amb32665221 [0,1,0,0,0,0|2,0,0]=3 842 B14R2.4529 O=C(O)c1cc2nc(Cl)ccn2n1 Amb24463604 [0,1,0,0,0,0|2,0,1]=4 843 B14R2.4529 O=C(O)c1cc2nc(Cl)cnc2s1 Amb27592898 [0,1,0,0,0,0|3,0,0]=4 844 B14R2.4529 O=C(O)c1cc2ncc(Br)cc2o1 Amb32712625 [0,1,0,0,0,0|2,0,0]=3 845 B14R2.4529 O=C(O)c1cc2ncc(Br)cc2s1 Amb27203688 [0,1,0,0,0,0|2,0,0]=3 846 B14R2.4529 O=C(O)c1cc2ncc(Br)cn2n1 Amb2634593 [0,1,0,0,0,0|2,0,1]=4 847 B14R2.4529 O=C(O)c1cc2ncc(Cl)cn2n1 Amb20241191 [0,1,0,0,0,0|2,0,1]=4 848 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2o1 Amb18187858 [0,1,0,0,0,0|3,0,0]=4 849 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2s1 Amb18173917 [0,1,0,0,0,0|3,0,0]=4 850 B14R2.4529 O=C(O)c1cn2cc(Br)ccc2n1 Amb2235969 [0,1,0,0,0,0|1,0,1]=3 851 B14R2.4529 O=C(O)c1cn2cc(Br)ccc2n1 Amb2685274 [0,1,0,0,0,0|1,0,1]=3 852 B14R2.4529 O=C(O)c1cn2cc(Br)cnc2n1 Amb10976083 [0,1,0,0,0,0|2,0,1]=4 853 B14R2.4529 O=C(O)c1cn2cc(Br)ncc2n1 Amb10069921 [0,1,0,0,0,0|2,0,1]=4 854 B14R2.4529 O=C(O)c1cn2cc(Cl)ccc2n1 Amb17622302 [0,1,0,0,0,0|1,0,1]=3 855 B14R2.4529 O=C(O)c1cn2cc(Cl)ccc2n1 Amb2235729 [0,1,0,0,0,0|1,0,1]=3 856 B14R2.4529 O=C(O)c1cn2cc(Cl)cnc2n1 Amb15701678 [0,1,0,0,0,0|2,0,1]=4 857 B14R2.4529 O=C(O)c1cn2cc(Cl)cnc2n1 Amb22587439 [0,1,0,0,0,0|2,0,1]=4 858 B14R2.4529 O=C(O)c1cn2cc(Cl)cnc2n1 Amb28555937 [0,1,0,0,0,0|2,0,1]=4 859 B14R2.4529 O=C(O)c1cn2cc(Cl)ncc2n1 Amb24384544 [0,1,0,0,0,0|2,0,1]=4 860 B14R2.4529 O=C(O)c1cn2cc(F)ccc2n1 Amb10975253 [0,1,0,0,0,0|1,0,1]=3 861 B14R2.4529 O=C(O)c1cn2cc(F)cnc2n1 Amb26952004 [0,1,0,0,0,0|2,0,1]=4 862 B14R2.4529 O=C(O)c1cn2cc(I)ccc2n1 Amb2422795 [0,1,0,0,0,0|1,0,1]=3 863 B14R2.4529 O=C(O)c1cn2cc(O)ccc2n1 Amb33973052 [0,1,0,0,0,0|1,0,1]=3 864 B14R2.4529 O=C(O)c1cn2ccc(Br)cc2n1 Amb16230784 [0,1,0,0,0,0|1,0,1]=3 865 B14R2.4529 O=C(O)c1cn2ccc(Br)cc2n1 Amb32652884 [0,1,0,0,0,0|1,0,1]=3 866 B14R2.4529 O=C(O)c1cn2ccc(Cl)cc2n1 Amb16230781 [0,1,0,0,0,0|1,0,1]=3 867 B14R2.4529 O=C(O)c1cn2ccc(Cl)nc2n1 Amb27244195 [0,1,0,0,0,0|2,0,1]=4 868 B14R2.4529 O=C(O)c1cn2ccc(F)cc2n1 Amb22235531 [0,1,0,0,0,0|1,0,1]=3 869 B14R2.4529 O=C(O)c1cn2cnc(Cl)cc2n1 Amb27395301 [0,1,0,0,0,0|2,0,1]=4 870 B14R2.4529 O=C(O)c1cn2nc(Cl)ccc2n1 Amb2724848 [0,1,0,0,0,0|2,0,1]=4 871 B14R2.4529 O=C(O)c1cn2nc(I)ccc2n1 Amb16230766 [0,1,0,0,0,0|2,0,1]=4 872 B14R2.4529 O=C(O)c1cn2nc(O)ccc2n1 Amb26967367 [0,1,0,0,0,0|2,0,1]=4 873 B14R2.4529 O=C(O)c1cn2ncc(Cl)cc2n1 Amb10603922 [0,1,0,0,0,0|2,0,1]=4 874 B14R2.4529 O=C(O)c1nc2cc(Br)ccc2o1 Amb21858304 [0,1,0,0,0,0|1,0,1]=3 875 B14R2.4529 O=C(O)c1nc2cc(Br)ccc2s1 Amb25364002 [0,1,0,0,0,0|1,0,1]=3 876 B14R2.4529 O=C(O)c1nc2cc(Cl)ccc2o1 Amb19889554 [0,1,0,0,0,0|1,0,1]=3 877 B14R2.4529 O=C(O)c1nc2cc(Cl)ccc2s1 Amb8631133 [0,1,0,0,0,0|1,0,1]=3 878 B14R2.4529 O=C(O)c1nc2cc(Cl)ccn2n1 Amb19516235 [0,1,0,0,0,0|2,0,1]=4 879 B14R2.4529 O=C(O)c1nc2cc(F)ccc2o1 Amb22756785 [0,1,0,0,0,0|1,0,1]=3 880 B14R2.4529 O=C(O)c1nc2cc(F)ccc2s1 Amb26027303 [0,1,0,0,0,0|1,0,1]=3 881 B14R2.4529 O=C(O)c1nc2cc(I)ccc2o1 Amb26907556 [0,1,0,0,0,0|1,0,1]=3 882 B14R2.4529 O=C(O)c1nc2cc(S)ccc2o1 Amb26973354 [0,1,0,0,0,0|1,0,1]=3 883 B14R2.4529 O=C(O)c1nc2ccc(Br)cc2s1 Amb22000905 [0,1,0,0,0,0|1,0,1]=3 884 B14R2.4529 O=C(O)c1nc2ccc(Br)cn2n1 Amb24727313 [0,1,0,0,0,0|2,0,1]=4 885 B14R2.4529 O=C(O)c1nc2ccc(Cl)cc2o1 Amb27175338 [0,1,0,0,0,0|1,0,1]=3 886 B14R2.4529 O=C(O)c1nc2ccc(F)cc2o1 Amb22756056 [0,1,0,0,0,0|1,0,1]=3 887 B14R2.4529 O=C(O)c1nc2ccc(F)cc2s1 Amb18671241 [0,1,0,0,0,0|1,0,1]=3 888 B14R2.4529 O=C(O)c1nc2ccc(F)nc2s1 Amb27482516 [0,1,0,0,0,0|2,0,1]=4 889 B14R2.4529 O=C(O)c1nc2ccc(I)cc2s1 Amb25304302 [0,1,0,0,0,0|1,0,1]=3 890 B14R2.4529 O=C(O)c1nc2ccc(O)cc2o1 Amb26906337 [0,1,0,0,0,0|1,0,1]=3 891 B14R2.4529 O=C(O)c1nc2ccc(O)cc2s1 Amb25849190 [0,1,0,0,0,0|1,0,1]=3 892 B14R2.4529 O=C(O)c1nc2ccc(S)cc2o1 Amb25940841 [0,1,0,0,0,0|1,0,1]=3 893 B14R2.4529 O=C(O)c1nc2cnc(Br)cc2o1 Amb32691513 [0,1,0,0,0,0|2,0,1]=4 894 B14R2.4529 O=C(O)c1nc2cnc(Cl)cc2o1 Amb32691475 [0,1,0,0,0,0|2,0,1]=4 895 B14R2.4529 O=C(O)c1nc2nc(Br)ccc2o1 Amb27445613 [0,1,0,0,0,0|2,0,1]=4 896 B14R2.4529 O=C(O)c1nc2nc(Cl)ccc2o1 Amb32691505 [0,1,0,0,0,0|2,0,1]=4 897 B14R2.4529 O=C(O)c1nc2nc(F)ccc2s1 Amb32863304 [0,1,0,0,0,0|2,0,1]=4 898 B14R2.4529 O=C(O)c1nc2ncc(Br)cc2o1 Amb32691497 [0,1,0,0,0,0|2,0,1]=4 899 B14R2.4529 O=C(O)c1nc2ncc(Br)cc2s1 Amb25981037 [0,1,0,0,0,0|2,0,1]=4 900 B14R2.4529 O=C(O)c1nc2ncc(Cl)cc2o1 Amb32691502 [0,1,0,0,0,0|2,0,1]=4 901 B14R2.4529 O=C(O)c1nc2ncc(F)cc2s1 Amb32863301 [0,1,0,0,0,0|2,0,1]=4 902 B14R2.4529 O=C([O-])c1cc2cc(Cl)ccc2o1 Amb33513294 [0,1,0,0,0,0|1,0,1]=3 903 B14R2.4529 O=C([O-])c1cc2ccc(Cl)cc2s1 Amb21859422 [0,1,0,0,0,0|1,0,1]=3 904 B14R2.4529 O=C([O-])c1nc2cc(Cl)ccc2s1 Amb23399575 [0,1,0,0,0,0|1,0,2]=4 905 B14R2.4529 O=C([O-])c1nc2cc(F)ccc2s1 Amb32665042 [0,1,0,0,0,0|1,0,2]=4 906 B14R2.4529 O=C([O-])c1nc2ccc(Br)cc2s1 Amb34913030 [0,1,0,0,0,0|1,0,2]=4 907 B14R2.4529 O=C1C=C2C=C(C(=O)O)NC2=CN1 Amb27984992 [0,1,0,0,0,0|1,0,0]=2 908 B14R2.4529 O=C1C=C2SC(C(=O)O)=CC2=NN1 Amb27878700 [0,1,0,0,0,0|3,0,0]=4 909 B14R2.4529 O=C1C=Cn2nc(C(=O)O)cc2N1 Amb25144919 [0,1,0,0,0,0|2,0,1]=4 910 B14R2.4529 O=C1C=Nc2sc(C(=O)O)cc2N1 Amb27623858 [0,1,0,0,0,0|3,0,0]=4 911 B14R2.4529 O=S(O)c1nc2ccc(F)cc2s1 Amb32992495 [0,1,0,0,0,0|2,0,1]=4 912 B14R2.4529 O=S([O-])c1cc2cc(Cl)ccc2s1 Amb32754522 [0,1,0,0,0,0|2,0,1]=4 913 B14R2.4529 O=S([O-])c1cc2cc(F)ccc2o1 Amb32755545 [0,1,0,0,0,0|2,0,1]=4 914 B14R2.4529 O=S([O-])c1cc2cc(F)ccc2s1 Amb32754564 [0,1,0,0,0,0|2,0,1]=4 915 B14R2.4529 O=[N+]([O-])c1cc2cc(Br)ccc2o1 Amb22749452 [0,1,0,0,0,0|2,0,1]=4 916 B14R2.4529 O=[N+]([O-])c1cc2cc(O)ccc2o1 Amb22749463 [0,1,0,0,0,0|2,0,1]=4 917 B14R2.4529 OB(O)c1cc2cc(Br)ccc2o1 Amb9766211 [0,1,0,0,0,0|2,0,1]=4 918 B14R2.4529 OB(O)c1cc2cc(Br)ccc2s1 Amb9766212 [0,1,0,0,0,0|2,0,1]=4 919 B14R2.4529 OB(O)c1cc2cc(Cl)ccc2o1 Amb22728107 [0,1,0,0,0,0|2,0,1]=4 920 B14R2.4529 OB(O)c1cc2cc(F)ccc2o1 Amb22728108 [0,1,0,0,0,0|2,0,1]=4 921 B14R2.4529 OB(O)c1cc2cc(F)ccc2s1 Amb18330657 [0,1,0,0,0,0|2,0,1]=4 922 B14R2.4529 OB(O)c1cc2ccc(Cl)cc2o1 Amb33482871 [0,1,0,0,0,0|2,0,1]=4 923 B14R2.4529 OB(O)c1cc2ccc(Cl)cc2s1 Amb25268323 [0,1,0,0,0,0|2,0,1]=4 924 B14R2.4529 OB(O)c1cc2ccc(F)cc2o1 Amb25177450 [0,1,0,0,0,0|2,0,1]=4 925 B14R2.7969 CC(=O)c1cc2c(Cl)cccc2o1 Amb18189657 [0,1,0,0,0,0|2,0,0]=3 926 B14R2.7969 CC(=O)c1cc2c(Cl)cncc2o1 Amb18189162 [0,1,0,0,0,0|3,0,0]=4 927 B14R2.7969 CC(=O)c1cc2c(Cl)nccc2o1 Amb26882325 [0,1,0,0,0,0|3,0,0]=4 928 B14R2.7969 CC(=O)c1cc2c(F)cccc2s1 Amb27588348 [0,1,0,0,0,0|2,0,0]=3 929 B14R2.7969 CC(=O)c1cc2c(I)cccc2s1 Amb27796628 [0,1,0,0,0,0|2,0,0]=3 930 B14R2.7969 CC(=O)c1cc2c(N)cccc2o1 Amb18670673 [0,1,0,0,0,0|2,0,0]=3 931 B14R2.7969 CC(=O)c1cc2c(N)cccc2s1 Amb18670775 [0,1,0,0,0,0|2,0,0]=3 932 B14R2.7969 CC(=O)c1cc2c(N)cncc2s1 Amb18190678 [0,1,0,0,0,0|3,0,0]=4 933 B14R2.7969 CC(=O)c1cc2c(O)cccc2o1 Amb26344585 [0,1,0,0,0,0|2,0,0]=3 934 B14R2.7969 CC(=O)c1cc2cccc(Br)c2o1 Amb8875419 [0,1,0,0,0,0|2,0,0]=3 935 B14R2.7969 CC(=O)c1cc2cccc(C)c2s1 Amb28130019 [0,1,0,0,0,0|2,0,0]=3 936 B14R2.7969 CC(=O)c1cc2cccc(Cl)c2o1 Amb8875418 [0,1,0,0,0,0|2,0,0]=3 937 B14R2.7969 CC(=O)c1cc2cccc(F)c2o1 Amb8875417 [0,1,0,0,0,0|2,0,0]=3 938 B14R2.7969 CC(=O)c1cc2cccc(O)c2o1 Amb3939742 [0,1,0,0,0,0|2,0,0]=3 939 B14R2.7969 CC(=O)c1cn2c(C)cccc2n1 Amb25670192 [0,1,0,0,0,0|2,0,1]=4 940 B14R2.7969 CC(=O)c1cn2cccc(Br)c2n1 Amb27206820 [0,1,0,0,0,0|2,0,1]=4 941 B14R2.7969 CC(=O)c1cn2cccc(C)c2n1 Amb25303293 [0,1,0,0,0,0|2,0,1]=4 942 B14R2.7969 CC(=O)c1cn2cccc(Cl)c2n1 Amb25259756 [0,1,0,0,0,0|2,0,1]=4 943 B14R2.7969 CC(=O)c1cn2cccc(F)c2n1 Amb26456918 [0,1,0,0,0,0|2,0,1]=4 944 B14R2.7969 CC(=O)c1nc2c(C)cccc2o1 Amb24556409 [0,1,0,0,0,0|2,0,1]=4 945 B14R2.7969 CC(=O)c1nc2c(F)cccc2o1 Amb28185028 [0,1,0,0,0,0|2,0,1]=4 946 B14R2.7969 CC(=O)c1nc2c(F)cccc2s1 Amb26017743 [0,1,0,0,0,0|2,0,1]=4 947 B14R2.7969 CC(=O)c1nc2c(I)cccc2o1 Amb28255869 [0,1,0,0,0,0|2,0,1]=4 948 B14R2.7969 CC(=O)c1nc2c(N)cccc2o1 Amb28141962 [0,1,0,0,0,0|2,0,1]=4 949 B14R2.7969 CC(=O)c1nc2c(O)cccc2o1 Amb26424427 [0,1,0,0,0,0|2,0,1]=4 950 B14R2.7969 CC(=O)c1nc2c(O)cccc2s1 Amb28367222 [0,1,0,0,0,0|2,0,1]=4 951 B14R2.7969 CC(=O)c1nc2cccc(Br)c2o1 Amb26059583 [0,1,0,0,0,0|2,0,1]=4 952 B14R2.7969 CC(=O)c1nc2cccc(C)c2o1 Amb26607172 [0,1,0,0,0,0|2,0,1]=4 953 B14R2.7969 CC(=O)c1nc2cccc(Cl)c2o1 Amb25276139 [0,1,0,0,0,0|2,0,1]=4 954 B14R2.7969 CC(=O)c1nc2cccc(F)c2o1 Amb27603386 [0,1,0,0,0,0|2,0,1]=4 955 B14R2.7969 CC(=O)c1nc2cccc(F)c2s1 Amb18814250 [0,1,0,0,0,0|2,0,1]=4 956 B14R2.7969 CC(=O)c1nc2cccc(I)c2o1 Amb27224352 [0,1,0,0,0,0|2,0,1]=4 957 B14R2.7969 CC(=O)c1nc2cccc(N)c2o1 Amb25777827 [0,1,0,0,0,0|2,0,1]=4 958 B14R2.7969 CC(=O)c1nc2cccc(O)c2o1 Amb26576955 [0,1,0,0,0,0|2,0,1]=4 959 B14R2.7969 CC(=O)c1nc2cccc(S)c2o1 Amb26442559 [0,1,0,0,0,0|2,0,1]=4 960 B14R2.7969 CC(O)c1cc2cccc(Br)c2o1 Amb27165670 [0,1,0,0,0,0|2,0,1]=4 961 B14R2.7969 Cc1cccc2c1CC(C(=O)O)N2 Amb25758824 [0,1,0,0,0,0|0,0,2]=3 962 B14R2.7969 Cc1cccc2c1CC(C(=O)O)N2 Amb31146921 [0,1,0,0,0,0|0,0,2]=3 963 B14R2.7969 Cc1cccc2c1CC(C(=O)O)O2 Amb22755232 [0,1,0,0,0,0|1,0,2]=4 964 B14R2.7969 Cc1cccc2c1OC(C(=O)O)C2 Amb22755216 [0,1,0,0,0,0|1,0,2]=4 965 B14R2.7969 Cc1cccc2cc(B(O)O)sc12 Amb19078792 [0,1,0,0,0,0|2,0,1]=4 966 B14R2.7969 Cc1cccc2cc(C(=O)O)cn12 Amb18197445 [0,1,0,0,0,0|2,0,0]=3 967 B14R2.7969 Cc1cccc2cc(C(=O)O)nn12 Amb27471991 [0,1,0,0,0,0|1,0,1]=3 968 B14R2.7969 Cc1cccc2cc(C(=O)O)oc12 Amb33526870 [0,1,0,0,0,0|1,0,0]=2 969 B14R2.7969 Cc1cccc2cc(C(=O)O)sc12 Amb26304262 [0,1,0,0,0,0|1,0,0]=2 970 B14R2.7969 Cc1cccc2cc(C(C)O)sc12 Amb28368806 [0,1,0,0,0,0|2,0,1]=4 971 B14R2.7969 Cc1cccc2cc(C(N)=O)oc12 Amb22971891 [0,1,0,0,0,0|2,0,0]=3 972 B14R2.7969 Cc1cccc2cc(S(=O)[O-])sc12 Amb32755606 [0,1,0,0,0,0|2,0,1]=4 973 B14R2.7969 Cc1cccc2nc(C(=O)Cl)oc12 Amb25311752 [0,1,0,0,0,0|2,0,1]=4 974 B14R2.7969 Cc1cccc2nc(C(=O)O)cn12 Amb1548014 [0,1,0,0,0,0|1,0,1]=3 975 B14R2.7969 Cc1cccc2nc(C(=O)O)cn12 Amb2235971 [0,1,0,0,0,0|1,0,1]=3 976 B14R2.7969 Cc1cccc2nc(C(=O)O)cn12 Amb8503502 [0,1,0,0,0,0|1,0,1]=3 977 B14R2.7969 Cc1cccc2nc(C(=O)O)oc12 Amb26445163 [0,1,0,0,0,0|1,0,1]=3 978 B14R2.7969 Cc1cccc2nc(S(=O)O)sc12 Amb32992431 [0,1,0,0,0,0|2,0,1]=4 979 B14R2.7969 Cc1cccc2oc(C(=O)Cl)nc12 Amb25376224 [0,1,0,0,0,0|2,0,1]=4 980 B14R2.7969 Cc1cccc2oc(C(=O)O)cc12 Amb18197060 [0,1,0,0,0,0|1,0,0]=2 981 B14R2.7969 Cc1cccc2oc(C(=O)O)nc12 Amb26375422 [0,1,0,0,0,0|1,0,1]=3 982 B14R2.7969 Cc1cccc2oc(C(N)=O)nc12 Amb26907538 [0,1,0,0,0,0|2,0,1]=4 983 B14R2.7969 Cc1cccc2sc(C(=N)N)cc12 Amb27670149 [0,1,0,0,0,0|3,0,0]=4 984 B14R2.7969 Cc1cccc2sc(C(=O)O)cc12 Amb5328963 [0,1,0,0,0,0|1,0,0]=2 985 B14R2.7969 Cc1cccc2sc(C(C)O)cc12 Amb28323627 [0,1,0,0,0,0|2,0,1]=4 986 B14R2.7969 Cc1cccc2sc(C(N)=O)cc12 Amb27667223 [0,1,0,0,0,0|2,0,0]=3 987 B14R2.7969 Cc1cccn2cc(C(=O)O)cc12 Amb3939922 [0,1,0,0,0,0|2,0,0]=3 988 B14R2.7969 Cc1cccn2cc(C(=O)O)nc12 Amb17622304 [0,1,0,0,0,0|1,0,1]=3 989 B14R2.7969 Cc1cccn2cc(C(=O)O)nc12 Amb2235972 [0,1,0,0,0,0|1,0,1]=3 990 B14R2.7969 Cc1cccn2cc(C(=O)O)nc12 Amb35788564 [0,1,0,0,0,0|1,0,1]=3 991 B14R2.7969 Cc1cccn2nc(C(=O)O)cc12 Amb26512649 [0,1,0,0,0,0|1,0,1]=3 992 B14R2.7969 Cc1ccnc2cc(C(=O)O)nn12 Amb18196428 [0,1,0,0,0,0|2,0,1]=4 993 B14R2.7969 Cc1ccnc2nc(C(=O)O)oc12 Amb32691503 [0,1,0,0,0,0|2,0,1]=4 994 B14R2.7969 Cc1ccnc2oc(C(=O)O)cc12 Amb18683844 [0,1,0,0,0,0|2,0,0]=3 995 B14R2.7969 Cc1ccnc2sc(C(=O)O)cc12 Amb18147615 [0,1,0,0,0,0|2,0,0]=3 996 B14R2.7969 Cc1cncc2cc(C(=O)O)sc12 Amb33166600 [0,1,0,0,0,0|2,0,0]=3 997 B14R2.7969 Cc1cncc2nc(C(=O)O)cn12 Amb10071428 [0,1,0,0,0,0|2,0,1]=4 998 B14R2.7969 Cc1cncn2cc(C(=O)O)nc12 Amb27215744 [0,1,0,0,0,0|2,0,1]=4 999 B14R2.7969 Cc1nccc2nc(C(=O)O)cn12 Amb26638052 [0,1,0,0,0,0|2,0,1]=4 1000 B14R2.7969 Cc1nccn2cc(C(=O)O)cc12 Amb27951282 [0,1,0,0,0,0|3,0,0]=4 1001 B14R2.7969 Cc1ncnc2oc(C(=O)O)cc12 Amb18145735 [0,1,0,0,0,0|3,0,0]=4 1002 B14R2.7969 Cc1ncnc2sc(C(=O)O)cc12 Amb18145654 [0,1,0,0,0,0|3,0,0]=4 1003 B14R2.7969 N=C(N)c1cc2c(Br)cccc2s1 Amb27795129 [0,1,0,0,0,0|3,0,0]=4 1004 B14R2.7969 N=C(N)c1cc2cccc(Br)c2o1 Amb28242985 [0,1,0,0,0,0|3,0,0]=4 1005 B14R2.7969 N=C(N)c1cc2cccc(Cl)c2o1 Amb27618069 [0,1,0,0,0,0|3,0,0]=4 1006 B14R2.7969 N=C(N)c1cc2cccc(I)c2s1 Amb27186128 [0,1,0,0,0,0|3,0,0]=4 1007 B14R2.7969 NC(=O)c1cc2c(Br)cccc2s1 Amb21926799 [0,1,0,0,0,0|2,0,0]=3 1008 B14R2.7969 NC(=O)c1cc2c(Br)cncc2s1 Amb24697489 [0,1,0,0,0,0|3,0,0]=4 1009 B14R2.7969 NC(=O)c1cc2c(Cl)cccc2s1 Amb25894519 [0,1,0,0,0,0|2,0,0]=3 1010 B14R2.7969 NC(=O)c1cc2c(Cl)cncc2s1 Amb27608438 [0,1,0,0,0,0|3,0,0]=4 1011 B14R2.7969 NC(=O)c1cc2c(N)cccc2o1 Amb23402656 [0,1,0,0,0,0|2,0,0]=3 1012 B14R2.7969 NC(=O)c1cc2c(O)cccc2s1 Amb32659704 [0,1,0,0,0,0|2,0,0]=3 1013 B14R2.7969 NC(=O)c1cc2cccc(F)c2o1 Amb28127536 [0,1,0,0,0,0|2,0,0]=3 1014 B14R2.7969 NC(=O)c1cc2cccc(N)c2o1 Amb27796333 [0,1,0,0,0,0|2,0,0]=3 1015 B14R2.7969 NC(=O)c1cc2nccc(Cl)c2s1 Amb26646794 [0,1,0,0,0,0|3,0,0]=4 1016 B14R2.7969 NC(=O)c1cn2c(Br)cccc2n1 Amb32424031 [0,1,0,0,0,0|2,0,1]=4 1017 B14R2.7969 NC(=O)c1nc2c(Cl)cccc2o1 Amb24537141 [0,1,0,0,0,0|2,0,1]=4 1018 B14R2.7969 NC(=O)c1nc2c(F)cccc2o1 Amb26572994 [0,1,0,0,0,0|2,0,1]=4 1019 B14R2.7969 NC(=O)c1nc2c(I)cccc2o1 Amb25973112 [0,1,0,0,0,0|2,0,1]=4 1020 B14R2.7969 NC(=O)c1nc2c(O)cccc2s1 Amb27972286 [0,1,0,0,0,0|2,0,1]=4 1021 B14R2.7969 NC(=O)c1nc2c(S)cccc2o1 Amb25941979 [0,1,0,0,0,0|2,0,1]=4 1022 B14R2.7969 NC(=O)c1nc2cccc(Cl)c2o1 Amb26346531 [0,1,0,0,0,0|2,0,1]=4 1023 B14R2.7969 NC(=O)c1nc2cccc(I)c2o1 Amb24537150 [0,1,0,0,0,0|2,0,1]=4 1024 B14R2.7969 NC(=O)c1nc2cccc(O)c2o1 Amb26005380 [0,1,0,0,0,0|2,0,1]=4 1025 B14R2.7969 NC(=O)c1nc2cccc(S)c2o1 Amb24537152 [0,1,0,0,0,0|2,0,1]=4 1026 B14R2.7969 Nc1cccc2c1N[C@@H](C(=O)O)C2 Amb27194985 [0,1,0,0,0,0|0,0,2]=3 1027 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb17606143 [0,1,0,0,0,0|1,0,0]=2 1028 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb9197957 [0,1,0,0,0,0|1,0,0]=2 1029 B14R2.7969 Nc1cccc2cc(C(=O)O)sc12 Amb27771092 [0,1,0,0,0,0|1,0,0]=2 1030 B14R2.7969 Nc1cccc2nc(C(=O)O)cn12 Amb24328820 [0,1,0,0,0,0|1,0,1]=3 1031 B14R2.7969 Nc1cccc2nc(C(=O)O)oc12 Amb27616162 [0,1,0,0,0,0|1,0,1]=3 1032 B14R2.7969 Nc1cccc2oc(C(=O)O)cc12 Amb18670700 [0,1,0,0,0,0|1,0,0]=2 1033 B14R2.7969 Nc1cccc2sc(C(=O)O)cc12 Amb18138384 [0,1,0,0,0,0|1,0,0]=2 1034 B14R2.7969 Nc1cccn2cc(C(=O)O)cc12 Amb18196957 [0,1,0,0,0,0|2,0,0]=3 1035 B14R2.7969 Nc1cccn2cc(C(=O)O)nc12 Amb16230783 [0,1,0,0,0,0|1,0,1]=3 1036 B14R2.7969 Nc1ccnc2cc(C(=O)O)nn12 Amb26056566 [0,1,0,0,0,0|2,0,1]=4 1037 B14R2.7969 Nc1ccnc2nc(C(=O)O)cn12 Amb27462551 [0,1,0,0,0,0|2,0,1]=4 1038 B14R2.7969 Nc1ccnc2sc(C(=O)O)cc12 Amb27636519 [0,1,0,0,0,0|2,0,0]=3 1039 B14R2.7969 Nc1cncc2sc(C(=O)O)cc12 Amb18190021 [0,1,0,0,0,0|2,0,0]=3 1040 B14R2.7969 Nc1nccc2oc(C(=O)O)cc12 Amb23539076 [0,1,0,0,0,0|2,0,0]=3 1041 B14R2.7969 Nc1ncnc2sc(C(=O)O)cc12 Amb27623211 [0,1,0,0,0,0|3,0,0]=4 1042 B14R2.7969 O=C(Cl)C1=CN2C=CC=C(Br)C2N1 Amb26423379 [0,1,0,0,0,0|2,0,1]=4 1043 B14R2.7969 O=C(Cl)c1cc2c(Br)cccc2s1 Amb19895164 [0,1,0,0,0,0|2,0,0]=3 1044 B14R2.7969 O=C(Cl)c1cc2c(Cl)cccc2s1 Amb27442152 [0,1,0,0,0,0|2,0,0]=3 1045 B14R2.7969 O=C(Cl)c1cc2c(Cl)nccc2o1 Amb32674293 [0,1,0,0,0,0|3,0,0]=4 1046 B14R2.7969 O=C(Cl)c1cc2cccc(Br)c2s1 Amb27777006 [0,1,0,0,0,0|2,0,0]=3 1047 B14R2.7969 O=C(Cl)c1cc2cccc(Cl)c2s1 Amb27848644 [0,1,0,0,0,0|2,0,0]=3 1048 B14R2.7969 O=C(Cl)c1nc2c(Br)cccc2o1 Amb24679375 [0,1,0,0,0,0|2,0,1]=4 1049 B14R2.7969 O=C(Cl)c1nc2c(Cl)cccc2o1 Amb27441951 [0,1,0,0,0,0|2,0,1]=4 1050 B14R2.7969 O=C(Cl)c1nc2c(I)cccc2o1 Amb24628297 [0,1,0,0,0,0|2,0,1]=4 1051 B14R2.7969 O=C(Cl)c1nc2c(O)cccc2o1 Amb25942226 [0,1,0,0,0,0|2,0,1]=4 1052 B14R2.7969 O=C(Cl)c1nc2c(O)cccc2s1 Amb26995763 [0,1,0,0,0,0|2,0,1]=4 1053 B14R2.7969 O=C(Cl)c1nc2c(S)cccc2o1 Amb25312569 [0,1,0,0,0,0|2,0,1]=4 1054 B14R2.7969 O=C(Cl)c1nc2cccc(Br)c2o1 Amb24638209 [0,1,0,0,0,0|2,0,1]=4 1055 B14R2.7969 O=C(Cl)c1nc2cccc(Cl)c2o1 Amb27968118 [0,1,0,0,0,0|2,0,1]=4 1056 B14R2.7969 O=C(Cl)c1nc2cccc(F)c2o1 Amb27441952 [0,1,0,0,0,0|2,0,1]=4 1057 B14R2.7969 O=C(Cl)c1nc2cccc(I)c2o1 Amb24727660 [0,1,0,0,0,0|2,0,1]=4 1058 B14R2.7969 O=C(Cl)c1nc2cccc(O)c2o1 Amb27844589 [0,1,0,0,0,0|2,0,1]=4 1059 B14R2.7969 O=C(Cl)c1nc2cccc(O)c2s1 Amb27618420 [0,1,0,0,0,0|2,0,1]=4 1060 B14R2.7969 O=C(Cl)c1nc2cccc(S)c2o1 Amb24628298 [0,1,0,0,0,0|2,0,1]=4 1061 B14R2.7969 O=C(O)C1=CN2=C(O)C=CN=C2N1 Amb31128506 [0,1,0,0,0,0|2,0,0]=3 1062 B14R2.7969 O=C(O)C1=CN2C(=O)C=CN=C2N1 Amb18194986 [0,1,0,0,0,0|2,0,0]=3 1063 B14R2.7969 O=C(O)C1=CN2CC=CC(Br)=C2N1 Amb27879011 [0,1,0,0,0,0|1,0,1]=3 1064 B14R2.7969 O=C(O)C1Cc2c(Br)cccc2O1 Amb33167048 [0,1,0,0,0,0|1,0,2]=4 1065 B14R2.7969 O=C(O)C1Cc2c(Cl)cccc2O1 Amb26980965 [0,1,0,0,0,0|1,0,2]=4 1066 B14R2.7969 O=C(O)C1Cc2c(F)cccc2N1 Amb26066481 [0,1,0,0,0,0|0,0,2]=3 1067 B14R2.7969 O=C(O)C1Cc2c(F)cccc2S1 Amb9765509 [0,1,0,0,0,0|1,0,2]=4 1068 B14R2.7969 O=C(O)C1Cc2cccc(Br)c2C1 Amb18156516 [0,1,0,0,0,0|1,0,2]=4 1069 B14R2.7969 O=C(O)C1Cc2cccc(Br)c2O1 Amb27180897 [0,1,0,0,0,0|1,0,2]=4 1070 B14R2.7969 O=C(O)C1Cc2cccc(Cl)c2C1 Amb24740757 [0,1,0,0,0,0|1,0,2]=4 1071 B14R2.7969 O=C(O)C1Cc2cccc(Cl)c2N1 Amb27831484 [0,1,0,0,0,0|0,0,2]=3 1072 B14R2.7969 O=C(O)C1Cc2cccc(Cl)c2O1 Amb22235978 [0,1,0,0,0,0|1,0,2]=4 1073 B14R2.7969 O=C(O)C1Cc2cccc(F)c2O1 Amb19148286 [0,1,0,0,0,0|1,0,2]=4 1074 B14R2.7969 O=C(O)[C@@H]1Cc2c(I)cccc2N1 Amb27398479 [0,1,0,0,0,0|0,0,2]=3 1075 B14R2.7969 O=C(O)[C@H]1Cc2c(F)cccc2N1 Amb27948148 [0,1,0,0,0,0|0,0,2]=3 1076 B14R2.7969 O=C(O)[C@H]1Cc2cccc(Br)c2N1 Amb27225980 [0,1,0,0,0,0|0,0,2]=3 1077 B14R2.7969 O=C(O)[C@H]1Cc2cccc(F)c2N1 Amb27976362 [0,1,0,0,0,0|0,0,2]=3 1078 B14R2.7969 O=C(O)c1cc2c(Br)cccc2o1 Amb18730278 [0,1,0,0,0,0|1,0,0]=2 1079 B14R2.7969 O=C(O)c1cc2c(Br)cccc2s1 Amb5328957 [0,1,0,0,0,0|1,0,0]=2 1080 B14R2.7969 O=C(O)c1cc2c(Br)cccn2n1 Amb21857518 [0,1,0,0,0,0|1,0,1]=3 1081 B14R2.7969 O=C(O)c1cc2c(Br)cncc2s1 Amb22170152 [0,1,0,0,0,0|2,0,0]=3 1082 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2o1 Amb18652523 [0,1,0,0,0,0|1,0,0]=2 1083 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2s1 Amb43692 [0,1,0,0,0,0|1,0,0]=2 1084 B14R2.7969 O=C(O)c1cc2c(Cl)cccn2c1 Amb25794750 [0,1,0,0,0,0|2,0,0]=3 1085 B14R2.7969 O=C(O)c1cc2c(Cl)cccn2n1 Amb31156581 [0,1,0,0,0,0|1,0,1]=3 1086 B14R2.7969 O=C(O)c1cc2c(Cl)ccnc2s1 Amb33549375 [0,1,0,0,0,0|2,0,0]=3 1087 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2o1 Amb18188192 [0,1,0,0,0,0|2,0,0]=3 1088 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2s1 Amb25366041 [0,1,0,0,0,0|2,0,0]=3 1089 B14R2.7969 O=C(O)c1cc2c(Cl)nccc2o1 Amb18130436 [0,1,0,0,0,0|2,0,0]=3 1090 B14R2.7969 O=C(O)c1cc2c(Cl)nccc2s1 Amb19957352 [0,1,0,0,0,0|2,0,0]=3 1091 B14R2.7969 O=C(O)c1cc2c(Cl)nccn2c1 Amb27665852 [0,1,0,0,0,0|3,0,0]=4 1092 B14R2.7969 O=C(O)c1cc2c(Cl)ncnc2s1 Amb22737460 [0,1,0,0,0,0|3,0,0]=4 1093 B14R2.7969 O=C(O)c1cc2c(F)cccc2o1 Amb18824571 [0,1,0,0,0,0|1,0,0]=2 1094 B14R2.7969 O=C(O)c1cc2c(F)cccc2s1 Amb1215726 [0,1,0,0,0,0|1,0,0]=2 1095 B14R2.7969 O=C(O)c1cc2c(F)cccn2c1 Amb28280094 [0,1,0,0,0,0|2,0,0]=3 1096 B14R2.7969 O=C(O)c1cc2c(F)cncc2s1 Amb24087198 [0,1,0,0,0,0|2,0,0]=3 1097 B14R2.7969 O=C(O)c1cc2c(O)cccc2o1 Amb27241405 [0,1,0,0,0,0|1,0,0]=2 1098 B14R2.7969 O=C(O)c1cc2c(O)cccc2s1 Amb24392528 [0,1,0,0,0,0|1,0,0]=2 1099 B14R2.7969 O=C(O)c1cc2c(O)nccc2o1 Amb26053848 [0,1,0,0,0,0|2,0,0]=3 1100 B14R2.7969 O=C(O)c1cc2c(s1)C(=O)C=CN2 Amb18189572 [0,1,0,0,0,0|2,0,0]=3 1101 B14R2.7969 O=C(O)c1cc2c(s1)C(=O)NC=C2 Amb27668154 [0,1,0,0,0,0|2,0,0]=3 1102 B14R2.7969 O=C(O)c1cc2c(s1)N=CNC2=O Amb18189071 [0,1,0,0,0,0|3,0,0]=4 1103 B14R2.7969 O=C(O)c1cc2cccc(Br)c2o1 Amb7969836 [0,1,0,0,0,0|1,0,0]=2 1104 B14R2.7969 O=C(O)c1cc2cccc(Br)c2s1 Amb19894989 [0,1,0,0,0,0|1,0,0]=2 1105 B14R2.7969 O=C(O)c1cc2cccc(Br)n2n1 Amb25825264 [0,1,0,0,0,0|1,0,1]=3 1106 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2o1 Amb8875416 [0,1,0,0,0,0|1,0,0]=2 1107 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2s1 Amb5328932 [0,1,0,0,0,0|1,0,0]=2 1108 B14R2.7969 O=C(O)c1cc2cccc(Cl)n2c1 Amb35789068 [0,1,0,0,0,0|2,0,0]=3 1109 B14R2.7969 O=C(O)c1cc2cccc(F)c2o1 Amb8873734 [0,1,0,0,0,0|1,0,0]=2 1110 B14R2.7969 O=C(O)c1cc2cccc(F)c2s1 Amb6384468 [0,1,0,0,0,0|1,0,0]=2 1111 B14R2.7969 O=C(O)c1cc2cccc(O)c2o1 Amb13881925 [0,1,0,0,0,0|1,0,0]=2 1112 B14R2.7969 O=C(O)c1cc2cccc(O)c2s1 Amb18130068 [0,1,0,0,0,0|1,0,0]=2 1113 B14R2.7969 O=C(O)c1cc2ccnc(Cl)c2s1 Amb26314011 [0,1,0,0,0,0|2,0,0]=3 1114 B14R2.7969 O=C(O)c1cc2cncc(Br)c2s1 Amb32677691 [0,1,0,0,0,0|2,0,0]=3 1115 B14R2.7969 O=C(O)c1cc2cncc(I)c2o1 Amb27448102 [0,1,0,0,0,0|2,0,0]=3 1116 B14R2.7969 O=C(O)c1cc2n(c1)C=CNC2=O Amb24684570 [0,1,0,0,0,0|3,0,0]=4 1117 B14R2.7969 O=C(O)c1cc2n(n1)C=CNC2=O Amb31188350 [0,1,0,0,0,0|2,0,1]=4 1118 B14R2.7969 O=C(O)c1cc2nccc(Br)n2n1 Amb25725988 [0,1,0,0,0,0|2,0,1]=4 1119 B14R2.7969 O=C(O)c1cc2nccc(Cl)c2s1 Amb22494146 [0,1,0,0,0,0|2,0,0]=3 1120 B14R2.7969 O=C(O)c1cc2nccc(Cl)n2n1 Amb27231613 [0,1,0,0,0,0|2,0,1]=4 1121 B14R2.7969 O=C(O)c1cc2ncnc(Cl)c2s1 Amb19958502 [0,1,0,0,0,0|3,0,0]=4 1122 B14R2.7969 O=C(O)c1cn2c(Br)cccc2n1 Amb17212413 [0,1,0,0,0,0|1,0,1]=3 1123 B14R2.7969 O=C(O)c1cn2c(Cl)cccc2n1 Amb10069970 [0,1,0,0,0,0|1,0,1]=3 1124 B14R2.7969 O=C(O)c1cn2c(Cl)ccnc2n1 Amb25131666 [0,1,0,0,0,0|2,0,1]=4 1125 B14R2.7969 O=C(O)c1cn2c(F)ccnc2n1 Amb25836869 [0,1,0,0,0,0|2,0,1]=4 1126 B14R2.7969 O=C(O)c1cn2c(n1)C(=O)NC=C2 Amb32992267 [0,1,0,0,0,0|2,0,1]=4 1127 B14R2.7969 O=C(O)c1cn2cccc(Br)c2n1 Amb33548992 [0,1,0,0,0,0|1,0,1]=3 1128 B14R2.7969 O=C(O)c1cn2cccc(Cl)c2n1 Amb21964695 [0,1,0,0,0,0|1,0,1]=3 1129 B14R2.7969 O=C(O)c1cn2cccc(F)c2n1 Amb21964412 [0,1,0,0,0,0|1,0,1]=3 1130 B14R2.7969 O=C(O)c1cn2cccc(O)c2n1 Amb17206324 [0,1,0,0,0,0|1,0,1]=3 1131 B14R2.7969 O=C(O)c1cn2cccc(O)c2n1 Amb22034884 [0,1,0,0,0,0|1,0,1]=3 1132 B14R2.7969 O=C(O)c1cn2ccnc(Cl)c2n1 Amb25935069 [0,1,0,0,0,0|2,0,1]=4 1133 B14R2.7969 O=C(O)c1nc2c(Br)cccc2s1 Amb18671236 [0,1,0,0,0,0|1,0,1]=3 1134 B14R2.7969 O=C(O)c1nc2c(Br)cccn2n1 Amb28071224 [0,1,0,0,0,0|2,0,1]=4 1135 B14R2.7969 O=C(O)c1nc2c(Cl)cccc2o1 Amb26520995 [0,1,0,0,0,0|1,0,1]=3 1136 B14R2.7969 O=C(O)c1nc2c(Cl)cccc2s1 Amb18671237 [0,1,0,0,0,0|1,0,1]=3 1137 B14R2.7969 O=C(O)c1nc2c(Cl)nccc2o1 Amb28348480 [0,1,0,0,0,0|2,0,1]=4 1138 B14R2.7969 O=C(O)c1nc2c(F)cccc2o1 Amb24658774 [0,1,0,0,0,0|1,0,1]=3 1139 B14R2.7969 O=C(O)c1nc2c(F)cccc2s1 Amb18671242 [0,1,0,0,0,0|1,0,1]=3 1140 B14R2.7969 O=C(O)c1nc2c(I)cccc2o1 Amb27246561 [0,1,0,0,0,0|1,0,1]=3 1141 B14R2.7969 O=C(O)c1nc2c(O)cccc2s1 Amb24648802 [0,1,0,0,0,0|1,0,1]=3 1142 B14R2.7969 O=C(O)c1nc2c(S)cccc2o1 Amb27796380 [0,1,0,0,0,0|1,0,1]=3 1143 B14R2.7969 O=C(O)c1nc2cccc(Br)c2s1 Amb10603901 [0,1,0,0,0,0|1,0,1]=3 1144 B14R2.7969 O=C(O)c1nc2cccc(Br)n2n1 Amb27177357 [0,1,0,0,0,0|2,0,1]=4 1145 B14R2.7969 O=C(O)c1nc2cccc(Cl)c2o1 Amb25157758 [0,1,0,0,0,0|1,0,1]=3 1146 B14R2.7969 O=C(O)c1nc2cccc(F)c2o1 Amb27473240 [0,1,0,0,0,0|1,0,1]=3 1147 B14R2.7969 O=C(O)c1nc2cccc(F)c2s1 Amb22497281 [0,1,0,0,0,0|1,0,1]=3 1148 B14R2.7969 O=C(O)c1nc2cccc(I)c2o1 Amb25940274 [0,1,0,0,0,0|1,0,1]=3 1149 B14R2.7969 O=C(O)c1nc2cccc(O)c2o1 Amb26907713 [0,1,0,0,0,0|1,0,1]=3 1150 B14R2.7969 O=C(O)c1nc2cccc(O)c2s1 Amb24726068 [0,1,0,0,0,0|1,0,1]=3 1151 B14R2.7969 O=C(O)c1nc2cccc(S)c2o1 Amb27211265 [0,1,0,0,0,0|1,0,1]=3 1152 B14R2.7969 O=C(O)c1nc2cncc(Br)c2o1 Amb32691512 [0,1,0,0,0,0|2,0,1]=4 1153 B14R2.7969 O=C(O)c1nc2nccc(Br)c2o1 Amb32691504 [0,1,0,0,0,0|2,0,1]=4 1154 B14R2.7969 O=C(O)c1nc2nccc(Cl)c2o1 Amb32691498 [0,1,0,0,0,0|2,0,1]=4 1155 B14R2.7969 O=S(O)c1nc2cccc(F)c2s1 Amb32992432 [0,1,0,0,0,0|2,0,1]=4 1156 B14R2.7969 O=[N+]([O-])c1cc2c(Cl)cccc2s1 Amb27209310 [0,1,0,0,0,0|2,0,1]=4 1157 B14R2.7969 O=[N+]([O-])c1cc2c(O)cccc2s1 Amb5719739 [0,1,0,0,0,0|2,0,1]=4 1158 B14R2.7969 O=[N+]([O-])c1cc2cccc(O)c2o1 Amb22749454 [0,1,0,0,0,0|2,0,1]=4 1159 B14R2.7969 OB(O)c1cc2c(Br)cccc2s1 Amb27237256 [0,1,0,0,0,0|2,0,1]=4 1160 B14R2.7969 OB(O)c1cc2c(F)cccc2o1 Amb26927021 [0,1,0,0,0,0|2,0,1]=4 1161 B14R2.7969 OB(O)c1cc2c(F)cccc2s1 Amb24511511 [0,1,0,0,0,0|2,0,1]=4 1162 B14R2.7969 OB(O)c1cc2c(O)cccc2s1 Amb24539395 [0,1,0,0,0,0|2,0,1]=4 1163 B14R2.7969 OB(O)c1cc2cccc(Br)c2s1 Amb27874491 [0,1,0,0,0,0|2,0,1]=4 1164 B14R2.7969 OB(O)c1cc2cccc(Cl)c2s1 Amb19372927 [0,1,0,0,0,0|2,0,1]=4 1165 B14R2.7969 OB(O)c1cc2cccc(F)c2o1 Amb25161255 [0,1,0,0,0,0|2,0,1]=4 1166 B14R2.7969 OB(O)c1cc2cccc(F)c2s1 Amb33529673 [0,1,0,0,0,0|2,0,1]=4 1167 B12R1.43 C=C(C)C(=O)Nc1ccccc1 Amb6384289 [0,0,1,0,0,0|3,0,0]=4 1168 B12R1.43 C=C(C)C(=S)Nc1ccccc1 Amb28243811 [0,0,1,0,0,0|3,0,0]=4 1169 B12R1.43 C=C(Cc1ccccc1)C(=O)Cl Amb27416413 [0,0,1,0,0,0|2,0,0]=3 1170 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [0,0,1,0,0,0|1,0,0]=2 1171 B12R1.43 C=C(Cc1ccccc1)[N+](=O)[O-] Amb33295355 [0,0,1,0,0,0|2,0,1]=4 1172 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,0,1,0,0,0|2,0,0]=3 1173 B12R1.43 C=C(Cc1ccncc1)C(=O)O Amb27389258 [0,0,1,0,0,0|2,0,0]=3 1174 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 Amb27751263 [0,0,1,0,0,0|3,0,0]=4 1175 B12R1.43 C=C(Sc1ccccc1)C(C)O Amb27764800 [0,0,1,0,0,0|2,0,1]=4 1176 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,0,1,0,0,0|2,0,1]=4 1177 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [0,0,1,0,0,0|2,0,0]=3 1178 B12R1.43 CC(=O)C(=O)Nc1cccnc1 Amb28319843 [0,0,1,0,0,0|3,0,0]=4 1179 B12R1.43 CC(=O)C(C)Nc1ccccc1 Amb28246424 [0,0,1,0,0,0|1,0,2]=4 1180 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb1099237 [0,0,1,0,0,0|1,0,2]=4 1181 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb2600540 [0,0,1,0,0,0|1,0,2]=4 1182 B12R1.43 CC(=O)N(C)Nc1ccccc1 Amb22359748 [0,0,1,0,0,0|2,0,1]=4 1183 B12R1.43 CC(=O)[C@@H](N)Cc1ccccc1 Amb27874005 [0,0,1,0,0,0|1,0,2]=4 1184 B12R1.43 CC(=O)[C@H](N)Cc1ccccc1 Amb35588699 [0,0,1,0,0,0|1,0,2]=4 1185 B12R1.43 CC(=O)\C(Br)=C\c1ccccc1 Amb17596166 [0,0,1,0,0,0|2,0,0]=3 1186 B12R1.43 CC(=O)\C(C)=C\c1ccccc1 Amb17594004 [0,0,1,0,0,0|2,0,0]=3 1187 B12R1.43 CC(=O)\C(C)=C\c1cccnc1 Amb25373091 [0,0,1,0,0,0|3,0,0]=4 1188 B12R1.43 CC(=O)\C(C)=N\c1ccccc1 Amb24537849 [0,0,1,0,0,0|1,0,2]=4 1189 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [0,0,1,0,0,0|1,0,2]=4 1190 B12R1.43 CC(Nc1ccccc1)C(=O)O Amb1213440 [0,0,1,0,0,0|0,0,2]=3 1191 B12R1.43 CC(Nc1cccnc1)C(=O)O Amb18270393 [0,0,1,0,0,0|1,0,2]=4 1192 B12R1.43 CC(O)C(=O)Nc1ccccc1 Amb1230509 [0,0,1,0,0,0|2,0,1]=4 1193 B12R1.43 CC(Oc1ccccc1)C(=O)O Amb9702438 [0,0,1,0,0,0|1,0,2]=4 1194 B12R1.43 CC(Sc1ccccc1)C(=O)O Amb9745732 [0,0,1,0,0,0|1,0,2]=4 1195 B12R1.43 CN(O)C(=O)Nc1ccccc1 Amb2691797 [0,0,1,0,0,0|3,0,0]=4 1196 B12R1.43 CN(O)C(=S)Nc1ccccc1 Amb27751298 [0,0,1,0,0,0|3,0,0]=4 1197 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [0,0,1,0,0,0|1,0,2]=4 1198 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)O Amb22801823 [0,0,1,0,0,0|0,0,2]=3 1199 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)O Amb22736710 [0,0,1,0,0,0|1,0,2]=4 1200 B12R1.43 C[C@@H](Sc1ccccc1)C(=O)O Amb27425234 [0,0,1,0,0,0|1,0,2]=4 1201 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [0,0,1,0,0,0|1,0,2]=4 1202 B12R1.43 C[C@H](Nc1ccccc1)C(=O)O Amb24434019 [0,0,1,0,0,0|0,0,2]=3 1203 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 Amb27244706 [0,0,1,0,0,0|2,0,1]=4 1204 B12R1.43 C[C@H](Oc1ccccc1)C(=O)O Amb22736711 [0,0,1,0,0,0|1,0,2]=4 1205 B12R1.43 C\C(=C/c1ccccc1)B(O)O Amb26348065 [0,0,1,0,0,0|2,0,1]=4 1206 B12R1.43 C\C(=C/c1ccccc1)C(=N)N Amb32952072 [0,0,1,0,0,0|3,0,0]=4 1207 B12R1.43 C\C(=C/c1ccccc1)C(=O)Cl Amb24061289 [0,0,1,0,0,0|2,0,0]=3 1208 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,0,1,0,0,0|1,0,0]=2 1209 B12R1.43 C\C(=C/c1ccccc1)C(C)O Amb27762014 [0,0,1,0,0,0|2,0,1]=4 1210 B12R1.43 C\C(=C/c1ccccc1)C(N)=S Amb33082670 [0,0,1,0,0,0|2,1,0]=4 1211 B12R1.43 C\C(=C/c1ccccc1)[C@@H](C)O Amb32952077 [0,0,1,0,0,0|2,0,1]=4 1212 B12R1.43 C\C(=C/c1ccccc1)[C@H](C)O Amb27589732 [0,0,1,0,0,0|2,0,1]=4 1213 B12R1.43 C\C(=C/c1ccccc1)[N+](=O)[O-] Amb6320973 [0,0,1,0,0,0|2,0,1]=4 1214 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb30584914 [0,0,1,0,0,0|2,0,0]=3 1215 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb33995393 [0,0,1,0,0,0|2,0,0]=3 1216 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,0,1,0,0,0|2,0,0]=3 1217 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,0,1,0,0,0|2,0,0]=3 1218 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,0,1,0,0,0|2,0,0]=3 1219 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,0,1,0,0,0|2,0,0]=3 1220 B12R1.43 C\C(=C/c1cncnc1)C(=O)O Amb27755121 [0,0,1,0,0,0|3,0,0]=4 1221 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,0,1,0,0,0|1,0,0]=2 1222 B12R1.43 C\C(=C\c1ccccc1)C(N)=S Amb27466528 [0,0,1,0,0,0|2,1,0]=4 1223 B12R1.43 C\C(=C\c1ccccc1)[N+](=O)[O-] Amb21520351 [0,0,1,0,0,0|2,0,1]=4 1224 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,0,1,0,0,0|2,0,0]=3 1225 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,0,1,0,0,0|2,0,0]=3 1226 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,0,1,0,0,0|3,0,0]=4 1227 B12R1.43 N=C(Nc1ccccc1)C(=O)O Amb18645991 [0,0,1,0,0,0|1,0,0]=2 1228 B12R1.43 NC(=O)C(=O)Cc1ccccc1 Amb28119010 [0,0,1,0,0,0|2,0,1]=4 1229 B12R1.43 NC(=O)C(=O)Nc1ccccc1 Amb1859924 [0,0,1,0,0,0|2,0,0]=3 1230 B12R1.43 NC(=O)C(=O)Oc1ccccc1 Amb26619370 [0,0,1,0,0,0|3,0,0]=4 1231 B12R1.43 NC(=O)C(=S)Nc1ccccc1 Amb6316935 [0,0,1,0,0,0|2,0,0]=3 1232 B12R1.43 NC(=O)C(=S)Nc1ccccn1 Amb6870743 [0,0,1,0,0,0|3,0,0]=4 1233 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb20240621 [0,0,1,0,0,0|1,0,2]=4 1234 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb9727200 [0,0,1,0,0,0|1,0,2]=4 1235 B12R1.43 NC(=O)C(N)Oc1ccccc1 Amb25696007 [0,0,1,0,0,0|2,0,1]=4 1236 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb6295777 [0,0,1,0,0,0|1,0,2]=4 1237 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb9825510 [0,0,1,0,0,0|1,0,2]=4 1238 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb16183950 [0,0,1,0,0,0|1,0,2]=4 1239 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb33800758 [0,0,1,0,0,0|1,0,2]=4 1240 B12R1.43 NC(=O)\C(Cl)=C\c1ccccc1 Amb3724521 [0,0,1,0,0,0|2,0,0]=3 1241 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb19958284 [0,0,1,0,0,0|0,0,2]=3 1242 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb9703092 [0,0,1,0,0,0|0,0,2]=3 1243 B12R1.43 NC(Cc1ccccc1)[PH](=O)O Amb27254109 [0,0,1,0,0,0|1,0,2]=4 1244 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb22234042 [0,0,1,0,0,0|1,0,2]=4 1245 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb3788186 [0,0,1,0,0,0|1,0,2]=4 1246 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb22301544 [0,0,1,0,0,0|1,0,2]=4 1247 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb3788187 [0,0,1,0,0,0|1,0,2]=4 1248 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb22728340 [0,0,1,0,0,0|1,0,2]=4 1249 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb32661063 [0,0,1,0,0,0|1,0,2]=4 1250 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb3788185 [0,0,1,0,0,0|1,0,2]=4 1251 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)Cl Amb27955901 [0,0,1,0,0,0|1,0,2]=4 1252 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb22351110 [0,0,1,0,0,0|0,0,2]=3 1253 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb3940754 [0,0,1,0,0,0|0,0,2]=3 1254 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)S Amb27407796 [0,0,1,0,0,0|0,1,2]=4 1255 B12R1.43 N[C@@H](Cc1ccccn1)C(=O)O Amb8629055 [0,0,1,0,0,0|1,0,2]=4 1256 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb16231985 [0,0,1,0,0,0|1,0,2]=4 1257 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb22008701 [0,0,1,0,0,0|1,0,2]=4 1258 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb8395968 [0,0,1,0,0,0|1,0,2]=4 1259 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb22745959 [0,0,1,0,0,0|1,0,2]=4 1260 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb2699212 [0,0,1,0,0,0|1,0,2]=4 1261 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O Amb2725663 [0,0,1,0,0,0|0,0,2]=3 1262 B12R1.43 N[C@H](Cc1ccccn1)C(=O)O Amb8390365 [0,0,1,0,0,0|1,0,2]=4 1263 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb19930749 [0,0,1,0,0,0|1,0,2]=4 1264 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb22008700 [0,0,1,0,0,0|1,0,2]=4 1265 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb6295898 [0,0,1,0,0,0|1,0,2]=4 1266 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb19944301 [0,0,1,0,0,0|1,0,2]=4 1267 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb6336423 [0,0,1,0,0,0|1,0,2]=4 1268 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,0,1,0,0,0|0,0,0]=1 1269 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,0,1,0,0,0|2,0,0]=3 1270 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,0,1,0,0,0|0,0,0]=1 1271 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,0,1,0,0,0|1,0,0]=2 1272 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,0,1,0,0,0|2,0,0]=3 1273 B12R1.43 O=C(Cl)\C(F)=C/c1ccccc1 Amb27416385 [0,0,1,0,0,0|2,0,0]=3 1274 B12R1.43 O=C(O)C(=O)C[n+]1ccccc1 Amb28287668 [0,0,1,0,0,0|2,0,1]=4 1275 B12R1.43 O=C(O)C(=O)Cc1ccccc1 Amb2718694 [0,0,1,0,0,0|1,0,1]=3 1276 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb17477815 [0,0,1,0,0,0|2,0,1]=4 1277 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb32952891 [0,0,1,0,0,0|2,0,1]=4 1278 B12R1.43 O=C(O)C(=O)Cc1cccnc1 Amb17232515 [0,0,1,0,0,0|2,0,1]=4 1279 B12R1.43 O=C(O)C(=O)Cc1ccncc1 Amb17477816 [0,0,1,0,0,0|2,0,1]=4 1280 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,0,1,0,0,0|1,0,0]=2 1281 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,0|2,0,0]=3 1282 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,0|2,0,0]=3 1283 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,0,1,0,0,0|2,0,0]=3 1284 B12R1.43 O=C(O)C(=O)Nc1ncccn1 Amb9303944 [0,0,1,0,0,0|3,0,0]=4 1285 B12R1.43 O=C(O)C(=S)Nc1ccccc1 Amb10558556 [0,0,1,0,0,0|1,0,0]=2 1286 B12R1.43 O=C(O)C(=S)Oc1ccccc1 Amb27484078 [0,0,1,0,0,0|2,0,0]=3 1287 B12R1.43 O=C(O)C(Br)Cc1ccccc1 Amb8392806 [0,0,1,0,0,0|1,0,2]=4 1288 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 Amb17204339 [0,0,1,0,0,0|1,0,2]=4 1289 B12R1.43 O=C(O)C(Cl)Sc1ccccc1 Amb27797220 [0,0,1,0,0,0|2,0,1]=4 1290 B12R1.43 O=C(O)C(F)Cc1ccccc1 Amb27863462 [0,0,1,0,0,0|1,0,2]=4 1291 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [0,0,1,0,0,0|1,0,2]=4 1292 B12R1.43 O=C(O)C(O)Oc1ccccc1 Amb27645391 [0,0,1,0,0,0|2,0,1]=4 1293 B12R1.43 O=C(O)C(S)Cc1ccccc1 Amb18289035 [0,0,1,0,0,0|1,0,2]=4 1294 B12R1.43 O=C(O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,0,1,0,0,0|1,0,2]=4 1295 B12R1.43 O=C(O)[C@@H](F)Cc1ccccc1 Amb27983597 [0,0,1,0,0,0|1,0,2]=4 1296 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [0,0,1,0,0,0|1,0,2]=4 1297 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [0,0,1,0,0,0|1,0,2]=4 1298 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,0,1,0,0,0|1,0,0]=2 1299 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,0,1,0,0,0|1,0,0]=2 1300 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,0,1,0,0,0|1,0,0]=2 1301 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,0,1,0,0,0|2,0,0]=3 1302 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,0,1,0,0,0|1,0,0]=2 1303 B12R1.43 O=C(O)\C(F)=C\c1ccccn1 Amb27977069 [0,0,1,0,0,0|2,0,0]=3 1304 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,0,1,0,0,0|2,0,0]=3 1305 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,0,1,0,0,0|2,0,0]=3 1306 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,0,1,0,0,0|3,0,0]=4 1307 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,0,1,0,0,0|1,0,0]=2 1308 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,0,1,0,0,0|1,0,0]=2 1309 B12R1.43 O=C(O)\C(S)=C\c1ccccn1 Amb1761004 [0,0,1,0,0,0|2,0,0]=3 1310 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,0,1,0,0,0|2,0,0]=3 1311 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb19884048 [0,0,1,0,0,0|1,0,2]=4 1312 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb6365780 [0,0,1,0,0,0|1,0,2]=4 1313 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 Amb8393076 [0,0,1,0,0,0|1,0,2]=4 1314 B12R1.43 O=[N+]([O-])\C(F)=C\c1ccccc1 Amb27843539 [0,0,1,0,0,0|2,0,1]=4 1315 B12R1.43 OB(O)\C(F)=C\c1ccccc1 Amb25667549 [0,0,1,0,0,0|2,0,1]=4 1316 B12R1.125 C=C(C)\C=C\c1ccccc1N Amb27627468 [0,0,1,0,0,0|2,0,0]=3 1317 B12R1.125 C=C(C)\C=C\c1ccccc1O Amb25915366 [0,0,1,0,0,0|3,0,0]=4 1318 B12R1.125 CC(=O)CCc1ccccc1N Amb27246247 [0,0,1,0,0,0|1,0,2]=4 1319 B12R1.125 CC(=O)CNc1ccccc1C Amb25062983 [0,0,1,0,0,0|1,0,2]=4 1320 B12R1.125 CC(=O)COc1ccccc1N Amb17110085 [0,0,1,0,0,0|2,0,1]=4 1321 B12R1.125 CC(=O)CSc1ccccc1N Amb17305639 [0,0,1,0,0,0|2,0,1]=4 1322 B12R1.125 CC(=O)NNc1ccccc1C Amb4362488 [0,0,1,0,0,0|2,0,1]=4 1323 B12R1.125 CC(=O)NNc1ccccc1F Amb27414447 [0,0,1,0,0,0|3,0,0]=4 1324 B12R1.125 CC(=O)NNc1ccccc1N Amb18646313 [0,0,1,0,0,0|3,0,0]=4 1325 B12R1.125 CC(=O)OCc1ccccc1N Amb27985013 [0,0,1,0,0,0|2,0,1]=4 1326 B12R1.125 CC(=O)\C=C\C1=CC=CNC1=O Amb25780424 [0,0,1,0,0,0|3,0,0]=4 1327 B12R1.125 CC(=O)\C=C\c1cccc[n+]1C Amb3428953 [0,0,1,0,0,0|3,0,0]=4 1328 B12R1.125 CC(=O)\C=C\c1ccccc1Br Amb18068027 [0,0,1,0,0,0|2,0,0]=3 1329 B12R1.125 CC(=O)\C=C\c1ccccc1C Amb32954781 [0,0,1,0,0,0|2,0,0]=3 1330 B12R1.125 CC(=O)\C=C\c1ccccc1Cl Amb2724535 [0,0,1,0,0,0|2,0,0]=3 1331 B12R1.125 CC(=O)\C=C\c1ccccc1F Amb18563599 [0,0,1,0,0,0|2,0,0]=3 1332 B12R1.125 CC(=O)\C=C\c1ccccc1N Amb25975457 [0,0,1,0,0,0|1,0,0]=2 1333 B12R1.125 CC(=O)\C=C\c1ccccc1O Amb24065680 [0,0,1,0,0,0|2,0,0]=3 1334 B12R1.125 CC(=O)\C=C\c1cccnc1Br Amb33388125 [0,0,1,0,0,0|3,0,0]=4 1335 B12R1.125 CC(=O)\C=C\c1cccnc1C Amb32878339 [0,0,1,0,0,0|3,0,0]=4 1336 B12R1.125 CC(=O)\C=C\c1cccnc1Cl Amb33257396 [0,0,1,0,0,0|3,0,0]=4 1337 B12R1.125 CC(=O)\C=C\c1cccnc1F Amb33377142 [0,0,1,0,0,0|3,0,0]=4 1338 B12R1.125 CC(=O)\C=C\c1ccncc1Br Amb33388703 [0,0,1,0,0,0|3,0,0]=4 1339 B12R1.125 CC(=O)\C=C\c1ccncc1C Amb33426426 [0,0,1,0,0,0|3,0,0]=4 1340 B12R1.125 CC(=O)\C=C\c1ccncc1Cl Amb33413822 [0,0,1,0,0,0|3,0,0]=4 1341 B12R1.125 CC(=O)\C=C\c1ccncc1F Amb33316817 [0,0,1,0,0,0|3,0,0]=4 1342 B12R1.125 CC(=O)\C=C\c1cnccc1C Amb33474389 [0,0,1,0,0,0|3,0,0]=4 1343 B12R1.125 CC(=O)\C=C\c1ncccc1Br Amb33336115 [0,0,1,0,0,0|3,0,0]=4 1344 B12R1.125 CC(=O)\C=C\c1ncccc1C Amb33360223 [0,0,1,0,0,0|3,0,0]=4 1345 B12R1.125 CC(=O)\C=C\c1ncccc1F Amb33419610 [0,0,1,0,0,0|3,0,0]=4 1346 B12R1.125 CC(=O)\N=C/c1ccccc1Cl Amb27616938 [0,0,1,0,0,0|3,0,0]=4 1347 B12R1.125 CC(=O)\N=C\c1ccccc1O Amb27592432 [0,0,1,0,0,0|3,0,0]=4 1348 B12R1.125 CC(O)\C=C\c1ccccc1Br Amb25086864 [0,0,1,0,0,0|2,0,1]=4 1349 B12R1.125 CC(O)\C=C\c1ccccc1Cl Amb26073532 [0,0,1,0,0,0|2,0,1]=4 1350 B12R1.125 CC(O)\C=C\c1ccccc1F Amb26539993 [0,0,1,0,0,0|2,0,1]=4 1351 B12R1.125 CS(=O)\C=C/c1ccccc1N Amb28254539 [0,0,1,0,0,0|2,0,0]=3 1352 B12R1.125 Cc1cccc[n+]1\C=C\C(=O)O Amb28366211 [0,0,1,0,0,0|2,0,0]=3 1353 B12R1.125 Cc1ccccc1C#CC(=O)O Amb20673097 [0,0,1,0,0,0|1,0,2]=4 1354 B12R1.125 Cc1ccccc1CCC(=O)O Amb2689629 [0,0,1,0,0,0|1,0,2]=4 1355 B12R1.125 Cc1ccccc1NCC(=O)Cl Amb27400550 [0,0,1,0,0,0|1,0,2]=4 1356 B12R1.125 Cc1ccccc1NCC(=O)O Amb1258286 [0,0,1,0,0,0|0,0,2]=3 1357 B12R1.125 Cc1ccccc1NCC(N)=O Amb845279 [0,0,1,0,0,0|1,0,2]=4 1358 B12R1.125 Cc1ccccc1NNC(N)=O Amb3378061 [0,0,1,0,0,0|2,0,1]=4 1359 B12R1.125 Cc1ccccc1OCC(=O)O Amb1215022 [0,0,1,0,0,0|1,0,2]=4 1360 B12R1.125 Cc1ccccc1SCC(=O)O Amb1205492 [0,0,1,0,0,0|1,0,2]=4 1361 B12R1.125 Cc1ccccc1\C=C/C(=O)O Amb27871584 [0,0,1,0,0,0|1,0,0]=2 1362 B12R1.125 Cc1ccccc1\C=C/[N+](=O)[O-] Amb24537629 [0,0,1,0,0,0|2,0,1]=4 1363 B12R1.125 Cc1ccccc1\C=C\B(O)O Amb22011802 [0,0,1,0,0,0|2,0,1]=4 1364 B12R1.125 Cc1ccccc1\C=C\C(=O)Cl Amb2690621 [0,0,1,0,0,0|2,0,0]=3 1365 B12R1.125 Cc1ccccc1\C=C\C(=O)O Amb6555165 [0,0,1,0,0,0|1,0,0]=2 1366 B12R1.125 Cc1ccccc1\C=C\C(C)O Amb27748478 [0,0,1,0,0,0|2,0,1]=4 1367 B12R1.125 Cc1ccccc1\C=C\C(N)=O Amb8997714 [0,0,1,0,0,0|2,0,0]=3 1368 B12R1.125 Cc1ccccc1\C=C\[N+](=O)[O-] Amb33868901 [0,0,1,0,0,0|2,0,1]=4 1369 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb30584981 [0,0,1,0,0,0|2,0,0]=3 1370 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb32990226 [0,0,1,0,0,0|2,0,0]=3 1371 B12R1.125 Cc1cccnc1\C=C\C(N)=O Amb28127171 [0,0,1,0,0,0|3,0,0]=4 1372 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb17844101 [0,0,1,0,0,0|2,0,0]=3 1373 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb32718732 [0,0,1,0,0,0|2,0,0]=3 1374 B12R1.125 Cc1cnccc1NCC(=O)O Amb27393345 [0,0,1,0,0,0|1,0,2]=4 1375 B12R1.125 Cc1cnccc1\C=C\C(=O)O Amb30584980 [0,0,1,0,0,0|2,0,0]=3 1376 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb28653059 [0,0,1,0,0,0|2,0,0]=3 1377 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb32662803 [0,0,1,0,0,0|2,0,0]=3 1378 B12R1.125 Cc1nccnc1\C=C\C(=O)O Amb35600937 [0,0,1,0,0,0|3,0,0]=4 1379 B12R1.125 Cc1ncncc1\C=C\C(=O)O Amb27193885 [0,0,1,0,0,0|3,0,0]=4 1380 B12R1.125 Cc1nnccc1\C=C\C(=O)O Amb33470115 [0,0,1,0,0,0|3,0,0]=4 1381 B12R1.125 NC(=O)CCc1ccccc1N Amb8941622 [0,0,1,0,0,0|1,0,2]=4 1382 B12R1.125 NC(=O)CNc1ccccc1Br Amb6712122 [0,0,1,0,0,0|2,0,1]=4 1383 B12R1.125 NC(=O)CNc1ccccc1Cl Amb500616 [0,0,1,0,0,0|2,0,1]=4 1384 B12R1.125 NC(=O)CNc1ccccc1F Amb6712534 [0,0,1,0,0,0|2,0,1]=4 1385 B12R1.125 NC(=O)CNc1ccccc1O Amb28323151 [0,0,1,0,0,0|2,0,1]=4 1386 B12R1.125 NC(=O)COc1ccccc1N Amb6662641 [0,0,1,0,0,0|2,0,1]=4 1387 B12R1.125 NC(=O)CSc1ccccc1N Amb1215630 [0,0,1,0,0,0|2,0,1]=4 1388 B12R1.125 NC(=O)NNc1ccccc1F Amb26495079 [0,0,1,0,0,0|3,0,0]=4 1389 B12R1.125 NC(=O)\C=C\c1ccccc1Br Amb8997717 [0,0,1,0,0,0|2,0,0]=3 1390 B12R1.125 NC(=O)\C=C\c1ccccc1F Amb8997697 [0,0,1,0,0,0|2,0,0]=3 1391 B12R1.125 NC(=O)\C=C\c1ccccc1I Amb26608900 [0,0,1,0,0,0|2,0,0]=3 1392 B12R1.125 NC(=O)\C=C\c1ccccc1N Amb28202728 [0,0,1,0,0,0|1,0,0]=2 1393 B12R1.125 NC(=O)\C=C\c1ccccc1O Amb18645808 [0,0,1,0,0,0|2,0,0]=3 1394 B12R1.125 NC(=O)\C=C\c1cnccc1N Amb27878871 [0,0,1,0,0,0|2,0,0]=3 1395 B12R1.125 NC(=O)\N=C\c1ccccc1O Amb27256381 [0,0,1,0,0,0|3,0,0]=4 1396 B12R1.125 NC(=S)\C=C\c1ccccc1Cl Amb27984695 [0,0,1,0,0,0|2,1,0]=4 1397 B12R1.125 NC(=S)\C=C\c1ccccc1O Amb27399525 [0,0,1,0,0,0|2,1,0]=4 1398 B12R1.125 Nc1ccccc1C#CC(=O)O Amb24355867 [0,0,1,0,0,0|0,0,2]=3 1399 B12R1.125 Nc1ccccc1CCC(=O)O Amb17477727 [0,0,1,0,0,0|0,0,2]=3 1400 B12R1.125 Nc1ccccc1CCC(=O)O Amb24118035 [0,0,1,0,0,0|0,0,2]=3 1401 B12R1.125 Nc1ccccc1CCC(=O)[O-] Amb34189651 [0,0,1,0,0,0|0,0,3]=4 1402 B12R1.125 Nc1ccccc1NCS(=O)O Amb27986124 [0,0,1,0,0,0|2,0,1]=4 1403 B12R1.125 Nc1ccccc1OCC(=O)O Amb4065760 [0,0,1,0,0,0|1,0,1]=3 1404 B12R1.125 Nc1ccccc1OCC(=O)[O-] Amb21972214 [0,0,1,0,0,0|1,0,2]=4 1405 B12R1.125 Nc1ccccc1SCC(=O)Cl Amb28073003 [0,0,1,0,0,0|2,0,1]=4 1406 B12R1.125 Nc1ccccc1SCC(=O)O Amb6267584 [0,0,1,0,0,0|1,0,1]=3 1407 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [0,0,1,0,0,0|0,0,0]=1 1408 B12R1.125 Nc1cccnc1NCC(=O)O Amb18989766 [0,0,1,0,0,0|2,0,1]=4 1409 B12R1.125 Nc1cnccc1NCC(=O)O Amb18987716 [0,0,1,0,0,0|2,0,1]=4 1410 B12R1.125 Nc1cnccc1\C=C\C(=O)O Amb4560900 [0,0,1,0,0,0|1,0,0]=2 1411 B12R1.125 Nc1ncccc1\C=C\C(=O)O Amb2697575 [0,0,1,0,0,0|1,0,0]=2 1412 B12R1.125 O=C(Cl)CNc1ccccc1Cl Amb28239488 [0,0,1,0,0,0|2,0,1]=4 1413 B12R1.125 O=C(Cl)\C=C/c1ccccc1Cl Amb10070071 [0,0,1,0,0,0|2,0,0]=3 1414 B12R1.125 O=C(Cl)\C=C\c1ccccc1Br Amb16230254 [0,0,1,0,0,0|2,0,0]=3 1415 B12R1.125 O=C(Cl)\C=C\c1ccccc1Cl Amb8629219 [0,0,1,0,0,0|2,0,0]=3 1416 B12R1.125 O=C(Cl)\C=C\c1ccccc1F Amb2688309 [0,0,1,0,0,0|2,0,0]=3 1417 B12R1.125 O=C(O)C#Cc1ccccc1Br Amb25266206 [0,0,1,0,0,0|1,0,2]=4 1418 B12R1.125 O=C(O)C#Cc1ccccc1Cl Amb2616696 [0,0,1,0,0,0|1,0,2]=4 1419 B12R1.125 O=C(O)C#Cc1ccccc1F Amb7172545 [0,0,1,0,0,0|1,0,2]=4 1420 B12R1.125 O=C(O)C#Cc1ccccc1O Amb25921689 [0,0,1,0,0,0|1,0,2]=4 1421 B12R1.125 O=C(O)CCc1ccccc1Br Amb2685458 [0,0,1,0,0,0|1,0,2]=4 1422 B12R1.125 O=C(O)CCc1ccccc1Cl Amb1209214 [0,0,1,0,0,0|1,0,2]=4 1423 B12R1.125 O=C(O)CCc1ccccc1F Amb6336154 [0,0,1,0,0,0|1,0,2]=4 1424 B12R1.125 O=C(O)CCc1ccccc1I Amb10071543 [0,0,1,0,0,0|1,0,2]=4 1425 B12R1.125 O=C(O)CCc1ccccc1O Amb1211927 [0,0,1,0,0,0|1,0,2]=4 1426 B12R1.125 O=C(O)CCc1ccccc1S Amb18648646 [0,0,1,0,0,0|1,0,2]=4 1427 B12R1.125 O=C(O)CNc1ccccc1Br Amb840526 [0,0,1,0,0,0|1,0,1]=3 1428 B12R1.125 O=C(O)CNc1ccccc1Cl Amb33528017 [0,0,1,0,0,0|1,0,1]=3 1429 B12R1.125 O=C(O)CNc1ccccc1F Amb840521 [0,0,1,0,0,0|1,0,1]=3 1430 B12R1.125 O=C(O)CNc1ccccc1O Amb842591 [0,0,1,0,0,0|1,0,1]=3 1431 B12R1.125 O=C(O)CNc1cccnc1Cl Amb27770209 [0,0,1,0,0,0|2,0,1]=4 1432 B12R1.125 O=C(O)CNc1ccncc1Br Amb27826042 [0,0,1,0,0,0|2,0,1]=4 1433 B12R1.125 O=C(O)CNc1ccncc1F Amb30036425 [0,0,1,0,0,0|2,0,1]=4 1434 B12R1.125 O=C(O)CNc1cnccc1Cl Amb22495942 [0,0,1,0,0,0|2,0,1]=4 1435 B12R1.125 O=C(O)CNc1ncccc1Cl Amb2372425 [0,0,1,0,0,0|2,0,1]=4 1436 B12R1.125 O=C(O)CNc1ncccc1O Amb25891362 [0,0,1,0,0,0|2,0,1]=4 1437 B12R1.125 O=C(O)COc1ccccc1Br Amb6364728 [0,0,1,0,0,0|2,0,1]=4 1438 B12R1.125 O=C(O)COc1ccccc1Cl Amb6336452 [0,0,1,0,0,0|2,0,1]=4 1439 B12R1.125 O=C(O)COc1ccccc1F Amb6335614 [0,0,1,0,0,0|2,0,1]=4 1440 B12R1.125 O=C(O)COc1ccccc1I Amb9339538 [0,0,1,0,0,0|2,0,1]=4 1441 B12R1.125 O=C(O)COc1ccccc1O Amb1030005 [0,0,1,0,0,0|2,0,1]=4 1442 B12R1.125 O=C(O)CSc1ccccc1Br Amb1113386 [0,0,1,0,0,0|2,0,1]=4 1443 B12R1.125 O=C(O)CSc1ccccc1Cl Amb1105912 [0,0,1,0,0,0|2,0,1]=4 1444 B12R1.125 O=C(O)CSc1ccccc1F Amb1105913 [0,0,1,0,0,0|2,0,1]=4 1445 B12R1.125 O=C(O)CSc1ccccc1O Amb18294823 [0,0,1,0,0,0|2,0,1]=4 1446 B12R1.125 O=C(O)\C=C\C1=CN=CNC1=O Amb18646423 [0,0,1,0,0,0|3,0,0]=4 1447 B12R1.125 O=C(O)\C=C\N1C=CC=CC1=S Amb27657743 [0,0,1,0,0,0|2,0,0]=3 1448 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb33718813 [0,0,1,0,0,0|1,0,0]=2 1449 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb6664185 [0,0,1,0,0,0|1,0,0]=2 1450 B12R1.125 O=C(O)\C=C\c1ccccc1Cl Amb6336512 [0,0,1,0,0,0|1,0,0]=2 1451 B12R1.125 O=C(O)\C=C\c1ccccc1F Amb6545502 [0,0,1,0,0,0|1,0,0]=2 1452 B12R1.125 O=C(O)\C=C\c1ccccc1I Amb22584152 [0,0,1,0,0,0|1,0,0]=2 1453 B12R1.125 O=C(O)\C=C\c1ccccc1O Amb8513188 [0,0,1,0,0,0|1,0,0]=2 1454 B12R1.125 O=C(O)\C=C\c1cccnc1Br Amb33451204 [0,0,1,0,0,0|2,0,0]=3 1455 B12R1.125 O=C(O)\C=C\c1cccnc1F Amb33473819 [0,0,1,0,0,0|2,0,0]=3 1456 B12R1.125 O=C(O)\C=C\c1ccncc1Br Amb18659757 [0,0,1,0,0,0|2,0,0]=3 1457 B12R1.125 O=C(O)\C=C\c1ccncc1Cl Amb33261635 [0,0,1,0,0,0|2,0,0]=3 1458 B12R1.125 O=C(O)\C=C\c1ccncc1F Amb26946507 [0,0,1,0,0,0|2,0,0]=3 1459 B12R1.125 O=C(O)\C=C\c1cnccc1O Amb18646198 [0,0,1,0,0,0|2,0,0]=3 1460 B12R1.125 O=C(O)\C=C\c1ncccc1Br Amb25975550 [0,0,1,0,0,0|2,0,0]=3 1461 B12R1.125 O=C(O)\C=C\c1ncccc1Cl Amb26552463 [0,0,1,0,0,0|2,0,0]=3 1462 B12R1.125 O=C(O)\C=C\c1ncccc1F Amb32662908 [0,0,1,0,0,0|2,0,0]=3 1463 B12R1.125 O=C(O)\C=C\c1ncncc1Br Amb33470080 [0,0,1,0,0,0|3,0,0]=4 1464 B12R1.125 O=S([O-])\C=C\c1ccccc1Br Amb32754055 [0,0,1,0,0,0|2,0,1]=4 1465 B12R1.125 O=S([O-])\C=C\c1ccccc1F Amb32754864 [0,0,1,0,0,0|2,0,1]=4 1466 B12R1.125 O=[N+]([O-])\C=C/c1ccccc1F Amb10839832 [0,0,1,0,0,0|2,0,1]=4 1467 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1Cl Amb2762665 [0,0,1,0,0,0|2,0,1]=4 1468 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1Cl Amb33714745 [0,0,1,0,0,0|2,0,1]=4 1469 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1F Amb6876254 [0,0,1,0,0,0|2,0,1]=4 1470 B12R1.125 O=[N+]([O-])\C=C\c1ccccc1O Amb32953488 [0,0,1,0,0,0|2,0,1]=4 1471 B12R1.337 C=CCNc1ccc(C(=O)O)o1 Amb18805577 [0,0,1,0,0,0|2,0,1]=4 1472 B12R1.337 O=C\C=C\c1ccc(C(=O)O)o1 Amb33072948 [0,0,1,0,0,0|2,0,0]=3 1473 B12R1.1335 CC(=O)C1=CCC=CC=CC=C1 Amb25376175 [0,0,1,0,0,0|2,0,1]=4 1474 B12R1.1335 CC(=O)C1C=CC=CC=CC=C1 Amb26590744 [0,0,1,0,0,0|2,0,1]=4 1475 B12R1.1335 CC(=O)n1cccccccc1 Amb26053469 [0,0,1,0,0,0|3,0,0]=4 1476 B14R3.14987 c1ccc2oc(C3CO3)cc2c1 Amb6242985 [0,0,0,1,0,0|2,0,1]=4 1477 B14R3.14987 c1ccc2oc([C@@H]3CO3)cc2c1 Amb24101987 [0,0,0,1,0,0|2,0,1]=4 1478 B14R3.14987 c1ccc2oc([C@H]3CO3)cc2c1 Amb26324165 [0,0,0,1,0,0|2,0,1]=4 1479 B14R3.14987 c1ccc2sc(C3CO3)cc2c1 Amb25039120 [0,0,0,1,0,0|2,0,1]=4 1480 B14R3.14987 c1ccc2sc([C@@H]3CO3)cc2c1 Amb25329423 [0,0,0,1,0,0|2,0,1]=4 1481 B14R3.14987 c1ccc2sc([C@H]3CO3)cc2c1 Amb24684821 [0,0,0,1,0,0|2,0,1]=4 1482 B12R2.252 CC(=O)C1=Cc2cccn2C1 Amb27243839 [0,0,0,0,1,0|3,0,0]=4 1483 B12R2.252 CC(=O)c1cc2ccsc2s1 Amb18823587 [0,0,0,0,1,0|3,0,0]=4 1484 B12R2.252 CC(=O)c1cc2cscc2s1 Amb30026590 [0,0,0,0,1,0|3,0,0]=4 1485 B12R2.252 CC(=O)c1cc2sccc2s1 Amb18823588 [0,0,0,0,1,0|3,0,0]=4 1486 B12R2.252 NC(=O)c1cc2cscc2s1 Amb27459071 [0,0,0,0,1,0|3,0,0]=4 1487 B12R2.252 NC(=O)c1cc2sccc2s1 Amb2766639 [0,0,0,0,1,0|3,0,0]=4 1488 B12R2.252 O=C(Cl)c1cc2cscc2s1 Amb30026656 [0,0,0,0,1,0|3,0,0]=4 1489 B12R2.252 O=C(Cl)c1cc2sccc2s1 Amb27823359 [0,0,0,0,1,0|3,0,0]=4 1490 B12R2.252 O=C(O)C1=CC2=CCSC2=C1 Amb27231717 [0,0,0,0,1,0|2,0,1]=4 1491 B12R2.252 O=C(O)C1Cc2sccc2N1 Amb27174646 [0,0,0,0,1,0|1,0,2]=4 1492 B12R2.252 O=C(O)c1cc2c(s1)CC=[SH]2 Amb27823330 [0,0,0,0,1,0|2,0,1]=4 1493 B12R2.252 O=C(O)c1cc2ccnc2n1 Amb26906005 [0,0,0,0,1,0|1,0,1]=3 1494 B12R2.252 O=C(O)c1cc2ccoc2s1 Amb8010415 [0,0,0,0,1,0|2,0,0]=3 1495 B12R2.252 O=C(O)c1cc2ccsc2s1 Amb2725725 [0,0,0,0,1,0|2,0,0]=3 1496 B12R2.252 O=C(O)c1cc2cnoc2s1 Amb18199126 [0,0,0,0,1,0|3,0,0]=4 1497 B12R2.252 O=C(O)c1cc2cnsc2o1 Amb18145510 [0,0,0,0,1,0|3,0,0]=4 1498 B12R2.252 O=C(O)c1cc2cscc2s1 Amb25698283 [0,0,0,0,1,0|2,0,0]=3 1499 B12R2.252 O=C(O)c1cc2ncnc2n1 Amb18201805 [0,0,0,0,1,0|2,0,1]=4 1500 B12R2.252 O=C(O)c1cc2nncc2n1 Amb18201800 [0,0,0,0,1,0|2,0,1]=4 1501 B12R2.252 O=C(O)c1cc2occc2s1 Amb19374510 [0,0,0,0,1,0|2,0,0]=3 1502 B12R2.252 O=C(O)c1cc2occn2n1 Amb27642699 [0,0,0,0,1,0|2,0,1]=4 1503 B12R2.252 O=C(O)c1cc2sccc2[se]1 Amb2611537 [0,0,0,0,1,0|2,0,0]=3 1504 B12R2.252 O=C(O)c1cc2sccc2o1 Amb18143673 [0,0,0,0,1,0|2,0,0]=3 1505 B12R2.252 O=C(O)c1cc2sccc2s1 Amb2234728 [0,0,0,0,1,0|2,0,0]=3 1506 B12R2.252 O=C(O)c1cc2sccn2c1 Amb27860139 [0,0,0,0,1,0|3,0,0]=4 1507 B12R2.252 O=C(O)c1cc2sccn2n1 Amb33456954 [0,0,0,0,1,0|2,0,1]=4 1508 B12R2.252 O=C(O)c1cn2ccnc2s1 Amb22001489 [0,0,0,0,1,0|3,0,0]=4 1509 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb2688824 [0,0,0,0,1,0|2,0,1]=4 1510 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb33528845 [0,0,0,0,1,0|2,0,1]=4 1511 B12R2.252 O=C(O)c1cn2cncc2s1 Amb18199330 [0,0,0,0,1,0|3,0,0]=4 1512 B12R2.252 O=C(O)c1cn2nccc2o1 Amb27965828 [0,0,0,0,1,0|3,0,0]=4 1513 B12R2.252 O=C(O)c1cn2occc2n1 Amb10071427 [0,0,0,0,1,0|2,0,1]=4 1514 B12R2.3190 CC(=O)C1Cc2ccccc21 Amb28066759 [0,0,0,0,1,0|1,0,2]=4 1515 B12R2.3190 CC(=O)N1Cc2ccccc21 Amb25148191 [0,0,0,0,1,0|2,0,1]=4 1516 B12R2.3190 NC(=O)C1Cc2ccccc21 Amb25064297 [0,0,0,0,1,0|1,0,2]=4 1517 B12R2.3190 O=C(Cl)C1=C2C=CC=CC2=C1 Amb25779648 [0,0,0,0,1,0|1,0,0]=2 1518 B12R2.3190 O=C(Cl)C1Cc2ccccc21 Amb24745572 [0,0,0,0,1,0|1,0,2]=4 1519 B12R2.3190 O=C(O)C1=Cc2ccccc21 Amb17593654 [0,0,0,0,1,0|0,0,0]=1 1520 B12R2.3190 O=C(O)C1Cc2ccccc21 Amb4017188 [0,0,0,0,1,0|0,0,2]=3 1521 B14R2.768 CC(=O)C=C1Nc2ccccc2N1 Amb17845562 [0,0,0,0,0,1|2,0,0]=3 1522 B14R2.768 CC(=O)Cc1cc2ccccc2s1 Amb26568171 [0,0,0,0,0,1|2,0,0]=3 1523 B14R2.768 CC(=O)Cc1cn2ccccc2n1 Amb33148530 [0,0,0,0,0,1|2,0,1]=4 1524 B14R2.768 CC(=O)Cc1nc2ccccc2o1 Amb9205816 [0,0,0,0,0,1|2,0,1]=4 1525 B14R2.768 CC(=O)Cc1nc2ccccc2s1 Amb9205881 [0,0,0,0,0,1|2,0,1]=4 1526 B14R2.768 CC(=O)NC1=Cc2ccccc2C1 Amb27816328 [0,0,0,0,0,1|2,0,0]=3 1527 B14R2.768 CC(=O)Nc1cc2ccccc2o1 Amb22749462 [0,0,0,0,0,1|2,0,0]=3 1528 B14R2.768 CC(=O)Nc1cc2ccccc2s1 Amb25798303 [0,0,0,0,0,1|2,0,0]=3 1529 B14R2.768 CC(=O)Nc1cc2cccnc2s1 Amb27169476 [0,0,0,0,0,1|3,0,0]=4 1530 B14R2.768 CC(=O)Nc1nc2ccccc2s1 Amb6335444 [0,0,0,0,0,1|2,0,1]=4 1531 B14R2.768 CC(=O)Oc1cc2ccccc2s1 Amb27959183 [0,0,0,0,0,1|2,0,0]=3 1532 B14R2.768 CC(=O)Oc1nc2ccccc2s1 Amb6361078 [0,0,0,0,0,1|2,0,1]=4 1533 B14R2.768 CC(=O)\C=C1\Nc2ccccc2O1 Amb23183815 [0,0,0,0,0,1|2,0,0]=3 1534 B14R2.768 CC(O)Cc1cc2ccccc2o1 Amb28318205 [0,0,0,0,0,1|2,0,1]=4 1535 B14R2.768 CC(O)Cc1cc2ccccc2s1 Amb33313235 [0,0,0,0,0,1|2,0,1]=4 1536 B14R2.768 CN(O)Cc1cc2ccccc2s1 Amb33314057 [0,0,0,0,0,1|3,0,0]=4 1537 B14R2.768 CS(=O)Cc1cc2ccccc2o1 Amb27619300 [0,0,0,0,0,1|3,0,0]=4 1538 B14R2.768 C[C@@H](O)Cc1cc2ccccc2s1 Amb33312829 [0,0,0,0,0,1|2,0,1]=4 1539 B14R2.768 C[C@H](O)Cc1cc2ccccc2s1 Amb33312830 [0,0,0,0,0,1|2,0,1]=4 1540 B14R2.768 C\C(Br)=C\c1cc2ccccc2s1 Amb27209235 [0,0,0,0,0,1|3,0,0]=4 1541 B14R2.768 FC(F)=Cc1cc2ccccc2o1 Amb28323566 [0,0,0,0,0,1|3,0,0]=4 1542 B14R2.768 N=C(N)Cc1cc2ccccc2s1 Amb33312149 [0,0,0,0,0,1|3,0,0]=4 1543 B14R2.768 NC(=O)C=C1Nc2ccccc2N1 Amb27453575 [0,0,0,0,0,1|2,0,0]=3 1544 B14R2.768 NC(=O)Cc1cc2ccccc2o1 Amb27634846 [0,0,0,0,0,1|2,0,0]=3 1545 B14R2.768 NC(=O)Cc1nc2ccccc2o1 Amb27955905 [0,0,0,0,0,1|2,0,1]=4 1546 B14R2.768 NC(=O)Cc1nc2ccccc2s1 Amb6893086 [0,0,0,0,0,1|2,0,1]=4 1547 B14R2.768 NC(=O)Cn1cc2ccccc2n1 Amb27179356 [0,0,0,0,0,1|2,0,1]=4 1548 B14R2.768 NC(=S)Cc1cc2ccccc2s1 Amb33312148 [0,0,0,0,0,1|2,1,0]=4 1549 B14R2.768 O=C(Cl)Cc1cc2ccccc2o1 Amb24447541 [0,0,0,0,0,1|2,0,0]=3 1550 B14R2.768 O=C(Cl)Cc1cc2ccccc2s1 Amb28400738 [0,0,0,0,0,1|2,0,0]=3 1551 B14R2.768 O=C(Cl)Sc1nc2ccccc2s1 Amb28135899 [0,0,0,0,0,1|2,0,1]=4 1552 B14R2.768 O=C(O)C=C1Cc2ccccc2C1 Amb9675734 [0,0,0,0,0,1|1,0,1]=3 1553 B14R2.768 O=C(O)CC1Cc2ccccc2C1 Amb3939855 [0,0,0,0,0,1|1,0,2]=4 1554 B14R2.768 O=C(O)CC1Cc2ccccc2N1 Amb27454797 [0,0,0,0,0,1|0,0,2]=3 1555 B14R2.768 O=C(O)CC1Cc2ccccc2O1 Amb33533869 [0,0,0,0,0,1|1,0,2]=4 1556 B14R2.768 O=C(O)CC1Cc2ccccc2S1 Amb18189899 [0,0,0,0,0,1|1,0,2]=4 1557 B14R2.768 O=C(O)CC1Oc2ccccc2O1 Amb28400696 [0,0,0,0,0,1|2,0,1]=4 1558 B14R2.768 O=C(O)CN1Cc2ccccc2C1 Amb13948972 [0,0,0,0,0,1|2,0,1]=4 1559 B14R2.768 O=C(O)CN1Cc2ccccc2C1 Amb2967233 [0,0,0,0,0,1|2,0,1]=4 1560 B14R2.768 O=C(O)C[C@@H]1Cc2ccccc2N1 Amb35752104 [0,0,0,0,0,1|0,0,2]=3 1561 B14R2.768 O=C(O)C[C@@H]1Cc2ccccc2N1 Amb35752340 [0,0,0,0,0,1|0,0,2]=3 1562 B14R2.768 O=C(O)C[C@H]1Cc2ccccc2N1 Amb35750382 [0,0,0,0,0,1|0,0,2]=3 1563 B14R2.768 O=C(O)C[C@H]1Cc2ccccc2N1 Amb35751896 [0,0,0,0,0,1|0,0,2]=3 1564 B14R2.768 O=C(O)Cc1cc2ccccc2o1 Amb2371823 [0,0,0,0,0,1|1,0,0]=2 1565 B14R2.768 O=C(O)Cc1cc2ccccc2s1 Amb18651226 [0,0,0,0,0,1|1,0,0]=2 1566 B14R2.768 O=C(O)Cc1cc2ccccn2n1 Amb18196970 [0,0,0,0,0,1|1,0,1]=3 1567 B14R2.768 O=C(O)Cc1cc2cccnc2s1 Amb18190325 [0,0,0,0,0,1|2,0,0]=3 1568 B14R2.768 O=C(O)Cc1cc2ccncc2o1 Amb18196457 [0,0,0,0,0,1|2,0,0]=3 1569 B14R2.768 O=C(O)Cc1cc2cnccc2s1 Amb18190323 [0,0,0,0,0,1|2,0,0]=3 1570 B14R2.768 O=C(O)Cc1cc2cnccn2c1 Amb18196934 [0,0,0,0,0,1|3,0,0]=4 1571 B14R2.768 O=C(O)Cc1cc2cncnc2s1 Amb18815170 [0,0,0,0,0,1|3,0,0]=4 1572 B14R2.768 O=C(O)Cc1cc2cnncc2o1 Amb18195675 [0,0,0,0,0,1|3,0,0]=4 1573 B14R2.768 O=C(O)Cc1cc2ncccn2n1 Amb13889523 [0,0,0,0,0,1|2,0,1]=4 1574 B14R2.768 O=C(O)Cc1cc2ncncc2o1 Amb18195719 [0,0,0,0,0,1|3,0,0]=4 1575 B14R2.768 O=C(O)Cc1cc2ncncc2s1 Amb18815167 [0,0,0,0,0,1|3,0,0]=4 1576 B14R2.768 O=C(O)Cc1cn2ccccc2n1 Amb1694827 [0,0,0,0,0,1|1,0,1]=3 1577 B14R2.768 O=C(O)Cc1cn2ccccc2n1 Amb6892058 [0,0,0,0,0,1|1,0,1]=3 1578 B14R2.768 O=C(O)Cc1cn2cccnc2n1 Amb21964455 [0,0,0,0,0,1|2,0,1]=4 1579 B14R2.768 O=C(O)Cc1cn2cccnc2n1 Amb6254971 [0,0,0,0,0,1|2,0,1]=4 1580 B14R2.768 O=C(O)Cc1cn2ncccc2n1 Amb18061739 [0,0,0,0,0,1|2,0,1]=4 1581 B14R2.768 O=C(O)Cc1nc2ccccc2o1 Amb3521897 [0,0,0,0,0,1|1,0,1]=3 1582 B14R2.768 O=C(O)Cc1nc2ccccc2s1 Amb422427 [0,0,0,0,0,1|1,0,1]=3 1583 B14R2.768 O=C(O)Cc1nc2cnccc2s1 Amb18189954 [0,0,0,0,0,1|2,0,1]=4 1584 B14R2.768 O=C(O)Cc1nc2ncccc2o1 Amb18195690 [0,0,0,0,0,1|2,0,1]=4 1585 B14R2.768 O=C(O)Cc1nc2ncccc2s1 Amb18189955 [0,0,0,0,0,1|2,0,1]=4 1586 B14R2.768 O=C(O)Cn1cc2ccccc2n1 Amb9173087 [0,0,0,0,0,1|1,0,1]=3 1587 B14R2.768 O=C(O)Cn1cc2ncccc2n1 Amb31251638 [0,0,0,0,0,1|2,0,1]=4 1588 B14R2.768 O=C(O)Cn1nc2ccccc2n1 Amb1036388 [0,0,0,0,0,1|2,0,1]=4 1589 B14R2.768 O=C([O-])Cc1nc2ccccc2o1 Amb22492394 [0,0,0,0,0,1|1,0,2]=4 1590 B14R2.768 O=C([O-])Cc1nc2ccccc2o1 Amb22587714 [0,0,0,0,0,1|1,0,2]=4 1591 B14R2.768 O=C([O-])Cc1nc2ccccc2s1 Amb13951826 [0,0,0,0,0,1|1,0,2]=4 1592 B14R2.768 O=[N+]([O-])Cc1cc2ccccc2s1 Amb33312522 [0,0,0,0,0,1|2,0,1]=4 1593 B14R2.781 C=C(C)c1cc2ccccc2cn1 Amb28193339 [0,0,0,0,0,1|2,0,1]=4 1594 B14R2.781 C=C(C)c1ccc2ccccc2c1 Amb6360067 [0,0,0,0,0,1|3,0,0]=4 1595 B14R2.781 C=C(C)c1ccc2ccccc2n1 Amb26451445 [0,0,0,0,0,1|2,0,1]=4 1596 B14R2.781 C=C(C)c1cnc2ccccc2c1 Amb27642702 [0,0,0,0,0,1|2,0,1]=4 1597 B14R2.781 CC(=O)C1=Cc2ccccc2CC1 Amb27587327 [0,0,0,0,0,1|2,0,0]=3 1598 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 Amb7094361 [0,0,0,0,0,1|2,0,0]=3 1599 B14R2.781 CC(=O)c1cc2ccccc2cn1 Amb21858387 [0,0,0,0,0,1|1,0,1]=3 1600 B14R2.781 CC(=O)c1cc2ccccc2nn1 Amb27486145 [0,0,0,0,0,1|1,0,1]=3 1601 B14R2.781 CC(=O)c1ccc2ccccc2c1 Amb752737 [0,0,0,0,0,1|2,0,0]=3 1602 B14R2.781 CC(=O)c1ccc2ccccc2n1 Amb5494070 [0,0,0,0,0,1|1,0,1]=3 1603 B14R2.781 CC(=O)c1ccc2cccnc2c1 Amb18352594 [0,0,0,0,0,1|3,0,0]=4 1604 B14R2.781 CC(=O)c1ccc2cccnc2n1 Amb24378538 [0,0,0,0,0,1|2,0,1]=4 1605 B14R2.781 CC(=O)c1ccc2ccncc2c1 Amb18353408 [0,0,0,0,0,1|3,0,0]=4 1606 B14R2.781 CC(=O)c1ccc2cnccc2c1 Amb19103647 [0,0,0,0,0,1|3,0,0]=4 1607 B14R2.781 CC(=O)c1ccc2ncccc2c1 Amb18353467 [0,0,0,0,0,1|3,0,0]=4 1608 B14R2.781 CC(=O)c1ccc2ncccc2n1 Amb27645980 [0,0,0,0,0,1|2,0,1]=4 1609 B14R2.781 CC(=O)c1cnc2ccccc2c1 Amb18793962 [0,0,0,0,0,1|1,0,1]=3 1610 B14R2.781 CC(=O)c1cnc2ccccc2n1 Amb9822157 [0,0,0,0,0,1|1,0,1]=3 1611 B14R2.781 CC(=O)c1cnc2cccnc2c1 Amb13890073 [0,0,0,0,0,1|2,0,1]=4 1612 B14R2.781 CC(O)C1=COc2ccccc2O1 Amb27661173 [0,0,0,0,0,1|2,0,1]=4 1613 B14R2.781 CC(O)C1=Cc2ccccc2CC1 Amb28321250 [0,0,0,0,0,1|2,0,1]=4 1614 B14R2.781 CC(O)C1=Cc2ccccc2OC1 Amb27242657 [0,0,0,0,0,1|2,0,1]=4 1615 B14R2.781 CC(O)c1ccc2ccccc2c1 Amb9748274 [0,0,0,0,0,1|2,0,1]=4 1616 B14R2.781 CC(O)c1ccc2ccccc2n1 Amb25215245 [0,0,0,0,0,1|1,0,2]=4 1617 B14R2.781 CC(O)c1cnc2ccccc2c1 Amb33535848 [0,0,0,0,0,1|1,0,2]=4 1618 B14R2.781 CS(=O)C1=NCc2ccccc2N1 Amb27624966 [0,0,0,0,0,1|2,0,1]=4 1619 B14R2.781 CS(=O)c1ccc2ccccc2c1 Amb10553605 [0,0,0,0,0,1|3,0,0]=4 1620 B14R2.781 C[C@@H](O)C1=Cc2ccccc2CC1 Amb28079043 [0,0,0,0,0,1|2,0,1]=4 1621 B14R2.781 C[C@@H](O)c1ccc2ccccc2c1 Amb10844722 [0,0,0,0,0,1|2,0,1]=4 1622 B14R2.781 C[C@@H](O)c1ccc2ccccc2n1 Amb25839820 [0,0,0,0,0,1|1,0,2]=4 1623 B14R2.781 C[C@@H](O)c1cnc2ccccc2c1 Amb25872625 [0,0,0,0,0,1|1,0,2]=4 1624 B14R2.781 C[C@@H](O)c1cnc2ccccc2n1 Amb33378852 [0,0,0,0,0,1|1,0,2]=4 1625 B14R2.781 C[C@H](O)C1=Cc2ccccc2CC1 Amb27763822 [0,0,0,0,0,1|2,0,1]=4 1626 B14R2.781 C[C@H](O)c1cc2ccccc2cn1 Amb27411298 [0,0,0,0,0,1|1,0,2]=4 1627 B14R2.781 C[C@H](O)c1ccc2ccccc2c1 Amb4605849 [0,0,0,0,0,1|2,0,1]=4 1628 B14R2.781 C[C@H](O)c1ccc2ccccc2n1 Amb26943845 [0,0,0,0,0,1|1,0,2]=4 1629 B14R2.781 C[C@H](O)c1cnc2ccccc2c1 Amb25872666 [0,0,0,0,0,1|1,0,2]=4 1630 B14R2.781 C[C@H](O)c1cnc2ccccc2n1 Amb33358202 [0,0,0,0,0,1|1,0,2]=4 1631 B14R2.781 N=C(N)C1=Cc2ccccc2OC1 Amb22370889 [0,0,0,0,0,1|3,0,0]=4 1632 B14R2.781 N=C(N)c1cc2ccccc2cn1 Amb22277016 [0,0,0,0,0,1|2,0,1]=4 1633 B14R2.781 N=C(N)c1cc2ccccc2cn1 Amb2696272 [0,0,0,0,0,1|2,0,1]=4 1634 B14R2.781 N=C(N)c1cc2ccccc2cn1 Amb8630178 [0,0,0,0,0,1|2,0,1]=4 1635 B14R2.781 N=C(N)c1ccc2ccccc2c1 Amb33528675 [0,0,0,0,0,1|3,0,0]=4 1636 B14R2.781 N=C(N)c1ccc2ccccc2c1 Amb8630189 [0,0,0,0,0,1|3,0,0]=4 1637 B14R2.781 N=C(N)c1ccc2ccccc2n1 Amb17579234 [0,0,0,0,0,1|2,0,1]=4 1638 B14R2.781 N=C(N)c1ccc2ccccc2n1 Amb2696393 [0,0,0,0,0,1|2,0,1]=4 1639 B14R2.781 N=C(N)c1cnc2ccccc2c1 Amb2696396 [0,0,0,0,0,1|2,0,1]=4 1640 B14R2.781 N=C(N)c1cnc2ccccc2c1 Amb8630201 [0,0,0,0,0,1|2,0,1]=4 1641 B14R2.781 N=C(N)c1cnc2ccccc2n1 Amb24061358 [0,0,0,0,0,1|2,0,1]=4 1642 B14R2.781 NC(=O)C1=CCc2ccccc2C1 Amb27180284 [0,0,0,0,0,1|2,0,0]=3 1643 B14R2.781 NC(=O)C1=CCc2ccccc2O1 Amb27618226 [0,0,0,0,0,1|2,0,0]=3 1644 B14R2.781 NC(=O)C1=CNc2ccccc2C1 Amb27748674 [0,0,0,0,0,1|1,0,1]=3 1645 B14R2.781 NC(=O)C1=Cc2ccccc2OC1 Amb8340835 [0,0,0,0,0,1|2,0,0]=3 1646 B14R2.781 NC(=O)C1=Nc2ccccc2CS1 Amb27862450 [0,0,0,0,0,1|1,0,2]=4 1647 B14R2.781 NC(=O)C1C=Cc2ccccc2C1 Amb27590334 [0,0,0,0,0,1|2,0,1]=4 1648 B14R2.781 NC(=O)C1CCc2ccccc2N1 Amb9716189 [0,0,0,0,0,1|1,0,2]=4 1649 B14R2.781 NC(=O)C1CNc2ccccc2C1 Amb19313064 [0,0,0,0,0,1|1,0,2]=4 1650 B14R2.781 NC(=O)C1CNc2ccccc2N1 Amb5722226 [0,0,0,0,0,1|1,0,2]=4 1651 B14R2.781 NC(=O)C1CNc2ccccc2O1 Amb414747 [0,0,0,0,0,1|2,0,1]=4 1652 B14R2.781 NC(=O)C1CNc2ccccc2O1 Amb6891888 [0,0,0,0,0,1|2,0,1]=4 1653 B14R2.781 NC(=O)C1Cc2ccccc2CN1 Amb439948 [0,0,0,0,0,1|1,0,2]=4 1654 B14R2.781 NC(=O)C1Cc2ccccc2CN1 Amb535217 [0,0,0,0,0,1|1,0,2]=4 1655 B14R2.781 NC(=O)[C@@H]1Cc2ccccc2CN1 Amb32674791 [0,0,0,0,0,1|1,0,2]=4 1656 B14R2.781 NC(=O)[C@@H]1Cc2ccccc2CN1 Amb6893339 [0,0,0,0,0,1|1,0,2]=4 1657 B14R2.781 NC(=O)[C@H]1CNc2ccccc2N1 Amb26476309 [0,0,0,0,0,1|1,0,2]=4 1658 B14R2.781 NC(=O)[C@H]1Cc2ccccc2CN1 Amb25255218 [0,0,0,0,0,1|1,0,2]=4 1659 B14R2.781 NC(=O)c1cc2ccccc2cn1 Amb22498017 [0,0,0,0,0,1|1,0,1]=3 1660 B14R2.781 NC(=O)c1cc2ccncc2cn1 Amb27608576 [0,0,0,0,0,1|2,0,1]=4 1661 B14R2.781 NC(=O)c1ccc2ccccc2c1 Amb2701601 [0,0,0,0,0,1|2,0,0]=3 1662 B14R2.781 NC(=O)c1ccc2ccccc2n1 Amb8997730 [0,0,0,0,0,1|1,0,1]=3 1663 B14R2.781 NC(=O)c1ccc2cccnc2c1 Amb18352381 [0,0,0,0,0,1|3,0,0]=4 1664 B14R2.781 NC(=O)c1ccc2cnccc2c1 Amb19103361 [0,0,0,0,0,1|3,0,0]=4 1665 B14R2.781 NC(=O)c1ccc2ncccc2c1 Amb18789669 [0,0,0,0,0,1|3,0,0]=4 1666 B14R2.781 NC(=O)c1cnc2ccccc2n1 Amb1086720 [0,0,0,0,0,1|1,0,1]=3 1667 B14R2.781 NC(=O)c1cnc2ccncc2c1 Amb25974930 [0,0,0,0,0,1|2,0,1]=4 1668 B14R2.781 NC(=O)c1nnc2ccccc2n1 Amb28293609 [0,0,0,0,0,1|2,0,1]=4 1669 B14R2.781 NC(=S)C1=Cc2ccccc2OC1 Amb2723366 [0,0,0,0,0,1|2,1,0]=4 1670 B14R2.781 NC(=S)c1cc2ccccc2cn1 Amb28243596 [0,0,0,0,0,1|1,1,1]=4 1671 B14R2.781 NC(=S)c1ccc2ccccc2c1 Amb1117722 [0,0,0,0,0,1|2,1,0]=4 1672 B14R2.781 NC(=S)c1ccc2ccccc2n1 Amb18547575 [0,0,0,0,0,1|1,1,1]=4 1673 B14R2.781 NC(=S)c1cnc2ccccc2c1 Amb25061220 [0,0,0,0,0,1|1,1,1]=4 1674 B14R2.781 NC(=S)c1cnc2ccccc2n1 Amb27841374 [0,0,0,0,0,1|1,1,1]=4 1675 B14R2.781 O=C(Br)c1ccc2ccccc2c1 Amb27629780 [0,0,0,0,0,1|2,0,0]=3 1676 B14R2.781 O=C(Cl)C1C=Cc2ccccc2C1 Amb27607095 [0,0,0,0,0,1|2,0,1]=4 1677 B14R2.781 O=C(Cl)c1ccc2ccccc2c1 Amb3939132 [0,0,0,0,0,1|2,0,0]=3 1678 B14R2.781 O=C(Cl)c1ccc2ccccc2n1 Amb2690457 [0,0,0,0,0,1|1,0,1]=3 1679 B14R2.781 O=C(Cl)c1ccc2cccnc2c1 Amb26881101 [0,0,0,0,0,1|3,0,0]=4 1680 B14R2.781 O=C(Cl)c1ccc2ccncc2c1 Amb28243663 [0,0,0,0,0,1|3,0,0]=4 1681 B14R2.781 O=C(Cl)c1ccc2cnccc2c1 Amb27433478 [0,0,0,0,0,1|3,0,0]=4 1682 B14R2.781 O=C(Cl)c1ccc2ncccc2c1 Amb10808738 [0,0,0,0,0,1|3,0,0]=4 1683 B14R2.781 O=C(Cl)c1ccc2ncccc2c1 Amb18948483 [0,0,0,0,0,1|3,0,0]=4 1684 B14R2.781 O=C(Cl)c1cnc2ccccc2c1 Amb16230809 [0,0,0,0,0,1|1,0,1]=3 1685 B14R2.781 O=C(Cl)c1cnc2ccccc2n1 Amb2719807 [0,0,0,0,0,1|1,0,1]=3 1686 B14R2.781 O=C(Cl)c1nnc2ccccc2n1 Amb35744340 [0,0,0,0,0,1|2,0,1]=4 1687 B14R2.781 O=C(F)c1ccc2ccccc2c1 Amb25723360 [0,0,0,0,0,1|2,0,0]=3 1688 B14R2.781 O=C(O)C1=CC2C=CC=CN2C=N1 Amb18196965 [0,0,0,0,0,1|1,0,2]=4 1689 B14R2.781 O=C(O)C1=CCc2ccccc2O1 Amb27666943 [0,0,0,0,0,1|1,0,0]=2 1690 B14R2.781 O=C(O)C1=CNc2ccccc2O1 Amb28343193 [0,0,0,0,0,1|1,0,0]=2 1691 B14R2.781 O=C(O)C1=COc2ccccc2C1 Amb27221946 [0,0,0,0,0,1|1,0,0]=2 1692 B14R2.781 O=C(O)C1=COc2ccccc2O1 Amb18128045 [0,0,0,0,0,1|1,0,0]=2 1693 B14R2.781 O=C(O)C1=COc2ncccc2C1 Amb27475731 [0,0,0,0,0,1|2,0,0]=3 1694 B14R2.781 O=C(O)C1=CSc2ccccc2N1 Amb27179145 [0,0,0,0,0,1|0,0,0]=1 1695 B14R2.781 O=C(O)C1=Cc2ccccc2CO1 Amb27232943 [0,0,0,0,0,1|1,0,0]=2 1696 B14R2.781 O=C(O)C1=Cc2ccccc2OC1 Amb1215611 [0,0,0,0,0,1|1,0,0]=2 1697 B14R2.781 O=C(O)C1=Cc2ccccc2SN1 Amb22228836 [0,0,0,0,0,1|0,0,0]=1 1698 B14R2.781 O=C(O)C1=NNc2ccccc2S1 Amb18130074 [0,0,0,0,0,1|1,0,0]=2 1699 B14R2.781 O=C(O)C1C=Cc2ccccc2C1 Amb17470503 [0,0,0,0,0,1|1,0,1]=3 1700 B14R2.781 O=C(O)C1CCc2ccccc2C1 Amb3939918 [0,0,0,0,0,1|1,0,2]=4 1701 B14R2.781 O=C(O)C1CCc2ccccc2N1 Amb10604189 [0,0,0,0,0,1|0,0,2]=3 1702 B14R2.781 O=C(O)C1CCc2ccccc2N1 Amb18560475 [0,0,0,0,0,1|0,0,2]=3 1703 B14R2.781 O=C(O)C1CCc2ccccc2O1 Amb33542685 [0,0,0,0,0,1|1,0,2]=4 1704 B14R2.781 O=C(O)C1CNc2ccccc2C1 Amb22436789 [0,0,0,0,0,1|0,0,2]=3 1705 B14R2.781 O=C(O)C1CNc2ccccc2C1 Amb8631057 [0,0,0,0,0,1|0,0,2]=3 1706 B14R2.781 O=C(O)C1CNc2ccccc2O1 Amb22266726 [0,0,0,0,0,1|1,0,1]=3 1707 B14R2.781 O=C(O)C1CNc2ccccc2O1 Amb436746 [0,0,0,0,0,1|1,0,1]=3 1708 B14R2.781 O=C(O)C1CNc2ncccc2O1 Amb16230770 [0,0,0,0,0,1|2,0,1]=4 1709 B14R2.781 O=C(O)C1COc2ccccc2C1 Amb1657619 [0,0,0,0,0,1|1,0,2]=4 1710 B14R2.781 O=C(O)C1COc2ccccc2N1 Amb18061976 [0,0,0,0,0,1|0,0,2]=3 1711 B14R2.781 O=C(O)C1COc2ccccc2O1 Amb6336370 [0,0,0,0,0,1|1,0,2]=4 1712 B14R2.781 O=C(O)C1COc2ccccc2S1 Amb17570762 [0,0,0,0,0,1|1,0,2]=4 1713 B14R2.781 O=C(O)C1CSc2ccccc2C1 Amb17595111 [0,0,0,0,0,1|1,0,2]=4 1714 B14R2.781 O=C(O)C1CSc2ccccc2N1 Amb27641473 [0,0,0,0,0,1|0,0,2]=3 1715 B14R2.781 O=C(O)C1CSc2ccccc2O1 Amb13951585 [0,0,0,0,0,1|1,0,2]=4 1716 B14R2.781 O=C(O)C1Cc2ccccc2CN1 Amb1058838 [0,0,0,0,0,1|0,0,2]=3 1717 B14R2.781 O=C(O)C1Cc2ccccc2CN1 Amb22494613 [0,0,0,0,0,1|0,0,2]=3 1718 B14R2.781 O=C(O)C1Cc2ccccc2CN1 Amb6335187 [0,0,0,0,0,1|0,0,2]=3 1719 B14R2.781 O=C(O)C1Cc2ccccc2CO1 Amb22642211 [0,0,0,0,0,1|1,0,2]=4 1720 B14R2.781 O=C(O)C1Cc2ccncc2CN1 Amb28243334 [0,0,0,0,0,1|1,0,2]=4 1721 B14R2.781 O=C(O)[C@@H]1C=Cc2ccccc2C1 Amb27952482 [0,0,0,0,0,1|1,0,1]=3 1722 B14R2.781 O=C(O)[C@@H]1CCc2ccccc2N1 Amb19887699 [0,0,0,0,0,1|0,0,2]=3 1723 B14R2.781 O=C(O)[C@@H]1CCc2ccccc2N1 Amb22754395 [0,0,0,0,0,1|0,0,2]=3 1724 B14R2.781 O=C(O)[C@@H]1CCc2ccccc2O1 Amb26336126 [0,0,0,0,0,1|1,0,2]=4 1725 B14R2.781 O=C(O)[C@@H]1CNc2ccccc2C1 Amb27392433 [0,0,0,0,0,1|0,0,2]=3 1726 B14R2.781 O=C(O)[C@@H]1COc2ccccc2C1 Amb24376637 [0,0,0,0,0,1|1,0,2]=4 1727 B14R2.781 O=C(O)[C@@H]1COc2ccccc2O1 Amb3939819 [0,0,0,0,0,1|1,0,2]=4 1728 B14R2.781 O=C(O)[C@@H]1Cc2ccccc2CN1 Amb6295902 [0,0,0,0,0,1|0,0,2]=3 1729 B14R2.781 O=C(O)[C@@H]1Cc2ccccc2CN1 Amb6306676 [0,0,0,0,0,1|0,0,2]=3 1730 B14R2.781 O=C(O)[C@@H]1Cc2ccccc2CN1 Amb8515774 [0,0,0,0,0,1|0,0,2]=3 1731 B14R2.781 O=C(O)[C@@H]1Cc2ccccc2CO1 Amb24365966 [0,0,0,0,0,1|1,0,2]=4 1732 B14R2.781 O=C(O)[C@H]1CCc2ccccc2C1 Amb8396564 [0,0,0,0,0,1|1,0,2]=4 1733 B14R2.781 O=C(O)[C@H]1CCc2ccccc2N1 Amb19888454 [0,0,0,0,0,1|0,0,2]=3 1734 B14R2.781 O=C(O)[C@H]1CCc2ccccc2N1 Amb27236137 [0,0,0,0,0,1|0,0,2]=3 1735 B14R2.781 O=C(O)[C@H]1CCc2ccccc2O1 Amb25807936 [0,0,0,0,0,1|1,0,2]=4 1736 B14R2.781 O=C(O)[C@H]1CNc2ccccc2N1 Amb25043219 [0,0,0,0,0,1|0,0,2]=3 1737 B14R2.781 O=C(O)[C@H]1COc2ccccc2C1 Amb25074534 [0,0,0,0,0,1|1,0,2]=4 1738 B14R2.781 O=C(O)[C@H]1COc2ccccc2O1 Amb19889734 [0,0,0,0,0,1|1,0,2]=4 1739 B14R2.781 O=C(O)[C@H]1Cc2ccccc2CN1 Amb8496651 [0,0,0,0,0,1|0,0,2]=3 1740 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb2720149 [0,0,0,0,0,1|0,0,1]=2 1741 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb3940183 [0,0,0,0,0,1|0,0,1]=2 1742 B14R2.781 O=C(O)c1cc2ccccc2nn1 Amb530406 [0,0,0,0,0,1|0,0,1]=2 1743 B14R2.781 O=C(O)c1cc2cccnc2cn1 Amb18197838 [0,0,0,0,0,1|1,0,1]=3 1744 B14R2.781 O=C(O)c1cc2ccncc2cn1 Amb18197836 [0,0,0,0,0,1|1,0,1]=3 1745 B14R2.781 O=C(O)c1cc2ccnnc2cn1 Amb18197500 [0,0,0,0,0,1|2,0,1]=4 1746 B14R2.781 O=C(O)c1cc2cnccc2cn1 Amb18197811 [0,0,0,0,0,1|1,0,1]=3 1747 B14R2.781 O=C(O)c1cc2nnccc2cn1 Amb18197501 [0,0,0,0,0,1|2,0,1]=4 1748 B14R2.781 O=C(O)c1ccc2c(c1)C=CCC2 Amb26847796 [0,0,0,0,0,1|1,0,2]=4 1749 B14R2.781 O=C(O)c1ccc2c(c1)CCC=C2 Amb26304214 [0,0,0,0,0,1|1,0,2]=4 1750 B14R2.781 O=C(O)c1ccc2ccccc2c1 Amb17678851 [0,0,0,0,0,1|1,0,0]=2 1751 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb1233401 [0,0,0,0,0,1|0,0,1]=2 1752 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb21858747 [0,0,0,0,0,1|0,0,1]=2 1753 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb33513278 [0,0,0,0,0,1|0,0,1]=2 1754 B14R2.781 O=C(O)c1ccc2cccnc2c1 Amb2548374 [0,0,0,0,0,1|2,0,0]=3 1755 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2567493 [0,0,0,0,0,1|1,0,1]=3 1756 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2691468 [0,0,0,0,0,1|1,0,1]=3 1757 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb34202999 [0,0,0,0,0,1|1,0,1]=3 1758 B14R2.781 O=C(O)c1ccc2ccncc2c1 Amb8009842 [0,0,0,0,0,1|2,0,0]=3 1759 B14R2.781 O=C(O)c1ccc2ccncc2n1 Amb21962775 [0,0,0,0,0,1|1,0,1]=3 1760 B14R2.781 O=C(O)c1ccc2cnccc2c1 Amb33542741 [0,0,0,0,0,1|2,0,0]=3 1761 B14R2.781 O=C(O)c1ccc2cnccc2n1 Amb2691469 [0,0,0,0,0,1|1,0,1]=3 1762 B14R2.781 O=C(O)c1ccc2cncnc2c1 Amb23439150 [0,0,0,0,0,1|3,0,0]=4 1763 B14R2.781 O=C(O)c1ccc2cncnc2n1 Amb18197502 [0,0,0,0,0,1|2,0,1]=4 1764 B14R2.781 O=C(O)c1ccc2cnncc2c1 Amb28124751 [0,0,0,0,0,1|3,0,0]=4 1765 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb10553803 [0,0,0,0,0,1|2,0,0]=3 1766 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb6335229 [0,0,0,0,0,1|2,0,0]=3 1767 B14R2.781 O=C(O)c1ccc2ncccc2n1 Amb5627449 [0,0,0,0,0,1|1,0,1]=3 1768 B14R2.781 O=C(O)c1ccc2nccnc2c1 Amb1209684 [0,0,0,0,0,1|3,0,0]=4 1769 B14R2.781 O=C(O)c1ccc2nccnc2n1 Amb2795876 [0,0,0,0,0,1|2,0,1]=4 1770 B14R2.781 O=C(O)c1ccc2ncncc2c1 Amb10604067 [0,0,0,0,0,1|3,0,0]=4 1771 B14R2.781 O=C(O)c1ccc2nnccc2c1 Amb25368925 [0,0,0,0,0,1|3,0,0]=4 1772 B14R2.781 O=C(O)c1cnc2ccccc2c1 Amb1995107 [0,0,0,0,0,1|0,0,1]=2 1773 B14R2.781 O=C(O)c1cnc2ccccc2n1 Amb6355834 [0,0,0,0,0,1|0,0,1]=2 1774 B14R2.781 O=C(O)c1cnc2cccnc2c1 Amb9174242 [0,0,0,0,0,1|1,0,1]=3 1775 B14R2.781 O=C(O)c1cnc2ccncc2c1 Amb9701811 [0,0,0,0,0,1|1,0,1]=3 1776 B14R2.781 O=C(O)c1cnc2cnccc2c1 Amb20248674 [0,0,0,0,0,1|1,0,1]=3 1777 B14R2.781 O=C(O)c1cnc2cnccc2n1 Amb27813441 [0,0,0,0,0,1|1,0,1]=3 1778 B14R2.781 O=C(O)c1cnc2cncnc2n1 Amb27837159 [0,0,0,0,0,1|2,0,1]=4 1779 B14R2.781 O=C(O)c1cnc2ncccc2c1 Amb2795317 [0,0,0,0,0,1|1,0,1]=3 1780 B14R2.781 O=C(O)c1cnc2ncccc2n1 Amb10071424 [0,0,0,0,0,1|1,0,1]=3 1781 B14R2.781 O=C(O)c1cnc2nccnc2c1 Amb2795885 [0,0,0,0,0,1|2,0,1]=4 1782 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb10241300 [0,0,0,0,0,1|0,0,1]=2 1783 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb9854893 [0,0,0,0,0,1|0,0,1]=2 1784 B14R2.781 O=C(O)c1ncc2ccncc2n1 Amb27969520 [0,0,0,0,0,1|1,0,1]=3 1785 B14R2.781 O=C(O)c1ncc2cnccc2n1 Amb28058636 [0,0,0,0,0,1|1,0,1]=3 1786 B14R2.781 O=C(O)c1nnc2ccccc2n1 Amb18647881 [0,0,0,0,0,1|1,0,1]=3 1787 B14R2.781 O=C(O)c1nnc2ncccc2n1 Amb28051607 [0,0,0,0,0,1|2,0,1]=4 1788 B14R2.781 O=C([O-])c1cc2ccccc2cn1 Amb33513246 [0,0,0,0,0,1|0,0,2]=3 1789 B14R2.781 O=C([O-])c1cc2ccccc2nn1 Amb7969762 [0,0,0,0,0,1|0,0,2]=3 1790 B14R2.781 O=C([O-])c1ccc2ccccc2c1 Amb22045657 [0,0,0,0,0,1|1,0,1]=3 1791 B14R2.781 O=C([O-])c1ccc2ccccc2n1 Amb22730245 [0,0,0,0,0,1|0,0,2]=3 1792 B14R2.781 O=C([O-])c1ccc2cnccc2n1 Amb33513110 [0,0,0,0,0,1|1,0,2]=4 1793 B14R2.781 O=S(Cl)c1ccc2ccccc2c1 Amb27974351 [0,0,0,0,0,1|3,0,0]=4 1794 B14R2.781 O=S(O)c1ccc2ccccc2c1 Amb4013237 [0,0,0,0,0,1|2,0,0]=3 1795 B14R2.781 O=S([O-])C1=Cc2ccccc2CC1 Amb25843494 [0,0,0,0,0,1|2,0,1]=4 1796 B14R2.781 O=S([O-])C1=Cc2ccccc2OC1 Amb32754116 [0,0,0,0,0,1|2,0,1]=4 1797 B14R2.781 O=S([O-])c1ccc2ccccc2c1 Amb19944455 [0,0,0,0,0,1|2,0,1]=4 1798 B14R2.781 O=S([O-])c1ccc2ccccc2n1 Amb32755763 [0,0,0,0,0,1|1,0,2]=4 1799 B14R2.781 O=S([O-])c1cnc2ccccc2c1 Amb32754816 [0,0,0,0,0,1|1,0,2]=4 1800 B14R2.781 O=[N+]([O-])c1cc2ccccc2cn1 Amb27244121 [0,0,0,0,0,1|1,0,2]=4 1801 B14R2.781 O=[N+]([O-])c1cc2ccccc2nn1 Amb22752613 [0,0,0,0,0,1|1,0,2]=4 1802 B14R2.781 O=[N+]([O-])c1ccc2ccccc2c1 Amb9787778 [0,0,0,0,0,1|2,0,1]=4 1803 B14R2.781 O=[N+]([O-])c1ccc2ccccc2n1 Amb26046367 [0,0,0,0,0,1|1,0,2]=4 1804 B14R2.781 O=[N+]([O-])c1cnc2ccccc2c1 Amb2615444 [0,0,0,0,0,1|1,0,2]=4 1805 B14R2.781 OB(O)C1=COc2ccccc2O1 Amb25698279 [0,0,0,0,0,1|2,0,1]=4 1806 B14R2.781 OB(O)C1=Cc2ccccc2CC1 Amb22755725 [0,0,0,0,0,1|2,0,1]=4 1807 B14R2.781 OB(O)c1ccc2ccccc2c1 Amb2383493 [0,0,0,0,0,1|2,0,1]=4 1808 B14R2.781 OB(O)c1ccc2ccccc2n1 Amb8397278 [0,0,0,0,0,1|1,0,2]=4 1809 B14R2.781 OB(O)c1cnc2ccccc2c1 Amb10069114 [0,0,0,0,0,1|1,0,2]=4 1810 B14R2.781 OB(O)c1cnc2ccccc2c1 Amb1995105 [0,0,0,0,0,1|1,0,2]=4 1811 B14R2.781 OB(O)c1ncc2ccccc2n1 Amb27268702 [0,0,0,0,0,1|1,0,2]=4 1812 B14R2.781 OC(=S)C1=NCc2ccccc2N1 Amb27959152 [0,0,0,0,0,1|0,1,1]=3 1813 B14R2.781 OC(=S)c1ccc2ncccc2n1 Amb27200757 [0,0,0,0,0,1|1,1,1]=4 1814 B14R2.31338 O=C(O)c1cc2cccccc2c1 Amb27805834 [0,0,0,0,0,1|1,0,0]=2 1815 B14R2.31338 OB(O)c1cc2cccccc2c1 Amb27171552 [0,0,0,0,0,1|2,0,1]=4 1816 B11R1.40 C=C(C=O)Cc1ccccc1 Amb8392633 [1,0,1,0,0,0|1,0,0]=3 1817 B11R1.40 C=C(CC)Nc1ccccc1 Amb27413657 [1,0,1,0,0,0|1,0,1]=4 1818 B11R1.40 C=C(CO)Sc1ccccc1 Amb27961782 [1,0,1,0,0,0|1,0,1]=4 1819 B11R1.40 C=CC(=C)Sc1ccccc1 Amb4013516 [1,0,1,0,0,0|2,0,0]=4 1820 B11R1.40 C=CC(=O)Nc1ccccc1 Amb6843666 [1,0,1,0,0,0|2,0,0]=4 1821 B11R1.40 C=C\C(C)=C/c1ccccc1 Amb27428211 [1,0,1,0,0,0|2,0,0]=4 1822 B11R1.40 C=C\C(C)=C\c1ccccc1 Amb27950688 [1,0,1,0,0,0|2,0,0]=4 1823 B11R1.40 CC(Nc1ccccc1)=S=O Amb27592896 [1,0,1,0,0,0|1,0,1]=4 1824 B11R1.40 C\C(=C/c1ccccc1)CO Amb9825840 [1,0,1,0,0,0|1,0,1]=4 1825 B11R1.40 C\C(=N\O)Nc1ccccc1 Amb2610722 [1,0,1,0,0,0|1,0,1]=4 1826 B11R1.40 C\C(C=O)=C/c1ccccc1 Amb6608709 [1,0,1,0,0,0|1,0,0]=3 1827 B11R1.40 C\C(C=O)=C/c1ccccn1 Amb1014105 [1,0,1,0,0,0|2,0,0]=4 1828 B11R1.40 C\C(C=O)=C/c1cccnc1 Amb17334266 [1,0,1,0,0,0|2,0,0]=4 1829 B11R1.40 C\C(C=O)=C/c1ccncc1 Amb17334268 [1,0,1,0,0,0|2,0,0]=4 1830 B11R1.40 C\C(C=O)=C\c1cccnc1 Amb28070736 [1,0,1,0,0,0|2,0,0]=4 1831 B11R1.40 C\C=C(\C)Nc1ccccc1 Amb27597055 [1,0,1,0,0,0|1,0,1]=4 1832 B11R1.40 N=C(CO)Nc1ccccc1 Amb28062227 [1,0,1,0,0,0|1,0,1]=4 1833 B11R1.40 N[C@H](C=O)Cc1ccccc1 Amb27810784 [1,0,1,0,0,0|0,0,2]=4 1834 B11R1.40 N\C(=N/O)Nc1ccccc1 Amb18799378 [1,0,1,0,0,0|2,0,0]=4 1835 B11R1.40 N\C(=N/O)Nc1ccccc1 Amb33743404 [1,0,1,0,0,0|2,0,0]=4 1836 B11R1.40 N\C(Cc1ccccc1)=N/O Amb1159399 [1,0,1,0,0,0|1,0,1]=4 1837 B11R1.40 N\C(Cc1ccccc1)=N\O Amb1106303 [1,0,1,0,0,0|1,0,1]=4 1838 B11R1.40 O=C(CO)Nc1ccccc1 Amb1110212 [1,0,1,0,0,0|1,0,1]=4 1839 B11R1.40 O=C(NO)Nc1ccccc1 Amb2746999 [1,0,1,0,0,0|2,0,0]=4 1840 B11R1.40 O=CC(=O)Cc1ccccc1 Amb17593687 [1,0,1,0,0,0|1,0,1]=4 1841 B11R1.40 O=CC(=O)Nc1ccccc1 Amb27643437 [1,0,1,0,0,0|1,0,0]=3 1842 B11R1.40 O=C\C(Br)=C/c1ccccc1 Amb25047719 [1,0,1,0,0,0|1,0,0]=3 1843 B11R1.40 O=C\C(Br)=C\c1ccccc1 Amb6608679 [1,0,1,0,0,0|1,0,0]=3 1844 B11R1.40 O=C\C(Cl)=C/c1ccccc1 Amb6297306 [1,0,1,0,0,0|1,0,0]=3 1845 B11R1.40 O=C\C(Cl)=C\c1ccccc1 Amb2792752 [1,0,1,0,0,0|1,0,0]=3 1846 B11R1.40 O=C\C(Cl)=C\c1ccccn1 Amb18126489 [1,0,1,0,0,0|2,0,0]=4 1847 B11R1.40 O=C\C(O)=C\c1ccccc1 Amb18124881 [1,0,1,0,0,0|1,0,0]=3 1848 B11R1.40 O=N\C(Br)=C/c1ccccc1 Amb27862869 [1,0,1,0,0,0|2,0,0]=4 1849 B11R1.40 OC\C(Cl)=C/c1ccccc1 Amb27234634 [1,0,1,0,0,0|1,0,1]=4 1850 B11R1.40 ONC(=S)Nc1ccccc1 Amb9824829 [1,0,1,0,0,0|2,0,0]=4 1851 B11R1.91 C=C(C)\C=C\c1ccccc1 Amb22546632 [1,0,1,0,0,0|2,0,0]=4 1852 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [1,0,1,0,0,0|1,0,1]=4 1853 B11R1.91 CC(=O)NNc1ccccc1 Amb4081010 [1,0,1,0,0,0|2,0,0]=4 1854 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [1,0,1,0,0,0|1,0,0]=3 1855 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [1,0,1,0,0,0|1,0,0]=3 1856 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [1,0,1,0,0,0|2,0,0]=4 1857 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb32652097 [1,0,1,0,0,0|2,0,0]=4 1858 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [1,0,1,0,0,0|2,0,0]=4 1859 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb33359225 [1,0,1,0,0,0|2,0,0]=4 1860 B11R1.91 CC(O)\C=C\c1ccccc1 Amb17593695 [1,0,1,0,0,0|1,0,1]=4 1861 B11R1.91 C[C@@H](O)\C=C\c1ccccc1 Amb32954507 [1,0,1,0,0,0|1,0,1]=4 1862 B11R1.91 C[C@H](O)\C=C\c1ccccc1 Amb27405101 [1,0,1,0,0,0|1,0,1]=4 1863 B11R1.91 N=C(N)\C=C\c1ccccc1 Amb22756994 [1,0,1,0,0,0|2,0,0]=4 1864 B11R1.91 NC(=O)CNc1ccccc1 Amb503275 [1,0,1,0,0,0|1,0,1]=4 1865 B11R1.91 NC(=O)NNc1ccccc1 Amb32409481 [1,0,1,0,0,0|2,0,0]=4 1866 B11R1.91 NC(=O)\C=C/c1ccccc1 Amb4420621 [1,0,1,0,0,0|1,0,0]=3 1867 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [1,0,1,0,0,0|2,0,0]=4 1868 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb33719420 [1,0,1,0,0,0|1,0,0]=3 1869 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb8513084 [1,0,1,0,0,0|1,0,0]=3 1870 B11R1.91 NC(=O)\C=C\c1ccccn1 Amb25887084 [1,0,1,0,0,0|2,0,0]=4 1871 B11R1.91 NC(=O)\C=C\c1cccnc1 Amb33854872 [1,0,1,0,0,0|2,0,0]=4 1872 B11R1.91 NC(=O)\C=C\c1ccncc1 Amb26859260 [1,0,1,0,0,0|2,0,0]=4 1873 B11R1.91 NC(=O)\N=C\c1ccccc1 Amb28364091 [1,0,1,0,0,0|2,0,0]=4 1874 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [1,0,1,0,0,0|1,1,0]=4 1875 B11R1.91 O=C(Cl)\C=C\c1ccccc1 Amb2792900 [1,0,1,0,0,0|1,0,0]=3 1876 B11R1.91 O=C(Cl)\C=C\c1cccnc1 Amb6307270 [1,0,1,0,0,0|2,0,0]=4 1877 B11R1.91 O=C(O)C#Cc1ccccc1 Amb6364732 [1,0,1,0,0,0|0,0,2]=4 1878 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [1,0,1,0,0,0|0,0,2]=4 1879 B11R1.91 O=C(O)CNc1ccccc1 Amb840513 [1,0,1,0,0,0|0,0,1]=3 1880 B11R1.91 O=C(O)CNc1ccccn1 Amb33549202 [1,0,1,0,0,0|1,0,1]=4 1881 B11R1.91 O=C(O)CNc1ccccn1 Amb4025757 [1,0,1,0,0,0|1,0,1]=4 1882 B11R1.91 O=C(O)CNc1cccnc1 Amb17593781 [1,0,1,0,0,0|1,0,1]=4 1883 B11R1.91 O=C(O)CNc1cccnc1 Amb22035240 [1,0,1,0,0,0|1,0,1]=4 1884 B11R1.91 O=C(O)CNc1ccncc1 Amb33549238 [1,0,1,0,0,0|1,0,1]=4 1885 B11R1.91 O=C(O)CNc1ccncc1 Amb6271127 [1,0,1,0,0,0|1,0,1]=4 1886 B11R1.91 O=C(O)COc1ccccc1 Amb1213413 [1,0,1,0,0,0|1,0,1]=4 1887 B11R1.91 O=C(O)COc1ccccc1 Amb22274444 [1,0,1,0,0,0|1,0,1]=4 1888 B11R1.91 O=C(O)CSc1ccccc1 Amb1038999 [1,0,1,0,0,0|1,0,1]=4 1889 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [1,0,1,0,0,0|0,0,0]=2 1890 B11R1.91 O=C(O)\C=C/c1ccccn1 Amb10071558 [1,0,1,0,0,0|1,0,0]=3 1891 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [1,0,1,0,0,0|1,0,0]=3 1892 B11R1.91 O=C(O)\C=C/c1ccncc1 Amb20622011 [1,0,1,0,0,0|1,0,0]=3 1893 B11R1.91 O=C(O)\C=C/c1cncnc1 Amb27975406 [1,0,1,0,0,0|2,0,0]=4 1894 B11R1.91 O=C(O)\C=C\N1C=CC=CC1 Amb22015329 [1,0,1,0,0,0|1,0,1]=4 1895 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [1,0,1,0,0,0|0,0,0]=2 1896 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [1,0,1,0,0,0|0,0,0]=2 1897 B11R1.91 O=C(O)\C=C\c1ccccn1 Amb2690432 [1,0,1,0,0,0|1,0,0]=3 1898 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [1,0,1,0,0,0|1,0,0]=3 1899 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [1,0,1,0,0,0|1,0,0]=3 1900 B11R1.91 O=C(O)\C=C\c1cccnn1 Amb18125070 [1,0,1,0,0,0|2,0,0]=4 1901 B11R1.91 O=C(O)\C=C\c1ccncc1 Amb1107607 [1,0,1,0,0,0|1,0,0]=3 1902 B11R1.91 O=C(O)\C=C\c1ccncn1 Amb25337419 [1,0,1,0,0,0|2,0,0]=4 1903 B11R1.91 O=C(O)\C=C\c1ccnnc1 Amb18125071 [1,0,1,0,0,0|2,0,0]=4 1904 B11R1.91 O=C(O)\C=C\c1cnccn1 Amb24082749 [1,0,1,0,0,0|2,0,0]=4 1905 B11R1.91 O=C(O)\C=C\c1cncnc1 Amb9780324 [1,0,1,0,0,0|2,0,0]=4 1906 B11R1.91 O=C(O)\C=C\c1ncccn1 Amb17593721 [1,0,1,0,0,0|2,0,0]=4 1907 B11R1.91 O=C([O-])CNc1ccccc1 Amb21520409 [1,0,1,0,0,0|0,0,2]=4 1908 B11R1.91 O=C([O-])CNc1ccccc1 Amb33512953 [1,0,1,0,0,0|0,0,2]=4 1909 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb33513073 [1,0,1,0,0,0|0,0,1]=3 1910 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb6383246 [1,0,1,0,0,0|0,0,1]=3 1911 B11R1.91 O=C([O-])\C=C\c1cccnc1 Amb33512942 [1,0,1,0,0,0|1,0,1]=4 1912 B11R1.91 O=S(O)\C=C\c1ccccc1 Amb32753683 [1,0,1,0,0,0|1,0,0]=3 1913 B11R1.91 O=S([O-])\C=C\c1ccccc1 Amb26016414 [1,0,1,0,0,0|1,0,1]=4 1914 B11R1.91 O=[N+]([O-])\C=C/c1ccccc1 Amb4066298 [1,0,1,0,0,0|1,0,1]=4 1915 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb33719275 [1,0,1,0,0,0|1,0,1]=4 1916 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb8396046 [1,0,1,0,0,0|1,0,1]=4 1917 B11R1.91 OB(O)\C=C\c1ccccc1 Amb2447227 [1,0,1,0,0,0|1,0,1]=4 1918 B11R1.48 C=Cc1oc(C(=O)O)cc1Br Amb35692562 [1,0,1,0,0,0|2,0,0]=4 1919 B11R1.48 C=Cc1sc(C(=O)O)cc1C Amb27840318 [1,0,1,0,0,0|1,0,1]=4 1920 B11R1.941 C=Cc1cc(C=O)oc1C=O Amb27655619 [1,0,1,0,0,0|2,0,0]=4 1921 B11R1.17 C=C\C=C\c1ccccc1C Amb26953331 [1,0,1,0,0,0|2,0,0]=4 1922 B11R1.17 CC\C=C\c1ccccc1N Amb22751020 [1,0,1,0,0,0|1,0,1]=4 1923 B11R1.17 C\C=C\Sc1ccccc1N Amb27234697 [1,0,1,0,0,0|2,0,0]=4 1924 B11R1.17 Cc1ccccc1\C=C\C=O Amb17232007 [1,0,1,0,0,0|1,0,0]=3 1925 B11R1.17 Cc1ccccc1\C=C\CO Amb23442935 [1,0,1,0,0,0|1,0,1]=4 1926 B11R1.17 Cc1cccnc1\C=C\C=O Amb33428727 [1,0,1,0,0,0|2,0,0]=4 1927 B11R1.17 Cc1ccncc1\C=C\C=O Amb32953945 [1,0,1,0,0,0|2,0,0]=4 1928 B11R1.17 Cc1cnccc1\C=C\C=O Amb33414326 [1,0,1,0,0,0|2,0,0]=4 1929 B11R1.17 Cc1ncccc1\C=C\C=O Amb32878968 [1,0,1,0,0,0|2,0,0]=4 1930 B11R1.17 N=C\C=C\c1ccccc1O Amb27226996 [1,0,1,0,0,0|2,0,0]=4 1931 B11R1.17 Nc1ccccc1\C=C\C=O Amb24538270 [1,0,1,0,0,0|0,0,0]=2 1932 B11R1.17 Nc1ccccc1\C=C\CO Amb34916231 [1,0,1,0,0,0|0,0,1]=3 1933 B11R1.17 Nc1ccncc1\N=C\C=O Amb26637985 [1,0,1,0,0,0|2,0,0]=4 1934 B11R1.17 Nc1cnccc1\N=C\C=O Amb25255524 [1,0,1,0,0,0|2,0,0]=4 1935 B11R1.17 O=C\C=C\c1ccccc1Br Amb17240825 [1,0,1,0,0,0|1,0,0]=3 1936 B11R1.17 O=C\C=C\c1ccccc1Cl Amb17232625 [1,0,1,0,0,0|1,0,0]=3 1937 B11R1.17 O=C\C=C\c1ccccc1F Amb17232062 [1,0,1,0,0,0|1,0,0]=3 1938 B11R1.17 O=C\C=C\c1ccccc1O Amb842565 [1,0,1,0,0,0|1,0,0]=3 1939 B11R1.17 O=C\C=C\c1ccccc1S Amb28422741 [1,0,1,0,0,0|1,0,0]=3 1940 B11R1.17 O=C\C=C\c1cccnc1Br Amb33387808 [1,0,1,0,0,0|2,0,0]=4 1941 B11R1.17 O=C\C=C\c1cccnc1Cl Amb33406391 [1,0,1,0,0,0|2,0,0]=4 1942 B11R1.17 O=C\C=C\c1cccnc1F Amb33224035 [1,0,1,0,0,0|2,0,0]=4 1943 B11R1.17 O=C\C=C\c1ccncc1Br Amb33478364 [1,0,1,0,0,0|2,0,0]=4 1944 B11R1.17 O=C\C=C\c1ccncc1Cl Amb33413767 [1,0,1,0,0,0|2,0,0]=4 1945 B11R1.17 O=C\C=C\c1ccncc1F Amb33317172 [1,0,1,0,0,0|2,0,0]=4 1946 B11R1.17 O=C\C=C\c1ncccc1Br Amb33388586 [1,0,1,0,0,0|2,0,0]=4 1947 B11R1.17 O=C\C=C\c1ncccc1F Amb33418874 [1,0,1,0,0,0|2,0,0]=4 1948 B11R1.17 O=C\N=C\c1ccccc1O Amb24422424 [1,0,1,0,0,0|2,0,0]=4 1949 B11R1.17 OC\C=C\c1ccccc1Br Amb25149289 [1,0,1,0,0,0|1,0,1]=4 1950 B11R1.17 OC\C=C\c1ccccc1Cl Amb8392444 [1,0,1,0,0,0|1,0,1]=4 1951 B11R1.17 OC\C=C\c1ccccc1F Amb23442840 [1,0,1,0,0,0|1,0,1]=4 1952 B11R1.17 OC\C=C\c1ccccc1O Amb33450068 [1,0,1,0,0,0|1,0,1]=4 1953 B11R1.124 C=CCc1ccc(C(=O)O)o1 Amb27974261 [1,0,1,0,0,0|1,0,1]=4 1954 B11R1.124 C=CCc1ccc(C(=O)O)s1 Amb27233618 [1,0,1,0,0,0|1,0,1]=4 1955 B11R1.124 O=C(O)c1ccc(\C=C\Br)s1 Amb33135034 [1,0,1,0,0,0|2,0,0]=4 1956 B11R1.214 O=C\C=C\c1ccc(C=O)o1 Amb25724026 [1,0,1,0,0,0|2,0,0]=4 1957 B11R1.214 O=C\C=C\c1ccc(C=O)s1 Amb27176436 [1,0,1,0,0,0|2,0,0]=4 1958 B11R2.10 BrC1=Cc2ccccc2C1 Amb8517387 [2,0,0,0,0,0|2,0,0]=4 1959 B11R2.10 Brc1cc2ccccc2o1 Amb2723106 [2,0,0,0,0,0|2,0,0]=4 1960 B11R2.10 Brc1cc2ccccc2s1 Amb2723178 [2,0,0,0,0,0|2,0,0]=4 1961 B11R2.10 CC1=Cc2ccccc2C1 Amb15692403 [2,0,0,0,0,0|1,0,1]=4 1962 B11R2.10 Cc1cc2ccccc2o1 Amb20621560 [2,0,0,0,0,0|1,0,1]=4 1963 B11R2.10 Cc1cc2ccccc2s1 Amb2237023 [2,0,0,0,0,0|1,0,1]=4 1964 B11R2.10 ClC1=Cc2ccccc2C1 Amb22752069 [2,0,0,0,0,0|2,0,0]=4 1965 B11R2.10 Clc1cc2ccccc2o1 Amb24104234 [2,0,0,0,0,0|2,0,0]=4 1966 B11R2.10 Ic1cc2ccccc2o1 Amb24482100 [2,0,0,0,0,0|2,0,0]=4 1967 B11R2.10 Ic1cc2ccccc2s1 Amb22896395 [2,0,0,0,0,0|2,0,0]=4 1968 B11R2.10 N=C1Cc2ccccc2N1 Amb26636218 [2,0,0,0,0,0|1,0,1]=4 1969 B11R2.10 N=C1Cc2ccccc2N1 Amb32661573 [2,0,0,0,0,0|1,0,1]=4 1970 B11R2.10 N=C1Nc2ccccc2S1 Amb19866564 [2,0,0,0,0,0|2,0,0]=4 1971 B11R2.10 Nc1cc2ccccc2s1 Amb17593717 [2,0,0,0,0,0|2,0,0]=4 1972 B11R2.10 O=C1C=C2C=CC=CC2=N1 Amb24620213 [2,0,0,0,0,0|0,0,1]=3 1973 B11R2.10 O=C1C=C2C=CC=CN2C1 Amb28126717 [2,0,0,0,0,0|2,0,0]=4 1974 B11R2.10 O=C1C=C2C=CC=CN2N1 Amb21858515 [2,0,0,0,0,0|1,0,0]=3 1975 B11R2.10 O=C1C=C2C=COC=C2O1 Amb19132425 [2,0,0,0,0,0|2,0,0]=4 1976 B11R2.10 O=C1C=C2N=CC=CN2N1 Amb24480959 [2,0,0,0,0,0|2,0,0]=4 1977 B11R2.10 O=C1Cc2ccccc2C1 Amb1227714 [2,0,0,0,0,0|1,0,1]=4 1978 B11R2.10 O=C1Cc2ccccc2N1 Amb1351379 [2,0,0,0,0,0|0,0,1]=3 1979 B11R2.10 O=C1Cc2ccccc2O1 Amb2781615 [2,0,0,0,0,0|1,0,1]=4 1980 B11R2.10 O=C1Cc2cccnc2N1 Amb22405864 [2,0,0,0,0,0|1,0,1]=4 1981 B11R2.10 O=C1Cc2cccnc2N1 Amb6307171 [2,0,0,0,0,0|1,0,1]=4 1982 B11R2.10 O=C1Cc2ccncc2N1 Amb19929479 [2,0,0,0,0,0|1,0,1]=4 1983 B11R2.10 O=C1Cc2ccncc2N1 Amb21964304 [2,0,0,0,0,0|1,0,1]=4 1984 B11R2.10 O=C1Cc2cnccc2N1 Amb8630016 [2,0,0,0,0,0|1,0,1]=4 1985 B11R2.10 O=C1Cc2ncccc2N1 Amb6307736 [2,0,0,0,0,0|1,0,1]=4 1986 B11R2.10 O=C1Nc2ccccc2N1 Amb18375774 [2,0,0,0,0,0|1,0,0]=3 1987 B11R2.10 O=C1Nc2ccccc2O1 Amb18043097 [2,0,0,0,0,0|1,0,0]=3 1988 B11R2.10 O=C1Nc2ccccc2S1 Amb17933260 [2,0,0,0,0,0|1,0,0]=3 1989 B11R2.10 O=C1Nc2cccnc2N1 Amb18043123 [2,0,0,0,0,0|2,0,0]=4 1990 B11R2.10 O=C1Nc2cccnc2O1 Amb18560583 [2,0,0,0,0,0|2,0,0]=4 1991 B11R2.10 O=C1Nc2ccncc2N1 Amb18043121 [2,0,0,0,0,0|2,0,0]=4 1992 B11R2.10 O=C1Nc2ccncc2O1 Amb22233917 [2,0,0,0,0,0|2,0,0]=4 1993 B11R2.10 O=C1Nc2ncccc2O1 Amb17933371 [2,0,0,0,0,0|2,0,0]=4 1994 B11R2.10 O=C1Nc2ncccc2S1 Amb23403194 [2,0,0,0,0,0|2,0,0]=4 1995 B11R2.10 O=C1Oc2ccccc2O1 Amb19514273 [2,0,0,0,0,0|2,0,0]=4 1996 B11R2.10 OC1Nc2ccccc2S1 Amb27847554 [2,0,0,0,0,0|1,0,1]=4 1997 B11R2.10 Oc1cc2ccccc2s1 Amb24518934 [2,0,0,0,0,0|1,0,0]=3 1998 B11R2.10 Oc1cc2ccccn2c1 Amb27841533 [2,0,0,0,0,0|2,0,0]=4 1999 B11R2.10 Oc1cc2ncccc2o1 Amb28385482 [2,0,0,0,0,0|2,0,0]=4 2000 B11R2.10 Oc1cn2ccccc2n1 Amb19515773 [2,0,0,0,0,0|1,0,1]=4 2001 B11R2.10 S=C1Cc2ccccc2N1 Amb1153150 [2,0,0,0,0,0|0,1,1]=4 2002 B11R2.10 S=C1Nc2ccccc2N1 Amb19115313 [2,0,0,0,0,0|1,1,0]=4 2003 B11R2.10 S=C1Nc2ccccc2O1 Amb18799383 [2,0,0,0,0,0|1,1,0]=4 2004 B11R2.10 S=C1Nc2ccccc2S1 Amb18545517 [2,0,0,0,0,0|1,1,0]=4 2005 B11R2.10 Sc1cc2ccccc2s1 Amb24105482 [2,0,0,0,0,0|1,1,0]=4 2006 B13R1.133 C=C(CN1C=CC(=O)C=C1)C(=O)O Amb27655484 [0,1,1,0,0,0|2,0,0]=4 2007 B13R1.133 C=C(Cc1ccc(Br)cc1)C(=O)O Amb27648751 [0,1,1,0,0,0|1,0,0]=3 2008 B13R1.133 C=C(Cc1ccc(F)cc1)C(=O)O Amb27232941 [0,1,1,0,0,0|1,0,0]=3 2009 B13R1.133 CC(=O)C(=O)Nc1ccc(Br)cc1 Amb2383840 [0,1,1,0,0,0|2,0,0]=4 2010 B13R1.133 CC(=O)C(=O)Nc1ccc(C)cc1 Amb17400600 [0,1,1,0,0,0|2,0,0]=4 2011 B13R1.133 CC(=O)C(=O)Nc1ccc(Cl)cc1 Amb2421104 [0,1,1,0,0,0|2,0,0]=4 2012 B13R1.133 CC(=O)C(=O)Nc1ccc(F)cc1 Amb17400856 [0,1,1,0,0,0|2,0,0]=4 2013 B13R1.133 CC(=O)C(=O)Nc1ccc(I)cc1 Amb21949004 [0,1,1,0,0,0|2,0,0]=4 2014 B13R1.133 CC(=O)C(=S)Nc1ccc(Br)cc1 Amb21949008 [0,1,1,0,0,0|2,0,0]=4 2015 B13R1.133 CC(=O)C(=S)Nc1ccc(C)cc1 Amb21949011 [0,1,1,0,0,0|2,0,0]=4 2016 B13R1.133 CC(=O)C(=S)Nc1ccc(Cl)cc1 Amb21949007 [0,1,1,0,0,0|2,0,0]=4 2017 B13R1.133 CC(=O)C(=S)Nc1ccc(I)cc1 Amb21949009 [0,1,1,0,0,0|2,0,0]=4 2018 B13R1.133 CC(=O)\C(Br)=C\c1ccc(Cl)cc1 Amb2433257 [0,1,1,0,0,0|2,0,0]=4 2019 B13R1.133 CC(=O)\C(C)=C\c1ccc(Br)cc1 Amb27636305 [0,1,1,0,0,0|2,0,0]=4 2020 B13R1.133 CC(=O)\C(C)=C\c1ccc(Cl)cc1 Amb27617723 [0,1,1,0,0,0|2,0,0]=4 2021 B13R1.133 CC(Nc1ccc(Br)cc1)C(=O)O Amb840565 [0,1,1,0,0,0|0,0,2]=4 2022 B13R1.133 CC(Nc1ccc(Cl)cc1)C(=O)O Amb840562 [0,1,1,0,0,0|0,0,2]=4 2023 B13R1.133 CC(Nc1ccc(F)cc1)C(=O)O Amb9702106 [0,1,1,0,0,0|0,0,2]=4 2024 B13R1.133 CC(Nc1ccc(N)cc1)C(=O)O Amb25850201 [0,1,1,0,0,0|0,0,2]=4 2025 B13R1.133 CC(Nc1ccc(O)cc1)C(=O)O Amb27771791 [0,1,1,0,0,0|0,0,2]=4 2026 B13R1.133 C[C@@H](Nc1ccc(Cl)cc1)C(=O)O Amb24626586 [0,1,1,0,0,0|0,0,2]=4 2027 B13R1.133 C[C@H](Nc1ccc(Cl)cc1)C(=O)O Amb26032182 [0,1,1,0,0,0|0,0,2]=4 2028 B13R1.133 C[C@H](Nc1ccc(F)cc1)C(=O)O Amb24375534 [0,1,1,0,0,0|0,0,2]=4 2029 B13R1.133 C\C(=C/c1cc[n+]([O-])cc1)C(=O)O Amb27857680 [0,1,1,0,0,0|2,0,0]=4 2030 B13R1.133 C\C(=C/c1ccc(Br)cc1)C(=O)O Amb25696415 [0,1,1,0,0,0|1,0,0]=3 2031 B13R1.133 C\C(=C/c1ccc(C)cc1)C(=O)O Amb4007782 [0,1,1,0,0,0|1,0,0]=3 2032 B13R1.133 C\C(=C/c1ccc(C)nc1)C(=O)O Amb27165831 [0,1,1,0,0,0|2,0,0]=4 2033 B13R1.133 C\C(=C/c1ccc(Cl)cc1)C(=O)O Amb33800051 [0,1,1,0,0,0|1,0,0]=3 2034 B13R1.133 C\C(=C/c1ccc(F)cc1)C(=O)O Amb32835535 [0,1,1,0,0,0|1,0,0]=3 2035 B13R1.133 C\C(=C/c1ccc(I)cc1)C(=O)O Amb17844105 [0,1,1,0,0,0|1,0,0]=3 2036 B13R1.133 C\C(=C/c1ccc(O)cc1)C(=O)O Amb18128066 [0,1,1,0,0,0|1,0,0]=3 2037 B13R1.133 C\C(=C/c1ccc(S)cc1)C(=O)O Amb27607664 [0,1,1,0,0,0|1,0,0]=3 2038 B13R1.133 C\C(=C\c1ccc(Br)cc1)C(=O)O Amb28042216 [0,1,1,0,0,0|1,0,0]=3 2039 B13R1.133 C\C(=C\c1ccc(Br)cn1)C(=O)O Amb27815482 [0,1,1,0,0,0|2,0,0]=4 2040 B13R1.133 C\C(=C\c1ccc(C)cn1)C(=O)O Amb27254577 [0,1,1,0,0,0|2,0,0]=4 2041 B13R1.133 C\C(=C\c1ccc(C)nc1)C(=O)O Amb27597711 [0,1,1,0,0,0|2,0,0]=4 2042 B13R1.133 C\C(=C\c1ccc(Cl)cc1)C(=O)O Amb4010035 [0,1,1,0,0,0|1,0,0]=3 2043 B13R1.133 C\C(=C\c1ccc(I)cc1)C(=O)O Amb28186320 [0,1,1,0,0,0|1,0,0]=3 2044 B13R1.133 C\C(=C\c1ccc(N)nc1)C(=O)O Amb27637678 [0,1,1,0,0,0|2,0,0]=4 2045 B13R1.133 C\C(=C\c1ccc(O)cc1)C(=O)O Amb28186661 [0,1,1,0,0,0|1,0,0]=3 2046 B13R1.133 Cc1ccc(CC(=O)C(=O)O)cc1 Amb1140634 [0,1,1,0,0,0|1,0,1]=4 2047 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 Amb33463040 [0,1,1,0,0,0|0,0,2]=4 2048 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 Amb3788276 [0,1,1,0,0,0|0,0,2]=4 2049 B13R1.133 Cc1ccc(C[C@@H](N)C(=O)O)cc1 Amb8397010 [0,1,1,0,0,0|0,0,2]=4 2050 B13R1.133 Cc1ccc(C[C@H](N)C(=O)O)cc1 Amb8397007 [0,1,1,0,0,0|0,0,2]=4 2051 B13R1.133 Cc1ccc(NC(=O)C(=O)O)cc1 Amb838974 [0,1,1,0,0,0|1,0,0]=3 2052 B13R1.133 Cc1ccc(NC(=O)C(=O)O)cn1 Amb28121575 [0,1,1,0,0,0|2,0,0]=4 2053 B13R1.133 Cc1ccc(NC(=S)C(N)=O)cc1 Amb6865800 [0,1,1,0,0,0|2,0,0]=4 2054 B13R1.133 Cc1ccc(NC(C)C(=O)O)cc1 Amb840549 [0,1,1,0,0,0|0,0,2]=4 2055 B13R1.133 Cc1ccc(N[C@@H](C)C(=O)O)cc1 Amb27453592 [0,1,1,0,0,0|0,0,2]=4 2056 B13R1.133 Cc1ccc(SC(=O)C(=O)O)cc1 Amb28366039 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.133 Cc1ccc(\C=C(/F)C(=O)O)cc1 Amb18128596 [0,1,1,0,0,0|1,0,0]=3 2058 B13R1.133 Cc1ccc(\C=C(\Br)C(=O)O)cc1 Amb28042378 [0,1,1,0,0,0|1,0,0]=3 2059 B13R1.133 Cc1ccc(\C=C(\S)C(=O)O)cc1 Amb25950062 [0,1,1,0,0,0|1,0,0]=3 2060 B13R1.133 N=C(Nc1ccc(O)cc1)S(=O)O Amb5494092 [0,1,1,0,0,0|2,0,0]=4 2061 B13R1.133 NC(=O)C(=O)Nc1ccc(Cl)cc1 Amb1831097 [0,1,1,0,0,0|2,0,0]=4 2062 B13R1.133 NC(=O)C(=O)Nc1ccc(F)cc1 Amb3613977 [0,1,1,0,0,0|2,0,0]=4 2063 B13R1.133 NC(=O)C(=O)Nc1ccc(O)cc1 Amb18128559 [0,1,1,0,0,0|2,0,0]=4 2064 B13R1.133 NC(=O)C(=S)Nc1ccc(Br)cc1 Amb6875689 [0,1,1,0,0,0|2,0,0]=4 2065 B13R1.133 NC(=O)C(=S)Nc1ccc(Cl)cc1 Amb6875687 [0,1,1,0,0,0|2,0,0]=4 2066 B13R1.133 NC(=O)C(=S)Nc1ccc(N)cc1 Amb27650589 [0,1,1,0,0,0|2,0,0]=4 2067 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O Amb22490717 [0,1,1,0,0,0|0,0,2]=4 2068 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O Amb2713315 [0,1,1,0,0,0|0,0,2]=4 2069 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O Amb30867690 [0,1,1,0,0,0|0,0,2]=4 2070 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O Amb8469810 [0,1,1,0,0,0|0,0,2]=4 2071 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O Amb9724294 [0,1,1,0,0,0|0,0,2]=4 2072 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O Amb20246818 [0,1,1,0,0,0|0,0,2]=4 2073 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O Amb6342375 [0,1,1,0,0,0|0,0,2]=4 2074 B13R1.133 NC(Cc1ccc(I)cc1)C(=O)O Amb3796904 [0,1,1,0,0,0|0,0,2]=4 2075 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O Amb22730237 [0,1,1,0,0,0|0,0,2]=4 2076 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O Amb9703113 [0,1,1,0,0,0|0,0,2]=4 2077 B13R1.133 NC(Cc1ccc(S)cc1)C(=O)O Amb27870593 [0,1,1,0,0,0|0,0,2]=4 2078 B13R1.133 NC(Cc1ccc(S)cc1)C(=O)O Amb33482800 [0,1,1,0,0,0|0,0,2]=4 2079 B13R1.133 N[C@@H](Cc1ccc(Br)cc1)C(=O)O Amb6295861 [0,1,1,0,0,0|0,0,2]=4 2080 B13R1.133 N[C@@H](Cc1ccc(Cl)cc1)C(=O)O Amb2719692 [0,1,1,0,0,0|0,0,2]=4 2081 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(=O)O Amb2688314 [0,1,1,0,0,0|0,0,2]=4 2082 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(=O)O Amb6295863 [0,1,1,0,0,0|0,0,2]=4 2083 B13R1.133 N[C@@H](Cc1ccc(I)cc1)C(=O)O Amb3941497 [0,1,1,0,0,0|0,0,2]=4 2084 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O Amb22351112 [0,1,1,0,0,0|0,0,2]=4 2085 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O Amb533651 [0,1,1,0,0,0|0,0,2]=4 2086 B13R1.133 N[C@H](Cc1ccc(Br)cc1)C(=O)O Amb20241889 [0,1,1,0,0,0|0,0,2]=4 2087 B13R1.133 N[C@H](Cc1ccc(Br)cc1)C(=O)O Amb3938905 [0,1,1,0,0,0|0,0,2]=4 2088 B13R1.133 N[C@H](Cc1ccc(Cl)cc1)C(=O)O Amb6295862 [0,1,1,0,0,0|0,0,2]=4 2089 B13R1.133 N[C@H](Cc1ccc(Cl)cc1)C(=O)O Amb8390370 [0,1,1,0,0,0|0,0,2]=4 2090 B13R1.133 N[C@H](Cc1ccc(F)cc1)C(=O)O Amb2720054 [0,1,1,0,0,0|0,0,2]=4 2091 B13R1.133 N[C@H](Cc1ccc(F)cc1)C(=O)O Amb4034642 [0,1,1,0,0,0|0,0,2]=4 2092 B13R1.133 N[C@H](Cc1ccc(I)cc1)C(=O)O Amb6298337 [0,1,1,0,0,0|0,0,2]=4 2093 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O Amb2718757 [0,1,1,0,0,0|0,0,2]=4 2094 B13R1.133 N\C(=C\c1ccc(Br)cc1)C(=O)O Amb29883100 [0,1,1,0,0,0|0,0,0]=2 2095 B13R1.133 N\C(=C\c1ccc(Br)cn1)C(=O)O Amb35644575 [0,1,1,0,0,0|1,0,0]=3 2096 B13R1.133 N\C(=C\c1ccc(Cl)cc1)C(=O)O Amb27399082 [0,1,1,0,0,0|0,0,0]=2 2097 B13R1.133 Nc1ccc(CC(=O)C(=O)O)cc1 Amb24433983 [0,1,1,0,0,0|1,0,1]=4 2098 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 Amb24079001 [0,1,1,0,0,0|0,0,2]=4 2099 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 Amb6357138 [0,1,1,0,0,0|0,0,2]=4 2100 B13R1.133 Nc1ccc(C[C@@H](N)C(=O)O)cc1 Amb19130487 [0,1,1,0,0,0|0,0,2]=4 2101 B13R1.133 Nc1ccc(C[C@@H](N)C(=O)O)cc1 Amb8397002 [0,1,1,0,0,0|0,0,2]=4 2102 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 Amb6295864 [0,1,1,0,0,0|0,0,2]=4 2103 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 Amb6365459 [0,1,1,0,0,0|0,0,2]=4 2104 B13R1.133 Nc1ccc(NC(=O)C(=O)O)cc1 Amb1348301 [0,1,1,0,0,0|1,0,0]=3 2105 B13R1.133 Nc1ccc(NC(=S)C(=O)O)cc1 Amb27858852 [0,1,1,0,0,0|1,0,0]=3 2106 B13R1.133 Nc1ccc(\C=C(\F)C(=O)O)cc1 Amb27659003 [0,1,1,0,0,0|1,0,0]=3 2107 B13R1.133 O=C(O)C(=O)Cc1ccc(Br)cc1 Amb1140012 [0,1,1,0,0,0|1,0,1]=4 2108 B13R1.133 O=C(O)C(=O)Cc1ccc(Cl)cc1 Amb1141688 [0,1,1,0,0,0|1,0,1]=4 2109 B13R1.133 O=C(O)C(=O)Cc1ccc(F)cc1 Amb1130482 [0,1,1,0,0,0|1,0,1]=4 2110 B13R1.133 O=C(O)C(=O)Cc1ccc(I)cc1 Amb26533898 [0,1,1,0,0,0|1,0,1]=4 2111 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 Amb1124591 [0,1,1,0,0,0|1,0,1]=4 2112 B13R1.133 O=C(O)C(=O)Nc1ccc(Br)cc1 Amb838965 [0,1,1,0,0,0|1,0,0]=3 2113 B13R1.133 O=C(O)C(=O)Nc1ccc(Br)cn1 Amb9304036 [0,1,1,0,0,0|2,0,0]=4 2114 B13R1.133 O=C(O)C(=O)Nc1ccc(Cl)cc1 Amb2371148 [0,1,1,0,0,0|1,0,0]=3 2115 B13R1.133 O=C(O)C(=O)Nc1ccc(Cl)cn1 Amb9304039 [0,1,1,0,0,0|2,0,0]=4 2116 B13R1.133 O=C(O)C(=O)Nc1ccc(F)cc1 Amb9303980 [0,1,1,0,0,0|1,0,0]=3 2117 B13R1.133 O=C(O)C(=O)Nc1ccc(I)cc1 Amb9303921 [0,1,1,0,0,0|1,0,0]=3 2118 B13R1.133 O=C(O)\C(F)=C\c1ccc(Br)cc1 Amb27415963 [0,1,1,0,0,0|1,0,0]=3 2119 B13R1.133 O=C(O)\C(F)=C\c1ccc(Cl)cc1 Amb25209028 [0,1,1,0,0,0|1,0,0]=3 2120 B13R1.133 O=C(O)\C(F)=C\c1ccc(F)cc1 Amb25858140 [0,1,1,0,0,0|1,0,0]=3 2121 B13R1.133 O=C(O)\C(O)=C\c1ccc(F)cc1 Amb22549399 [0,1,1,0,0,0|1,0,0]=3 2122 B13R1.133 O=C(O)\C(S)=C/c1ccc(Cl)cc1 Amb2550970 [0,1,1,0,0,0|1,0,0]=3 2123 B13R1.133 O=C(O)\C(S)=C\c1ccc(Br)cc1 Amb1250113 [0,1,1,0,0,0|1,0,0]=3 2124 B13R1.133 O=C(O)\C(S)=C\c1ccc(F)cc1 Amb1250112 [0,1,1,0,0,0|1,0,0]=3 2125 B13R1.133 O=C(O)\C(S)=C\c1ccc(I)cc1 Amb24400252 [0,1,1,0,0,0|1,0,0]=3 2126 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 Amb27653164 [0,1,1,0,0,0|2,0,0]=4 2127 B13R1.135 C=C(Cc1ccccc1)C(=O)OC Amb8390348 [0,1,1,0,0,0|1,0,0]=3 2128 B13R1.135 C=CC(=O)\C(C)=C\c1ccccc1 Amb33081532 [0,1,1,0,0,0|2,0,0]=4 2129 B13R1.135 CCC(=O)\C(C)=C\c1ccccc1 Amb27428384 [0,1,1,0,0,0|2,0,0]=4 2130 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 Amb1798389 [0,1,1,0,0,0|2,0,0]=4 2131 B13R1.135 CNC(=O)\C(C)=C\c1ccccc1 Amb3447584 [0,1,1,0,0,0|2,0,0]=4 2132 B13R1.135 COC(=O)C(=O)Cc1ccccc1 Amb17138843 [0,1,1,0,0,0|1,0,1]=4 2133 B13R1.135 COC(=O)C(=O)Nc1ccccn1 Amb2604638 [0,1,1,0,0,0|2,0,0]=4 2134 B13R1.135 COC(=O)C(=O)Nc1ccncc1 Amb27625625 [0,1,1,0,0,0|2,0,0]=4 2135 B13R1.135 COC(=O)C(C)Nc1ccccc1 Amb4137936 [0,1,1,0,0,0|0,0,2]=4 2136 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb1779248 [0,1,1,0,0,0|0,0,2]=4 2137 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb22489492 [0,1,1,0,0,0|0,0,2]=4 2138 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb6335185 [0,1,1,0,0,0|0,0,2]=4 2139 B13R1.135 COC(=O)[C@@H](N)Cc1ccccc1 Amb533665 [0,1,1,0,0,0|0,0,2]=4 2140 B13R1.135 COC(=O)[C@@H](N)Cc1ccccc1 Amb6364970 [0,1,1,0,0,0|0,0,2]=4 2141 B13R1.135 COC(=O)[C@H](N)Cc1ccccc1 Amb3939007 [0,1,1,0,0,0|0,0,2]=4 2142 B13R1.135 COC(=O)[C@H](N)Cc1ccccc1 Amb8396272 [0,1,1,0,0,0|0,0,2]=4 2143 B13R1.135 COC(=O)\C(Br)=C\c1ccccc1 Amb24331619 [0,1,1,0,0,0|1,0,0]=3 2144 B13R1.135 C\C(=C/c1ccccc1)C(=O)CCl Amb27657602 [0,1,1,0,0,0|2,0,0]=4 2145 B13R1.135 C\C(=C/c1ccccc1)C(=O)CN Amb33476121 [0,1,1,0,0,0|2,0,0]=4 2146 B13R1.135 NC(Cc1ccccc1)C(=O)NO Amb22349822 [0,1,1,0,0,0|0,0,2]=4 2147 B13R1.135 NNC(=O)C(=O)Nc1ccccc1 Amb2420650 [0,1,1,0,0,0|2,0,0]=4 2148 B13R1.135 NNC(=O)\C(F)=C\c1ccccc1 Amb27833930 [0,1,1,0,0,0|2,0,0]=4 2149 B13R1.135 N[C@H](Cc1ccccc1)C(=O)NO Amb27587806 [0,1,1,0,0,0|0,0,2]=4 2150 B13R1.135 O=C(NO)C(=O)Nc1ccccc1 Amb27439064 [0,1,1,0,0,0|1,0,0]=3 2151 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=C/O Amb27755040 [0,1,1,0,0,0|2,0,0]=4 2152 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N/O Amb27473306 [0,1,1,0,0,0|2,0,0]=4 2153 B13R1.135 O=C(Nc1ccccc1)\C(Cl)=N\O Amb5720077 [0,1,1,0,0,0|2,0,0]=4 2154 B13R1.148 C=C(Cc1cccc(O)c1)C(=O)O Amb28291558 [0,1,1,0,0,0|1,0,0]=3 2155 B13R1.148 CC(=O)C(=O)Nc1cccc(Br)c1 Amb17410540 [0,1,1,0,0,0|2,0,0]=4 2156 B13R1.148 CC(=O)C(=O)Nc1cccc(C)c1 Amb17400599 [0,1,1,0,0,0|2,0,0]=4 2157 B13R1.148 CC(=O)C(=O)Nc1cccc(Cl)c1 Amb17402223 [0,1,1,0,0,0|2,0,0]=4 2158 B13R1.148 CC(=O)C(=O)Nc1cccc(F)c1 Amb17400857 [0,1,1,0,0,0|2,0,0]=4 2159 B13R1.148 CC(=O)\C(C)=C\c1cccc(Br)c1 Amb28240585 [0,1,1,0,0,0|2,0,0]=4 2160 B13R1.148 CC(=O)\C(C)=C\c1cccc(Cl)c1 Amb27454684 [0,1,1,0,0,0|2,0,0]=4 2161 B13R1.148 CC(=O)\C(C)=C\c1cccc(F)c1 Amb26542885 [0,1,1,0,0,0|2,0,0]=4 2162 B13R1.148 CC(=O)\C(C)=C\c1cccc(I)c1 Amb28045755 [0,1,1,0,0,0|2,0,0]=4 2163 B13R1.148 CC(Nc1cccc(Br)c1)C(=O)O Amb840564 [0,1,1,0,0,0|0,0,2]=4 2164 B13R1.148 CC(Nc1cccc(Cl)c1)C(=O)O Amb840561 [0,1,1,0,0,0|0,0,2]=4 2165 B13R1.148 CC(Nc1cccc(F)c1)C(=O)O Amb840558 [0,1,1,0,0,0|0,0,2]=4 2166 B13R1.148 CC(Nc1cccc(N)c1)C(=O)O Amb27608588 [0,1,1,0,0,0|0,0,2]=4 2167 B13R1.148 C[C@H](Nc1cccc(F)c1)C(=O)O Amb24495647 [0,1,1,0,0,0|0,0,2]=4 2168 B13R1.148 C\C(=C/c1cc(C)ccn1)C(=O)O Amb28137941 [0,1,1,0,0,0|2,0,0]=4 2169 B13R1.148 C\C(=C/c1cccc(Br)c1)C(=O)O Amb22339395 [0,1,1,0,0,0|1,0,0]=3 2170 B13R1.148 C\C(=C/c1cccc(C)c1)C(=O)O Amb4009520 [0,1,1,0,0,0|1,0,0]=3 2171 B13R1.148 C\C(=C/c1cccc(Cl)c1)C(=O)O Amb4007781 [0,1,1,0,0,0|1,0,0]=3 2172 B13R1.148 C\C(=C/c1cccc(F)c1)C(=O)O Amb24745620 [0,1,1,0,0,0|1,0,0]=3 2173 B13R1.148 C\C(=C/c1cccc(I)c1)C(=O)O Amb27393743 [0,1,1,0,0,0|1,0,0]=3 2174 B13R1.148 C\C(=C\c1ccnc(Br)c1)C(=O)O Amb27951843 [0,1,1,0,0,0|2,0,0]=4 2175 B13R1.148 Cc1cccc(CC(=O)C(=O)O)c1 Amb1131949 [0,1,1,0,0,0|1,0,1]=4 2176 B13R1.148 Cc1cccc(CC(N)C(=O)O)c1 Amb33551326 [0,1,1,0,0,0|0,0,2]=4 2177 B13R1.148 Cc1cccc(CC(N)C(=O)O)c1 Amb3788275 [0,1,1,0,0,0|0,0,2]=4 2178 B13R1.148 Cc1cccc(C[C@@H](N)C(=O)O)c1 Amb8397009 [0,1,1,0,0,0|0,0,2]=4 2179 B13R1.148 Cc1cccc(C[C@H](N)C(=O)O)c1 Amb8397006 [0,1,1,0,0,0|0,0,2]=4 2180 B13R1.148 Cc1cccc(NC(=O)C(=O)O)c1 Amb838988 [0,1,1,0,0,0|1,0,0]=3 2181 B13R1.148 Cc1cccc(NC(=O)C(=O)O)n1 Amb3596797 [0,1,1,0,0,0|2,0,0]=4 2182 B13R1.148 Cc1cccc(NC(=O)C(N)=O)c1 Amb3439140 [0,1,1,0,0,0|2,0,0]=4 2183 B13R1.148 Cc1cccc(NC(=S)C(=O)O)c1 Amb27985884 [0,1,1,0,0,0|1,0,0]=3 2184 B13R1.148 Cc1cccc(NC(=S)C(N)=O)c1 Amb6875688 [0,1,1,0,0,0|2,0,0]=4 2185 B13R1.148 Cc1cccc(NC(C)C(=O)O)c1 Amb840548 [0,1,1,0,0,0|0,0,2]=4 2186 B13R1.148 Cc1cccc(N[C@@H](C)C(=O)O)c1 Amb16231733 [0,1,1,0,0,0|0,0,2]=4 2187 B13R1.148 Cc1cccc(\C=C(/F)C(=O)O)c1 Amb32677835 [0,1,1,0,0,0|1,0,0]=3 2188 B13R1.148 NC(=O)C(=O)Nc1cccc(F)c1 Amb27765660 [0,1,1,0,0,0|2,0,0]=4 2189 B13R1.148 NC(=O)C(=O)Nc1cccc(N)c1 Amb25129171 [0,1,1,0,0,0|2,0,0]=4 2190 B13R1.148 NC(=O)C(=O)Nc1cccc(O)c1 Amb13781379 [0,1,1,0,0,0|2,0,0]=4 2191 B13R1.148 NC(=O)C(=S)Nc1cccc(F)c1 Amb27641474 [0,1,1,0,0,0|2,0,0]=4 2192 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O Amb33551434 [0,1,1,0,0,0|0,0,2]=4 2193 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O Amb3790941 [0,1,1,0,0,0|0,0,2]=4 2194 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O Amb20622650 [0,1,1,0,0,0|0,0,2]=4 2195 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O Amb3788687 [0,1,1,0,0,0|0,0,2]=4 2196 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O Amb2688313 [0,1,1,0,0,0|0,0,2]=4 2197 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O Amb28468151 [0,1,1,0,0,0|0,0,2]=4 2198 B13R1.148 NC(Cc1cccc(I)c1)C(=O)O Amb3796903 [0,1,1,0,0,0|0,0,2]=4 2199 B13R1.148 NC(Cc1cccc(O)c1)C(=O)O Amb9727593 [0,1,1,0,0,0|0,0,2]=4 2200 B13R1.148 NC(Cc1cccc(S)c1)C(=O)O Amb28119335 [0,1,1,0,0,0|0,0,2]=4 2201 B13R1.148 NC(Cc1cccc(S)c1)C(=O)O Amb33330728 [0,1,1,0,0,0|0,0,2]=4 2202 B13R1.148 N[C@@H](Cc1cccc(Br)c1)C(=O)O Amb32409701 [0,1,1,0,0,0|0,0,2]=4 2203 B13R1.148 N[C@@H](Cc1cccc(Br)c1)C(=O)O Amb8396992 [0,1,1,0,0,0|0,0,2]=4 2204 B13R1.148 N[C@@H](Cc1cccc(Cl)c1)C(=O)O Amb8390369 [0,1,1,0,0,0|0,0,2]=4 2205 B13R1.148 N[C@@H](Cc1cccc(Cl)c1)C(=O)O Amb8396996 [0,1,1,0,0,0|0,0,2]=4 2206 B13R1.148 N[C@@H](Cc1cccc(F)c1)C(=O)O Amb6295851 [0,1,1,0,0,0|0,0,2]=4 2207 B13R1.148 N[C@@H](Cc1cccc(I)c1)C(=O)O Amb22229331 [0,1,1,0,0,0|0,0,2]=4 2208 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(=O)O Amb6295781 [0,1,1,0,0,0|0,0,2]=4 2209 B13R1.148 N[C@@H](Cc1cccc(S)c1)C(=O)O Amb27404833 [0,1,1,0,0,0|0,0,2]=4 2210 B13R1.148 N[C@H](Cc1cccc(Br)c1)C(=O)O Amb8396991 [0,1,1,0,0,0|0,0,2]=4 2211 B13R1.148 N[C@H](Cc1cccc(Cl)c1)C(=O)O Amb6295852 [0,1,1,0,0,0|0,0,2]=4 2212 B13R1.148 N[C@H](Cc1cccc(F)c1)C(=O)O Amb8389455 [0,1,1,0,0,0|0,0,2]=4 2213 B13R1.148 N[C@H](Cc1cccc(I)c1)C(=O)O Amb22229329 [0,1,1,0,0,0|0,0,2]=4 2214 B13R1.148 N[C@H](Cc1cccc(O)c1)C(=O)O Amb8396995 [0,1,1,0,0,0|0,0,2]=4 2215 B13R1.148 N\C(=C\c1cccc(Br)c1)C(=O)O Amb29883096 [0,1,1,0,0,0|0,0,0]=2 2216 B13R1.148 Nc1cccc(CC(N)C(=O)O)c1 Amb21864824 [0,1,1,0,0,0|0,0,2]=4 2217 B13R1.148 Nc1cccc(C[C@H](N)C(=O)O)c1 Amb33801893 [0,1,1,0,0,0|0,0,2]=4 2218 B13R1.148 Nc1cccc(C[C@H](N)C(=O)O)c1 Amb33872488 [0,1,1,0,0,0|0,0,2]=4 2219 B13R1.148 O=C(O)C(=O)Cc1cccc(Br)c1 Amb1137720 [0,1,1,0,0,0|1,0,1]=4 2220 B13R1.148 O=C(O)C(=O)Cc1cccc(Cl)c1 Amb1135307 [0,1,1,0,0,0|1,0,1]=4 2221 B13R1.148 O=C(O)C(=O)Cc1cccc(F)c1 Amb1126816 [0,1,1,0,0,0|1,0,1]=4 2222 B13R1.148 O=C(O)C(=O)Cc1cccc(I)c1 Amb27768916 [0,1,1,0,0,0|1,0,1]=4 2223 B13R1.148 O=C(O)C(=O)Cc1cccc(O)c1 Amb1141341 [0,1,1,0,0,0|1,0,1]=4 2224 B13R1.148 O=C(O)C(=O)Nc1cccc(Br)c1 Amb838964 [0,1,1,0,0,0|1,0,0]=3 2225 B13R1.148 O=C(O)C(=O)Nc1cccc(Cl)c1 Amb838963 [0,1,1,0,0,0|1,0,0]=3 2226 B13R1.148 O=C(O)C(=O)Nc1cccc(F)c1 Amb9303976 [0,1,1,0,0,0|1,0,0]=3 2227 B13R1.148 O=C(O)C(=O)Nc1cncc(Cl)c1 Amb29864905 [0,1,1,0,0,0|2,0,0]=4 2228 B13R1.148 O=C(O)C(=S)Cc1cccc(Cl)c1 Amb27798340 [0,1,1,0,0,0|1,0,1]=4 2229 B13R1.148 O=C(O)\C(Br)=C\c1cccc(Cl)c1 Amb2794050 [0,1,1,0,0,0|1,0,0]=3 2230 B13R1.148 O=C(O)\C(Cl)=C/c1cccc(Cl)c1 Amb27427070 [0,1,1,0,0,0|1,0,0]=3 2231 B13R1.148 O=C(O)\C(F)=C\c1cccc(Br)c1 Amb24520960 [0,1,1,0,0,0|1,0,0]=3 2232 B13R1.148 O=C(O)\C(F)=C\c1cccc(Cl)c1 Amb25085473 [0,1,1,0,0,0|1,0,0]=3 2233 B13R1.148 O=C(O)\C(F)=C\c1cccc(F)c1 Amb27162615 [0,1,1,0,0,0|1,0,0]=3 2234 B13R1.148 O=C(O)\C(F)=C\c1cccc(O)c1 Amb26474923 [0,1,1,0,0,0|1,0,0]=3 2235 B13R1.148 O=C(O)\C(S)=C\c1cccc(Cl)c1 Amb4036384 [0,1,1,0,0,0|1,0,0]=3 2236 B13R1.152 C=C(C(=C)c1ccccc1)C(=O)O Amb27760436 [0,1,1,0,0,0|1,0,0]=3 2237 B13R1.152 C=C(C(=O)O)C(C)c1ccccc1 Amb24634053 [0,1,1,0,0,0|1,0,0]=3 2238 B13R1.152 C=C(C(=O)O)C(O)c1ccccc1 Amb27477832 [0,1,1,0,0,0|1,0,0]=3 2239 B13R1.152 C=C(C(C)=O)C(=O)c1ccccc1 Amb17594383 [0,1,1,0,0,0|2,0,0]=4 2240 B13R1.152 C=C(C(C)=O)C(N)c1ccccc1 Amb27647520 [0,1,1,0,0,0|2,0,0]=4 2241 B13R1.152 C=C(C(C)=O)C(O)c1ccccc1 Amb6537578 [0,1,1,0,0,0|2,0,0]=4 2242 B13R1.152 C=C(C(C)=O)[C@@H](N)c1ccccc1 Amb28429564 [0,1,1,0,0,0|2,0,0]=4 2243 B13R1.152 C=C(C(N)=O)C(N)c1ccccc1 Amb27882833 [0,1,1,0,0,0|2,0,0]=4 2244 B13R1.152 C=C(C(N)=O)[C@@H](N)c1ccccc1 Amb28365000 [0,1,1,0,0,0|2,0,0]=4 2245 B13R1.152 C=C(C(N)=O)[C@H](O)c1ccccc1 Amb28397965 [0,1,1,0,0,0|2,0,0]=4 2246 B13R1.152 C=C(c1ccccc1)C(C)C(=O)O Amb18127713 [0,1,1,0,0,0|1,0,1]=4 2247 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 Amb2424343 [0,1,1,0,0,0|2,0,0]=4 2248 B13R1.152 CC(=O)\C(C)=C(/O)c1ccccc1 Amb17594481 [0,1,1,0,0,0|2,0,0]=4 2249 B13R1.152 CC(=O)\C(C)=C(\N)c1ccccc1 Amb27966823 [0,1,1,0,0,0|2,0,0]=4 2250 B13R1.152 CC(C(=O)C(=O)O)c1ccccc1 Amb18648106 [0,1,1,0,0,0|1,0,1]=4 2251 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 Amb5762145 [0,1,1,0,0,0|0,0,2]=4 2252 B13R1.152 CC(C(=S)C(=O)O)c1ccccc1 Amb27409058 [0,1,1,0,0,0|1,0,1]=4 2253 B13R1.152 CC(c1ccccc1)C(N)C(=O)O Amb10072242 [0,1,1,0,0,0|0,0,2]=4 2254 B13R1.152 CC(c1ccccc1)C(N)C(=O)O Amb2696733 [0,1,1,0,0,0|0,0,2]=4 2255 B13R1.152 CC(c1ccccc1)[C@H](N)C(=O)O Amb2694835 [0,1,1,0,0,0|0,0,2]=4 2256 B13R1.152 CN(C(=O)C(=O)O)c1ccccc1 Amb9303801 [0,1,1,0,0,0|1,0,0]=3 2257 B13R1.152 CN(C(=O)C(N)=O)c1ccccc1 Amb27834347 [0,1,1,0,0,0|2,0,0]=4 2258 B13R1.152 C[C@@H](c1ccccc1)C(N)C(=O)O Amb27645474 [0,1,1,0,0,0|0,0,2]=4 2259 B13R1.152 C[C@@H](c1ccccc1)[C@H](N)C(=O)O Amb4021752 [0,1,1,0,0,0|0,0,2]=4 2260 B13R1.152 C[C@H](C(=O)O)N(C)c1ccccc1 Amb27234440 [0,1,1,0,0,0|0,0,2]=4 2261 B13R1.152 C[C@H](c1ccccc1)[C@@H](N)C(=O)O Amb22801136 [0,1,1,0,0,0|0,0,2]=4 2262 B13R1.152 C[C@H](c1ccccc1)[C@H](N)C(=O)O Amb28243568 [0,1,1,0,0,0|0,0,2]=4 2263 B13R1.152 C\C(=C(\F)C(=O)O)c1ccccc1 Amb18128594 [0,1,1,0,0,0|1,0,0]=3 2264 B13R1.152 C\C(C(=O)O)=C(\C)c1ccccc1 Amb18127724 [0,1,1,0,0,0|1,0,0]=3 2265 B13R1.152 C\C(C(=O)O)=C(\C)c1ccncc1 Amb27485139 [0,1,1,0,0,0|2,0,0]=4 2266 B13R1.152 C\C(O)=C(\C)C(=O)c1ccccc1 Amb24378973 [0,1,1,0,0,0|2,0,0]=4 2267 B13R1.152 NC(C(=O)O)C(Cl)c1ccccc1 Amb9809972 [0,1,1,0,0,0|0,0,2]=4 2268 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 Amb2228459 [0,1,1,0,0,0|0,0,2]=4 2269 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 Amb533731 [0,1,1,0,0,0|0,0,2]=4 2270 B13R1.152 N[C@@H](C(=O)O)[C@@H](F)c1ccccc1 Amb27400343 [0,1,1,0,0,0|0,0,2]=4 2271 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 Amb26968525 [0,1,1,0,0,0|0,0,2]=4 2272 B13R1.152 N[C@@H](C(=O)O)[C@H](F)c1ccccc1 Amb27179073 [0,1,1,0,0,0|0,0,2]=4 2273 B13R1.152 N[C@H](C(=O)O)C(O)c1ccccc1 Amb27180158 [0,1,1,0,0,0|0,0,2]=4 2274 B13R1.152 N[C@H](C(=O)O)[C@@H](F)c1ccccc1 Amb27983777 [0,1,1,0,0,0|0,0,2]=4 2275 B13R1.152 N[C@H](C(=O)O)[C@H](F)c1ccccc1 Amb27974203 [0,1,1,0,0,0|0,0,2]=4 2276 B13R1.152 N[C@H](C(=O)O)[C@H](O)c1ccccc1 Amb8516907 [0,1,1,0,0,0|0,0,2]=4 2277 B13R1.152 O=C(O)C(=O)C(=O)c1ccccc1 Amb31096952 [0,1,1,0,0,0|1,0,0]=3 2278 B13R1.152 O=C(O)C(=O)C(=O)c1ccccn1 Amb31096954 [0,1,1,0,0,0|2,0,0]=4 2279 B13R1.152 O=C(O)C(=O)C(=O)c1cccnc1 Amb31096955 [0,1,1,0,0,0|2,0,0]=4 2280 B13R1.152 O=C(O)C(=O)C(=O)c1ccncc1 Amb31096956 [0,1,1,0,0,0|2,0,0]=4 2281 B13R1.152 O=C(O)C(=O)C(Br)c1ccccc1 Amb18135901 [0,1,1,0,0,0|1,0,1]=4 2282 B13R1.152 O=C(O)C(=O)C(F)c1ccccc1 Amb27179146 [0,1,1,0,0,0|1,0,1]=4 2283 B13R1.152 O=C(O)C(=O)C(O)c1ccccc1 Amb27400378 [0,1,1,0,0,0|1,0,1]=4 2284 B13R1.152 O=C(O)\C(Br)=C(/Br)c1ccccc1 Amb28240921 [0,1,1,0,0,0|1,0,0]=3 2285 B13R1.152 O=C(O)\C(Br)=C(\Br)c1ccccc1 Amb4013024 [0,1,1,0,0,0|1,0,0]=3 2286 B13R1.152 O=C(O)\C(Cl)=C(\F)c1ccccc1 Amb26913366 [0,1,1,0,0,0|1,0,0]=3 2287 B13R1.202 C=C(Cc1ccccc1C)C(=O)O Amb27401861 [0,1,1,0,0,0|1,0,0]=3 2288 B13R1.202 C=C(Oc1ccccc1O)C(N)=O Amb18648219 [0,1,1,0,0,0|2,0,0]=4 2289 B13R1.202 CC(=O)C(=O)Nc1ccccc1Br Amb17410539 [0,1,1,0,0,0|2,0,0]=4 2290 B13R1.202 CC(=O)C(=O)Nc1ccccc1C Amb17400598 [0,1,1,0,0,0|2,0,0]=4 2291 B13R1.202 CC(=O)C(=O)Nc1ccccc1Cl Amb17402222 [0,1,1,0,0,0|2,0,0]=4 2292 B13R1.202 CC(=O)C(=O)Nc1ccccc1F Amb17400855 [0,1,1,0,0,0|2,0,0]=4 2293 B13R1.202 CC(Nc1ccccc1Br)C(=O)O Amb840563 [0,1,1,0,0,0|0,0,2]=4 2294 B13R1.202 CC(Nc1ccccc1Cl)C(=O)O Amb840560 [0,1,1,0,0,0|0,0,2]=4 2295 B13R1.202 CC(Nc1ccccc1F)C(=O)O Amb840557 [0,1,1,0,0,0|0,0,2]=4 2296 B13R1.202 CC(Nc1ccccc1I)C(=O)O Amb27657485 [0,1,1,0,0,0|0,0,2]=4 2297 B13R1.202 C[C@H](Nc1ccccc1Cl)C(=O)O Amb28121138 [0,1,1,0,0,0|0,0,2]=4 2298 B13R1.202 C\C(=C/c1ccccc1Br)C(=O)O Amb27181049 [0,1,1,0,0,0|1,0,0]=3 2299 B13R1.202 C\C(=C/c1ccccc1C)C(=O)O Amb4013359 [0,1,1,0,0,0|1,0,0]=3 2300 B13R1.202 C\C(=C/c1ccccc1Cl)C(=O)O Amb4005937 [0,1,1,0,0,0|1,0,0]=3 2301 B13R1.202 C\C(=C/c1ccccc1F)C(=O)O Amb5743929 [0,1,1,0,0,0|1,0,0]=3 2302 B13R1.202 C\C(=C/c1ccccc1O)C(=O)O Amb27881651 [0,1,1,0,0,0|1,0,0]=3 2303 B13R1.202 C\C(=C\c1ccccc1Br)C(=O)O Amb28128655 [0,1,1,0,0,0|1,0,0]=3 2304 B13R1.202 C\C(=C\c1ccccc1F)C(=O)O Amb27403871 [0,1,1,0,0,0|1,0,0]=3 2305 B13R1.202 C\C(=C\c1ccccc1N)C(=O)O Amb28436850 [0,1,1,0,0,0|1,0,0]=3 2306 B13R1.202 C\C(=N/c1ccccc1C)C(=O)O Amb27415502 [0,1,1,0,0,0|0,0,2]=4 2307 B13R1.202 Cc1ccccc1CC(=O)C(=O)O Amb1125804 [0,1,1,0,0,0|1,0,1]=4 2308 B13R1.202 Cc1ccccc1CC(N)C(=O)O Amb3788277 [0,1,1,0,0,0|0,0,2]=4 2309 B13R1.202 Cc1ccccc1CC(N)C(=O)O Amb5718718 [0,1,1,0,0,0|0,0,2]=4 2310 B13R1.202 Cc1ccccc1C[C@@H](N)C(=O)O Amb8397008 [0,1,1,0,0,0|0,0,2]=4 2311 B13R1.202 Cc1ccccc1C[C@H](N)C(=O)O Amb8397005 [0,1,1,0,0,0|0,0,2]=4 2312 B13R1.202 Cc1ccccc1NC(=O)C(=O)O Amb838973 [0,1,1,0,0,0|1,0,0]=3 2313 B13R1.202 Cc1ccccc1NC(C)C(=O)O Amb840547 [0,1,1,0,0,0|0,0,2]=4 2314 B13R1.202 Cc1ccccc1N[C@@H](C)C(=O)O Amb16231747 [0,1,1,0,0,0|0,0,2]=4 2315 B13R1.202 Cc1ccccc1\C=C(/F)C(=O)O Amb32677834 [0,1,1,0,0,0|1,0,0]=3 2316 B13R1.202 Cc1ccccc1\C=C(/S)C(=O)O Amb24115487 [0,1,1,0,0,0|1,0,0]=3 2317 B13R1.202 Cc1ccccc1\C=C(\N)C(=O)O Amb28078042 [0,1,1,0,0,0|0,0,0]=2 2318 B13R1.202 Cc1ccccc1\C=C(\S)C(=O)O Amb27650601 [0,1,1,0,0,0|1,0,0]=3 2319 B13R1.202 Cc1ccncc1\C=C(\N)C(=O)O Amb27664554 [0,1,1,0,0,0|1,0,0]=3 2320 B13R1.202 N=C(Nc1ccccc1Cl)C(=O)O Amb27876025 [0,1,1,0,0,0|1,0,0]=3 2321 B13R1.202 N=C(Nc1ccccc1O)S(=O)O Amb17595301 [0,1,1,0,0,0|2,0,0]=4 2322 B13R1.202 NC(=O)C(=O)Nc1ccccc1Br Amb27604038 [0,1,1,0,0,0|2,0,0]=4 2323 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl Amb1014777 [0,1,1,0,0,0|2,0,0]=4 2324 B13R1.202 NC(=O)C(=O)Nc1ccccc1F Amb3613983 [0,1,1,0,0,0|2,0,0]=4 2325 B13R1.202 NC(=O)C(=O)Nc1ccccc1I Amb28047939 [0,1,1,0,0,0|2,0,0]=4 2326 B13R1.202 NC(=O)C(=S)Nc1ccccc1N Amb27471763 [0,1,1,0,0,0|2,0,0]=4 2327 B13R1.202 NC(Cc1ccccc1Br)C(=O)O Amb28963434 [0,1,1,0,0,0|0,0,2]=4 2328 B13R1.202 NC(Cc1ccccc1Br)C(=O)O Amb3790942 [0,1,1,0,0,0|0,0,2]=4 2329 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O Amb22723318 [0,1,1,0,0,0|0,0,2]=4 2330 B13R1.202 NC(Cc1ccccc1Cl)C(=O)O Amb9720245 [0,1,1,0,0,0|0,0,2]=4 2331 B13R1.202 NC(Cc1ccccc1F)C(=O)O Amb9725850 [0,1,1,0,0,0|0,0,2]=4 2332 B13R1.202 NC(Cc1ccccc1I)C(=O)O Amb3796905 [0,1,1,0,0,0|0,0,2]=4 2333 B13R1.202 NC(Cc1ccccc1O)C(=O)O Amb4035732 [0,1,1,0,0,0|0,0,2]=4 2334 B13R1.202 N[C@@H](Cc1ccccc1Br)C(=O)O Amb6295856 [0,1,1,0,0,0|0,0,2]=4 2335 B13R1.202 N[C@@H](Cc1ccccc1Cl)C(=O)O Amb2720121 [0,1,1,0,0,0|0,0,2]=4 2336 B13R1.202 N[C@@H](Cc1ccccc1F)C(=O)O Amb6295853 [0,1,1,0,0,0|0,0,2]=4 2337 B13R1.202 N[C@@H](Cc1ccccc1I)C(=O)O Amb22228856 [0,1,1,0,0,0|0,0,2]=4 2338 B13R1.202 N[C@@H](Cc1ccccc1O)C(=O)O Amb23440357 [0,1,1,0,0,0|0,0,2]=4 2339 B13R1.202 N[C@@H](Cc1ccccc1O)C(=O)O Amb8396994 [0,1,1,0,0,0|0,0,2]=4 2340 B13R1.202 N[C@H](Cc1ccccc1Br)C(=O)O Amb8389456 [0,1,1,0,0,0|0,0,2]=4 2341 B13R1.202 N[C@H](Cc1ccccc1Cl)C(=O)O Amb8396997 [0,1,1,0,0,0|0,0,2]=4 2342 B13R1.202 N[C@H](Cc1ccccc1F)C(=O)O Amb33813069 [0,1,1,0,0,0|0,0,2]=4 2343 B13R1.202 N[C@H](Cc1ccccc1F)C(=O)O Amb8389454 [0,1,1,0,0,0|0,0,2]=4 2344 B13R1.202 N[C@H](Cc1ccccc1I)C(=O)O Amb22228855 [0,1,1,0,0,0|0,0,2]=4 2345 B13R1.202 N[C@H](Cc1ccccc1O)C(=O)O Amb8396993 [0,1,1,0,0,0|0,0,2]=4 2346 B13R1.202 N[C@H](Cc1ccccc1S)C(=O)O Amb27468501 [0,1,1,0,0,0|0,0,2]=4 2347 B13R1.202 N\C(=C\c1ccccc1Cl)C(=O)O Amb28456914 [0,1,1,0,0,0|0,0,0]=2 2348 B13R1.202 Nc1ccccc1CC(=S)C(=O)O Amb27415505 [0,1,1,0,0,0|1,0,1]=4 2349 B13R1.202 Nc1ccccc1CC(N)C(=O)O Amb22002697 [0,1,1,0,0,0|0,0,2]=4 2350 B13R1.202 Nc1ccccc1C[C@@H](N)C(=O)O Amb22228579 [0,1,1,0,0,0|0,0,2]=4 2351 B13R1.202 Nc1ccccc1C[C@H](N)C(=O)O Amb22228581 [0,1,1,0,0,0|0,0,2]=4 2352 B13R1.202 O=C(O)C(=O)Cc1ccccc1Br Amb6261503 [0,1,1,0,0,0|1,0,1]=4 2353 B13R1.202 O=C(O)C(=O)Cc1ccccc1Cl Amb1135873 [0,1,1,0,0,0|1,0,1]=4 2354 B13R1.202 O=C(O)C(=O)Cc1ccccc1F Amb6249101 [0,1,1,0,0,0|1,0,1]=4 2355 B13R1.202 O=C(O)C(=O)Cc1ccccc1O Amb26601164 [0,1,1,0,0,0|1,0,1]=4 2356 B13R1.202 O=C(O)C(=O)Nc1ccccc1Br Amb9238892 [0,1,1,0,0,0|1,0,0]=3 2357 B13R1.202 O=C(O)C(=O)Nc1ccccc1Cl Amb9303981 [0,1,1,0,0,0|1,0,0]=3 2358 B13R1.202 O=C(O)C(=O)Nc1ccccc1F Amb9303984 [0,1,1,0,0,0|1,0,0]=3 2359 B13R1.202 O=C(O)C(=O)Nc1ccccc1O Amb18128783 [0,1,1,0,0,0|1,0,0]=3 2360 B13R1.202 O=C(O)C(=O)Nc1ncccc1Br Amb27668639 [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.202 O=C(O)C(=S)Cc1ccccc1Cl Amb26316839 [0,1,1,0,0,0|1,0,1]=4 2362 B13R1.202 O=C(O)C(=S)Cc1ccccc1O Amb28044414 [0,1,1,0,0,0|1,0,1]=4 2363 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Br Amb27415913 [0,1,1,0,0,0|1,0,0]=3 2364 B13R1.202 O=C(O)\C(F)=C\c1ccccc1Cl Amb25256125 [0,1,1,0,0,0|1,0,0]=3 2365 B13R1.202 O=C(O)\C(F)=C\c1ccccc1F Amb27812349 [0,1,1,0,0,0|1,0,0]=3 2366 B13R1.202 O=C(O)\C(S)=C/c1ccccc1Cl Amb2550971 [0,1,1,0,0,0|1,0,0]=3 2367 B13R1.353 N\C(=N/c1ccccc1)S(=O)(=O)O Amb24399284 [0,1,1,0,0,0|2,0,0]=4 2368 B13R1.353 O=C(Nc1ccccc1)P(=O)(O)O Amb27230618 [0,1,1,0,0,0|2,0,0]=4 2369 B13R1.353 O=P(O)(O)C(=S)Nc1ccccc1 Amb27797329 [0,1,1,0,0,0|2,0,0]=4 2370 B13R1.418 C=C\C(=C\c1ccccc1)C(C)=O Amb27486089 [0,1,1,0,0,0|2,0,0]=4 2371 B13R1.418 CC(=O)\C(=C/N)Cc1ccccc1 Amb17777847 [0,1,1,0,0,0|1,0,1]=4 2372 B13R1.418 CC(=O)\C(=C/O)Cc1ccccc1 Amb27260481 [0,1,1,0,0,0|2,0,0]=4 2373 B13R1.418 CC(=O)\C(=C/[O-])Cc1ccccc1 Amb21947890 [0,1,1,0,0,0|2,0,0]=4 2374 B13R1.418 CC(=O)\C(=C/[O-])Cc1ccccc1 Amb21947891 [0,1,1,0,0,0|2,0,0]=4 2375 B13R1.418 CC(=O)\C(=C\N)Sc1ccccc1 Amb26873942 [0,1,1,0,0,0|2,0,0]=4 2376 B13R1.418 CC(=O)\C(=C\c1ccccc1)CCl Amb27252370 [0,1,1,0,0,0|2,0,0]=4 2377 B13R1.418 CCC(Nc1ccccc1)C(=O)O Amb9702181 [0,1,1,0,0,0|0,0,2]=4 2378 B13R1.418 CC[C@@H](Nc1ccccc1)C(=O)O Amb33347517 [0,1,1,0,0,0|0,0,2]=4 2379 B13R1.418 CC[C@H](Nc1ccccc1)C(=O)O Amb33347515 [0,1,1,0,0,0|0,0,2]=4 2380 B13R1.418 CC\C(=C/c1ccccc1)C(=O)O Amb4021410 [0,1,1,0,0,0|1,0,0]=3 2381 B13R1.418 CC\C(=C/c1ccccc1)C(C)=O Amb25285770 [0,1,1,0,0,0|2,0,0]=4 2382 B13R1.418 CC\C(=C/c1ccccn1)C(=O)O Amb5743950 [0,1,1,0,0,0|2,0,0]=4 2383 B13R1.418 CC\C(=C/c1cccnc1)C(=O)O Amb5743951 [0,1,1,0,0,0|2,0,0]=4 2384 B13R1.418 CC\C(=C/c1ccncc1)C(=O)O Amb5743952 [0,1,1,0,0,0|2,0,0]=4 2385 B13R1.418 CC\C(=C\c1cccnc1)C(=O)O Amb28321006 [0,1,1,0,0,0|2,0,0]=4 2386 B13R1.418 CNC(Cc1ccccc1)C(=O)O Amb33983942 [0,1,1,0,0,0|0,0,2]=4 2387 B13R1.418 CNC(Cc1ccccc1)C(=O)O Amb9619791 [0,1,1,0,0,0|0,0,2]=4 2388 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O Amb10604038 [0,1,1,0,0,0|0,0,2]=4 2389 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O Amb22744994 [0,1,1,0,0,0|0,0,2]=4 2390 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O Amb16183857 [0,1,1,0,0,0|0,0,2]=4 2391 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O Amb33801550 [0,1,1,0,0,0|0,0,2]=4 2392 B13R1.418 CO\C(=C/c1ccccc1)C(=O)O Amb1945718 [0,1,1,0,0,0|1,0,0]=3 2393 B13R1.418 CO\C(=C\c1ccccc1)C(=O)O Amb28242324 [0,1,1,0,0,0|1,0,0]=3 2394 B13R1.418 CS\C(=C/c1ccccn1)C(=O)O Amb1761007 [0,1,1,0,0,0|2,0,0]=4 2395 B13R1.418 CS\C(=C/c1cccnc1)C(=O)O Amb1761008 [0,1,1,0,0,0|2,0,0]=4 2396 B13R1.418 CS\C(=C/c1ccncc1)C(=O)O Amb1761006 [0,1,1,0,0,0|2,0,0]=4 2397 B13R1.418 CS\C(=C\c1ccccc1)C(=O)O Amb18130097 [0,1,1,0,0,0|1,0,0]=3 2398 B13R1.418 C\C=C(\Sc1ccccc1)C(N)=O Amb27955834 [0,1,1,0,0,0|2,0,0]=4 2399 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)Cl Amb17143094 [0,1,1,0,0,0|1,0,1]=4 2400 B13R1.418 N#C\C(=C/c1ccccc1)C(=O)O Amb17224284 [0,1,1,0,0,0|0,0,1]=3 2401 B13R1.418 N#C\C(=C/c1ccccc1)C(N)=O Amb2222555 [0,1,1,0,0,0|1,0,1]=4 2402 B13R1.418 N#C\C(=C/c1ccccn1)C(=O)O Amb6245649 [0,1,1,0,0,0|1,0,1]=4 2403 B13R1.418 N#C\C(=C/c1cccnc1)C(=O)O Amb1133348 [0,1,1,0,0,0|1,0,1]=4 2404 B13R1.418 N#C\C(=C/c1ccncc1)C(=O)O Amb1125727 [0,1,1,0,0,0|1,0,1]=4 2405 B13R1.418 N#C\C(=C\c1ccccc1)C(=O)O Amb4015026 [0,1,1,0,0,0|0,0,1]=3 2406 B13R1.418 N#C\C(=C\c1ccccc1)C(N)=O Amb4074010 [0,1,1,0,0,0|1,0,1]=4 2407 B13R1.418 N#C\C(=C\c1cccnc1)C(=O)O Amb10068989 [0,1,1,0,0,0|1,0,1]=4 2408 B13R1.418 N#C\C(=C\c1ccncc1)C(=O)O Amb32416243 [0,1,1,0,0,0|1,0,1]=4 2409 B13R1.418 NC(=O)\C(=C\O)Sc1ccccc1 Amb27630458 [0,1,1,0,0,0|2,0,0]=4 2410 B13R1.418 NCC(Cc1ccccc1)C(=O)O Amb2697356 [0,1,1,0,0,0|0,0,2]=4 2411 B13R1.418 NCC(Cc1ccccc1)C(=O)O Amb33547962 [0,1,1,0,0,0|0,0,2]=4 2412 B13R1.418 NCC(Oc1ccccc1)C(=O)O Amb32651876 [0,1,1,0,0,0|1,0,1]=4 2413 B13R1.418 NCC(Oc1ccccc1)C(=O)O Amb32651877 [0,1,1,0,0,0|1,0,1]=4 2414 B13R1.418 NC[C@@H](Cc1ccccc1)C(=O)O Amb22745974 [0,1,1,0,0,0|0,0,2]=4 2415 B13R1.418 NC[C@@H](Cc1ccccc1)C(=O)O Amb22745975 [0,1,1,0,0,0|0,0,2]=4 2416 B13R1.418 NC[C@@H](Oc1ccccc1)C(=O)O Amb32652164 [0,1,1,0,0,0|1,0,1]=4 2417 B13R1.418 NC[C@@H](Oc1ccccc1)C(=O)O Amb32652167 [0,1,1,0,0,0|1,0,1]=4 2418 B13R1.418 NC[C@H](Cc1ccccc1)C(=O)O Amb33329263 [0,1,1,0,0,0|0,0,2]=4 2419 B13R1.418 NC[C@H](Cc1ccccc1)C(=O)O Amb33457755 [0,1,1,0,0,0|0,0,2]=4 2420 B13R1.418 NC[C@H](Oc1ccccc1)C(=O)O Amb32652288 [0,1,1,0,0,0|1,0,1]=4 2421 B13R1.418 NC[C@H](Oc1ccccc1)C(=O)O Amb32652289 [0,1,1,0,0,0|1,0,1]=4 2422 B13R1.418 NC\C(=C/c1cccnc1)C(=O)O Amb27232796 [0,1,1,0,0,0|1,0,0]=3 2423 B13R1.418 NC\C(=C\c1cccnc1)C(=O)O Amb27477995 [0,1,1,0,0,0|1,0,0]=3 2424 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb32663372 [0,1,1,0,0,0|0,0,2]=4 2425 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb33339164 [0,1,1,0,0,0|0,0,2]=4 2426 B13R1.418 N\N=C(\Cc1ccccc1)C(=O)O Amb27409024 [0,1,1,0,0,0|0,0,1]=3 2427 B13R1.418 O=C(O)C(Cc1ccccc1)NO Amb33482855 [0,1,1,0,0,0|0,0,2]=4 2428 B13R1.418 O=C(O)[C@@H](CS)Nc1ccccc1 Amb27415495 [0,1,1,0,0,0|0,0,2]=4 2429 B13R1.418 O=C(O)[C@H](CO)Nc1ccccc1 Amb28243263 [0,1,1,0,0,0|0,0,2]=4 2430 B13R1.418 O=C(O)\C(=C/O)Nc1ccccc1 Amb27440517 [0,1,1,0,0,0|0,0,0]=2 2431 B13R1.418 O=C(O)\C(=C/c1ccccc1)CO Amb20671516 [0,1,1,0,0,0|1,0,0]=3 2432 B13R1.418 O=C(O)\C(=C\Cl)Cc1ccccc1 Amb27187237 [0,1,1,0,0,0|1,0,0]=3 2433 B13R1.418 O=C(O)\C(Cc1ccccc1)=N/O Amb4035775 [0,1,1,0,0,0|0,0,2]=4 2434 B13R1.418 [C-]#[N+]\C(=C/c1ccccc1)C(=O)O Amb27608648 [0,1,1,0,0,0|0,0,1]=3 2435 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)O Amb840740 [0,1,1,0,0,0|0,0,2]=4 2436 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O Amb28555907 [0,1,1,0,0,0|0,0,2]=4 2437 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O Amb3941655 [0,1,1,0,0,0|0,0,2]=4 2438 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O Amb33482937 [0,1,1,0,0,0|0,0,2]=4 2439 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O Amb8629107 [0,1,1,0,0,0|0,0,2]=4 2440 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O Amb2720582 [0,1,1,0,0,0|0,0,2]=4 2441 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O Amb33482933 [0,1,1,0,0,0|0,0,2]=4 2442 B13R1.90 C#Cc1ccccc1NCC(=O)O Amb32990335 [0,1,1,0,0,0|0,0,2]=4 2443 B13R1.90 C#Cc1ccccc1\C=C\C(=O)O Amb33448966 [0,1,1,0,0,0|1,0,0]=3 2444 B13R1.90 C#Cc1ccccc1\C=C\C(C)=O Amb24690827 [0,1,1,0,0,0|2,0,0]=4 2445 B13R1.90 C#Cc1ccccc1\C=C\C(N)=O Amb27445425 [0,1,1,0,0,0|2,0,0]=4 2446 B13R1.90 C=C(C)\C=C\c1ccccc1NC Amb27467777 [0,1,1,0,0,0|2,0,0]=4 2447 B13R1.90 C=Cc1ccccc1OCC(=O)O Amb17594532 [0,1,1,0,0,0|1,0,1]=4 2448 B13R1.90 C=Cc1ccccc1\C=C\C(=O)O Amb27179308 [0,1,1,0,0,0|1,0,0]=3 2449 B13R1.90 CC(=O)CNc1ccccc1C=O Amb18127853 [0,1,1,0,0,0|1,0,1]=4 2450 B13R1.90 CC(=O)\C=C\c1ccccc1C#N Amb33358578 [0,1,1,0,0,0|1,0,1]=4 2451 B13R1.90 CC(=O)\C=C\c1ccccc1CO Amb25179632 [0,1,1,0,0,0|2,0,0]=4 2452 B13R1.90 CCc1ccccc1NCC(=O)O Amb4026745 [0,1,1,0,0,0|0,0,2]=4 2453 B13R1.90 CCc1ccccc1\C=C\C(=O)O Amb2235537 [0,1,1,0,0,0|1,0,0]=3 2454 B13R1.90 CCc1ccccc1\C=C\C(C)=O Amb33362221 [0,1,1,0,0,0|2,0,0]=4 2455 B13R1.90 CNc1ccccc1CCC(=O)O Amb27409114 [0,1,1,0,0,0|0,0,2]=4 2456 B13R1.90 CNc1ccccc1OCC(=O)O Amb27256911 [0,1,1,0,0,0|1,0,1]=4 2457 B13R1.90 CNc1ncccc1\C=C\C(=O)O Amb24607738 [0,1,1,0,0,0|1,0,0]=3 2458 B13R1.90 COc1ccccc1NCC(=O)O Amb840516 [0,1,1,0,0,0|0,0,2]=4 2459 B13R1.90 COc1ccccc1\C=C/C(N)=O Amb27243884 [0,1,1,0,0,0|2,0,0]=4 2460 B13R1.90 COc1ccccc1\C=C\C(=O)Cl Amb535054 [0,1,1,0,0,0|2,0,0]=4 2461 B13R1.90 COc1ccccc1\C=C\C(=O)O Amb6608742 [0,1,1,0,0,0|1,0,0]=3 2462 B13R1.90 COc1ccccc1\C=C\C(C)=O Amb2682793 [0,1,1,0,0,0|2,0,0]=4 2463 B13R1.90 COc1ccccc1\C=C\C(N)=O Amb3762938 [0,1,1,0,0,0|2,0,0]=4 2464 B13R1.90 COc1cccnc1\C=C\C(=O)O Amb33475375 [0,1,1,0,0,0|2,0,0]=4 2465 B13R1.90 COc1ncccc1\C=C\C(=O)O Amb4560954 [0,1,1,0,0,0|2,0,0]=4 2466 B13R1.90 CSc1ccccc1\C=C\C(=O)O Amb33079789 [0,1,1,0,0,0|1,0,0]=3 2467 B13R1.90 CSc1ccccc1\C=C\C(C)=O Amb32876727 [0,1,1,0,0,0|2,0,0]=4 2468 B13R1.90 N#Cc1ccccc1\C=C/C(=O)O Amb27812405 [0,1,1,0,0,0|0,0,1]=3 2469 B13R1.90 N#Cc1ccccc1\C=C\C(=O)O Amb1676841 [0,1,1,0,0,0|0,0,1]=3 2470 B13R1.90 NCc1ccccc1CCC(=O)O Amb33330920 [0,1,1,0,0,0|0,0,2]=4 2471 B13R1.90 NCc1ccccc1CCC(=O)O Amb33482842 [0,1,1,0,0,0|0,0,2]=4 2472 B13R1.90 NCc1ccccc1\C=C\C(=O)O Amb5722165 [0,1,1,0,0,0|0,0,0]=2 2473 B13R1.90 O=Cc1ccccc1C#CC(=O)O Amb33076826 [0,1,1,0,0,0|1,0,1]=4 2474 B13R1.90 O=Cc1ccccc1CCC(=O)O Amb24090149 [0,1,1,0,0,0|1,0,1]=4 2475 B13R1.90 O=Cc1ccccc1OCC(=O)O Amb2721056 [0,1,1,0,0,0|1,0,1]=4 2476 B13R1.90 O=Cc1ccccc1\C=C\C(=O)O Amb8383888 [0,1,1,0,0,0|1,0,0]=3 2477 B13R1.90 [C-]#[N+]c1ccccc1\C=C\C(C)=O Amb25341927 [0,1,1,0,0,0|1,0,1]=4 2478 B13R1.150 CC(=O)\C=C\c1cccc(Br)c1C Amb33477279 [0,1,1,0,0,0|2,0,0]=4 2479 B13R1.150 CC(=O)\C=C\c1cccc(Br)c1F Amb33387346 [0,1,1,0,0,0|2,0,0]=4 2480 B13R1.150 CC(=O)\C=C\c1cccc(Br)c1O Amb33332588 [0,1,1,0,0,0|2,0,0]=4 2481 B13R1.150 CC(=O)\C=C\c1cccc(C)c1C Amb18065531 [0,1,1,0,0,0|2,0,0]=4 2482 B13R1.150 CC(=O)\C=C\c1cccc(C)c1F Amb33326123 [0,1,1,0,0,0|2,0,0]=4 2483 B13R1.150 CC(=O)\C=C\c1cccc(C)c1O Amb24456564 [0,1,1,0,0,0|2,0,0]=4 2484 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1C Amb18565619 [0,1,1,0,0,0|2,0,0]=4 2485 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1Cl Amb32750265 [0,1,1,0,0,0|2,0,0]=4 2486 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1F Amb33220737 [0,1,1,0,0,0|2,0,0]=4 2487 B13R1.150 CC(=O)\C=C\c1cccc(Cl)c1O Amb33262123 [0,1,1,0,0,0|2,0,0]=4 2488 B13R1.150 CC(=O)\C=C\c1cccc(F)c1Br Amb33386502 [0,1,1,0,0,0|2,0,0]=4 2489 B13R1.150 CC(=O)\C=C\c1cccc(F)c1C Amb33310505 [0,1,1,0,0,0|2,0,0]=4 2490 B13R1.150 CC(=O)\C=C\c1cccc(F)c1F Amb27170993 [0,1,1,0,0,0|2,0,0]=4 2491 B13R1.150 CC(=O)\C=C\c1cccc(F)c1O Amb31293621 [0,1,1,0,0,0|2,0,0]=4 2492 B13R1.150 CC(=O)\C=C\c1cccc(O)c1Br Amb33386877 [0,1,1,0,0,0|2,0,0]=4 2493 B13R1.150 CC(=O)\C=C\c1cccc(O)c1O Amb26563212 [0,1,1,0,0,0|2,0,0]=4 2494 B13R1.150 Cc1c(Br)cccc1\C=C\C(=O)O Amb33242070 [0,1,1,0,0,0|1,0,0]=3 2495 B13R1.150 Cc1c(Cl)cccc1NCC(=O)O Amb4598591 [0,1,1,0,0,0|0,0,2]=4 2496 B13R1.150 Cc1c(Cl)cccc1\C=C\C(=O)O Amb17204359 [0,1,1,0,0,0|1,0,0]=3 2497 B13R1.150 Cc1c(F)cccc1NCC(=O)O Amb18984574 [0,1,1,0,0,0|0,0,2]=4 2498 B13R1.150 Cc1c(F)cccc1\C=C\C(=O)Cl Amb27424114 [0,1,1,0,0,0|2,0,0]=4 2499 B13R1.150 Cc1c(F)cccc1\C=C\C(=O)O Amb22043642 [0,1,1,0,0,0|1,0,0]=3 2500 B13R1.150 Cc1c(N)cccc1\C=C\C(=O)O Amb25238447 [0,1,1,0,0,0|1,0,0]=3 2501 B13R1.150 Cc1c(O)cccc1\C=C\C(=O)O Amb26891006 [0,1,1,0,0,0|1,0,0]=3 2502 B13R1.150 Cc1cccc(CCC(=O)O)c1N Amb27401967 [0,1,1,0,0,0|0,0,2]=4 2503 B13R1.150 Cc1cccc(NCC(=O)O)c1C Amb840530 [0,1,1,0,0,0|0,0,2]=4 2504 B13R1.150 Cc1cccc(NCC(=O)O)c1Cl Amb27401878 [0,1,1,0,0,0|1,0,1]=4 2505 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1Br Amb25938121 [0,1,1,0,0,0|1,0,0]=3 2506 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1C Amb2235538 [0,1,1,0,0,0|1,0,0]=3 2507 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1Cl Amb33052086 [0,1,1,0,0,0|1,0,0]=3 2508 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1F Amb22738948 [0,1,1,0,0,0|1,0,0]=3 2509 B13R1.150 Cc1cccc(\C=C\C(=O)O)c1N Amb26391035 [0,1,1,0,0,0|0,0,0]=2 2510 B13R1.150 Cc1cccc(\C=C\C(N)=O)c1C Amb24493915 [0,1,1,0,0,0|2,0,0]=4 2511 B13R1.150 Cc1ccnc(\C=C\C(=O)O)c1C Amb33470127 [0,1,1,0,0,0|2,0,0]=4 2512 B13R1.150 Cc1cncc(\C=C\C(=O)O)c1C Amb32423925 [0,1,1,0,0,0|2,0,0]=4 2513 B13R1.150 NC(=O)\C=C/c1cccc(F)c1O Amb27251937 [0,1,1,0,0,0|2,0,0]=4 2514 B13R1.150 NC(=O)\C=C\c1cccc(Br)c1O Amb26595126 [0,1,1,0,0,0|2,0,0]=4 2515 B13R1.150 NC(=O)\C=C\c1cccc(Cl)c1Cl Amb8997699 [0,1,1,0,0,0|2,0,0]=4 2516 B13R1.150 NC(=O)\C=C\c1cccc(F)c1F Amb27880872 [0,1,1,0,0,0|2,0,0]=4 2517 B13R1.150 NC(=O)\C=C\c1cccc(O)c1Cl Amb28077083 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.150 NC(=O)\C=C\c1cncc(I)c1N Amb26316881 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.150 Nc1c(Cl)cccc1NCC(=O)O Amb27772598 [0,1,1,0,0,0|1,0,1]=4 2520 B13R1.150 Nc1c(F)cccc1CCC(=O)O Amb27613840 [0,1,1,0,0,0|0,0,2]=4 2521 B13R1.150 Nc1c(F)cccc1\C=C\C(=O)O Amb24406617 [0,1,1,0,0,0|0,0,0]=2 2522 B13R1.150 Nc1c(I)cccc1CCC(=O)O Amb27670140 [0,1,1,0,0,0|0,0,2]=4 2523 B13R1.150 Nc1c(O)cccc1CCC(=O)O Amb27462620 [0,1,1,0,0,0|0,0,2]=4 2524 B13R1.150 Nc1c(S)cccc1CCC(=O)O Amb27615900 [0,1,1,0,0,0|0,0,2]=4 2525 B13R1.150 Nc1cccc(CCC(=O)O)c1N Amb27962544 [0,1,1,0,0,0|0,0,2]=4 2526 B13R1.150 Nc1cccc(\C=C\C(=O)O)c1Cl Amb25233220 [0,1,1,0,0,0|1,0,0]=3 2527 B13R1.150 O=C(Cl)\C=C\c1cccc(Cl)c1F Amb26858910 [0,1,1,0,0,0|2,0,0]=4 2528 B13R1.150 O=C(O)CNc1cccc(Br)c1Cl Amb29865267 [0,1,1,0,0,0|1,0,1]=4 2529 B13R1.150 O=C(O)CNc1cccc(Br)c1F Amb35592888 [0,1,1,0,0,0|1,0,1]=4 2530 B13R1.150 O=C(O)CNc1cccc(Cl)c1Cl Amb4598576 [0,1,1,0,0,0|1,0,1]=4 2531 B13R1.150 O=C(O)CNc1cccc(F)c1Cl Amb29864348 [0,1,1,0,0,0|1,0,1]=4 2532 B13R1.150 O=C(O)\C=C/c1cccc(F)c1F Amb27459952 [0,1,1,0,0,0|1,0,0]=3 2533 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1Cl Amb24603464 [0,1,1,0,0,0|1,0,0]=3 2534 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1F Amb33240463 [0,1,1,0,0,0|1,0,0]=3 2535 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1I Amb26420859 [0,1,1,0,0,0|1,0,0]=3 2536 B13R1.150 O=C(O)\C=C\c1cccc(Br)c1O Amb27201419 [0,1,1,0,0,0|1,0,0]=3 2537 B13R1.150 O=C(O)\C=C\c1cccc(Cl)c1Cl Amb2720061 [0,1,1,0,0,0|1,0,0]=3 2538 B13R1.150 O=C(O)\C=C\c1cccc(Cl)c1F Amb33220582 [0,1,1,0,0,0|1,0,0]=3 2539 B13R1.150 O=C(O)\C=C\c1cccc(F)c1Br Amb33244338 [0,1,1,0,0,0|1,0,0]=3 2540 B13R1.150 O=C(O)\C=C\c1cccc(F)c1Cl Amb33262262 [0,1,1,0,0,0|1,0,0]=3 2541 B13R1.150 O=C(O)\C=C\c1cccc(F)c1F Amb33079177 [0,1,1,0,0,0|1,0,0]=3 2542 B13R1.150 O=C(O)\C=C\c1cccc(F)c1I Amb25938096 [0,1,1,0,0,0|1,0,0]=3 2543 B13R1.150 O=C(O)\C=C\c1cccc(F)c1O Amb32953397 [0,1,1,0,0,0|1,0,0]=3 2544 B13R1.150 O=C(O)\C=C\c1cccc(I)c1Br Amb24077202 [0,1,1,0,0,0|1,0,0]=3 2545 B13R1.150 O=C(O)\C=C\c1cccc(I)c1F Amb26022081 [0,1,1,0,0,0|1,0,0]=3 2546 B13R1.150 O=C(O)\C=C\c1cccc(O)c1Br Amb33451153 [0,1,1,0,0,0|1,0,0]=3 2547 B13R1.150 O=C(O)\C=C\c1cccc(O)c1I Amb26604820 [0,1,1,0,0,0|1,0,0]=3 2548 B13R1.150 O=C(O)\C=C\c1cccc(O)c1O Amb6298171 [0,1,1,0,0,0|1,0,0]=3 2549 B13R1.150 O=C(O)\C=C\c1ccnc(I)c1F Amb25270421 [0,1,1,0,0,0|2,0,0]=4 2550 B13R1.150 O=C(O)\C=C\c1cncc(F)c1I Amb24656464 [0,1,1,0,0,0|2,0,0]=4 2551 B13R1.150 O=C([O-])\C=C\c1cccc(F)c1F Amb33513185 [0,1,1,0,0,0|1,0,1]=4 2552 B13R1.157 Nc1ccccc1\C=C\S(N)(=O)=O Amb26569397 [0,1,1,0,0,0|1,0,1]=4 2553 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1C Amb18071291 [0,1,1,0,0,0|2,0,0]=4 2554 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1Cl Amb28399925 [0,1,1,0,0,0|2,0,0]=4 2555 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1F Amb27813947 [0,1,1,0,0,0|2,0,0]=4 2556 B13R1.164 CC(=O)\C=C\c1ccc(Br)cc1O Amb33389678 [0,1,1,0,0,0|2,0,0]=4 2557 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1Br Amb18071289 [0,1,1,0,0,0|2,0,0]=4 2558 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1C Amb18065528 [0,1,1,0,0,0|2,0,0]=4 2559 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1Cl Amb30013093 [0,1,1,0,0,0|2,0,0]=4 2560 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1F Amb33324280 [0,1,1,0,0,0|2,0,0]=4 2561 B13R1.164 CC(=O)\C=C\c1ccc(C)cc1O Amb33080460 [0,1,1,0,0,0|2,0,0]=4 2562 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1Br Amb33452298 [0,1,1,0,0,0|2,0,0]=4 2563 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1C Amb18066349 [0,1,1,0,0,0|2,0,0]=4 2564 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1Cl Amb17679061 [0,1,1,0,0,0|2,0,0]=4 2565 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1F Amb33262253 [0,1,1,0,0,0|2,0,0]=4 2566 B13R1.164 CC(=O)\C=C\c1ccc(Cl)cc1O Amb33406836 [0,1,1,0,0,0|2,0,0]=4 2567 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1Br Amb27654559 [0,1,1,0,0,0|2,0,0]=4 2568 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1C Amb33474680 [0,1,1,0,0,0|2,0,0]=4 2569 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1Cl Amb33390333 [0,1,1,0,0,0|2,0,0]=4 2570 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1F Amb18066049 [0,1,1,0,0,0|2,0,0]=4 2571 B13R1.164 CC(=O)\C=C\c1ccc(F)cc1O Amb25961854 [0,1,1,0,0,0|2,0,0]=4 2572 B13R1.164 CC(=O)\C=C\c1ccc(N)cc1C Amb26022429 [0,1,1,0,0,0|2,0,0]=4 2573 B13R1.164 CC(=O)\C=C\c1ccc(N)cc1Cl Amb24554491 [0,1,1,0,0,0|2,0,0]=4 2574 B13R1.164 CC(=O)\C=C\c1ccc(O)cc1Cl Amb33221560 [0,1,1,0,0,0|2,0,0]=4 2575 B13R1.164 CC(=O)\C=C\c1ccc(O)cc1F Amb35688477 [0,1,1,0,0,0|2,0,0]=4 2576 B13R1.164 CC(=O)\C=C\c1ccc(O)cc1O Amb33269274 [0,1,1,0,0,0|2,0,0]=4 2577 B13R1.164 Cc1cc(Br)ccc1NCC(=O)O Amb4598611 [0,1,1,0,0,0|0,0,2]=4 2578 B13R1.164 Cc1cc(Br)ccc1\C=C\C(=O)O Amb17204662 [0,1,1,0,0,0|1,0,0]=3 2579 B13R1.164 Cc1cc(C)c(\C=C\C(=O)O)cn1 Amb32423758 [0,1,1,0,0,0|2,0,0]=4 2580 B13R1.164 Cc1cc(Cl)ccc1NCC(=O)O Amb4598583 [0,1,1,0,0,0|0,0,2]=4 2581 B13R1.164 Cc1cc(Cl)ccc1\C=C/C(N)=O Amb27489571 [0,1,1,0,0,0|2,0,0]=4 2582 B13R1.164 Cc1cc(Cl)ccc1\C=C\C(=O)O Amb33406707 [0,1,1,0,0,0|1,0,0]=3 2583 B13R1.164 Cc1cc(F)ccc1\C=C/C(N)=O Amb27468619 [0,1,1,0,0,0|2,0,0]=4 2584 B13R1.164 Cc1cc(F)ccc1\C=C\C(=O)O Amb32953723 [0,1,1,0,0,0|1,0,0]=3 2585 B13R1.164 Cc1cc(I)ccc1\C=C\C(=O)O Amb27461929 [0,1,1,0,0,0|1,0,0]=3 2586 B13R1.164 Cc1cc(N)ccc1NCC(=O)O Amb18987718 [0,1,1,0,0,0|0,0,2]=4 2587 B13R1.164 Cc1cc(N)ccc1\C=C\C(=O)O Amb25060621 [0,1,1,0,0,0|1,0,0]=3 2588 B13R1.164 Cc1cc(O)ccc1\C=C\C(=O)O Amb25053476 [0,1,1,0,0,0|1,0,0]=3 2589 B13R1.164 Cc1ccc(CCC(=O)O)c(N)c1 Amb25721914 [0,1,1,0,0,0|0,0,2]=4 2590 B13R1.164 Cc1ccc(NCC(=O)O)c(Br)c1 Amb840539 [0,1,1,0,0,0|1,0,1]=4 2591 B13R1.164 Cc1ccc(NCC(=O)O)c(C)c1 Amb840531 [0,1,1,0,0,0|0,0,2]=4 2592 B13R1.164 Cc1ccc(NCC(=O)O)c(Cl)c1 Amb7780740 [0,1,1,0,0,0|1,0,1]=4 2593 B13R1.164 Cc1ccc(NCC(=O)O)c(O)c1 Amb33621498 [0,1,1,0,0,0|1,0,1]=4 2594 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(Br)c1 Amb1211978 [0,1,1,0,0,0|1,0,0]=3 2595 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(C)c1 Amb471122 [0,1,1,0,0,0|1,0,0]=3 2596 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(C)n1 Amb18216974 [0,1,1,0,0,0|2,0,0]=4 2597 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(Cl)c1 Amb33220559 [0,1,1,0,0,0|1,0,0]=3 2598 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(Cl)n1 Amb33259870 [0,1,1,0,0,0|2,0,0]=4 2599 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(F)c1 Amb32954653 [0,1,1,0,0,0|1,0,0]=3 2600 B13R1.164 Cc1ccc(\C=C\C(=O)O)c(O)c1 Amb24386047 [0,1,1,0,0,0|1,0,0]=3 2601 B13R1.164 Cc1ccc(\C=C\C(N)=O)c(O)c1 Amb27468234 [0,1,1,0,0,0|2,0,0]=4 2602 B13R1.164 Cc1ccc(\C=C\[N+](=O)[O-])c(N)c1 Amb27191798 [0,1,1,0,0,0|1,0,1]=4 2603 B13R1.164 Cc1cnc(\C=C\C(=O)O)c(C)c1 Amb24726558 [0,1,1,0,0,0|2,0,0]=4 2604 B13R1.164 Cc1nc(N)ccc1\C=C\C(=O)O Amb24729295 [0,1,1,0,0,0|2,0,0]=4 2605 B13R1.164 NC(=O)\C=C/c1ccc(O)cc1Cl Amb28046910 [0,1,1,0,0,0|2,0,0]=4 2606 B13R1.164 NC(=O)\C=C\c1ccc(Br)cc1F Amb27608566 [0,1,1,0,0,0|2,0,0]=4 2607 B13R1.164 NC(=O)\C=C\c1ccc(Br)cc1O Amb27800284 [0,1,1,0,0,0|2,0,0]=4 2608 B13R1.164 NC(=O)\C=C\c1ccc(Cl)cc1Cl Amb8858369 [0,1,1,0,0,0|2,0,0]=4 2609 B13R1.164 NC(=O)\C=C\c1ccc(F)cc1F Amb24616436 [0,1,1,0,0,0|2,0,0]=4 2610 B13R1.164 NC1=NC(=O)NC=C1\C=C\C(=O)O Amb27195425 [0,1,1,0,0,0|2,0,0]=4 2611 B13R1.164 Nc1cc(Br)ccc1C#CC(=O)O Amb32990006 [0,1,1,0,0,0|0,0,2]=4 2612 B13R1.164 Nc1cc(Br)ccc1CCC(=O)O Amb27867442 [0,1,1,0,0,0|0,0,2]=4 2613 B13R1.164 Nc1cc(Br)ccc1\C=C\C(=O)O Amb10068738 [0,1,1,0,0,0|0,0,0]=2 2614 B13R1.164 Nc1cc(Br)ccc1\C=C\[N+](=O)[O-] Amb26993764 [0,1,1,0,0,0|1,0,1]=4 2615 B13R1.164 Nc1cc(Cl)ccc1C#CC(=O)O Amb32990002 [0,1,1,0,0,0|0,0,2]=4 2616 B13R1.164 Nc1cc(Cl)ccc1\C=C\[N+](=O)[O-] Amb25213925 [0,1,1,0,0,0|1,0,1]=4 2617 B13R1.164 Nc1cc(F)ccc1CCC(=O)O Amb26327970 [0,1,1,0,0,0|0,0,2]=4 2618 B13R1.164 Nc1cc(F)ccc1NCC(=O)O Amb18987714 [0,1,1,0,0,0|1,0,1]=4 2619 B13R1.164 Nc1cc(I)ccc1\C=C\C(=O)O Amb26391075 [0,1,1,0,0,0|0,0,0]=2 2620 B13R1.164 Nc1ccc(CCC(=O)O)c(N)c1 Amb25674560 [0,1,1,0,0,0|0,0,2]=4 2621 B13R1.164 Nc1ccc(NCC(=O)O)c(Cl)c1 Amb18990529 [0,1,1,0,0,0|1,0,1]=4 2622 B13R1.164 Nc1ccc(NCC(=O)O)c(I)c1 Amb27809793 [0,1,1,0,0,0|1,0,1]=4 2623 B13R1.164 Nc1ccc(\C=C\C(=O)O)c(Br)c1 Amb25940669 [0,1,1,0,0,0|1,0,0]=3 2624 B13R1.164 Nc1ccc(\C=C\C(=O)O)c(Cl)c1 Amb27865710 [0,1,1,0,0,0|1,0,0]=3 2625 B13R1.164 Nc1ccc(\C=C\C(=O)O)c(I)c1 Amb26391078 [0,1,1,0,0,0|1,0,0]=3 2626 B13R1.164 O=C(Cl)\C=C/c1ccc(Cl)cc1F Amb27845103 [0,1,1,0,0,0|2,0,0]=4 2627 B13R1.164 O=C(Cl)\C=C\c1ccc(Br)cc1F Amb2685237 [0,1,1,0,0,0|2,0,0]=4 2628 B13R1.164 O=C(Cl)\C=C\c1ccc(Cl)cc1Cl Amb16186542 [0,1,1,0,0,0|2,0,0]=4 2629 B13R1.164 O=C(Cl)\C=C\c1ccc(Cl)cc1F Amb28401630 [0,1,1,0,0,0|2,0,0]=4 2630 B13R1.164 O=C(Cl)\C=C\c1ccc(F)cc1F Amb24740151 [0,1,1,0,0,0|2,0,0]=4 2631 B13R1.164 O=C(O)CNc1ccc(Cl)cc1Cl Amb4598573 [0,1,1,0,0,0|1,0,1]=4 2632 B13R1.164 O=C(O)CNc1ccc(F)cc1F Amb3903898 [0,1,1,0,0,0|1,0,1]=4 2633 B13R1.164 O=C(O)CNc1ccc(I)cc1F Amb35736206 [0,1,1,0,0,0|1,0,1]=4 2634 B13R1.164 O=C(O)\C=C/c1ccc(Br)cc1F Amb9826785 [0,1,1,0,0,0|1,0,0]=3 2635 B13R1.164 O=C(O)\C=C/c1ccc(F)cc1Br Amb10841267 [0,1,1,0,0,0|1,0,0]=3 2636 B13R1.164 O=C(O)\C=C/c1ccc(F)cc1F Amb27439370 [0,1,1,0,0,0|1,0,0]=3 2637 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1Br Amb24518497 [0,1,1,0,0,0|1,0,0]=3 2638 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1Cl Amb22233585 [0,1,1,0,0,0|1,0,0]=3 2639 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1F Amb2685212 [0,1,1,0,0,0|1,0,0]=3 2640 B13R1.164 O=C(O)\C=C\c1ccc(Br)cc1O Amb33451427 [0,1,1,0,0,0|1,0,0]=3 2641 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1Br Amb24697213 [0,1,1,0,0,0|1,0,0]=3 2642 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1Cl Amb24061479 [0,1,1,0,0,0|1,0,0]=3 2643 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1Cl Amb33719396 [0,1,1,0,0,0|1,0,0]=3 2644 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1F Amb8515098 [0,1,1,0,0,0|1,0,0]=3 2645 B13R1.164 O=C(O)\C=C\c1ccc(Cl)cc1O Amb33406382 [0,1,1,0,0,0|1,0,0]=3 2646 B13R1.164 O=C(O)\C=C\c1ccc(Cl)nc1Cl Amb33051991 [0,1,1,0,0,0|2,0,0]=4 2647 B13R1.164 O=C(O)\C=C\c1ccc(F)cc1Br Amb33241214 [0,1,1,0,0,0|1,0,0]=3 2648 B13R1.164 O=C(O)\C=C\c1ccc(F)cc1Cl Amb8515210 [0,1,1,0,0,0|1,0,0]=3 2649 B13R1.164 O=C(O)\C=C\c1ccc(F)cc1F Amb24060995 [0,1,1,0,0,0|1,0,0]=3 2650 B13R1.164 O=C(O)\C=C\c1ccc(I)cc1Br Amb27778877 [0,1,1,0,0,0|1,0,0]=3 2651 B13R1.164 O=C(O)\C=C\c1ccc(I)cc1F Amb25246682 [0,1,1,0,0,0|1,0,0]=3 2652 B13R1.164 O=C(O)\C=C\c1ccc(O)cc1Br Amb25766604 [0,1,1,0,0,0|1,0,0]=3 2653 B13R1.164 O=C(O)\C=C\c1ccc(O)cc1Cl Amb2697790 [0,1,1,0,0,0|1,0,0]=3 2654 B13R1.164 O=C(O)\C=C\c1ccc(O)cc1F Amb33449693 [0,1,1,0,0,0|1,0,0]=3 2655 B13R1.164 O=C(O)\C=C\c1cnc(Cl)cc1Cl Amb33256888 [0,1,1,0,0,0|2,0,0]=4 2656 B13R1.164 O=C(O)\C=C\c1ncc(Br)cc1Br Amb27764367 [0,1,1,0,0,0|2,0,0]=4 2657 B13R1.201 CC(=O)\C=C(\C)c1ccccc1Cl Amb28121630 [0,1,1,0,0,0|2,0,0]=4 2658 B13R1.201 CC(=O)\C=C(\C)c1ccccc1F Amb27659613 [0,1,1,0,0,0|2,0,0]=4 2659 B13R1.201 CC(CC(=O)O)c1ccccc1N Amb27398428 [0,1,1,0,0,0|0,0,2]=4 2660 B13R1.201 CN(CC(=O)O)c1ccccc1Br Amb17349670 [0,1,1,0,0,0|1,0,1]=4 2661 B13R1.201 CN(CC(=O)O)c1ccccc1Cl Amb17337478 [0,1,1,0,0,0|1,0,1]=4 2662 B13R1.201 CN(CC(=O)O)c1ccccc1F Amb17335597 [0,1,1,0,0,0|1,0,1]=4 2663 B13R1.201 CN(CC(=O)O)c1ccccc1I Amb27828675 [0,1,1,0,0,0|1,0,1]=4 2664 B13R1.201 CN(CC(=O)O)c1ccccc1N Amb18297284 [0,1,1,0,0,0|1,0,1]=4 2665 B13R1.201 C\C(=C/C(=O)O)c1ccccc1Br Amb31103380 [0,1,1,0,0,0|1,0,0]=3 2666 B13R1.201 C\C(=C/C(=O)O)c1ccccc1C Amb4009783 [0,1,1,0,0,0|1,0,0]=3 2667 B13R1.201 C\C(=C/C(=O)O)c1ccccc1Cl Amb24669047 [0,1,1,0,0,0|1,0,0]=3 2668 B13R1.201 C\C(=C/C(=O)O)c1ccccc1F Amb10610216 [0,1,1,0,0,0|1,0,0]=3 2669 B13R1.201 C\C(=C\C(=O)O)c1ccccc1C Amb27759236 [0,1,1,0,0,0|1,0,0]=3 2670 B13R1.201 C\C(=C\C(=O)O)c1ccccc1Cl Amb28071795 [0,1,1,0,0,0|1,0,0]=3 2671 B13R1.201 C\C(=C\C(N)=O)c1ccccc1Br Amb27586427 [0,1,1,0,0,0|2,0,0]=4 2672 B13R1.201 C\C(=C\C(N)=O)c1ccccc1F Amb28283682 [0,1,1,0,0,0|2,0,0]=4 2673 B13R1.201 C\C(O)=C\C(=O)c1ccccc1O Amb26437654 [0,1,1,0,0,0|2,0,0]=4 2674 B13R1.201 Cc1ccccc1N(C)CC(=O)O Amb17335308 [0,1,1,0,0,0|0,0,2]=4 2675 B13R1.201 Cc1ccccc1\C(Cl)=C\C(=O)O Amb28325126 [0,1,1,0,0,0|1,0,0]=3 2676 B13R1.201 Nc1ccccc1C(F)CC(=O)O Amb27813438 [0,1,1,0,0,0|0,0,2]=4 2677 B13R1.201 Nc1ccccc1C(N)CC(=O)O Amb24747456 [0,1,1,0,0,0|0,0,2]=4 2678 B13R1.201 Nc1ccccc1[C@@H](N)CC(=O)O Amb27655487 [0,1,1,0,0,0|0,0,2]=4 2679 B13R1.201 O=C(O)\C=C(\Cl)c1ccccc1Cl Amb27608930 [0,1,1,0,0,0|1,0,0]=3 2680 B13R1.528 C=CC(=O)\C=C\c1ccccc1Br Amb33503232 [0,1,1,0,0,0|2,0,0]=4 2681 B13R1.528 C=CC(=O)\C=C\c1ccccc1C Amb33503233 [0,1,1,0,0,0|2,0,0]=4 2682 B13R1.528 C=CC(=O)\C=C\c1ccccc1Cl Amb33503120 [0,1,1,0,0,0|2,0,0]=4 2683 B13R1.528 C=CC(=O)\C=C\c1ccccc1F Amb33503119 [0,1,1,0,0,0|2,0,0]=4 2684 B13R1.528 CNC(=O)\C=C\c1ccccc1Cl Amb3701970 [0,1,1,0,0,0|2,0,0]=4 2685 B13R1.528 CNC(=O)\C=C\c1ccccc1F Amb28249907 [0,1,1,0,0,0|2,0,0]=4 2686 B13R1.528 COC(=O)C#Cc1ccccc1N Amb27179206 [0,1,1,0,0,0|0,0,2]=4 2687 B13R1.528 COC(=O)CCc1ccccc1N Amb33803798 [0,1,1,0,0,0|0,0,2]=4 2688 B13R1.528 COC(=O)CNc1ccccc1C Amb33527060 [0,1,1,0,0,0|0,0,2]=4 2689 B13R1.528 COC(=O)CNc1ccccc1Cl Amb6712398 [0,1,1,0,0,0|1,0,1]=4 2690 B13R1.528 COC(=O)CNc1ccccc1F Amb6712588 [0,1,1,0,0,0|1,0,1]=4 2691 B13R1.528 COC(=O)CNc1ccccc1N Amb7767918 [0,1,1,0,0,0|1,0,1]=4 2692 B13R1.528 COC(=O)\C=C\c1ccccc1Br Amb34002036 [0,1,1,0,0,0|1,0,0]=3 2693 B13R1.528 COC(=O)\C=C\c1ccccc1C Amb26325862 [0,1,1,0,0,0|1,0,0]=3 2694 B13R1.528 COC(=O)\C=C\c1ccccc1Cl Amb10808396 [0,1,1,0,0,0|1,0,0]=3 2695 B13R1.528 COC(=O)\C=C\c1ccccc1F Amb2432760 [0,1,1,0,0,0|1,0,0]=3 2696 B13R1.528 COC(=O)\C=C\c1ccccc1N Amb18127873 [0,1,1,0,0,0|0,0,0]=2 2697 B13R1.528 COC(=O)\C=C\c1cccnc1Br Amb22584147 [0,1,1,0,0,0|2,0,0]=4 2698 B13R1.528 COC(=O)\C=C\c1cccnc1N Amb4560893 [0,1,1,0,0,0|1,0,0]=3 2699 B13R1.528 COC(=O)\C=C\c1ccncc1F Amb24623916 [0,1,1,0,0,0|2,0,0]=4 2700 B13R1.528 COC(=O)\C=C\c1cnccc1Cl Amb13890041 [0,1,1,0,0,0|2,0,0]=4 2701 B13R1.528 COC(=O)\C=C\c1cnccc1N Amb4560910 [0,1,1,0,0,0|1,0,0]=3 2702 B13R1.528 COC(=O)\C=C\c1ncccc1C Amb28185662 [0,1,1,0,0,0|2,0,0]=4 2703 B13R1.528 COC(=O)\C=C\c1ncccc1F Amb33469154 [0,1,1,0,0,0|2,0,0]=4 2704 B13R1.528 C\C(C=O)=C\Nc1ccccc1N Amb27751221 [0,1,1,0,0,0|2,0,0]=4 2705 B13R1.528 Cc1ccccc1N\C=C(/O)C=O Amb28129816 [0,1,1,0,0,0|0,0,1]=3 2706 B13R1.528 Cc1ccccc1\C=C\C(=N)NO Amb24656007 [0,1,1,0,0,0|2,0,0]=4 2707 B13R1.528 N=C(\C=C\c1ccccc1F)NO Amb27204805 [0,1,1,0,0,0|2,0,0]=4 2708 B13R1.528 NC(\C=C\c1ccccc1Cl)=N\O Amb28385568 [0,1,1,0,0,0|2,0,0]=4 2709 B13R1.528 NNC(=O)\C=C\c1ccccc1Br Amb8998118 [0,1,1,0,0,0|2,0,0]=4 2710 B13R1.528 Nc1ccccc1CCC(=O)NO Amb28364592 [0,1,1,0,0,0|0,0,2]=4 2711 B13R1.528 O=C(CNc1ccccc1Cl)NO Amb27437079 [0,1,1,0,0,0|1,0,1]=4 2712 B13R1.528 O=C(\C=C\c1ccccc1Cl)NO Amb28369653 [0,1,1,0,0,0|1,0,0]=3 2713 B13R1.528 O=C\C(O)=C/Nc1ccccc1O Amb27185973 [0,1,1,0,0,0|1,0,0]=3 2714 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1C Amb33386623 [0,1,1,0,0,0|2,0,0]=4 2715 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1Cl Amb33430218 [0,1,1,0,0,0|2,0,0]=4 2716 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1F Amb33451080 [0,1,1,0,0,0|2,0,0]=4 2717 B13R1.893 CC(=O)\C=C\c1cc(Br)ccc1O Amb2561927 [0,1,1,0,0,0|2,0,0]=4 2718 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1Br Amb33477884 [0,1,1,0,0,0|2,0,0]=4 2719 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1C Amb18065529 [0,1,1,0,0,0|2,0,0]=4 2720 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1Cl Amb33413697 [0,1,1,0,0,0|2,0,0]=4 2721 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1F Amb33429744 [0,1,1,0,0,0|2,0,0]=4 2722 B13R1.893 CC(=O)\C=C\c1cc(C)ccc1O Amb27861235 [0,1,1,0,0,0|2,0,0]=4 2723 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1Br Amb33451524 [0,1,1,0,0,0|2,0,0]=4 2724 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1C Amb18066348 [0,1,1,0,0,0|2,0,0]=4 2725 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1Cl Amb18066852 [0,1,1,0,0,0|2,0,0]=4 2726 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1F Amb27198639 [0,1,1,0,0,0|2,0,0]=4 2727 B13R1.893 CC(=O)\C=C\c1cc(Cl)ccc1O Amb32750503 [0,1,1,0,0,0|2,0,0]=4 2728 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1Br Amb33242914 [0,1,1,0,0,0|2,0,0]=4 2729 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1C Amb33080199 [0,1,1,0,0,0|2,0,0]=4 2730 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1Cl Amb33058826 [0,1,1,0,0,0|2,0,0]=4 2731 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1F Amb33474598 [0,1,1,0,0,0|2,0,0]=4 2732 B13R1.893 CC(=O)\C=C\c1cc(F)ccc1O Amb33448873 [0,1,1,0,0,0|2,0,0]=4 2733 B13R1.893 CC(=O)\C=C\c1cc(N)ccc1C Amb27406922 [0,1,1,0,0,0|2,0,0]=4 2734 B13R1.893 CC(=O)\C=C\c1cc(N)ccc1Cl Amb25854989 [0,1,1,0,0,0|2,0,0]=4 2735 B13R1.893 CC(=O)\C=C\c1cc(O)ccc1Br Amb33387321 [0,1,1,0,0,0|2,0,0]=4 2736 B13R1.893 CC(=O)\C=C\c1cc(O)ccc1O Amb32953374 [0,1,1,0,0,0|2,0,0]=4 2737 B13R1.893 Cc1ccc(Br)c(\C=C\C(=O)O)c1 Amb33241649 [0,1,1,0,0,0|1,0,0]=3 2738 B13R1.893 Cc1ccc(Br)cc1NCC(=O)O Amb9672511 [0,1,1,0,0,0|0,0,2]=4 2739 B13R1.893 Cc1ccc(Br)cc1\C=C\C(=O)O Amb33242854 [0,1,1,0,0,0|1,0,0]=3 2740 B13R1.893 Cc1ccc(C)c(NCC(=O)O)c1 Amb840532 [0,1,1,0,0,0|0,0,2]=4 2741 B13R1.893 Cc1ccc(C)c(\C=C\C(=O)O)c1 Amb32954527 [0,1,1,0,0,0|1,0,0]=3 2742 B13R1.893 Cc1ccc(Cl)c(\C=C\C(=O)O)c1 Amb33262269 [0,1,1,0,0,0|1,0,0]=3 2743 B13R1.893 Cc1ccc(Cl)cc1NCC(=O)O Amb840540 [0,1,1,0,0,0|0,0,2]=4 2744 B13R1.893 Cc1ccc(Cl)cc1\C=C\C(=O)O Amb17204360 [0,1,1,0,0,0|1,0,0]=3 2745 B13R1.893 Cc1ccc(F)c(NCC(=O)O)c1 Amb7781089 [0,1,1,0,0,0|1,0,1]=4 2746 B13R1.893 Cc1ccc(F)c(\C=C\C(=O)O)c1 Amb18954881 [0,1,1,0,0,0|1,0,0]=3 2747 B13R1.893 Cc1ccc(F)cc1\C=C/C(N)=O Amb27170472 [0,1,1,0,0,0|2,0,0]=4 2748 B13R1.893 Cc1ccc(F)cc1\C=C\C(=O)O Amb18283057 [0,1,1,0,0,0|1,0,0]=3 2749 B13R1.893 Cc1ccc(I)c(\C=C\C(=O)O)c1 Amb28077222 [0,1,1,0,0,0|1,0,0]=3 2750 B13R1.893 Cc1ccc(I)cc1NCC(=O)O Amb27644286 [0,1,1,0,0,0|0,0,2]=4 2751 B13R1.893 Cc1ccc(N)cc1NCC(=O)O Amb18299625 [0,1,1,0,0,0|0,0,2]=4 2752 B13R1.893 Cc1ccc(N)cc1\C=C\C(=O)O Amb24711877 [0,1,1,0,0,0|1,0,0]=3 2753 B13R1.893 Cc1ccc(O)c(NCC(=O)O)c1 Amb8471668 [0,1,1,0,0,0|1,0,1]=4 2754 B13R1.893 Cc1ccc(O)c(\C=C\C(=O)O)c1 Amb33449499 [0,1,1,0,0,0|1,0,0]=3 2755 B13R1.893 Cc1ccc(S)c(\C=C\C(=O)O)c1 Amb18130086 [0,1,1,0,0,0|1,0,0]=3 2756 B13R1.893 NC(=O)\C=C\c1cc(Br)ccc1Br Amb25707427 [0,1,1,0,0,0|2,0,0]=4 2757 B13R1.893 NC(=O)\C=C\c1cc(Br)ccc1F Amb8997700 [0,1,1,0,0,0|2,0,0]=4 2758 B13R1.893 NC(=O)\C=C\c1cc(Cl)ccc1Br Amb25764575 [0,1,1,0,0,0|2,0,0]=4 2759 B13R1.893 NC(=O)\C=C\c1cc(F)ccc1Br Amb27751210 [0,1,1,0,0,0|2,0,0]=4 2760 B13R1.893 NC(=O)\C=C\c1cc(O)ccc1Br Amb27224049 [0,1,1,0,0,0|2,0,0]=4 2761 B13R1.893 Nc1ccc(Br)c(\C=C\C(=O)O)c1 Amb25961816 [0,1,1,0,0,0|1,0,0]=3 2762 B13R1.893 Nc1ccc(Br)cc1SCC(=O)O Amb27416064 [0,1,1,0,0,0|1,0,1]=4 2763 B13R1.893 Nc1ccc(Br)cc1\C=C\[N+](=O)[O-] Amb26881419 [0,1,1,0,0,0|1,0,1]=4 2764 B13R1.893 Nc1ccc(Cl)c(\C=C\C(=O)O)c1 Amb26390972 [0,1,1,0,0,0|1,0,0]=3 2765 B13R1.893 Nc1ccc(Cl)cc1C#CC(=O)O Amb32989964 [0,1,1,0,0,0|0,0,2]=4 2766 B13R1.893 Nc1ccc(Cl)cc1SCC(=O)O Amb10817978 [0,1,1,0,0,0|1,0,1]=4 2767 B13R1.893 Nc1ccc(Cl)cc1\C=C\[N+](=O)[O-] Amb27233879 [0,1,1,0,0,0|1,0,1]=4 2768 B13R1.893 Nc1ccc(F)cc1C#CC(=O)O Amb32989984 [0,1,1,0,0,0|0,0,2]=4 2769 B13R1.893 Nc1ccc(F)cc1OCC(=O)O Amb18290780 [0,1,1,0,0,0|1,0,1]=4 2770 B13R1.893 Nc1ccc(F)cc1SCC(=O)O Amb28397600 [0,1,1,0,0,0|1,0,1]=4 2771 B13R1.893 Nc1ccc(I)c(\C=C\C(=O)O)c1 Amb27180893 [0,1,1,0,0,0|1,0,0]=3 2772 B13R1.893 Nc1ccc(I)cc1OCC(=O)O Amb28369725 [0,1,1,0,0,0|1,0,1]=4 2773 B13R1.893 Nc1ccc(N)c(CCC(=O)O)c1 Amb27462504 [0,1,1,0,0,0|0,0,2]=4 2774 B13R1.893 Nc1ccc(O)cc1\C=C\C(=O)O Amb24443081 [0,1,1,0,0,0|0,0,0]=2 2775 B13R1.893 Nc1ncc(Br)cc1\C=C\C(=O)O Amb24061495 [0,1,1,0,0,0|1,0,0]=3 2776 B13R1.893 O=C(Cl)\C=C\c1cc(F)ccc1Br Amb26441330 [0,1,1,0,0,0|2,0,0]=4 2777 B13R1.893 O=C(Cl)\C=C\c1cc(F)ccc1F Amb25290510 [0,1,1,0,0,0|2,0,0]=4 2778 B13R1.893 O=C(O)CNc1cc(Br)ccc1Cl Amb27869142 [0,1,1,0,0,0|1,0,1]=4 2779 B13R1.893 O=C(O)CNc1cc(Cl)ccc1Cl Amb4598562 [0,1,1,0,0,0|1,0,1]=4 2780 B13R1.893 O=C(O)CNc1cc(Cl)ccc1I Amb35706238 [0,1,1,0,0,0|1,0,1]=4 2781 B13R1.893 O=C(O)CNc1cc(F)ccc1Br Amb28041920 [0,1,1,0,0,0|1,0,1]=4 2782 B13R1.893 O=C(O)CNc1cc(F)ccc1F Amb7764660 [0,1,1,0,0,0|1,0,1]=4 2783 B13R1.893 O=C(O)CNc1cc(I)ccc1Cl Amb27245548 [0,1,1,0,0,0|1,0,1]=4 2784 B13R1.893 O=C(O)\C=C/c1cc(Cl)ccc1O Amb28243522 [0,1,1,0,0,0|1,0,0]=3 2785 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1Br Amb26455510 [0,1,1,0,0,0|1,0,0]=3 2786 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1Cl Amb24088755 [0,1,1,0,0,0|1,0,0]=3 2787 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1F Amb2720585 [0,1,1,0,0,0|1,0,0]=3 2788 B13R1.893 O=C(O)\C=C\c1cc(Br)ccc1O Amb2372280 [0,1,1,0,0,0|1,0,0]=3 2789 B13R1.893 O=C(O)\C=C\c1cc(Br)cnc1Cl Amb33007490 [0,1,1,0,0,0|2,0,0]=4 2790 B13R1.893 O=C(O)\C=C\c1cc(Br)cnc1F Amb33469133 [0,1,1,0,0,0|2,0,0]=4 2791 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1Br Amb24534032 [0,1,1,0,0,0|1,0,0]=3 2792 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1Cl Amb73289 [0,1,1,0,0,0|1,0,0]=3 2793 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1F Amb18894705 [0,1,1,0,0,0|1,0,0]=3 2794 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1I Amb25238389 [0,1,1,0,0,0|1,0,0]=3 2795 B13R1.893 O=C(O)\C=C\c1cc(Cl)ccc1O Amb1110867 [0,1,1,0,0,0|1,0,0]=3 2796 B13R1.893 O=C(O)\C=C\c1cc(Cl)cnc1F Amb33257201 [0,1,1,0,0,0|2,0,0]=4 2797 B13R1.893 O=C(O)\C=C\c1cc(Cl)ncc1Br Amb33450935 [0,1,1,0,0,0|2,0,0]=4 2798 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1Br Amb33242088 [0,1,1,0,0,0|1,0,0]=3 2799 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1Cl Amb24061211 [0,1,1,0,0,0|1,0,0]=3 2800 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1F Amb34005362 [0,1,1,0,0,0|1,0,0]=3 2801 B13R1.893 O=C(O)\C=C\c1cc(F)ccc1O Amb2697909 [0,1,1,0,0,0|1,0,0]=3 2802 B13R1.893 O=C(O)\C=C\c1cc(I)ccc1Br Amb25293171 [0,1,1,0,0,0|1,0,0]=3 2803 B13R1.893 O=C(O)\C=C\c1cc(I)ccc1F Amb22339675 [0,1,1,0,0,0|1,0,0]=3 2804 B13R1.893 O=C(O)\C=C\c1cc(I)ccc1O Amb25858818 [0,1,1,0,0,0|1,0,0]=3 2805 B13R1.893 O=C(O)\C=C\c1cc(I)cnc1F Amb27613852 [0,1,1,0,0,0|2,0,0]=4 2806 B13R1.893 O=C(O)\C=C\c1cc(O)ccc1Br Amb24330669 [0,1,1,0,0,0|1,0,0]=3 2807 B13R1.893 O=C(O)\C=C\c1cc(O)ccc1F Amb27201433 [0,1,1,0,0,0|1,0,0]=3 2808 B13R1.893 O=C(O)\C=C\c1cc(O)ccc1O Amb8383782 [0,1,1,0,0,0|1,0,0]=3 2809 B13R1.893 O=C(O)\C=C\c1nc(F)ccc1I Amb25208548 [0,1,1,0,0,0|2,0,0]=4 2810 B13R1.893 O=C([O-])\C=C\c1cc(F)ccc1F Amb33513183 [0,1,1,0,0,0|1,0,1]=4 2811 B13R1.3787 CC(=O)\C=C\c1c(C)cccc1C Amb33079487 [0,1,1,0,0,0|2,0,0]=4 2812 B13R1.3787 CC(=O)\C=C\c1c(C)cccc1Cl Amb33259768 [0,1,1,0,0,0|2,0,0]=4 2813 B13R1.3787 CC(=O)\C=C\c1c(C)cccc1F Amb33148580 [0,1,1,0,0,0|2,0,0]=4 2814 B13R1.3787 CC(=O)\C=C\c1c(Cl)cccc1Br Amb33335186 [0,1,1,0,0,0|2,0,0]=4 2815 B13R1.3787 CC(=O)\C=C\c1c(Cl)cccc1Cl Amb33052087 [0,1,1,0,0,0|2,0,0]=4 2816 B13R1.3787 CC(=O)\C=C\c1c(F)cccc1Br Amb33431052 [0,1,1,0,0,0|2,0,0]=4 2817 B13R1.3787 CC(=O)\C=C\c1c(F)cccc1Cl Amb33390543 [0,1,1,0,0,0|2,0,0]=4 2818 B13R1.3787 CC(=O)\C=C\c1c(O)cccc1Br Amb33336488 [0,1,1,0,0,0|2,0,0]=4 2819 B13R1.3787 CC(=O)\C=C\c1c(O)cccc1Cl Amb33261787 [0,1,1,0,0,0|2,0,0]=4 2820 B13R1.3787 CC(=O)\C=C\c1c(O)cccc1O Amb25867712 [0,1,1,0,0,0|2,0,0]=4 2821 B13R1.3787 Cc1cccc(Br)c1NCC(=O)O Amb35706800 [0,1,1,0,0,0|0,0,2]=4 2822 B13R1.3787 Cc1cccc(Br)c1\C=C\C(=O)O Amb24454088 [0,1,1,0,0,0|1,0,0]=3 2823 B13R1.3787 Cc1cccc(C)c1NCC(=O)O Amb2616691 [0,1,1,0,0,0|0,0,2]=4 2824 B13R1.3787 Cc1cccc(C)c1NCC(=O)O Amb33550046 [0,1,1,0,0,0|0,0,2]=4 2825 B13R1.3787 Cc1cccc(C)c1\C=C\C(=O)O Amb18647972 [0,1,1,0,0,0|1,0,0]=3 2826 B13R1.3787 Cc1cccc(C)c1\C=C\C(N)=O Amb24694298 [0,1,1,0,0,0|2,0,0]=4 2827 B13R1.3787 Cc1cccc(Cl)c1\C=C\C(=O)O Amb26422981 [0,1,1,0,0,0|1,0,0]=3 2828 B13R1.3787 Cc1cccc(F)c1\C=C\C(=O)O Amb33448658 [0,1,1,0,0,0|1,0,0]=3 2829 B13R1.3787 Cc1cccc(I)c1\C=C\C(=O)O Amb25249263 [0,1,1,0,0,0|1,0,0]=3 2830 B13R1.3787 Cc1cccc(N)c1CCC(=O)O Amb28323470 [0,1,1,0,0,0|0,0,2]=4 2831 B13R1.3787 Cc1cccc(N)c1\C=C\C(=O)O Amb27191787 [0,1,1,0,0,0|0,0,0]=2 2832 B13R1.3787 Cc1cccc(O)c1\C=C\C(=O)O Amb25233249 [0,1,1,0,0,0|1,0,0]=3 2833 B13R1.3787 NC(=O)\C=C\c1c(Cl)cccc1Cl Amb8858364 [0,1,1,0,0,0|2,0,0]=4 2834 B13R1.3787 NC(=O)\C=C\c1c(F)cccc1Cl Amb8858550 [0,1,1,0,0,0|2,0,0]=4 2835 B13R1.3787 NC(=O)\C=C\c1c(F)cccc1F Amb26856974 [0,1,1,0,0,0|2,0,0]=4 2836 B13R1.3787 NC(=O)\C=C\c1c(O)cccc1F Amb27878865 [0,1,1,0,0,0|2,0,0]=4 2837 B13R1.3787 Nc1cccc(Br)c1NCC(=O)O Amb35645870 [0,1,1,0,0,0|1,0,1]=4 2838 B13R1.3787 Nc1cccc(Cl)c1NCC(=O)O Amb18987712 [0,1,1,0,0,0|1,0,1]=4 2839 B13R1.3787 Nc1cccc(Cl)c1OCC(=O)O Amb27976292 [0,1,1,0,0,0|1,0,1]=4 2840 B13R1.3787 Nc1cccc(Cl)c1SCC(=O)O Amb18291276 [0,1,1,0,0,0|1,0,1]=4 2841 B13R1.3787 Nc1cccc(F)c1CCC(=O)O Amb27613841 [0,1,1,0,0,0|0,0,2]=4 2842 B13R1.3787 Nc1cccc(F)c1NCC(=O)O Amb27179488 [0,1,1,0,0,0|1,0,1]=4 2843 B13R1.3787 Nc1cccc(S)c1CCC(=O)O Amb27616050 [0,1,1,0,0,0|0,0,2]=4 2844 B13R1.3787 O=C(Cl)\C=C\c1c(Cl)cccc1Cl Amb16186543 [0,1,1,0,0,0|2,0,0]=4 2845 B13R1.3787 O=C(Cl)\C=C\c1c(F)cccc1Cl Amb16230251 [0,1,1,0,0,0|2,0,0]=4 2846 B13R1.3787 O=C(O)CNc1c(Br)cccc1Br Amb28078026 [0,1,1,0,0,0|1,0,1]=4 2847 B13R1.3787 O=C(O)CNc1c(F)cccc1Cl Amb27654550 [0,1,1,0,0,0|1,0,1]=4 2848 B13R1.3787 O=C(O)CNc1c(F)cccc1F Amb7784581 [0,1,1,0,0,0|1,0,1]=4 2849 B13R1.3787 O=C(O)\C=C\c1c(Cl)cccc1Br Amb33450901 [0,1,1,0,0,0|1,0,0]=3 2850 B13R1.3787 O=C(O)\C=C\c1c(Cl)cccc1Cl Amb1212101 [0,1,1,0,0,0|1,0,0]=3 2851 B13R1.3787 O=C(O)\C=C\c1c(Cl)cncc1Cl Amb33261402 [0,1,1,0,0,0|2,0,0]=4 2852 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1Br Amb33240203 [0,1,1,0,0,0|1,0,0]=3 2853 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1Cl Amb8517059 [0,1,1,0,0,0|1,0,0]=3 2854 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1F Amb1127459 [0,1,1,0,0,0|1,0,0]=3 2855 B13R1.3787 O=C(O)\C=C\c1c(F)cccc1I Amb27596031 [0,1,1,0,0,0|1,0,0]=3 2856 B13R1.3787 O=C(O)\C=C\c1c(F)ccnc1I Amb24611071 [0,1,1,0,0,0|2,0,0]=4 2857 B13R1.3787 O=C(O)\C=C\c1c(F)cncc1F Amb35589136 [0,1,1,0,0,0|2,0,0]=4 2858 B13R1.3787 O=C(O)\C=C\c1c(O)cccc1Br Amb33242087 [0,1,1,0,0,0|1,0,0]=3 2859 B13R1.3787 O=C(O)\C=C\c1c(O)cccc1Cl Amb33261638 [0,1,1,0,0,0|1,0,0]=3 2860 B13R1.3787 O=C(O)\C=C\c1c(O)cccc1F Amb2697908 [0,1,1,0,0,0|1,0,0]=3 2861 B13R1.3787 O=C([O-])\C=C\c1c(F)cccc1F Amb33513186 [0,1,1,0,0,0|1,0,1]=4 2862 B13R1.495 COC(=O)c1ccc(\C=C\C=O)o1 Amb33429923 [0,1,1,0,0,0|2,0,0]=4 2863 B13R1.495 COC(=O)c1ccc(\C=C\C=O)s1 Amb33324764 [0,1,1,0,0,0|2,0,0]=4 2864 B13R1.1985 O=C(O)\C=C\c1ccc(C(=O)O)o1 Amb26448489 [0,1,1,0,0,0|2,0,0]=4 2865 B13R2.26 C=CCc1cc2ccccc2s1 Amb28129898 [1,1,0,0,0,0|2,0,0]=4 2866 B13R2.26 COCc1cc2ccccc2s1 Amb27224969 [1,1,0,0,0,0|1,0,1]=4 2867 B13R2.26 C\C=C\c1cc2ccccc2o1 Amb27209407 [1,1,0,0,0,0|2,0,0]=4 2868 B13R2.26 NOCc1cc2ccccc2o1 Amb27209963 [1,1,0,0,0,0|1,0,1]=4 2869 B13R2.26 NOCc1cc2ccccc2s1 Amb33312849 [1,1,0,0,0,0|1,0,1]=4 2870 B13R2.26 N\N=C\c1cc2ccccc2o1 Amb27451513 [1,1,0,0,0,0|2,0,0]=4 2871 B13R2.26 O=C=Nc1cc2ccccc2o1 Amb25060167 [1,1,0,0,0,0|1,0,1]=4 2872 B13R2.26 O=C=Nc1cc2ccccc2s1 Amb18945392 [1,1,0,0,0,0|1,0,1]=4 2873 B13R2.26 O=CCC1=Cc2ccccc2C1 Amb28351452 [1,1,0,0,0,0|1,0,0]=3 2874 B13R2.26 O=CCC1Cc2ccccc2N1 Amb27186234 [1,1,0,0,0,0|0,0,2]=4 2875 B13R2.26 O=CCc1cc2ccccc2s1 Amb27614816 [1,1,0,0,0,0|1,0,0]=3 2876 B13R2.26 O=CCc1cc2cccnc2s1 Amb27612961 [1,1,0,0,0,0|2,0,0]=4 2877 B13R2.26 O=CCc1cn2ccccc2n1 Amb24330441 [1,1,0,0,0,0|1,0,1]=4 2878 B13R2.26 O=CCc1nc2ccccc2s1 Amb18648050 [1,1,0,0,0,0|1,0,1]=4 2879 B13R2.26 O=CNc1nc2ccccc2s1 Amb4322939 [1,1,0,0,0,0|1,0,1]=4 2880 B13R2.26 OCCC1=Cc2ccccc2C1 Amb17594005 [1,1,0,0,0,0|1,0,1]=4 2881 B13R2.26 OCCc1cc2ccccc2o1 Amb25087334 [1,1,0,0,0,0|1,0,1]=4 2882 B13R2.26 OCCc1cc2ccccc2s1 Amb15692004 [1,1,0,0,0,0|1,0,1]=4 2883 B13R2.26 ONCc1cc2ccccc2s1 Amb33314069 [1,1,0,0,0,0|1,0,1]=4 2884 B13R2.26 O\N=C\c1cc2ccccc2s1 Amb27664129 [1,1,0,0,0,0|1,0,0]=3 2885 B13R2.26 O\N=C\c1cc2cccnc2o1 Amb28323534 [1,1,0,0,0,0|2,0,0]=4 2886 B13R2.26 O\N=C\c1cc2ccncc2o1 Amb27185868 [1,1,0,0,0,0|2,0,0]=4 2887 B13R2.26 O\N=C\c1cc2ncccc2o1 Amb27875585 [1,1,0,0,0,0|2,0,0]=4 2888 B13R2.26 O\N=C\c1cn2ccccc2n1 Amb24565405 [1,1,0,0,0,0|1,0,1]=4 2889 B13R2.26 O\N=C\c1nc2ccccc2o1 Amb1785015 [1,1,0,0,0,0|1,0,1]=4 2890 B13R2.26 O\N=C\c1nc2ccccc2s1 Amb26899566 [1,1,0,0,0,0|1,0,1]=4 2891 B13R2.26 S=C\C=C1\Nc2ccccc2S1 Amb27808667 [1,1,0,0,0,0|1,1,0]=4 2892 B13R2.43 Cc1cc2oc(C=O)cc2cn1 Amb18830128 [1,1,0,0,0,0|2,0,0]=4 2893 B13R2.43 Cc1ccc2cc(C=O)nn2c1 Amb27390587 [1,1,0,0,0,0|1,0,1]=4 2894 B13R2.43 Cc1ccc2cc(C=O)oc2c1 Amb7094335 [1,1,0,0,0,0|1,0,0]=3 2895 B13R2.43 Cc1ccc2cc(C=O)sc2c1 Amb18675010 [1,1,0,0,0,0|1,0,0]=3 2896 B13R2.43 Cc1ccc2nc(C=O)cn2c1 Amb2613561 [1,1,0,0,0,0|1,0,1]=4 2897 B13R2.43 Cc1ccc2nc(C=O)sc2c1 Amb8010286 [1,1,0,0,0,0|1,0,1]=4 2898 B13R2.43 Cc1ccc2oc(C=O)cc2c1 Amb7094339 [1,1,0,0,0,0|1,0,0]=3 2899 B13R2.43 Cc1ccc2oc(C=O)nc2c1 Amb18830123 [1,1,0,0,0,0|1,0,1]=4 2900 B13R2.43 Cc1ccc2oc(CO)cc2c1 Amb18792415 [1,1,0,0,0,0|1,0,1]=4 2901 B13R2.43 Cc1ccc2sc(C=O)cc2c1 Amb2693744 [1,1,0,0,0,0|1,0,0]=3 2902 B13R2.43 Cc1ccc2sc(C=O)nc2c1 Amb18825005 [1,1,0,0,0,0|1,0,1]=4 2903 B13R2.43 Cc1ccc2sc(CO)cc2c1 Amb2724951 [1,1,0,0,0,0|1,0,1]=4 2904 B13R2.43 Cc1ccn2cc(C=O)nc2c1 Amb17097118 [1,1,0,0,0,0|1,0,1]=4 2905 B13R2.43 Nc1cc2oc(C=O)cc2cn1 Amb18829865 [1,1,0,0,0,0|2,0,0]=4 2906 B13R2.43 Nc1ccc2nc(C=O)oc2c1 Amb28458255 [1,1,0,0,0,0|1,0,1]=4 2907 B13R2.43 Nc1ccc2oc(C=O)cc2c1 Amb18830113 [1,1,0,0,0,0|1,0,0]=3 2908 B13R2.43 Nc1ccc2oc(CO)cc2c1 Amb26352458 [1,1,0,0,0,0|1,0,1]=4 2909 B13R2.43 Nc1ccc2sc(C=O)nc2c1 Amb18824881 [1,1,0,0,0,0|1,0,1]=4 2910 B13R2.43 O=Cc1cc2cc(Br)ccc2o1 Amb2570005 [1,1,0,0,0,0|1,0,0]=3 2911 B13R2.43 O=Cc1cc2cc(Br)ccc2s1 Amb17621475 [1,1,0,0,0,0|1,0,0]=3 2912 B13R2.43 O=Cc1cc2cc(Br)ccn2n1 Amb27615413 [1,1,0,0,0,0|1,0,1]=4 2913 B13R2.43 O=Cc1cc2cc(Br)cnc2o1 Amb18750980 [1,1,0,0,0,0|2,0,0]=4 2914 B13R2.43 O=Cc1cc2cc(Br)cnc2s1 Amb18155655 [1,1,0,0,0,0|2,0,0]=4 2915 B13R2.43 O=Cc1cc2cc(Cl)ccc2s1 Amb15695226 [1,1,0,0,0,0|1,0,0]=3 2916 B13R2.43 O=Cc1cc2cc(Cl)cnc2o1 Amb21959409 [1,1,0,0,0,0|2,0,0]=4 2917 B13R2.43 O=Cc1cc2cc(Cl)ncc2o1 Amb18823878 [1,1,0,0,0,0|2,0,0]=4 2918 B13R2.43 O=Cc1cc2cc(Cl)ncc2s1 Amb18188035 [1,1,0,0,0,0|2,0,0]=4 2919 B13R2.43 O=Cc1cc2cc(F)ccc2o1 Amb18829078 [1,1,0,0,0,0|1,0,0]=3 2920 B13R2.43 O=Cc1cc2cc(F)ccc2s1 Amb13882835 [1,1,0,0,0,0|1,0,0]=3 2921 B13R2.43 O=Cc1cc2cc(F)cnc2s1 Amb32655512 [1,1,0,0,0,0|2,0,0]=4 2922 B13R2.43 O=Cc1cc2cc(I)ccc2s1 Amb27616797 [1,1,0,0,0,0|1,0,0]=3 2923 B13R2.43 O=Cc1cc2cc(O)ccc2o1 Amb18829872 [1,1,0,0,0,0|1,0,0]=3 2924 B13R2.43 O=Cc1cc2cc(O)ccc2s1 Amb18824899 [1,1,0,0,0,0|1,0,0]=3 2925 B13R2.43 O=Cc1cc2ccc(Br)cc2o1 Amb18754952 [1,1,0,0,0,0|1,0,0]=3 2926 B13R2.43 O=Cc1cc2ccc(Br)cc2s1 Amb17621476 [1,1,0,0,0,0|1,0,0]=3 2927 B13R2.43 O=Cc1cc2ccc(Br)cn2n1 Amb25726476 [1,1,0,0,0,0|1,0,1]=4 2928 B13R2.43 O=Cc1cc2ccc(Br)nc2s1 Amb18728475 [1,1,0,0,0,0|2,0,0]=4 2929 B13R2.43 O=Cc1cc2ccc(Cl)cc2s1 Amb18675006 [1,1,0,0,0,0|1,0,0]=3 2930 B13R2.43 O=Cc1cc2ccc(Cl)nc2s1 Amb18130454 [1,1,0,0,0,0|2,0,0]=4 2931 B13R2.43 O=Cc1cc2ccc(F)cc2o1 Amb18829081 [1,1,0,0,0,0|1,0,0]=3 2932 B13R2.43 O=Cc1cc2ccc(F)cc2s1 Amb18141134 [1,1,0,0,0,0|1,0,0]=3 2933 B13R2.43 O=Cc1cc2ccc(O)cc2o1 Amb25159565 [1,1,0,0,0,0|1,0,0]=3 2934 B13R2.43 O=Cc1cc2cnc(Br)cc2o1 Amb18750968 [1,1,0,0,0,0|2,0,0]=4 2935 B13R2.43 O=Cc1cc2nc(Br)ccc2o1 Amb18160790 [1,1,0,0,0,0|2,0,0]=4 2936 B13R2.43 O=Cc1cc2nc(Br)ccc2s1 Amb18155652 [1,1,0,0,0,0|2,0,0]=4 2937 B13R2.43 O=Cc1cc2nc(Cl)ccc2s1 Amb26903112 [1,1,0,0,0,0|2,0,0]=4 2938 B13R2.43 O=Cc1cc2ncc(Br)cc2o1 Amb13890167 [1,1,0,0,0,0|2,0,0]=4 2939 B13R2.43 O=Cc1cn2cc(Br)ccc2n1 Amb33549144 [1,1,0,0,0,0|1,0,1]=4 2940 B13R2.43 O=Cc1cn2cc(Cl)ccc2n1 Amb10610306 [1,1,0,0,0,0|1,0,1]=4 2941 B13R2.43 O=Cc1cn2cc(F)ccc2n1 Amb21962430 [1,1,0,0,0,0|1,0,1]=4 2942 B13R2.43 O=Cc1cn2ccc(Br)cc2n1 Amb21964693 [1,1,0,0,0,0|1,0,1]=4 2943 B13R2.43 O=Cc1cn2ccc(Cl)cc2n1 Amb18101392 [1,1,0,0,0,0|1,0,1]=4 2944 B13R2.43 O=Cc1nc2cc(Br)ccc2o1 Amb18160780 [1,1,0,0,0,0|1,0,1]=4 2945 B13R2.43 O=Cc1nc2cc(Br)ccc2s1 Amb18155963 [1,1,0,0,0,0|1,0,1]=4 2946 B13R2.43 O=Cc1nc2cc(F)ccc2o1 Amb18199719 [1,1,0,0,0,0|1,0,1]=4 2947 B13R2.43 O=Cc1nc2cc(F)ccc2s1 Amb18193371 [1,1,0,0,0,0|1,0,1]=4 2948 B13R2.43 O=Cc1nc2cc(I)ccc2o1 Amb27615809 [1,1,0,0,0,0|1,0,1]=4 2949 B13R2.43 O=Cc1nc2cc(O)ccc2o1 Amb18829550 [1,1,0,0,0,0|1,0,1]=4 2950 B13R2.43 O=Cc1nc2cc(O)ccc2s1 Amb18824746 [1,1,0,0,0,0|1,0,1]=4 2951 B13R2.43 O=Cc1nc2cc(S)ccc2o1 Amb27848637 [1,1,0,0,0,0|1,0,1]=4 2952 B13R2.43 O=Cc1nc2ccc(Br)cc2o1 Amb22499255 [1,1,0,0,0,0|1,0,1]=4 2953 B13R2.43 O=Cc1nc2ccc(Br)cc2s1 Amb18155969 [1,1,0,0,0,0|1,0,1]=4 2954 B13R2.43 O=Cc1nc2ccc(Cl)cc2o1 Amb18823884 [1,1,0,0,0,0|1,0,1]=4 2955 B13R2.43 O=Cc1nc2ccc(Cl)cc2s1 Amb18812045 [1,1,0,0,0,0|1,0,1]=4 2956 B13R2.43 O=Cc1nc2ccc(F)cc2o1 Amb18828625 [1,1,0,0,0,0|1,0,1]=4 2957 B13R2.43 O=Cc1nc2ccc(F)cc2s1 Amb18193373 [1,1,0,0,0,0|1,0,1]=4 2958 B13R2.43 O=Cc1nc2ccc(I)cc2o1 Amb27615811 [1,1,0,0,0,0|1,0,1]=4 2959 B13R2.43 O=Cc1nc2ccc(O)cc2o1 Amb18829549 [1,1,0,0,0,0|1,0,1]=4 2960 B13R2.43 O=Cc1nc2ccc(O)cc2s1 Amb18824747 [1,1,0,0,0,0|1,0,1]=4 2961 B13R2.43 O=Cc1nc2ccc(S)cc2o1 Amb28428666 [1,1,0,0,0,0|1,0,1]=4 2962 B13R2.43 OCc1cc2cc(Br)ccc2o1 Amb2723500 [1,1,0,0,0,0|1,0,1]=4 2963 B13R2.43 OCc1cc2cc(Br)ccc2s1 Amb17621477 [1,1,0,0,0,0|1,0,1]=4 2964 B13R2.43 OCc1cc2cc(Cl)ccc2o1 Amb22284435 [1,1,0,0,0,0|1,0,1]=4 2965 B13R2.43 OCc1cc2cc(Cl)ccc2s1 Amb15695225 [1,1,0,0,0,0|1,0,1]=4 2966 B13R2.43 OCc1cc2cc(F)ccc2o1 Amb22496847 [1,1,0,0,0,0|1,0,1]=4 2967 B13R2.43 OCc1cc2cc(F)ccc2s1 Amb10975791 [1,1,0,0,0,0|1,0,1]=4 2968 B13R2.43 OCc1cc2cc(O)ccc2s1 Amb27613155 [1,1,0,0,0,0|1,0,1]=4 2969 B13R2.43 OCc1cc2ccc(Br)cc2o1 Amb22496813 [1,1,0,0,0,0|1,0,1]=4 2970 B13R2.43 OCc1cc2ccc(Br)cc2s1 Amb10975733 [1,1,0,0,0,0|1,0,1]=4 2971 B13R2.43 OCc1cc2ccc(Cl)cc2s1 Amb10975794 [1,1,0,0,0,0|1,0,1]=4 2972 B13R2.43 OCc1cc2ccc(F)cc2s1 Amb22371019 [1,1,0,0,0,0|1,0,1]=4 2973 B13R2.43 OCc1cc2ccc(I)cc2o1 Amb22496835 [1,1,0,0,0,0|1,0,1]=4 2974 B13R2.45 C#Cc1cc2ccccc2n1C Amb26893375 [1,1,0,0,0,0|1,0,1]=4 2975 B13R2.45 C=Cc1cc2ccccc2n1C Amb24656723 [1,1,0,0,0,0|1,0,0]=3 2976 B13R2.45 C=Cc1oc2ccccc2c1C Amb24102391 [1,1,0,0,0,0|2,0,0]=4 2977 B13R2.45 CC1=C(C=O)Cc2ccccc21 Amb25276375 [1,1,0,0,0,0|1,0,0]=3 2978 B13R2.45 CC1c2ccccc2NC1C=O Amb18829943 [1,1,0,0,0,0|0,0,2]=4 2979 B13R2.45 CNc1cc2ccccc2n1C Amb22753877 [1,1,0,0,0,0|2,0,0]=4 2980 B13R2.45 C\C=C1/Cc2ccccc2C1=O Amb28076573 [1,1,0,0,0,0|2,0,0]=4 2981 B13R2.45 Cc1c(C=O)cc2ccccn12 Amb24407253 [1,1,0,0,0,0|2,0,0]=4 2982 B13R2.45 Cc1c(C=O)nc2ccccn12 Amb22886668 [1,1,0,0,0,0|1,0,1]=4 2983 B13R2.45 Cc1c(C=O)oc2ccccc12 Amb2702463 [1,1,0,0,0,0|1,0,0]=3 2984 B13R2.45 Cc1c(C=O)sc2ccccc12 Amb2725058 [1,1,0,0,0,0|1,0,0]=3 2985 B13R2.45 Cc1c(C=O)sc2cccnc12 Amb18139838 [1,1,0,0,0,0|2,0,0]=4 2986 B13R2.45 Cc1c(C=O)sc2ccncc12 Amb18141158 [1,1,0,0,0,0|2,0,0]=4 2987 B13R2.45 Cc1c(C=O)sc2cnccc12 Amb18675143 [1,1,0,0,0,0|2,0,0]=4 2988 B13R2.45 Cc1c(C=O)sc2ncccc12 Amb18141153 [1,1,0,0,0,0|2,0,0]=4 2989 B13R2.45 Cc1c(CO)oc2ccccc12 Amb18554026 [1,1,0,0,0,0|1,0,1]=4 2990 B13R2.45 Cc1c(CO)sc2ccccc12 Amb3430711 [1,1,0,0,0,0|1,0,1]=4 2991 B13R2.45 Cn1c(C#N)cc2ccccc21 Amb18644812 [1,1,0,0,0,0|1,0,1]=4 2992 B13R2.45 Cn1c(C=O)cc2ccccc21 Amb534693 [1,1,0,0,0,0|0,0,0]=2 2993 B13R2.45 Cn1c(C=O)cc2cccnc21 Amb18830239 [1,1,0,0,0,0|1,0,0]=3 2994 B13R2.45 Cn1c(C=O)cc2ccncc21 Amb18830233 [1,1,0,0,0,0|1,0,0]=3 2995 B13R2.45 Cn1c(C=O)cc2cnccc21 Amb18830237 [1,1,0,0,0,0|1,0,0]=3 2996 B13R2.45 Cn1c(C=O)cc2cncnc21 Amb18830015 [1,1,0,0,0,0|2,0,0]=4 2997 B13R2.45 Cn1c(C=O)cc2ncccc21 Amb18830240 [1,1,0,0,0,0|1,0,0]=3 2998 B13R2.45 Cn1c(C=O)nc2ccccc21 Amb6336137 [1,1,0,0,0,0|1,0,0]=3 2999 B13R2.45 Cn1c(C=O)nc2cccnc21 Amb18830058 [1,1,0,0,0,0|2,0,0]=4 3000 B13R2.45 Cn1c(C=O)nc2ccncc21 Amb18830060 [1,1,0,0,0,0|2,0,0]=4 3001 B13R2.45 Cn1c(C=O)nc2ncccc21 Amb18830059 [1,1,0,0,0,0|2,0,0]=4 3002 B13R2.45 Cn1c(C=O)nc2ncccc21 Amb21864645 [1,1,0,0,0,0|2,0,0]=4 3003 B13R2.45 Cn1c(CBr)cc2ccccc21 Amb23401676 [1,1,0,0,0,0|1,0,1]=4 3004 B13R2.45 Cn1c(CCl)cc2ccccc21 Amb23400182 [1,1,0,0,0,0|1,0,1]=4 3005 B13R2.45 Cn1c(CN)cc2ccccc21 Amb10071078 [1,1,0,0,0,0|1,0,1]=4 3006 B13R2.45 Cn1c(CO)cc2ccccc21 Amb22224825 [1,1,0,0,0,0|0,0,1]=3 3007 B13R2.45 Cn1c(CO)cc2cccnc21 Amb24069702 [1,1,0,0,0,0|1,0,1]=4 3008 B13R2.45 Cn1c(CO)nc2ccccc21 Amb1076856 [1,1,0,0,0,0|1,0,1]=4 3009 B13R2.45 Cn1c(CS)cc2ccccc21 Amb33142751 [1,1,0,0,0,0|0,1,1]=4 3010 B13R2.45 Cn1c(NO)nc2ccccc21 Amb27800896 [1,1,0,0,0,0|2,0,0]=4 3011 B13R2.45 N=Cc1oc2ccccc2c1O Amb26023954 [1,1,0,0,0,0|2,0,0]=4 3012 B13R2.45 N=Cc1sc2ccccc2c1O Amb27441867 [1,1,0,0,0,0|2,0,0]=4 3013 B13R2.45 N=Cc1sc2ccccc2c1S Amb28368586 [1,1,0,0,0,0|2,0,0]=4 3014 B13R2.45 N\C=C1/Cc2ccccc2C1=O Amb26398787 [1,1,0,0,0,0|2,0,0]=4 3015 B13R2.45 N\C=C1\Cc2ccccc2C1=O Amb24553059 [1,1,0,0,0,0|2,0,0]=4 3016 B13R2.45 N\C=C1\Nc2ccccc2C1=O Amb2637551 [1,1,0,0,0,0|1,0,0]=3 3017 B13R2.45 N\C=C1\Sc2ccccc2C1=O Amb27959187 [1,1,0,0,0,0|2,0,0]=4 3018 B13R2.45 Nc1c(C=O)nc2ccccn12 Amb18830012 [1,1,0,0,0,0|1,0,1]=4 3019 B13R2.45 Nc1c(C=O)oc2ccccc12 Amb18830111 [1,1,0,0,0,0|1,0,0]=3 3020 B13R2.45 Nc1c(C=O)sc2ccccc12 Amb18825002 [1,1,0,0,0,0|1,0,0]=3 3021 B13R2.45 Nc1c(CO)sc2ccccc12 Amb23403643 [1,1,0,0,0,0|1,0,1]=4 3022 B13R2.45 Nn1c(CO)nc2ccccc21 Amb1034631 [1,1,0,0,0,0|1,0,1]=4 3023 B13R2.45 O=C1C(CO)=Cc2ccccc21 Amb27805332 [1,1,0,0,0,0|1,0,1]=4 3024 B13R2.45 O=C1\C(=C/[O-])Cc2ccccc21 Amb28241911 [1,1,0,0,0,0|1,0,1]=4 3025 B13R2.45 O=C1\C(=C\Cl)Cc2ccccc21 Amb27865662 [1,1,0,0,0,0|2,0,0]=4 3026 B13R2.45 O=C1\C(=C\O)Nc2ccccc21 Amb27175913 [1,1,0,0,0,0|0,0,0]=2 3027 B13R2.45 O=C1\C(=C\[O-])Cc2ccccc21 Amb20669424 [1,1,0,0,0,0|1,0,1]=4 3028 B13R2.45 O=C1\C(=N/O)Cc2ccccc21 Amb2610323 [1,1,0,0,0,0|2,0,0]=4 3029 B13R2.45 O=C1\C(=N\O)Cc2ccccc21 Amb22348033 [1,1,0,0,0,0|2,0,0]=4 3030 B13R2.45 O=CC1Sc2ccccc2C1=O Amb26578767 [1,1,0,0,0,0|1,0,1]=4 3031 B13R2.45 O=Cc1nc2ccccn2c1Br Amb19515096 [1,1,0,0,0,0|1,0,1]=4 3032 B13R2.45 O=Cc1nc2ccccn2c1Br Amb2384529 [1,1,0,0,0,0|1,0,1]=4 3033 B13R2.45 O=Cc1nc2ccccn2c1Cl Amb2612935 [1,1,0,0,0,0|1,0,1]=4 3034 B13R2.45 O=Cc1oc2ccccc2c1Br Amb18134589 [1,1,0,0,0,0|1,0,0]=3 3035 B13R2.45 O=Cc1oc2ccccc2c1Cl Amb33528139 [1,1,0,0,0,0|1,0,0]=3 3036 B13R2.45 O=Cc1oc2ccccc2c1O Amb27636087 [1,1,0,0,0,0|1,0,0]=3 3037 B13R2.45 O=Cc1oc2cccnc2c1Br Amb18160777 [1,1,0,0,0,0|2,0,0]=4 3038 B13R2.45 O=Cc1oc2ccncc2c1Cl Amb18823882 [1,1,0,0,0,0|2,0,0]=4 3039 B13R2.45 O=Cc1oc2ncccc2c1Br Amb18160779 [1,1,0,0,0,0|2,0,0]=4 3040 B13R2.45 O=Cc1oc2ncccc2c1Cl Amb18648559 [1,1,0,0,0,0|2,0,0]=4 3041 B13R2.45 O=Cc1sc2cccc[n+]2c1[O-] Amb28042885 [1,1,0,0,0,0|2,0,0]=4 3042 B13R2.45 O=Cc1sc2ccccc2c1Br Amb18156446 [1,1,0,0,0,0|1,0,0]=3 3043 B13R2.45 O=Cc1sc2ccccc2c1Cl Amb6368941 [1,1,0,0,0,0|1,0,0]=3 3044 B13R2.45 O=Cc1sc2ccccc2c1I Amb22751335 [1,1,0,0,0,0|1,0,0]=3 3045 B13R2.45 O=Cc1sc2ccccc2c1O Amb4303853 [1,1,0,0,0,0|1,0,0]=3 3046 B13R2.45 O=Cc1sc2cccnc2c1Br Amb18727447 [1,1,0,0,0,0|2,0,0]=4 3047 B13R2.45 O=Cc1sc2cccnc2c1Cl Amb18812040 [1,1,0,0,0,0|2,0,0]=4 3048 B13R2.45 O=Cc1sc2ccncc2c1Br Amb18156162 [1,1,0,0,0,0|2,0,0]=4 3049 B13R2.45 O=Cc1sc2ccncc2c1Cl Amb18812039 [1,1,0,0,0,0|2,0,0]=4 3050 B13R2.45 O=Cc1sc2ncccc2c1Br Amb18728474 [1,1,0,0,0,0|2,0,0]=4 3051 B13R2.45 O=Cc1sc2ncccc2c1Cl Amb18812041 [1,1,0,0,0,0|2,0,0]=4 3052 B13R2.45 OCc1oc2ccccc2c1Br Amb24743941 [1,1,0,0,0,0|1,0,1]=4 3053 B13R2.45 OCc1sc2ccccc2c1Br Amb27631078 [1,1,0,0,0,0|1,0,1]=4 3054 B13R2.45 OCc1sc2ccccc2c1Cl Amb1157146 [1,1,0,0,0,0|1,0,1]=4 3055 B13R2.54 Cc1cccc2c1CC(C=O)=C2 Amb18645055 [1,1,0,0,0,0|1,0,0]=3 3056 B13R2.54 Cc1cccc2cc(C=O)nn12 Amb28244131 [1,1,0,0,0,0|1,0,1]=4 3057 B13R2.54 Cc1cccc2cc(C=O)sc12 Amb18675012 [1,1,0,0,0,0|1,0,0]=3 3058 B13R2.54 Cc1cccc2cc(CO)oc12 Amb28366588 [1,1,0,0,0,0|1,0,1]=4 3059 B13R2.54 Cc1cccc2nc(C=O)cn12 Amb2613591 [1,1,0,0,0,0|1,0,1]=4 3060 B13R2.54 Cc1cccc2oc(C=O)cc12 Amb18830290 [1,1,0,0,0,0|1,0,0]=3 3061 B13R2.54 Cc1cccc2sc(C=O)cc12 Amb18675011 [1,1,0,0,0,0|1,0,0]=3 3062 B13R2.54 Cc1cccc2sc(C=O)nc12 Amb18825006 [1,1,0,0,0,0|1,0,1]=4 3063 B13R2.54 Cc1nccc2oc(C=O)cc12 Amb18830129 [1,1,0,0,0,0|2,0,0]=4 3064 B13R2.54 Nc1cccc2cc(C=O)oc12 Amb18830109 [1,1,0,0,0,0|1,0,0]=3 3065 B13R2.54 Nc1cccc2nc(C=O)cn12 Amb18830016 [1,1,0,0,0,0|1,0,1]=4 3066 B13R2.54 Nc1cccc2oc(C=O)cc12 Amb18830105 [1,1,0,0,0,0|1,0,0]=3 3067 B13R2.54 Nc1cccc2oc(CO)cc12 Amb23412332 [1,1,0,0,0,0|1,0,1]=4 3068 B13R2.54 Nc1nccc2oc(C=O)cc12 Amb32659214 [1,1,0,0,0,0|2,0,0]=4 3069 B13R2.54 O=CC1=CN2C(=O)N=CC=C2N1 Amb18829509 [1,1,0,0,0,0|2,0,0]=4 3070 B13R2.54 O=Cc1cc2c(Br)cccc2o1 Amb18754939 [1,1,0,0,0,0|1,0,0]=3 3071 B13R2.54 O=Cc1cc2c(Br)cccc2s1 Amb18156449 [1,1,0,0,0,0|1,0,0]=3 3072 B13R2.54 O=Cc1cc2c(Br)cccn2n1 Amb33728228 [1,1,0,0,0,0|1,0,1]=4 3073 B13R2.54 O=Cc1cc2c(Br)cncc2s1 Amb33740155 [1,1,0,0,0,0|2,0,0]=4 3074 B13R2.54 O=Cc1cc2c(Br)nccc2o1 Amb18160775 [1,1,0,0,0,0|2,0,0]=4 3075 B13R2.54 O=Cc1cc2c(Br)nccc2s1 Amb18156202 [1,1,0,0,0,0|2,0,0]=4 3076 B13R2.54 O=Cc1cc2c(Cl)cccc2s1 Amb10975246 [1,1,0,0,0,0|1,0,0]=3 3077 B13R2.54 O=Cc1cc2c(Cl)cncc2s1 Amb13890510 [1,1,0,0,0,0|2,0,0]=4 3078 B13R2.54 O=Cc1cc2c(Cl)nccc2o1 Amb18648558 [1,1,0,0,0,0|2,0,0]=4 3079 B13R2.54 O=Cc1cc2c(Cl)nccc2s1 Amb24571188 [1,1,0,0,0,0|2,0,0]=4 3080 B13R2.54 O=Cc1cc2c(F)cccc2s1 Amb18141133 [1,1,0,0,0,0|1,0,0]=3 3081 B13R2.54 O=Cc1cc2c(I)cccc2s1 Amb27207327 [1,1,0,0,0,0|1,0,0]=3 3082 B13R2.54 O=Cc1cc2c(O)cccc2o1 Amb27209821 [1,1,0,0,0,0|1,0,0]=3 3083 B13R2.54 O=Cc1cc2c(O)cccc2s1 Amb32667665 [1,1,0,0,0,0|1,0,0]=3 3084 B13R2.54 O=Cc1cc2c(O)nccc2o1 Amb18829556 [1,1,0,0,0,0|2,0,0]=4 3085 B13R2.54 O=Cc1cc2c(s1)C=CNC2=O Amb33715571 [1,1,0,0,0,0|2,0,0]=4 3086 B13R2.54 O=Cc1cc2cccc(Br)c2o1 Amb16233534 [1,1,0,0,0,0|1,0,0]=3 3087 B13R2.54 O=Cc1cc2cccc(Br)c2s1 Amb22371020 [1,1,0,0,0,0|1,0,0]=3 3088 B13R2.54 O=Cc1cc2cccc(Cl)c2o1 Amb18824315 [1,1,0,0,0,0|1,0,0]=3 3089 B13R2.54 O=Cc1cc2cccc(Cl)c2s1 Amb18675014 [1,1,0,0,0,0|1,0,0]=3 3090 B13R2.54 O=Cc1cc2cccc(F)c2o1 Amb18829079 [1,1,0,0,0,0|1,0,0]=3 3091 B13R2.54 O=Cc1cc2cccc(F)c2s1 Amb18139675 [1,1,0,0,0,0|1,0,0]=3 3092 B13R2.54 O=Cc1cc2ccnc(Cl)c2o1 Amb18823879 [1,1,0,0,0,0|2,0,0]=4 3093 B13R2.54 O=Cc1cc2ccnc(Cl)c2s1 Amb18811784 [1,1,0,0,0,0|2,0,0]=4 3094 B13R2.54 O=Cc1cc2cncc(Br)c2o1 Amb18750971 [1,1,0,0,0,0|2,0,0]=4 3095 B13R2.54 O=Cc1cc2cncc(I)c2o1 Amb28350365 [1,1,0,0,0,0|2,0,0]=4 3096 B13R2.54 O=Cc1cc2cncc(O)c2o1 Amb28255523 [1,1,0,0,0,0|2,0,0]=4 3097 B13R2.54 O=Cc1cc2nccc(Cl)c2s1 Amb18812037 [1,1,0,0,0,0|2,0,0]=4 3098 B13R2.54 O=Cc1cn2c(Br)cccc2n1 Amb22057543 [1,1,0,0,0,0|1,0,1]=4 3099 B13R2.54 O=Cc1cn2c(Cl)cccc2n1 Amb18624696 [1,1,0,0,0,0|1,0,1]=4 3100 B13R2.54 O=Cc1cn2c(F)cccc2n1 Amb15695344 [1,1,0,0,0,0|1,0,1]=4 3101 B13R2.54 O=Cc1cn2cccc(Br)c2n1 Amb22057560 [1,1,0,0,0,0|1,0,1]=4 3102 B13R2.54 O=Cc1cn2cccc(F)c2n1 Amb24054280 [1,1,0,0,0,0|1,0,1]=4 3103 B13R2.54 O=Cc1nc2c(Br)cccc2o1 Amb22756790 [1,1,0,0,0,0|1,0,1]=4 3104 B13R2.54 O=Cc1nc2c(Br)cccc2s1 Amb33067969 [1,1,0,0,0,0|1,0,1]=4 3105 B13R2.54 O=Cc1nc2c(Cl)cccc2o1 Amb25057912 [1,1,0,0,0,0|1,0,1]=4 3106 B13R2.54 O=Cc1nc2c(F)cccc2o1 Amb18828624 [1,1,0,0,0,0|1,0,1]=4 3107 B13R2.54 O=Cc1nc2c(O)cccc2o1 Amb27851721 [1,1,0,0,0,0|1,0,1]=4 3108 B13R2.54 O=Cc1nc2c(O)cccc2s1 Amb18824743 [1,1,0,0,0,0|1,0,1]=4 3109 B13R2.54 O=Cc1nc2c(S)cccc2o1 Amb27268657 [1,1,0,0,0,0|1,0,1]=4 3110 B13R2.54 O=Cc1nc2c(S)cccc2s1 Amb28074684 [1,1,0,0,0,0|1,0,1]=4 3111 B13R2.54 O=Cc1nc2cccc(Br)c2o1 Amb22756059 [1,1,0,0,0,0|1,0,1]=4 3112 B13R2.54 O=Cc1nc2cccc(Br)c2s1 Amb32797298 [1,1,0,0,0,0|1,0,1]=4 3113 B13R2.54 O=Cc1nc2cccc(Cl)c2s1 Amb18812043 [1,1,0,0,0,0|1,0,1]=4 3114 B13R2.54 O=Cc1nc2cccc(F)c2s1 Amb18193372 [1,1,0,0,0,0|1,0,1]=4 3115 B13R2.54 O=Cc1nc2cccc(I)c2o1 Amb26619942 [1,1,0,0,0,0|1,0,1]=4 3116 B13R2.54 O=Cc1nc2cccc(O)c2o1 Amb27463591 [1,1,0,0,0,0|1,0,1]=4 3117 B13R2.54 O=Cc1nc2cccc(O)c2s1 Amb25724431 [1,1,0,0,0,0|1,0,1]=4 3118 B13R2.54 O=Cc1nc2cccc(S)c2o1 Amb27615812 [1,1,0,0,0,0|1,0,1]=4 3119 B13R2.54 OCc1cc2c(Br)cccc2s1 Amb19895166 [1,1,0,0,0,0|1,0,1]=4 3120 B13R2.54 OCc1cc2c(Cl)cccc2s1 Amb10975807 [1,1,0,0,0,0|1,0,1]=4 3121 B13R2.54 OCc1cc2c(F)cccc2s1 Amb21926868 [1,1,0,0,0,0|1,0,1]=4 3122 B13R2.54 OCc1cc2cccc(Br)c2o1 Amb25320950 [1,1,0,0,0,0|1,0,1]=4 3123 B13R2.54 OCc1cc2cccc(Br)c2s1 Amb19895051 [1,1,0,0,0,0|1,0,1]=4 3124 B13R2.54 OCc1cc2cccc(F)c2s1 Amb10975792 [1,1,0,0,0,0|1,0,1]=4 3125 B13R2.54 OCc1cc2cccc(O)c2o1 Amb22496848 [1,1,0,0,0,0|1,0,1]=4 3126 B13R2.400 Cc1cc2oc(C(=O)O)cc2s1 Amb18677845 [0,1,0,0,1,0|2,0,0]=4 3127 B13R2.400 Cc1cc2sc(C(=O)O)cc2s1 Amb2642763 [0,1,0,0,1,0|2,0,0]=4 3128 B13R2.400 Nc1cc2cc(C(=O)O)sc2s1 Amb18187710 [0,1,0,0,1,0|2,0,0]=4 3129 B13R2.400 Nc1cc2sc(C(=O)O)cc2s1 Amb18811184 [0,1,0,0,1,0|2,0,0]=4 3130 B13R2.400 O=C(O)c1cc2cc(Br)sc2s1 Amb33018586 [0,1,0,0,1,0|2,0,0]=4 3131 B13R2.400 O=C(O)c1cc2cc(Cl)sc2s1 Amb2642664 [0,1,0,0,1,0|2,0,0]=4 3132 B13R2.400 O=C(O)c1cc2sc(Br)cc2o1 Amb18714201 [0,1,0,0,1,0|2,0,0]=4 3133 B13R2.400 O=C(O)c1cc2sc(Br)cc2s1 Amb18691820 [0,1,0,0,1,0|2,0,0]=4 3134 B13R2.400 O=C(O)c1cc2sc(Cl)cc2s1 Amb2642665 [0,1,0,0,1,0|2,0,0]=4 3135 B13R2.400 O=C(O)c1cc2sc(F)cc2s1 Amb2642738 [0,1,0,0,1,0|2,0,0]=4 3136 B13R2.400 O=C(O)c1cc2sc(O)cc2s1 Amb18810773 [0,1,0,0,1,0|2,0,0]=4 3137 B13R2.531 COC(=O)c1cc2ccnc2n1 Amb35825156 [0,1,0,0,1,0|1,0,1]=4 3138 B13R2.531 COC(=O)c1cc2ccsc2o1 Amb27210184 [0,1,0,0,1,0|2,0,0]=4 3139 B13R2.531 COC(=O)c1cc2cscc2s1 Amb22728314 [0,1,0,0,1,0|2,0,0]=4 3140 B13R2.531 COC(=O)c1cc2occc2s1 Amb27178894 [0,1,0,0,1,0|2,0,0]=4 3141 B13R2.531 COC(=O)c1cc2sccc2s1 Amb2766637 [0,1,0,0,1,0|2,0,0]=4 3142 B13R2.531 O=C(NO)c1cc2cscc2s1 Amb35739850 [0,1,0,0,1,0|2,0,0]=4 3143 B13R2.531 O=C(NO)c1cc2sccc2s1 Amb27654906 [0,1,0,0,1,0|2,0,0]=4 3144 B13R2.2334 CC(=O)c1cc2occc2n1C Amb18829465 [0,1,0,0,1,0|2,0,0]=4 3145 B13R2.2334 Cc1c(C(=O)O)sc2cccn12 Amb27865503 [0,1,0,0,1,0|2,0,0]=4 3146 B13R2.2334 Cc1c(C(=O)O)sc2ccsc12 Amb2642762 [0,1,0,0,1,0|2,0,0]=4 3147 B13R2.2334 Cn1c(C(=O)O)cc2ccsc21 Amb23450795 [0,1,0,0,1,0|1,0,0]=3 3148 B13R2.2334 Cn1c(C(=O)O)cc2occc21 Amb17731499 [0,1,0,0,1,0|1,0,0]=3 3149 B13R2.2334 Cn1c(C(=O)O)cc2sccc21 Amb2607662 [0,1,0,0,1,0|1,0,0]=3 3150 B13R2.2334 Cn1c(C(=O)O)cc2scnc21 Amb25066967 [0,1,0,0,1,0|2,0,0]=4 3151 B13R2.2334 Cn1c(C(=O)O)cn2ccnc12 Amb27753898 [0,1,0,0,1,0|2,0,0]=4 3152 B13R2.2334 Nc1c(C(=O)O)oc2ccsc12 Amb18677857 [0,1,0,0,1,0|2,0,0]=4 3153 B13R2.2334 Nc1c(C(=O)O)sc2ccsc12 Amb18677865 [0,1,0,0,1,0|2,0,0]=4 3154 B13R2.2334 O=C(O)c1oc2ccsc2c1Br Amb18714206 [0,1,0,0,1,0|2,0,0]=4 3155 B13R2.2334 O=C(O)c1sc2sccc2c1Cl Amb1154136 [0,1,0,0,1,0|2,0,0]=4 3156 B13R2.3678 Cn1ccc2cc(C(=O)O)oc21 Amb18828611 [0,1,0,0,1,0|2,0,0]=4 3157 B13R2.3678 Cn1ccc2cc(C(=O)O)sc21 Amb18824198 [0,1,0,0,1,0|2,0,0]=4 3158 B13R2.3678 Cn1ccc2oc(C(=O)O)cc21 Amb18828608 [0,1,0,0,1,0|2,0,0]=4 3159 B13R2.3678 Cn1ccc2sc(C(=O)O)cc21 Amb18824216 [0,1,0,0,1,0|2,0,0]=4 3160 B13R2.3678 O=C(O)c1cc2scc(Br)c2s1 Amb27801014 [0,1,0,0,1,0|2,0,0]=4 3161 B13R2.3678 O=C(O)c1cc2scc(Cl)c2s1 Amb2611415 [0,1,0,0,1,0|2,0,0]=4 3162 B13R2.244 C[C@@H]1c2ccccc2[C@@H]1C(=O)O Amb28132389 [0,1,0,0,1,0|0,0,2]=4 3163 B13R2.4852 O=C(O)C1Cc2c(Cl)cccc21 Amb26517376 [0,1,0,0,1,0|0,0,2]=4 3164 B13R2.4852 O=C(O)C1Cc2c(O)cccc21 Amb28138012 [0,1,0,0,1,0|0,0,2]=4 3165 B13R2.4854 O=C(O)C1Cc2cccc(Cl)c21 Amb32794570 [0,1,0,0,1,0|0,0,2]=4 3166 B13R2.4930 Cc1ccc2c(c1)C(C(=O)O)C2 Amb32660510 [0,1,0,0,1,0|0,0,2]=4 3167 B13R2.4930 O=C(O)C1Cc2ccc(Cl)cc21 Amb26951445 [0,1,0,0,1,0|0,0,2]=4 3168 B13R2.4930 O=C(O)C1Cc2ccc(F)cc21 Amb24363152 [0,1,0,0,1,0|0,0,2]=4 3169 B13R2.5517 CC1(C(=O)O)Cc2ccccc21 Amb17778872 [0,1,0,0,1,0|0,0,2]=4 3170 B13R2.5517 NC1(C(=O)O)Cc2ccccc21 Amb28120231 [0,1,0,0,1,0|0,0,2]=4 3171 B13R2.15272 COC(=O)C1Cc2ccccc21 Amb27616823 [0,1,0,0,1,0|0,0,2]=4 3172 B15R2.629 CC(=O)Cc1cc2ccccc2n1C Amb33345160 [0,1,0,0,0,1|1,0,0]=3 3173 B15R2.629 CC(=O)Cc1oc2ccccc2c1Br Amb28436421 [0,1,0,0,0,1|2,0,0]=4 3174 B15R2.629 CC(=O)Cc1oc2ccccc2c1C Amb18055193 [0,1,0,0,0,1|2,0,0]=4 3175 B15R2.629 CC(=O)NC1=Cc2ccccc2C1C Amb27596703 [0,1,0,0,0,1|2,0,0]=4 3176 B15R2.629 CC(=O)Oc1nc2ccccc2n1C Amb28315019 [0,1,0,0,0,1|2,0,0]=4 3177 B15R2.629 CC(=O)\C=C1/Cc2ccccc2C1=O Amb22343086 [0,1,0,0,0,1|2,0,0]=4 3178 B15R2.629 CC(=O)\C=C1/Sc2ccccc2N1C Amb22346129 [0,1,0,0,0,1|2,0,0]=4 3179 B15R2.629 CC(=O)\C=c1\sc2ccccc2n1C Amb1349038 [0,1,0,0,0,1|2,0,0]=4 3180 B15R2.629 CC(O)Cc1cc2ccccc2n1C Amb27223451 [0,1,0,0,0,1|1,0,1]=4 3181 B15R2.629 CC1\C(=C\C(=O)O)Cc2ccccc21 Amb35671922 [0,1,0,0,0,1|1,0,1]=4 3182 B15R2.629 CN(O)Cc1cc2ccccc2n1C Amb33344812 [0,1,0,0,0,1|2,0,0]=4 3183 B15R2.629 CN1c2ccccc2CC1CC(=O)O Amb18818560 [0,1,0,0,0,1|0,0,2]=4 3184 B15R2.629 C[C@@H](O)Cc1cc2ccccc2n1C Amb33343656 [0,1,0,0,0,1|1,0,1]=4 3185 B15R2.629 C[C@H](O)Cc1cc2ccccc2n1C Amb33343657 [0,1,0,0,0,1|1,0,1]=4 3186 B15R2.629 Cc1c(CC(=O)O)nc2ccccn12 Amb8009920 [0,1,0,0,0,1|1,0,1]=4 3187 B15R2.629 Cc1c(CC(=O)O)oc2ccccc12 Amb18055197 [0,1,0,0,0,1|1,0,0]=3 3188 B15R2.629 Cc1c(CC(=O)O)sc2ccccc12 Amb2753770 [0,1,0,0,0,1|1,0,0]=3 3189 B15R2.629 Cc1c(CC(N)=O)oc2ccccc12 Amb18055208 [0,1,0,0,0,1|2,0,0]=4 3190 B15R2.629 Cn1c(CC(=N)N)cc2ccccc21 Amb33143022 [0,1,0,0,0,1|2,0,0]=4 3191 B15R2.629 Cn1c(CC(=O)O)cc2ccccc21 Amb2616501 [0,1,0,0,0,1|0,0,0]=2 3192 B15R2.629 Cn1c(CC(=O)O)cc2cccnc21 Amb18819555 [0,1,0,0,0,1|1,0,0]=3 3193 B15R2.629 Cn1c(CC(=O)O)cc2ccncc21 Amb18819558 [0,1,0,0,0,1|1,0,0]=3 3194 B15R2.629 Cn1c(CC(=O)O)cc2ncccc21 Amb18819559 [0,1,0,0,0,1|1,0,0]=3 3195 B15R2.629 Cn1c(CC(=O)O)nc2ccccc21 Amb17063603 [0,1,0,0,0,1|1,0,0]=3 3196 B15R2.629 Cn1c(CC(=O)O)nc2cccnc21 Amb18863597 [0,1,0,0,0,1|2,0,0]=4 3197 B15R2.629 Cn1c(CC(=O)[O-])nc2ccccc21 Amb32663116 [0,1,0,0,0,1|1,0,1]=4 3198 B15R2.629 Cn1c(CC(N)=O)nc2ccccc21 Amb27450213 [0,1,0,0,0,1|2,0,0]=4 3199 B15R2.629 Cn1c(CC(N)=S)cc2ccccc21 Amb33142748 [0,1,0,0,0,1|1,1,0]=4 3200 B15R2.629 Cn1c(C[N+](=O)[O-])cc2ccccc21 Amb33343641 [0,1,0,0,0,1|1,0,1]=4 3201 B15R2.629 NC(=O)\C=C1/Cc2ccccc2C1=O Amb27393156 [0,1,0,0,0,1|2,0,0]=4 3202 B15R2.629 NC(=O)\C=C1\Cc2ccccc2C1=O Amb27625101 [0,1,0,0,0,1|2,0,0]=4 3203 B15R2.629 Nc1c(CC(=O)O)nc2ccccn12 Amb18112984 [0,1,0,0,0,1|1,0,1]=4 3204 B15R2.629 O=C(O)CC1Cc2ccccc2C1=O Amb7090706 [0,1,0,0,0,1|1,0,1]=4 3205 B15R2.629 O=C(O)CN1Cc2ccccc2C1=O Amb1971486 [0,1,0,0,0,1|2,0,0]=4 3206 B15R2.629 O=C(O)CN1Nc2ccccc2C1=O Amb19516941 [0,1,0,0,0,1|1,0,0]=3 3207 B15R2.629 O=C(O)CN1Oc2ccccc2C1=O Amb27816666 [0,1,0,0,0,1|2,0,0]=4 3208 B15R2.629 O=C(O)CN1Sc2ccccc2C1=O Amb19120051 [0,1,0,0,0,1|2,0,0]=4 3209 B15R2.629 O=C(O)Cc1nc2ccccn2c1Br Amb33457403 [0,1,0,0,0,1|1,0,1]=4 3210 B15R2.629 O=C(O)Cc1oc2ccccc2c1Br Amb27638303 [0,1,0,0,0,1|1,0,0]=3 3211 B15R2.629 O=C(O)Cc1sc2ccccc2c1Br Amb22452945 [0,1,0,0,0,1|1,0,0]=3 3212 B15R2.629 O=C(O)Cc1sc2ccccc2c1Cl Amb26594342 [0,1,0,0,0,1|1,0,0]=3 3213 B15R2.629 O=C(O)\C=C1\Cc2ccccc2C1=O Amb26621303 [0,1,0,0,0,1|1,0,0]=3 3214 B15R2.1569 COC(=O)C=C1Cc2ccccc2C1 Amb25138575 [0,1,0,0,0,1|1,0,1]=4 3215 B15R2.1569 COC(=O)CC1=Cc2ccccc2C1 Amb27468510 [0,1,0,0,0,1|1,0,0]=3 3216 B15R2.1569 COC(=O)CC1Cc2ccccc2N1 Amb26421319 [0,1,0,0,0,1|0,0,2]=4 3217 B15R2.1569 COC(=O)Cc1cn2ccccc2n1 Amb18419763 [0,1,0,0,0,1|1,0,1]=4 3218 B15R2.1569 COC(=O)Cc1cn2ccccc2n1 Amb35751886 [0,1,0,0,0,1|1,0,1]=4 3219 B15R2.1569 COC(=O)Cc1nc2ccccc2o1 Amb22755647 [0,1,0,0,0,1|1,0,1]=4 3220 B15R2.1569 COC(=O)NC1=Cc2ccccc2C1 Amb27788809 [0,1,0,0,0,1|1,0,0]=3 3221 B15R2.1569 COC(=O)Nc1cc2ccccc2o1 Amb27237562 [0,1,0,0,0,1|1,0,0]=3 3222 B15R2.1569 COC(=O)Nc1nc2ccccc2s1 Amb3360970 [0,1,0,0,0,1|1,0,1]=4 3223 B15R2.1569 O=C(CCl)\N=C1/Nc2ccccc2S1 Amb22567185 [0,1,0,0,0,1|2,0,0]=4 3224 B15R2.1569 O=C(CO)Nc1nc2ccccc2s1 Amb1111181 [0,1,0,0,0,1|1,0,1]=4 3225 B15R2.4244 C=C(C(=O)O)c1cc2ccccc2s1 Amb33312820 [0,1,0,0,0,1|1,0,0]=3 3226 B15R2.4244 C=C(C(=O)O)c1cn2ccccc2n1 Amb33447318 [0,1,0,0,0,1|1,0,1]=4 3227 B15R2.4244 C=C(C(=O)O)c1nc2ccccc2s1 Amb33274276 [0,1,0,0,0,1|1,0,1]=4 3228 B15R2.4244 CC(=O)C(C)c1cc2ccccc2s1 Amb24638578 [0,1,0,0,0,1|2,0,0]=4 3229 B15R2.4244 CC(C(=O)Cl)c1cc2ccccc2o1 Amb27962487 [0,1,0,0,0,1|2,0,0]=4 3230 B15R2.4244 CC(C(=O)O)=C1Cc2ccccc2C1 Amb27495353 [0,1,0,0,0,1|1,0,1]=4 3231 B15R2.4244 CC(C(=O)O)C1Cc2ccccc2N1 Amb27647122 [0,1,0,0,0,1|0,0,2]=4 3232 B15R2.4244 CC(C(=O)O)c1cc2ccccc2o1 Amb18952035 [0,1,0,0,0,1|1,0,0]=3 3233 B15R2.4244 CC(C(=O)O)c1cc2ccccc2s1 Amb2642832 [0,1,0,0,0,1|1,0,0]=3 3234 B15R2.4244 CC(C(=O)O)c1cc2ccccn2n1 Amb18650446 [0,1,0,0,0,1|1,0,1]=4 3235 B15R2.4244 CC(C(=O)O)c1cn2ccccc2n1 Amb22448840 [0,1,0,0,0,1|1,0,1]=4 3236 B15R2.4244 CC(C(=O)O)c1nc2ccccc2s1 Amb24337029 [0,1,0,0,0,1|1,0,1]=4 3237 B15R2.4244 CC(C(=O)O)n1cc2ccccc2n1 Amb19375241 [0,1,0,0,0,1|1,0,1]=4 3238 B15R2.4244 NC(C(=O)O)C1=Cc2ccccc2C1 Amb28146746 [0,1,0,0,0,1|1,0,0]=3 3239 B15R2.4244 NC(C(=O)O)c1cc2ccccc2o1 Amb26967553 [0,1,0,0,0,1|1,0,0]=3 3240 B15R2.4244 NC(C(=O)O)c1cc2ccccc2s1 Amb3941913 [0,1,0,0,0,1|1,0,0]=3 3241 B15R2.4244 NC(C(=O)O)c1cc2ccccn2n1 Amb27755419 [0,1,0,0,0,1|1,0,1]=4 3242 B15R2.4244 NC(C(=O)O)c1cn2ccccc2n1 Amb33148529 [0,1,0,0,0,1|1,0,1]=4 3243 B15R2.4244 NC(C(=O)O)c1nc2ccccc2s1 Amb25743388 [0,1,0,0,0,1|1,0,1]=4 3244 B15R2.4244 N[C@@H](C(=O)O)c1cc2ccccc2o1 Amb24712171 [0,1,0,0,0,1|1,0,0]=3 3245 B15R2.4244 N[C@@H](C(=O)O)c1cc2ccccc2s1 Amb27160016 [0,1,0,0,0,1|1,0,0]=3 3246 B15R2.4244 N[C@H](C(=O)O)c1cc2ccccc2o1 Amb25167608 [0,1,0,0,0,1|1,0,0]=3 3247 B15R2.4244 N[C@H](C(=O)O)c1cc2ccccc2s1 Amb26326610 [0,1,0,0,0,1|1,0,0]=3 3248 B15R2.4244 O=C(Cl)C(=O)c1cc2ccccc2o1 Amb25883467 [0,1,0,0,0,1|2,0,0]=4 3249 B15R2.4244 O=C(O)C(=O)c1cc2ccccc2s1 Amb33195555 [0,1,0,0,0,1|1,0,0]=3 3250 B15R2.4244 O=C(O)C(=O)c1cn2ccccc2n1 Amb26636279 [0,1,0,0,0,1|1,0,1]=4 3251 B15R2.4244 O=C(O)C(=O)c1nc2ccccc2o1 Amb28044095 [0,1,0,0,0,1|1,0,1]=4 3252 B15R2.4244 O=C(O)C(=O)c1nc2ccccc2s1 Amb25190846 [0,1,0,0,0,1|1,0,1]=4 3253 B15R2.4244 O=C(O)C(F)c1cc2ccccc2o1 Amb28351792 [0,1,0,0,0,1|1,0,0]=3 3254 B15R2.4244 O=C(O)C(O)c1cc2ccccc2s1 Amb27166052 [0,1,0,0,0,1|1,0,0]=3 3255 B15R2.4244 O=C(O)C(O)c1cn2ccccc2n1 Amb33148273 [0,1,0,0,0,1|1,0,1]=4 3256 B15R2.4244 O=C(O)C(O)c1nc2ccccc2s1 Amb25365081 [0,1,0,0,0,1|1,0,1]=4 3257 B15R2.7252 CC(=O)\C=C1\Nc2cc(C)ccc2O1 Amb23183816 [0,1,0,0,0,1|2,0,0]=4 3258 B15R2.7252 CC(=O)\C=C1\Nc2cc(Cl)ccc2O1 Amb23183814 [0,1,0,0,0,1|2,0,0]=4 3259 B15R2.7252 Cc1ccc2cc(CC(=O)O)oc2c1 Amb7094250 [0,1,0,0,0,1|1,0,0]=3 3260 B15R2.7252 Cc1ccc2cn(CC(=O)O)nc2c1 Amb23440903 [0,1,0,0,0,1|1,0,1]=4 3261 B15R2.7252 Cc1ccc2nc(CC(=O)O)cn2c1 Amb8928948 [0,1,0,0,0,1|1,0,1]=4 3262 B15R2.7252 Cc1ccc2nc(CC(=O)O)oc2c1 Amb18818934 [0,1,0,0,0,1|1,0,1]=4 3263 B15R2.7252 Cc1ccc2nc(CC(=O)O)sc2c1 Amb18779194 [0,1,0,0,0,1|1,0,1]=4 3264 B15R2.7252 Cc1ccc2nn(CC(=O)O)cc2c1 Amb28249982 [0,1,0,0,0,1|1,0,1]=4 3265 B15R2.7252 Cc1ccc2oc(CC(=O)O)cc2c1 Amb7094259 [0,1,0,0,0,1|1,0,0]=3 3266 B15R2.7252 Cc1ccc2sc(CC(=O)O)nc2c1 Amb18952390 [0,1,0,0,0,1|1,0,1]=4 3267 B15R2.7252 Cc1ccn2cc(CC(=O)O)nc2c1 Amb17041335 [0,1,0,0,0,1|1,0,1]=4 3268 B15R2.7252 Cc1ccn2nc(CC(=O)O)cc2c1 Amb18819567 [0,1,0,0,0,1|1,0,1]=4 3269 B15R2.7252 Nc1ccc2cc(CC(=O)O)oc2c1 Amb18818913 [0,1,0,0,0,1|1,0,0]=3 3270 B15R2.7252 Nc1ccc2cn(CC(=O)O)nc2c1 Amb32685254 [0,1,0,0,0,1|1,0,1]=4 3271 B15R2.7252 Nc1ccc2nc(CC(=O)O)cn2c1 Amb17506217 [0,1,0,0,0,1|1,0,1]=4 3272 B15R2.7252 Nc1ccc2nc(CC(=O)O)oc2c1 Amb26424605 [0,1,0,0,0,1|1,0,1]=4 3273 B15R2.7252 Nc1ccc2oc(CC(=O)O)nc2c1 Amb18817805 [0,1,0,0,0,1|1,0,1]=4 3274 B15R2.7252 Nc1ccc2sc(CC(=O)O)nc2c1 Amb18777478 [0,1,0,0,0,1|1,0,1]=4 3275 B15R2.7252 O=C(O)CC1=Cc2ccc(F)cc2C1 Amb27667264 [0,1,0,0,0,1|1,0,0]=3 3276 B15R2.7252 O=C(O)Cc1cc2cc(Br)ccc2o1 Amb7094302 [0,1,0,0,0,1|1,0,0]=3 3277 B15R2.7252 O=C(O)Cc1cc2cc(Cl)ccc2o1 Amb7094294 [0,1,0,0,0,1|1,0,0]=3 3278 B15R2.7252 O=C(O)Cc1cc2cc(Cl)ccc2s1 Amb4056685 [0,1,0,0,0,1|1,0,0]=3 3279 B15R2.7252 O=C(O)Cc1cc2cc(F)ccc2o1 Amb17334015 [0,1,0,0,0,1|1,0,0]=3 3280 B15R2.7252 O=C(O)Cc1cc2nc(Cl)ccc2s1 Amb33221053 [0,1,0,0,0,1|2,0,0]=4 3281 B15R2.7252 O=C(O)Cc1cn2cc(Br)ccc2n1 Amb8928946 [0,1,0,0,0,1|1,0,1]=4 3282 B15R2.7252 O=C(O)Cc1cn2cc(Cl)ccc2n1 Amb17041336 [0,1,0,0,0,1|1,0,1]=4 3283 B15R2.7252 O=C(O)Cc1cn2cc(Cl)ccc2n1 Amb2436424 [0,1,0,0,0,1|1,0,1]=4 3284 B15R2.7252 O=C(O)Cc1cn2cc(F)ccc2n1 Amb17212421 [0,1,0,0,0,1|1,0,1]=4 3285 B15R2.7252 O=C(O)Cc1cn2cc(F)ccc2n1 Amb22049916 [0,1,0,0,0,1|1,0,1]=4 3286 B15R2.7252 O=C(O)Cc1cn2ccc(Br)cc2n1 Amb16230789 [0,1,0,0,0,1|1,0,1]=4 3287 B15R2.7252 O=C(O)Cc1cn2ccc(Cl)cc2n1 Amb16230787 [0,1,0,0,0,1|1,0,1]=4 3288 B15R2.7252 O=C(O)Cc1cn2ccc(F)cc2n1 Amb28055953 [0,1,0,0,0,1|1,0,1]=4 3289 B15R2.7252 O=C(O)Cc1nc2cc(Br)ccc2o1 Amb18692953 [0,1,0,0,0,1|1,0,1]=4 3290 B15R2.7252 O=C(O)Cc1nc2cc(Br)ccc2s1 Amb18152501 [0,1,0,0,0,1|1,0,1]=4 3291 B15R2.7252 O=C(O)Cc1nc2cc(Cl)ccc2o1 Amb3524335 [0,1,0,0,0,1|1,0,1]=4 3292 B15R2.7252 O=C(O)Cc1nc2cc(F)ccc2o1 Amb26974604 [0,1,0,0,0,1|1,0,1]=4 3293 B15R2.7252 O=C(O)Cc1nc2cc(F)ccc2s1 Amb18952391 [0,1,0,0,0,1|1,0,1]=4 3294 B15R2.7252 O=C(O)Cc1nc2cc(O)ccc2o1 Amb26532888 [0,1,0,0,0,1|1,0,1]=4 3295 B15R2.7252 O=C(O)Cc1nc2cc(O)ccc2s1 Amb26839260 [0,1,0,0,0,1|1,0,1]=4 3296 B15R2.7252 O=C(O)Cc1nc2ccc(Br)cc2o1 Amb18692954 [0,1,0,0,0,1|1,0,1]=4 3297 B15R2.7252 O=C(O)Cc1nc2ccc(Cl)cc2o1 Amb26906425 [0,1,0,0,0,1|1,0,1]=4 3298 B15R2.7252 O=C(O)Cc1nc2ccc(I)cc2o1 Amb27445731 [0,1,0,0,0,1|1,0,1]=4 3299 B15R2.7252 O=C(O)Cc1nc2ccc(O)cc2o1 Amb25352018 [0,1,0,0,0,1|1,0,1]=4 3300 B15R2.7252 O=C(O)Cc1nc2ccc(O)cc2s1 Amb26868871 [0,1,0,0,0,1|1,0,1]=4 3301 B15R2.7252 O=C(O)Cc1nc2ccc(S)cc2o1 Amb27462254 [0,1,0,0,0,1|1,0,1]=4 3302 B15R2.7252 O=C(O)Cn1cc2cc(Cl)ccc2n1 Amb25738667 [0,1,0,0,0,1|1,0,1]=4 3303 B15R2.7252 O=C(O)Cn1cc2ccc(Br)cc2n1 Amb27495719 [0,1,0,0,0,1|1,0,1]=4 3304 B15R2.7252 O=C(O)Cn1cc2ccc(F)cc2n1 Amb28318176 [0,1,0,0,0,1|1,0,1]=4 3305 B15R2.13461 CC(=O)Oc1cc2cccc(C)c2s1 Amb27851726 [0,1,0,0,0,1|2,0,0]=4 3306 B15R2.13461 CC(=O)\C=C1\Nc2cccc(C)c2O1 Amb23183830 [0,1,0,0,0,1|2,0,0]=4 3307 B15R2.13461 Cc1cccc2cc(CC(=O)O)oc12 Amb7094241 [0,1,0,0,0,1|1,0,0]=3 3308 B15R2.13461 Cc1cccc2cn(CC(=O)O)nc12 Amb26844360 [0,1,0,0,0,1|1,0,1]=4 3309 B15R2.13461 Cc1cccc2nc(CC(=O)O)cn12 Amb8928947 [0,1,0,0,0,1|1,0,1]=4 3310 B15R2.13461 Cc1cccc2nc(CC(=O)O)oc12 Amb18818914 [0,1,0,0,0,1|1,0,1]=4 3311 B15R2.13461 Cc1cccc2nn(CC(=O)O)cc12 Amb24385474 [0,1,0,0,0,1|1,0,1]=4 3312 B15R2.13461 Cc1cccc2oc(CC(=O)O)nc12 Amb18818935 [0,1,0,0,0,1|1,0,1]=4 3313 B15R2.13461 Cc1cccc2sc(CC(=O)O)cc12 Amb27193900 [0,1,0,0,0,1|1,0,0]=3 3314 B15R2.13461 Cc1cccn2cc(CC(=O)O)nc12 Amb13952169 [0,1,0,0,0,1|1,0,1]=4 3315 B15R2.13461 Cc1cccn2cc(CC(=O)O)nc12 Amb8928945 [0,1,0,0,0,1|1,0,1]=4 3316 B15R2.13461 Nc1cccc2nc(CC(=O)O)oc12 Amb18817808 [0,1,0,0,0,1|1,0,1]=4 3317 B15R2.13461 Nc1cccc2nc(CC(=O)O)sc12 Amb18777475 [0,1,0,0,0,1|1,0,1]=4 3318 B15R2.13461 Nc1cccc2oc(CC(=O)O)nc12 Amb27209141 [0,1,0,0,0,1|1,0,1]=4 3319 B15R2.13461 O=C(O)CC1=Cc2cccc(F)c2C1 Amb27445726 [0,1,0,0,0,1|1,0,0]=3 3320 B15R2.13461 O=C(O)CC1Cc2c(F)cccc2N1 Amb27633277 [0,1,0,0,0,1|0,0,2]=4 3321 B15R2.13461 O=C(O)CC1Cc2cccc(F)c2N1 Amb28436465 [0,1,0,0,0,1|0,0,2]=4 3322 B15R2.13461 O=C(O)Cc1cc2cccc(Cl)c2o1 Amb17334026 [0,1,0,0,0,1|1,0,0]=3 3323 B15R2.13461 O=C(O)Cc1cc2cccc(F)c2o1 Amb18815473 [0,1,0,0,0,1|1,0,0]=3 3324 B15R2.13461 O=C(O)Cc1cn2c(Br)cccc2n1 Amb16230790 [0,1,0,0,0,1|1,0,1]=4 3325 B15R2.13461 O=C(O)Cc1cn2c(Cl)cccc2n1 Amb16230788 [0,1,0,0,0,1|1,0,1]=4 3326 B15R2.13461 O=C(O)Cc1cn2cccc(Br)c2n1 Amb17212396 [0,1,0,0,0,1|1,0,1]=4 3327 B15R2.13461 O=C(O)Cc1cn2cccc(O)c2n1 Amb17206323 [0,1,0,0,0,1|1,0,1]=4 3328 B15R2.13461 O=C(O)Cc1nc2c(Br)cccc2o1 Amb26653566 [0,1,0,0,0,1|1,0,1]=4 3329 B15R2.13461 O=C(O)Cc1nc2c(Cl)cccc2o1 Amb24507491 [0,1,0,0,0,1|1,0,1]=4 3330 B15R2.13461 O=C(O)Cc1nc2c(Cl)cccc2s1 Amb26581930 [0,1,0,0,0,1|1,0,1]=4 3331 B15R2.13461 O=C(O)Cc1nc2c(F)cccc2o1 Amb18814361 [0,1,0,0,0,1|1,0,1]=4 3332 B15R2.13461 O=C(O)Cc1nc2c(O)cccc2s1 Amb28397022 [0,1,0,0,0,1|1,0,1]=4 3333 B15R2.13461 O=C(O)Cc1nc2c(S)cccc2o1 Amb24697077 [0,1,0,0,0,1|1,0,1]=4 3334 B15R2.13461 O=C(O)Cc1nc2cccc(Br)c2o1 Amb26594480 [0,1,0,0,0,1|1,0,1]=4 3335 B15R2.13461 O=C(O)Cc1nc2cccc(Br)c2s1 Amb27654154 [0,1,0,0,0,1|1,0,1]=4 3336 B15R2.13461 O=C(O)Cc1nc2cccc(Cl)c2o1 Amb18772227 [0,1,0,0,0,1|1,0,1]=4 3337 B15R2.13461 O=C(O)Cc1nc2cccc(Cl)c2s1 Amb18952392 [0,1,0,0,0,1|1,0,1]=4 3338 B15R2.13461 O=C(O)Cc1nc2cccc(F)c2o1 Amb26537283 [0,1,0,0,0,1|1,0,1]=4 3339 B15R2.13461 O=C(O)Cc1nc2cccc(F)c2s1 Amb18773094 [0,1,0,0,0,1|1,0,1]=4 3340 B15R2.13461 O=C(O)Cc1nc2cccc(I)c2o1 Amb25268578 [0,1,0,0,0,1|1,0,1]=4 3341 B15R2.13461 O=C(O)Cc1nc2cccc(O)c2s1 Amb27238788 [0,1,0,0,0,1|1,0,1]=4 3342 B15R2.13461 O=C(O)Cc1nc2cccc(S)c2o1 Amb27428416 [0,1,0,0,0,1|1,0,1]=4 3343 B15R2.13461 O=C(O)Cn1cc2c(Cl)cccc2n1 Amb24699848 [0,1,0,0,0,1|1,0,1]=4 3344 B15R2.13461 O=C(O)Cn1cc2c(F)cccc2n1 Amb27635547 [0,1,0,0,0,1|1,0,1]=4 3345 B15R2.627 CC(=O)C1=CNc2ccccc2C1=O Amb21913726 [0,1,0,0,0,1|1,0,0]=3 3346 B15R2.627 CC(=O)c1ccc2ccccc2c1I Amb32719881 [0,1,0,0,0,1|2,0,0]=4 3347 B15R2.627 CC(=O)c1ccc2ccccc2c1N Amb25765176 [0,1,0,0,0,1|2,0,0]=4 3348 B15R2.627 CC(=O)c1ccc2ccccc2c1O Amb1804666 [0,1,0,0,0,1|2,0,0]=4 3349 B15R2.627 CC(=O)c1cnc2ccccc2c1C Amb26589941 [0,1,0,0,0,1|1,0,1]=4 3350 B15R2.627 CC(=O)c1cnc2ccccc2c1N Amb28397911 [0,1,0,0,0,1|1,0,1]=4 3351 B15R2.627 CC1=C(C(=O)O)CCc2ccccc21 Amb18649895 [0,1,0,0,0,1|1,0,0]=3 3352 B15R2.627 CN1c2ccccc2CCC1C(=O)O Amb23509209 [0,1,0,0,0,1|0,0,2]=4 3353 B15R2.627 CN1c2ccccc2OCC1C(=O)O Amb18061977 [0,1,0,0,0,1|0,0,2]=4 3354 B15R2.627 C[n+]1c(C(=O)[O-])ccc2ccccc21 Amb27252146 [0,1,0,0,0,1|0,0,2]=4 3355 B15R2.627 Cc1c(C(=O)Cl)ccc2ccccc12 Amb24436049 [0,1,0,0,0,1|2,0,0]=4 3356 B15R2.627 Cc1c(C(=O)O)ccc2ccccc12 Amb17778340 [0,1,0,0,0,1|1,0,0]=3 3357 B15R2.627 Cc1c(C(=O)O)cnc2ccccc12 Amb20622350 [0,1,0,0,0,1|0,0,1]=3 3358 B15R2.627 NC(=O)C1=C(N)c2ccccc2CC1 Amb27631456 [0,1,0,0,0,1|2,0,0]=4 3359 B15R2.627 NC(=O)C1=CNc2ccccc2C1=O Amb33551808 [0,1,0,0,0,1|1,0,0]=3 3360 B15R2.627 NC(=O)C1=COc2ccccc2C1=O Amb28119920 [0,1,0,0,0,1|2,0,0]=4 3361 B15R2.627 NC(=O)c1ccc2ccccc2c1O Amb6671845 [0,1,0,0,0,1|2,0,0]=4 3362 B15R2.627 NC(=O)c1cnc2ccccc2c1Cl Amb22497990 [0,1,0,0,0,1|1,0,1]=4 3363 B15R2.627 NC(=O)c1cnc2ccccc2c1N Amb27239918 [0,1,0,0,0,1|1,0,1]=4 3364 B15R2.627 NC(=O)c1nnc2ccccc2c1N Amb2744147 [0,1,0,0,0,1|1,0,1]=4 3365 B15R2.627 NC(=O)c1nnc2ccccc2c1S Amb28074067 [0,1,0,0,0,1|1,0,1]=4 3366 B15R2.627 Nc1c(C(=O)Cl)ccc2ccccc12 Amb25696558 [0,1,0,0,0,1|2,0,0]=4 3367 B15R2.627 Nc1c(C(=O)O)ccc2ccccc12 Amb7784297 [0,1,0,0,0,1|1,0,0]=3 3368 B15R2.627 Nc1c(C(=O)O)ccc2cccnc12 Amb7784323 [0,1,0,0,0,1|2,0,0]=4 3369 B15R2.627 Nc1c(C(=O)O)ccc2ccncc12 Amb27644936 [0,1,0,0,0,1|2,0,0]=4 3370 B15R2.627 Nc1c(C(=O)O)cnc2ccccc12 Amb7094225 [0,1,0,0,0,1|0,0,1]=3 3371 B15R2.627 Nc1c(C(=O)O)ncc2ccccc12 Amb24466390 [0,1,0,0,0,1|0,0,1]=3 3372 B15R2.627 Nc1c(C(=O)O)nnc2ccccc12 Amb18820609 [0,1,0,0,0,1|0,0,1]=3 3373 B15R2.627 O=C(Cl)C1=CNc2ccccc2C1=O Amb25756009 [0,1,0,0,0,1|1,0,0]=3 3374 B15R2.627 O=C(Cl)c1ccc2ccccc2c1Cl Amb26505164 [0,1,0,0,0,1|2,0,0]=4 3375 B15R2.627 O=C(Cl)c1ccc2ccccc2c1O Amb6743393 [0,1,0,0,0,1|2,0,0]=4 3376 B15R2.627 O=C(O)C1=CC=C2C=CC=CN2C1=O Amb18061848 [0,1,0,0,0,1|2,0,0]=4 3377 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O Amb18035152 [0,1,0,0,0,1|1,0,1]=4 3378 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O Amb19372657 [0,1,0,0,0,1|1,0,1]=4 3379 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O Amb21894991 [0,1,0,0,0,1|1,0,1]=4 3380 B15R2.627 O=C(O)C1=CNc2ccccc2C1=O Amb18012728 [0,1,0,0,0,1|0,0,0]=2 3381 B15R2.627 O=C(O)C1=CNc2cccnc2C1=O Amb18650328 [0,1,0,0,0,1|1,0,0]=3 3382 B15R2.627 O=C(O)C1=CNc2cncnc2C1=O Amb18819013 [0,1,0,0,0,1|2,0,0]=4 3383 B15R2.627 O=C(O)C1=CNc2ncccc2C1=O Amb18819829 [0,1,0,0,0,1|1,0,0]=3 3384 B15R2.627 O=C(O)C1=COc2ccccc2C1=O Amb19078127 [0,1,0,0,0,1|1,0,0]=3 3385 B15R2.627 O=C(O)C1=COc2ccccc2C1O Amb27213020 [0,1,0,0,0,1|1,0,0]=3 3386 B15R2.627 O=C(O)C1=CSc2ncccc2C1=O Amb24330518 [0,1,0,0,0,1|2,0,0]=4 3387 B15R2.627 O=C(O)C1=NN=C2C=CC=CN2C1=O Amb24330537 [0,1,0,0,0,1|1,0,1]=4 3388 B15R2.627 O=C(O)C1=NNc2ccccc2C1=O Amb18650330 [0,1,0,0,0,1|0,0,0]=2 3389 B15R2.627 O=C(O)C1CNc2ccccc2C1O Amb27470172 [0,1,0,0,0,1|0,0,2]=4 3390 B15R2.627 O=C(O)c1ccc2ccccc2c1Br Amb2747997 [0,1,0,0,0,1|1,0,0]=3 3391 B15R2.627 O=C(O)c1ccc2ccccc2c1F Amb22547099 [0,1,0,0,0,1|1,0,0]=3 3392 B15R2.627 O=C(O)c1ccc2ccccc2c1I Amb25994147 [0,1,0,0,0,1|1,0,0]=3 3393 B15R2.627 O=C(O)c1ccc2ccccc2c1O Amb1211923 [0,1,0,0,0,1|1,0,0]=3 3394 B15R2.627 O=C(O)c1ccc2ccccc2c1S Amb24733955 [0,1,0,0,0,1|1,0,0]=3 3395 B15R2.627 O=C(O)c1ccc2cccnc2c1Br Amb23441935 [0,1,0,0,0,1|2,0,0]=4 3396 B15R2.627 O=C(O)c1ccc2cccnc2c1O Amb10603943 [0,1,0,0,0,1|2,0,0]=4 3397 B15R2.627 O=C(O)c1ccc2cnccc2c1O Amb24336790 [0,1,0,0,0,1|2,0,0]=4 3398 B15R2.627 O=C(O)c1ccc2ncccc2c1Cl Amb24374526 [0,1,0,0,0,1|2,0,0]=4 3399 B15R2.627 O=C(O)c1ccc2ncccc2c1F Amb26510956 [0,1,0,0,0,1|2,0,0]=4 3400 B15R2.627 O=C(O)c1ccc2ncccc2c1O Amb26979717 [0,1,0,0,0,1|2,0,0]=4 3401 B15R2.627 O=C(O)c1cnc2ccccc2c1Br Amb22276938 [0,1,0,0,0,1|0,0,1]=3 3402 B15R2.627 O=C(O)c1cnc2ccccc2c1Cl Amb20248151 [0,1,0,0,0,1|0,0,1]=3 3403 B15R2.627 O=C(O)c1cnc2ccccc2c1O Amb1994675 [0,1,0,0,0,1|0,0,1]=3 3404 B15R2.627 O=C(O)c1cnc2ccncc2c1Br Amb32418922 [0,1,0,0,0,1|1,0,1]=4 3405 B15R2.627 O=C(O)c1ncc2ccccc2c1O Amb18650064 [0,1,0,0,0,1|0,0,1]=3 3406 B15R2.627 O=C(O)c1ncc2cccnc2c1O Amb27471749 [0,1,0,0,0,1|1,0,1]=4 3407 B15R2.627 O=C(O)c1ncc2ncccc2c1Br Amb7101484 [0,1,0,0,0,1|1,0,1]=4 3408 B15R2.627 O=C(O)c1ncc2ncccc2c1O Amb18650325 [0,1,0,0,0,1|1,0,1]=4 3409 B15R2.627 O=C(O)c1nnc2ccccc2c1Cl Amb28401395 [0,1,0,0,0,1|0,0,1]=3 3410 B15R2.627 O=C([O-])C1=COc2ccccc2C1=O Amb33513231 [0,1,0,0,0,1|1,0,1]=4 3411 B15R2.627 O=C([O-])c1cnc2ccccc2c1Br Amb33620629 [0,1,0,0,0,1|0,0,2]=4 3412 B15R2.627 O=C([O-])c1cnc2ccccc2c1Cl Amb33328829 [0,1,0,0,0,1|0,0,2]=4 3413 B15R2.627 O=C1C(=C(O)O)N=Cc2ccccc21 Amb27254347 [0,1,0,0,0,1|0,0,2]=4 3414 B15R2.627 O=C1C([N+](=O)[O-])=CNc2ccccc21 Amb19650741 [0,1,0,0,0,1|1,0,1]=4 3415 B15R2.984 CC(=O)C1=C(C)Nc2ccccc2S1 Amb6358222 [0,1,0,0,0,1|2,0,0]=4 3416 B15R2.984 CC(=O)C1=Cc2ccccc2OC1=O Amb18364021 [0,1,0,0,0,1|2,0,0]=4 3417 B15R2.984 CC(=O)C1=Cc2ccccc2OC1=S Amb28192329 [0,1,0,0,0,1|2,0,0]=4 3418 B15R2.984 CC(=O)C1=Cc2cnccc2NC1=O Amb19882339 [0,1,0,0,0,1|2,0,0]=4 3419 B15R2.984 CC(=O)c1cc2ccccc2cc1N Amb18129530 [0,1,0,0,0,1|2,0,0]=4 3420 B15R2.984 CC(=O)c1cc2ccccc2cc1O Amb18129613 [0,1,0,0,0,1|2,0,0]=4 3421 B15R2.984 CC(=O)c1cc2ccccc2nc1C Amb25703558 [0,1,0,0,0,1|1,0,1]=4 3422 B15R2.984 CC(=O)c1cc2ccccc2nc1Cl Amb5755987 [0,1,0,0,0,1|1,0,1]=4 3423 B15R2.984 CC(=O)c1cc2ccccc2nc1I Amb27200705 [0,1,0,0,0,1|1,0,1]=4 3424 B15R2.984 CC(=O)c1cc2ccccc2nc1N Amb24453452 [0,1,0,0,0,1|1,0,1]=4 3425 B15R2.984 CC(=O)c1cc2ccccc2nc1O Amb22396163 [0,1,0,0,0,1|1,0,1]=4 3426 B15R2.984 CC(=O)c1nc2ccccc2cc1C Amb22498218 [0,1,0,0,0,1|1,0,1]=4 3427 B15R2.984 CC(=O)c1nc2ccccc2nc1C Amb9828127 [0,1,0,0,0,1|1,0,1]=4 3428 B15R2.984 CC(O)C1=Cc2ccccc2NC1=O Amb18015645 [0,1,0,0,0,1|1,0,1]=4 3429 B15R2.984 CC1=C(C(=O)O)Cc2ccccc2O1 Amb19148851 [0,1,0,0,0,1|1,0,0]=3 3430 B15R2.984 CC1=C(C(=O)O)Oc2ccccc2O1 Amb27758585 [0,1,0,0,0,1|1,0,0]=3 3431 B15R2.984 CC1=C(C(=O)O)Sc2ccccc2N1 Amb845511 [0,1,0,0,0,1|1,0,0]=3 3432 B15R2.984 CC1Nc2ccccc2OC1C(=O)O Amb27483230 [0,1,0,0,0,1|1,0,1]=4 3433 B15R2.984 CC1Oc2ccccc2C=C1C(=O)O Amb24331389 [0,1,0,0,0,1|1,0,0]=3 3434 B15R2.984 CN1Cc2ccccc2CC1C(=O)O Amb17622299 [0,1,0,0,0,1|0,0,2]=4 3435 B15R2.984 CN1Cc2ccccc2CC1C(=O)O Amb29083373 [0,1,0,0,0,1|0,0,2]=4 3436 B15R2.984 CN1Cc2ccccc2CC1C(=O)O Amb9776228 [0,1,0,0,0,1|0,0,2]=4 3437 B15R2.984 CN1Cc2ccccc2C[C@@H]1C(=O)O Amb27253174 [0,1,0,0,0,1|0,0,2]=4 3438 B15R2.984 CN1Cc2ccccc2C[C@H]1C(=O)O Amb27956847 [0,1,0,0,0,1|0,0,2]=4 3439 B15R2.984 C[n+]1cc2ccccc2cc1C(=O)[O-] Amb26641795 [0,1,0,0,0,1|0,0,2]=4 3440 B15R2.984 Cc1cc2ccccc2cc1C(=O)Cl Amb27390033 [0,1,0,0,0,1|2,0,0]=4 3441 B15R2.984 Cc1cc2ccccc2cc1C(=O)O Amb10844302 [0,1,0,0,0,1|1,0,0]=3 3442 B15R2.984 Cc1cc2ccccc2nc1C(=O)O Amb18649515 [0,1,0,0,0,1|0,0,1]=3 3443 B15R2.984 Cc1cc2ccccc2nc1C(=O)O Amb30349337 [0,1,0,0,0,1|0,0,1]=3 3444 B15R2.984 Cc1cc2ccccc2nc1C(N)=O Amb22498478 [0,1,0,0,0,1|1,0,1]=4 3445 B15R2.984 Cc1cc2cccnc2nc1C(=O)O Amb32668048 [0,1,0,0,0,1|1,0,1]=4 3446 B15R2.984 Cc1cc2ccncc2nc1C(=O)O Amb32668057 [0,1,0,0,0,1|1,0,1]=4 3447 B15R2.984 Cc1cc2cnccc2nc1C(=O)O Amb8011460 [0,1,0,0,0,1|1,0,1]=4 3448 B15R2.984 Cc1nc2ccccc2cc1C(=O)O Amb1107297 [0,1,0,0,0,1|0,0,1]=3 3449 B15R2.984 Cc1nc2ccccc2cc1C(=O)O Amb82078 [0,1,0,0,0,1|0,0,1]=3 3450 B15R2.984 Cc1nc2ccccc2cc1C(N)=O Amb547839 [0,1,0,0,0,1|1,0,1]=4 3451 B15R2.984 Cc1nc2ccccc2nc1C(=O)O Amb5501637 [0,1,0,0,0,1|0,0,1]=3 3452 B15R2.984 Cc1nc2ccccc2nc1C(N)=O Amb20265895 [0,1,0,0,0,1|1,0,1]=4 3453 B15R2.984 Cc1nc2ccncc2cc1C(=O)O Amb2691475 [0,1,0,0,0,1|1,0,1]=4 3454 B15R2.984 Cc1nc2ncccc2cc1C(=O)O Amb10071253 [0,1,0,0,0,1|1,0,1]=4 3455 B15R2.984 Cc1nc2ncccc2cc1C(=O)O Amb2691467 [0,1,0,0,0,1|1,0,1]=4 3456 B15R2.984 N=C1Oc2ccccc2C=C1C(N)=O Amb19751870 [0,1,0,0,0,1|2,0,0]=4 3457 B15R2.984 NC(=O)C1=Cc2ccccc2OC1=O Amb19186060 [0,1,0,0,0,1|2,0,0]=4 3458 B15R2.984 NC(=O)C1=Nc2ccccc2NC1=O Amb20465774 [0,1,0,0,0,1|1,0,1]=4 3459 B15R2.984 NC(=O)c1cc2ccccc2cc1F Amb28141892 [0,1,0,0,0,1|2,0,0]=4 3460 B15R2.984 NC(=O)c1cc2ccccc2cc1N Amb18944638 [0,1,0,0,0,1|2,0,0]=4 3461 B15R2.984 NC(=O)c1cc2ccccc2cc1O Amb3941049 [0,1,0,0,0,1|2,0,0]=4 3462 B15R2.984 NC(=O)c1cc2ccccc2nc1Cl Amb24065586 [0,1,0,0,0,1|1,0,1]=4 3463 B15R2.984 NC(=O)c1cc2ccccc2nc1N Amb6315603 [0,1,0,0,0,1|1,0,1]=4 3464 B15R2.984 NC(=O)c1nc2ccccc2cc1N Amb23400354 [0,1,0,0,0,1|1,0,1]=4 3465 B15R2.984 NC(=O)c1nc2ccccc2nc1Cl Amb27189071 [0,1,0,0,0,1|1,0,1]=4 3466 B15R2.984 NC(=O)c1nc2ccccc2nc1N Amb2609365 [0,1,0,0,0,1|1,0,1]=4 3467 B15R2.984 Nc1cc2ccccc2cc1C(=O)Cl Amb28254245 [0,1,0,0,0,1|2,0,0]=4 3468 B15R2.984 Nc1cc2ccccc2cc1C(=O)O Amb1207395 [0,1,0,0,0,1|1,0,0]=3 3469 B15R2.984 Nc1cc2ccccc2nc1C(=O)O Amb23401877 [0,1,0,0,0,1|0,0,1]=3 3470 B15R2.984 Nc1cc2cccnc2nc1C(=O)O Amb34913283 [0,1,0,0,0,1|1,0,1]=4 3471 B15R2.984 Nc1nc2ccccc2cc1C(=O)O Amb17777636 [0,1,0,0,0,1|0,0,1]=3 3472 B15R2.984 Nc1nc2ccccc2cc1C(=O)[O-] Amb17777637 [0,1,0,0,0,1|0,0,2]=4 3473 B15R2.984 Nc1nc2ccccc2nc1C(=O)O Amb18650089 [0,1,0,0,0,1|0,0,1]=3 3474 B15R2.984 Nc1nc2ccncc2cc1C(=O)O Amb27975432 [0,1,0,0,0,1|1,0,1]=4 3475 B15R2.984 Nc1nc2ncccc2cc1C(=O)O Amb18650088 [0,1,0,0,0,1|1,0,1]=4 3476 B15R2.984 O=C(Cl)C1=Cc2ccccc2NC1=O Amb26332443 [0,1,0,0,0,1|1,0,0]=3 3477 B15R2.984 O=C(Cl)C1=Cc2ccccc2OC1=O Amb20246903 [0,1,0,0,0,1|2,0,0]=4 3478 B15R2.984 O=C(Cl)c1cc2ccccc2cc1Br Amb27952281 [0,1,0,0,0,1|2,0,0]=4 3479 B15R2.984 O=C(Cl)c1cc2ccccc2cc1F Amb24336383 [0,1,0,0,0,1|2,0,0]=4 3480 B15R2.984 O=C(Cl)c1cc2ccccc2cc1I Amb25906033 [0,1,0,0,0,1|2,0,0]=4 3481 B15R2.984 O=C(Cl)c1cc2ccccc2cc1O Amb17595532 [0,1,0,0,0,1|2,0,0]=4 3482 B15R2.984 O=C(Cl)c1cc2ccccc2nc1Cl Amb2724873 [0,1,0,0,0,1|1,0,1]=4 3483 B15R2.984 O=C(Cl)c1nc2ccccc2cc1O Amb27808978 [0,1,0,0,0,1|1,0,1]=4 3484 B15R2.984 O=C(Cl)c1nc2ccccc2nc1Cl Amb27612208 [0,1,0,0,0,1|1,0,1]=4 3485 B15R2.984 O=C(Cl)c1nc2ccccc2nc1O Amb25254894 [0,1,0,0,0,1|1,0,1]=4 3486 B15R2.984 O=C(O)C1=CN2C=CC=CC2=CC1=O Amb27650693 [0,1,0,0,0,1|2,0,0]=4 3487 B15R2.984 O=C(O)C1=Cc2ccccc2NC1=O Amb17933901 [0,1,0,0,0,1|0,0,0]=2 3488 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=O Amb17988932 [0,1,0,0,0,1|1,0,0]=3 3489 B15R2.984 O=C(O)C1=Cc2ccccc2OC1=S Amb27401176 [0,1,0,0,0,1|1,0,0]=3 3490 B15R2.984 O=C(O)C1=Cc2cccnc2NC1=O Amb18023998 [0,1,0,0,0,1|1,0,0]=3 3491 B15R2.984 O=C(O)C1=Cc2ccncc2NC1=O Amb27403180 [0,1,0,0,0,1|1,0,0]=3 3492 B15R2.984 O=C(O)C1=Cc2ccncc2OC1=O Amb18650693 [0,1,0,0,0,1|2,0,0]=4 3493 B15R2.984 O=C(O)C1=Cc2cnccc2NC1=O Amb23440666 [0,1,0,0,0,1|1,0,0]=3 3494 B15R2.984 O=C(O)C1=Cc2cncnc2NC1=O Amb25063144 [0,1,0,0,0,1|2,0,0]=4 3495 B15R2.984 O=C(O)C1=Nc2ccccc2NC1=O Amb19957530 [0,1,0,0,0,1|0,0,1]=3 3496 B15R2.984 O=C(O)C1=Nc2cccnc2NC1=O Amb24330521 [0,1,0,0,0,1|1,0,1]=4 3497 B15R2.984 O=C(O)C1=Nc2ncccc2NC1=O Amb24330707 [0,1,0,0,0,1|1,0,1]=4 3498 B15R2.984 O=C(O)C1Cc2ccccc2NC1=O Amb10603631 [0,1,0,0,0,1|0,0,2]=4 3499 B15R2.984 O=C(O)C1Cc2ccccc2OC1=O Amb18651015 [0,1,0,0,0,1|1,0,1]=4 3500 B15R2.984 O=C(O)C1Nc2ccccc2NC1=O Amb26005710 [0,1,0,0,0,1|0,0,1]=3 3501 B15R2.984 O=C(O)C1Oc2ccccc2NC1=O Amb17139383 [0,1,0,0,0,1|1,0,1]=4 3502 B15R2.984 O=C(O)[C@H]1Cc2ccccc2NC1=O Amb28118966 [0,1,0,0,0,1|0,0,2]=4 3503 B15R2.984 O=C(O)c1cc2ccccc2cc1Br Amb18667010 [0,1,0,0,0,1|1,0,0]=3 3504 B15R2.984 O=C(O)c1cc2ccccc2cc1Cl Amb18130974 [0,1,0,0,0,1|1,0,0]=3 3505 B15R2.984 O=C(O)c1cc2ccccc2cc1F Amb27160679 [0,1,0,0,0,1|1,0,0]=3 3506 B15R2.984 O=C(O)c1cc2ccccc2cc1I Amb9677501 [0,1,0,0,0,1|1,0,0]=3 3507 B15R2.984 O=C(O)c1cc2ccccc2cc1O Amb2714487 [0,1,0,0,0,1|1,0,0]=3 3508 B15R2.984 O=C(O)c1cc2ccccc2cc1S Amb17595442 [0,1,0,0,0,1|1,0,0]=3 3509 B15R2.984 O=C(O)c1cc2ccccc2nc1Br Amb25882734 [0,1,0,0,0,1|0,0,1]=3 3510 B15R2.984 O=C(O)c1cc2ccccc2nc1Cl Amb1106612 [0,1,0,0,0,1|0,0,1]=3 3511 B15R2.984 O=C(O)c1cc2ccccc2nc1O Amb17665422 [0,1,0,0,0,1|0,0,1]=3 3512 B15R2.984 O=C(O)c1cc2ccccc2nc1S Amb22396122 [0,1,0,0,0,1|0,0,1]=3 3513 B15R2.984 O=C(O)c1cc2cccnc2cc1Cl Amb27412424 [0,1,0,0,0,1|2,0,0]=4 3514 B15R2.984 O=C(O)c1cc2cccnc2cc1F Amb27614309 [0,1,0,0,0,1|2,0,0]=4 3515 B15R2.984 O=C(O)c1cc2cccnc2nc1Cl Amb26993912 [0,1,0,0,0,1|1,0,1]=4 3516 B15R2.984 O=C(O)c1cc2cnccc2cc1F Amb35788373 [0,1,0,0,0,1|2,0,0]=4 3517 B15R2.984 O=C(O)c1cc2ncccc2cc1Cl Amb35748157 [0,1,0,0,0,1|2,0,0]=4 3518 B15R2.984 O=C(O)c1cc2ncccc2cc1Cl Amb35748184 [0,1,0,0,0,1|2,0,0]=4 3519 B15R2.984 O=C(O)c1cc2ncccc2cc1O Amb23448900 [0,1,0,0,0,1|2,0,0]=4 3520 B15R2.984 O=C(O)c1nc2ccccc2cc1Br Amb25732803 [0,1,0,0,0,1|0,0,1]=3 3521 B15R2.984 O=C(O)c1nc2ccccc2cc1Cl Amb25183686 [0,1,0,0,0,1|0,0,1]=3 3522 B15R2.984 O=C(O)c1nc2ccccc2cc1F Amb22547385 [0,1,0,0,0,1|0,0,1]=3 3523 B15R2.984 O=C(O)c1nc2ccccc2cc1I Amb28245950 [0,1,0,0,0,1|0,0,1]=3 3524 B15R2.984 O=C(O)c1nc2ccccc2cc1S Amb18655001 [0,1,0,0,0,1|0,0,1]=3 3525 B15R2.984 O=C(O)c1nc2ccccc2nc1Cl Amb15701213 [0,1,0,0,0,1|0,0,1]=3 3526 B15R2.984 O=C(O)c1nc2ccccc2nc1O Amb1076430 [0,1,0,0,0,1|0,0,1]=3 3527 B15R2.984 O=C(O)c1nc2ncccc2cc1Br Amb2795055 [0,1,0,0,0,1|1,0,1]=4 3528 B15R2.984 O=C([O-])c1cc2ccccc2cc1O Amb22547753 [0,1,0,0,0,1|1,0,1]=4 3529 B15R2.984 O=C1Nc2ccccc2C=C1B(O)O Amb22372294 [0,1,0,0,0,1|1,0,1]=4 3530 B15R2.1601 C=C(CO)c1ccc2ccccc2c1 Amb28350200 [0,1,0,0,0,1|2,0,0]=4 3531 B15R2.1601 C=CC(=O)c1ccc2ccccc2c1 Amb21856049 [0,1,0,0,0,1|2,0,0]=4 3532 B15R2.1601 C=CC(=O)c1ccc2ccccc2n1 Amb26853011 [0,1,0,0,0,1|1,0,1]=4 3533 B15R2.1601 C=CC(=O)c1cnc2ccccc2c1 Amb27632542 [0,1,0,0,0,1|1,0,1]=4 3534 B15R2.1601 C=CC(=O)c1cnc2ccccc2n1 Amb27662888 [0,1,0,0,0,1|1,0,1]=4 3535 B15R2.1601 CCC(=O)c1cc2ccccc2cn1 Amb27872482 [0,1,0,0,0,1|1,0,1]=4 3536 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 Amb4017274 [0,1,0,0,0,1|2,0,0]=4 3537 B15R2.1601 CCC(=O)c1cnc2ccccc2n1 Amb27784833 [0,1,0,0,0,1|1,0,1]=4 3538 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 Amb8332527 [0,1,0,0,0,1|2,0,0]=4 3539 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 Amb8333498 [0,1,0,0,0,1|2,0,0]=4 3540 B15R2.1601 CNC(=O)c1cnc2ccccc2c1 Amb22584213 [0,1,0,0,0,1|1,0,1]=4 3541 B15R2.1601 CNC(=O)c1ncc2ccccc2n1 Amb28317890 [0,1,0,0,0,1|1,0,1]=4 3542 B15R2.1601 COC(=N)c1ccc2ccccc2c1 Amb18323196 [0,1,0,0,0,1|2,0,0]=4 3543 B15R2.1601 COC(=N)c1cnc2ccccc2c1 Amb27593742 [0,1,0,0,0,1|1,0,1]=4 3544 B15R2.1601 COC(=O)C1=CNc2ccccc2C1 Amb24727103 [0,1,0,0,0,1|0,0,1]=3 3545 B15R2.1601 COC(=O)C1=Cc2ccccc2CC1 Amb25938484 [0,1,0,0,0,1|1,0,0]=3 3546 B15R2.1601 COC(=O)C1=Cc2ccccc2OC1 Amb2424227 [0,1,0,0,0,1|1,0,0]=3 3547 B15R2.1601 COC(=O)C1=Cc2ccncc2CC1 Amb28324712 [0,1,0,0,0,1|2,0,0]=4 3548 B15R2.1601 COC(=O)C1=NOc2ccccc2C1 Amb26415216 [0,1,0,0,0,1|0,0,2]=4 3549 B15R2.1601 COC(=O)C1CCc2ccccc2N1 Amb2449505 [0,1,0,0,0,1|0,0,2]=4 3550 B15R2.1601 COC(=O)C1CCc2ccccc2N1 Amb535534 [0,1,0,0,0,1|0,0,2]=4 3551 B15R2.1601 COC(=O)C1CNc2ccccc2C1 Amb26497689 [0,1,0,0,0,1|0,0,2]=4 3552 B15R2.1601 COC(=O)C1CNc2ccccc2O1 Amb2370905 [0,1,0,0,0,1|1,0,1]=4 3553 B15R2.1601 COC(=O)C1CNc2ccccc2O1 Amb27886 [0,1,0,0,0,1|1,0,1]=4 3554 B15R2.1601 COC(=O)C1Cc2ccccc2CN1 Amb2693824 [0,1,0,0,0,1|0,0,2]=4 3555 B15R2.1601 COC(=O)C1Cc2ccccc2CN1 Amb9703015 [0,1,0,0,0,1|0,0,2]=4 3556 B15R2.1601 COC(=O)[C@@H]1CCc2ccccc2N1 Amb23401514 [0,1,0,0,0,1|0,0,2]=4 3557 B15R2.1601 COC(=O)[C@@H]1CCc2ccccc2N1 Amb8390590 [0,1,0,0,0,1|0,0,2]=4 3558 B15R2.1601 COC(=O)[C@@H]1CNc2ccccc2C1 Amb28255600 [0,1,0,0,0,1|0,0,2]=4 3559 B15R2.1601 COC(=O)[C@@H]1Cc2ccccc2CN1 Amb2690549 [0,1,0,0,0,1|0,0,2]=4 3560 B15R2.1601 COC(=O)[C@@H]1Cc2ccccc2CN1 Amb2700192 [0,1,0,0,0,1|0,0,2]=4 3561 B15R2.1601 COC(=O)[C@H]1CCc2ccccc2N1 Amb27773806 [0,1,0,0,0,1|0,0,2]=4 3562 B15R2.1601 COC(=O)[C@H]1CCc2ccccc2N1 Amb33871575 [0,1,0,0,0,1|0,0,2]=4 3563 B15R2.1601 COC(=O)[C@H]1Cc2ccccc2CN1 Amb22225138 [0,1,0,0,0,1|0,0,2]=4 3564 B15R2.1601 COC(=O)[C@H]1Cc2ccccc2CN1 Amb33757892 [0,1,0,0,0,1|0,0,2]=4 3565 B15R2.1601 COC(=O)c1cc2ccccc2cn1 Amb2722783 [0,1,0,0,0,1|0,0,1]=3 3566 B15R2.1601 COC(=O)c1cc2ccncc2cn1 Amb27417469 [0,1,0,0,0,1|1,0,1]=4 3567 B15R2.1601 COC(=O)c1ccc2ccccc2c1 Amb5721993 [0,1,0,0,0,1|1,0,0]=3 3568 B15R2.1601 COC(=O)c1ccc2ccccc2n1 Amb19373194 [0,1,0,0,0,1|0,0,1]=3 3569 B15R2.1601 COC(=O)c1ccc2ccccc2n1 Amb6334851 [0,1,0,0,0,1|0,0,1]=3 3570 B15R2.1601 COC(=O)c1ccc2cccnc2c1 Amb19103848 [0,1,0,0,0,1|2,0,0]=4 3571 B15R2.1601 COC(=O)c1ccc2cccnc2n1 Amb22490521 [0,1,0,0,0,1|1,0,1]=4 3572 B15R2.1601 COC(=O)c1ccc2ccncc2c1 Amb18349241 [0,1,0,0,0,1|2,0,0]=4 3573 B15R2.1601 COC(=O)c1ccc2cnccc2c1 Amb17933852 [0,1,0,0,0,1|2,0,0]=4 3574 B15R2.1601 COC(=O)c1ccc2cnccc2c1 Amb22546432 [0,1,0,0,0,1|2,0,0]=4 3575 B15R2.1601 COC(=O)c1ccc2cnccc2n1 Amb2691470 [0,1,0,0,0,1|1,0,1]=4 3576 B15R2.1601 COC(=O)c1ccc2ncccc2c1 Amb2644069 [0,1,0,0,0,1|2,0,0]=4 3577 B15R2.1601 COC(=O)c1cnc2ccccc2c1 Amb9819003 [0,1,0,0,0,1|0,0,1]=3 3578 B15R2.1601 COC(=O)c1cnc2ccccc2n1 Amb2615127 [0,1,0,0,0,1|0,0,1]=3 3579 B15R2.1601 COC(=O)c1cnc2cccnc2c1 Amb21959437 [0,1,0,0,0,1|1,0,1]=4 3580 B15R2.1601 COC(=O)c1cnc2ccncc2c1 Amb27260904 [0,1,0,0,0,1|1,0,1]=4 3581 B15R2.1601 COC(=O)c1cnc2cnccc2c1 Amb24627777 [0,1,0,0,0,1|1,0,1]=4 3582 B15R2.1601 COC(=O)c1ncc2ccccc2n1 Amb25920508 [0,1,0,0,0,1|0,0,1]=3 3583 B15R2.1601 C\C(=N\O)c1ccc2ccccc2c1 Amb3484959 [0,1,0,0,0,1|2,0,0]=4 3584 B15R2.1601 N#CC(=O)c1cnc2ccccc2n1 Amb27240232 [0,1,0,0,0,1|1,0,1]=4 3585 B15R2.1601 NCC(=O)c1ccc2ccccc2c1 Amb16200345 [0,1,0,0,0,1|2,0,0]=4 3586 B15R2.1601 NCC(=O)c1ccc2ccccc2c1 Amb21929148 [0,1,0,0,0,1|2,0,0]=4 3587 B15R2.1601 NCC(=O)c1ccc2ccccc2n1 Amb27257595 [0,1,0,0,0,1|1,0,1]=4 3588 B15R2.1601 NCC(=O)c1ccc2ccccc2n1 Amb35788248 [0,1,0,0,0,1|1,0,1]=4 3589 B15R2.1601 NCC(=O)c1cnc2ccccc2c1 Amb10553604 [0,1,0,0,0,1|1,0,1]=4 3590 B15R2.1601 NCC(=O)c1cnc2ccccc2n1 Amb24511388 [0,1,0,0,0,1|1,0,1]=4 3591 B15R2.1601 NNC(=O)C1=Cc2ccccc2CC1 Amb28121461 [0,1,0,0,0,1|2,0,0]=4 3592 B15R2.1601 NNC(=O)c1ccc2ccccc2c1 Amb1133202 [0,1,0,0,0,1|2,0,0]=4 3593 B15R2.1601 NNC(=O)c1ccc2ccccc2n1 Amb1105104 [0,1,0,0,0,1|1,0,1]=4 3594 B15R2.1601 NNC(=O)c1cnc2ccccc2c1 Amb20239597 [0,1,0,0,0,1|1,0,1]=4 3595 B15R2.1601 NNC(=O)c1ncc2ccccc2n1 Amb27631761 [0,1,0,0,0,1|1,0,1]=4 3596 B15R2.1601 N\C(=N/O)c1ccc2ccccc2c1 Amb2724905 [0,1,0,0,0,1|2,0,0]=4 3597 B15R2.1601 N\C(=N\O)C1=Cc2ccccc2OC1 Amb21837615 [0,1,0,0,0,1|2,0,0]=4 3598 B15R2.1601 N\C(=N\O)c1ccc2ccccc2n1 Amb2696201 [0,1,0,0,0,1|1,0,1]=4 3599 B15R2.1601 N\C(=N\O)c1cnc2ccccc2n1 Amb27746821 [0,1,0,0,0,1|1,0,1]=4 3600 B15R2.1601 O=C(CBr)c1ccc2ccccc2c1 Amb1229977 [0,1,0,0,0,1|2,0,0]=4 3601 B15R2.1601 O=C(CCl)c1cc2ccccc2cn1 Amb27957259 [0,1,0,0,0,1|1,0,1]=4 3602 B15R2.1601 O=C(CCl)c1ccc2ccccc2c1 Amb24104160 [0,1,0,0,0,1|2,0,0]=4 3603 B15R2.1601 O=C(CCl)c1ccc2ccccc2n1 Amb24521506 [0,1,0,0,0,1|1,0,1]=4 3604 B15R2.1601 O=C(CCl)c1cnc2ccccc2c1 Amb25732423 [0,1,0,0,0,1|1,0,1]=4 3605 B15R2.1601 O=C(CCl)c1cnc2ccccc2n1 Amb26595888 [0,1,0,0,0,1|1,0,1]=4 3606 B15R2.1601 O=C(CF)c1ccc2ccccc2c1 Amb26846092 [0,1,0,0,0,1|2,0,0]=4 3607 B15R2.1601 O=C(CO)c1ccc2ccccc2c1 Amb27417478 [0,1,0,0,0,1|1,0,0]=3 3608 B15R2.1601 O=C(NO)C1CNc2ccccc2O1 Amb27461601 [0,1,0,0,0,1|1,0,1]=4 3609 B15R2.1601 O=C(NO)c1ccc2ccccc2c1 Amb6265054 [0,1,0,0,0,1|1,0,0]=3 3610 B15R2.1601 O=C(NO)c1ccc2ccccc2n1 Amb33532658 [0,1,0,0,0,1|0,0,1]=3 3611 B15R2.1601 O=C(NO)c1ccc2cccnc2c1 Amb19103744 [0,1,0,0,0,1|2,0,0]=4 3612 B15R2.1601 O=C(NO)c1ccc2cccnc2n1 Amb29887057 [0,1,0,0,0,1|1,0,1]=4 3613 B15R2.1601 O=C(NO)c1ccc2ccncc2c1 Amb19103614 [0,1,0,0,0,1|2,0,0]=4 3614 B15R2.1601 O=C(NO)c1ccc2cnccc2c1 Amb18352530 [0,1,0,0,0,1|2,0,0]=4 3615 B15R2.1601 O=C(NO)c1ccc2ncccc2c1 Amb19059651 [0,1,0,0,0,1|2,0,0]=4 3616 B15R2.1601 O=C(NO)c1cnc2ccccc2n1 Amb28429962 [0,1,0,0,0,1|0,0,1]=3 3617 B15R2.1601 O=CC(=O)c1ccc2ccccc2c1 Amb18129371 [0,1,0,0,0,1|1,0,1]=4 3618 B15R2.1601 O=CC(=O)c1ccc2ccccc2c1 Amb19957417 [0,1,0,0,0,1|1,0,1]=4 3619 B15R2.1601 O=CC(O)c1ccc2ccccc2c1 Amb28411630 [0,1,0,0,0,1|1,0,1]=4 3620 B15R2.1601 O=CN(O)c1ccc2ccccc2c1 Amb27883163 [0,1,0,0,0,1|2,0,0]=4 3621 B15R2.1601 O\N=C(/Cl)c1cc2ccccc2cn1 Amb34913794 [0,1,0,0,0,1|1,0,1]=4 3622 B15R2.1601 O\N=C(\Cl)c1ccc2ccccc2c1 Amb28042479 [0,1,0,0,0,1|2,0,0]=4 3623 B15R2.1601 O\N=C(\Cl)c1cnc2ccccc2c1 Amb28185013 [0,1,0,0,0,1|1,0,1]=4 3624 B15R2.4441 O=P(O)(O)c1cnc2ccccc2c1 Amb27642545 [0,1,0,0,0,1|1,0,1]=4 3625 B15R2.4441 O=S(=O)(O)c1ccc2ccccc2c1 Amb2793027 [0,1,0,0,0,1|2,0,0]=4 3626 B15R2.4441 O=S(=O)(O)c1ccc2ccccc2n1 Amb16187008 [0,1,0,0,0,1|1,0,1]=4 3627 B15R2.4441 O=S(=O)(O)c1cnc2ccccc2c1 Amb24082060 [0,1,0,0,0,1|1,0,1]=4 3628 B15R2.7174 CC(=O)C1=Cc2cc(Br)ccc2OC1 Amb7094379 [0,1,0,0,0,1|2,0,0]=4 3629 B15R2.7174 CC(=O)C1=Cc2cc(C)ccc2OC1 Amb7094368 [0,1,0,0,0,1|2,0,0]=4 3630 B15R2.7174 CC(=O)C1=Cc2cc(Cl)ccc2OC1 Amb7094378 [0,1,0,0,0,1|2,0,0]=4 3631 B15R2.7174 CC(=O)C1=Cc2cc(F)ccc2OC1 Amb32756592 [0,1,0,0,0,1|2,0,0]=4 3632 B15R2.7174 CC(=O)c1cc2cc(Br)ccc2nn1 Amb28135787 [0,1,0,0,0,1|1,0,1]=4 3633 B15R2.7174 CC(=O)c1ccc2ccc(Br)cc2n1 Amb25351037 [0,1,0,0,0,1|1,0,1]=4 3634 B15R2.7174 CC(=O)c1ccc2ccc(F)cc2c1 Amb27847140 [0,1,0,0,0,1|2,0,0]=4 3635 B15R2.7174 CC(=O)c1ccc2ccc(O)cc2c1 Amb18649272 [0,1,0,0,0,1|2,0,0]=4 3636 B15R2.7174 CC(=O)c1cnc2ccc(Br)cc2c1 Amb24716930 [0,1,0,0,0,1|1,0,1]=4 3637 B15R2.7174 CC(=O)c1cnc2ccc(Cl)cc2c1 Amb26972193 [0,1,0,0,0,1|1,0,1]=4 3638 B15R2.7174 Cc1cc2cc(C(=O)O)ccc2cn1 Amb25924750 [0,1,0,0,0,1|2,0,0]=4 3639 B15R2.7174 Cc1ccc2c(c1)C=C(C(=O)O)CO2 Amb7094366 [0,1,0,0,0,1|1,0,0]=3 3640 B15R2.7174 Cc1ccc2c(c1)CC(C(=O)O)CN2 Amb18818510 [0,1,0,0,0,1|0,0,2]=4 3641 B15R2.7174 Cc1ccc2c(c1)CC(C(=O)O)NC2 Amb18650838 [0,1,0,0,0,1|0,0,2]=4 3642 B15R2.7174 Cc1ccc2c(c1)C[C@@H](C(=O)O)NC2 Amb27195003 [0,1,0,0,0,1|0,0,2]=4 3643 B15R2.7174 Cc1ccc2c(c1)C[C@H](C(=O)O)NC2 Amb27225876 [0,1,0,0,0,1|0,0,2]=4 3644 B15R2.7174 Cc1ccc2c(c1)NC(C(=O)O)CC2 Amb27614370 [0,1,0,0,0,1|0,0,2]=4 3645 B15R2.7174 Cc1ccc2c(c1)N[C@@H](C(=O)O)CC2 Amb27231616 [0,1,0,0,0,1|0,0,2]=4 3646 B15R2.7174 Cc1ccc2c(c1)OC(C(=O)O)CN2 Amb16230701 [0,1,0,0,0,1|1,0,1]=4 3647 B15R2.7174 Cc1ccc2ccc(C(=O)Cl)cc2c1 Amb25365008 [0,1,0,0,0,1|2,0,0]=4 3648 B15R2.7174 Cc1ccc2ccc(C(=O)O)cc2c1 Amb25806154 [0,1,0,0,0,1|1,0,0]=3 3649 B15R2.7174 Cc1ccc2ccc(C(=O)O)nc2c1 Amb22495977 [0,1,0,0,0,1|0,0,1]=3 3650 B15R2.7174 Cc1ccc2ccc(C(=O)O)nc2n1 Amb3319374 [0,1,0,0,0,1|1,0,1]=4 3651 B15R2.7174 Cc1ccc2ccc(C(N)=O)cc2c1 Amb27778497 [0,1,0,0,0,1|2,0,0]=4 3652 B15R2.7174 Cc1ccc2ccc(C(N)=O)nc2c1 Amb27834279 [0,1,0,0,0,1|1,0,1]=4 3653 B15R2.7174 Cc1ccc2cnc(C(=O)O)cc2c1 Amb18821749 [0,1,0,0,0,1|0,0,1]=3 3654 B15R2.7174 Cc1ccc2ncc(C(=O)O)cc2c1 Amb1994781 [0,1,0,0,0,1|0,0,1]=3 3655 B15R2.7174 Cc1ccc2nnc(C(=O)O)cc2c1 Amb17234494 [0,1,0,0,0,1|0,0,1]=3 3656 B15R2.7174 Cc1ccc2nnc(C(=O)O)nc2c1 Amb23525002 [0,1,0,0,0,1|1,0,1]=4 3657 B15R2.7174 NC(=O)c1cc2cc(F)ccc2cn1 Amb28468154 [0,1,0,0,0,1|1,0,1]=4 3658 B15R2.7174 NC(=O)c1ccc2ccc(Cl)cc2n1 Amb17579179 [0,1,0,0,0,1|1,0,1]=4 3659 B15R2.7174 NC(=O)c1cnc2ccc(Br)cc2c1 Amb20239487 [0,1,0,0,0,1|1,0,1]=4 3660 B15R2.7174 NC(=O)c1cnc2ccc(Cl)cc2c1 Amb20239469 [0,1,0,0,0,1|1,0,1]=4 3661 B15R2.7174 NC(=O)c1cnc2ccc(F)cc2c1 Amb20239482 [0,1,0,0,0,1|1,0,1]=4 3662 B15R2.7174 Nc1cc2cc(C(=O)O)ccc2cn1 Amb24347247 [0,1,0,0,0,1|2,0,0]=4 3663 B15R2.7174 Nc1cc2nc(C(=O)O)ccc2cn1 Amb26027257 [0,1,0,0,0,1|1,0,1]=4 3664 B15R2.7174 Nc1ccc2c(c1)C[C@@H](C(=O)O)NC2 Amb28401527 [0,1,0,0,0,1|0,0,2]=4 3665 B15R2.7174 Nc1ccc2c(c1)C[C@H](C(=O)O)NC2 Amb27754135 [0,1,0,0,0,1|0,0,2]=4 3666 B15R2.7174 Nc1ccc2c(c1)NC(C(=O)O)CC2 Amb27408507 [0,1,0,0,0,1|0,0,2]=4 3667 B15R2.7174 Nc1ccc2c(c1)N[C@@H](C(=O)O)CC2 Amb27654037 [0,1,0,0,0,1|0,0,2]=4 3668 B15R2.7174 Nc1ccc2c(c1)OC(C(=O)O)CN2 Amb27250597 [0,1,0,0,0,1|1,0,1]=4 3669 B15R2.7174 Nc1ccc2ccc(C(=O)Cl)cc2c1 Amb25764589 [0,1,0,0,0,1|2,0,0]=4 3670 B15R2.7174 Nc1ccc2ccc(C(=O)O)cc2c1 Amb25785845 [0,1,0,0,0,1|1,0,0]=3 3671 B15R2.7174 Nc1ccc2ccc(C(=O)O)cc2n1 Amb22371948 [0,1,0,0,0,1|2,0,0]=4 3672 B15R2.7174 Nc1ccc2ccc(C(=O)O)nc2c1 Amb22899356 [0,1,0,0,0,1|0,0,1]=3 3673 B15R2.7174 Nc1ccc2ccc(C(=O)O)nc2n1 Amb24116369 [0,1,0,0,0,1|1,0,1]=4 3674 B15R2.7174 Nc1ccc2cnc(C(=O)O)cc2c1 Amb26008328 [0,1,0,0,0,1|0,0,1]=3 3675 B15R2.7174 Nc1ccc2ncc(C(=O)O)cc2c1 Amb24183734 [0,1,0,0,0,1|0,0,1]=3 3676 B15R2.7174 Nc1ccc2ncc(C(=O)O)cc2n1 Amb25240834 [0,1,0,0,0,1|1,0,1]=4 3677 B15R2.7174 Nc1cnc2ccc(C(=O)O)cc2c1 Amb22899406 [0,1,0,0,0,1|2,0,0]=4 3678 B15R2.7174 Nc1cnc2ncc(C(=O)O)cc2c1 Amb24110316 [0,1,0,0,0,1|1,0,1]=4 3679 B15R2.7174 O=C(Cl)C1=Cc2cc(Br)ccc2OC1 Amb27964567 [0,1,0,0,0,1|2,0,0]=4 3680 B15R2.7174 O=C(Cl)C1=Cc2cc(Cl)ccc2OC1 Amb2720378 [0,1,0,0,0,1|2,0,0]=4 3681 B15R2.7174 O=C(Cl)c1ccc2ccc(Br)cc2c1 Amb28368425 [0,1,0,0,0,1|2,0,0]=4 3682 B15R2.7174 O=C(Cl)c1ccc2ccc(Cl)cc2c1 Amb26594970 [0,1,0,0,0,1|2,0,0]=4 3683 B15R2.7174 O=C(Cl)c1ccc2ccc(F)cc2c1 Amb27238629 [0,1,0,0,0,1|2,0,0]=4 3684 B15R2.7174 O=C(Cl)c1ccc2ccc(F)cc2n1 Amb26469124 [0,1,0,0,0,1|1,0,1]=4 3685 B15R2.7174 O=C(Cl)c1ccc2ccc(I)cc2c1 Amb27419714 [0,1,0,0,0,1|2,0,0]=4 3686 B15R2.7174 O=C(Cl)c1ccc2ccc(O)cc2c1 Amb24446469 [0,1,0,0,0,1|2,0,0]=4 3687 B15R2.7174 O=C(Cl)c1cnc2ccc(Br)cc2c1 Amb28455379 [0,1,0,0,0,1|1,0,1]=4 3688 B15R2.7174 O=C(Cl)c1cnc2ccc(Br)cc2n1 Amb27642695 [0,1,0,0,0,1|1,0,1]=4 3689 B15R2.7174 O=C(O)C1=COc2ccc(O)cc2C1 Amb2698056 [0,1,0,0,0,1|1,0,0]=3 3690 B15R2.7174 O=C(O)C1=Cc2cc(Br)ccc2OC1 Amb1161540 [0,1,0,0,0,1|1,0,0]=3 3691 B15R2.7174 O=C(O)C1=Cc2cc(Cl)ccc2OC1 Amb1156347 [0,1,0,0,0,1|1,0,0]=3 3692 B15R2.7174 O=C(O)C1=Cc2cc(F)ccc2OC1 Amb23441817 [0,1,0,0,0,1|1,0,0]=3 3693 B15R2.7174 O=C(O)C1CCc2ccc(F)cc2N1 Amb23589676 [0,1,0,0,0,1|0,0,2]=4 3694 B15R2.7174 O=C(O)C1CCc2ccc(I)cc2N1 Amb27587883 [0,1,0,0,0,1|0,0,2]=4 3695 B15R2.7174 O=C(O)C1CCc2ccc(O)cc2N1 Amb27778434 [0,1,0,0,0,1|0,0,2]=4 3696 B15R2.7174 O=C(O)C1CNc2ccc(Br)cc2C1 Amb18692886 [0,1,0,0,0,1|0,0,2]=4 3697 B15R2.7174 O=C(O)C1CNc2ccc(Br)cc2O1 Amb24514313 [0,1,0,0,0,1|1,0,1]=4 3698 B15R2.7174 O=C(O)C1CNc2ccc(Cl)cc2C1 Amb18772190 [0,1,0,0,0,1|0,0,2]=4 3699 B15R2.7174 O=C(O)C1CNc2ccc(F)cc2C1 Amb18814259 [0,1,0,0,0,1|0,0,2]=4 3700 B15R2.7174 O=C(O)C1CNc2ccc(F)cc2O1 Amb27164007 [0,1,0,0,0,1|1,0,1]=4 3701 B15R2.7174 O=C(O)C1CNc2ccc(O)cc2C1 Amb18816656 [0,1,0,0,0,1|0,0,2]=4 3702 B15R2.7174 O=C(O)C1COc2ccc(Br)cc2N1 Amb27397369 [0,1,0,0,0,1|0,0,2]=4 3703 B15R2.7174 O=C(O)C1COc2ccc(F)cc2N1 Amb27419835 [0,1,0,0,0,1|0,0,2]=4 3704 B15R2.7174 O=C(O)C1Cc2cc(Br)ccc2CN1 Amb27794352 [0,1,0,0,0,1|0,0,2]=4 3705 B15R2.7174 O=C(O)C1Cc2cc(Br)ccc2CN1 Amb33338776 [0,1,0,0,0,1|0,0,2]=4 3706 B15R2.7174 O=C(O)C1Cc2cc(Cl)ccc2CN1 Amb24356681 [0,1,0,0,0,1|0,0,2]=4 3707 B15R2.7174 O=C(O)C1Cc2cc(F)ccc2CN1 Amb22831642 [0,1,0,0,0,1|0,0,2]=4 3708 B15R2.7174 O=C(O)C1Cc2cc(F)ccc2CN1 Amb33483348 [0,1,0,0,0,1|0,0,2]=4 3709 B15R2.7174 O=C(O)C1Cc2cc(O)ccc2CN1 Amb2699741 [0,1,0,0,0,1|0,0,2]=4 3710 B15R2.7174 O=C(O)C1Cc2cc(O)ccc2CN1 Amb2777847 [0,1,0,0,0,1|0,0,2]=4 3711 B15R2.7174 O=C(O)[C@@H]1Cc2cc(Cl)ccc2CN1 Amb25857888 [0,1,0,0,0,1|0,0,2]=4 3712 B15R2.7174 O=C(O)[C@@H]1Cc2cc(F)ccc2CN1 Amb28343055 [0,1,0,0,0,1|0,0,2]=4 3713 B15R2.7174 O=C(O)[C@H]1CCc2ccc(Cl)cc2N1 Amb27226039 [0,1,0,0,0,1|0,0,2]=4 3714 B15R2.7174 O=C(O)[C@H]1CCc2ccc(F)cc2N1 Amb27474458 [0,1,0,0,0,1|0,0,2]=4 3715 B15R2.7174 O=C(O)[C@H]1Cc2cc(Br)ccc2CN1 Amb27950064 [0,1,0,0,0,1|0,0,2]=4 3716 B15R2.7174 O=C(O)[C@H]1Cc2cc(Cl)ccc2CN1 Amb27461169 [0,1,0,0,0,1|0,0,2]=4 3717 B15R2.7174 O=C(O)[C@H]1Cc2cc(F)ccc2CN1 Amb27210164 [0,1,0,0,0,1|0,0,2]=4 3718 B15R2.7174 O=C(O)c1cc2cc(Br)ccc2cn1 Amb18698937 [0,1,0,0,0,1|0,0,1]=3 3719 B15R2.7174 O=C(O)c1cc2cc(Cl)ccc2cn1 Amb18778240 [0,1,0,0,0,1|0,0,1]=3 3720 B15R2.7174 O=C(O)c1cc2cc(Cl)ccc2nn1 Amb18776456 [0,1,0,0,0,1|0,0,1]=3 3721 B15R2.7174 O=C(O)c1cc2cc(F)ccc2cn1 Amb18818992 [0,1,0,0,0,1|0,0,1]=3 3722 B15R2.7174 O=C(O)c1cc2cc(F)ccc2nn1 Amb18817922 [0,1,0,0,0,1|0,0,1]=3 3723 B15R2.7174 O=C(O)c1cc2cc(I)ccc2nn1 Amb32416376 [0,1,0,0,0,1|0,0,1]=3 3724 B15R2.7174 O=C(O)c1ccc2ccc(Br)cc2c1 Amb25844534 [0,1,0,0,0,1|1,0,0]=3 3725 B15R2.7174 O=C(O)c1ccc2ccc(Br)cc2n1 Amb17583641 [0,1,0,0,0,1|0,0,1]=3 3726 B15R2.7174 O=C(O)c1ccc2ccc(Br)nc2n1 Amb24116365 [0,1,0,0,0,1|1,0,1]=4 3727 B15R2.7174 O=C(O)c1ccc2ccc(Cl)cc2n1 Amb17579230 [0,1,0,0,0,1|0,0,1]=3 3728 B15R2.7174 O=C(O)c1ccc2ccc(Cl)nc2c1 Amb22371894 [0,1,0,0,0,1|2,0,0]=4 3729 B15R2.7174 O=C(O)c1ccc2ccc(Cl)nc2n1 Amb24116364 [0,1,0,0,0,1|1,0,1]=4 3730 B15R2.7174 O=C(O)c1ccc2ccc(F)cc2c1 Amb27954638 [0,1,0,0,0,1|1,0,0]=3 3731 B15R2.7174 O=C(O)c1ccc2ccc(I)cc2c1 Amb24451596 [0,1,0,0,0,1|1,0,0]=3 3732 B15R2.7174 O=C(O)c1ccc2ccc(I)cc2n1 Amb27634063 [0,1,0,0,0,1|0,0,1]=3 3733 B15R2.7174 O=C(O)c1ccc2ccc(I)nc2n1 Amb24116366 [0,1,0,0,0,1|1,0,1]=4 3734 B15R2.7174 O=C(O)c1ccc2ccc(O)cc2c1 Amb17594868 [0,1,0,0,0,1|1,0,0]=3 3735 B15R2.7174 O=C(O)c1ccc2ccc(O)cc2n1 Amb27419427 [0,1,0,0,0,1|0,0,1]=3 3736 B15R2.7174 O=C(O)c1ccc2ccc(O)nc2c1 Amb22371947 [0,1,0,0,0,1|2,0,0]=4 3737 B15R2.7174 O=C(O)c1ccc2ccc(O)nc2n1 Amb24116370 [0,1,0,0,0,1|1,0,1]=4 3738 B15R2.7174 O=C(O)c1ccc2cnc(Cl)cc2c1 Amb22735850 [0,1,0,0,0,1|2,0,0]=4 3739 B15R2.7174 O=C(O)c1ccc2cnc(F)cc2c1 Amb26919840 [0,1,0,0,0,1|2,0,0]=4 3740 B15R2.7174 O=C(O)c1ccc2cnc(F)cc2n1 Amb28141539 [0,1,0,0,0,1|1,0,1]=4 3741 B15R2.7174 O=C(O)c1ccc2cnc(O)cc2c1 Amb25808961 [0,1,0,0,0,1|2,0,0]=4 3742 B15R2.7174 O=C(O)c1ccc2ncc(Br)cc2c1 Amb23449341 [0,1,0,0,0,1|2,0,0]=4 3743 B15R2.7174 O=C(O)c1ccc2ncc(Cl)cc2c1 Amb26378612 [0,1,0,0,0,1|2,0,0]=4 3744 B15R2.7174 O=C(O)c1ccc2ncc(F)cc2c1 Amb22899412 [0,1,0,0,0,1|2,0,0]=4 3745 B15R2.7174 O=C(O)c1ccc2ncc(O)cc2c1 Amb24183759 [0,1,0,0,0,1|2,0,0]=4 3746 B15R2.7174 O=C(O)c1cnc2ccc(Br)cc2c1 Amb1994206 [0,1,0,0,0,1|0,0,1]=3 3747 B15R2.7174 O=C(O)c1cnc2ccc(Cl)cc2c1 Amb1994764 [0,1,0,0,0,1|0,0,1]=3 3748 B15R2.7174 O=C(O)c1cnc2ccc(F)cc2c1 Amb1994256 [0,1,0,0,0,1|0,0,1]=3 3749 B15R2.7174 O=C(O)c1cnc2ccc(I)cc2c1 Amb25665674 [0,1,0,0,0,1|0,0,1]=3 3750 B15R2.7174 O=C(O)c1cnc2ccc(O)cc2c1 Amb22899329 [0,1,0,0,0,1|0,0,1]=3 3751 B15R2.7174 O=C(O)c1cnc2ccc(O)nc2c1 Amb31291271 [0,1,0,0,0,1|1,0,1]=4 3752 B15R2.7174 O=C(O)c1cnc2ncc(Br)cc2c1 Amb9174245 [0,1,0,0,0,1|1,0,1]=4 3753 B15R2.7174 O=C(O)c1nnc2ccc(Br)cc2n1 Amb23473887 [0,1,0,0,0,1|1,0,1]=4 3754 B15R2.7174 O=C(O)c1nnc2ccc(F)cc2n1 Amb27640295 [0,1,0,0,0,1|1,0,1]=4 3755 B15R2.7174 O=C1C=Cc2ccc(C(=O)O)cc2O1 Amb24390786 [0,1,0,0,0,1|2,0,0]=4 3756 B15R2.7180 CC(=O)C1=Cc2ccc(Br)cc2OC1 Amb32756621 [0,1,0,0,0,1|2,0,0]=4 3757 B15R2.7180 CC(=O)C1=Cc2ccc(C)cc2OC1 Amb7094364 [0,1,0,0,0,1|2,0,0]=4 3758 B15R2.7180 CC(=O)C1=Cc2ccc(F)cc2OC1 Amb32756605 [0,1,0,0,0,1|2,0,0]=4 3759 B15R2.7180 CC(=O)c1cc2ccc(Br)cc2cn1 Amb23401587 [0,1,0,0,0,1|1,0,1]=4 3760 B15R2.7180 CC(=O)c1ccc2cc(Br)ccc2c1 Amb22756098 [0,1,0,0,0,1|2,0,0]=4 3761 B15R2.7180 CC(=O)c1ccc2cc(C)ccc2c1 Amb3940081 [0,1,0,0,0,1|2,0,0]=4 3762 B15R2.7180 CC(=O)c1ccc2cc(F)ccc2c1 Amb25697435 [0,1,0,0,0,1|2,0,0]=4 3763 B15R2.7180 CC(=O)c1ccc2cc(F)ccc2n1 Amb25183222 [0,1,0,0,0,1|1,0,1]=4 3764 B15R2.7180 CC(=O)c1ccc2cc(N)ccc2c1 Amb22491882 [0,1,0,0,0,1|2,0,0]=4 3765 B15R2.7180 CC(=O)c1ccc2cc(O)ccc2c1 Amb18129611 [0,1,0,0,0,1|2,0,0]=4 3766 B15R2.7180 CC(=O)c1cnc2cc(Br)ccc2c1 Amb25812734 [0,1,0,0,0,1|1,0,1]=4 3767 B15R2.7180 CC(=O)c1cnc2cc(F)ccc2c1 Amb25244441 [0,1,0,0,0,1|1,0,1]=4 3768 B15R2.7180 Cc1ccc2c(c1)C=CC(C(=O)O)C2 Amb17470696 [0,1,0,0,0,1|1,0,1]=4 3769 B15R2.7180 Cc1ccc2c(c1)CCC(C(=O)O)N2 Amb18818570 [0,1,0,0,0,1|0,0,2]=4 3770 B15R2.7180 Cc1ccc2c(c1)CNC(C(=O)O)C2 Amb18650839 [0,1,0,0,0,1|0,0,2]=4 3771 B15R2.7180 Cc1ccc2c(c1)CN[C@H](C(=O)O)C2 Amb28120715 [0,1,0,0,0,1|0,0,2]=4 3772 B15R2.7180 Cc1ccc2c(c1)NCC(C(=O)O)C2 Amb25245950 [0,1,0,0,0,1|0,0,2]=4 3773 B15R2.7180 Cc1ccc2c(c1)NCC(C(=O)O)O2 Amb18118399 [0,1,0,0,0,1|1,0,1]=4 3774 B15R2.7180 Cc1ccc2c(c1)OCC(C(=O)O)=C2 Amb7094362 [0,1,0,0,0,1|1,0,0]=3 3775 B15R2.7180 Cc1ccc2cc(C(=O)Cl)ccc2c1 Amb27876530 [0,1,0,0,0,1|2,0,0]=4 3776 B15R2.7180 Cc1ccc2cc(C(=O)O)ccc2c1 Amb8438895 [0,1,0,0,0,1|1,0,0]=3 3777 B15R2.7180 Cc1ccc2cc(C(=O)O)ccc2n1 Amb2723429 [0,1,0,0,0,1|2,0,0]=4 3778 B15R2.7180 Cc1ccc2cc(C(=O)O)cnc2c1 Amb1994828 [0,1,0,0,0,1|0,0,1]=3 3779 B15R2.7180 Cc1ccc2cc(C(=O)O)ncc2c1 Amb18821750 [0,1,0,0,0,1|0,0,1]=3 3780 B15R2.7180 Cc1ccc2cc(C(=O)O)nnc2c1 Amb32416373 [0,1,0,0,0,1|0,0,1]=3 3781 B15R2.7180 Cc1ccc2nc(C(=O)O)ccc2c1 Amb18649531 [0,1,0,0,0,1|0,0,1]=3 3782 B15R2.7180 Cc1ccc2nc(C(=O)O)cnc2c1 Amb28141883 [0,1,0,0,0,1|0,0,1]=3 3783 B15R2.7180 Cc1ccc2nc(C(=O)O)ncc2c1 Amb10241303 [0,1,0,0,0,1|0,0,1]=3 3784 B15R2.7180 Cc1ccc2nc(C(=O)O)ncc2c1 Amb28140775 [0,1,0,0,0,1|0,0,1]=3 3785 B15R2.7180 Cc1ccc2nc(C(N)=O)ccc2c1 Amb28146014 [0,1,0,0,0,1|1,0,1]=4 3786 B15R2.7180 Cc1cnc2cc(C(=O)O)ccc2c1 Amb30633575 [0,1,0,0,0,1|2,0,0]=4 3787 B15R2.7180 NC(=O)c1ccc2cc(Br)ccc2c1 Amb25805278 [0,1,0,0,0,1|2,0,0]=4 3788 B15R2.7180 NC(=O)c1ccc2cc(Br)ccc2n1 Amb17583536 [0,1,0,0,0,1|1,0,1]=4 3789 B15R2.7180 NC(=O)c1ccc2cc(Cl)ccc2c1 Amb24506539 [0,1,0,0,0,1|2,0,0]=4 3790 B15R2.7180 NC(=O)c1ccc2cc(Cl)ccc2n1 Amb17579180 [0,1,0,0,0,1|1,0,1]=4 3791 B15R2.7180 NC(=O)c1ccc2cc(F)ccc2n1 Amb17578514 [0,1,0,0,0,1|1,0,1]=4 3792 B15R2.7180 NC(=O)c1ccc2cc(I)ccc2n1 Amb17591614 [0,1,0,0,0,1|1,0,1]=4 3793 B15R2.7180 NC(=O)c1ccc2cc(N)ccc2c1 Amb26536208 [0,1,0,0,0,1|2,0,0]=4 3794 B15R2.7180 NC(=O)c1cnc2cc(Br)ccc2c1 Amb20239488 [0,1,0,0,0,1|1,0,1]=4 3795 B15R2.7180 NC(=O)c1cnc2cc(Cl)ccc2c1 Amb20239485 [0,1,0,0,0,1|1,0,1]=4 3796 B15R2.7180 NC(=O)c1cnc2cc(F)ccc2c1 Amb20239483 [0,1,0,0,0,1|1,0,1]=4 3797 B15R2.7180 Nc1cc2ccc(C(=O)O)cc2cn1 Amb26858848 [0,1,0,0,0,1|2,0,0]=4 3798 B15R2.7180 Nc1ccc2c(c1)CCC(C(=O)O)N2 Amb23440590 [0,1,0,0,0,1|0,0,2]=4 3799 B15R2.7180 Nc1ccc2c(c1)CC[C@@H](C(=O)O)N2 Amb27587848 [0,1,0,0,0,1|0,0,2]=4 3800 B15R2.7180 Nc1ccc2cc(C(=O)O)ccc2c1 Amb2684494 [0,1,0,0,0,1|1,0,0]=3 3801 B15R2.7180 Nc1ccc2cc(C(=O)O)ccc2n1 Amb22234478 [0,1,0,0,0,1|2,0,0]=4 3802 B15R2.7180 Nc1ccc2cc(C(=O)O)cnc2c1 Amb25756648 [0,1,0,0,0,1|0,0,1]=3 3803 B15R2.7180 Nc1ccc2cc(C(=O)O)ncc2c1 Amb27410579 [0,1,0,0,0,1|0,0,1]=3 3804 B15R2.7180 Nc1ccc2cc(C(=O)[O-])ccc2c1 Amb33513210 [0,1,0,0,0,1|1,0,1]=4 3805 B15R2.7180 Nc1ccc2nc(C(=O)O)ccc2c1 Amb9767546 [0,1,0,0,0,1|0,0,1]=3 3806 B15R2.7180 Nc1ccc2nc(C(=O)O)cnc2c1 Amb27591346 [0,1,0,0,0,1|0,0,1]=3 3807 B15R2.7180 Nc1cnc2cc(C(=O)O)ccc2c1 Amb24183784 [0,1,0,0,0,1|2,0,0]=4 3808 B15R2.7180 Nc1cnc2cc(C(=O)O)cnc2c1 Amb31291390 [0,1,0,0,0,1|1,0,1]=4 3809 B15R2.7180 O=C(Cl)c1ccc2cc(Br)ccc2c1 Amb25738489 [0,1,0,0,0,1|2,0,0]=4 3810 B15R2.7180 O=C(Cl)c1ccc2cc(Cl)ccc2c1 Amb26346767 [0,1,0,0,0,1|2,0,0]=4 3811 B15R2.7180 O=C(Cl)c1ccc2cc(F)ccc2c1 Amb26855430 [0,1,0,0,0,1|2,0,0]=4 3812 B15R2.7180 O=C(Cl)c1ccc2cc(O)ccc2c1 Amb19930044 [0,1,0,0,0,1|2,0,0]=4 3813 B15R2.7180 O=C(Cl)c1cnc2cc(O)ccc2c1 Amb24743454 [0,1,0,0,0,1|1,0,1]=4 3814 B15R2.7180 O=C(O)C1=Cc2ccc(Br)cc2OC1 Amb26469076 [0,1,0,0,0,1|1,0,0]=3 3815 B15R2.7180 O=C(O)C1=Cc2ccc(Cl)cc2OC1 Amb26006976 [0,1,0,0,0,1|1,0,0]=3 3816 B15R2.7180 O=C(O)C1=Cc2ccc(F)cc2CC1 Amb27781538 [0,1,0,0,0,1|1,0,0]=3 3817 B15R2.7180 O=C(O)C1=Cc2ccc(F)cc2OC1 Amb27256641 [0,1,0,0,0,1|1,0,0]=3 3818 B15R2.7180 O=C(O)C1=Cc2ccc(O)cc2CC1 Amb21858665 [0,1,0,0,0,1|1,0,0]=3 3819 B15R2.7180 O=C(O)C1=Cc2ccc(O)cc2OC1 Amb1110913 [0,1,0,0,0,1|1,0,0]=3 3820 B15R2.7180 O=C(O)C1C=Cc2cc(Cl)ccc2C1 Amb17471331 [0,1,0,0,0,1|1,0,1]=4 3821 B15R2.7180 O=C(O)C1C=Cc2cc(F)ccc2C1 Amb17470809 [0,1,0,0,0,1|1,0,1]=4 3822 B15R2.7180 O=C(O)C1CCc2cc(Br)ccc2N1 Amb18692919 [0,1,0,0,0,1|0,0,2]=4 3823 B15R2.7180 O=C(O)C1CCc2cc(Cl)ccc2N1 Amb18772206 [0,1,0,0,0,1|0,0,2]=4 3824 B15R2.7180 O=C(O)C1CCc2cc(F)ccc2N1 Amb18814266 [0,1,0,0,0,1|0,0,2]=4 3825 B15R2.7180 O=C(O)C1CNc2cc(Br)ccc2O1 Amb26929215 [0,1,0,0,0,1|1,0,1]=4 3826 B15R2.7180 O=C(O)C1CNc2cc(Cl)ccc2C1 Amb27953790 [0,1,0,0,0,1|0,0,2]=4 3827 B15R2.7180 O=C(O)C1CNc2cc(Cl)ccc2O1 Amb18118400 [0,1,0,0,0,1|1,0,1]=4 3828 B15R2.7180 O=C(O)C1CNc2cc(F)ccc2C1 Amb28280953 [0,1,0,0,0,1|0,0,2]=4 3829 B15R2.7180 O=C(O)C1CNc2cc(F)ccc2O1 Amb27466277 [0,1,0,0,0,1|1,0,1]=4 3830 B15R2.7180 O=C(O)C1CSc2cc(O)ccc2N1 Amb27166075 [0,1,0,0,0,1|0,0,2]=4 3831 B15R2.7180 O=C(O)C1Cc2ccc(Br)cc2CN1 Amb18667776 [0,1,0,0,0,1|0,0,2]=4 3832 B15R2.7180 O=C(O)C1Cc2ccc(F)cc2CN1 Amb25924599 [0,1,0,0,0,1|0,0,2]=4 3833 B15R2.7180 O=C(O)C1Cc2ccc(F)cc2CN1 Amb33483542 [0,1,0,0,0,1|0,0,2]=4 3834 B15R2.7180 O=C(O)C1Cc2ccc(O)cc2CN1 Amb2695214 [0,1,0,0,0,1|0,0,2]=4 3835 B15R2.7180 O=C(O)[C@@H]1Cc2ccc(Br)cc2CN1 Amb27419481 [0,1,0,0,0,1|0,0,2]=4 3836 B15R2.7180 O=C(O)[C@@H]1Cc2ccc(F)cc2CN1 Amb25786246 [0,1,0,0,0,1|0,0,2]=4 3837 B15R2.7180 O=C(O)[C@@H]1Cc2ccc(O)cc2CN1 Amb2694979 [0,1,0,0,0,1|0,0,2]=4 3838 B15R2.7180 O=C(O)[C@H]1CCc2cc(Br)ccc2N1 Amb27224959 [0,1,0,0,0,1|0,0,2]=4 3839 B15R2.7180 O=C(O)[C@H]1Cc2ccc(Br)cc2CN1 Amb27419674 [0,1,0,0,0,1|0,0,2]=4 3840 B15R2.7180 O=C(O)[C@H]1Cc2ccc(Cl)cc2CN1 Amb27588078 [0,1,0,0,0,1|0,0,2]=4 3841 B15R2.7180 O=C(O)[C@H]1Cc2ccc(O)cc2CN1 Amb22757070 [0,1,0,0,0,1|0,0,2]=4 3842 B15R2.7180 O=C(O)[C@H]1Cc2ccc(O)cc2CN1 Amb8384278 [0,1,0,0,0,1|0,0,2]=4 3843 B15R2.7180 O=C(O)c1cc2ccc(Br)cc2cn1 Amb18698938 [0,1,0,0,0,1|0,0,1]=3 3844 B15R2.7180 O=C(O)c1cc2ccc(Br)cc2nn1 Amb32416375 [0,1,0,0,0,1|0,0,1]=3 3845 B15R2.7180 O=C(O)c1cc2ccc(Cl)cc2cn1 Amb18778241 [0,1,0,0,0,1|0,0,1]=3 3846 B15R2.7180 O=C(O)c1cc2ccc(Cl)cc2nn1 Amb23399688 [0,1,0,0,0,1|0,0,1]=3 3847 B15R2.7180 O=C(O)c1cc2ccc(F)cc2cn1 Amb18818994 [0,1,0,0,0,1|0,0,1]=3 3848 B15R2.7180 O=C(O)c1cc2ccc(F)cc2nn1 Amb27634204 [0,1,0,0,0,1|0,0,1]=3 3849 B15R2.7180 O=C(O)c1cc2ccc(O)cc2cn1 Amb18820646 [0,1,0,0,0,1|0,0,1]=3 3850 B15R2.7180 O=C(O)c1cc2cnc(Cl)cc2cn1 Amb28289260 [0,1,0,0,0,1|1,0,1]=4 3851 B15R2.7180 O=C(O)c1ccc2cc(Br)ccc2c1 Amb6366141 [0,1,0,0,0,1|1,0,0]=3 3852 B15R2.7180 O=C(O)c1ccc2cc(Br)ccc2n1 Amb5638143 [0,1,0,0,0,1|0,0,1]=3 3853 B15R2.7180 O=C(O)c1ccc2cc(Br)cnc2c1 Amb22899400 [0,1,0,0,0,1|2,0,0]=4 3854 B15R2.7180 O=C(O)c1ccc2cc(Br)cnc2n1 Amb24116489 [0,1,0,0,0,1|1,0,1]=4 3855 B15R2.7180 O=C(O)c1ccc2cc(Cl)ccc2c1 Amb18130977 [0,1,0,0,0,1|1,0,0]=3 3856 B15R2.7180 O=C(O)c1ccc2cc(Cl)ccc2n1 Amb9768227 [0,1,0,0,0,1|0,0,1]=3 3857 B15R2.7180 O=C(O)c1ccc2cc(Cl)cnc2c1 Amb24183751 [0,1,0,0,0,1|2,0,0]=4 3858 B15R2.7180 O=C(O)c1ccc2cc(Cl)ncc2c1 Amb22735851 [0,1,0,0,0,1|2,0,0]=4 3859 B15R2.7180 O=C(O)c1ccc2cc(F)ccc2c1 Amb6298704 [0,1,0,0,0,1|1,0,0]=3 3860 B15R2.7180 O=C(O)c1ccc2cc(F)ccc2n1 Amb9768226 [0,1,0,0,0,1|0,0,1]=3 3861 B15R2.7180 O=C(O)c1ccc2cc(F)cnc2c1 Amb24183772 [0,1,0,0,0,1|2,0,0]=4 3862 B15R2.7180 O=C(O)c1ccc2cc(I)ccc2n1 Amb5751259 [0,1,0,0,0,1|0,0,1]=3 3863 B15R2.7180 O=C(O)c1ccc2cc(O)ccc2c1 Amb1225046 [0,1,0,0,0,1|1,0,0]=3 3864 B15R2.7180 O=C(O)c1ccc2cc(O)ccc2n1 Amb22886608 [0,1,0,0,0,1|0,0,1]=3 3865 B15R2.7180 O=C(O)c1ccc2cc(O)cnc2c1 Amb24183773 [0,1,0,0,0,1|2,0,0]=4 3866 B15R2.7180 O=C(O)c1ccc2cc(S)ccc2c1 Amb27166092 [0,1,0,0,0,1|1,0,0]=3 3867 B15R2.7180 O=C(O)c1ccc2nc(Br)ccc2c1 Amb23412001 [0,1,0,0,0,1|2,0,0]=4 3868 B15R2.7180 O=C(O)c1ccc2nc(Cl)ccc2c1 Amb1127482 [0,1,0,0,0,1|2,0,0]=4 3869 B15R2.7180 O=C(O)c1ccc2nc(O)ccc2c1 Amb22015201 [0,1,0,0,0,1|2,0,0]=4 3870 B15R2.7180 O=C(O)c1cnc2cc(Br)ccc2c1 Amb1994207 [0,1,0,0,0,1|0,0,1]=3 3871 B15R2.7180 O=C(O)c1cnc2cc(Br)ccc2n1 Amb22054573 [0,1,0,0,0,1|0,0,1]=3 3872 B15R2.7180 O=C(O)c1cnc2cc(Br)cnc2c1 Amb22755327 [0,1,0,0,0,1|1,0,1]=4 3873 B15R2.7180 O=C(O)c1cnc2cc(Cl)ccc2c1 Amb1994235 [0,1,0,0,0,1|0,0,1]=3 3874 B15R2.7180 O=C(O)c1cnc2cc(Cl)ccc2n1 Amb18656339 [0,1,0,0,0,1|0,0,1]=3 3875 B15R2.7180 O=C(O)c1cnc2cc(F)ccc2c1 Amb1994819 [0,1,0,0,0,1|0,0,1]=3 3876 B15R2.7180 O=C(O)c1cnc2cc(F)ccc2n1 Amb25320967 [0,1,0,0,0,1|0,0,1]=3 3877 B15R2.7180 O=C(O)c1cnc2cc(I)ccc2c1 Amb27762691 [0,1,0,0,0,1|0,0,1]=3 3878 B15R2.7180 O=C(O)c1cnc2cc(O)ccc2c1 Amb22899349 [0,1,0,0,0,1|0,0,1]=3 3879 B15R2.7180 O=C(O)c1cnc2nc(Br)ccc2c1 Amb33306895 [0,1,0,0,0,1|1,0,1]=4 3880 B15R2.7180 O=C(O)c1cnc2nc(Cl)ccc2c1 Amb33306893 [0,1,0,0,0,1|1,0,1]=4 3881 B15R2.7180 O=C(O)c1cnc2nc(O)ccc2c1 Amb33306894 [0,1,0,0,0,1|1,0,1]=4 3882 B15R2.7180 O=C(O)c1ncc2cc(Cl)ccc2n1 Amb25168066 [0,1,0,0,0,1|0,0,1]=3 3883 B15R2.7180 O=C(O)c1ncc2cc(F)ccc2n1 Amb28245517 [0,1,0,0,0,1|0,0,1]=3 3884 B15R2.7180 O=C1C=Cc2cc(C(=O)O)ccc2O1 Amb20620657 [0,1,0,0,0,1|2,0,0]=4 3885 B15R2.7180 O=S(O)c1ccc2cc(O)ccc2c1 Amb17595573 [0,1,0,0,0,1|2,0,0]=4 3886 B15R2.13598 CC(=O)C1=Cc2cccc(Br)c2OC1 Amb32756600 [0,1,0,0,0,1|2,0,0]=4 3887 B15R2.13598 CC(=O)C1=Cc2cccc(C)c2OC1 Amb32756596 [0,1,0,0,0,1|2,0,0]=4 3888 B15R2.13598 CC(=O)C1=Cc2cccc(Cl)c2OC1 Amb32756613 [0,1,0,0,0,1|2,0,0]=4 3889 B15R2.13598 CC(=O)C1=Cc2cccc(F)c2OC1 Amb32756588 [0,1,0,0,0,1|2,0,0]=4 3890 B15R2.13598 CC(=O)c1ccc2c(F)cccc2c1 Amb27634090 [0,1,0,0,0,1|2,0,0]=4 3891 B15R2.13598 CC(=O)c1ccc2c(O)cccc2c1 Amb28365234 [0,1,0,0,0,1|2,0,0]=4 3892 B15R2.13598 CC(=O)c1cnc2c(F)cccc2c1 Amb27395473 [0,1,0,0,0,1|1,0,1]=4 3893 B15R2.13598 Cc1cccc2c1CNC(C(=O)O)C2 Amb25082699 [0,1,0,0,0,1|0,0,2]=4 3894 B15R2.13598 Cc1cccc2c1NCC(C(=O)O)C2 Amb18818491 [0,1,0,0,0,1|0,0,2]=4 3895 B15R2.13598 Cc1cccc2cc(C(=O)O)ccc12 Amb27827635 [0,1,0,0,0,1|1,0,0]=3 3896 B15R2.13598 Cc1cccc2cc(C(=O)O)cnc12 Amb1994269 [0,1,0,0,0,1|0,0,1]=3 3897 B15R2.13598 Cc1cccc2cc(C(=O)O)ncc12 Amb18821748 [0,1,0,0,0,1|0,0,1]=3 3898 B15R2.13598 Cc1cccc2cc(C(=O)O)nnc12 Amb18821244 [0,1,0,0,0,1|0,0,1]=3 3899 B15R2.13598 Cc1cccc2nc(C(=O)O)ccc12 Amb28184216 [0,1,0,0,0,1|0,0,1]=3 3900 B15R2.13598 Cc1cncc2cc(C(=O)O)cnc12 Amb23588590 [0,1,0,0,0,1|1,0,1]=4 3901 B15R2.13598 NC(=O)c1cnc2c(Br)cccc2c1 Amb20239489 [0,1,0,0,0,1|1,0,1]=4 3902 B15R2.13598 NC(=O)c1cnc2c(Cl)cccc2c1 Amb20239486 [0,1,0,0,0,1|1,0,1]=4 3903 B15R2.13598 NC(=O)c1cnc2c(F)cccc2c1 Amb20239484 [0,1,0,0,0,1|1,0,1]=4 3904 B15R2.13598 Nc1cccc2c1CC[C@H](C(=O)O)N2 Amb28398601 [0,1,0,0,0,1|0,0,2]=4 3905 B15R2.13598 Nc1cccc2c1NCC(C(=O)O)C2 Amb27795901 [0,1,0,0,0,1|0,0,2]=4 3906 B15R2.13598 Nc1cccc2cc(C(=O)Cl)ccc12 Amb25364151 [0,1,0,0,0,1|2,0,0]=4 3907 B15R2.13598 Nc1cccc2cc(C(=O)O)ccc12 Amb18129676 [0,1,0,0,0,1|1,0,0]=3 3908 B15R2.13598 Nc1cccc2cc(C(=O)O)cnc12 Amb25329607 [0,1,0,0,0,1|0,0,1]=3 3909 B15R2.13598 Nc1ccnc2cc(C(=O)O)cnc12 Amb31291262 [0,1,0,0,0,1|1,0,1]=4 3910 B15R2.13598 Nc1nccc2cc(C(=O)O)ccc12 Amb25905626 [0,1,0,0,0,1|2,0,0]=4 3911 B15R2.13598 Nc1nccc2cc(C(=O)O)ccc12 Amb32661110 [0,1,0,0,0,1|2,0,0]=4 3912 B15R2.13598 O=C(Cl)c1ccc2c(Br)cccc2c1 Amb27230464 [0,1,0,0,0,1|2,0,0]=4 3913 B15R2.13598 O=C(Cl)c1ccc2c(F)cccc2c1 Amb24680078 [0,1,0,0,0,1|2,0,0]=4 3914 B15R2.13598 O=C(Cl)c1ccc2c(O)cccc2c1 Amb25268176 [0,1,0,0,0,1|2,0,0]=4 3915 B15R2.13598 O=C(Cl)c1ccc2c(O)cccc2n1 Amb26469047 [0,1,0,0,0,1|1,0,1]=4 3916 B15R2.13598 O=C(Cl)c1cnc2c(O)cccc2c1 Amb24666534 [0,1,0,0,0,1|1,0,1]=4 3917 B15R2.13598 O=C(O)C1=Cc2cccc(Br)c2OC1 Amb22277106 [0,1,0,0,0,1|1,0,0]=3 3918 B15R2.13598 O=C(O)C1=Cc2cccc(Cl)c2OC1 Amb24578823 [0,1,0,0,0,1|1,0,0]=3 3919 B15R2.13598 O=C(O)C1=Cc2cccc(F)c2OC1 Amb25908919 [0,1,0,0,0,1|1,0,0]=3 3920 B15R2.13598 O=C(O)C1=Cc2cccc(O)c2OC1 Amb2372205 [0,1,0,0,0,1|1,0,0]=3 3921 B15R2.13598 O=C(O)C1CCc2c(Br)cccc2N1 Amb27387904 [0,1,0,0,0,1|0,0,2]=4 3922 B15R2.13598 O=C(O)C1CCc2c(F)cccc2N1 Amb23589674 [0,1,0,0,0,1|0,0,2]=4 3923 B15R2.13598 O=C(O)C1CCc2c(O)cccc2N1 Amb27587893 [0,1,0,0,0,1|0,0,2]=4 3924 B15R2.13598 O=C(O)C1CNc2c(Cl)cccc2C1 Amb18772189 [0,1,0,0,0,1|0,0,2]=4 3925 B15R2.13598 O=C(O)C1CNc2c(F)cccc2C1 Amb18814257 [0,1,0,0,0,1|0,0,2]=4 3926 B15R2.13598 O=C(O)C1CNc2c(O)cccc2C1 Amb18816655 [0,1,0,0,0,1|0,0,2]=4 3927 B15R2.13598 O=C(O)C1Cc2cccc(Br)c2CN1 Amb27828092 [0,1,0,0,0,1|0,0,2]=4 3928 B15R2.13598 O=C(O)C1Cc2cccc(F)c2CN1 Amb25181646 [0,1,0,0,0,1|0,0,2]=4 3929 B15R2.13598 O=C(O)[C@@H]1Cc2cccc(Cl)c2CN1 Amb27225978 [0,1,0,0,0,1|0,0,2]=4 3930 B15R2.13598 O=C(O)[C@@H]1Cc2cccc(O)c2CN1 Amb28250659 [0,1,0,0,0,1|0,0,2]=4 3931 B15R2.13598 O=C(O)[C@H]1CCc2c(Cl)cccc2N1 Amb27587862 [0,1,0,0,0,1|0,0,2]=4 3932 B15R2.13598 O=C(O)[C@H]1CCc2c(I)cccc2N1 Amb28239553 [0,1,0,0,0,1|0,0,2]=4 3933 B15R2.13598 O=C(O)[C@H]1Cc2cccc(Br)c2CN1 Amb28059975 [0,1,0,0,0,1|0,0,2]=4 3934 B15R2.13598 O=C(O)[C@H]1Cc2cccc(F)c2CN1 Amb27644523 [0,1,0,0,0,1|0,0,2]=4 3935 B15R2.13598 O=C(O)[C@H]1Cc2cccc(I)c2CN1 Amb27488349 [0,1,0,0,0,1|0,0,2]=4 3936 B15R2.13598 O=C(O)c1cc2cccc(Br)c2cn1 Amb18154629 [0,1,0,0,0,1|0,0,1]=3 3937 B15R2.13598 O=C(O)c1cc2cccc(Br)c2nn1 Amb32416374 [0,1,0,0,0,1|0,0,1]=3 3938 B15R2.13598 O=C(O)c1cc2cccc(Cl)c2cn1 Amb18778238 [0,1,0,0,0,1|0,0,1]=3 3939 B15R2.13598 O=C(O)c1cc2cccc(F)c2cn1 Amb18818993 [0,1,0,0,0,1|0,0,1]=3 3940 B15R2.13598 O=C(O)c1cc2cccc(I)c2nn1 Amb32416377 [0,1,0,0,0,1|0,0,1]=3 3941 B15R2.13598 O=C(O)c1ccc2c(Br)cccc2c1 Amb10602856 [0,1,0,0,0,1|1,0,0]=3 3942 B15R2.13598 O=C(O)c1ccc2c(Br)cccc2n1 Amb5751258 [0,1,0,0,0,1|0,0,1]=3 3943 B15R2.13598 O=C(O)c1ccc2c(Br)ccnc2c1 Amb27238632 [0,1,0,0,0,1|2,0,0]=4 3944 B15R2.13598 O=C(O)c1ccc2c(Br)cncc2c1 Amb30633828 [0,1,0,0,0,1|2,0,0]=4 3945 B15R2.13598 O=C(O)c1ccc2c(Br)nccc2c1 Amb19099723 [0,1,0,0,0,1|2,0,0]=4 3946 B15R2.13598 O=C(O)c1ccc2c(Cl)cccc2c1 Amb22728273 [0,1,0,0,0,1|1,0,0]=3 3947 B15R2.13598 O=C(O)c1ccc2c(Cl)cccc2n1 Amb22750500 [0,1,0,0,0,1|0,0,1]=3 3948 B15R2.13598 O=C(O)c1ccc2c(Cl)nccc2c1 Amb19099741 [0,1,0,0,0,1|2,0,0]=4 3949 B15R2.13598 O=C(O)c1ccc2c(F)cccc2c1 Amb24691598 [0,1,0,0,0,1|1,0,0]=3 3950 B15R2.13598 O=C(O)c1ccc2c(F)cccc2n1 Amb23448559 [0,1,0,0,0,1|0,0,1]=3 3951 B15R2.13598 O=C(O)c1ccc2c(O)cccc2c1 Amb17594867 [0,1,0,0,0,1|1,0,0]=3 3952 B15R2.13598 O=C(O)c1ccc2c(O)cccc2n1 Amb18650066 [0,1,0,0,0,1|0,0,1]=3 3953 B15R2.13598 O=C(O)c1ccc2c(O)ccnc2c1 Amb16233396 [0,1,0,0,0,1|2,0,0]=4 3954 B15R2.13598 O=C(O)c1ccc2c(O)nccc2c1 Amb22233886 [0,1,0,0,0,1|2,0,0]=4 3955 B15R2.13598 O=C(O)c1ccc2c(c1)NC=CC2=O Amb21857055 [0,1,0,0,0,1|2,0,0]=4 3956 B15R2.13598 O=C(O)c1ccc2c(c1)OC=CC2=O Amb26655923 [0,1,0,0,0,1|2,0,0]=4 3957 B15R2.13598 O=C(O)c1ccc2c(ccc[n+]2[O-])c1 Amb24601789 [0,1,0,0,0,1|2,0,0]=4 3958 B15R2.13598 O=C(O)c1ccc2c(n1)C=CNC2=O Amb28046287 [0,1,0,0,0,1|1,0,1]=4 3959 B15R2.13598 O=C(O)c1cnc2c(Br)cccc2c1 Amb17621720 [0,1,0,0,0,1|0,0,1]=3 3960 B15R2.13598 O=C(O)c1cnc2c(Br)cccc2c1 Amb22436773 [0,1,0,0,0,1|0,0,1]=3 3961 B15R2.13598 O=C(O)c1cnc2c(Br)ccnc2c1 Amb31291263 [0,1,0,0,0,1|1,0,1]=4 3962 B15R2.13598 O=C(O)c1cnc2c(Br)cncc2c1 Amb31291387 [0,1,0,0,0,1|1,0,1]=4 3963 B15R2.13598 O=C(O)c1cnc2c(Cl)cccc2c1 Amb1994236 [0,1,0,0,0,1|0,0,1]=3 3964 B15R2.13598 O=C(O)c1cnc2c(Cl)ccnc2c1 Amb31291264 [0,1,0,0,0,1|1,0,1]=4 3965 B15R2.13598 O=C(O)c1cnc2c(Cl)nccc2c1 Amb27448083 [0,1,0,0,0,1|1,0,1]=4 3966 B15R2.13598 O=C(O)c1cnc2c(F)cccc2c1 Amb17621724 [0,1,0,0,0,1|0,0,1]=3 3967 B15R2.13598 O=C(O)c1cnc2c(O)cccc2c1 Amb22899347 [0,1,0,0,0,1|0,0,1]=3 3968 B15R2.13598 O=C(O)c1cnc2c(c1)C=CNC2=O Amb27945851 [0,1,0,0,0,1|1,0,1]=4 3969 B15R2.13598 O=C(O)c1nnc2c(F)cccc2n1 Amb27962591 [0,1,0,0,0,1|1,0,1]=4 3970 B15R2.14951 CC(=O)C1=CC(=O)c2ccccc2O1 Amb27871263 [0,1,0,0,0,1|2,0,0]=4 3971 B15R2.14951 CC(=O)C1=Cc2ccccc2C(=O)N1 Amb27401122 [0,1,0,0,0,1|1,0,0]=3 3972 B15R2.14951 CC(=O)C1=Nc2ccccc2C(=O)N1 Amb22488765 [0,1,0,0,0,1|1,0,1]=4 3973 B15R2.14951 CC(=O)c1cc(C)c2ccccc2n1 Amb19104837 [0,1,0,0,0,1|1,0,1]=4 3974 B15R2.14951 CC(=O)c1cc(O)c2ccccc2c1 Amb27972988 [0,1,0,0,0,1|2,0,0]=4 3975 B15R2.14951 CC(=O)c1cc(O)c2ccccc2n1 Amb28289598 [0,1,0,0,0,1|1,0,1]=4 3976 B15R2.14951 CC(=O)c1nc(C)c2ccccc2n1 Amb28077357 [0,1,0,0,0,1|1,0,1]=4 3977 B15R2.14951 CC(=O)c1nc(Cl)c2ccccc2n1 Amb27224188 [0,1,0,0,0,1|1,0,1]=4 3978 B15R2.14951 CC1CC(C(=O)O)Nc2ccccc21 Amb27828207 [0,1,0,0,0,1|0,0,2]=4 3979 B15R2.14951 CN1CC(C(=O)O)=Cc2ccccc21 Amb27815684 [0,1,0,0,0,1|0,0,0]=2 3980 B15R2.14951 CN1CC(C(=O)O)Cc2ccccc21 Amb18650866 [0,1,0,0,0,1|0,0,2]=4 3981 B15R2.14951 CN1CC(C(=O)O)Oc2ccccc21 Amb8463146 [0,1,0,0,0,1|1,0,1]=4 3982 B15R2.14951 CN1CC(C(N)=O)=Cc2ccccc21 Amb27657583 [0,1,0,0,0,1|1,0,0]=3 3983 B15R2.14951 Cc1cc(C(=O)Cl)cc2ccccc12 Amb24451765 [0,1,0,0,0,1|2,0,0]=4 3984 B15R2.14951 Cc1cc(C(=O)O)cc2ccccc12 Amb18649291 [0,1,0,0,0,1|1,0,0]=3 3985 B15R2.14951 Cc1cc(C(=O)O)cc2cccnc12 Amb1113661 [0,1,0,0,0,1|2,0,0]=4 3986 B15R2.14951 Cc1cc(C(=O)O)nc2ccccc12 Amb1136719 [0,1,0,0,0,1|0,0,1]=3 3987 B15R2.14951 Cc1nc(C(=O)O)cc2ccccc12 Amb18821735 [0,1,0,0,0,1|0,0,1]=3 3988 B15R2.14951 Cc1nc(C(N)=O)cc2ccccc12 Amb22495051 [0,1,0,0,0,1|1,0,1]=4 3989 B15R2.14951 Cc1nc(C(N)=O)nc2ccccc12 Amb27803819 [0,1,0,0,0,1|1,0,1]=4 3990 B15R2.14951 NC(=O)C1=CC(=O)c2ccccc2N1 Amb19059645 [0,1,0,0,0,1|1,0,0]=3 3991 B15R2.14951 NC(=O)C1=Cc2ccccc2C(=O)N1 Amb19071525 [0,1,0,0,0,1|1,0,0]=3 3992 B15R2.14951 NC(=O)c1cc(Br)c2ccccc2c1 Amb26980068 [0,1,0,0,0,1|2,0,0]=4 3993 B15R2.14951 NC(=O)c1cc(N)c2ccccc2n1 Amb23401633 [0,1,0,0,0,1|1,0,1]=4 3994 B15R2.14951 NC(=O)c1cc(O)c2ccccc2c1 Amb18649500 [0,1,0,0,0,1|2,0,0]=4 3995 B15R2.14951 NC(=O)c1cc2ccccc2c(Cl)n1 Amb9215288 [0,1,0,0,0,1|1,0,1]=4 3996 B15R2.14951 Nc1cc(C(=O)Cl)cc2ccccc12 Amb25195379 [0,1,0,0,0,1|2,0,0]=4 3997 B15R2.14951 Nc1cc(C(=O)O)cc2ccccc12 Amb26522218 [0,1,0,0,0,1|1,0,0]=3 3998 B15R2.14951 Nc1cc(C(=O)O)cc2cccnc12 Amb19375283 [0,1,0,0,0,1|2,0,0]=4 3999 B15R2.14951 Nc1cc(C(=O)O)cc2cccnc12 Amb32992203 [0,1,0,0,0,1|2,0,0]=4 4000 B15R2.14951 Nc1cc(C(=O)O)nc2ccccc12 Amb20622894 [0,1,0,0,0,1|0,0,1]=3 4001 B15R2.14951 Nc1nc(C(=O)O)cc2ccccc12 Amb8856674 [0,1,0,0,0,1|0,0,1]=3 4002 B15R2.14951 O=C(Cl)C1=CC(=O)c2ccccc2O1 Amb21937110 [0,1,0,0,0,1|2,0,0]=4 4003 B15R2.14951 O=C(Cl)C1=Cc2ccccc2C(=O)S1 Amb20652900 [0,1,0,0,0,1|2,0,0]=4 4004 B15R2.14951 O=C(Cl)C1=Nc2ccccc2C(=O)N1 Amb27600000 [0,1,0,0,0,1|1,0,1]=4 4005 B15R2.14951 O=C(Cl)c1cc(Br)c2ccccc2c1 Amb27625124 [0,1,0,0,0,1|2,0,0]=4 4006 B15R2.14951 O=C(Cl)c1cc(Cl)c2ccccc2c1 Amb27790825 [0,1,0,0,0,1|2,0,0]=4 4007 B15R2.14951 O=C(Cl)c1cc(Cl)c2ccccc2n1 Amb28061180 [0,1,0,0,0,1|1,0,1]=4 4008 B15R2.14951 O=C(Cl)c1cc(F)c2ccccc2c1 Amb27412423 [0,1,0,0,0,1|2,0,0]=4 4009 B15R2.14951 O=C(Cl)c1cc(I)c2ccccc2c1 Amb26583634 [0,1,0,0,0,1|2,0,0]=4 4010 B15R2.14951 O=C(Cl)c1cc(O)c2ccccc2c1 Amb28188505 [0,1,0,0,0,1|2,0,0]=4 4011 B15R2.14951 O=C(Cl)c1cc(O)c2ccccc2n1 Amb27388831 [0,1,0,0,0,1|1,0,1]=4 4012 B15R2.14951 O=C(Cl)c1cc2ccccc2c(Cl)n1 Amb27670044 [0,1,0,0,0,1|1,0,1]=4 4013 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2N1 Amb18947772 [0,1,0,0,0,1|0,0,0]=2 4014 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2O1 Amb19078126 [0,1,0,0,0,1|1,0,0]=3 4015 B15R2.14951 O=C(O)C1=CC(=O)c2ccccc2S1 Amb18655342 [0,1,0,0,0,1|1,0,0]=3 4016 B15R2.14951 O=C(O)C1=CC(=O)c2ccncc2O1 Amb24739832 [0,1,0,0,0,1|2,0,0]=4 4017 B15R2.14951 O=C(O)C1=CC(=O)c2ccncc2O1 Amb28653252 [0,1,0,0,0,1|2,0,0]=4 4018 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)N1 Amb18650079 [0,1,0,0,0,1|0,0,0]=2 4019 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)O1 Amb18528332 [0,1,0,0,0,1|1,0,0]=3 4020 B15R2.14951 O=C(O)C1=Cc2ccccc2C(=O)S1 Amb18525898 [0,1,0,0,0,1|1,0,0]=3 4021 B15R2.14951 O=C(O)C1=Cc2cccnc2C(=O)O1 Amb28468136 [0,1,0,0,0,1|2,0,0]=4 4022 B15R2.14951 O=C(O)C1=NC(=O)c2ccccc2N1 Amb22496798 [0,1,0,0,0,1|0,0,0]=2 4023 B15R2.14951 O=C(O)C1=Nc2ccccc2C(=O)N1 Amb18650327 [0,1,0,0,0,1|0,0,1]=3 4024 B15R2.14951 O=C(O)c1cc(=O)c2ccccc2o1 Amb1151866 [0,1,0,0,0,1|1,0,0]=3 4025 B15R2.14951 O=C(O)c1cc(Br)c2ccccc2c1 Amb25905972 [0,1,0,0,0,1|1,0,0]=3 4026 B15R2.14951 O=C(O)c1cc(Br)c2ccccc2n1 Amb8630976 [0,1,0,0,0,1|0,0,1]=3 4027 B15R2.14951 O=C(O)c1cc(Br)c2ncccc2c1 Amb23440676 [0,1,0,0,0,1|2,0,0]=4 4028 B15R2.14951 O=C(O)c1cc(Cl)c2ccccc2c1 Amb18130978 [0,1,0,0,0,1|1,0,0]=3 4029 B15R2.14951 O=C(O)c1cc(Cl)c2ccccc2n1 Amb3964636 [0,1,0,0,0,1|0,0,1]=3 4030 B15R2.14951 O=C(O)c1cc(Cl)c2ccncc2n1 Amb33743424 [0,1,0,0,0,1|1,0,1]=4 4031 B15R2.14951 O=C(O)c1cc(Cl)c2ncccc2c1 Amb24435384 [0,1,0,0,0,1|2,0,0]=4 4032 B15R2.14951 O=C(O)c1cc(F)c2ccccc2c1 Amb22547565 [0,1,0,0,0,1|1,0,0]=3 4033 B15R2.14951 O=C(O)c1cc(F)c2ncccc2c1 Amb19103824 [0,1,0,0,0,1|2,0,0]=4 4034 B15R2.14951 O=C(O)c1cc(I)c2ccccc2c1 Amb26568389 [0,1,0,0,0,1|1,0,0]=3 4035 B15R2.14951 O=C(O)c1cc(O)c2ccccc2c1 Amb17594866 [0,1,0,0,0,1|1,0,0]=3 4036 B15R2.14951 O=C(O)c1cc(O)c2ccccc2n1 Amb2616921 [0,1,0,0,0,1|0,0,1]=3 4037 B15R2.14951 O=C(O)c1cc(O)c2ccccc2n1 Amb3430462 [0,1,0,0,0,1|0,0,1]=3 4038 B15R2.14951 O=C(O)c1cc(O)c2cccnc2c1 Amb24432782 [0,1,0,0,0,1|2,0,0]=4 4039 B15R2.14951 O=C(O)c1cc(O)c2ncccc2c1 Amb24521157 [0,1,0,0,0,1|2,0,0]=4 4040 B15R2.14951 O=C(O)c1cc(S)c2ccccc2n1 Amb27977166 [0,1,0,0,0,1|0,0,1]=3 4041 B15R2.14951 O=C(O)c1cc2ccccc2[n+]([O-])c1 Amb2389949 [0,1,0,0,0,1|0,0,1]=3 4042 B15R2.14951 O=C(O)c1cc2ccccc2c(Br)n1 Amb18154620 [0,1,0,0,0,1|0,0,1]=3 4043 B15R2.14951 O=C(O)c1cc2ccccc2c(Cl)n1 Amb6893036 [0,1,0,0,0,1|0,0,1]=3 4044 B15R2.14951 O=C(O)c1cc2ccccc2c(O)n1 Amb18949298 [0,1,0,0,0,1|0,0,1]=3 4045 B15R2.14951 O=C(O)c1cc2ccccc2c(S)n1 Amb18945339 [0,1,0,0,0,1|0,0,1]=3 4046 B15R2.14951 O=C(O)c1cc2cccnc2c(O)n1 Amb25906468 [0,1,0,0,0,1|1,0,1]=4 4047 B15R2.14951 O=C(O)c1cc2ccncc2c(O)n1 Amb26847221 [0,1,0,0,0,1|1,0,1]=4 4048 B15R2.14951 O=C(O)c1nc(S)c2ccccc2n1 Amb27667462 [0,1,0,0,0,1|0,0,1]=3 4049 B15R2.14951 O=C([O-])C1=CC(=O)c2ccccc2O1 Amb22489449 [0,1,0,0,0,1|1,0,1]=4 4050 B15R2.14951 O=C1CC(C(=O)O)Cc2ccccc21 Amb2388320 [0,1,0,0,0,1|1,0,1]=4 4051 B15R2.14951 O=C1CC(C(=O)O)Nc2ccccc21 Amb25111490 [0,1,0,0,0,1|0,0,1]=3 4052 B15R2.14951 O=C1CC(C(=O)O)Nc2ccccc21 Amb33756773 [0,1,0,0,0,1|0,0,1]=3 4053 B15R2.14951 O=C1CC(C(=O)O)Oc2ccccc21 Amb5723972 [0,1,0,0,0,1|1,0,1]=4 4054 B15R2.14951 O=C1CC(C(=O)O)Sc2ccccc21 Amb2612477 [0,1,0,0,0,1|1,0,1]=4 4055 B15R2.14951 O=C1C[C@@H](C(=O)O)Cc2ccccc21 Amb22747385 [0,1,0,0,0,1|1,0,1]=4 4056 B15R2.14951 O=C1NC(C(=O)O)Cc2ccccc21 Amb421011 [0,1,0,0,0,1|0,0,2]=4 4057 B15R2.14951 O=C1N[C@@H](C(=O)O)Cc2ccccc21 Amb27232745 [0,1,0,0,0,1|0,0,2]=4 4058 B15R2.14951 O=C1OC(C(=O)O)Cc2ccccc21 Amb1211949 [0,1,0,0,0,1|1,0,1]=4 4059 B15R2.14951 O=C1O[C@H](C(=O)O)Cc2ccccc21 Amb28193707 [0,1,0,0,0,1|1,0,1]=4 4060 B15R2.14951 O=C1SC(C(=O)O)Cc2ccccc21 Amb18118403 [0,1,0,0,0,1|1,0,1]=4 4061 B15R2.16121 NC1(C(=O)O)CNc2ccccc2C1 Amb28044986 [0,1,0,0,0,1|0,0,2]=4 4062 B15R2.61353 CC(=O)C1=Cc2c(Br)cccc2OC1 Amb32756623 [0,1,0,0,0,1|2,0,0]=4 4063 B15R2.61353 CC(=O)C1=Cc2c(C)cccc2OC1 Amb32756607 [0,1,0,0,0,1|2,0,0]=4 4064 B15R2.61353 CC(=O)C1=Cc2c(Cl)cccc2OC1 Amb32756595 [0,1,0,0,0,1|2,0,0]=4 4065 B15R2.61353 CC(=O)c1ccc2cccc(F)c2c1 Amb27445657 [0,1,0,0,0,1|2,0,0]=4 4066 B15R2.61353 CC(=O)c1ccc2cccc(F)c2n1 Amb27413526 [0,1,0,0,0,1|1,0,1]=4 4067 B15R2.61353 CC(=O)c1ccc2cccc(O)c2n1 Amb28201300 [0,1,0,0,0,1|1,0,1]=4 4068 B15R2.61353 Cc1cccc2c1CC(C(=O)O)C=C2 Amb17470697 [0,1,0,0,0,1|1,0,1]=4 4069 B15R2.61353 Cc1cccc2c1CC(C(=O)O)NC2 Amb6357120 [0,1,0,0,0,1|0,0,2]=4 4070 B15R2.61353 Cc1cccc2ccc(C(=O)Cl)cc12 Amb24679077 [0,1,0,0,0,1|2,0,0]=4 4071 B15R2.61353 Cc1cccc2ccc(C(=O)O)cc12 Amb26979796 [0,1,0,0,0,1|1,0,0]=3 4072 B15R2.61353 Cc1cccc2ccc(C(=O)O)nc12 Amb18649532 [0,1,0,0,0,1|0,0,1]=3 4073 B15R2.61353 Cc1cccc2cnc(C(=O)O)cc12 Amb18821747 [0,1,0,0,0,1|0,0,1]=3 4074 B15R2.61353 Cc1ccnc2ccc(C(=O)O)cc12 Amb28991244 [0,1,0,0,0,1|2,0,0]=4 4075 B15R2.61353 Cc1ccnc2ccc(C(=O)O)cc12 Amb33542396 [0,1,0,0,0,1|2,0,0]=4 4076 B15R2.61353 NC(=O)c1ccc2cccc(Br)c2n1 Amb17583537 [0,1,0,0,0,1|1,0,1]=4 4077 B15R2.61353 NC(=O)c1ccc2cccc(Cl)c2n1 Amb10834839 [0,1,0,0,0,1|1,0,1]=4 4078 B15R2.61353 NC(=O)c1ccc2cccc(F)c2n1 Amb11060138 [0,1,0,0,0,1|1,0,1]=4 4079 B15R2.61353 NC(=O)c1ccc2cccc(N)c2n1 Amb21980372 [0,1,0,0,0,1|1,0,1]=4 4080 B15R2.61353 NC(=O)c1ccc2cccc(O)c2n1 Amb8506030 [0,1,0,0,0,1|1,0,1]=4 4081 B15R2.61353 Nc1cccc2c1NC(C(=O)O)CC2 Amb6308703 [0,1,0,0,0,1|0,0,2]=4 4082 B15R2.61353 Nc1cccc2c1N[C@H](C(=O)O)CC2 Amb27225900 [0,1,0,0,0,1|0,0,2]=4 4083 B15R2.61353 Nc1cccc2ccc(C(=O)Cl)cc12 Amb25689629 [0,1,0,0,0,1|2,0,0]=4 4084 B15R2.61353 Nc1cccc2ccc(C(=O)O)cc12 Amb18129677 [0,1,0,0,0,1|1,0,0]=3 4085 B15R2.61353 Nc1cccc2ccc(C(=O)O)nc12 Amb32434759 [0,1,0,0,0,1|0,0,1]=3 4086 B15R2.61353 Nc1cccc2ccc(C(=O)O)nc12 Amb605306 [0,1,0,0,0,1|0,0,1]=3 4087 B15R2.61353 Nc1cccc2cnc(C(=O)O)cc12 Amb22496219 [0,1,0,0,0,1|0,0,1]=3 4088 B15R2.61353 Nc1cccc2ncc(C(=O)O)cc12 Amb22899320 [0,1,0,0,0,1|0,0,1]=3 4089 B15R2.61353 Nc1ccnc2ccc(C(=O)O)cc12 Amb13883942 [0,1,0,0,0,1|2,0,0]=4 4090 B15R2.61353 Nc1cncc2ccc(C(=O)O)cc12 Amb30633579 [0,1,0,0,0,1|2,0,0]=4 4091 B15R2.61353 O=C(Cl)c1ccc2cccc(Br)c2c1 Amb27643374 [0,1,0,0,0,1|2,0,0]=4 4092 B15R2.61353 O=C(Cl)c1ccc2cccc(Cl)c2c1 Amb27201703 [0,1,0,0,0,1|2,0,0]=4 4093 B15R2.61353 O=C(Cl)c1ccc2cccc(F)c2c1 Amb25703833 [0,1,0,0,0,1|2,0,0]=4 4094 B15R2.61353 O=C(Cl)c1ccc2cccc(I)c2c1 Amb27412506 [0,1,0,0,0,1|2,0,0]=4 4095 B15R2.61353 O=C(Cl)c1ccc2cccc(O)c2c1 Amb24336344 [0,1,0,0,0,1|2,0,0]=4 4096 B15R2.61353 O=C(Cl)c1ccc2cccc(O)c2n1 Amb28398041 [0,1,0,0,0,1|1,0,1]=4 4097 B15R2.61353 O=C(Cl)c1cnc2cccc(O)c2c1 Amb25177686 [0,1,0,0,0,1|1,0,1]=4 4098 B15R2.61353 O=C(O)C1=COc2cccc(Cl)c2C1 Amb27654986 [0,1,0,0,0,1|1,0,0]=3 4099 B15R2.61353 O=C(O)C1=Cc2c(Br)cccc2OC1 Amb16230768 [0,1,0,0,0,1|1,0,0]=3 4100 B15R2.61353 O=C(O)C1C=Cc2cccc(Cl)c2C1 Amb17471332 [0,1,0,0,0,1|1,0,1]=4 4101 B15R2.61353 O=C(O)C1C=Cc2cccc(F)c2C1 Amb17470810 [0,1,0,0,0,1|1,0,1]=4 4102 B15R2.61353 O=C(O)C1CCc2cccc(Br)c2N1 Amb27758796 [0,1,0,0,0,1|0,0,2]=4 4103 B15R2.61353 O=C(O)C1CCc2cccc(Cl)c2N1 Amb18772205 [0,1,0,0,0,1|0,0,2]=4 4104 B15R2.61353 O=C(O)C1CCc2cccc(F)c2N1 Amb18814267 [0,1,0,0,0,1|0,0,2]=4 4105 B15R2.61353 O=C(O)C1Cc2c(Br)cccc2CN1 Amb26995881 [0,1,0,0,0,1|0,0,2]=4 4106 B15R2.61353 O=C(O)C1Cc2c(Br)cccc2CN1 Amb32916300 [0,1,0,0,0,1|0,0,2]=4 4107 B15R2.61353 O=C(O)C1Cc2c(F)cccc2CN1 Amb26043713 [0,1,0,0,0,1|0,0,2]=4 4108 B15R2.61353 O=C(O)C1Cc2c(F)cccc2CN1 Amb33299379 [0,1,0,0,0,1|0,0,2]=4 4109 B15R2.61353 O=C(O)[C@@H]1CCc2cccc(F)c2N1 Amb27167561 [0,1,0,0,0,1|0,0,2]=4 4110 B15R2.61353 O=C(O)[C@@H]1CCc2cccc(I)c2N1 Amb27439619 [0,1,0,0,0,1|0,0,2]=4 4111 B15R2.61353 O=C(O)[C@@H]1CCc2cccc(O)c2N1 Amb27588192 [0,1,0,0,0,1|0,0,2]=4 4112 B15R2.61353 O=C(O)[C@@H]1Cc2c(Br)cccc2CN1 Amb26523044 [0,1,0,0,0,1|0,0,2]=4 4113 B15R2.61353 O=C(O)[C@@H]1Cc2c(Cl)cccc2CN1 Amb27747938 [0,1,0,0,0,1|0,0,2]=4 4114 B15R2.61353 O=C(O)[C@@H]1Cc2c(O)cccc2CN1 Amb28288363 [0,1,0,0,0,1|0,0,2]=4 4115 B15R2.61353 O=C(O)[C@H]1CCc2cccc(Br)c2N1 Amb27655016 [0,1,0,0,0,1|0,0,2]=4 4116 B15R2.61353 O=C(O)[C@H]1CCc2cccc(F)c2N1 Amb28043012 [0,1,0,0,0,1|0,0,2]=4 4117 B15R2.61353 O=C(O)[C@H]1CCc2cccc(I)c2N1 Amb27437319 [0,1,0,0,0,1|0,0,2]=4 4118 B15R2.61353 O=C(O)[C@H]1Cc2c(Br)cccc2CN1 Amb27439148 [0,1,0,0,0,1|0,0,2]=4 4119 B15R2.61353 O=C(O)[C@H]1Cc2c(F)cccc2CN1 Amb28239540 [0,1,0,0,0,1|0,0,2]=4 4120 B15R2.61353 O=C(O)[C@H]1Cc2c(I)cccc2CN1 Amb27654165 [0,1,0,0,0,1|0,0,2]=4 4121 B15R2.61353 O=C(O)c1cc2c(Br)cccc2cn1 Amb18698936 [0,1,0,0,0,1|0,0,1]=3 4122 B15R2.61353 O=C(O)c1cc2c(Cl)cccc2cn1 Amb18778239 [0,1,0,0,0,1|0,0,1]=3 4123 B15R2.61353 O=C(O)c1cc2c(F)cccc2cn1 Amb27202094 [0,1,0,0,0,1|0,0,1]=3 4124 B15R2.61353 O=C(O)c1ccc2c(c1)C(=O)C=CN2 Amb22057566 [0,1,0,0,0,1|2,0,0]=4 4125 B15R2.61353 O=C(O)c1ccc2ccc[n+]([O-])c2c1 Amb24370360 [0,1,0,0,0,1|2,0,0]=4 4126 B15R2.61353 O=C(O)c1ccc2cccc(Br)c2c1 Amb33549130 [0,1,0,0,0,1|1,0,0]=3 4127 B15R2.61353 O=C(O)c1ccc2cccc(Br)c2n1 Amb9768228 [0,1,0,0,0,1|0,0,1]=3 4128 B15R2.61353 O=C(O)c1ccc2cccc(Cl)c2c1 Amb25679838 [0,1,0,0,0,1|1,0,0]=3 4129 B15R2.61353 O=C(O)c1ccc2cccc(Cl)c2n1 Amb9768229 [0,1,0,0,0,1|0,0,1]=3 4130 B15R2.61353 O=C(O)c1ccc2cccc(F)c2c1 Amb25299188 [0,1,0,0,0,1|1,0,0]=3 4131 B15R2.61353 O=C(O)c1ccc2cccc(F)c2n1 Amb9768230 [0,1,0,0,0,1|0,0,1]=3 4132 B15R2.61353 O=C(O)c1ccc2cccc(I)c2c1 Amb27599685 [0,1,0,0,0,1|1,0,0]=3 4133 B15R2.61353 O=C(O)c1ccc2cccc(I)c2n1 Amb5751260 [0,1,0,0,0,1|0,0,1]=3 4134 B15R2.61353 O=C(O)c1ccc2cccc(O)c2c1 Amb17594869 [0,1,0,0,0,1|1,0,0]=3 4135 B15R2.61353 O=C(O)c1ccc2cccc(O)c2n1 Amb2227505 [0,1,0,0,0,1|0,0,1]=3 4136 B15R2.61353 O=C(O)c1ccc2ccnc(Br)c2c1 Amb18346648 [0,1,0,0,0,1|2,0,0]=4 4137 B15R2.61353 O=C(O)c1ccc2ccnc(Cl)c2c1 Amb19099743 [0,1,0,0,0,1|2,0,0]=4 4138 B15R2.61353 O=C(O)c1ccc2ccnc(Cl)c2n1 Amb33620605 [0,1,0,0,0,1|1,0,1]=4 4139 B15R2.61353 O=C(O)c1ccc2ccnc(O)c2c1 Amb22233887 [0,1,0,0,0,1|2,0,0]=4 4140 B15R2.61353 O=C(O)c1ccc2ccnc(O)c2n1 Amb33743360 [0,1,0,0,0,1|1,0,1]=4 4141 B15R2.61353 O=C(O)c1ccc2cncc(Br)c2c1 Amb28434913 [0,1,0,0,0,1|2,0,0]=4 4142 B15R2.61353 O=C(O)c1ccc2cncc(Br)c2n1 Amb2691398 [0,1,0,0,0,1|1,0,1]=4 4143 B15R2.61353 O=C(O)c1ccc2nccc(Br)c2c1 Amb19957668 [0,1,0,0,0,1|2,0,0]=4 4144 B15R2.61353 O=C(O)c1ccc2nccc(Cl)c2c1 Amb20241693 [0,1,0,0,0,1|2,0,0]=4 4145 B15R2.61353 O=C(O)c1cnc2cccc(Br)c2c1 Amb22899335 [0,1,0,0,0,1|0,0,1]=3 4146 B15R2.61353 O=C(O)c1cnc2cccc(Cl)c2c1 Amb22899334 [0,1,0,0,0,1|0,0,1]=3 4147 B15R2.61353 O=C(O)c1cnc2cccc(F)c2c1 Amb22899333 [0,1,0,0,0,1|0,0,1]=3 4148 B15R2.61353 O=C(O)c1cnc2cccc(O)c2c1 Amb22899340 [0,1,0,0,0,1|0,0,1]=3 4149 B15R2.61353 O=C(O)c1cnc2ccnc(Cl)c2c1 Amb28429698 [0,1,0,0,0,1|1,0,1]=4 4150 B15R2.61353 O=C([O-])c1ccc2cccc(O)c2n1 Amb33513224 [0,1,0,0,0,1|0,0,2]=4 4151 B15R2.61353 [NH3+]c1cccc2ccc(C(=O)O)nc12 Amb24113228 [0,1,0,0,0,1|0,0,1]=3 4152 B15R2.630 Cc1c(S(=O)(=O)O)sc2ccccc12 Amb27186129 [0,2,0,0,0,0|2,0,0]=4 4153 B15R2.630 Cn1c(C(C)(C)O)cc2ccccc21 Amb25943672 [0,2,0,0,0,0|1,0,1]=4 4154 B15R2.630 Cn1c(S(=O)(=O)Cl)cc2ccccc21 Amb28383802 [0,2,0,0,0,0|1,0,1]=4 4155 B15R2.630 Cn1c(S(=O)(=O)F)cc2ccccc21 Amb25707714 [0,2,0,0,0,0|1,0,1]=4 4156 B15R2.630 Cn1c(S(=O)(=O)O)nc2ccccc21 Amb1153447 [0,2,0,0,0,0|2,0,0]=4 4157 B15R2.630 Cn1c(S(N)(=O)=O)cc2ccccc21 Amb33263240 [0,2,0,0,0,0|1,0,1]=4 4158 B15R2.630 Nn1c(S(=O)(=O)O)nc2ccccc21 Amb6336595 [0,2,0,0,0,0|2,0,0]=4 4159 B15R2.630 O=S(=O)(O)c1nc2ccccc2n1O Amb27619789 [0,2,0,0,0,0|2,0,0]=4 4160 B15R2.1592 C=C(CBr)c1cc2ccccc2n1C Amb33432508 [0,2,0,0,0,0|2,0,0]=4 4161 B15R2.1592 C=C(CN)c1cc2ccccc2n1C Amb33343645 [0,2,0,0,0,0|2,0,0]=4 4162 B15R2.1592 C=CC(=O)c1cc2ccccc2n1C Amb33344360 [0,2,0,0,0,0|1,0,0]=3 4163 B15R2.1592 C=CC(=O)c1oc2ccccc2c1C Amb33422880 [0,2,0,0,0,0|2,0,0]=4 4164 B15R2.1592 C=CC(=O)c1sc2ccccc2c1C Amb27962730 [0,2,0,0,0,0|2,0,0]=4 4165 B15R2.1592 C=CC(O)c1cc2ccccc2n1C Amb33344361 [0,2,0,0,0,0|1,0,1]=4 4166 B15R2.1592 CC(C=O)c1cc2ccccc2n1C Amb33343650 [0,2,0,0,0,0|1,0,1]=4 4167 B15R2.1592 CC(ON)c1cc2ccccc2n1C Amb33344089 [0,2,0,0,0,0|1,0,1]=4 4168 B15R2.1592 CC1=C(C(=O)NN)Cc2ccccc21 Amb27954848 [0,2,0,0,0,0|2,0,0]=4 4169 B15R2.1592 CNC(=O)C1=C(C)c2ccccc2C1 Amb24753169 [0,2,0,0,0,0|2,0,0]=4 4170 B15R2.1592 CNC(=O)N1Nc2ccccc2C1=O Amb28073046 [0,2,0,0,0,0|2,0,0]=4 4171 B15R2.1592 CNC(=O)c1cc2ccccc2n1C Amb20369248 [0,2,0,0,0,0|1,0,0]=3 4172 B15R2.1592 CNC(=O)c1sc2ccccc2c1C Amb9163778 [0,2,0,0,0,0|2,0,0]=4 4173 B15R2.1592 CNC(=O)c1sc2ccccc2c1Cl Amb1571403 [0,2,0,0,0,0|2,0,0]=4 4174 B15R2.1592 COC(=O)C1=C(C)c2ccccc2C1 Amb17778900 [0,2,0,0,0,0|1,0,0]=3 4175 B15R2.1592 COC(=O)C1=C(N)c2ccccc2C1 Amb27865544 [0,2,0,0,0,0|1,0,0]=3 4176 B15R2.1592 COC(=O)C1=Cc2ccccc2C1C Amb17778907 [0,2,0,0,0,0|1,0,0]=3 4177 B15R2.1592 COC(=O)C1=Cc2ccccc2C1O Amb27753019 [0,2,0,0,0,0|1,0,0]=3 4178 B15R2.1592 COC(=O)C1Cc2ccccc2C1=O Amb4009663 [0,2,0,0,0,0|1,0,1]=4 4179 B15R2.1592 COC(=O)C1Oc2ccccc2C1=O Amb18817903 [0,2,0,0,0,0|1,0,1]=4 4180 B15R2.1592 COC(=O)c1cc2ccccc2n1C Amb33528342 [0,2,0,0,0,0|0,0,0]=2 4181 B15R2.1592 COC(=O)c1cc2ccccc2n1N Amb25076990 [0,2,0,0,0,0|0,0,0]=2 4182 B15R2.1592 COC(=O)c1cc2ccccn2c1N Amb26494397 [0,2,0,0,0,0|2,0,0]=4 4183 B15R2.1592 COC(=O)c1cc2cccnc2n1C Amb20671413 [0,2,0,0,0,0|1,0,0]=3 4184 B15R2.1592 COC(=O)c1cc2cnccc2n1C Amb32723096 [0,2,0,0,0,0|1,0,0]=3 4185 B15R2.1592 COC(=O)c1nc2ccccc2n1C Amb2732581 [0,2,0,0,0,0|1,0,0]=3 4186 B15R2.1592 COC(=O)c1nc2ccccn2c1Br Amb19516888 [0,2,0,0,0,0|1,0,1]=4 4187 B15R2.1592 COC(=O)c1nc2ccccn2c1Br Amb22587414 [0,2,0,0,0,0|1,0,1]=4 4188 B15R2.1592 COC(=O)c1nc2ccccn2c1F Amb33527314 [0,2,0,0,0,0|1,0,1]=4 4189 B15R2.1592 COC(=O)c1nc2ccccn2c1N Amb27970279 [0,2,0,0,0,0|1,0,1]=4 4190 B15R2.1592 COC(=O)c1nn2ccccc2c1Br Amb33330075 [0,2,0,0,0,0|1,0,1]=4 4191 B15R2.1592 COC(=O)c1oc2ccccc2c1C Amb1923722 [0,2,0,0,0,0|1,0,0]=3 4192 B15R2.1592 COC(=O)c1oc2ccccc2c1N Amb1769458 [0,2,0,0,0,0|1,0,0]=3 4193 B15R2.1592 COC(=O)c1oc2ccccc2c1O Amb10074954 [0,2,0,0,0,0|1,0,0]=3 4194 B15R2.1592 COC(=O)c1oc2cccnc2c1N Amb24096060 [0,2,0,0,0,0|2,0,0]=4 4195 B15R2.1592 COC(=O)c1oc2cccnc2c1O Amb24066723 [0,2,0,0,0,0|2,0,0]=4 4196 B15R2.1592 COC(=O)c1sc2ccccc2[n+]1[O-] Amb27777653 [0,2,0,0,0,0|1,0,1]=4 4197 B15R2.1592 COC(=O)c1sc2ccccc2c1Br Amb22736105 [0,2,0,0,0,0|1,0,0]=3 4198 B15R2.1592 COC(=O)c1sc2ccccc2c1C Amb6357588 [0,2,0,0,0,0|1,0,0]=3 4199 B15R2.1592 COC(=O)c1sc2ccccc2c1Cl Amb6365985 [0,2,0,0,0,0|1,0,0]=3 4200 B15R2.1592 COC(=O)c1sc2ccccc2c1N Amb6384879 [0,2,0,0,0,0|1,0,0]=3 4201 B15R2.1592 COC(=O)c1sc2ccccc2c1O Amb2722625 [0,2,0,0,0,0|1,0,0]=3 4202 B15R2.1592 COC(=O)c1sc2cccnc2c1Br Amb25871771 [0,2,0,0,0,0|2,0,0]=4 4203 B15R2.1592 COC(=O)c1sc2cccnc2c1N Amb10067660 [0,2,0,0,0,0|2,0,0]=4 4204 B15R2.1592 COC(=O)c1sc2cccnc2c1O Amb13882974 [0,2,0,0,0,0|2,0,0]=4 4205 B15R2.1592 COC(=O)c1sc2ccncc2c1C Amb27866371 [0,2,0,0,0,0|2,0,0]=4 4206 B15R2.1592 COC(=O)c1sc2ccncc2c1N Amb18656154 [0,2,0,0,0,0|2,0,0]=4 4207 B15R2.1592 COC(=O)c1sc2cnccc2c1Br Amb24730581 [0,2,0,0,0,0|2,0,0]=4 4208 B15R2.1592 COC(=O)c1sc2cnccc2c1C Amb13890518 [0,2,0,0,0,0|2,0,0]=4 4209 B15R2.1592 COC(=O)c1sc2cnccc2c1Cl Amb27630344 [0,2,0,0,0,0|2,0,0]=4 4210 B15R2.1592 COC(=O)c1sc2cnccc2c1N Amb2405274 [0,2,0,0,0,0|2,0,0]=4 4211 B15R2.1592 COC(=O)c1sc2cnccc2c1O Amb25696453 [0,2,0,0,0,0|2,0,0]=4 4212 B15R2.1592 COC(=O)c1sc2ncccc2c1I Amb24659540 [0,2,0,0,0,0|2,0,0]=4 4213 B15R2.1592 COC(=O)c1sc2ncccc2c1N Amb1092577 [0,2,0,0,0,0|2,0,0]=4 4214 B15R2.1592 COC(=O)c1sc2ncccc2c1O Amb2424085 [0,2,0,0,0,0|2,0,0]=4 4215 B15R2.1592 C\C(=N/O)c1oc2ccccc2c1C Amb7969800 [0,2,0,0,0,0|2,0,0]=4 4216 B15R2.1592 Cc1c(C(=N)NO)oc2ccccc12 Amb28134034 [0,2,0,0,0,0|2,0,0]=4 4217 B15R2.1592 Cc1c(C(=O)CBr)oc2ccccc12 Amb1105359 [0,2,0,0,0,0|2,0,0]=4 4218 B15R2.1592 Cc1c(C(=O)CBr)sc2ccccc12 Amb1665516 [0,2,0,0,0,0|2,0,0]=4 4219 B15R2.1592 Cc1c(C(=O)CCl)oc2ccccc12 Amb24468256 [0,2,0,0,0,0|2,0,0]=4 4220 B15R2.1592 Cc1c(C(=O)CN)oc2ccccc12 Amb18820527 [0,2,0,0,0,0|2,0,0]=4 4221 B15R2.1592 Cc1c(C(=O)NN)oc2ccccc12 Amb6394195 [0,2,0,0,0,0|2,0,0]=4 4222 B15R2.1592 Cc1c(C(=O)NN)sc2ccccc12 Amb8858580 [0,2,0,0,0,0|2,0,0]=4 4223 B15R2.1592 Cn1c(C(=N)NO)cc2ccccc21 Amb24754444 [0,2,0,0,0,0|1,0,0]=3 4224 B15R2.1592 Cn1c(C(=O)C=O)cc2ccccc21 Amb27189431 [0,2,0,0,0,0|0,0,1]=3 4225 B15R2.1592 Cn1c(C(=O)CBr)nc2ccccc21 Amb2723074 [0,2,0,0,0,0|2,0,0]=4 4226 B15R2.1592 Cn1c(C(=O)CCl)cc2ccccc21 Amb26377662 [0,2,0,0,0,0|1,0,0]=3 4227 B15R2.1592 Cn1c(C(=O)CN)cc2ccccc21 Amb18821011 [0,2,0,0,0,0|1,0,0]=3 4228 B15R2.1592 Cn1c(C(=O)CN)nc2ccccc21 Amb27423809 [0,2,0,0,0,0|2,0,0]=4 4229 B15R2.1592 Cn1c(C(=O)NN)cc2ccccc21 Amb1789367 [0,2,0,0,0,0|1,0,0]=3 4230 B15R2.1592 Cn1c(C(N)CO)cc2ccccc21 Amb26468874 [0,2,0,0,0,0|1,0,1]=4 4231 B15R2.1592 Cn1c(C(O)CBr)cc2ccccc21 Amb33432496 [0,2,0,0,0,0|1,0,1]=4 4232 B15R2.1592 Cn1c(C(O)CF)cc2ccccc21 Amb33343649 [0,2,0,0,0,0|1,0,1]=4 4233 B15R2.1592 Cn1c(C(O)CN)cc2ccccc21 Amb18819229 [0,2,0,0,0,0|1,0,1]=4 4234 B15R2.1592 Cn1c(C(O)CO)cc2ccccc21 Amb22900984 [0,2,0,0,0,0|0,0,2]=4 4235 B15R2.1592 Cn1c([C@@H](N)CO)cc2ccccc21 Amb24696064 [0,2,0,0,0,0|1,0,1]=4 4236 B15R2.1592 Cn1c([C@@H](O)CN)cc2ccccc21 Amb33344353 [0,2,0,0,0,0|1,0,1]=4 4237 B15R2.1592 Cn1c([C@H](N)CO)cc2ccccc21 Amb25784878 [0,2,0,0,0,0|1,0,1]=4 4238 B15R2.1592 Cn1c([C@H](O)CN)cc2ccccc21 Amb33344350 [0,2,0,0,0,0|1,0,1]=4 4239 B15R2.1592 NCC(=O)c1oc2ccccc2c1Br Amb27962644 [0,2,0,0,0,0|2,0,0]=4 4240 B15R2.1592 NCC(=O)c1sc2ccccc2c1Cl Amb26529871 [0,2,0,0,0,0|2,0,0]=4 4241 B15R2.1592 NCC(=O)c1sc2ccccc2c1Cl Amb30289707 [0,2,0,0,0,0|2,0,0]=4 4242 B15R2.1592 NNC(=O)c1sc2ccccc2c1Cl Amb6336383 [0,2,0,0,0,0|2,0,0]=4 4243 B15R2.1592 O=C(NO)c1sc2ccccc2[n+]1[O-] Amb27423876 [0,2,0,0,0,0|1,0,1]=4 4244 B15R2.1592 O=C(NO)c1sc2ccccc2c1Cl Amb1149772 [0,2,0,0,0,0|1,0,0]=3 4245 B15R2.4190 C#Cn1c(B(O)O)cc2ccccc21 Amb27642744 [0,2,0,0,0,0|1,0,1]=4 4246 B15R2.4190 CC(=O)c1oc2ccccc2c1C=O Amb28133167 [0,2,0,0,0,0|2,0,0]=4 4247 B15R2.4190 CCc1c(C(=O)O)cn2ccccc12 Amb18820530 [0,2,0,0,0,0|2,0,0]=4 4248 B15R2.4190 CCc1c(C(=O)O)oc2ccccc12 Amb33529283 [0,2,0,0,0,0|1,0,0]=3 4249 B15R2.4190 CCc1c(C(=O)O)oc2ccncc12 Amb27445574 [0,2,0,0,0,0|2,0,0]=4 4250 B15R2.4190 CCc1c(C(=O)O)sc2ccccc12 Amb18119198 [0,2,0,0,0,0|1,0,0]=3 4251 B15R2.4190 CCc1c(C(C)=O)oc2ccccc12 Amb415924 [0,2,0,0,0,0|2,0,0]=4 4252 B15R2.4190 CCc1c(C(C)=O)sc2ccccc12 Amb27959093 [0,2,0,0,0,0|2,0,0]=4 4253 B15R2.4190 CCn1c(C(=O)O)cc2ccccc21 Amb6715881 [0,2,0,0,0,0|0,0,0]=2 4254 B15R2.4190 CCn1c(C(=O)O)nc2ccccc21 Amb19649802 [0,2,0,0,0,0|1,0,0]=3 4255 B15R2.4190 CCn1c(C(=O)O)nc2cccnc21 Amb8009399 [0,2,0,0,0,0|2,0,0]=4 4256 B15R2.4190 CCn1c(C(=O)[O-])nc2ccccc21 Amb32412710 [0,2,0,0,0,0|1,0,1]=4 4257 B15R2.4190 CCn1c(C(C)=O)nc2ccccc21 Amb10561216 [0,2,0,0,0,0|2,0,0]=4 4258 B15R2.4190 COc1c(C(=O)O)oc2ccccc12 Amb10074170 [0,2,0,0,0,0|1,0,0]=3 4259 B15R2.4190 COc1c(C(=O)O)oc2cnccc12 Amb25361038 [0,2,0,0,0,0|2,0,0]=4 4260 B15R2.4190 COc1c(C(=O)O)sc2ccncc12 Amb26654156 [0,2,0,0,0,0|2,0,0]=4 4261 B15R2.4190 COc1c(C(=O)O)sc2cnccc12 Amb27390171 [0,2,0,0,0,0|2,0,0]=4 4262 B15R2.4190 COc1c(C(=O)O)sc2ncccc12 Amb27751355 [0,2,0,0,0,0|2,0,0]=4 4263 B15R2.4190 COn1c(C(N)=O)cc2ccccc21 Amb27984774 [0,2,0,0,0,0|1,0,0]=3 4264 B15R2.4190 N#CN1c2ccccc2CC1C(=O)O Amb29870737 [0,2,0,0,0,0|0,0,2]=4 4265 B15R2.4190 N#CN1c2ccccc2C[C@H]1C(=O)O Amb29870738 [0,2,0,0,0,0|0,0,2]=4 4266 B15R2.4190 NCc1c(C(=O)O)oc2ccccc12 Amb28045086 [0,2,0,0,0,0|1,0,0]=3 4267 B15R2.4190 NCc1c(C(=O)O)oc2ccccc12 Amb32664319 [0,2,0,0,0,0|1,0,0]=3 4268 B15R2.4190 NCc1c(C(=O)O)sc2ccccc12 Amb24463007 [0,2,0,0,0,0|1,0,0]=3 4269 B15R2.4190 NCc1c(C(N)=O)oc2ccccc12 Amb13952610 [0,2,0,0,0,0|2,0,0]=4 4270 B15R2.4190 NNc1c(C(=O)O)sc2ccccc12 Amb33306883 [0,2,0,0,0,0|1,0,0]=3 4271 B15R2.4190 O=C(O)c1oc2ccccc2c1CBr Amb10594078 [0,2,0,0,0,0|1,0,0]=3 4272 B15R2.4190 O=C(O)c1oc2ccccc2c1CO Amb33551939 [0,2,0,0,0,0|1,0,0]=3 4273 B15R2.4190 O=C(O)c1sc2ccccc2c1CBr Amb27219932 [0,2,0,0,0,0|1,0,0]=3 4274 B15R2.4190 O=Cc1c(C(=O)O)nc2ccccn12 Amb7172902 [0,2,0,0,0,0|1,0,1]=4 4275 B15R2.4190 O=Cc1c(C(=O)O)nn2ccccc12 Amb33456926 [0,2,0,0,0,0|1,0,1]=4 4276 B15R2.4190 O=Cc1c(C(=O)O)oc2ccccc12 Amb18819852 [0,2,0,0,0,0|1,0,0]=3 4277 B15R2.4190 O=Cc1c(C(=O)O)oc2cccnc12 Amb33192491 [0,2,0,0,0,0|2,0,0]=4 4278 B15R2.4190 O=Cc1c(C(=O)O)sc2ccccc12 Amb24506369 [0,2,0,0,0,0|1,0,0]=3 4279 B15R2.4190 O=NN1c2ccccc2CC1C(=O)O Amb24426172 [0,2,0,0,0,0|0,0,2]=4 4280 B15R2.4190 O=Nc1c(C(=O)O)nc2ccccn12 Amb18113731 [0,2,0,0,0,0|1,0,1]=4 4281 B15R2.7203 CC(=O)c1cc2ncc(F)cc2n1C Amb28199212 [0,2,0,0,0,0|2,0,0]=4 4282 B15R2.7203 CC(=O)c1nc2ccc(Cl)cc2n1C Amb20669204 [0,2,0,0,0,0|2,0,0]=4 4283 B15R2.7203 CC(=O)c1nc2ccc(O)cc2n1C Amb27406735 [0,2,0,0,0,0|2,0,0]=4 4284 B15R2.7203 CC(=O)c1oc2ccc(Br)cc2c1C Amb9212303 [0,2,0,0,0,0|2,0,0]=4 4285 B15R2.7203 CC(=O)c1oc2ccc(Br)cc2c1N Amb22498121 [0,2,0,0,0,0|2,0,0]=4 4286 B15R2.7203 CC(=O)c1oc2ccc(C)cc2c1C Amb9213494 [0,2,0,0,0,0|2,0,0]=4 4287 B15R2.7203 CC(=O)c1sc2ccc(C)cc2c1C Amb2753800 [0,2,0,0,0,0|2,0,0]=4 4288 B15R2.7203 CC(=O)c1sc2ccc(Cl)cc2c1C Amb2753783 [0,2,0,0,0,0|2,0,0]=4 4289 B15R2.7203 CC(=O)c1sc2ccc(F)cc2c1C Amb8845518 [0,2,0,0,0,0|2,0,0]=4 4290 B15R2.7203 CC1=C(C(=O)O)Cc2ccc(C)cc21 Amb18649886 [0,2,0,0,0,0|1,0,0]=3 4291 B15R2.7203 CC1=C(C(=O)O)NC2=CNC(=O)C=C21 Amb27477727 [0,2,0,0,0,0|1,0,0]=3 4292 B15R2.7203 Cc1c(C(=O)O)nc2ccc(Cl)cn12 Amb25108416 [0,2,0,0,0,0|1,0,1]=4 4293 B15R2.7203 Cc1c(C(=O)O)oc2ccc(Br)cc12 Amb15532 [0,2,0,0,0,0|1,0,0]=3 4294 B15R2.7203 Cc1c(C(=O)O)oc2ccc(Cl)cc12 Amb1550352 [0,2,0,0,0,0|1,0,0]=3 4295 B15R2.7203 Cc1c(C(=O)O)oc2ccc(F)cc12 Amb1256942 [0,2,0,0,0,0|1,0,0]=3 4296 B15R2.7203 Cc1c(C(=O)O)oc2ccc(I)cc12 Amb8845249 [0,2,0,0,0,0|1,0,0]=3 4297 B15R2.7203 Cc1c(C(=O)O)oc2ccc(N)cc12 Amb10789176 [0,2,0,0,0,0|1,0,0]=3 4298 B15R2.7203 Cc1c(C(=O)O)sc2ccc(Br)cc12 Amb8996760 [0,2,0,0,0,0|1,0,0]=3 4299 B15R2.7203 Cc1c(C(=O)O)sc2ccc(Cl)cc12 Amb33542127 [0,2,0,0,0,0|1,0,0]=3 4300 B15R2.7203 Cc1c(C(=O)O)sc2ccc(F)cc12 Amb8845448 [0,2,0,0,0,0|1,0,0]=3 4301 B15R2.7203 Cc1c(C(=O)O)sc2ccc(I)cc12 Amb24554398 [0,2,0,0,0,0|1,0,0]=3 4302 B15R2.7203 Cc1c(C(=O)O)sc2ccc(N)cc12 Amb24375734 [0,2,0,0,0,0|1,0,0]=3 4303 B15R2.7203 Cc1c(C(=O)O)sc2ccc(O)cc12 Amb18656144 [0,2,0,0,0,0|1,0,0]=3 4304 B15R2.7203 Cc1c(C(=O)O)sc2cnc(Cl)cc12 Amb27794930 [0,2,0,0,0,0|2,0,0]=4 4305 B15R2.7203 Cc1c(C(N)=O)oc2ccc(Br)cc12 Amb8998166 [0,2,0,0,0,0|2,0,0]=4 4306 B15R2.7203 Cc1c(S(=O)O)sc2ccc(Cl)cc12 Amb25771600 [0,2,0,0,0,0|2,0,0]=4 4307 B15R2.7203 Cc1ccc2cc(C(=O)O)n(C)c2c1 Amb9768427 [0,2,0,0,0,0|0,0,0]=2 4308 B15R2.7203 Cc1ccc2cc(C(=O)O)n(C)c2n1 Amb28129514 [0,2,0,0,0,0|1,0,0]=3 4309 B15R2.7203 Cc1ccc2nc(C(=O)O)c(Br)n2c1 Amb27800618 [0,2,0,0,0,0|1,0,1]=4 4310 B15R2.7203 Cc1ccc2nc(C(=O)O)c(C)n2c1 Amb22234326 [0,2,0,0,0,0|1,0,1]=4 4311 B15R2.7203 Cc1ccc2nc(C(=O)O)c(Cl)n2c1 Amb27401498 [0,2,0,0,0,0|1,0,1]=4 4312 B15R2.7203 Cc1ccc2nc(C(=O)O)c(F)n2c1 Amb22492374 [0,2,0,0,0,0|1,0,1]=4 4313 B15R2.7203 Cc1ccc2nc(C(=O)O)c(F)n2c1 Amb22587433 [0,2,0,0,0,0|1,0,1]=4 4314 B15R2.7203 Cc1ccc2oc(C(=O)Cl)c(C)c2c1 Amb5559925 [0,2,0,0,0,0|2,0,0]=4 4315 B15R2.7203 Cc1ccc2oc(C(=O)O)c(C)c2c1 Amb1214420 [0,2,0,0,0,0|1,0,0]=3 4316 B15R2.7203 Cc1ccc2oc(C(=O)O)c(Cl)c2c1 Amb18773324 [0,2,0,0,0,0|1,0,0]=3 4317 B15R2.7203 Cc1ccc2oc(C(=O)O)c(N)c2c1 Amb26469337 [0,2,0,0,0,0|1,0,0]=3 4318 B15R2.7203 Cc1ccc2oc(C(=O)O)c(O)c2c1 Amb28342926 [0,2,0,0,0,0|1,0,0]=3 4319 B15R2.7203 Cc1ccc2oc(C(N)=O)c(C)c2c1 Amb28282800 [0,2,0,0,0,0|2,0,0]=4 4320 B15R2.7203 Cc1ccc2sc(C(=O)Cl)c(Cl)c2c1 Amb17442430 [0,2,0,0,0,0|2,0,0]=4 4321 B15R2.7203 Cc1ccc2sc(C(=O)O)c(C)c2c1 Amb8845447 [0,2,0,0,0,0|1,0,0]=3 4322 B15R2.7203 Cc1ccc2sc(C(=O)O)c(Cl)c2c1 Amb17496755 [0,2,0,0,0,0|1,0,0]=3 4323 B15R2.7203 Cc1ccc2sc(C(=O)O)c(F)c2c1 Amb25873583 [0,2,0,0,0,0|1,0,0]=3 4324 B15R2.7203 Cc1ccc2sc(C(=O)O)c(O)c2c1 Amb28132534 [0,2,0,0,0,0|1,0,0]=3 4325 B15R2.7203 Cc1ccc2sc(C(=O)O)c(S)c2c1 Amb27786416 [0,2,0,0,0,0|1,0,0]=3 4326 B15R2.7203 Cc1ccn2nc(C(=O)O)c(Br)c2c1 Amb27642328 [0,2,0,0,0,0|1,0,1]=4 4327 B15R2.7203 Cc1ncc2cc(C(=O)O)n(C)c2n1 Amb18680976 [0,2,0,0,0,0|2,0,0]=4 4328 B15R2.7203 Cn1c(B(O)O)cc2ccc(Cl)cc21 Amb10071165 [0,2,0,0,0,0|1,0,1]=4 4329 B15R2.7203 Cn1c(B(O)O)cc2ccc(F)cc21 Amb27636792 [0,2,0,0,0,0|1,0,1]=4 4330 B15R2.7203 Cn1c(C(=O)O)cc2ccc(Br)cc21 Amb9768393 [0,2,0,0,0,0|0,0,0]=2 4331 B15R2.7203 Cn1c(C(=O)O)cc2ccc(Cl)cc21 Amb9768448 [0,2,0,0,0,0|0,0,0]=2 4332 B15R2.7203 Cn1c(C(=O)O)cc2ccc(Cl)nc21 Amb25787155 [0,2,0,0,0,0|1,0,0]=3 4333 B15R2.7203 Cn1c(C(=O)O)cc2ccc(F)cc21 Amb9768350 [0,2,0,0,0,0|0,0,0]=2 4334 B15R2.7203 Cn1c(C(=O)O)cc2ccc(O)cc21 Amb18818927 [0,2,0,0,0,0|0,0,0]=2 4335 B15R2.7203 Cn1c(C(=O)O)cc2cnc(Cl)cc21 Amb27842266 [0,2,0,0,0,0|1,0,0]=3 4336 B15R2.7203 Cn1c(C(=O)O)cc2cnc(Cl)nc21 Amb25787156 [0,2,0,0,0,0|2,0,0]=4 4337 B15R2.7203 Cn1c(C(=O)O)cc2cnc(N)nc21 Amb25851340 [0,2,0,0,0,0|2,0,0]=4 4338 B15R2.7203 Cn1c(C(=O)O)cc2ncc(Br)cc21 Amb34912710 [0,2,0,0,0,0|1,0,0]=3 4339 B15R2.7203 Cn1c(C(=O)O)cc2ncc(F)cc21 Amb27804322 [0,2,0,0,0,0|1,0,0]=3 4340 B15R2.7203 NC(=O)c1oc2ccc(Br)cc2c1N Amb6337585 [0,2,0,0,0,0|2,0,0]=4 4341 B15R2.7203 NC(=O)c1oc2ccc(Cl)cc2c1N Amb677881 [0,2,0,0,0,0|2,0,0]=4 4342 B15R2.7203 NC(=O)c1oc2ccc(Cl)cc2c1O Amb22749536 [0,2,0,0,0,0|2,0,0]=4 4343 B15R2.7203 NC(=O)c1oc2ccc(N)cc2c1N Amb27882912 [0,2,0,0,0,0|2,0,0]=4 4344 B15R2.7203 NC(=O)c1oc2ccc(O)cc2c1N Amb28367714 [0,2,0,0,0,0|2,0,0]=4 4345 B15R2.7203 Nc1c(C(=O)O)oc2ccc(Br)cc12 Amb22498414 [0,2,0,0,0,0|1,0,0]=3 4346 B15R2.7203 Nc1c(C(=O)O)oc2ccc(Cl)cc12 Amb24097474 [0,2,0,0,0,0|1,0,0]=3 4347 B15R2.7203 Nc1c(C(=O)O)oc2ccc(F)cc12 Amb25914287 [0,2,0,0,0,0|1,0,0]=3 4348 B15R2.7203 Nc1c(C(=O)O)sc2ccc(Br)cc12 Amb27790871 [0,2,0,0,0,0|1,0,0]=3 4349 B15R2.7203 Nc1c(C(=O)O)sc2ccc(Cl)nc12 Amb27604497 [0,2,0,0,0,0|2,0,0]=4 4350 B15R2.7203 Nc1c(C(=O)O)sc2ccc(F)cc12 Amb27223916 [0,2,0,0,0,0|1,0,0]=3 4351 B15R2.7203 Nc1c(C(=O)O)sc2ccc(I)cc12 Amb27460315 [0,2,0,0,0,0|1,0,0]=3 4352 B15R2.7203 Nc1ccc2nc(C(=O)O)c(N)n2c1 Amb18112958 [0,2,0,0,0,0|1,0,1]=4 4353 B15R2.7203 Nc1ccc2nc(C(=O)O)n(O)c2c1 Amb29845184 [0,2,0,0,0,0|1,0,0]=3 4354 B15R2.7203 Nc1ccc2oc(C(=O)O)c(Cl)c2c1 Amb32672800 [0,2,0,0,0,0|1,0,0]=3 4355 B15R2.7203 Nc1ccc2oc(C(=O)O)c(N)c2c1 Amb32672876 [0,2,0,0,0,0|1,0,0]=3 4356 B15R2.7203 Nc1ccc2oc(C(=O)O)c(O)c2c1 Amb32672808 [0,2,0,0,0,0|1,0,0]=3 4357 B15R2.7203 Nc1ccc2sc(C(=O)O)c(F)c2c1 Amb27459997 [0,2,0,0,0,0|1,0,0]=3 4358 B15R2.7203 Nc1ccc2sc(C(=O)O)c(N)c2c1 Amb28135104 [0,2,0,0,0,0|1,0,0]=3 4359 B15R2.7203 Nc1ccc2sc(C(=O)O)c(O)c2c1 Amb27268433 [0,2,0,0,0,0|1,0,0]=3 4360 B15R2.7203 O=C(Cl)c1sc2ccc(Cl)cc2c1Cl Amb17442442 [0,2,0,0,0,0|2,0,0]=4 4361 B15R2.7203 O=C(Cl)c1sc2ccc(F)cc2c1Cl Amb28118642 [0,2,0,0,0,0|2,0,0]=4 4362 B15R2.7203 O=C(O)C1=C(I)C2C=C(I)C=CC2=N1 Amb2441843 [0,2,0,0,0,0|0,0,2]=4 4363 B15R2.7203 O=C(O)c1nc2ccc(Br)cn2c1Br Amb32424011 [0,2,0,0,0,0|1,0,1]=4 4364 B15R2.7203 O=C(O)c1nc2ccc(Br)cn2c1Cl Amb27242368 [0,2,0,0,0,0|1,0,1]=4 4365 B15R2.7203 O=C(O)c1nc2ccc(Br)cn2c1F Amb19134579 [0,2,0,0,0,0|1,0,1]=4 4366 B15R2.7203 O=C(O)c1nc2ccc(Br)cn2c1F Amb32684582 [0,2,0,0,0,0|1,0,1]=4 4367 B15R2.7203 O=C(O)c1nc2ccc(Cl)cc2n1O Amb29845198 [0,2,0,0,0,0|1,0,0]=3 4368 B15R2.7203 O=C(O)c1nc2ccc(Cl)cn2c1Br Amb2417151 [0,2,0,0,0,0|1,0,1]=4 4369 B15R2.7203 O=C(O)c1nc2ccc(Cl)cn2c1Cl Amb2417148 [0,2,0,0,0,0|1,0,1]=4 4370 B15R2.7203 O=C(O)c1nc2ccc(Cl)cn2c1F Amb22587426 [0,2,0,0,0,0|1,0,1]=4 4371 B15R2.7203 O=C(O)c1nc2ccc(Cl)cn2c1F Amb9780822 [0,2,0,0,0,0|1,0,1]=4 4372 B15R2.7203 O=C(O)c1nc2ccc(F)cc2n1O Amb29845202 [0,2,0,0,0,0|1,0,0]=3 4373 B15R2.7203 O=C(O)c1nc2ccc(I)cn2c1Br Amb32424257 [0,2,0,0,0,0|1,0,1]=4 4374 B15R2.7203 O=C(O)c1nc2ccc(I)cn2c1Cl Amb2411558 [0,2,0,0,0,0|1,0,1]=4 4375 B15R2.7203 O=C(O)c1nn2ccc(Cl)cc2c1Br Amb33329936 [0,2,0,0,0,0|1,0,1]=4 4376 B15R2.7203 O=C(O)c1oc2ccc(Br)cc2c1Cl Amb18153128 [0,2,0,0,0,0|1,0,0]=3 4377 B15R2.7203 O=C(O)c1oc2ccc(Br)cc2c1O Amb27773083 [0,2,0,0,0,0|1,0,0]=3 4378 B15R2.7203 O=C(O)c1oc2ccc(Cl)cc2c1Cl Amb18160584 [0,2,0,0,0,0|1,0,0]=3 4379 B15R2.7203 O=C(O)c1oc2ccc(Cl)cc2c1O Amb26630893 [0,2,0,0,0,0|1,0,0]=3 4380 B15R2.7203 O=C(O)c1sc2ccc(Br)cc2c1Cl Amb24057375 [0,2,0,0,0,0|1,0,0]=3 4381 B15R2.7203 O=C(O)c1sc2ccc(Br)cc2c1F Amb27846125 [0,2,0,0,0,0|1,0,0]=3 4382 B15R2.7203 O=C(O)c1sc2ccc(Br)cc2c1O Amb26568044 [0,2,0,0,0,0|1,0,0]=3 4383 B15R2.7203 O=C(O)c1sc2ccc(Cl)cc2c1Cl Amb17496767 [0,2,0,0,0,0|1,0,0]=3 4384 B15R2.7203 O=C(O)c1sc2ccc(F)cc2c1F Amb27192925 [0,2,0,0,0,0|1,0,0]=3 4385 B15R2.7203 O=C(O)c1sc2ccc(F)cc2c1O Amb26442333 [0,2,0,0,0,0|1,0,0]=3 4386 B15R2.7203 O=C(O)c1sc2ccc(F)cc2c1S Amb28422853 [0,2,0,0,0,0|1,0,0]=3 4387 B15R2.7203 O=C(O)c1sc2ccc(I)cc2c1Cl Amb27237470 [0,2,0,0,0,0|1,0,0]=3 4388 B15R2.7203 O=C(O)c1sc2ccc(I)cc2c1F Amb27463729 [0,2,0,0,0,0|1,0,0]=3 4389 B15R2.7203 O=C(O)c1sc2ccc(O)cc2c1Br Amb27846147 [0,2,0,0,0,0|1,0,0]=3 4390 B15R2.7203 O=C(O)c1sc2ccc(O)cc2c1Cl Amb27399664 [0,2,0,0,0,0|1,0,0]=3 4391 B15R2.7203 O=C(O)c1sc2ccc(S)cc2c1Cl Amb28131690 [0,2,0,0,0,0|1,0,0]=3 4392 B15R2.7203 O=C(O)c1sc2ccc(S)cc2c1I Amb27467992 [0,2,0,0,0,0|1,0,0]=3 4393 B15R2.9914 C=C1c2ccccc2OC1(C)C(=O)O Amb22755273 [0,2,0,0,0,0|1,0,1]=4 4394 B15R2.9921 CC(=O)C1=C(N)c2ccccc2C1=O Amb27590270 [0,2,0,0,0,0|2,0,0]=4 4395 B15R2.9921 CC(=O)c1c(Br)c2ccccc2n1C Amb33435545 [0,2,0,0,0,0|1,0,0]=3 4396 B15R2.9921 CC(=O)c1c(C)c2ccccc2n1C Amb6344798 [0,2,0,0,0,0|1,0,0]=3 4397 B15R2.9921 CC(=O)c1c(C)c2ccccc2n1N Amb18821096 [0,2,0,0,0,0|1,0,0]=3 4398 B15R2.9921 CC(=O)c1c(Cl)c2ccccc2n1C Amb26537464 [0,2,0,0,0,0|1,0,0]=3 4399 B15R2.9921 CC(=O)c1c(O)c2ccccc2n1C Amb2510597 [0,2,0,0,0,0|1,0,0]=3 4400 B15R2.9921 C[C@@H](O)c1c(Br)c2ccccc2n1C Amb33435561 [0,2,0,0,0,0|1,0,1]=4 4401 B15R2.9921 C[C@H](O)c1c(Br)c2ccccc2n1C Amb33435564 [0,2,0,0,0,0|1,0,1]=4 4402 B15R2.9921 Cc1c(C(=O)O)n(C)c2ccccc12 Amb9173609 [0,2,0,0,0,0|0,0,0]=2 4403 B15R2.9921 Cc1c(C(=O)O)n(O)c2ccccc12 Amb28399603 [0,2,0,0,0,0|0,0,0]=2 4404 B15R2.9921 Cn1c(C(=N)N)c(Br)c2ccccc21 Amb33430531 [0,2,0,0,0,0|2,0,0]=4 4405 B15R2.9921 Cn1c(C(=O)O)[n+]([O-])c2ccccc21 Amb25765167 [0,2,0,0,0,0|1,0,0]=3 4406 B15R2.9921 Cn1c(C(=O)O)c(Br)c2ccccc21 Amb7969720 [0,2,0,0,0,0|0,0,0]=2 4407 B15R2.9921 Cn1c(C(=O)O)c(Cl)c2ccccc21 Amb7969692 [0,2,0,0,0,0|0,0,0]=2 4408 B15R2.9921 Cn1c(C(=O)O)c(F)c2ccccc21 Amb27808624 [0,2,0,0,0,0|0,0,0]=2 4409 B15R2.9921 Cn1c(C(=O)O)c(I)c2ccccc21 Amb23441638 [0,2,0,0,0,0|0,0,0]=2 4410 B15R2.9921 Cn1c(C(=O)O)c(N)c2ccccc21 Amb26054712 [0,2,0,0,0,0|0,0,0]=2 4411 B15R2.9921 Cn1c(C(=O)O)c(N)c2cccnc21 Amb13885293 [0,2,0,0,0,0|1,0,0]=3 4412 B15R2.9921 Cn1c(C(=O)O)c(N)c2cnccc21 Amb27251771 [0,2,0,0,0,0|1,0,0]=3 4413 B15R2.9921 Cn1c(C(=O)O)c(N)c2nccnc21 Amb25790151 [0,2,0,0,0,0|2,0,0]=4 4414 B15R2.9921 Cn1c(C(=O)[O-])c(N)c2ccccc21 Amb33309467 [0,2,0,0,0,0|0,0,1]=3 4415 B15R2.9921 Cn1c(C(N)=O)c(O)c2ccccc21 Amb27250726 [0,2,0,0,0,0|1,0,0]=3 4416 B15R2.9921 Cn1c(C(N)=S)c(Br)c2ccccc21 Amb33430528 [0,2,0,0,0,0|1,1,0]=4 4417 B15R2.9921 NC(=O)c1n(O)c2ccccc2[n+]1[O-] Amb8393417 [0,2,0,0,0,0|2,0,0]=4 4418 B15R2.13463 CC(=O)c1nc2c(F)cccc2n1C Amb19041547 [0,2,0,0,0,0|2,0,0]=4 4419 B15R2.13463 CC(=O)c1nc2c(O)cccc2n1C Amb28409162 [0,2,0,0,0,0|2,0,0]=4 4420 B15R2.13463 CC(=O)c1sc2c(Br)cccc2c1C Amb8996656 [0,2,0,0,0,0|2,0,0]=4 4421 B15R2.13463 CC(=O)c1sc2c(C)cccc2c1C Amb25254864 [0,2,0,0,0,0|2,0,0]=4 4422 B15R2.13463 CC(=O)c1sc2c(C)cccc2c1N Amb25219875 [0,2,0,0,0,0|2,0,0]=4 4423 B15R2.13463 CC(=O)c1sc2c(Cl)cccc2c1C Amb8845514 [0,2,0,0,0,0|2,0,0]=4 4424 B15R2.13463 CC(=O)c1sc2c(O)cccc2c1C Amb27612771 [0,2,0,0,0,0|2,0,0]=4 4425 B15R2.13463 Cc1c(C(=O)O)cc2c(Br)cccn12 Amb28066163 [0,2,0,0,0,0|2,0,0]=4 4426 B15R2.13463 Cc1c(C(=O)O)nc2c(Br)cccn12 Amb27181803 [0,2,0,0,0,0|1,0,1]=4 4427 B15R2.13463 Cc1c(C(=O)O)oc2c(Br)cccc12 Amb7173406 [0,2,0,0,0,0|1,0,0]=3 4428 B15R2.13463 Cc1c(C(=O)O)oc2c(C)cccc12 Amb5380695 [0,2,0,0,0,0|1,0,0]=3 4429 B15R2.13463 Cc1c(C(=O)O)oc2c(Cl)cccc12 Amb1104781 [0,2,0,0,0,0|1,0,0]=3 4430 B15R2.13463 Cc1c(C(=O)O)oc2c(F)cccc12 Amb427453 [0,2,0,0,0,0|1,0,0]=3 4431 B15R2.13463 Cc1c(C(=O)O)oc2c(I)cccc12 Amb9339553 [0,2,0,0,0,0|1,0,0]=3 4432 B15R2.13463 Cc1c(C(=O)O)sc2c(Br)cccc12 Amb8996649 [0,2,0,0,0,0|1,0,0]=3 4433 B15R2.13463 Cc1c(C(=O)O)sc2c(C)cccc12 Amb25841920 [0,2,0,0,0,0|1,0,0]=3 4434 B15R2.13463 Cc1c(C(=O)O)sc2c(Cl)cccc12 Amb9213511 [0,2,0,0,0,0|1,0,0]=3 4435 B15R2.13463 Cc1c(C(=O)O)sc2c(F)cccc12 Amb8845451 [0,2,0,0,0,0|1,0,0]=3 4436 B15R2.13463 Cc1c(C(=O)O)sc2c(I)cccc12 Amb26506489 [0,2,0,0,0,0|1,0,0]=3 4437 B15R2.13463 Cc1c(C(=O)O)sc2c(N)cccc12 Amb25748020 [0,2,0,0,0,0|1,0,0]=3 4438 B15R2.13463 Cc1c(C(=O)O)sc2c(S)cccc12 Amb27620542 [0,2,0,0,0,0|1,0,0]=3 4439 B15R2.13463 Cc1c(C(N)=O)oc2c(Cl)cccc12 Amb11234721 [0,2,0,0,0,0|2,0,0]=4 4440 B15R2.13463 Cc1cccc2c(Cl)c(C(=O)O)oc12 Amb18773325 [0,2,0,0,0,0|1,0,0]=3 4441 B15R2.13463 Cc1cccc2c(Cl)c(C(=O)O)sc12 Amb27846435 [0,2,0,0,0,0|1,0,0]=3 4442 B15R2.13463 Cc1cccc2c(F)c(C(=O)O)sc12 Amb28198200 [0,2,0,0,0,0|1,0,0]=3 4443 B15R2.13463 Cc1cccc2c(N)c(C(=O)O)oc12 Amb32672877 [0,2,0,0,0,0|1,0,0]=3 4444 B15R2.13463 Cc1cccc2c(O)c(C(=O)O)oc12 Amb32672801 [0,2,0,0,0,0|1,0,0]=3 4445 B15R2.13463 Cc1cccc2c1C=C(C(=O)O)C2C Amb27407122 [0,2,0,0,0,0|1,0,0]=3 4446 B15R2.13463 Cc1cccc2c1cc(C(=O)O)n2C Amb9173610 [0,2,0,0,0,0|0,0,0]=2 4447 B15R2.13463 Cc1cccc2c1cc(C(N)=O)n2C Amb9768411 [0,2,0,0,0,0|1,0,0]=3 4448 B15R2.13463 Cc1cccn2c(C)c(C(=O)O)nc12 Amb27417348 [0,2,0,0,0,0|1,0,1]=4 4449 B15R2.13463 Cc1cccn2c(F)c(C(=O)O)nc12 Amb22587098 [0,2,0,0,0,0|1,0,1]=4 4450 B15R2.13463 Cc1cccn2c(N)c(C(=O)O)nc12 Amb18112955 [0,2,0,0,0,0|1,0,1]=4 4451 B15R2.13463 Cc1nccc2c(Br)c(C(=O)O)oc12 Amb27796666 [0,2,0,0,0,0|2,0,0]=4 4452 B15R2.13463 Cn1c(B(O)O)cc2c(F)cccc21 Amb28195850 [0,2,0,0,0,0|1,0,1]=4 4453 B15R2.13463 Cn1c(C(=O)O)cc2c(Br)cccc21 Amb18695175 [0,2,0,0,0,0|0,0,0]=2 4454 B15R2.13463 Cn1c(C(=O)O)cc2c(Cl)cccc21 Amb9173614 [0,2,0,0,0,0|0,0,0]=2 4455 B15R2.13463 Cn1c(C(=O)O)cc2c(Cl)cncc21 Amb28323045 [0,2,0,0,0,0|1,0,0]=3 4456 B15R2.13463 Cn1c(C(=O)O)cc2c(Cl)ncnc21 Amb22405936 [0,2,0,0,0,0|2,0,0]=4 4457 B15R2.13463 Cn1c(C(=O)O)cc2c(F)cccc21 Amb20673855 [0,2,0,0,0,0|0,0,0]=2 4458 B15R2.13463 Cn1c(C(=O)O)cc2c(I)ncnc21 Amb33483324 [0,2,0,0,0,0|2,0,0]=4 4459 B15R2.13463 Cn1c(C(=O)O)cc2c(O)cccc21 Amb18818923 [0,2,0,0,0,0|0,0,0]=2 4460 B15R2.13463 Cn1c(C(=O)O)cc2c1C=CNC2=O Amb19651820 [0,2,0,0,0,0|1,0,0]=3 4461 B15R2.13463 Cn1c(C(=O)O)nc2c(Br)cccc21 Amb27418191 [0,2,0,0,0,0|1,0,0]=3 4462 B15R2.13463 NC(=O)c1oc2c(Br)cccc2c1N Amb22498418 [0,2,0,0,0,0|2,0,0]=4 4463 B15R2.13463 NC(=O)c1sc2c(N)cccc2c1Cl Amb8427926 [0,2,0,0,0,0|2,0,0]=4 4464 B15R2.13463 Nc1c(C(=O)O)nc2c(Br)cccn12 Amb18926395 [0,2,0,0,0,0|1,0,1]=4 4465 B15R2.13463 Nc1c(C(=O)O)oc2c(Br)cccc12 Amb22498415 [0,2,0,0,0,0|1,0,0]=3 4466 B15R2.13463 Nc1c(C(=O)O)sc2c(Br)cccc12 Amb25218489 [0,2,0,0,0,0|1,0,0]=3 4467 B15R2.13463 Nc1c(C(=O)O)sc2c(I)cccc12 Amb27668082 [0,2,0,0,0,0|1,0,0]=3 4468 B15R2.13463 Nc1c(C(=O)O)sc2c(O)cccc12 Amb27216123 [0,2,0,0,0,0|1,0,0]=3 4469 B15R2.13463 Nc1c(C(=O)O)sc2c(S)cccc12 Amb28130621 [0,2,0,0,0,0|1,0,0]=3 4470 B15R2.13463 Nc1cccc2c(Cl)c(C(=O)O)sc12 Amb27225326 [0,2,0,0,0,0|1,0,0]=3 4471 B15R2.13463 O=C(O)c1cc2c(Br)cccc2n1O Amb27213723 [0,2,0,0,0,0|0,0,0]=2 4472 B15R2.13463 O=C(O)c1cc2c(F)cccc2n1O Amb27233017 [0,2,0,0,0,0|0,0,0]=2 4473 B15R2.13463 O=C(O)c1nc2c(Br)cccn2c1Cl Amb28280487 [0,2,0,0,0,0|1,0,1]=4 4474 B15R2.13463 O=C(O)c1nc2c(Cl)cccc2n1O Amb29845194 [0,2,0,0,0,0|1,0,0]=3 4475 B15R2.13463 O=C(O)c1nn2c(Br)cccc2c1Br Amb33330088 [0,2,0,0,0,0|1,0,1]=4 4476 B15R2.13463 O=C(O)c1nn2c(F)cccc2c1Br Amb33330084 [0,2,0,0,0,0|1,0,1]=4 4477 B15R2.13463 O=C(O)c1sc2c(Br)cccc2c1F Amb27846317 [0,2,0,0,0,0|1,0,0]=3 4478 B15R2.13463 O=C(O)c1sc2c(Cl)cccc2c1F Amb28059768 [0,2,0,0,0,0|1,0,0]=3 4479 B15R2.13463 O=C(O)c1sc2c(Cl)cccc2c1O Amb18660179 [0,2,0,0,0,0|1,0,0]=3 4480 B15R2.13463 O=C(O)c1sc2c(F)cccc2c1Br Amb27846122 [0,2,0,0,0,0|1,0,0]=3 4481 B15R2.13463 O=C(O)c1sc2c(F)cccc2c1Cl Amb27782900 [0,2,0,0,0,0|1,0,0]=3 4482 B15R2.13463 O=C(O)c1sc2c(F)cccc2c1F Amb28287964 [0,2,0,0,0,0|1,0,0]=3 4483 B15R2.13463 O=C(O)c1sc2c(F)cccc2c1I Amb27961773 [0,2,0,0,0,0|1,0,0]=3 4484 B15R2.13463 O=C(O)c1sc2c(F)cccc2c1O Amb28436372 [0,2,0,0,0,0|1,0,0]=3 4485 B15R2.13463 O=C(O)c1sc2c(I)cccc2c1O Amb25203657 [0,2,0,0,0,0|1,0,0]=3 4486 B15R2.13463 O=C(O)c1sc2c(O)cccc2c1O Amb27963442 [0,2,0,0,0,0|1,0,0]=3 4487 B15R2.13463 O=C(O)c1sc2c(S)cccc2c1Br Amb28247358 [0,2,0,0,0,0|1,0,0]=3 4488 B15R2.13629 CC(=O)c1nc2cccc(Cl)c2n1C Amb22231812 [0,2,0,0,0,0|2,0,0]=4 4489 B15R2.13629 CC(=O)c1sc2cccc(Cl)c2c1N Amb18659300 [0,2,0,0,0,0|2,0,0]=4 4490 B15R2.13629 Cc1c(C(=O)O)nc2cccc(Br)n12 Amb24328842 [0,2,0,0,0,0|1,0,1]=4 4491 B15R2.13629 Cc1c(C(=O)O)nc2cccc(Cl)n12 Amb24328840 [0,2,0,0,0,0|1,0,1]=4 4492 B15R2.13629 Cc1c(C(=O)O)oc2cccc(N)c12 Amb18818975 [0,2,0,0,0,0|1,0,0]=3 4493 B15R2.13629 Cc1c(C(=O)O)oc2cccc(O)c12 Amb2612526 [0,2,0,0,0,0|1,0,0]=3 4494 B15R2.13629 Cc1c(C(=O)O)sc2cccc(Cl)c12 Amb22751336 [0,2,0,0,0,0|1,0,0]=3 4495 B15R2.13629 Cc1c(C(=O)O)sc2cccc(F)c12 Amb41205 [0,2,0,0,0,0|1,0,0]=3 4496 B15R2.13629 Cc1c(C(=O)O)sc2cccc(I)c12 Amb26318870 [0,2,0,0,0,0|1,0,0]=3 4497 B15R2.13629 Cc1c(C(=O)O)sc2cccc(N)c12 Amb18779188 [0,2,0,0,0,0|1,0,0]=3 4498 B15R2.13629 Cc1c(C(=O)O)sc2cccc(O)c12 Amb27653549 [0,2,0,0,0,0|1,0,0]=3 4499 B15R2.13629 Cc1c(C(=O)O)sc2ccnc(Cl)c12 Amb27879686 [0,2,0,0,0,0|2,0,0]=4 4500 B15R2.13629 Cc1cccc2cc(C(=O)O)n(C)c12 Amb9173611 [0,2,0,0,0,0|0,0,0]=2 4501 B15R2.13629 Cc1cccc2nc(C(=O)O)c(Br)n12 Amb27639697 [0,2,0,0,0,0|1,0,1]=4 4502 B15R2.13629 Cc1cccc2nc(C(=O)O)c(F)n12 Amb22587103 [0,2,0,0,0,0|1,0,1]=4 4503 B15R2.13629 Cc1cccc2sc(C(=O)Cl)c(Cl)c12 Amb16230150 [0,2,0,0,0,0|2,0,0]=4 4504 B15R2.13629 Cc1cccc2sc(C(=O)O)c(Br)c12 Amb22751340 [0,2,0,0,0,0|1,0,0]=3 4505 B15R2.13629 Cc1cccc2sc(C(=O)O)c(C)c12 Amb24402328 [0,2,0,0,0,0|1,0,0]=3 4506 B15R2.13629 Cc1cccc2sc(C(=O)O)c(Cl)c12 Amb278813 [0,2,0,0,0,0|1,0,0]=3 4507 B15R2.13629 Cc1cccc2sc(C(=O)O)c(F)c12 Amb27220709 [0,2,0,0,0,0|1,0,0]=3 4508 B15R2.13629 Cc1cccc2sc(C(=O)O)c(N)c12 Amb27200830 [0,2,0,0,0,0|1,0,0]=3 4509 B15R2.13629 Cc1cccn2nc(C(=O)O)c(Br)c12 Amb24668893 [0,2,0,0,0,0|1,0,1]=4 4510 B15R2.13629 Cc1ccnc2oc(C(=O)O)c(N)c12 Amb18683849 [0,2,0,0,0,0|2,0,0]=4 4511 B15R2.13629 Cc1ccnc2sc(C(=O)O)c(C)c12 Amb6892773 [0,2,0,0,0,0|2,0,0]=4 4512 B15R2.13629 Cc1ccnc2sc(C(=O)O)c(N)c12 Amb18147971 [0,2,0,0,0,0|2,0,0]=4 4513 B15R2.13629 Cn1c(C(=O)O)cc2cccc(Br)c21 Amb18695174 [0,2,0,0,0,0|0,0,0]=2 4514 B15R2.13629 Cn1c(C(=O)O)cc2cccc(Cl)c21 Amb9173615 [0,2,0,0,0,0|0,0,0]=2 4515 B15R2.13629 Cn1c(C(=O)O)cc2cccc(F)c21 Amb21988026 [0,2,0,0,0,0|0,0,0]=2 4516 B15R2.13629 Cn1c(C(=O)O)cc2cccc(O)c21 Amb18818926 [0,2,0,0,0,0|0,0,0]=2 4517 B15R2.13629 Cn1c(C(=O)O)nc2cccc(F)c21 Amb27168132 [0,2,0,0,0,0|1,0,0]=3 4518 B15R2.13629 NC(=O)c1oc2cccc(Br)c2c1N Amb22498411 [0,2,0,0,0,0|2,0,0]=4 4519 B15R2.13629 NC(=O)c1sc2cccc(Br)c2c1N Amb27461898 [0,2,0,0,0,0|2,0,0]=4 4520 B15R2.13629 NC(=O)c1sc2cccc(F)c2c1Cl Amb6807623 [0,2,0,0,0,0|2,0,0]=4 4521 B15R2.13629 Nc1c(C(=O)O)oc2cccc(Br)c12 Amb22498396 [0,2,0,0,0,0|1,0,0]=3 4522 B15R2.13629 Nc1c(C(=O)O)oc2cccc(F)c12 Amb27186398 [0,2,0,0,0,0|1,0,0]=3 4523 B15R2.13629 Nc1c(C(=O)O)sc2cccc(Br)c12 Amb27463764 [0,2,0,0,0,0|1,0,0]=3 4524 B15R2.13629 Nc1c(C(=O)O)sc2cccc(Cl)c12 Amb24418163 [0,2,0,0,0,0|1,0,0]=3 4525 B15R2.13629 Nc1c(C(=O)O)sc2cccc(F)c12 Amb26858415 [0,2,0,0,0,0|1,0,0]=3 4526 B15R2.13629 Nc1c(C(=O)O)sc2cccc(S)c12 Amb27253195 [0,2,0,0,0,0|1,0,0]=3 4527 B15R2.13629 Nc1cccc2sc(C(=O)O)c(Cl)c12 Amb28290600 [0,2,0,0,0,0|1,0,0]=3 4528 B15R2.13629 Nc1cccc2sc(C(=O)O)c(N)c12 Amb27625419 [0,2,0,0,0,0|1,0,0]=3 4529 B15R2.13629 O=C(Cl)c1sc2cccc(Br)c2c1Cl Amb16186424 [0,2,0,0,0,0|2,0,0]=4 4530 B15R2.13629 O=C(Cl)c1sc2cccc(Cl)c2c1Cl Amb3360020 [0,2,0,0,0,0|2,0,0]=4 4531 B15R2.13629 O=C(Cl)c1sc2cccc(F)c2c1Cl Amb9834179 [0,2,0,0,0,0|2,0,0]=4 4532 B15R2.13629 O=C(O)c1nc2cccc(Cl)n2c1Br Amb22736387 [0,2,0,0,0,0|1,0,1]=4 4533 B15R2.13629 O=C(O)c1nn2cccc(Cl)c2c1Br Amb33330063 [0,2,0,0,0,0|1,0,1]=4 4534 B15R2.13629 O=C(O)c1nn2cccc(F)c2c1Br Amb33330085 [0,2,0,0,0,0|1,0,1]=4 4535 B15R2.13629 O=C(O)c1oc2cccc(F)c2c1Cl Amb18173963 [0,2,0,0,0,0|1,0,0]=3 4536 B15R2.13629 O=C(O)c1oc2cccc(F)c2c1O Amb32672812 [0,2,0,0,0,0|1,0,0]=3 4537 B15R2.13629 O=C(O)c1sc2cccc(Br)c2c1Br Amb28345939 [0,2,0,0,0,0|1,0,0]=3 4538 B15R2.13629 O=C(O)c1sc2cccc(Br)c2c1Cl Amb1110219 [0,2,0,0,0,0|1,0,0]=3 4539 B15R2.13629 O=C(O)c1sc2cccc(Br)c2c1I Amb27263178 [0,2,0,0,0,0|1,0,0]=3 4540 B15R2.13629 O=C(O)c1sc2cccc(Cl)c2c1Br Amb28429269 [0,2,0,0,0,0|1,0,0]=3 4541 B15R2.13629 O=C(O)c1sc2cccc(Cl)c2c1Cl Amb2226206 [0,2,0,0,0,0|1,0,0]=3 4542 B15R2.13629 O=C(O)c1sc2cccc(Cl)c2c1O Amb24579815 [0,2,0,0,0,0|1,0,0]=3 4543 B15R2.13629 O=C(O)c1sc2cccc(Cl)c2c1S Amb27195164 [0,2,0,0,0,0|1,0,0]=3 4544 B15R2.13629 O=C(O)c1sc2cccc(F)c2c1Cl Amb6548387 [0,2,0,0,0,0|1,0,0]=3 4545 B15R2.13629 O=C(O)c1sc2cccc(F)c2c1F Amb27192923 [0,2,0,0,0,0|1,0,0]=3 4546 B15R2.13629 O=C(O)c1sc2cccc(F)c2c1O Amb27202887 [0,2,0,0,0,0|1,0,0]=3 4547 B15R2.13629 O=C(O)c1sc2cccc(I)c2c1Br Amb28134701 [0,2,0,0,0,0|1,0,0]=3 4548 B15R2.13629 O=C(O)c1sc2cccc(I)c2c1O Amb25948943 [0,2,0,0,0,0|1,0,0]=3 4549 B15R2.13629 O=C(O)c1sc2cccc(O)c2c1Br Amb28130823 [0,2,0,0,0,0|1,0,0]=3 4550 B15R2.13629 O=C(O)c1sc2cccc(O)c2c1Cl Amb28046753 [0,2,0,0,0,0|1,0,0]=3 4551 B15R2.13629 O=C(O)c1sc2cccc(S)c2c1O Amb28057820 [0,2,0,0,0,0|1,0,0]=3 4552 B15R2.14758 CC(=O)c1cc2cc(F)ccc2n1C Amb27478728 [0,2,0,0,0,0|1,0,0]=3 4553 B15R2.14758 CC(=O)c1cc2cc(F)cnc2n1C Amb27967502 [0,2,0,0,0,0|2,0,0]=4 4554 B15R2.14758 CC(=O)c1cc2cc(N)ccc2n1C Amb18820967 [0,2,0,0,0,0|1,0,0]=3 4555 B15R2.14758 CC(=O)c1cc2cc(O)ccc2n1C Amb27974079 [0,2,0,0,0,0|1,0,0]=3 4556 B15R2.14758 CC(=O)c1nc2cc(Br)ccc2n1C Amb18696935 [0,2,0,0,0,0|2,0,0]=4 4557 B15R2.14758 CC(=O)c1nc2cc(C)ccc2n1C Amb19046995 [0,2,0,0,0,0|2,0,0]=4 4558 B15R2.14758 CC(=O)c1nc2cc(Cl)ccc2n1C Amb20622349 [0,2,0,0,0,0|2,0,0]=4 4559 B15R2.14758 CC(=O)c1nc2cc(N)ccc2n1C Amb18820454 [0,2,0,0,0,0|2,0,0]=4 4560 B15R2.14758 CC(=O)c1oc2cc(Br)ccc2c1N Amb22498421 [0,2,0,0,0,0|2,0,0]=4 4561 B15R2.14758 CC(=O)c1sc2cc(Br)ccc2c1C Amb27638736 [0,2,0,0,0,0|2,0,0]=4 4562 B15R2.14758 CC(=O)c1sc2cc(C)ccc2c1C Amb27866829 [0,2,0,0,0,0|2,0,0]=4 4563 B15R2.14758 CC(=O)c1sc2cc(C)ccc2c1Cl Amb24713730 [0,2,0,0,0,0|2,0,0]=4 4564 B15R2.14758 CC(=O)c1sc2cc(F)ccc2c1Cl Amb5720456 [0,2,0,0,0,0|2,0,0]=4 4565 B15R2.14758 Cc1c(C(=O)O)nc2cc(Br)ccn12 Amb24328823 [0,2,0,0,0,0|1,0,1]=4 4566 B15R2.14758 Cc1c(C(=O)O)nc2cc(Cl)ccn12 Amb24328824 [0,2,0,0,0,0|1,0,1]=4 4567 B15R2.14758 Cc1c(C(=O)O)oc2cc(Br)ccc12 Amb7173562 [0,2,0,0,0,0|1,0,0]=3 4568 B15R2.14758 Cc1c(C(=O)O)oc2cc(N)ccc12 Amb10789173 [0,2,0,0,0,0|1,0,0]=3 4569 B15R2.14758 Cc1c(C(=O)O)oc2cc(O)ccc12 Amb10809402 [0,2,0,0,0,0|1,0,0]=3 4570 B15R2.14758 Cc1c(C(=O)O)sc2cc(Br)ccc12 Amb28204148 [0,2,0,0,0,0|1,0,0]=3 4571 B15R2.14758 Cc1c(C(=O)O)sc2cc(Cl)ccc12 Amb25748174 [0,2,0,0,0,0|1,0,0]=3 4572 B15R2.14758 Cc1c(C(=O)O)sc2cc(F)ccc12 Amb10610661 [0,2,0,0,0,0|1,0,0]=3 4573 B15R2.14758 Cc1c(C(=O)O)sc2cc(I)ccc12 Amb25812797 [0,2,0,0,0,0|1,0,0]=3 4574 B15R2.14758 Cc1c(C(=O)O)sc2cc(N)ccc12 Amb27169255 [0,2,0,0,0,0|1,0,0]=3 4575 B15R2.14758 Cc1c(C(=O)O)sc2cc(O)ccc12 Amb24658551 [0,2,0,0,0,0|1,0,0]=3 4576 B15R2.14758 Cc1c(C(N)=O)oc2cc(Br)ccc12 Amb22749540 [0,2,0,0,0,0|2,0,0]=4 4577 B15R2.14758 Cc1ccc2c(Br)c(C(=O)O)nn2c1 Amb27796303 [0,2,0,0,0,0|1,0,1]=4 4578 B15R2.14758 Cc1ccc2c(Br)c(C(=O)O)sc2c1 Amb27193908 [0,2,0,0,0,0|1,0,0]=3 4579 B15R2.14758 Cc1ccc2c(Br)c(C(=O)O)sc2n1 Amb18152482 [0,2,0,0,0,0|2,0,0]=4 4580 B15R2.14758 Cc1ccc2c(C)c(C(=O)O)cn2c1 Amb18820531 [0,2,0,0,0,0|2,0,0]=4 4581 B15R2.14758 Cc1ccc2c(C)c(C(=O)O)oc2c1 Amb1923728 [0,2,0,0,0,0|1,0,0]=3 4582 B15R2.14758 Cc1ccc2c(C)c(C(=O)O)sc2c1 Amb25747899 [0,2,0,0,0,0|1,0,0]=3 4583 B15R2.14758 Cc1ccc2c(C)c(C(=O)O)sc2n1 Amb26454288 [0,2,0,0,0,0|2,0,0]=4 4584 B15R2.14758 Cc1ccc2c(Cl)c(C(=O)Cl)sc2c1 Amb6888402 [0,2,0,0,0,0|2,0,0]=4 4585 B15R2.14758 Cc1ccc2c(Cl)c(C(=O)O)sc2c1 Amb6335589 [0,2,0,0,0,0|1,0,0]=3 4586 B15R2.14758 Cc1ccc2c(Cl)c(C(N)=O)sc2c1 Amb6492868 [0,2,0,0,0,0|2,0,0]=4 4587 B15R2.14758 Cc1ccc2c(I)c(C(=O)O)sc2c1 Amb28347040 [0,2,0,0,0,0|1,0,0]=3 4588 B15R2.14758 Cc1ccc2c(N)c(C(=O)O)oc2n1 Amb27200783 [0,2,0,0,0,0|2,0,0]=4 4589 B15R2.14758 Cc1ccc2c(N)c(C(=O)O)sc2c1 Amb28131695 [0,2,0,0,0,0|1,0,0]=3 4590 B15R2.14758 Cc1ccc2c(N)c(C(=O)O)sc2n1 Amb2707253 [0,2,0,0,0,0|2,0,0]=4 4591 B15R2.14758 Cc1ccc2c(c1)cc(C(=O)O)n2C Amb1875793 [0,2,0,0,0,0|0,0,0]=2 4592 B15R2.14758 Cc1ccn2c(C)c(C(=O)O)cc2c1 Amb27818066 [0,2,0,0,0,0|2,0,0]=4 4593 B15R2.14758 Cc1ccn2c(F)c(C(=O)O)nc2c1 Amb1064955 [0,2,0,0,0,0|1,0,1]=4 4594 B15R2.14758 Cc1ccn2c(F)c(C(=O)O)nc2c1 Amb22587127 [0,2,0,0,0,0|1,0,1]=4 4595 B15R2.14758 Cn1c(B(O)O)cc2cc(F)ccc21 Amb27425362 [0,2,0,0,0,0|1,0,1]=4 4596 B15R2.14758 Cn1c(C(=O)Cl)cc2cc(Br)ccc21 Amb28409953 [0,2,0,0,0,0|1,0,0]=3 4597 B15R2.14758 Cn1c(C(=O)Cl)cc2cc(F)ccc21 Amb26568401 [0,2,0,0,0,0|1,0,0]=3 4598 B15R2.14758 Cn1c(C(=O)O)cc2cc(Br)ccc21 Amb1915298 [0,2,0,0,0,0|0,0,0]=2 4599 B15R2.14758 Cn1c(C(=O)O)cc2cc(Br)cnc21 Amb32676754 [0,2,0,0,0,0|1,0,0]=3 4600 B15R2.14758 Cn1c(C(=O)O)cc2cc(Cl)ccc21 Amb534392 [0,2,0,0,0,0|0,0,0]=2 4601 B15R2.14758 Cn1c(C(=O)O)cc2cc(F)ccc21 Amb534391 [0,2,0,0,0,0|0,0,0]=2 4602 B15R2.14758 Cn1c(C(=O)O)cc2cc(I)ccc21 Amb29844543 [0,2,0,0,0,0|0,0,0]=2 4603 B15R2.14758 Cn1c(C(=O)O)cc2cc(N)ccc21 Amb8472676 [0,2,0,0,0,0|0,0,0]=2 4604 B15R2.14758 Cn1c(C(=O)O)cc2cc(O)ccc21 Amb18818925 [0,2,0,0,0,0|0,0,0]=2 4605 B15R2.14758 Cn1c(C(=O)O)cc2nc(Cl)ccc21 Amb24465575 [0,2,0,0,0,0|1,0,0]=3 4606 B15R2.14758 Cn1c(C(=O)O)nc2cc(Br)ccc21 Amb18693201 [0,2,0,0,0,0|1,0,0]=3 4607 B15R2.14758 Cn1c(C(=O)O)nc2cc(Cl)ccc21 Amb7089091 [0,2,0,0,0,0|1,0,0]=3 4608 B15R2.14758 Cn1c(C(=O)O)nc2cc(N)ccc21 Amb18818743 [0,2,0,0,0,0|1,0,0]=3 4609 B15R2.14758 Cn1c(C(N)=O)cc2cc(Cl)ccc21 Amb9768417 [0,2,0,0,0,0|1,0,0]=3 4610 B15R2.14758 Cn1c(C(N)=O)cc2cc(F)ccc21 Amb9768388 [0,2,0,0,0,0|1,0,0]=3 4611 B15R2.14758 Cn1c(C(N)=O)nc2cc(Cl)ccc21 Amb28363883 [0,2,0,0,0,0|2,0,0]=4 4612 B15R2.14758 NC(=O)c1oc2cc(Br)ccc2c1N Amb22498409 [0,2,0,0,0,0|2,0,0]=4 4613 B15R2.14758 NC(=O)c1sc2cc(Cl)ccc2c1Cl Amb6754232 [0,2,0,0,0,0|2,0,0]=4 4614 B15R2.14758 NC(=O)c1sc2cc(Cl)ccc2c1N Amb28120410 [0,2,0,0,0,0|2,0,0]=4 4615 B15R2.14758 NC(=O)c1sc2cc(F)ccc2c1Cl Amb6493028 [0,2,0,0,0,0|2,0,0]=4 4616 B15R2.14758 Nc1c(C(=O)O)nc2cc(Br)ccn12 Amb18264702 [0,2,0,0,0,0|1,0,1]=4 4617 B15R2.14758 Nc1c(C(=O)O)nc2cc(Cl)ccn12 Amb18631758 [0,2,0,0,0,0|1,0,1]=4 4618 B15R2.14758 Nc1c(C(=O)O)oc2cc(Br)ccc12 Amb22498122 [0,2,0,0,0,0|1,0,0]=3 4619 B15R2.14758 Nc1c(C(=O)O)oc2cc(Cl)ccc12 Amb27478666 [0,2,0,0,0,0|1,0,0]=3 4620 B15R2.14758 Nc1c(C(=O)O)oc2cc(F)ccc12 Amb24593548 [0,2,0,0,0,0|1,0,0]=3 4621 B15R2.14758 Nc1c(C(=O)O)sc2cc(Br)ccc12 Amb25127810 [0,2,0,0,0,0|1,0,0]=3 4622 B15R2.14758 Nc1c(C(=O)O)sc2cc(F)ccc12 Amb24444843 [0,2,0,0,0,0|1,0,0]=3 4623 B15R2.14758 Nc1ccc2c(Cl)c(C(=O)O)oc2c1 Amb32672802 [0,2,0,0,0,0|1,0,0]=3 4624 B15R2.14758 Nc1ccc2c(N)c(C(=O)O)oc2c1 Amb32672883 [0,2,0,0,0,0|1,0,0]=3 4625 B15R2.14758 Nc1ccc2c(O)c(C(=O)O)oc2c1 Amb32672811 [0,2,0,0,0,0|1,0,0]=3 4626 B15R2.14758 Nc1ccc2c(S)c(C(=O)O)sc2c1 Amb27263960 [0,2,0,0,0,0|1,0,0]=3 4627 B15R2.14758 O=C(Cl)c1sc2cc(Br)ccc2c1Cl Amb6543533 [0,2,0,0,0,0|2,0,0]=4 4628 B15R2.14758 O=C(Cl)c1sc2cc(Cl)ccc2c1Cl Amb1934231 [0,2,0,0,0,0|2,0,0]=4 4629 B15R2.14758 O=C(Cl)c1sc2cc(F)ccc2c1Cl Amb2685959 [0,2,0,0,0,0|2,0,0]=4 4630 B15R2.14758 O=C(O)C1=C(Cl)c2ccc(Br)cc2C1 Amb28369104 [0,2,0,0,0,0|1,0,0]=3 4631 B15R2.14758 O=C(O)C1=C(Cl)c2ccc(F)cc2C1 Amb27950203 [0,2,0,0,0,0|1,0,0]=3 4632 B15R2.14758 O=C(O)c1cc2cc(Br)ccn2c1Cl Amb27183786 [0,2,0,0,0,0|2,0,0]=4 4633 B15R2.14758 O=C(O)c1nn2cc(Br)ccc2c1Br Amb33330086 [0,2,0,0,0,0|1,0,1]=4 4634 B15R2.14758 O=C(O)c1nn2cc(Br)ccc2c1Cl Amb27800005 [0,2,0,0,0,0|1,0,1]=4 4635 B15R2.14758 O=C(O)c1nn2cc(Cl)ccc2c1Br Amb33189130 [0,2,0,0,0,0|1,0,1]=4 4636 B15R2.14758 O=C(O)c1nn2cc(O)ccc2c1Br Amb33330083 [0,2,0,0,0,0|1,0,1]=4 4637 B15R2.14758 O=C(O)c1oc2cc(F)ccc2c1O Amb27445694 [0,2,0,0,0,0|1,0,0]=3 4638 B15R2.14758 O=C(O)c1sc2cc(Br)ccc2c1Br Amb28255927 [0,2,0,0,0,0|1,0,0]=3 4639 B15R2.14758 O=C(O)c1sc2cc(Br)ccc2c1Cl Amb6543546 [0,2,0,0,0,0|1,0,0]=3 4640 B15R2.14758 O=C(O)c1sc2cc(Br)ccc2c1F Amb27846131 [0,2,0,0,0,0|1,0,0]=3 4641 B15R2.14758 O=C(O)c1sc2cc(Br)ccc2c1I Amb28131093 [0,2,0,0,0,0|1,0,0]=3 4642 B15R2.14758 O=C(O)c1sc2cc(Br)ccc2c1O Amb22736526 [0,2,0,0,0,0|1,0,0]=3 4643 B15R2.14758 O=C(O)c1sc2cc(Br)ccc2c1S Amb27439452 [0,2,0,0,0,0|1,0,0]=3 4644 B15R2.14758 O=C(O)c1sc2cc(Cl)ccc2c1Cl Amb6567177 [0,2,0,0,0,0|1,0,0]=3 4645 B15R2.14758 O=C(O)c1sc2cc(Cl)ccc2c1I Amb27258395 [0,2,0,0,0,0|1,0,0]=3 4646 B15R2.14758 O=C(O)c1sc2cc(Cl)ccc2c1S Amb28057229 [0,2,0,0,0,0|1,0,0]=3 4647 B15R2.14758 O=C(O)c1sc2cc(F)ccc2c1Cl Amb6336471 [0,2,0,0,0,0|1,0,0]=3 4648 B15R2.14758 O=C(O)c1sc2cc(F)ccc2c1S Amb27629877 [0,2,0,0,0,0|1,0,0]=3 4649 B15R2.14758 O=C(O)c1sc2cc(I)ccc2c1Br Amb28136567 [0,2,0,0,0,0|1,0,0]=3 4650 B15R2.14758 O=C(O)c1sc2cc(I)ccc2c1F Amb27194569 [0,2,0,0,0,0|1,0,0]=3 4651 B15R2.14758 O=C(O)c1sc2cc(I)ccc2c1I Amb27621763 [0,2,0,0,0,0|1,0,0]=3 4652 B15R2.14758 O=C(O)c1sc2cc(I)ccc2c1O Amb25935827 [0,2,0,0,0,0|1,0,0]=3 4653 B15R2.14758 O=C(O)c1sc2cc(O)ccc2c1Br Amb27797724 [0,2,0,0,0,0|1,0,0]=3 4654 B15R2.14758 O=C(O)c1sc2cc(O)ccc2c1Cl Amb17442429 [0,2,0,0,0,0|1,0,0]=3 4655 B15R2.14758 O=C(O)c1sc2cc(O)ccc2c1S Amb28057822 [0,2,0,0,0,0|1,0,0]=3 4656 B15R2.14758 O=C(O)c1sc2cc(S)ccc2c1Br Amb27204320 [0,2,0,0,0,0|1,0,0]=3 4657 B15R2.14758 O=C(O)c1sc2cc(S)ccc2c1Cl Amb28429279 [0,2,0,0,0,0|1,0,0]=3 4658 B15R2.16281 CC1(C)C(C(=O)O)=Nc2ccccc21 Amb25193219 [0,2,0,0,0,0|0,0,2]=4 4659 B15R2.16281 CC1(C)c2ccccc2NC1C(=O)O Amb17778641 [0,2,0,0,0,0|0,0,2]=4 4660 B15R2.16281 CC1(C)c2ccccc2NC1C(=O)O Amb31156114 [0,2,0,0,0,0|0,0,2]=4 4661 B15R2.16281 NC(=O)C1=Cc2ccccc2S1(=O)=O Amb27975848 [0,2,0,0,0,0|2,0,0]=4 4662 B15R2.16281 O=C(O)C1=Cc2ccccc2S1(=O)=O Amb27635573 [0,2,0,0,0,0|1,0,0]=3 4663 B15R2.1616 COC(=O)C1(C)Cc2ccccc2N1 Amb33802502 [0,2,0,0,0,0|0,0,2]=4 4664 B15R2.1616 COC(=O)C1(C)Cc2ccccc2N1 Amb33804073 [0,2,0,0,0,0|0,0,2]=4 4665 B15R2.1204 N#CC(C=O)=C1Nc2ccccc2N1 Amb27607800 [0,2,0,0,0,0|2,0,0]=4 4666 B15R2.1204 N#C\C(=C\O)c1cc2ccccc2s1 Amb28051665 [0,2,0,0,0,0|2,0,0]=4 4667 B15R2.1204 O=CC(C=O)=C1Nc2ccccc2N1 Amb17855514 [0,2,0,0,0,0|1,0,1]=4 4668 B15R2.1204 O=CC(C=O)=C1Nc2ccccc2O1 Amb17779679 [0,2,0,0,0,0|1,0,1]=4 4669 B15R2.1204 O=C\C(=C\O)c1nc2ccccc2o1 Amb22437389 [0,2,0,0,0,0|1,0,1]=4 4670 B15R2.1356 C=CCC(=O)c1cc2ccccc2o1 Amb19045981 [0,2,0,0,0,0|2,0,0]=4 4671 B15R2.1356 CCCC(=O)c1cc2ccccc2o1 Amb19046924 [0,2,0,0,0,0|2,0,0]=4 4672 B15R2.1356 CCNC(=O)c1cc2ccccc2o1 Amb661322 [0,2,0,0,0,0|2,0,0]=4 4673 B15R2.1356 CCOC(=O)C1=CC2C=CC=CC2=C1 Amb9678006 [0,2,0,0,0,0|1,0,1]=4 4674 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2N1 Amb25726897 [0,2,0,0,0,0|1,0,1]=4 4675 B15R2.1356 CCOC(=O)C1=Cc2ccccc2C1 Amb28410066 [0,2,0,0,0,0|1,0,0]=3 4676 B15R2.1356 CCOC(=O)C1Cc2ccccc2N1 Amb8393476 [0,2,0,0,0,0|0,0,2]=4 4677 B15R2.1356 CCOC(=O)[C@@H]1Cc2ccccc2N1 Amb8393782 [0,2,0,0,0,0|0,0,2]=4 4678 B15R2.1356 CCOC(=O)[C@@H]1Cc2ccccc2N1 Amb8631215 [0,2,0,0,0,0|0,0,2]=4 4679 B15R2.1356 CCOC(=O)[C@H]1Cc2ccccc2N1 Amb27956885 [0,2,0,0,0,0|0,0,2]=4 4680 B15R2.1356 CCOC(=O)c1cc2ccccc2o1 Amb5492722 [0,2,0,0,0,0|1,0,0]=3 4681 B15R2.1356 CCOC(=O)c1cc2ccccc2s1 Amb9828278 [0,2,0,0,0,0|1,0,0]=3 4682 B15R2.1356 CCOC(=O)c1cc2ccccn2c1 Amb24646842 [0,2,0,0,0,0|2,0,0]=4 4683 B15R2.1356 CCOC(=O)c1cc2cccnc2s1 Amb2723083 [0,2,0,0,0,0|2,0,0]=4 4684 B15R2.1356 CCOC(=O)c1cc2ccncc2o1 Amb21961280 [0,2,0,0,0,0|2,0,0]=4 4685 B15R2.1356 CCOC(=O)c1cc2ccncc2s1 Amb24367158 [0,2,0,0,0,0|2,0,0]=4 4686 B15R2.1356 CCOC(=O)c1cc2ncccc2o1 Amb26361418 [0,2,0,0,0,0|2,0,0]=4 4687 B15R2.1356 CCOC(=O)c1cc2ncccc2s1 Amb26349280 [0,2,0,0,0,0|2,0,0]=4 4688 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 Amb1107147 [0,2,0,0,0,0|1,0,1]=4 4689 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 Amb17602733 [0,2,0,0,0,0|1,0,1]=4 4690 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 Amb33339186 [0,2,0,0,0,0|1,0,1]=4 4691 B15R2.1356 CCOC(=O)c1nc2ccccc2o1 Amb21858236 [0,2,0,0,0,0|1,0,1]=4 4692 B15R2.1356 CCOC(=O)c1nc2ccccc2s1 Amb6323614 [0,2,0,0,0,0|1,0,1]=4 4693 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 Amb33314053 [0,2,0,0,0,0|2,0,0]=4 4694 B15R2.1356 COCC(=O)C1Cc2ccccc2N1 Amb27217182 [0,2,0,0,0,0|0,0,2]=4 4695 B15R2.1356 COCC(=O)c1cc2ccccc2o1 Amb9665978 [0,2,0,0,0,0|1,0,0]=3 4696 B15R2.1356 COCC(=O)c1cc2ccccc2s1 Amb28136328 [0,2,0,0,0,0|1,0,0]=3 4697 B15R2.1356 CSCC(=O)c1cc2ccccc2o1 Amb26341693 [0,2,0,0,0,0|1,1,0]=4 4698 B15R2.1356 C\C=C\C(=O)c1cc2ccccc2o1 Amb27183552 [0,2,0,0,0,0|2,0,0]=4 4699 B15R2.1356 N#CCC(=O)c1cc2ccccc2o1 Amb1105284 [0,2,0,0,0,0|2,0,0]=4 4700 B15R2.1356 N#CCC(=O)c1cc2ccccc2s1 Amb18317203 [0,2,0,0,0,0|2,0,0]=4 4701 B15R2.1356 NCCC(=O)c1cc2ccccc2o1 Amb18559435 [0,2,0,0,0,0|2,0,0]=4 4702 B15R2.1356 NCCC(=O)c1cc2ccccc2s1 Amb18782491 [0,2,0,0,0,0|2,0,0]=4 4703 B15R2.1356 O=C(CCCl)c1cc2ccccc2o1 Amb28190929 [0,2,0,0,0,0|2,0,0]=4 4704 B15R2.1356 O=C(N=C=S)c1cc2ccccc2s1 Amb28197095 [0,2,0,0,0,0|1,1,0]=4 4705 B15R2.1356 O=C(NCCl)c1cc2ccccc2o1 Amb2867119 [0,2,0,0,0,0|2,0,0]=4 4706 B15R2.1356 O=C(\C=C\Cl)c1cc2ccccc2o1 Amb35609111 [0,2,0,0,0,0|2,0,0]=4 4707 B15R2.1356 O=C(\C=C\Cl)c1cc2ccccc2s1 Amb29880145 [0,2,0,0,0,0|2,0,0]=4 4708 B15R2.1356 O=CCC(=O)c1cc2ccccc2o1 Amb9204917 [0,2,0,0,0,0|1,0,1]=4 4709 B15R2.1356 O=CCC(=O)c1cc2ccccc2s1 Amb28138955 [0,2,0,0,0,0|1,0,1]=4 4710 B15R2.1356 O=C\C=C(\Cl)c1cc2ccccc2o1 Amb27437313 [0,2,0,0,0,0|2,0,0]=4 4711 B15R2.1356 O=C\C=C(\Cl)c1cc2ccccc2s1 Amb27978699 [0,2,0,0,0,0|2,0,0]=4 4712 B15R2.1356 [N-]=[N+]=NC(=O)c1cc2ccccc2o1 Amb17864894 [0,2,0,0,0,0|2,0,0]=4 4713 B15R2.1356 [N-]=[N+]=NC(=O)c1cc2ccccc2s1 Amb25111690 [0,2,0,0,0,0|2,0,0]=4 4714 B15R2.1590 C#CC(=O)c1cc2cc(C)ccc2o1 Amb28346611 [0,2,0,0,0,0|2,0,0]=4 4715 B15R2.1590 CCC(=O)c1cc2cc(C)ccc2o1 Amb28146075 [0,2,0,0,0,0|2,0,0]=4 4716 B15R2.1590 CCC(=O)c1cc2cc(C)ccc2s1 Amb27638753 [0,2,0,0,0,0|2,0,0]=4 4717 B15R2.1590 CNC(=O)c1cc2cc(Br)ccc2s1 Amb2423294 [0,2,0,0,0,0|2,0,0]=4 4718 B15R2.1590 CNC(=O)c1cc2cc(N)ccc2o1 Amb18278481 [0,2,0,0,0,0|2,0,0]=4 4719 B15R2.1590 CNC(=O)c1cc2cc(N)ccc2s1 Amb9870477 [0,2,0,0,0,0|2,0,0]=4 4720 B15R2.1590 COC(=O)C1=Cc2cc(Cl)ccc2C1 Amb27239681 [0,2,0,0,0,0|1,0,0]=3 4721 B15R2.1590 COC(=O)C1Cc2cc(Br)ccc2N1 Amb28128685 [0,2,0,0,0,0|0,0,2]=4 4722 B15R2.1590 COC(=O)C1Cc2cc(C)ccc2N1 Amb27386906 [0,2,0,0,0,0|0,0,2]=4 4723 B15R2.1590 COC(=O)C1Cc2cc(Cl)ccc2N1 Amb27758795 [0,2,0,0,0,0|0,0,2]=4 4724 B15R2.1590 COC(=O)C1Cc2cc(I)ccc2N1 Amb27597606 [0,2,0,0,0,0|0,0,2]=4 4725 B15R2.1590 COC(=O)C1Cc2ccc(C)cc2N1 Amb28397413 [0,2,0,0,0,0|0,0,2]=4 4726 B15R2.1590 COC(=O)C1Cc2ccc(N)cc2N1 Amb23401438 [0,2,0,0,0,0|0,0,2]=4 4727 B15R2.1590 COC(=O)C1Cc2ccc(O)cc2N1 Amb24411498 [0,2,0,0,0,0|0,0,2]=4 4728 B15R2.1590 COC(=O)C1Cc2ccc(O)cc2N1 Amb32668043 [0,2,0,0,0,0|0,0,2]=4 4729 B15R2.1590 COC(=O)[C@@H]1Cc2cc(F)ccc2N1 Amb27798509 [0,2,0,0,0,0|0,0,2]=4 4730 B15R2.1590 COC(=O)[C@H]1Cc2cc(Cl)ccc2N1 Amb28141007 [0,2,0,0,0,0|0,0,2]=4 4731 B15R2.1590 COC(=O)c1cc2cc(Br)ccc2o1 Amb6323094 [0,2,0,0,0,0|1,0,0]=3 4732 B15R2.1590 COC(=O)c1cc2cc(Br)ccc2s1 Amb2724857 [0,2,0,0,0,0|1,0,0]=3 4733 B15R2.1590 COC(=O)c1cc2cc(Br)cnc2s1 Amb20248650 [0,2,0,0,0,0|2,0,0]=4 4734 B15R2.1590 COC(=O)c1cc2cc(C)ccc2o1 Amb19040823 [0,2,0,0,0,0|1,0,0]=3 4735 B15R2.1590 COC(=O)c1cc2cc(Cl)ccc2o1 Amb22496850 [0,2,0,0,0,0|1,0,0]=3 4736 B15R2.1590 COC(=O)c1cc2cc(Cl)ccc2s1 Amb6384470 [0,2,0,0,0,0|1,0,0]=3 4737 B15R2.1590 COC(=O)c1cc2cc(Cl)ncc2o1 Amb28066178 [0,2,0,0,0,0|2,0,0]=4 4738 B15R2.1590 COC(=O)c1cc2cc(Cl)ncc2s1 Amb24342953 [0,2,0,0,0,0|2,0,0]=4 4739 B15R2.1590 COC(=O)c1cc2cc(F)ccc2o1 Amb2797841 [0,2,0,0,0,0|1,0,0]=3 4740 B15R2.1590 COC(=O)c1cc2cc(F)ccc2s1 Amb6384447 [0,2,0,0,0,0|1,0,0]=3 4741 B15R2.1590 COC(=O)c1cc2cc(N)ccc2o1 Amb18956970 [0,2,0,0,0,0|1,0,0]=3 4742 B15R2.1590 COC(=O)c1cc2cc(N)ccc2o1 Amb9677452 [0,2,0,0,0,0|1,0,0]=3 4743 B15R2.1590 COC(=O)c1cc2cc(N)ccc2s1 Amb2235929 [0,2,0,0,0,0|1,0,0]=3 4744 B15R2.1590 COC(=O)c1cc2cc(N)ccc2s1 Amb2237308 [0,2,0,0,0,0|1,0,0]=3 4745 B15R2.1590 COC(=O)c1cc2cc(N)cnc2s1 Amb27463395 [0,2,0,0,0,0|2,0,0]=4 4746 B15R2.1590 COC(=O)c1cc2cc(O)ccc2o1 Amb18650997 [0,2,0,0,0,0|1,0,0]=3 4747 B15R2.1590 COC(=O)c1cc2ccc(Br)cc2o1 Amb21926639 [0,2,0,0,0,0|1,0,0]=3 4748 B15R2.1590 COC(=O)c1cc2ccc(Br)cc2s1 Amb6384590 [0,2,0,0,0,0|1,0,0]=3 4749 B15R2.1590 COC(=O)c1cc2ccc(Br)cn2c1 Amb22896628 [0,2,0,0,0,0|2,0,0]=4 4750 B15R2.1590 COC(=O)c1cc2ccc(C)cc2o1 Amb22235497 [0,2,0,0,0,0|1,0,0]=3 4751 B15R2.1590 COC(=O)c1cc2ccc(C)cc2s1 Amb25181848 [0,2,0,0,0,0|1,0,0]=3 4752 B15R2.1590 COC(=O)c1cc2ccc(Cl)cc2o1 Amb21927576 [0,2,0,0,0,0|1,0,0]=3 4753 B15R2.1590 COC(=O)c1cc2ccc(Cl)cc2s1 Amb6384469 [0,2,0,0,0,0|1,0,0]=3 4754 B15R2.1590 COC(=O)c1cc2ccc(Cl)cn2n1 Amb21927833 [0,2,0,0,0,0|1,0,1]=4 4755 B15R2.1590 COC(=O)c1cc2ccc(F)cc2o1 Amb33166885 [0,2,0,0,0,0|1,0,0]=3 4756 B15R2.1590 COC(=O)c1cc2ccc(F)cc2s1 Amb20624671 [0,2,0,0,0,0|1,0,0]=3 4757 B15R2.1590 COC(=O)c1cc2ccc(I)cc2o1 Amb22496836 [0,2,0,0,0,0|1,0,0]=3 4758 B15R2.1590 COC(=O)c1cc2ccc(N)cc2o1 Amb25142008 [0,2,0,0,0,0|1,0,0]=3 4759 B15R2.1590 COC(=O)c1cc2ccc(N)cc2s1 Amb18655808 [0,2,0,0,0,0|1,0,0]=3 4760 B15R2.1590 COC(=O)c1cc2ccc(O)cc2o1 Amb22496865 [0,2,0,0,0,0|1,0,0]=3 4761 B15R2.1590 COC(=O)c1cc2cnc(Cl)cc2o1 Amb27273160 [0,2,0,0,0,0|2,0,0]=4 4762 B15R2.1590 COC(=O)c1cn2cc(Br)ccc2n1 Amb4032694 [0,2,0,0,0,0|1,0,1]=4 4763 B15R2.1590 COC(=O)c1cn2cc(Cl)ccc2n1 Amb12805595 [0,2,0,0,0,0|1,0,1]=4 4764 B15R2.1590 COC(=O)c1cn2cc(F)ccc2n1 Amb26596313 [0,2,0,0,0,0|1,0,1]=4 4765 B15R2.1590 COC(=O)c1cn2cc(I)ccc2n1 Amb32424260 [0,2,0,0,0,0|1,0,1]=4 4766 B15R2.1590 COC(=O)c1cn2ccc(Br)cc2n1 Amb10067880 [0,2,0,0,0,0|1,0,1]=4 4767 B15R2.1590 COC(=O)c1cn2ccc(Cl)cc2n1 Amb12805594 [0,2,0,0,0,0|1,0,1]=4 4768 B15R2.1590 COC(=O)c1nc2cc(Br)ccc2o1 Amb21858306 [0,2,0,0,0,0|1,0,1]=4 4769 B15R2.1590 COC(=O)c1nc2cc(Br)ccc2s1 Amb22754674 [0,2,0,0,0,0|1,0,1]=4 4770 B15R2.1590 COC(=O)c1nc2cc(C)ccc2s1 Amb28255847 [0,2,0,0,0,0|1,0,1]=4 4771 B15R2.1590 COC(=O)c1nc2cc(Cl)ccc2o1 Amb15693527 [0,2,0,0,0,0|1,0,1]=4 4772 B15R2.1590 COC(=O)c1nc2cc(Cl)ccc2s1 Amb32419593 [0,2,0,0,0,0|1,0,1]=4 4773 B15R2.1590 COC(=O)c1nc2cc(F)ccc2o1 Amb22756370 [0,2,0,0,0,0|1,0,1]=4 4774 B15R2.1590 COC(=O)c1nc2cc(N)ccc2o1 Amb21858292 [0,2,0,0,0,0|1,0,1]=4 4775 B15R2.1590 COC(=O)c1nc2cc(N)ccc2s1 Amb27242790 [0,2,0,0,0,0|1,0,1]=4 4776 B15R2.1590 COC(=O)c1nc2cc(O)ccc2o1 Amb27224211 [0,2,0,0,0,0|1,0,1]=4 4777 B15R2.1590 COC(=O)c1nc2cc(O)ccc2s1 Amb26593200 [0,2,0,0,0,0|1,0,1]=4 4778 B15R2.1590 COC(=O)c1nc2cc(S)ccc2o1 Amb26442419 [0,2,0,0,0,0|1,0,1]=4 4779 B15R2.1590 COC(=O)c1nc2ccc(Br)cc2o1 Amb21858365 [0,2,0,0,0,0|1,0,1]=4 4780 B15R2.1590 COC(=O)c1nc2ccc(Br)cc2s1 Amb21963285 [0,2,0,0,0,0|1,0,1]=4 4781 B15R2.1590 COC(=O)c1nc2ccc(C)cc2o1 Amb24644034 [0,2,0,0,0,0|1,0,1]=4 4782 B15R2.1590 COC(=O)c1nc2ccc(C)cc2s1 Amb22886647 [0,2,0,0,0,0|1,0,1]=4 4783 B15R2.1590 COC(=O)c1nc2ccc(Cl)cc2o1 Amb27663712 [0,2,0,0,0,0|1,0,1]=4 4784 B15R2.1590 COC(=O)c1nc2ccc(Cl)cc2s1 Amb22755052 [0,2,0,0,0,0|1,0,1]=4 4785 B15R2.1590 COC(=O)c1nc2ccc(F)cc2s1 Amb27437233 [0,2,0,0,0,0|1,0,1]=4 4786 B15R2.1590 COC(=O)c1nc2ccc(I)cc2o1 Amb27962596 [0,2,0,0,0,0|1,0,1]=4 4787 B15R2.1590 COC(=O)c1nc2ccc(N)cc2o1 Amb26317803 [0,2,0,0,0,0|1,0,1]=4 4788 B15R2.1590 COC(=O)c1nc2ccc(N)cc2s1 Amb26897431 [0,2,0,0,0,0|1,0,1]=4 4789 B15R2.1590 COC(=O)c1nc2ccc(O)cc2o1 Amb26657838 [0,2,0,0,0,0|1,0,1]=4 4790 B15R2.1590 COC(=O)c1nc2ccc(O)cc2s1 Amb27397610 [0,2,0,0,0,0|1,0,1]=4 4791 B15R2.1590 COC(=O)c1nc2ccc(S)cc2o1 Amb28286750 [0,2,0,0,0,0|1,0,1]=4 4792 B15R2.1590 Cc1ccc2oc(C(=O)CBr)cc2c1 Amb26994409 [0,2,0,0,0,0|2,0,0]=4 4793 B15R2.1590 NCC(=O)c1cc2cc(F)ccc2o1 Amb27241447 [0,2,0,0,0,0|2,0,0]=4 4794 B15R2.1590 NCC(=O)c1cc2ccc(F)cc2s1 Amb27758371 [0,2,0,0,0,0|2,0,0]=4 4795 B15R2.1590 NNC(=O)c1cc2cc(Br)ccc2s1 Amb3650076 [0,2,0,0,0,0|2,0,0]=4 4796 B15R2.1590 NNC(=O)c1cc2cc(Cl)ccc2o1 Amb1837817 [0,2,0,0,0,0|2,0,0]=4 4797 B15R2.1590 NNC(=O)c1cc2cc(F)ccc2s1 Amb8998176 [0,2,0,0,0,0|2,0,0]=4 4798 B15R2.1590 NNC(=O)c1cc2cc(N)ccc2o1 Amb9677809 [0,2,0,0,0,0|2,0,0]=4 4799 B15R2.1590 NNC(=O)c1cc2ccc(Cl)cc2s1 Amb9677831 [0,2,0,0,0,0|2,0,0]=4 4800 B15R2.1590 N\C(=N\O)c1cc2cc(F)ccc2o1 Amb28119912 [0,2,0,0,0,0|2,0,0]=4 4801 B15R2.1590 N\C(=N\O)c1cc2ccc(F)cc2o1 Amb27659291 [0,2,0,0,0,0|2,0,0]=4 4802 B15R2.1590 O=C(CBr)c1cc2cc(Br)ccc2s1 Amb28255872 [0,2,0,0,0,0|2,0,0]=4 4803 B15R2.1590 O=C(CBr)c1cc2cc(Cl)ccc2o1 Amb1106113 [0,2,0,0,0,0|2,0,0]=4 4804 B15R2.1590 O=C(CBr)c1cc2ccc(F)cc2o1 Amb28255900 [0,2,0,0,0,0|2,0,0]=4 4805 B15R2.1590 O=C(CCl)c1cc2ccc(F)cc2s1 Amb27215886 [0,2,0,0,0,0|2,0,0]=4 4806 B15R2.1590 O=C(O[K])c1cc2ccc(Cl)cc2s1 Amb2235870 [0,2,0,0,0,0|1,0,0]=3 4807 B15R2.1598 CCC(=O)c1cc2c(Br)cccc2s1 Amb27631773 [0,2,0,0,0,0|2,0,0]=4 4808 B15R2.1598 CCC(=O)c1cc2c(F)cccc2s1 Amb27209649 [0,2,0,0,0,0|2,0,0]=4 4809 B15R2.1598 CCC(=O)c1cc2cccc(Br)c2o1 Amb27605986 [0,2,0,0,0,0|2,0,0]=4 4810 B15R2.1598 CCC(=O)c1cc2cccc(C)c2o1 Amb28141977 [0,2,0,0,0,0|2,0,0]=4 4811 B15R2.1598 CNC(=O)c1cc2c(F)cccc2s1 Amb142535 [0,2,0,0,0,0|2,0,0]=4 4812 B15R2.1598 CNC(=O)c1cc2cccc(C)c2o1 Amb22971892 [0,2,0,0,0,0|2,0,0]=4 4813 B15R2.1598 COC(=O)C1Cc2c(Br)cccc2N1 Amb27193685 [0,2,0,0,0,0|0,0,2]=4 4814 B15R2.1598 COC(=O)C1Cc2c(C)cccc2N1 Amb27159878 [0,2,0,0,0,0|0,0,2]=4 4815 B15R2.1598 COC(=O)C1Cc2c(C)cccc2N1 Amb32656085 [0,2,0,0,0,0|0,0,2]=4 4816 B15R2.1598 COC(=O)C1Cc2c(Cl)cccc2N1 Amb27256688 [0,2,0,0,0,0|0,0,2]=4 4817 B15R2.1598 COC(=O)C1Cc2c(F)cccc2N1 Amb27860229 [0,2,0,0,0,0|0,0,2]=4 4818 B15R2.1598 COC(=O)C1Cc2c(O)cccc2N1 Amb31260975 [0,2,0,0,0,0|0,0,2]=4 4819 B15R2.1598 COC(=O)C1Cc2c(O)cccc2N1 Amb32645723 [0,2,0,0,0,0|0,0,2]=4 4820 B15R2.1598 COC(=O)C1Cc2cccc(F)c2N1 Amb27755046 [0,2,0,0,0,0|0,0,2]=4 4821 B15R2.1598 COC(=O)[C@@H]1Cc2c(C)cccc2N1 Amb27950125 [0,2,0,0,0,0|0,0,2]=4 4822 B15R2.1598 COC(=O)[C@@H]1Cc2cccc(Cl)c2N1 Amb27948093 [0,2,0,0,0,0|0,0,2]=4 4823 B15R2.1598 COC(=O)c1cc2c(Br)cccc2o1 Amb24567628 [0,2,0,0,0,0|1,0,0]=3 4824 B15R2.1598 COC(=O)c1cc2c(Br)cccc2s1 Amb6384448 [0,2,0,0,0,0|1,0,0]=3 4825 B15R2.1598 COC(=O)c1cc2c(Br)cccn2n1 Amb25692348 [0,2,0,0,0,0|1,0,1]=4 4826 B15R2.1598 COC(=O)c1cc2c(Br)ccnc2s1 Amb25855066 [0,2,0,0,0,0|2,0,0]=4 4827 B15R2.1598 COC(=O)c1cc2c(Br)cncc2s1 Amb13891848 [0,2,0,0,0,0|2,0,0]=4 4828 B15R2.1598 COC(=O)c1cc2c(C)cccc2o1 Amb33166892 [0,2,0,0,0,0|1,0,0]=3 4829 B15R2.1598 COC(=O)c1cc2c(Cl)cccc2o1 Amb21927567 [0,2,0,0,0,0|1,0,0]=3 4830 B15R2.1598 COC(=O)c1cc2c(Cl)cccc2s1 Amb6384248 [0,2,0,0,0,0|1,0,0]=3 4831 B15R2.1598 COC(=O)c1cc2c(Cl)cncc2s1 Amb21963454 [0,2,0,0,0,0|2,0,0]=4 4832 B15R2.1598 COC(=O)c1cc2c(Cl)nccc2o1 Amb27600762 [0,2,0,0,0,0|2,0,0]=4 4833 B15R2.1598 COC(=O)c1cc2c(Cl)nccc2s1 Amb28368189 [0,2,0,0,0,0|2,0,0]=4 4834 B15R2.1598 COC(=O)c1cc2c(F)cccc2s1 Amb5402242 [0,2,0,0,0,0|1,0,0]=3 4835 B15R2.1598 COC(=O)c1cc2c(F)cncc2s1 Amb24454749 [0,2,0,0,0,0|2,0,0]=4 4836 B15R2.1598 COC(=O)c1cc2c(I)cccc2s1 Amb22753923 [0,2,0,0,0,0|1,0,0]=3 4837 B15R2.1598 COC(=O)c1cc2c(N)cccc2o1 Amb23402655 [0,2,0,0,0,0|1,0,0]=3 4838 B15R2.1598 COC(=O)c1cc2c(N)cccc2s1 Amb24096231 [0,2,0,0,0,0|1,0,0]=3 4839 B15R2.1598 COC(=O)c1cc2c(N)cccc2s1 Amb32684560 [0,2,0,0,0,0|1,0,0]=3 4840 B15R2.1598 COC(=O)c1cc2c(O)cccc2s1 Amb26377509 [0,2,0,0,0,0|1,0,0]=3 4841 B15R2.1598 COC(=O)c1cc2c(s1)C=CNC2=O Amb25914252 [0,2,0,0,0,0|2,0,0]=4 4842 B15R2.1598 COC(=O)c1cc2cccc(Br)c2o1 Amb20622819 [0,2,0,0,0,0|1,0,0]=3 4843 B15R2.1598 COC(=O)c1cc2cccc(Br)c2s1 Amb6384449 [0,2,0,0,0,0|1,0,0]=3 4844 B15R2.1598 COC(=O)c1cc2cccc(Br)n2n1 Amb27182903 [0,2,0,0,0,0|1,0,1]=4 4845 B15R2.1598 COC(=O)c1cc2cccc(C)c2o1 Amb22496862 [0,2,0,0,0,0|1,0,0]=3 4846 B15R2.1598 COC(=O)c1cc2cccc(C)n2c1 Amb27186017 [0,2,0,0,0,0|2,0,0]=4 4847 B15R2.1598 COC(=O)c1cc2cccc(Cl)c2o1 Amb26904532 [0,2,0,0,0,0|1,0,0]=3 4848 B15R2.1598 COC(=O)c1cc2cccc(Cl)c2s1 Amb6384471 [0,2,0,0,0,0|1,0,0]=3 4849 B15R2.1598 COC(=O)c1cc2cccc(F)c2o1 Amb27474437 [0,2,0,0,0,0|1,0,0]=3 4850 B15R2.1598 COC(=O)c1cc2cccc(F)c2s1 Amb6384467 [0,2,0,0,0,0|1,0,0]=3 4851 B15R2.1598 COC(=O)c1cc2cccc(I)c2s1 Amb27209959 [0,2,0,0,0,0|1,0,0]=3 4852 B15R2.1598 COC(=O)c1cc2cccc(N)c2o1 Amb25045194 [0,2,0,0,0,0|1,0,0]=3 4853 B15R2.1598 COC(=O)c1cc2cccc(N)c2s1 Amb22750847 [0,2,0,0,0,0|1,0,0]=3 4854 B15R2.1598 COC(=O)c1cc2cccc(O)c2o1 Amb22496856 [0,2,0,0,0,0|1,0,0]=3 4855 B15R2.1598 COC(=O)c1cc2cccc(O)c2s1 Amb25373289 [0,2,0,0,0,0|1,0,0]=3 4856 B15R2.1598 COC(=O)c1cc2ccnc(Cl)c2o1 Amb25727898 [0,2,0,0,0,0|2,0,0]=4 4857 B15R2.1598 COC(=O)c1cc2ccnc(Cl)c2s1 Amb27436613 [0,2,0,0,0,0|2,0,0]=4 4858 B15R2.1598 COC(=O)c1cc2cncc(Br)c2s1 Amb32677690 [0,2,0,0,0,0|2,0,0]=4 4859 B15R2.1598 COC(=O)c1cc2cncc(Cl)c2s1 Amb32757283 [0,2,0,0,0,0|2,0,0]=4 4860 B15R2.1598 COC(=O)c1cc2nccc(Cl)c2s1 Amb25778282 [0,2,0,0,0,0|2,0,0]=4 4861 B15R2.1598 COC(=O)c1cn2c(Br)cccc2n1 Amb10067511 [0,2,0,0,0,0|1,0,1]=4 4862 B15R2.1598 COC(=O)c1cn2c(F)cccc2n1 Amb28042462 [0,2,0,0,0,0|1,0,1]=4 4863 B15R2.1598 COC(=O)c1cn2c(N)cccc2n1 Amb24654679 [0,2,0,0,0,0|1,0,1]=4 4864 B15R2.1598 COC(=O)c1cn2cccc(Br)c2n1 Amb27388862 [0,2,0,0,0,0|1,0,1]=4 4865 B15R2.1598 COC(=O)c1cn2cccc(C)c2n1 Amb21980501 [0,2,0,0,0,0|1,0,1]=4 4866 B15R2.1598 COC(=O)c1nc2c(Br)cccc2o1 Amb20076008 [0,2,0,0,0,0|1,0,1]=4 4867 B15R2.1598 COC(=O)c1nc2c(C)cccc2o1 Amb26424583 [0,2,0,0,0,0|1,0,1]=4 4868 B15R2.1598 COC(=O)c1nc2c(C)cccc2s1 Amb27798915 [0,2,0,0,0,0|1,0,1]=4 4869 B15R2.1598 COC(=O)c1nc2c(Cl)cccc2o1 Amb27196753 [0,2,0,0,0,0|1,0,1]=4 4870 B15R2.1598 COC(=O)c1nc2c(Cl)cccc2s1 Amb22755061 [0,2,0,0,0,0|1,0,1]=4 4871 B15R2.1598 COC(=O)c1nc2c(F)cccc2o1 Amb27470155 [0,2,0,0,0,0|1,0,1]=4 4872 B15R2.1598 COC(=O)c1nc2c(I)cccc2o1 Amb24697021 [0,2,0,0,0,0|1,0,1]=4 4873 B15R2.1598 COC(=O)c1nc2c(N)cccc2o1 Amb22490367 [0,2,0,0,0,0|1,0,1]=4 4874 B15R2.1598 COC(=O)c1nc2c(O)cccc2o1 Amb26576825 [0,2,0,0,0,0|1,0,1]=4 4875 B15R2.1598 COC(=O)c1nc2c(O)cccc2s1 Amb25331332 [0,2,0,0,0,0|1,0,1]=4 4876 B15R2.1598 COC(=O)c1nc2c(S)cccc2o1 Amb24727723 [0,2,0,0,0,0|1,0,1]=4 4877 B15R2.1598 COC(=O)c1nc2cccc(Br)c2s1 Amb25164966 [0,2,0,0,0,0|1,0,1]=4 4878 B15R2.1598 COC(=O)c1nc2cccc(Cl)c2o1 Amb24593566 [0,2,0,0,0,0|1,0,1]=4 4879 B15R2.1598 COC(=O)c1nc2cccc(Cl)c2s1 Amb32419592 [0,2,0,0,0,0|1,0,1]=4 4880 B15R2.1598 COC(=O)c1nc2cccc(F)c2o1 Amb24361879 [0,2,0,0,0,0|1,0,1]=4 4881 B15R2.1598 COC(=O)c1nc2cccc(I)c2o1 Amb27851519 [0,2,0,0,0,0|1,0,1]=4 4882 B15R2.1598 COC(=O)c1nc2cccc(N)c2o1 Amb26906590 [0,2,0,0,0,0|1,0,1]=4 4883 B15R2.1598 COC(=O)c1nc2cccc(O)c2s1 Amb27797138 [0,2,0,0,0,0|1,0,1]=4 4884 B15R2.1598 COC(=O)c1nc2cccc(S)c2o1 Amb27445857 [0,2,0,0,0,0|1,0,1]=4 4885 B15R2.1598 Cc1cccc2cc(C(O)C=O)oc12 Amb28313306 [0,2,0,0,0,0|1,0,1]=4 4886 B15R2.1598 NNC(=O)c1cc2c(Br)cccc2s1 Amb27425384 [0,2,0,0,0,0|2,0,0]=4 4887 B15R2.1598 NNC(=O)c1cc2c(Cl)cccc2s1 Amb32757518 [0,2,0,0,0,0|2,0,0]=4 4888 B15R2.1598 NNC(=O)c1cc2c(Cl)cccc2s1 Amb6384484 [0,2,0,0,0,0|2,0,0]=4 4889 B15R2.1598 NNC(=O)c1cc2c(F)cccc2s1 Amb8998120 [0,2,0,0,0,0|2,0,0]=4 4890 B15R2.1598 NNC(=O)c1cc2cccc(Br)c2o1 Amb27200274 [0,2,0,0,0,0|2,0,0]=4 4891 B15R2.1598 NNC(=O)c1cc2cccc(Br)c2s1 Amb22736413 [0,2,0,0,0,0|2,0,0]=4 4892 B15R2.1598 NNC(=O)c1cc2cccc(Cl)c2s1 Amb27597642 [0,2,0,0,0,0|2,0,0]=4 4893 B15R2.1598 NNC(=O)c1cc2cccc(F)c2s1 Amb9677830 [0,2,0,0,0,0|2,0,0]=4 4894 B15R2.1598 N\C(=N\O)c1cc2c(F)cccc2o1 Amb27400656 [0,2,0,0,0,0|2,0,0]=4 4895 B15R2.1598 O=C(CBr)c1cc2c(F)cccc2o1 Amb27209936 [0,2,0,0,0,0|2,0,0]=4 4896 B15R2.1598 O=C(NO)c1cc2cccc(Br)c2o1 Amb27746730 [0,2,0,0,0,0|1,0,0]=3 4897 B15R2.1598 O=CC(O)c1cc2cccc(F)c2o1 Amb27436759 [0,2,0,0,0,0|1,0,1]=4 4898 B15R2.7250 O=S(=O)(O)c1cc2ccc(Cl)cc2s1 Amb27186131 [0,2,0,0,0,0|2,0,0]=4 4899 B15R2.1102 CC(=O)c1cc2cc(C)c(C)cc2o1 Amb9834193 [0,2,0,0,0,0|2,0,0]=4 4900 B15R2.1102 CC(=O)c1cc2cc(C)c(F)cc2o1 Amb27226268 [0,2,0,0,0,0|2,0,0]=4 4901 B15R2.1102 CC(=O)c1cc2cc(N)c(C)cc2o1 Amb18138295 [0,2,0,0,0,0|2,0,0]=4 4902 B15R2.1102 CC(=O)c1cc2cc(N)c(Cl)cc2o1 Amb18670682 [0,2,0,0,0,0|2,0,0]=4 4903 B15R2.1102 CC(=O)c1cc2cc(N)c(Cl)cc2s1 Amb18670788 [0,2,0,0,0,0|2,0,0]=4 4904 B15R2.1102 Cc1cc2cc(C(=O)O)cn2cc1N Amb18819585 [0,2,0,0,0,0|2,0,0]=4 4905 B15R2.1102 Cc1cc2cc(C(=O)O)oc2cc1C Amb18650381 [0,2,0,0,0,0|1,0,0]=3 4906 B15R2.1102 Cc1cc2cc(C(=O)O)sc2cc1Cl Amb27487411 [0,2,0,0,0,0|1,0,0]=3 4907 B15R2.1102 Cc1cc2nc(C(=O)O)cn2cc1Br Amb17212432 [0,2,0,0,0,0|1,0,1]=4 4908 B15R2.1102 Cc1cc2nc(C(=O)O)cn2cc1C Amb26873797 [0,2,0,0,0,0|1,0,1]=4 4909 B15R2.1102 Cc1cc2nc(C(=O)O)cn2cc1C Amb35750837 [0,2,0,0,0,0|1,0,1]=4 4910 B15R2.1102 Cc1cc2nc(C(=O)O)cn2cc1I Amb22057914 [0,2,0,0,0,0|1,0,1]=4 4911 B15R2.1102 Cc1cc2oc(C(=O)O)cc2cc1Br Amb22751597 [0,2,0,0,0,0|1,0,0]=3 4912 B15R2.1102 Cc1cc2oc(C(=O)O)cc2cc1Cl Amb33166866 [0,2,0,0,0,0|1,0,0]=3 4913 B15R2.1102 Cc1cc2oc(C(=O)O)cc2cc1N Amb18670702 [0,2,0,0,0,0|1,0,0]=3 4914 B15R2.1102 Cc1cc2sc(C(=O)O)cc2cc1Br Amb27846518 [0,2,0,0,0,0|1,0,0]=3 4915 B15R2.1102 Cc1cc2sc(C(=O)O)cc2cc1N Amb18670811 [0,2,0,0,0,0|1,0,0]=3 4916 B15R2.1102 Cc1cc2sc(C(=O)O)cc2cc1O Amb27195992 [0,2,0,0,0,0|1,0,0]=3 4917 B15R2.1102 Nc1cc2c(cc1O)N[C@@H](C(=O)O)C2 Amb28369779 [0,2,0,0,0,0|0,0,2]=4 4918 B15R2.1102 Nc1cc2cc(C(=O)O)oc2cc1Cl Amb18670708 [0,2,0,0,0,0|1,0,0]=3 4919 B15R2.1102 Nc1cc2cc(C(=O)O)oc2cc1F Amb18670706 [0,2,0,0,0,0|1,0,0]=3 4920 B15R2.1102 Nc1cc2cc(C(=O)O)sc2cc1Cl Amb18670817 [0,2,0,0,0,0|1,0,0]=3 4921 B15R2.1102 Nc1cc2cc(C(=O)O)sc2cc1F Amb18670815 [0,2,0,0,0,0|1,0,0]=3 4922 B15R2.1102 Nc1cc2cc(C(=O)O)sc2cc1O Amb27460346 [0,2,0,0,0,0|1,0,0]=3 4923 B15R2.1102 Nc1cc2cc(C(=O)O)sc2cc1S Amb27439400 [0,2,0,0,0,0|1,0,0]=3 4924 B15R2.1102 Nc1cc2sc(C(=O)O)cc2cc1S Amb27654311 [0,2,0,0,0,0|1,0,0]=3 4925 B15R2.1102 O=C(O)[C@@H]1Cc2cc(O)c(O)cc2N1 Amb26851470 [0,2,0,0,0,0|0,0,2]=4 4926 B15R2.1102 O=C(O)c1cc2cc(Br)c(Br)cc2s1 Amb28072094 [0,2,0,0,0,0|1,0,0]=3 4927 B15R2.1102 O=C(O)c1cc2cc(Br)c(F)cc2s1 Amb27225357 [0,2,0,0,0,0|1,0,0]=3 4928 B15R2.1102 O=C(O)c1cc2cc(Br)c(O)cc2o1 Amb23568416 [0,2,0,0,0,0|1,0,0]=3 4929 B15R2.1102 O=C(O)c1cc2cc(Br)c(O)cc2s1 Amb27846338 [0,2,0,0,0,0|1,0,0]=3 4930 B15R2.1102 O=C(O)c1cc2cc(Cl)c(F)cc2o1 Amb26608388 [0,2,0,0,0,0|1,0,0]=3 4931 B15R2.1102 O=C(O)c1cc2cc(Cl)c(F)cc2s1 Amb27632909 [0,2,0,0,0,0|1,0,0]=3 4932 B15R2.1102 O=C(O)c1cc2cc(Cl)c(I)cc2s1 Amb27237472 [0,2,0,0,0,0|1,0,0]=3 4933 B15R2.1102 O=C(O)c1cc2cc(Cl)c(O)cc2o1 Amb23568415 [0,2,0,0,0,0|1,0,0]=3 4934 B15R2.1102 O=C(O)c1cc2cc(Cl)c(O)cc2s1 Amb27474921 [0,2,0,0,0,0|1,0,0]=3 4935 B15R2.1102 O=C(O)c1cc2cc(Cl)c(S)cc2s1 Amb27459041 [0,2,0,0,0,0|1,0,0]=3 4936 B15R2.1102 O=C(O)c1cc2cc(F)c(Br)cc2s1 Amb27225359 [0,2,0,0,0,0|1,0,0]=3 4937 B15R2.1102 O=C(O)c1cc2cc(F)c(Cl)cc2s1 Amb27798668 [0,2,0,0,0,0|1,0,0]=3 4938 B15R2.1102 O=C(O)c1cc2cc(F)c(Cl)nc2s1 Amb32655497 [0,2,0,0,0,0|2,0,0]=4 4939 B15R2.1102 O=C(O)c1cc2cc(F)c(F)cc2o1 Amb25900912 [0,2,0,0,0,0|1,0,0]=3 4940 B15R2.1102 O=C(O)c1cc2cc(F)c(I)cc2s1 Amb27194571 [0,2,0,0,0,0|1,0,0]=3 4941 B15R2.1102 O=C(O)c1cc2cc(I)c(Cl)cc2s1 Amb27619969 [0,2,0,0,0,0|1,0,0]=3 4942 B15R2.1102 O=C(O)c1cc2cc(I)c(I)cc2s1 Amb28428803 [0,2,0,0,0,0|1,0,0]=3 4943 B15R2.1102 O=C(O)c1cc2cc(O)c(Br)cc2s1 Amb27622276 [0,2,0,0,0,0|1,0,0]=3 4944 B15R2.1102 O=C(O)c1cc2cc(O)c(Cl)cc2s1 Amb27870083 [0,2,0,0,0,0|1,0,0]=3 4945 B15R2.1102 O=C(O)c1cc2cc(O)c(F)cc2s1 Amb28248187 [0,2,0,0,0,0|1,0,0]=3 4946 B15R2.1102 O=C(O)c1cc2cc(O)c(O)cc2s1 Amb27797304 [0,2,0,0,0,0|1,0,0]=3 4947 B15R2.1102 O=C(O)c1cc2cc(O)c(S)cc2s1 Amb28057821 [0,2,0,0,0,0|1,0,0]=3 4948 B15R2.1102 O=C(O)c1cn2cc(F)c(Br)cc2n1 Amb34155429 [0,2,0,0,0,0|1,0,1]=4 4949 B15R2.1102 O=C(O)c1cn2cc(F)c(Cl)cc2n1 Amb34161870 [0,2,0,0,0,0|1,0,1]=4 4950 B15R2.1102 O=C(O)c1nc2cc(F)c(F)cc2o1 Amb25671070 [0,2,0,0,0,0|1,0,1]=4 4951 B15R2.1102 O=C1C=C2CC(C(=O)O)NC2=CC1=O Amb25900830 [0,2,0,0,0,0|0,0,2]=4 4952 B15R2.1102 O=C1C=C2NC(C(=O)O)C=C2CC1=O Amb27486465 [0,2,0,0,0,0|0,0,2]=4 4953 B15R2.4834 C#Cc1ccc2c(c1)C[C@H](C(=O)O)N2 Amb27169522 [0,2,0,0,0,0|0,0,2]=4 4954 B15R2.4834 C#Cc1ccc2c(c1)NC(C(=O)O)C2 Amb28146802 [0,2,0,0,0,0|0,0,2]=4 4955 B15R2.4834 C#Cc1ccc2c(c1)N[C@@H](C(=O)O)C2 Amb27871414 [0,2,0,0,0,0|0,0,2]=4 4956 B15R2.4834 C=Cc1ccc2c(c1)N[C@@H](C(=O)O)C2 Amb27588079 [0,2,0,0,0,0|0,0,2]=4 4957 B15R2.4834 CC(=O)c1cc2cc(C#N)ccc2o1 Amb27163246 [0,2,0,0,0,0|2,0,0]=4 4958 B15R2.4834 CC(=O)c1cc2cc(C=O)ccc2o1 Amb10067984 [0,2,0,0,0,0|2,0,0]=4 4959 B15R2.4834 CCc1ccc2c(c1)NC(C(=O)O)C2 Amb24347074 [0,2,0,0,0,0|0,0,2]=4 4960 B15R2.4834 CCc1ccc2nc(C(=O)O)oc2c1 Amb24695653 [0,2,0,0,0,0|1,0,1]=4 4961 B15R2.4834 CCc1ccc2nc(C(=O)O)sc2c1 Amb18671243 [0,2,0,0,0,0|1,0,1]=4 4962 B15R2.4834 CCc1ccc2oc(C(=O)O)cc2c1 Amb7094343 [0,2,0,0,0,0|1,0,0]=3 4963 B15R2.4834 CCc1ccc2oc(C(=O)O)nc2c1 Amb27795038 [0,2,0,0,0,0|1,0,1]=4 4964 B15R2.4834 CCc1ccc2oc(C(C)=O)cc2c1 Amb7094345 [0,2,0,0,0,0|2,0,0]=4 4965 B15R2.4834 CCc1ccn2cc(C(=O)O)nc2c1 Amb25950686 [0,2,0,0,0,0|1,0,1]=4 4966 B15R2.4834 CNc1ccc2c(c1)C[C@@H](C(=O)O)N2 Amb28401466 [0,2,0,0,0,0|0,0,2]=4 4967 B15R2.4834 COc1ccc2c(c1)CC(C(=O)O)N2 Amb18561159 [0,2,0,0,0,0|0,0,2]=4 4968 B15R2.4834 COc1ccc2c(c1)C[C@@H](C(=O)O)N2 Amb27418208 [0,2,0,0,0,0|0,0,2]=4 4969 B15R2.4834 COc1ccc2c(c1)NC(C(=O)O)C2 Amb18561157 [0,2,0,0,0,0|0,0,2]=4 4970 B15R2.4834 COc1ccc2c(c1)N[C@H](C(=O)O)C2 Amb27639242 [0,2,0,0,0,0|0,0,2]=4 4971 B15R2.4834 COc1ccc2cc(C(=O)O)cn2c1 Amb18818980 [0,2,0,0,0,0|2,0,0]=4 4972 B15R2.4834 COc1ccc2cc(C(=O)O)nn2c1 Amb27257310 [0,2,0,0,0,0|1,0,1]=4 4973 B15R2.4834 COc1ccc2cc(C(=O)O)oc2c1 Amb1102688 [0,2,0,0,0,0|1,0,0]=3 4974 B15R2.4834 COc1ccc2cc(C(=O)O)sc2c1 Amb5328952 [0,2,0,0,0,0|1,0,0]=3 4975 B15R2.4834 COc1ccc2cc(C(C)=O)oc2c1 Amb17334033 [0,2,0,0,0,0|2,0,0]=4 4976 B15R2.4834 COc1ccc2cc(C(N)=O)oc2c1 Amb27659316 [0,2,0,0,0,0|2,0,0]=4 4977 B15R2.4834 COc1ccc2nc(C(=O)O)cn2c1 Amb22757317 [0,2,0,0,0,0|1,0,1]=4 4978 B15R2.4834 COc1ccc2nc(C(=O)O)oc2c1 Amb22491391 [0,2,0,0,0,0|1,0,1]=4 4979 B15R2.4834 COc1ccc2nc(C(=O)O)sc2c1 Amb2610931 [0,2,0,0,0,0|1,0,1]=4 4980 B15R2.4834 COc1ccc2oc(C(=O)O)cc2c1 Amb1092556 [0,2,0,0,0,0|1,0,0]=3 4981 B15R2.4834 COc1ccc2oc(C(=O)O)cc2n1 Amb18816845 [0,2,0,0,0,0|2,0,0]=4 4982 B15R2.4834 COc1ccc2oc(C(C)=O)cc2c1 Amb7094354 [0,2,0,0,0,0|2,0,0]=4 4983 B15R2.4834 COc1ccc2oc(C(N)=O)cc2c1 Amb2410919 [0,2,0,0,0,0|2,0,0]=4 4984 B15R2.4834 COc1ccc2sc(C(=O)O)cc2c1 Amb5328942 [0,2,0,0,0,0|1,0,0]=3 4985 B15R2.4834 COc1ccc2sc(C(=O)O)cc2n1 Amb18776095 [0,2,0,0,0,0|2,0,0]=4 4986 B15R2.4834 COc1ccc2sc(C(=O)O)nc2c1 Amb21964271 [0,2,0,0,0,0|1,0,1]=4 4987 B15R2.4834 COc1ccc2sc(C(C)=O)cc2c1 Amb27824164 [0,2,0,0,0,0|2,0,0]=4 4988 B15R2.4834 COc1ccn2cc(C(=O)O)nc2c1 Amb24095589 [0,2,0,0,0,0|1,0,1]=4 4989 B15R2.4834 COc1ccn2nc(C(=O)O)cc2c1 Amb22899047 [0,2,0,0,0,0|1,0,1]=4 4990 B15R2.4834 CSc1ccc2nc(C(=O)O)oc2c1 Amb27193287 [0,2,0,0,0,0|1,0,1]=4 4991 B15R2.4834 CSc1ccc2oc(C(=O)O)nc2c1 Amb25941990 [0,2,0,0,0,0|1,0,1]=4 4992 B15R2.4834 N#Cc1ccc2cc(C(=O)O)oc2c1 Amb27762979 [0,2,0,0,0,0|1,0,0]=3 4993 B15R2.4834 N#Cc1ccc2cc(C(N)=O)sc2c1 Amb18653930 [0,2,0,0,0,0|2,0,0]=4 4994 B15R2.4834 N#Cc1ccc2nc(C(=O)O)cn2c1 Amb16230778 [0,2,0,0,0,0|1,0,1]=4 4995 B15R2.4834 N#Cc1ccc2nc(C(=O)O)oc2c1 Amb25814307 [0,2,0,0,0,0|1,0,1]=4 4996 B15R2.4834 N#Cc1ccc2nc(C(=O)O)sc2c1 Amb25277353 [0,2,0,0,0,0|1,0,1]=4 4997 B15R2.4834 N#Cc1ccc2oc(C(=O)Cl)cc2c1 Amb28129789 [0,2,0,0,0,0|2,0,0]=4 4998 B15R2.4834 N#Cc1ccc2oc(C(=O)O)cc2c1 Amb9768113 [0,2,0,0,0,0|1,0,0]=3 4999 B15R2.4834 N#Cc1ccc2oc(C(=O)O)nc2c1 Amb26004220 [0,2,0,0,0,0|1,0,1]=4 5000 B15R2.4834 N#Cc1ccc2sc(C(=O)Cl)cc2c1 Amb27959191 [0,2,0,0,0,0|2,0,0]=4 5001 B15R2.4834 N#Cc1ccc2sc(C(=O)O)cc2c1 Amb22586205 [0,2,0,0,0,0|1,0,0]=3 5002 B15R2.4834 N#Cc1ccc2sc(C(=O)O)nc2c1 Amb31379066 [0,2,0,0,0,0|1,0,1]=4 5003 B15R2.4834 N#Cc1cnc2oc(C(=O)O)cc2c1 Amb18821278 [0,2,0,0,0,0|2,0,0]=4 5004 B15R2.4834 N#Cc1cnc2sc(C(=O)O)cc2c1 Amb18784839 [0,2,0,0,0,0|2,0,0]=4 5005 B15R2.4834 NCc1ccc2nc(C(=O)O)cn2c1 Amb26326331 [0,2,0,0,0,0|1,0,1]=4 5006 B15R2.4834 NCc1ccc2nc(C(=O)O)cn2c1 Amb32671446 [0,2,0,0,0,0|1,0,1]=4 5007 B15R2.4834 NCc1ccc2nc(C(=O)O)oc2c1 Amb25939086 [0,2,0,0,0,0|1,0,1]=4 5008 B15R2.4834 NCc1ccc2oc(C(=O)O)nc2c1 Amb25971903 [0,2,0,0,0,0|1,0,1]=4 5009 B15R2.4834 NNc1ccc2cc(C(=O)O)sc2c1 Amb33306877 [0,2,0,0,0,0|1,0,0]=3 5010 B15R2.4834 NNc1ccc2sc(C(=O)O)cc2c1 Amb33306884 [0,2,0,0,0,0|1,0,0]=3 5011 B15R2.4834 O=C(O)C1Cc2cc(CO)ccc2N1 Amb28279995 [0,2,0,0,0,0|0,0,2]=4 5012 B15R2.4834 O=C(O)c1cc2cc(CO)ccc2o1 Amb20093149 [0,2,0,0,0,0|1,0,0]=3 5013 B15R2.4834 O=C(O)c1cn2cc(CO)ccc2n1 Amb18632469 [0,2,0,0,0,0|1,0,1]=4 5014 B15R2.4834 O=C(O)c1nc2cc(CBr)ccc2o1 Amb26424573 [0,2,0,0,0,0|1,0,1]=4 5015 B15R2.4834 O=C(O)c1nc2cc(CCl)ccc2o1 Amb27192258 [0,2,0,0,0,0|1,0,1]=4 5016 B15R2.4834 O=C(O)c1nc2ccc(CO)cc2o1 Amb26576235 [0,2,0,0,0,0|1,0,1]=4 5017 B15R2.4834 O=Cc1cc2cc(C(=O)O)oc2cn1 Amb18819030 [0,2,0,0,0,0|2,0,0]=4 5018 B15R2.4834 O=Cc1cc2cc(C(=O)O)sc2cn1 Amb18779750 [0,2,0,0,0,0|2,0,0]=4 5019 B15R2.4834 O=Cc1ccc2cc(C(=O)O)oc2c1 Amb32696478 [0,2,0,0,0,0|1,0,0]=3 5020 B15R2.4834 O=Cc1ccc2nc(C(=O)O)cn2c1 Amb27222301 [0,2,0,0,0,0|1,0,1]=4 5021 B15R2.4834 O=Cc1ccc2nc(C(=O)O)oc2c1 Amb27965632 [0,2,0,0,0,0|1,0,1]=4 5022 B15R2.4834 O=Cc1ccc2oc(C(=O)O)cc2c1 Amb9677935 [0,2,0,0,0,0|1,0,0]=3 5023 B15R2.4834 O=Cc1ccc2oc(C(=O)O)nc2c1 Amb26608139 [0,2,0,0,0,0|1,0,1]=4 5024 B15R2.4834 O=Cc1cnc2oc(C(=O)O)cc2c1 Amb18819031 [0,2,0,0,0,0|2,0,0]=4 5025 B15R2.7254 CC(=O)c1cc2c(C)c(N)ccc2o1 Amb18138325 [0,2,0,0,0,0|2,0,0]=4 5026 B15R2.7254 CC(=O)c1cc2c(N)c(C)ccc2s1 Amb18670792 [0,2,0,0,0,0|2,0,0]=4 5027 B15R2.7254 CC(=O)c1cc2c(N)c(Cl)ccc2o1 Amb18670688 [0,2,0,0,0,0|2,0,0]=4 5028 B15R2.7254 CC(=O)c1cc2ccc(C)c(C)c2o1 Amb9834186 [0,2,0,0,0,0|2,0,0]=4 5029 B15R2.7254 CC(=O)c1cc2ccc(Cl)c(Cl)c2o1 Amb27463119 [0,2,0,0,0,0|2,0,0]=4 5030 B15R2.7254 CC(=O)c1cc2ccc(F)c(F)c2o1 Amb24679061 [0,2,0,0,0,0|2,0,0]=4 5031 B15R2.7254 CC(=O)c1cc2ccc(O)c(N)c2o1 Amb18818977 [0,2,0,0,0,0|2,0,0]=4 5032 B15R2.7254 Cc1c(Br)ccc2nc(C(=O)O)cn12 Amb25997377 [0,2,0,0,0,0|1,0,1]=4 5033 B15R2.7254 Cc1c(Br)ccc2sc(C(=O)O)cc12 Amb27224509 [0,2,0,0,0,0|1,0,0]=3 5034 B15R2.7254 Cc1c(Cl)ccc2cc(C(=O)O)oc12 Amb27643573 [0,2,0,0,0,0|1,0,0]=3 5035 B15R2.7254 Cc1c(Cl)ccc2cc(C(=O)O)sc12 Amb28135096 [0,2,0,0,0,0|1,0,0]=3 5036 B15R2.7254 Cc1c(Cl)ccc2nc(C(=O)O)cn12 Amb27241063 [0,2,0,0,0,0|1,0,1]=4 5037 B15R2.7254 Cc1c(F)ccc2cc(C(=O)O)sc12 Amb27439174 [0,2,0,0,0,0|1,0,0]=3 5038 B15R2.7254 Cc1c(F)ccc2sc(C(=O)O)cc12 Amb27622326 [0,2,0,0,0,0|1,0,0]=3 5039 B15R2.7254 Cc1c(I)ccc2sc(C(=O)O)cc12 Amb27788642 [0,2,0,0,0,0|1,0,0]=3 5040 B15R2.7254 Cc1c(N)ccc2cc(C(=O)O)cn12 Amb18819586 [0,2,0,0,0,0|2,0,0]=4 5041 B15R2.7254 Cc1c(N)ccc2oc(C(=O)O)cc12 Amb18670701 [0,2,0,0,0,0|1,0,0]=3 5042 B15R2.7254 Cc1c(N)ccc2sc(C(=O)O)cc12 Amb18138387 [0,2,0,0,0,0|1,0,0]=3 5043 B15R2.7254 Cc1c(O)ccc2cc(C(=O)O)sc12 Amb27881931 [0,2,0,0,0,0|1,0,0]=3 5044 B15R2.7254 Cc1c(O)ccc2sc(C(=O)O)cc12 Amb27447391 [0,2,0,0,0,0|1,0,0]=3 5045 B15R2.7254 Cc1ccc2c(c1C)CC(C(=O)O)N2 Amb32670503 [0,2,0,0,0,0|0,0,2]=4 5046 B15R2.7254 Cc1ccc2c(c1F)CC(C(=O)O)N2 Amb32670508 [0,2,0,0,0,0|0,0,2]=4 5047 B15R2.7254 Cc1ccc2cc(C(=O)O)sc2c1Br Amb28428792 [0,2,0,0,0,0|1,0,0]=3 5048 B15R2.7254 Cc1ccc2cc(C(=O)O)sc2c1C Amb24757112 [0,2,0,0,0,0|1,0,0]=3 5049 B15R2.7254 Cc1ccc2cc(C(=O)O)sc2c1I Amb27475116 [0,2,0,0,0,0|1,0,0]=3 5050 B15R2.7254 Cc1ccc2cc(C(=O)O)sc2c1O Amb26027470 [0,2,0,0,0,0|1,0,0]=3 5051 B15R2.7254 Cc1ccc2nc(C(=O)O)cn2c1Br Amb28183277 [0,2,0,0,0,0|1,0,1]=4 5052 B15R2.7254 Cc1ccc2oc(C(=O)O)cc2c1F Amb27763939 [0,2,0,0,0,0|1,0,0]=3 5053 B15R2.7254 Cc1ccc2oc(C(=O)O)cc2c1N Amb18670712 [0,2,0,0,0,0|1,0,0]=3 5054 B15R2.7254 Cc1ccc2sc(C(=O)O)cc2c1F Amb28056827 [0,2,0,0,0,0|1,0,0]=3 5055 B15R2.7254 Cc1ccc2sc(C(=O)O)cc2c1N Amb18670821 [0,2,0,0,0,0|1,0,0]=3 5056 B15R2.7254 Cc1ccc2sc(C(=O)O)cc2c1S Amb27252435 [0,2,0,0,0,0|1,0,0]=3 5057 B15R2.7254 Cc1ccc2sc(C(=O)O)nc2c1C Amb18138675 [0,2,0,0,0,0|1,0,1]=4 5058 B15R2.7254 Cc1ccn2cc(C(=O)O)nc2c1C Amb28458500 [0,2,0,0,0,0|1,0,1]=4 5059 B15R2.7254 Cc1ccn2cc(C(=O)O)nc2c1C Amb35788379 [0,2,0,0,0,0|1,0,1]=4 5060 B15R2.7254 Nc1c(Br)ccc2sc(C(=O)O)cc12 Amb18670825 [0,2,0,0,0,0|1,0,0]=3 5061 B15R2.7254 Nc1c(Cl)ccc2oc(C(=O)O)cc12 Amb18670715 [0,2,0,0,0,0|1,0,0]=3 5062 B15R2.7254 Nc1c(Cl)ccc2sc(C(=O)O)cc12 Amb18670824 [0,2,0,0,0,0|1,0,0]=3 5063 B15R2.7254 Nc1c(F)ccc2sc(C(=O)O)cc12 Amb18670823 [0,2,0,0,0,0|1,0,0]=3 5064 B15R2.7254 Nc1c(I)ccc2cc(C(=O)O)sc12 Amb27258285 [0,2,0,0,0,0|1,0,0]=3 5065 B15R2.7254 Nc1c(O)ccc2sc(C(=O)O)cc12 Amb27458980 [0,2,0,0,0,0|1,0,0]=3 5066 B15R2.7254 Nc1ccc2cc(C(=O)O)sc2c1Br Amb27961685 [0,2,0,0,0,0|1,0,0]=3 5067 B15R2.7254 Nc1ccc2cc(C(=O)O)sc2c1O Amb27216133 [0,2,0,0,0,0|1,0,0]=3 5068 B15R2.7254 Nc1ccc2oc(C(=O)O)cc2c1Cl Amb18670707 [0,2,0,0,0,0|1,0,0]=3 5069 B15R2.7254 Nc1ccc2oc(C(=O)O)cc2c1F Amb18670705 [0,2,0,0,0,0|1,0,0]=3 5070 B15R2.7254 Nc1ccc2sc(C(=O)O)cc2c1Br Amb18670818 [0,2,0,0,0,0|1,0,0]=3 5071 B15R2.7254 Nc1ccc2sc(C(=O)O)cc2c1Cl Amb18670816 [0,2,0,0,0,0|1,0,0]=3 5072 B15R2.7254 Nc1ccc2sc(C(=O)O)cc2c1F Amb18670814 [0,2,0,0,0,0|1,0,0]=3 5073 B15R2.7254 O=C(O)C1Cc2c(ccc(F)c2F)N1 Amb25312555 [0,2,0,0,0,0|0,0,2]=4 5074 B15R2.7254 O=C(O)c1cc2c(Br)c(Cl)ccc2s1 Amb27192691 [0,2,0,0,0,0|1,0,0]=3 5075 B15R2.7254 O=C(O)c1cc2c(Br)c(O)ccc2o1 Amb13881932 [0,2,0,0,0,0|1,0,0]=3 5076 B15R2.7254 O=C(O)c1cc2c(Cl)c(Cl)ccc2o1 Amb33166871 [0,2,0,0,0,0|1,0,0]=3 5077 B15R2.7254 O=C(O)c1cc2c(Cl)c(O)ccc2s1 Amb18755887 [0,2,0,0,0,0|1,0,0]=3 5078 B15R2.7254 O=C(O)c1cc2c(F)c(Cl)ccc2o1 Amb33166872 [0,2,0,0,0,0|1,0,0]=3 5079 B15R2.7254 O=C(O)c1cc2c(F)c(F)ccc2o1 Amb25084202 [0,2,0,0,0,0|1,0,0]=3 5080 B15R2.7254 O=C(O)c1cc2c(F)c(F)ccc2s1 Amb28401635 [0,2,0,0,0,0|1,0,0]=3 5081 B15R2.7254 O=C(O)c1cc2c(F)c(I)ccc2s1 Amb27849397 [0,2,0,0,0,0|1,0,0]=3 5082 B15R2.7254 O=C(O)c1cc2c(I)c(F)ccc2s1 Amb27446146 [0,2,0,0,0,0|1,0,0]=3 5083 B15R2.7254 O=C(O)c1cc2c(I)c(O)ccc2s1 Amb27467981 [0,2,0,0,0,0|1,0,0]=3 5084 B15R2.7254 O=C(O)c1cc2c(O)c(Cl)ccc2o1 Amb28384852 [0,2,0,0,0,0|1,0,0]=3 5085 B15R2.7254 O=C(O)c1cc2c(S)c(Cl)ccc2s1 Amb28131717 [0,2,0,0,0,0|1,0,0]=3 5086 B15R2.7254 O=C(O)c1cc2c(S)c(F)ccc2s1 Amb27475057 [0,2,0,0,0,0|1,0,0]=3 5087 B15R2.7254 O=C(O)c1cc2ccc(Br)c(F)c2s1 Amb26441377 [0,2,0,0,0,0|1,0,0]=3 5088 B15R2.7254 O=C(O)c1cc2ccc(Br)c(I)c2s1 Amb27460037 [0,2,0,0,0,0|1,0,0]=3 5089 B15R2.7254 O=C(O)c1cc2ccc(Cl)c(Br)c2s1 Amb27192850 [0,2,0,0,0,0|1,0,0]=3 5090 B15R2.7254 O=C(O)c1cc2ccc(Cl)c(F)c2o1 Amb33166870 [0,2,0,0,0,0|1,0,0]=3 5091 B15R2.7254 O=C(O)c1cc2ccc(F)c(F)c2o1 Amb27613153 [0,2,0,0,0,0|1,0,0]=3 5092 B15R2.7254 O=C(O)c1cc2ccc(F)c(F)c2s1 Amb27408084 [0,2,0,0,0,0|1,0,0]=3 5093 B15R2.7254 O=C(O)c1cc2ccc(F)c(O)c2o1 Amb27209725 [0,2,0,0,0,0|1,0,0]=3 5094 B15R2.7254 O=C(O)c1cc2ccc(I)c(Br)c2s1 Amb27459004 [0,2,0,0,0,0|1,0,0]=3 5095 B15R2.7254 O=C(O)c1cc2ccc(I)c(F)c2s1 Amb27961775 [0,2,0,0,0,0|1,0,0]=3 5096 B15R2.7254 O=C(O)c1cc2ccc(O)c(Br)c2s1 Amb27797726 [0,2,0,0,0,0|1,0,0]=3 5097 B15R2.7254 O=C(O)c1cc2ccc(S)c(Br)c2s1 Amb27439463 [0,2,0,0,0,0|1,0,0]=3 5098 B15R2.7254 O=C(O)c1cc2ccc(S)c(O)c2s1 Amb27790035 [0,2,0,0,0,0|1,0,0]=3 5099 B15R2.7254 O=C(O)c1cn2c(Br)c(F)ccc2n1 Amb27213684 [0,2,0,0,0,0|1,0,1]=4 5100 B15R2.7254 O=C(O)c1cn2ccc(Cl)c(I)c2n1 Amb21926739 [0,2,0,0,0,0|1,0,1]=4 5101 B15R2.7254 O=C(O)c1nc2c(Cl)c(Cl)ccc2s1 Amb28123650 [0,2,0,0,0,0|1,0,1]=4 5102 B15R2.7254 O=C(O)c1nc2c(F)c(Cl)ccc2s1 Amb28323196 [0,2,0,0,0,0|1,0,1]=4 5103 B15R2.7254 O=C(O)c1nc2ccc(Cl)c(Cl)c2s1 Amb27181929 [0,2,0,0,0,0|1,0,1]=4 5104 B15R2.15633 CC(=O)c1cc2c(C)cc(C)cc2o1 Amb9834196 [0,2,0,0,0,0|2,0,0]=4 5105 B15R2.15633 CC(=O)c1cc2c(F)cc(F)cc2o1 Amb27747023 [0,2,0,0,0,0|2,0,0]=4 5106 B15R2.15633 CC(=O)c1cc2c(O)cc(Cl)cc2o1 Amb27613164 [0,2,0,0,0,0|2,0,0]=4 5107 B15R2.15633 CC(=O)c1cc2c(O)cc(O)cc2o1 Amb27209041 [0,2,0,0,0,0|2,0,0]=4 5108 B15R2.15633 CC(=O)c1cc2cc(Br)cc(Br)c2o1 Amb2441203 [0,2,0,0,0,0|2,0,0]=4 5109 B15R2.15633 CC(=O)c1cc2cc(Br)cc(F)c2o1 Amb27402614 [0,2,0,0,0,0|2,0,0]=4 5110 B15R2.15633 CC(=O)c1cc2cc(C)cc(C)c2o1 Amb9834188 [0,2,0,0,0,0|2,0,0]=4 5111 B15R2.15633 CC(=O)c1cc2cc(C)cc(Cl)c2o1 Amb28119212 [0,2,0,0,0,0|2,0,0]=4 5112 B15R2.15633 CC(=O)c1cc2cc(Cl)cc(Cl)c2o1 Amb2736912 [0,2,0,0,0,0|2,0,0]=4 5113 B15R2.15633 CC(=O)c1cc2cc(F)cc(Cl)c2o1 Amb27595754 [0,2,0,0,0,0|2,0,0]=4 5114 B15R2.15633 CC(=O)c1cc2cc(F)cc(F)c2o1 Amb18189101 [0,2,0,0,0,0|2,0,0]=4 5115 B15R2.15633 CC(=O)c1cc2cc(F)cc(N)c2o1 Amb27864556 [0,2,0,0,0,0|2,0,0]=4 5116 B15R2.15633 CC1=CC(=O)N2C=C(C(=O)O)NC2=N1 Amb18190448 [0,2,0,0,0,0|2,0,0]=4 5117 B15R2.15633 CC1=CC(=O)Nc2oc(C(=O)O)cc21 Amb28118830 [0,2,0,0,0,0|2,0,0]=4 5118 B15R2.15633 CC1=CC(C)=N2C=C(C(=O)O)NC2=N1 Amb31128501 [0,2,0,0,0,0|2,0,0]=4 5119 B15R2.15633 CC1=CC(O)=N2C=C(C(=O)O)NC2=N1 Amb31128497 [0,2,0,0,0,0|2,0,0]=4 5120 B15R2.15633 CC1=Cc2oc(C(=O)O)cc2C(=O)O1 Amb18815608 [0,2,0,0,0,0|2,0,0]=4 5121 B15R2.15633 CC1=Cc2sc(C(=O)O)cc2C(=O)O1 Amb18774459 [0,2,0,0,0,0|2,0,0]=4 5122 B15R2.15633 Cc1cc(Br)c2nc(C(=O)O)cn2c1 Amb17212405 [0,2,0,0,0,0|1,0,1]=4 5123 B15R2.15633 Cc1cc(Br)c2oc(C(=O)O)cc2c1 Amb13881927 [0,2,0,0,0,0|1,0,0]=3 5124 B15R2.15633 Cc1cc(Br)cc2cc(C(=O)O)oc12 Amb22059221 [0,2,0,0,0,0|1,0,0]=3 5125 B15R2.15633 Cc1cc(Br)cn2cc(C(=O)O)nc12 Amb2436483 [0,2,0,0,0,0|1,0,1]=4 5126 B15R2.15633 Cc1cc(Br)n2cc(C(=O)O)nc2c1 Amb22736393 [0,2,0,0,0,0|1,0,1]=4 5127 B15R2.15633 Cc1cc(C)c2c(c1)CC(C(=O)O)N2 Amb32670504 [0,2,0,0,0,0|0,0,2]=4 5128 B15R2.15633 Cc1cc(C)c2c(c1)NC(C(=O)O)C2 Amb32670501 [0,2,0,0,0,0|0,0,2]=4 5129 B15R2.15633 Cc1cc(C)c2cc(C(=O)O)cn2c1 Amb25049530 [0,2,0,0,0,0|2,0,0]=4 5130 B15R2.15633 Cc1cc(C)c2cc(C(=O)O)oc2c1 Amb13881923 [0,2,0,0,0,0|1,0,0]=3 5131 B15R2.15633 Cc1cc(C)c2cc(C(=O)O)oc2n1 Amb18147992 [0,2,0,0,0,0|2,0,0]=4 5132 B15R2.15633 Cc1cc(C)c2cc(C(=O)O)sc2c1 Amb5328934 [0,2,0,0,0,0|1,0,0]=3 5133 B15R2.15633 Cc1cc(C)c2cc(C(=O)O)sc2n1 Amb1107532 [0,2,0,0,0,0|2,0,0]=4 5134 B15R2.15633 Cc1cc(C)c2cc(C(N)=O)oc2c1 Amb27232805 [0,2,0,0,0,0|2,0,0]=4 5135 B15R2.15633 Cc1cc(C)c2nc(C(=O)O)cn2c1 Amb27774860 [0,2,0,0,0,0|1,0,1]=4 5136 B15R2.15633 Cc1cc(C)c2nc(C(=O)O)sc2c1 Amb18138684 [0,2,0,0,0,0|1,0,1]=4 5137 B15R2.15633 Cc1cc(C)c2oc(C(=O)O)cc2c1 Amb13881924 [0,2,0,0,0,0|1,0,0]=3 5138 B15R2.15633 Cc1cc(C)c2oc(C(=O)O)nc2c1 Amb32691491 [0,2,0,0,0,0|1,0,1]=4 5139 B15R2.15633 Cc1cc(Cl)c2cc(C(=O)O)oc2c1 Amb33166874 [0,2,0,0,0,0|1,0,0]=3 5140 B15R2.15633 Cc1cc(Cl)c2nc(C(=O)O)cn2c1 Amb22043927 [0,2,0,0,0,0|1,0,1]=4 5141 B15R2.15633 Cc1cc(Cl)c2nc(C(=O)O)sc2c1 Amb18138629 [0,2,0,0,0,0|1,0,1]=4 5142 B15R2.15633 Cc1cc(Cl)cc2cc(C(=O)O)oc12 Amb26503657 [0,2,0,0,0,0|1,0,0]=3 5143 B15R2.15633 Cc1cc(Cl)cc2nc(C(=O)O)cn12 Amb27257304 [0,2,0,0,0,0|1,0,1]=4 5144 B15R2.15633 Cc1cc(Cl)cc2sc(C(=O)O)cc12 Amb27639075 [0,2,0,0,0,0|1,0,0]=3 5145 B15R2.15633 Cc1cc(F)cc2c1CC(C(=O)O)N2 Amb32670507 [0,2,0,0,0,0|0,0,2]=4 5146 B15R2.15633 Cc1cc(F)cc2cc(C(=O)O)oc12 Amb27849074 [0,2,0,0,0,0|1,0,0]=3 5147 B15R2.15633 Cc1cc(F)cc2cc(C(=O)O)sc12 Amb27621922 [0,2,0,0,0,0|1,0,0]=3 5148 B15R2.15633 Cc1cc(F)cc2oc(C(=O)O)cc12 Amb27163014 [0,2,0,0,0,0|1,0,0]=3 5149 B15R2.15633 Cc1cc(I)c2nc(C(=O)O)cn2c1 Amb22057833 [0,2,0,0,0,0|1,0,1]=4 5150 B15R2.15633 Cc1cc(I)cc2cc(C(=O)O)sc12 Amb27252527 [0,2,0,0,0,0|1,0,0]=3 5151 B15R2.15633 Cc1cc(I)cc2sc(C(=O)O)cc12 Amb27205355 [0,2,0,0,0,0|1,0,0]=3 5152 B15R2.15633 Cc1cc(I)cn2cc(C(=O)O)nc12 Amb22736247 [0,2,0,0,0,0|1,0,1]=4 5153 B15R2.15633 Cc1cc(N)c2cc(C(=O)O)sc2c1 Amb27439734 [0,2,0,0,0,0|1,0,0]=3 5154 B15R2.15633 Cc1cc2oc(C(=O)O)cc2c(C)n1 Amb18818982 [0,2,0,0,0,0|2,0,0]=4 5155 B15R2.15633 Nc1cc(Br)cc2cc(C(=O)O)oc12 Amb28118542 [0,2,0,0,0,0|1,0,0]=3 5156 B15R2.15633 Nc1cc(Br)cc2sc(C(=O)O)cc12 Amb27961522 [0,2,0,0,0,0|1,0,0]=3 5157 B15R2.15633 Nc1cc(Br)cn2cc(C(=O)O)cc12 Amb28455812 [0,2,0,0,0,0|2,0,0]=4 5158 B15R2.15633 Nc1cc(Cl)c2cc(C(=O)O)sc2c1 Amb28287930 [0,2,0,0,0,0|1,0,0]=3 5159 B15R2.15633 Nc1cc(Cl)c2nc(C(=O)O)cn2c1 Amb27796722 [0,2,0,0,0,0|1,0,1]=4 5160 B15R2.15633 Nc1cc(Cl)cc2cc(C(=O)O)oc12 Amb27494624 [0,2,0,0,0,0|1,0,0]=3 5161 B15R2.15633 Nc1cc(Cl)cc2sc(C(=O)O)cc12 Amb28202800 [0,2,0,0,0,0|1,0,0]=3 5162 B15R2.15633 Nc1cc(F)cc2cc(C(=O)O)sc12 Amb27963982 [0,2,0,0,0,0|1,0,0]=3 5163 B15R2.15633 Nc1cc(F)cc2sc(C(=O)O)cc12 Amb27458967 [0,2,0,0,0,0|1,0,0]=3 5164 B15R2.15633 Nc1cc(I)c2cc(C(=O)O)sc2c1 Amb27801133 [0,2,0,0,0,0|1,0,0]=3 5165 B15R2.15633 Nc1cc(I)c2sc(C(=O)O)cc2c1 Amb27439674 [0,2,0,0,0,0|1,0,0]=3 5166 B15R2.15633 Nc1cc(I)cc2cc(C(=O)O)sc12 Amb27880969 [0,2,0,0,0,0|1,0,0]=3 5167 B15R2.15633 Nc1cc(I)cc2sc(C(=O)O)cc12 Amb27253240 [0,2,0,0,0,0|1,0,0]=3 5168 B15R2.15633 Nc1cc(N)c2sc(C(=O)O)cc2c1 Amb27463687 [0,2,0,0,0,0|1,0,0]=3 5169 B15R2.15633 O=C(O)C1Cc2c(Cl)cc(F)cc2N1 Amb26583253 [0,2,0,0,0,0|0,0,2]=4 5170 B15R2.15633 O=C(O)C1Cc2c(F)cc(F)cc2N1 Amb26915074 [0,2,0,0,0,0|0,0,2]=4 5171 B15R2.15633 O=C(O)C1Cc2cc(F)cc(F)c2N1 Amb32670506 [0,2,0,0,0,0|0,0,2]=4 5172 B15R2.15633 O=C(O)c1cc2c(Br)cc(Cl)cc2s1 Amb27192692 [0,2,0,0,0,0|1,0,0]=3 5173 B15R2.15633 O=C(O)c1cc2c(Br)cc(F)cc2s1 Amb24075948 [0,2,0,0,0,0|1,0,0]=3 5174 B15R2.15633 O=C(O)c1cc2c(Br)cc(O)cc2s1 Amb27438956 [0,2,0,0,0,0|1,0,0]=3 5175 B15R2.15633 O=C(O)c1cc2c(Cl)cc(Br)cc2s1 Amb28428762 [0,2,0,0,0,0|1,0,0]=3 5176 B15R2.15633 O=C(O)c1cc2c(F)cc(Br)cc2s1 Amb5328966 [0,2,0,0,0,0|1,0,0]=3 5177 B15R2.15633 O=C(O)c1cc2c(F)cc(F)cc2s1 Amb5329010 [0,2,0,0,0,0|1,0,0]=3 5178 B15R2.15633 O=C(O)c1cc2c(I)cc(Br)cc2s1 Amb27230984 [0,2,0,0,0,0|1,0,0]=3 5179 B15R2.15633 O=C(O)c1cc2c(I)cc(I)cc2s1 Amb27446099 [0,2,0,0,0,0|1,0,0]=3 5180 B15R2.15633 O=C(O)c1cc2c(I)cc(S)cc2s1 Amb28057874 [0,2,0,0,0,0|1,0,0]=3 5181 B15R2.15633 O=C(O)c1cc2c(O)cc(Br)cc2s1 Amb27849496 [0,2,0,0,0,0|1,0,0]=3 5182 B15R2.15633 O=C(O)c1cc2c(O)cc(F)cc2s1 Amb27475015 [0,2,0,0,0,0|1,0,0]=3 5183 B15R2.15633 O=C(O)c1cc2c(O)cc(O)cc2s1 Amb28290820 [0,2,0,0,0,0|1,0,0]=3 5184 B15R2.15633 O=C(O)c1cc2c(O)cc(S)cc2s1 Amb28248183 [0,2,0,0,0,0|1,0,0]=3 5185 B15R2.15633 O=C(O)c1cc2c(S)cc(Cl)cc2s1 Amb27210329 [0,2,0,0,0,0|1,0,0]=3 5186 B15R2.15633 O=C(O)c1cc2cc(Br)cc(Br)c2o1 Amb1106546 [0,2,0,0,0,0|1,0,0]=3 5187 B15R2.15633 O=C(O)c1cc2cc(Br)cc(F)c2o1 Amb27146242 [0,2,0,0,0,0|1,0,0]=3 5188 B15R2.15633 O=C(O)c1cc2cc(Br)cc(F)c2s1 Amb27851890 [0,2,0,0,0,0|1,0,0]=3 5189 B15R2.15633 O=C(O)c1cc2cc(Br)cc(I)c2o1 Amb2660163 [0,2,0,0,0,0|1,0,0]=3 5190 B15R2.15633 O=C(O)c1cc2cc(Br)cc(O)c2s1 Amb27846339 [0,2,0,0,0,0|1,0,0]=3 5191 B15R2.15633 O=C(O)c1cc2cc(Br)cc(S)c2s1 Amb27633022 [0,2,0,0,0,0|1,0,0]=3 5192 B15R2.15633 O=C(O)c1cc2cc(Cl)cc(Br)c2o1 Amb1878413 [0,2,0,0,0,0|1,0,0]=3 5193 B15R2.15633 O=C(O)c1cc2cc(Cl)cc(Br)c2s1 Amb27192849 [0,2,0,0,0,0|1,0,0]=3 5194 B15R2.15633 O=C(O)c1cc2cc(Cl)cc(Cl)c2o1 Amb2776972 [0,2,0,0,0,0|1,0,0]=3 5195 B15R2.15633 O=C(O)c1cc2cc(Cl)cc(F)c2o1 Amb27847258 [0,2,0,0,0,0|1,0,0]=3 5196 B15R2.15633 O=C(O)c1cc2cc(Cl)cc(F)c2s1 Amb28059767 [0,2,0,0,0,0|1,0,0]=3 5197 B15R2.15633 O=C(O)c1cc2cc(F)cc(Br)c2o1 Amb13881931 [0,2,0,0,0,0|1,0,0]=3 5198 B15R2.15633 O=C(O)c1cc2cc(F)cc(F)c2o1 Amb18280044 [0,2,0,0,0,0|1,0,0]=3 5199 B15R2.15633 O=C(O)c1cc2cc(F)cc(F)c2s1 Amb22371000 [0,2,0,0,0,0|1,0,0]=3 5200 B15R2.15633 O=C(O)c1cc2cc(F)cc(I)c2s1 Amb28401623 [0,2,0,0,0,0|1,0,0]=3 5201 B15R2.15633 O=C(O)c1cc2cc(F)cc(S)c2s1 Amb27195989 [0,2,0,0,0,0|1,0,0]=3 5202 B15R2.15633 O=C(O)c1cc2cc(I)cc(Br)c2o1 Amb1774736 [0,2,0,0,0,0|1,0,0]=3 5203 B15R2.15633 O=C(O)c1cc2cc(I)cc(Br)c2s1 Amb27474984 [0,2,0,0,0,0|1,0,0]=3 5204 B15R2.15633 O=C(O)c1cc2cc(I)cc(O)c2s1 Amb27881909 [0,2,0,0,0,0|1,0,0]=3 5205 B15R2.15633 O=C(O)c1cc2cc(I)cc(S)c2s1 Amb28248225 [0,2,0,0,0,0|1,0,0]=3 5206 B15R2.15633 O=C(O)c1cc2cc(O)cc(Br)c2s1 Amb27782741 [0,2,0,0,0,0|1,0,0]=3 5207 B15R2.15633 O=C(O)c1cc2cc(O)cc(Cl)c2s1 Amb27668054 [0,2,0,0,0,0|1,0,0]=3 5208 B15R2.15633 O=C(O)c1cc2cc(S)cc(Br)c2s1 Amb27460354 [0,2,0,0,0,0|1,0,0]=3 5209 B15R2.15633 O=C(O)c1cc2cc(S)cc(I)c2s1 Amb27468002 [0,2,0,0,0,0|1,0,0]=3 5210 B15R2.15633 O=C(O)c1cc2cc(S)cc(O)c2s1 Amb27202882 [0,2,0,0,0,0|1,0,0]=3 5211 B15R2.15633 O=C(O)c1cn2cc(Br)cc(Br)c2n1 Amb3939928 [0,2,0,0,0,0|1,0,1]=4 5212 B15R2.15633 O=C(O)c1cn2cc(Br)cc(F)c2n1 Amb22496171 [0,2,0,0,0,0|1,0,1]=4 5213 B15R2.15633 O=C(O)c1cn2cc(Cl)cc(Br)c2n1 Amb10069972 [0,2,0,0,0,0|1,0,1]=4 5214 B15R2.15633 O=C(O)c1cn2cc(Cl)cc(Cl)c2n1 Amb3939929 [0,2,0,0,0,0|1,0,1]=4 5215 B15R2.15633 O=C(O)c1cn2cc(F)cc(Br)c2n1 Amb22057905 [0,2,0,0,0,0|1,0,1]=4 5216 B15R2.15633 O=C(O)c1cn2cc(F)cc(I)c2n1 Amb27804064 [0,2,0,0,0,0|1,0,1]=4 5217 B15R2.15633 O=C(O)c1nc2c(Br)cc(F)cc2s1 Amb27172404 [0,2,0,0,0,0|1,0,1]=4 5218 B15R2.15633 O=C(O)c1nc2c(Cl)cc(Cl)cc2s1 Amb18138634 [0,2,0,0,0,0|1,0,1]=4 5219 B15R2.15633 O=C(O)c1nc2c(Cl)cc(F)cc2s1 Amb27750404 [0,2,0,0,0,0|1,0,1]=4 5220 B15R2.14566 CC(=O)c1cc2c(C)ccc(Br)c2o1 Amb35663111 [0,2,0,0,0,0|2,0,0]=4 5221 B15R2.14566 CC(=O)c1cc2c(C)ccc(C)c2o1 Amb9834189 [0,2,0,0,0,0|2,0,0]=4 5222 B15R2.14566 CC(=O)c1cc2c(Cl)ccc(C)c2o1 Amb27482397 [0,2,0,0,0,0|2,0,0]=4 5223 B15R2.14566 CC(=O)c1cc2c(Cl)ccc(N)c2o1 Amb18670681 [0,2,0,0,0,0|2,0,0]=4 5224 B15R2.14566 CC(=O)c1cc2c(F)ccc(N)c2o1 Amb18670679 [0,2,0,0,0,0|2,0,0]=4 5225 B15R2.14566 CC(=O)c1cc2c(N)ccc(C)c2o1 Amb18670674 [0,2,0,0,0,0|2,0,0]=4 5226 B15R2.14566 CC(=O)c1cc2c(N)ccc(C)c2s1 Amb18670776 [0,2,0,0,0,0|2,0,0]=4 5227 B15R2.14566 CC(=O)c1cc2c(N)ccc(Cl)c2o1 Amb18138331 [0,2,0,0,0,0|2,0,0]=4 5228 B15R2.14566 CC(=O)c1cc2c(N)ccc(Cl)c2s1 Amb18670778 [0,2,0,0,0,0|2,0,0]=4 5229 B15R2.14566 CC(=O)c1cc2c(N)ccc(F)c2o1 Amb18670676 [0,2,0,0,0,0|2,0,0]=4 5230 B15R2.14566 CN1C=CC(=O)c2sc(C(=O)O)cc21 Amb18776029 [0,2,0,0,0,0|2,0,0]=4 5231 B15R2.14566 Cc1ccc(Br)c2cc(C(=O)O)sc12 Amb27849342 [0,2,0,0,0,0|1,0,0]=3 5232 B15R2.14566 Cc1ccc(Br)c2oc(C(=O)O)cc12 Amb27247458 [0,2,0,0,0,0|1,0,0]=3 5233 B15R2.14566 Cc1ccc(C)c2c1CC(C(=O)O)N2 Amb32670502 [0,2,0,0,0,0|0,0,2]=4 5234 B15R2.14566 Cc1ccc(C)c2oc(C(=O)O)cc12 Amb18650382 [0,2,0,0,0,0|1,0,0]=3 5235 B15R2.14566 Cc1ccc(C)n2cc(C(=O)O)nc12 Amb27444074 [0,2,0,0,0,0|1,0,1]=4 5236 B15R2.14566 Cc1ccc(Cl)c2cc(C(=O)O)sc12 Amb27848698 [0,2,0,0,0,0|1,0,0]=3 5237 B15R2.14566 Cc1ccc(Cl)c2sc(C(=O)O)cc12 Amb27962020 [0,2,0,0,0,0|1,0,0]=3 5238 B15R2.14566 Cc1ccc(F)c2c1NC(C(=O)O)C2 Amb32670509 [0,2,0,0,0,0|0,0,2]=4 5239 B15R2.14566 Cc1ccc(F)c2oc(C(=O)O)cc12 Amb26523496 [0,2,0,0,0,0|1,0,0]=3 5240 B15R2.14566 Cc1ccc(N)c2cc(C(=O)O)oc12 Amb18670695 [0,2,0,0,0,0|1,0,0]=3 5241 B15R2.14566 Cc1ccc(N)c2sc(C(=O)O)cc12 Amb27779395 [0,2,0,0,0,0|1,0,0]=3 5242 B15R2.14566 Nc1ccc(Br)c2sc(C(=O)O)cc12 Amb18138386 [0,2,0,0,0,0|1,0,0]=3 5243 B15R2.14566 Nc1ccc(Cl)c2sc(C(=O)O)cc12 Amb18670810 [0,2,0,0,0,0|1,0,0]=3 5244 B15R2.14566 Nc1ccc(F)c2sc(C(=O)O)cc12 Amb18670809 [0,2,0,0,0,0|1,0,0]=3 5245 B15R2.14566 Nc1ccc(I)c2sc(C(=O)O)cc12 Amb27870102 [0,2,0,0,0,0|1,0,0]=3 5246 B15R2.14566 O=C(O)C1Cc2c(F)ccc(F)c2N1 Amb28368691 [0,2,0,0,0,0|0,0,2]=4 5247 B15R2.14566 O=C(O)C1Cc2c(O)ccc(F)c2N1 Amb27965872 [0,2,0,0,0,0|0,0,2]=4 5248 B15R2.14566 O=C(O)c1cc2c(Br)ccc(F)c2s1 Amb25290560 [0,2,0,0,0,0|1,0,0]=3 5249 B15R2.14566 O=C(O)c1cc2c(Br)ccc(O)c2s1 Amb27846334 [0,2,0,0,0,0|1,0,0]=3 5250 B15R2.14566 O=C(O)c1cc2c(Cl)ccc(Br)c2s1 Amb27192848 [0,2,0,0,0,0|1,0,0]=3 5251 B15R2.14566 O=C(O)c1cc2c(Cl)ccc(Cl)c2o1 Amb33166867 [0,2,0,0,0,0|1,0,0]=3 5252 B15R2.14566 O=C(O)c1cc2c(Cl)ccc(Cl)c2s1 Amb5328944 [0,2,0,0,0,0|1,0,0]=3 5253 B15R2.14566 O=C(O)c1cc2c(Cl)ccc(I)c2s1 Amb28134766 [0,2,0,0,0,0|1,0,0]=3 5254 B15R2.14566 O=C(O)c1cc2c(F)ccc(Br)c2s1 Amb28428829 [0,2,0,0,0,0|1,0,0]=3 5255 B15R2.14566 O=C(O)c1cc2c(F)ccc(Cl)c2o1 Amb27879128 [0,2,0,0,0,0|1,0,0]=3 5256 B15R2.14566 O=C(O)c1cc2c(F)ccc(F)c2s1 Amb28133534 [0,2,0,0,0,0|1,0,0]=3 5257 B15R2.14566 O=C(O)c1cc2c(F)ccc(I)c2s1 Amb27961610 [0,2,0,0,0,0|1,0,0]=3 5258 B15R2.14566 O=C(O)c1cc2c(F)ccc(S)c2s1 Amb27440608 [0,2,0,0,0,0|1,0,0]=3 5259 B15R2.14566 O=C(O)c1cc2c(I)ccc(Br)c2s1 Amb27460380 [0,2,0,0,0,0|1,0,0]=3 5260 B15R2.14566 O=C(O)c1cc2c(I)ccc(Cl)c2s1 Amb27204603 [0,2,0,0,0,0|1,0,0]=3 5261 B15R2.14566 O=C(O)c1cc2c(I)ccc(F)c2s1 Amb28133527 [0,2,0,0,0,0|1,0,0]=3 5262 B15R2.14566 O=C(O)c1cc2c(I)ccc(I)c2s1 Amb27848790 [0,2,0,0,0,0|1,0,0]=3 5263 B15R2.14566 O=C(O)c1cc2c(O)ccc(Cl)c2s1 Amb27264964 [0,2,0,0,0,0|1,0,0]=3 5264 B15R2.14566 O=C(O)c1cc2c(O)ccc(I)c2s1 Amb28057846 [0,2,0,0,0,0|1,0,0]=3 5265 B15R2.14566 O=C(O)c1cc2c(O)ccc(O)c2s1 Amb27616297 [0,2,0,0,0,0|1,0,0]=3 5266 B15R2.14566 O=C(O)c1cc2c(O)ccc(S)c2s1 Amb27618589 [0,2,0,0,0,0|1,0,0]=3 5267 B15R2.14566 O=C(O)c1cc2c(S)ccc(O)c2s1 Amb27205265 [0,2,0,0,0,0|1,0,0]=3 5268 B15R2.14566 O=C(O)c1nc2c(F)ccc(F)c2s1 Amb27397592 [0,2,0,0,0,0|1,0,1]=4 5269 B15R2.20824 C=Cc1cccc2c1NC(C(=O)O)C2 Amb28434608 [0,2,0,0,0,0|0,0,2]=4 5270 B15R2.20824 C=Cc1cccc2c1N[C@@H](C(=O)O)C2 Amb28130962 [0,2,0,0,0,0|0,0,2]=4 5271 B15R2.20824 C=Cc1cncc2cc(C(=O)O)sc12 Amb33166622 [0,2,0,0,0,0|2,0,0]=4 5272 B15R2.20824 CCc1cccc2c1C[C@@H](C(=O)O)N2 Amb28250754 [0,2,0,0,0,0|0,0,2]=4 5273 B15R2.20824 CCc1cccc2c1NC(C(=O)O)C2 Amb27646350 [0,2,0,0,0,0|0,0,2]=4 5274 B15R2.20824 CCc1cccc2cc(C(=O)O)oc12 Amb25901164 [0,2,0,0,0,0|1,0,0]=3 5275 B15R2.20824 CCc1cccc2nc(C(=O)O)cn12 Amb27955816 [0,2,0,0,0,0|1,0,1]=4 5276 B15R2.20824 CCc1cccc2nc(C(=O)O)oc12 Amb26424014 [0,2,0,0,0,0|1,0,1]=4 5277 B15R2.20824 CCc1cccc2oc(C(=O)O)nc12 Amb27192443 [0,2,0,0,0,0|1,0,1]=4 5278 B15R2.20824 CCc1cccc2sc(C(=O)O)nc12 Amb18671244 [0,2,0,0,0,0|1,0,1]=4 5279 B15R2.20824 CCc1cccn2cc(C(=O)O)nc12 Amb24095594 [0,2,0,0,0,0|1,0,1]=4 5280 B15R2.20824 CCc1cncc2cc(C(=O)O)sc12 Amb33166612 [0,2,0,0,0,0|2,0,0]=4 5281 B15R2.20824 COc1cccc2c1CC(C(=O)O)N2 Amb24652664 [0,2,0,0,0,0|0,0,2]=4 5282 B15R2.20824 COc1cccc2c1CC(C(=O)O)N2 Amb32680422 [0,2,0,0,0,0|0,0,2]=4 5283 B15R2.20824 COc1cccc2c1NC(C(=O)O)C2 Amb27659389 [0,2,0,0,0,0|0,0,2]=4 5284 B15R2.20824 COc1cccc2cc(C(=O)Cl)oc12 Amb13783503 [0,2,0,0,0,0|2,0,0]=4 5285 B15R2.20824 COc1cccc2cc(C(=O)O)oc12 Amb6356923 [0,2,0,0,0,0|1,0,0]=3 5286 B15R2.20824 COc1cccc2cc(C(=O)O)sc12 Amb4056873 [0,2,0,0,0,0|1,0,0]=3 5287 B15R2.20824 COc1cccc2cc(C(=O)[O-])oc12 Amb33513256 [0,2,0,0,0,0|1,0,1]=4 5288 B15R2.20824 COc1cccc2cc(C(C)=O)oc12 Amb1211902 [0,2,0,0,0,0|2,0,0]=4 5289 B15R2.20824 COc1cccc2cc(C(C)=O)sc12 Amb27670154 [0,2,0,0,0,0|2,0,0]=4 5290 B15R2.20824 COc1cccc2cc(C(N)=O)oc12 Amb2438302 [0,2,0,0,0,0|2,0,0]=4 5291 B15R2.20824 COc1cccc2nc(C(=O)O)cn12 Amb28428342 [0,2,0,0,0,0|1,0,1]=4 5292 B15R2.20824 COc1cccc2nc(C(=O)O)oc12 Amb27623714 [0,2,0,0,0,0|1,0,1]=4 5293 B15R2.20824 COc1cccc2nc(C(=O)O)sc12 Amb26868834 [0,2,0,0,0,0|1,0,1]=4 5294 B15R2.20824 COc1cccc2oc(C(=O)O)cc12 Amb4089822 [0,2,0,0,0,0|1,0,0]=3 5295 B15R2.20824 COc1cccc2oc(C(=O)O)nc12 Amb24732094 [0,2,0,0,0,0|1,0,1]=4 5296 B15R2.20824 COc1cccc2oc(C(C)=O)cc12 Amb18191035 [0,2,0,0,0,0|2,0,0]=4 5297 B15R2.20824 COc1cccc2sc(C(=O)O)cc12 Amb5328949 [0,2,0,0,0,0|1,0,0]=3 5298 B15R2.20824 COc1cccc2sc(C(=O)O)nc12 Amb18671235 [0,2,0,0,0,0|1,0,1]=4 5299 B15R2.20824 COc1cccn2cc(C(=O)O)nc12 Amb17206396 [0,2,0,0,0,0|1,0,1]=4 5300 B15R2.20824 COc1cccn2nc(C(=O)O)cc12 Amb27455710 [0,2,0,0,0,0|1,0,1]=4 5301 B15R2.20824 COc1nccc2cc(C(=O)O)sc12 Amb28344141 [0,2,0,0,0,0|2,0,0]=4 5302 B15R2.20824 CSc1cccc2c1C[C@H](C(=O)O)N2 Amb28190600 [0,2,0,0,0,0|0,0,2]=4 5303 B15R2.20824 CSc1cccc2c1NC(C(=O)O)C2 Amb27605775 [0,2,0,0,0,0|0,0,2]=4 5304 B15R2.20824 CSc1cccc2c1N[C@H](C(=O)O)C2 Amb27654055 [0,2,0,0,0,0|0,0,2]=4 5305 B15R2.20824 CSc1cccc2nc(C(=O)O)oc12 Amb28435486 [0,2,0,0,0,0|1,0,1]=4 5306 B15R2.20824 CSc1cccc2oc(C(=O)O)nc12 Amb27199509 [0,2,0,0,0,0|1,0,1]=4 5307 B15R2.20824 N#Cc1cccc2c1NC(C(=O)O)C2 Amb28290517 [0,2,0,0,0,0|0,0,2]=4 5308 B15R2.20824 N#Cc1cccc2nc(C(=O)O)oc12 Amb27655478 [0,2,0,0,0,0|1,0,1]=4 5309 B15R2.20824 N#Cc1cccc2oc(C(=O)O)nc12 Amb27438308 [0,2,0,0,0,0|1,0,1]=4 5310 B15R2.20824 N#Cc1cccc2sc(C(=O)O)cc12 Amb22756248 [0,2,0,0,0,0|1,0,0]=3 5311 B15R2.20824 NCc1cccc2nc(C(=O)O)oc12 Amb27209806 [0,2,0,0,0,0|1,0,1]=4 5312 B15R2.20824 NCc1cccc2oc(C(=O)O)nc12 Amb27851585 [0,2,0,0,0,0|1,0,1]=4 5313 B15R2.20824 NNc1nccc2oc(C(=O)O)cc12 Amb33039840 [0,2,0,0,0,0|2,0,0]=4 5314 B15R2.20824 O=C(O)[C@H]1Cc2cccc(CO)c2N1 Amb27227246 [0,2,0,0,0,0|0,0,2]=4 5315 B15R2.20824 O=C(O)c1cc2c(CO)cccc2s1 Amb27789594 [0,2,0,0,0,0|1,0,0]=3 5316 B15R2.20824 O=C(O)c1cn2cccc(CO)c2n1 Amb18114325 [0,2,0,0,0,0|1,0,1]=4 5317 B15R2.20824 O=C(O)c1nc2c(CBr)cccc2o1 Amb26906397 [0,2,0,0,0,0|1,0,1]=4 5318 B15R2.20824 O=C(O)c1nc2c(CCl)cccc2o1 Amb28323553 [0,2,0,0,0,0|1,0,1]=4 5319 B15R2.20824 O=C(O)c1nc2c(CO)cccc2o1 Amb27623409 [0,2,0,0,0,0|1,0,1]=4 5320 B15R2.20824 O=C(O)c1nc2cccc(CCl)c2o1 Amb27192259 [0,2,0,0,0,0|1,0,1]=4 5321 B15R2.20824 O=Cc1cccc2cc(C(=O)O)oc12 Amb27642774 [0,2,0,0,0,0|1,0,0]=3 5322 B15R2.20824 O=Cc1cccc2nc(C(=O)O)oc12 Amb27192444 [0,2,0,0,0,0|1,0,1]=4 5323 B15R2.20824 O=Cc1cccc2oc(C(=O)O)nc12 Amb26078394 [0,2,0,0,0,0|1,0,1]=4 5324 B15R2.20824 O=Cc1cccc2sc(C(=O)O)cc12 Amb25857447 [0,2,0,0,0,0|1,0,0]=3 5325 B15R2.20824 O=Cc1cncc2sc(C(=O)O)cc12 Amb33069108 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.148 C\C=C\C=C\C=C\C=C\C(=O)O Amb10069454 [0,0,2,0,0,0|1,0,0]=3 5327 B13R2.27 O=C1CC\C1=C/c2ccccc2 Amb25366584 [0,0,1,1,0,0|2,0,0]=4 5328 B13R2.27 O=C1CS\C1=C\c2ccccc2 Amb17594489 [0,0,1,1,0,0|2,0,0]=4 5329 B13R2.369 C=C1C=C2C=CC=CC2=CC1=O Amb27175861 [0,0,1,1,0,0|2,0,0]=4 5330 B13R2.369 C=C1Nc2ccccc2OC1=O Amb25996357 [0,0,1,1,0,0|0,0,0]=2 5331 B13R2.369 CC1=Cc2ccccc2NC1=O Amb19115338 [0,0,1,1,0,0|2,0,0]=4 5332 B13R2.369 CC1=Cc2ccccc2OC1=O Amb20247474 [0,0,1,1,0,0|1,0,0]=3 5333 B13R2.369 CC1=Nc2ccccc2OC1=O Amb27482974 [0,0,1,1,0,0|0,0,2]=4 5334 B13R2.369 CC1Nc2ccccc2OC1=O Amb17217247 [0,0,1,1,0,0|0,0,2]=4 5335 B13R2.369 Cc1cc2ccccc2cc1N Amb22751118 [0,0,1,1,0,0|2,0,0]=4 5336 B13R2.369 Cc1cc2ccccc2cc1O Amb22262990 [0,0,1,1,0,0|2,0,0]=4 5337 B13R2.369 Cc1nc2ccccc2cc1N Amb18062093 [0,0,1,1,0,0|2,0,0]=4 5338 B13R2.369 Cc1nc2ccccc2cc1N Amb20239532 [0,0,1,1,0,0|2,0,0]=4 5339 B13R2.369 N=C1Nc2ccccc2NC1=O Amb19804517 [0,0,1,1,0,0|2,0,0]=4 5340 B13R2.369 N=C1Nc2ccccc2OC1=O Amb20053203 [0,0,1,1,0,0|1,0,0]=3 5341 B13R2.369 NC1=Cc2ccccc2NC1=S Amb24373878 [0,0,1,1,0,0|1,1,0]=4 5342 B13R2.369 NC1=Cc2ccccc2OC1=O Amb18511494 [0,0,1,1,0,0|0,0,0]=2 5343 B13R2.369 NC1=Cc2cnccc2NC1=O Amb32418303 [0,0,1,1,0,0|2,0,0]=4 5344 B13R2.369 NC1Cc2ccccc2OC1=O Amb18645811 [0,0,1,1,0,0|0,0,2]=4 5345 B13R2.369 Nc1cc2ccccc2cc1Br Amb2610350 [0,0,1,1,0,0|2,0,0]=4 5346 B13R2.369 Nc1cc2ccccc2cc1Cl Amb18648080 [0,0,1,1,0,0|2,0,0]=4 5347 B13R2.369 Nc1cc2ccccc2cc1F Amb26978863 [0,0,1,1,0,0|2,0,0]=4 5348 B13R2.369 Nc1cc2ccccc2cc1I Amb21955955 [0,0,1,1,0,0|2,0,0]=4 5349 B13R2.369 Nc1cc2ccccc2cc1N Amb2710387 [0,0,1,1,0,0|2,0,0]=4 5350 B13R2.369 Nc1cc2ccccc2cc1O Amb2781576 [0,0,1,1,0,0|1,0,0]=3 5351 B13R2.369 Nc1cc2ccccc2nc1Br Amb22499505 [0,0,1,1,0,0|2,0,0]=4 5352 B13R2.369 Nc1cc2ccccc2nc1Cl Amb22263229 [0,0,1,1,0,0|2,0,0]=4 5353 B13R2.369 Nc1cc2ccccc2nc1O Amb18645300 [0,0,1,1,0,0|1,0,0]=3 5354 B13R2.369 Nc1cc2cccnc2cc1O Amb26586376 [0,0,1,1,0,0|2,0,0]=4 5355 B13R2.369 Nc1cc2cccnc2nc1O Amb13881382 [0,0,1,1,0,0|2,0,0]=4 5356 B13R2.369 Nc1cc2ccncc2cc1O Amb18830217 [0,0,1,1,0,0|2,0,0]=4 5357 B13R2.369 Nc1cc2ncccc2cc1O Amb25966047 [0,0,1,1,0,0|2,0,0]=4 5358 B13R2.369 Nc1nc2ccccc2cc1O Amb27471786 [0,0,1,1,0,0|2,0,0]=4 5359 B13R2.369 O=C1Cc2ccccc2OC1=O Amb22755081 [0,0,1,1,0,0|1,0,1]=4 5360 B13R2.369 O=C1Nc2ccccc2C=C1Br Amb20247010 [0,0,1,1,0,0|2,0,0]=4 5361 B13R2.369 O=C1Nc2ccccc2C=C1Cl Amb21857147 [0,0,1,1,0,0|2,0,0]=4 5362 B13R2.369 O=C1Nc2ccccc2C=C1F Amb22547229 [0,0,1,1,0,0|2,0,0]=4 5363 B13R2.369 O=C1Nc2ccccc2C=C1O Amb20619410 [0,0,1,1,0,0|2,0,0]=4 5364 B13R2.369 O=C1Nc2ccccc2NC1=O Amb18545062 [0,0,1,1,0,0|2,0,0]=4 5365 B13R2.369 O=C1Nc2ccccc2NC1=S Amb19654259 [0,0,1,1,0,0|2,0,0]=4 5366 B13R2.369 O=C1Nc2ccccc2OC1=O Amb19650977 [0,0,1,1,0,0|1,0,0]=3 5367 B13R2.369 O=C1Nc2ccccc2SC1=O Amb27949655 [0,0,1,1,0,0|1,1,0]=4 5368 B13R2.369 O=C1Oc2ccccc2C=C1Br Amb19655979 [0,0,1,1,0,0|1,0,0]=3 5369 B13R2.369 O=C1Oc2ccccc2C=C1F Amb22547186 [0,0,1,1,0,0|1,0,0]=3 5370 B13R2.369 O=C1Oc2ccccc2C=C1O Amb18511465 [0,0,1,1,0,0|1,0,0]=3 5371 B13R2.369 O=C1Oc2ccccc2C=C1S Amb27173626 [0,0,1,1,0,0|1,0,0]=3 5372 B13R2.369 O=C1Oc2ccccc2N=C1Cl Amb21858712 [0,0,1,1,0,0|1,0,1]=4 5373 B13R2.369 O=C1Oc2ccccc2N=C1O Amb22494623 [0,0,1,1,0,0|1,0,1]=4 5374 B13R2.369 O=C1Oc2ccccc2NC1=S Amb27947432 [0,0,1,1,0,0|1,0,0]=3 5375 B13R2.369 O=C1Oc2ccccc2NC1Cl Amb27444661 [0,0,1,1,0,0|1,0,1]=4 5376 B13R2.369 O=C1Oc2ccccc2NC1O Amb27767886 [0,0,1,1,0,0|1,0,1]=4 5377 B13R2.369 O=C1Sc2ccccc2C=C1Br Amb19886583 [0,0,1,1,0,0|1,1,0]=4 5378 B13R2.369 O=C1Sc2ccccc2C=C1Cl Amb22347336 [0,0,1,1,0,0|1,1,0]=4 5379 B13R2.369 O=C1Sc2ccccc2C=C1F Amb22641706 [0,0,1,1,0,0|1,1,0]=4 5380 B13R2.369 Oc1cc2ccccc2cc1Br Amb17596080 [0,0,1,1,0,0|2,0,0]=4 5381 B13R2.369 Oc1cc2ccccc2cc1Cl Amb4010282 [0,0,1,1,0,0|2,0,0]=4 5382 B13R2.369 Oc1cc2ccccc2cc1F Amb26494442 [0,0,1,1,0,0|2,0,0]=4 5383 B13R2.369 Oc1cc2ccccc2cc1I Amb25148790 [0,0,1,1,0,0|2,0,0]=4 5384 B13R2.369 Oc1cc2ccccc2cc1O Amb6296607 [0,0,1,1,0,0|2,0,0]=4 5385 B13R2.369 Oc1nc2ccccc2cc1Br Amb10608236 [0,0,1,1,0,0|2,0,0]=4 5386 B13R2.373 C=C1C(=O)N[C@H]1c2ccccc2 Amb28243927 [0,0,1,1,0,0|2,0,0]=4 5387 B13R2.373 O=C1C=C(c2ccccc2)C1=O Amb22172059 [0,0,1,1,0,0|2,0,0]=4 5388 B13R2.423 O=C(O)C1=C(c2ccccc2)C1 Amb28121109 [0,0,1,1,0,0|1,0,0]=3 5389 B13R2.33 CC1=NNc2ccccc2C=C1 Amb27421335 [0,0,1,1,0,0|2,0,0]=4 5390 B13R2.33 NC1=NNc2ccccc2C=C1 Amb27974235 [0,0,1,1,0,0|2,0,0]=4 5391 B13R2.33 O=C1C=Cc2ccccc2C=C1 Amb21952910 [0,0,1,1,0,0|2,0,0]=4 5392 B13R2.33 O=C1C=Cc2ccccc2CC1 Amb17593958 [0,0,1,1,0,0|2,0,0]=4 5393 B13R2.33 O=C1C=Cc2ccccc2CN1 Amb8630983 [0,0,1,1,0,0|2,0,0]=4 5394 B13R2.33 O=C1C=Cc2ccccc2OC1 Amb27175937 [0,0,1,1,0,0|2,0,0]=4 5395 B13R2.33 O=C1C=Nc2ccccc2C=N1 Amb22489908 [0,0,1,1,0,0|1,0,1]=4 5396 B13R2.216 Cc1ccccc1C2=CC(=O)C2 Amb28243960 [0,0,1,1,0,0|2,0,0]=4 5397 B13R2.222 O=S1(=O)C=Cc2ccccc2N1 Amb27468630 [0,0,1,1,0,0|1,0,1]=4 5398 B13R2.4848 Nc1cccc2c1C=CS2(=O)=O Amb26841193 [0,0,1,1,0,0|1,0,1]=4 5399 B13R2.5179 CC1=COc2c(N)cccc2O1 Amb17570074 [0,0,1,1,0,0|2,0,0]=4 5400 B13R2.5179 Cc1ccc2c(N)cccc2c1 Amb17593939 [0,0,1,1,0,0|2,0,0]=4 5401 B13R2.5179 Cc1ccc2c(N)cccc2n1 Amb6355822 [0,0,1,1,0,0|2,0,0]=4 5402 B13R2.5179 Cc1cccc2c1C=CC(=O)O2 Amb27449737 [0,0,1,1,0,0|1,0,0]=3 5403 B13R2.5179 Nc1ccc2c(N)cccc2c1 Amb17593962 [0,0,1,1,0,0|2,0,0]=4 5404 B13R2.5179 Nc1ccc2c(N)cccc2c1 Amb33611679 [0,0,1,1,0,0|2,0,0]=4 5405 B13R2.5179 Nc1cccc2c1C=CC(=O)N2 Amb22500953 [0,0,1,1,0,0|1,0,0]=3 5406 B13R2.5179 Nc1cccc2c1COC(=O)O2 Amb27864251 [0,0,1,1,0,0|1,0,1]=4 5407 B13R2.5179 Nc1cccc2cc(Br)ccc12 Amb25073486 [0,0,1,1,0,0|2,0,0]=4 5408 B13R2.5179 Nc1cccc2cc(Cl)ccc12 Amb17594521 [0,0,1,1,0,0|2,0,0]=4 5409 B13R2.5179 Nc1cccc2cc(F)ccc12 Amb22497264 [0,0,1,1,0,0|2,0,0]=4 5410 B13R2.5179 Nc1cccc2cc(F)ccc12 Amb31156387 [0,0,1,1,0,0|2,0,0]=4 5411 B13R2.5179 Nc1cccc2cc(I)ccc12 Amb24410696 [0,0,1,1,0,0|2,0,0]=4 5412 B13R2.5179 Nc1cccc2cc(O)ccc12 Amb2776482 [0,0,1,1,0,0|1,0,0]=3 5413 B13R2.5179 Nc1cccc2cc(O)cnc12 Amb24183774 [0,0,1,1,0,0|2,0,0]=4 5414 B13R2.5179 Nc1cccc2cc(O)ncc12 Amb22735996 [0,0,1,1,0,0|2,0,0]=4 5415 B13R2.5179 Nc1cccc2nc(Cl)ccc12 Amb22755337 [0,0,1,1,0,0|2,0,0]=4 5416 B13R2.5179 Nc1ccnc2cc(O)ccc12 Amb24738429 [0,0,1,1,0,0|2,0,0]=4 5417 B13R2.5179 O=C1C=CC2=C(C=CCC2=O)O1 Amb27441851 [0,0,1,1,0,0|1,0,1]=4 5418 B13R2.5179 O=C1C=CC=C2OC(O)=CC=C12 Amb27959181 [0,0,1,1,0,0|1,0,1]=4 5419 B13R2.5179 O=C1C=Cc2c(Br)cccc2N1 Amb22263039 [0,0,1,1,0,0|2,0,0]=4 5420 B13R2.5179 O=C1C=Cc2c(Br)cccc2O1 Amb24682464 [0,0,1,1,0,0|1,0,0]=3 5421 B13R2.5179 O=C1C=Cc2c(Cl)cccc2O1 Amb24368459 [0,0,1,1,0,0|1,0,0]=3 5422 B13R2.5179 O=C1C=Cc2c(F)cccc2O1 Amb24675426 [0,0,1,1,0,0|1,0,0]=3 5423 B13R2.5179 O=C1C=Cc2c(I)cccc2O1 Amb27635036 [0,0,1,1,0,0|1,0,0]=3 5424 B13R2.5179 O=C1C=Cc2c(O)cccc2N1 Amb17933814 [0,0,1,1,0,0|2,0,0]=4 5425 B13R2.5179 Oc1ccc2c(Br)cccc2c1 Amb17596082 [0,0,1,1,0,0|2,0,0]=4 5426 B13R2.5179 Oc1ccc2c(Br)cccc2n1 Amb22371958 [0,0,1,1,0,0|2,0,0]=4 5427 B13R2.5179 Oc1ccc2c(Cl)cccc2c1 Amb17594575 [0,0,1,1,0,0|2,0,0]=4 5428 B13R2.5179 Oc1ccc2c(Cl)cccc2n1 Amb24725156 [0,0,1,1,0,0|2,0,0]=4 5429 B13R2.5179 Oc1ccc2c(F)cccc2c1 Amb28342977 [0,0,1,1,0,0|2,0,0]=4 5430 B13R2.5179 Oc1ccc2c(F)cccc2n1 Amb23448556 [0,0,1,1,0,0|2,0,0]=4 5431 B13R2.5179 Oc1ccc2c(I)cccc2c1 Amb25883430 [0,0,1,1,0,0|2,0,0]=4 5432 B13R2.5179 Oc1ccc2c(I)cccc2n1 Amb23401167 [0,0,1,1,0,0|2,0,0]=4 5433 B13R2.5179 Oc1ccc2c(O)cccc2c1 Amb6357829 [0,0,1,1,0,0|2,0,0]=4 5434 B13R2.5881 CC(=O)\C=C1/Cc2ccccc21 Amb21948332 [0,0,1,1,0,0|2,0,0]=4 5435 B13R2.5881 O=C(O)CC1=Cc2ccccc21 Amb25148617 [0,0,1,1,0,0|1,0,1]=4 5436 B13R2.5881 O=C(O)\C=C1\Cc2ccccc21 Amb28288611 [0,0,1,1,0,0|1,0,0]=3 5437 B13R2.72 CC(=O)c1ccc2ccccn12 Amb18149670 [0,0,1,1,0,0|1,0,0]=3 5438 B13R2.72 CC(=O)c1ccc2cnccn12 Amb18830282 [0,0,1,1,0,0|2,0,0]=4 5439 B13R2.72 CC(=O)c1cnc2ccccn12 Amb21963091 [0,0,1,1,0,0|2,0,0]=4 5440 B13R2.72 CC(=O)c1occ2ccccc12 Amb18199846 [0,0,1,1,0,0|2,0,0]=4 5441 B13R2.72 NC(=O)c1ccc2ccccn12 Amb25089902 [0,0,1,1,0,0|1,0,0]=3 5442 B13R2.72 NC(=O)c1ccc2cccnn12 Amb25152474 [0,0,1,1,0,0|2,0,0]=4 5443 B13R2.72 O=C(Cl)c1cnc2ccccn12 Amb25997777 [0,0,1,1,0,0|2,0,0]=4 5444 B13R2.72 O=C(O)C1=CCc2ccccc21 Amb2691224 [0,0,1,1,0,0|1,0,1]=4 5445 B13R2.72 O=C(O)C1C=Cc2ccccc21 Amb17470411 [0,0,1,1,0,0|1,0,1]=4 5446 B13R2.72 O=C(O)C1NCc2ccccc21 Amb22491461 [0,0,1,1,0,0|0,0,2]=4 5447 B13R2.72 O=C(O)C1NCc2ccccc21 Amb2699615 [0,0,1,1,0,0|0,0,2]=4 5448 B13R2.72 O=C(O)[C@@H]1NCc2ccccc21 Amb22748827 [0,0,1,1,0,0|0,0,2]=4 5449 B13R2.72 O=C(O)[C@@H]1NCc2ccccc21 Amb30869293 [0,0,1,1,0,0|0,0,2]=4 5450 B13R2.72 O=C(O)[C@H]1NCc2ccccc21 Amb25200954 [0,0,1,1,0,0|0,0,2]=4 5451 B13R2.72 O=C(O)[C@H]1NCc2ccccc21 Amb33872272 [0,0,1,1,0,0|0,0,2]=4 5452 B13R2.72 O=C(O)c1ccc2ccccn12 Amb18149687 [0,0,1,1,0,0|0,0,0]=2 5453 B13R2.72 O=C(O)c1ccc2cccnn12 Amb25034789 [0,0,1,1,0,0|1,0,0]=3 5454 B13R2.72 O=C(O)c1ccc2cncnn12 Amb18829546 [0,0,1,1,0,0|2,0,0]=4 5455 B13R2.72 O=C(O)c1ccn2ccccc12 Amb22755846 [0,0,1,1,0,0|2,0,0]=4 5456 B13R2.72 O=C(O)c1cnc2ccccn12 Amb2723386 [0,0,1,1,0,0|1,0,0]=3 5457 B13R2.72 O=C(O)c1cnc2ccccn12 Amb32693473 [0,0,1,1,0,0|1,0,0]=3 5458 B13R2.72 O=C(O)c1cnc2cccnn12 Amb33546267 [0,0,1,1,0,0|2,0,0]=4 5459 B13R2.72 O=C(O)c1cnc2cnccn12 Amb18829542 [0,0,1,1,0,0|2,0,0]=4 5460 B13R2.72 O=C(O)c1cnc2ncccn12 Amb8010291 [0,0,1,1,0,0|2,0,0]=4 5461 B13R2.72 O=C(O)c1coc2ccccc12 Amb6355909 [0,0,1,1,0,0|2,0,0]=4 5462 B13R2.72 O=C(O)c1csc2ccccc12 Amb6335606 [0,0,1,1,0,0|2,0,0]=4 5463 B13R2.72 O=C(O)c1ncc2ccccn12 Amb17060780 [0,0,1,1,0,0|1,0,0]=3 5464 B13R2.72 O=C(O)c1ncc2cnccn12 Amb24531553 [0,0,1,1,0,0|2,0,0]=4 5465 B13R2.72 O=C(O)c1ncn2ccccc12 Amb18559504 [0,0,1,1,0,0|1,0,1]=4 5466 B13R2.72 O=C(O)c1nnc2ccccn12 Amb17062672 [0,0,1,1,0,0|2,0,0]=4 5467 B13R2.72 O=C(O)c1noc2ccccc12 Amb1994153 [0,0,1,1,0,0|1,0,1]=4 5468 B13R2.72 O=C(O)c1nsc2ccccc12 Amb33542908 [0,0,1,1,0,0|1,0,1]=4 5469 B13R2.72 O=C(O)c1occ2ccccc12 Amb6357074 [0,0,1,1,0,0|1,0,0]=3 5470 B13R2.72 O=C(O)c1onc2ccccc12 Amb2725091 [0,0,1,1,0,0|2,0,0]=4 5471 B13R2.72 O=C(O)c1snc2ccccc12 Amb17594585 [0,0,1,1,0,0|2,0,0]=4 5472 B13R2.72 O=[N+]([O-])c1ccc2ccccn12 Amb18559297 [0,0,1,1,0,0|1,0,1]=4 5473 B13R2.72 OC(O)=C1C=Cc2ccccc21 Amb24357578 [0,0,1,1,0,0|1,0,1]=4 5474 B13R2.430 O=C(O)C1=Cc2cccn2CN1 Amb26561284 [0,0,1,1,0,0|1,0,1]=4 5475 B13R2.430 O=C(O)C1=Cn2cccc2CN1 Amb22495875 [0,0,1,1,0,0|1,0,1]=4 5476 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb10067648 [0,0,1,1,0,0|1,0,1]=4 5477 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb2608696 [0,0,1,1,0,0|1,0,1]=4 5478 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb19958264 [0,0,1,1,0,0|1,0,1]=4 5479 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb22235943 [0,0,1,1,0,0|1,0,1]=4 5480 B13R2.430 O=C(O)c1cc2ccsc2cn1 Amb18128312 [0,0,1,1,0,0|1,0,1]=4 5481 B13R2.430 O=C(O)c1cc2cscc2cn1 Amb28385657 [0,0,1,1,0,0|1,0,1]=4 5482 B13R2.430 O=C(O)c1cc2occc2cn1 Amb18829553 [0,0,1,1,0,0|1,0,1]=4 5483 B13R2.430 O=C(O)c1cc2sccc2cn1 Amb18128384 [0,0,1,1,0,0|1,0,1]=4 5484 B13R2.430 O=C(O)c1ccc2[se]ccc2n1 Amb2611568 [0,0,1,1,0,0|1,0,1]=4 5485 B13R2.430 O=C(O)c1ccc2c(c1)C=CC2 Amb24078363 [0,0,1,1,0,0|1,0,1]=4 5486 B13R2.430 O=C(O)c1ccc2cccn2c1 Amb16232518 [0,0,1,1,0,0|2,0,0]=4 5487 B13R2.430 O=C(O)c1ccc2ccoc2c1 Amb33542897 [0,0,1,1,0,0|2,0,0]=4 5488 B13R2.430 O=C(O)c1ccc2ccsc2c1 Amb9783319 [0,0,1,1,0,0|2,0,0]=4 5489 B13R2.430 O=C(O)c1ccc2occc2c1 Amb2723107 [0,0,1,1,0,0|2,0,0]=4 5490 B13R2.430 O=C(O)c1ccc2occc2n1 Amb18645762 [0,0,1,1,0,0|1,0,1]=4 5491 B13R2.430 O=C(O)c1ccc2sccc2c1 Amb1995219 [0,0,1,1,0,0|2,0,0]=4 5492 B13R2.430 O=C(O)c1ccc2sccc2n1 Amb18128400 [0,0,1,1,0,0|1,0,1]=4 5493 B13R2.430 O=C(O)c1ccn2cccc2c1 Amb26600537 [0,0,1,1,0,0|2,0,0]=4 5494 B13R2.430 O=C(O)c1cn2cccc2cn1 Amb22747148 [0,0,1,1,0,0|1,0,1]=4 5495 B13R2.5569 CC(=O)c1cccc2cncn12 Amb26645825 [0,0,1,1,0,0|2,0,0]=4 5496 B13R2.5569 CC(=O)c1cccc2nccn12 Amb28246880 [0,0,1,1,0,0|2,0,0]=4 5497 B13R2.5569 NC(=O)c1cccc2ccnn12 Amb27649041 [0,0,1,1,0,0|2,0,0]=4 5498 B13R2.5569 O=C(O)c1cccc2c1C=CC2 Amb18645284 [0,0,1,1,0,0|1,0,1]=4 5499 B13R2.5569 O=C(O)c1cccc2cccn12 Amb25150101 [0,0,1,1,0,0|0,0,0]=2 5500 B13R2.5569 O=C(O)c1cccc2ccnn12 Amb10604061 [0,0,1,1,0,0|1,0,0]=3 5501 B13R2.5569 O=C(O)c1cccc2ccoc12 Amb10603968 [0,0,1,1,0,0|2,0,0]=4 5502 B13R2.5569 O=C(O)c1cccc2ccsc12 Amb1995222 [0,0,1,1,0,0|2,0,0]=4 5503 B13R2.5569 O=C(O)c1cccc2cncn12 Amb21963271 [0,0,1,1,0,0|1,0,0]=3 5504 B13R2.5569 O=C(O)c1cccc2cnnn12 Amb26442603 [0,0,1,1,0,0|2,0,0]=4 5505 B13R2.5569 O=C(O)c1cccc2nccn12 Amb17128328 [0,0,1,1,0,0|1,0,0]=3 5506 B13R2.5569 O=C(O)c1cccc2nccn12 Amb8629927 [0,0,1,1,0,0|1,0,0]=3 5507 B13R2.5569 O=C(O)c1cccc2ncnn12 Amb19096467 [0,0,1,1,0,0|2,0,0]=4 5508 B13R2.5569 O=C(O)c1cccc2ncnn12 Amb28555826 [0,0,1,1,0,0|2,0,0]=4 5509 B13R2.5569 O=C(O)c1cccc2nncn12 Amb23439179 [0,0,1,1,0,0|2,0,0]=4 5510 B13R2.5569 O=C(O)c1cccc2nncn12 Amb33299309 [0,0,1,1,0,0|2,0,0]=4 5511 B13R2.5569 O=C(O)c1cccc2occc12 Amb10603966 [0,0,1,1,0,0|2,0,0]=4 5512 B13R2.5569 O=C(O)c1cccc2sccc12 Amb9783320 [0,0,1,1,0,0|2,0,0]=4 5513 B13R2.5569 O=C(O)c1ccnc2ccnn12 Amb18829508 [0,0,1,1,0,0|2,0,0]=4 5514 B13R2.5569 O=C(O)c1nccc2ccsc12 Amb18824751 [0,0,1,1,0,0|1,0,1]=4 5515 B13R2.5569 O=C(O)c1nccc2ccsc12 Amb32667598 [0,0,1,1,0,0|1,0,1]=4 5516 B13R2.5569 O=C(O)c1nccc2nccn12 Amb18829501 [0,0,1,1,0,0|2,0,0]=4 5517 B13R2.5569 O=C(O)c1nccc2occc12 Amb18829552 [0,0,1,1,0,0|1,0,1]=4 5518 B13R2.5569 O=C(O)c1nccc2occc12 Amb30625766 [0,0,1,1,0,0|1,0,1]=4 5519 B13R2.5569 O=C(O)c1nccc2sccc12 Amb4561019 [0,0,1,1,0,0|1,0,1]=4 5520 B13R2.5569 O=S(O)c1cccc2ccnn12 Amb32992423 [0,0,1,1,0,0|2,0,0]=4 5521 B15R3.2009 O=C1Cn2c(nc3ccccc32)N1 Amb27624384 [0,0,0,1,0,1|2,0,0]=4 5522 B15R3.485 O=C1Cc2c1ccc3ccccc23 Amb17778717 [0,0,0,1,0,1|2,0,0]=4 5523 B15R3.15145 O=C1Nc2cc3ccccc3cc21 Amb27607801 [0,0,0,1,0,1|2,0,0]=4 5524 B15R3.166 Cn1c(C2CO2)cc3ccccc31 Amb33344798 [0,1,0,1,0,0|1,0,1]=4 5525 B15R3.166 Cn1c([C@@H]2CO2)cc3ccccc31 Amb33142741 [0,1,0,1,0,0|1,0,1]=4 5526 B15R3.166 Cn1c([C@H]2CO2)cc3ccccc31 Amb33142742 [0,1,0,1,0,0|1,0,1]=4 5527 B15R3.2249 O=C1CCn2c1cc3ccccc32 Amb18198639 [0,1,0,1,0,0|1,0,0]=3 5528 B15R3.2249 O=C1OCC2c3ccccc3NC12 Amb27818219 [0,1,0,1,0,0|0,0,2]=4 5529 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,0,1,0,1,0|2,0,0]=4 5530 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,0,1,0,1,0|2,0,0]=4 5531 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,0,1,0,1,0|2,0,0]=4 5532 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,0,1,0,1,0|2,0,0]=4 5533 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,0,1,0,1,0|2,0,0]=4 5534 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,0,1,0,1,0|2,0,0]=4 5535 B11R1.35 N\C(=C/c1ccns1)C(=O)O Amb27883195 [0,0,1,0,1,0|2,0,0]=4 5536 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,0,1,0,1,0|2,0,0]=4 5537 B11R1.35 N\C(=C/c1cnsc1)C(=O)O Amb35715807 [0,0,1,0,1,0|2,0,0]=4 5538 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,0,1,0,1,0|1,0,0]=3 5539 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,0,1,0,1,0|2,0,0]=4 5540 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,0,1,0,1,0|2,0,0]=4 5541 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,0,1,0,1,0|2,0,0]=4 5542 B11R1.36 C=C(B(O)O)c1ccccc1 Amb10071036 [0,0,1,0,1,0|1,0,1]=4 5543 B11R1.36 C=C(C(=O)O)c1ccccc1 Amb8628277 [0,0,1,0,1,0|0,0,0]=2 5544 B11R1.36 C=C(C(=O)O)c1cccnc1 Amb24578705 [0,0,1,0,1,0|1,0,0]=3 5545 B11R1.36 C=C(C(=O)O)c1ccncc1 Amb26880206 [0,0,1,0,1,0|1,0,0]=3 5546 B11R1.36 C=C(C(=O)O)c1ccncn1 Amb33268583 [0,0,1,0,1,0|2,0,0]=4 5547 B11R1.36 C=C(C(=O)O)c1cnccn1 Amb33429680 [0,0,1,0,1,0|2,0,0]=4 5548 B11R1.36 C=C(C(=O)O)c1cncnc1 Amb33149166 [0,0,1,0,1,0|2,0,0]=4 5549 B11R1.36 C=C(C(=O)O)c1ncccn1 Amb33270380 [0,0,1,0,1,0|2,0,0]=4 5550 B11R1.36 C=C(C(C)=O)c1ccncc1 Amb27955060 [0,0,1,0,1,0|2,0,0]=4 5551 B11R1.36 C=C(c1ccccc1)[N+](=O)[O-] Amb27787298 [0,0,1,0,1,0|1,0,1]=4 5552 B11R1.36 CC(=O)C(=O)c1ccccc1 Amb2099500 [0,0,1,0,1,0|2,0,0]=4 5553 B11R1.36 CC(=O)C(N)c1ccccc1 Amb25131723 [0,0,1,0,1,0|1,0,1]=4 5554 B11R1.36 CC(=O)C(N)c1ccccc1 Amb2725723 [0,0,1,0,1,0|1,0,1]=4 5555 B11R1.36 CC(=O)N(N)c1ccccc1 Amb4018565 [0,0,1,0,1,0|2,0,0]=4 5556 B11R1.36 CC(C(=O)O)c1ccccc1 Amb2720839 [0,0,1,0,1,0|0,0,2]=4 5557 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 Amb8514913 [0,0,1,0,1,0|0,0,2]=4 5558 B11R1.36 C[C@H](C(=O)O)c1ccccc1 Amb3938973 [0,0,1,0,1,0|0,0,2]=4 5559 B11R1.36 NC(=O)C(=O)c1ccccc1 Amb18560879 [0,0,1,0,1,0|2,0,0]=4 5560 B11R1.36 NC(=O)C(N)c1ccccc1 Amb13951330 [0,0,1,0,1,0|1,0,1]=4 5561 B11R1.36 NC(=O)C(N)c1ccccc1 Amb9720012 [0,0,1,0,1,0|1,0,1]=4 5562 B11R1.36 NC(=O)[C@@H](N)c1ccccc1 Amb10603128 [0,0,1,0,1,0|1,0,1]=4 5563 B11R1.36 NC(=O)[C@@H](N)c1ccccc1 Amb22745343 [0,0,1,0,1,0|1,0,1]=4 5564 B11R1.36 NC(=O)[C@H](N)c1ccccc1 Amb22353208 [0,0,1,0,1,0|1,0,1]=4 5565 B11R1.36 NC(=O)[C@H](N)c1ccccc1 Amb8392882 [0,0,1,0,1,0|1,0,1]=4 5566 B11R1.36 NC(C(=O)Cl)c1ccccc1 Amb21912493 [0,0,1,0,1,0|1,0,1]=4 5567 B11R1.36 NC(C(=O)Cl)c1ccccc1 Amb533254 [0,0,1,0,1,0|1,0,1]=4 5568 B11R1.36 NC(C(=O)O)c1ccccc1 Amb1869285 [0,0,1,0,1,0|0,0,1]=3 5569 B11R1.36 NC(C(=O)O)c1ccccn1 Amb2696726 [0,0,1,0,1,0|1,0,1]=4 5570 B11R1.36 NC(C(=O)O)c1cccnc1 Amb10632723 [0,0,1,0,1,0|1,0,1]=4 5571 B11R1.36 NC(C(=O)O)c1cccnc1 Amb2696725 [0,0,1,0,1,0|1,0,1]=4 5572 B11R1.36 NC(C(=O)O)c1ccncc1 Amb2696724 [0,0,1,0,1,0|1,0,1]=4 5573 B11R1.36 NC(C(=O)O)c1ccncc1 Amb2699210 [0,0,1,0,1,0|1,0,1]=4 5574 B11R1.36 NC(C(O)=S)c1ccccc1 Amb27985091 [0,0,1,0,1,0|0,1,1]=4 5575 B11R1.36 N[C@@H](C(=O)Cl)c1ccccc1 Amb22351781 [0,0,1,0,1,0|1,0,1]=4 5576 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 Amb22745585 [0,0,1,0,1,0|0,0,1]=3 5577 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 Amb2747967 [0,0,1,0,1,0|0,0,1]=3 5578 B11R1.36 N[C@@H](C(=O)O)c1ccccn1 Amb27410783 [0,0,1,0,1,0|1,0,1]=4 5579 B11R1.36 N[C@@H](C(=O)O)c1ccncc1 Amb27621348 [0,0,1,0,1,0|1,0,1]=4 5580 B11R1.36 N[C@H](C(=O)O)c1ccccc1 Amb533283 [0,0,1,0,1,0|0,0,1]=3 5581 B11R1.36 N[C@H](C(=O)O)c1ccncc1 Amb2694813 [0,0,1,0,1,0|1,0,1]=4 5582 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb2611302 [0,0,1,0,1,0|1,0,0]=3 5583 B11R1.36 O=C(O)C(=O)c1ccccc1 Amb33204525 [0,0,1,0,1,0|1,0,0]=3 5584 B11R1.36 O=C(O)C(=O)c1ccccn1 Amb18831273 [0,0,1,0,1,0|2,0,0]=4 5585 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb15701278 [0,0,1,0,1,0|2,0,0]=4 5586 B11R1.36 O=C(O)C(=O)c1cccnc1 Amb22492371 [0,0,1,0,1,0|2,0,0]=4 5587 B11R1.36 O=C(O)C(Br)c1ccccc1 Amb2720724 [0,0,1,0,1,0|1,0,1]=4 5588 B11R1.36 O=C(O)C(Cl)c1ccccc1 Amb518006 [0,0,1,0,1,0|1,0,1]=4 5589 B11R1.36 O=C(O)C(F)c1ccccc1 Amb2688302 [0,0,1,0,1,0|1,0,1]=4 5590 B11R1.36 O=C(O)C(O)c1ccccc1 Amb4018578 [0,0,1,0,1,0|1,0,1]=4 5591 B11R1.36 O=C(O)C(O)c1ccccc1 Amb9703097 [0,0,1,0,1,0|1,0,1]=4 5592 B11R1.36 O=C(O)C(S)c1ccccc1 Amb6753823 [0,0,1,0,1,0|1,0,1]=4 5593 B11R1.36 O=C(O)[C@@H](Br)c1ccccc1 Amb25056175 [0,0,1,0,1,0|1,0,1]=4 5594 B11R1.36 O=C(O)[C@@H](Cl)c1ccccc1 Amb27413742 [0,0,1,0,1,0|1,0,1]=4 5595 B11R1.36 O=C(O)[C@@H](F)c1ccccc1 Amb27632458 [0,0,1,0,1,0|1,0,1]=4 5596 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 Amb6354582 [0,0,1,0,1,0|1,0,1]=4 5597 B11R1.36 O=C(O)[C@H](Br)c1ccccc1 Amb27176517 [0,0,1,0,1,0|1,0,1]=4 5598 B11R1.36 O=C(O)[C@H](F)c1ccccc1 Amb27955206 [0,0,1,0,1,0|1,0,1]=4 5599 B11R1.36 O=C(O)[C@H](O)c1ccccc1 Amb3428495 [0,0,1,0,1,0|1,0,1]=4 5600 B11R1.36 O=C([O-])C(=O)c1ccccc1 Amb33204524 [0,0,1,0,1,0|1,0,1]=4 5601 B11R1.36 [NH3+]C(C(=O)O)c1ccccc1 Amb22641589 [0,0,1,0,1,0|0,0,2]=4 5602 B11R1.86 CC(=O)Cc1ccccc1N Amb8439140 [0,0,1,0,1,0|1,0,1]=4 5603 B11R1.86 CC(=O)Nc1ccccc1Br Amb2611397 [0,0,1,0,1,0|2,0,0]=4 5604 B11R1.86 CC(=O)Nc1ccccc1C Amb6346350 [0,0,1,0,1,0|1,0,1]=4 5605 B11R1.86 CC(=O)Nc1ccccc1Cl Amb6349758 [0,0,1,0,1,0|2,0,0]=4 5606 B11R1.86 CC(=O)Nc1ccccc1F Amb2444091 [0,0,1,0,1,0|2,0,0]=4 5607 B11R1.86 CC(=O)Nc1ccccc1I Amb2652722 [0,0,1,0,1,0|2,0,0]=4 5608 B11R1.86 CC(=O)Nc1ccccc1N Amb1121033 [0,0,1,0,1,0|2,0,0]=4 5609 B11R1.86 CC(=O)Nc1ccccc1O Amb1212257 [0,0,1,0,1,0|2,0,0]=4 5610 B11R1.86 CC(=O)Nc1ccccc1S Amb16186713 [0,0,1,0,1,0|2,0,0]=4 5611 B11R1.86 C\C(Br)=C\c1ccccc1N Amb27643490 [0,0,1,0,1,0|2,0,0]=4 5612 B11R1.86 Cc1ccccc1CC(=O)O Amb2609430 [0,0,1,0,1,0|0,0,2]=4 5613 B11R1.86 Cc1ccccc1NC(N)=O Amb6357971 [0,0,1,0,1,0|1,0,1]=4 5614 B11R1.86 NC(=O)Cc1ccccc1N Amb1116123 [0,0,1,0,1,0|1,0,1]=4 5615 B11R1.86 NC(=O)Nc1ccccc1Br Amb1140530 [0,0,1,0,1,0|2,0,0]=4 5616 B11R1.86 NC(=O)Nc1ccccc1Cl Amb1131193 [0,0,1,0,1,0|2,0,0]=4 5617 B11R1.86 NC(=O)Nc1ccccc1F Amb1211836 [0,0,1,0,1,0|2,0,0]=4 5618 B11R1.86 NC(=O)Nc1ccccc1N Amb1114330 [0,0,1,0,1,0|2,0,0]=4 5619 B11R1.86 NC(=O)Nc1ccccc1O Amb18125361 [0,0,1,0,1,0|2,0,0]=4 5620 B11R1.86 Nc1ccccc1CC(=O)O Amb5519014 [0,0,1,0,1,0|0,0,1]=3 5621 B11R1.86 Nc1ncccc1CC(=O)O Amb21962140 [0,0,1,0,1,0|1,0,1]=4 5622 B11R1.86 Nc1ncccc1CC(=O)O Amb28652875 [0,0,1,0,1,0|1,0,1]=4 5623 B11R1.86 O=C(Cl)Nc1ccccc1Br Amb35636931 [0,0,1,0,1,0|2,0,0]=4 5624 B11R1.86 O=C(Cl)Nc1ccccc1Cl Amb27653292 [0,0,1,0,1,0|2,0,0]=4 5625 B11R1.86 O=C(Cl)Nc1ccccc1F Amb35637035 [0,0,1,0,1,0|2,0,0]=4 5626 B11R1.86 O=C(Cl)Nc1ccccc1I Amb35637031 [0,0,1,0,1,0|2,0,0]=4 5627 B11R1.86 O=C(O)Cc1ccccc1Br Amb1139894 [0,0,1,0,1,0|1,0,1]=4 5628 B11R1.86 O=C(O)Cc1ccccc1Cl Amb6365808 [0,0,1,0,1,0|1,0,1]=4 5629 B11R1.86 O=C(O)Cc1ccccc1F Amb2688300 [0,0,1,0,1,0|1,0,1]=4 5630 B11R1.86 O=C(O)Cc1ccccc1I Amb2754650 [0,0,1,0,1,0|1,0,1]=4 5631 B11R1.86 O=C(O)Cc1ccccc1O Amb2388914 [0,0,1,0,1,0|1,0,1]=4 5632 B11R1.86 O=C(O)Cc1ccccc1S Amb17616851 [0,0,1,0,1,0|1,0,1]=4 5633 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,0,1,0,1,0|2,0,0]=4 5634 B11R1.90 Cc1ccsc1\C=C\C(=O)O Amb1153084 [0,0,1,0,1,0|2,0,0]=4 5635 B11R1.90 Cc1cocc1\C=C\C(=O)O Amb24617450 [0,0,1,0,1,0|2,0,0]=4 5636 B11R1.90 Cc1cscc1\C=C\C(=O)O Amb26421314 [0,0,1,0,1,0|2,0,0]=4 5637 B11R1.90 Cc1occc1\C=C\C(=O)O Amb33171665 [0,0,1,0,1,0|2,0,0]=4 5638 B11R1.90 Cn1cccc1\C=C\C(=O)O Amb2371137 [0,0,1,0,1,0|2,0,0]=4 5639 B11R1.90 O=C(O)\C=C\c1ccoc1Br Amb33470062 [0,0,1,0,1,0|2,0,0]=4 5640 B11R1.90 O=C(O)\C=C\c1ccoc1Cl Amb33470060 [0,0,1,0,1,0|2,0,0]=4 5641 B11R1.90 O=C(O)\C=C\c1ccsc1Br Amb33470113 [0,0,1,0,1,0|2,0,0]=4 5642 B11R1.90 O=C(O)\C=C\c1cscc1Br Amb25075327 [0,0,1,0,1,0|2,0,0]=4 5643 B11R1.90 O=C(O)\C=C\c1cscc1Cl Amb25700973 [0,0,1,0,1,0|2,0,0]=4 5644 B11R1.90 O=C(O)\C=C\c1sccc1Br Amb26004966 [0,0,1,0,1,0|2,0,0]=4 5645 B11R1.90 O=C(O)\C=C\c1sccc1Cl Amb24100812 [0,0,1,0,1,0|2,0,0]=4 5646 B11R1.90 O=C(O)\C=C\c1sccc1F Amb33470058 [0,0,1,0,1,0|2,0,0]=4 5647 B11R1.90 O=C(O)\C=C\c1sccc1I Amb33470064 [0,0,1,0,1,0|2,0,0]=4 5648 B11R1.706 O=C(O)C1=CC=CC=CC=C1 Amb22365173 [0,0,1,0,1,0|0,0,0]=2 5649 B11R2.15 O=Cc1cc2ccnc2n1 Amb27488076 [1,0,0,0,1,0|1,0,1]=4 5650 B11R2.15 O=Cc1cc2ccsc2o1 Amb27839409 [1,0,0,0,1,0|2,0,0]=4 5651 B11R2.15 O=Cc1cc2ccsc2s1 Amb4140122 [1,0,0,0,1,0|2,0,0]=4 5652 B11R2.15 O=Cc1cc2cscc2s1 Amb24722245 [1,0,0,0,1,0|2,0,0]=4 5653 B11R2.15 O=Cc1cc2sccc2s1 Amb2611536 [1,0,0,0,1,0|2,0,0]=4 5654 B11R2.988 CCC1=Cc2ccccc21 Amb27641412 [1,0,0,0,1,0|1,0,1]=4 5655 B11R2.988 COC1=Cc2ccccc21 Amb27267205 [1,0,0,0,1,0|2,0,0]=4 5656 B11R2.988 N#CC1=Cc2ccccc21 Amb22227852 [1,0,0,0,1,0|1,0,1]=4 5657 B11R2.988 O=CC1Cc2ccccc21 Amb16230472 [1,0,0,0,1,0|0,0,2]=4 5658 B11R2.988 O\N=C1/Cc2ccccc21 Amb3862130 [1,0,0,0,1,0|1,0,1]=4 5659 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 Amb1210069 [0,0,1,0,0,1|2,0,0]=4 5660 B13R1.348 CC(=O)CC(=S)Nc1ccccc1 Amb25190045 [0,0,1,0,0,1|2,0,0]=4 5661 B13R1.348 CC(=O)C\C(C)=C\c1ccccc1 Amb17778970 [0,0,1,0,0,1|2,0,0]=4 5662 B13R1.348 CC(=O)NC(=O)Nc1ccccc1 Amb4017470 [0,0,1,0,0,1|2,0,0]=4 5663 B13R1.348 CC(=O)NC(=S)Nc1ccccc1 Amb2456399 [0,0,1,0,0,1|2,0,0]=4 5664 B13R1.348 CC(=O)N\C(Cl)=C/c1ccccc1 Amb27442451 [0,0,1,0,0,1|2,0,0]=4 5665 B13R1.348 CC(=O)\C=C(/C)Nc1ccccc1 Amb20672001 [0,0,1,0,0,1|1,0,1]=4 5666 B13R1.348 CC(=O)\C=C(\C)Nc1ccccc1 Amb2386561 [0,0,1,0,0,1|1,0,1]=4 5667 B13R1.348 CC(=O)\C=C(\N)Nc1ccccc1 Amb27876049 [0,0,1,0,0,1|2,0,0]=4 5668 B13R1.348 CC(CC(=O)O)Nc1ccccc1 Amb9398389 [0,0,1,0,0,1|0,0,2]=4 5669 B13R1.348 C[C@@H](CC(=O)O)Nc1ccccc1 Amb26519867 [0,0,1,0,0,1|0,0,2]=4 5670 B13R1.348 C[C@H](CC(=O)O)Nc1ccccc1 Amb8397199 [0,0,1,0,0,1|0,0,2]=4 5671 B13R1.348 C\C(=C/C(=O)O)Cc1ccccc1 Amb17233183 [0,0,1,0,0,1|1,0,1]=4 5672 B13R1.348 C\C(=C/C(=O)O)Sc1ccccc1 Amb18130094 [0,0,1,0,0,1|1,0,1]=4 5673 B13R1.348 C\C(=C/c1ccccc1)CC(=O)O Amb17594482 [0,0,1,0,0,1|1,0,0]=3 5674 B13R1.348 C\C(=C/c1ccccc1)CC(N)=O Amb33513125 [0,0,1,0,0,1|2,0,0]=4 5675 B13R1.348 C\C(=C\C(N)=O)Nc1ccccc1 Amb26563719 [0,0,1,0,0,1|1,0,1]=4 5676 B13R1.348 C\C(=C\c1ccccc1)NC(N)=O Amb26490847 [0,0,1,0,0,1|2,0,0]=4 5677 B13R1.348 NC(=O)NC(=O)Nc1ccccc1 Amb2222030 [0,0,1,0,0,1|2,0,0]=4 5678 B13R1.348 NC(=O)NC(=S)Nc1ccccc1 Amb4010079 [0,0,1,0,0,1|2,0,0]=4 5679 B13R1.348 NC(CC(=O)O)Cc1ccccc1 Amb20623358 [0,0,1,0,0,1|0,0,2]=4 5680 B13R1.348 NC(CC(=O)O)Cc1ccccc1 Amb8631754 [0,0,1,0,0,1|0,0,2]=4 5681 B13R1.348 N[C@@H](CC(=O)O)Cc1ccccc1 Amb16184010 [0,0,1,0,0,1|0,0,2]=4 5682 B13R1.348 N[C@@H](CC(=O)O)Cc1ccccc1 Amb2697591 [0,0,1,0,0,1|0,0,2]=4 5683 B13R1.348 N[C@H](CC(=O)O)Cc1ccccc1 Amb2699235 [0,0,1,0,0,1|0,0,2]=4 5684 B13R1.348 N[C@H](CC(=O)O)Cc1ccccc1 Amb8629294 [0,0,1,0,0,1|0,0,2]=4 5685 B13R1.348 O=C(Cl)CC(=O)Nc1ccccc1 Amb27631237 [0,0,1,0,0,1|2,0,0]=4 5686 B13R1.348 O=C(O)CC(=O)Nc1ccccc1 Amb2436726 [0,0,1,0,0,1|1,0,0]=3 5687 B13R1.348 O=C(O)CC(=O)Nc1ccccn1 Amb27875285 [0,0,1,0,0,1|2,0,0]=4 5688 B13R1.348 O=C(O)CC(=O)Nc1cccnc1 Amb18987417 [0,0,1,0,0,1|2,0,0]=4 5689 B13R1.348 O=C(O)CC(=O)Nc1ccncc1 Amb18295926 [0,0,1,0,0,1|2,0,0]=4 5690 B13R1.351 C=C(CCc1ccccc1)C(=O)O Amb18127719 [0,0,1,0,0,1|1,0,0]=3 5691 B13R1.351 C=C(\C=C\c1ccccc1)C(=O)O Amb33081816 [0,0,1,0,0,1|1,0,0]=3 5692 B13R1.351 C=C(\C=C\c1ccccc1)C(C)=O Amb27205181 [0,0,1,0,0,1|2,0,0]=4 5693 B13R1.351 CC(=O)C(=O)NCc1ccccc1 Amb17400597 [0,0,1,0,0,1|2,0,0]=4 5694 B13R1.351 CC(=O)\C(C)=C/Nc1ccccc1 Amb17778142 [0,0,1,0,0,1|1,0,1]=4 5695 B13R1.351 CC(=O)\C(C)=N/Nc1ccccc1 Amb3987265 [0,0,1,0,0,1|1,0,1]=4 5696 B13R1.351 CC(=O)\C(C)=N\Nc1ccccc1 Amb8479546 [0,0,1,0,0,1|1,0,1]=4 5697 B13R1.351 CC(=O)\C(Cl)=C\Nc1ccccc1 Amb28290344 [0,0,1,0,0,1|2,0,0]=4 5698 B13R1.351 CC(=O)\C(Cl)=N/Nc1ccccc1 Amb1980993 [0,0,1,0,0,1|2,0,0]=4 5699 B13R1.351 CC(=O)\C(Cl)=N\Nc1ccccc1 Amb4004716 [0,0,1,0,0,1|2,0,0]=4 5700 B13R1.351 CC(=O)\C(N)=N\Nc1ccccc1 Amb2622246 [0,0,1,0,0,1|2,0,0]=4 5701 B13R1.351 CC(CNc1ccccc1)C(=O)O Amb9400301 [0,0,1,0,0,1|0,0,2]=4 5702 B13R1.351 CC(NCc1ccccc1)C(=O)O Amb10199880 [0,0,1,0,0,1|0,0,2]=4 5703 B13R1.351 CC(NCc1ccccc1)C(=O)O Amb9704488 [0,0,1,0,0,1|0,0,2]=4 5704 B13R1.351 CC(\C=C\c1ccccc1)C(=O)O Amb18127714 [0,0,1,0,0,1|1,0,1]=4 5705 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)O Amb16185448 [0,0,1,0,0,1|0,0,2]=4 5706 B13R1.351 C[C@@H](\C=C\c1ccccc1)C(=O)O Amb27592192 [0,0,1,0,0,1|1,0,1]=4 5707 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O Amb26326642 [0,0,1,0,0,1|0,0,2]=4 5708 B13R1.351 C[C@H](\C=C\c1ccccc1)C(=O)O Amb27179112 [0,0,1,0,0,1|1,0,1]=4 5709 B13R1.351 C\C(=N/Nc1ccccc1)C(=O)O Amb6487380 [0,0,1,0,0,1|0,0,1]=3 5710 B13R1.351 C\C(=N/Nc1ccccc1)C(N)=O Amb4019440 [0,0,1,0,0,1|1,0,1]=4 5711 B13R1.351 C\C(=N/Nc1cccnc1)C(=O)O Amb27608651 [0,0,1,0,0,1|1,0,1]=4 5712 B13R1.351 N=C(NNc1ccccc1)C(N)=O Amb6843468 [0,0,1,0,0,1|2,0,0]=4 5713 B13R1.351 NC(=O)C(=O)NNc1ccccc1 Amb27415736 [0,0,1,0,0,1|2,0,0]=4 5714 B13R1.351 NC(CCc1ccccc1)C(=O)O Amb33309501 [0,0,1,0,0,1|0,0,2]=4 5715 B13R1.351 NC(CCc1ccccc1)C(=O)O Amb4134816 [0,0,1,0,0,1|0,0,2]=4 5716 B13R1.351 NC(CSc1ccccc1)C(=O)O Amb18325246 [0,0,1,0,0,1|0,0,2]=4 5717 B13R1.351 N[C@@H](CCc1ccccc1)C(=O)O Amb6295860 [0,0,1,0,0,1|0,0,2]=4 5718 B13R1.351 N[C@@H](CCc1ccccc1)C(=O)O Amb8393714 [0,0,1,0,0,1|0,0,2]=4 5719 B13R1.351 N[C@@H](CNc1ccccc1)C(=O)O Amb26880836 [0,0,1,0,0,1|0,0,2]=4 5720 B13R1.351 N[C@@H](CSc1ccccc1)C(=O)O Amb6357272 [0,0,1,0,0,1|0,0,2]=4 5721 B13R1.351 N[C@@H](\C=C\c1ccccc1)C(=O)O Amb2694855 [0,0,1,0,0,1|0,0,1]=3 5722 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O Amb6357139 [0,0,1,0,0,1|0,0,2]=4 5723 B13R1.351 N\C(=C\Cc1cccnc1)C(=O)O Amb28370348 [0,0,1,0,0,1|1,0,0]=3 5724 B13R1.351 O=C(O)C(=O)CCc1ccccc1 Amb8391159 [0,0,1,0,0,1|1,0,1]=4 5725 B13R1.351 O=C(O)C(=O)NCc1ccccc1 Amb838961 [0,0,1,0,0,1|1,0,0]=3 5726 B13R1.351 O=C(O)C(=O)NCc1ccccn1 Amb33457520 [0,0,1,0,0,1|2,0,0]=4 5727 B13R1.351 O=C(O)C(=O)NCc1ccccn1 Amb9303999 [0,0,1,0,0,1|2,0,0]=4 5728 B13R1.351 O=C(O)C(=O)NCc1cccnc1 Amb9304022 [0,0,1,0,0,1|2,0,0]=4 5729 B13R1.351 O=C(O)C(=O)NCc1ccncc1 Amb9304023 [0,0,1,0,0,1|2,0,0]=4 5730 B13R1.351 O=C(O)C(=O)NNc1ccccc1 Amb18128574 [0,0,1,0,0,1|1,0,0]=3 5731 B13R1.351 O=C(O)C(=O)OCc1ccccc1 Amb18128558 [0,0,1,0,0,1|1,0,1]=4 5732 B13R1.351 O=C(O)C(=O)\C=C/c1ccccc1 Amb27628477 [0,0,1,0,0,1|1,0,0]=3 5733 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb16192457 [0,0,1,0,0,1|1,0,0]=3 5734 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb4477338 [0,0,1,0,0,1|1,0,0]=3 5735 B13R1.351 O=C(O)C(=O)\C=C\c1ccccn1 Amb17470558 [0,0,1,0,0,1|2,0,0]=4 5736 B13R1.351 O=C(O)C(=O)\C=C\c1cccnc1 Amb17470559 [0,0,1,0,0,1|2,0,0]=4 5737 B13R1.351 O=C(O)C(=O)\C=C\c1ccncc1 Amb17470560 [0,0,1,0,0,1|2,0,0]=4 5738 B13R1.351 O=C(O)C(=S)NCc1ccccc1 Amb27645460 [0,0,1,0,0,1|1,0,0]=3 5739 B13R1.351 O=C(O)C(O)CNc1ccccc1 Amb27179092 [0,0,1,0,0,1|1,0,1]=4 5740 B13R1.351 O=C(O)C(O)\C=C\c1ccccc1 Amb17594531 [0,0,1,0,0,1|1,0,1]=4 5741 B13R1.351 O=C(O)[C@H](O)\C=C\c1ccccc1 Amb26621099 [0,0,1,0,0,1|1,0,1]=4 5742 B13R1.351 O=C(O)\C(Cl)=N\Nc1ccccc1 Amb27232838 [0,0,1,0,0,1|1,0,0]=3 5743 B13R1.158 CC(=O)C\C=C\c1ccccc1F Amb25693688 [0,0,1,0,0,1|2,0,0]=4 5744 B13R1.158 CC(=O)C\C=C\c1ccccc1O Amb25058690 [0,0,1,0,0,1|2,0,0]=4 5745 B13R1.158 CC(=O)N\C=C/c1ccccc1O Amb28430343 [0,0,1,0,0,1|2,0,0]=4 5746 B13R1.158 CC(=O)N\C=C\c1ccccc1Cl Amb25328901 [0,0,1,0,0,1|2,0,0]=4 5747 B13R1.158 CC(=O)N\C=C\c1ccccc1F Amb26033608 [0,0,1,0,0,1|2,0,0]=4 5748 B13R1.158 CC(=O)\C=C/Nc1ccccc1N Amb27402608 [0,0,1,0,0,1|1,0,0]=3 5749 B13R1.158 CC(=O)\C=C\Cc1ccccc1N Amb27832813 [0,0,1,0,0,1|1,0,0]=3 5750 B13R1.158 CC(=O)\C=C\Nc1ccccc1N Amb27185977 [0,0,1,0,0,1|1,0,0]=3 5751 B13R1.158 CC(=O)\C=C\Nc1ccccc1O Amb27471697 [0,0,1,0,0,1|2,0,0]=4 5752 B13R1.158 CC(=O)\C=N\Nc1ccccc1C Amb26923877 [0,0,1,0,0,1|1,0,1]=4 5753 B13R1.158 Cc1ccccc1CNCC(=O)O Amb10609879 [0,0,1,0,0,1|0,0,2]=4 5754 B13R1.158 Cc1ccccc1CNCC(=O)O Amb2372498 [0,0,1,0,0,1|0,0,2]=4 5755 B13R1.158 Cc1ccccc1NCCC(=O)O Amb382805 [0,0,1,0,0,1|0,0,2]=4 5756 B13R1.158 Cc1ccccc1S\C=C\C(=O)O Amb17595110 [0,0,1,0,0,1|1,0,0]=3 5757 B13R1.158 Cc1ccccc1\C=C\CC(=O)O Amb25362135 [0,0,1,0,0,1|1,0,0]=3 5758 B13R1.158 Cc1cccnc1N\C=C\C(=O)O Amb2525893 [0,0,1,0,0,1|1,0,1]=4 5759 B13R1.158 Cc1cccnc1S\C=C\C(=O)O Amb29879816 [0,0,1,0,0,1|2,0,0]=4 5760 B13R1.158 Nc1ccccc1C#CCC(=O)O Amb28253025 [0,0,1,0,0,1|0,0,2]=4 5761 B13R1.158 Nc1ccccc1CCCC(=O)O Amb2697307 [0,0,1,0,0,1|0,0,2]=4 5762 B13R1.158 Nc1ccccc1CCCC(=O)O Amb32789702 [0,0,1,0,0,1|0,0,2]=4 5763 B13R1.158 Nc1ccccc1OCCC(=O)O Amb22728037 [0,0,1,0,0,1|0,0,2]=4 5764 B13R1.158 Nc1ccccc1S\C=C\C(=O)O Amb28061398 [0,0,1,0,0,1|0,0,0]=2 5765 B13R1.158 Nc1cccnc1S\C=C\C(=O)O Amb27946117 [0,0,1,0,0,1|1,0,0]=3 5766 B13R1.158 O=C(O)C=C=Cc1ccccc1Cl Amb27845403 [0,0,1,0,0,1|1,0,0]=3 5767 B13R1.158 O=C(O)CCNc1ccccc1Br Amb7766524 [0,0,1,0,0,1|1,0,1]=4 5768 B13R1.158 O=C(O)CCNc1ccccc1Cl Amb2209165 [0,0,1,0,0,1|1,0,1]=4 5769 B13R1.158 O=C(O)CCNc1ccccc1F Amb2209161 [0,0,1,0,0,1|1,0,1]=4 5770 B13R1.158 O=C(O)CNCc1ccccc1Br Amb1111282 [0,0,1,0,0,1|1,0,1]=4 5771 B13R1.158 O=C(O)CNCc1ccccc1Cl Amb7766478 [0,0,1,0,0,1|1,0,1]=4 5772 B13R1.158 O=C(O)CNCc1ccccc1F Amb7761999 [0,0,1,0,0,1|1,0,1]=4 5773 B13R1.158 O=C(O)CNCc1ccccc1I Amb21861671 [0,0,1,0,0,1|1,0,1]=4 5774 B13R1.158 O=C(O)C\C=C\c1ccccc1F Amb20622523 [0,0,1,0,0,1|1,0,0]=3 5775 B13R1.158 O=C(O)C\N=C\c1ccccc1O Amb26481398 [0,0,1,0,0,1|1,0,1]=4 5776 B13R1.158 O=C(O)\C=C\Oc1ccccc1Cl Amb26655854 [0,0,1,0,0,1|1,0,0]=3 5777 B13R1.158 O=C(O)\C=C\Sc1ccccc1Br Amb27960991 [0,0,1,0,0,1|1,0,0]=3 5778 B13R1.158 O=C(O)\C=C\Sc1ccccc1Cl Amb27247837 [0,0,1,0,0,1|1,0,0]=3 5779 B13R1.158 O=C(O)\C=N\Nc1ccccc1Cl Amb27401936 [0,0,1,0,0,1|1,0,0]=3 5780 B13R1.74 C=C\C=C\c1ccc(C(=O)O)cc1 Amb18127223 [0,0,1,0,0,1|1,0,0]=3 5781 B13R1.74 C=C\C=C\c1ccc(C(=O)O)nc1 Amb27984764 [0,0,1,0,0,1|0,0,1]=3 5782 B13R1.74 O=C\C=C\c1ccc(C(=O)O)cc1 Amb27179337 [0,0,1,0,0,1|2,0,0]=4 5783 B13R2.57 C=Cc1ccc2ccccc2c1 Amb8394029 [1,0,0,0,0,1|2,0,0]=4 5784 B13R2.57 C=Cc1ccc2ccccc2n1 Amb10071967 [1,0,0,0,0,1|1,0,1]=4 5785 B13R2.57 C=Cc1cnc2ccccc2c1 Amb8394032 [1,0,0,0,0,1|1,0,1]=4 5786 B13R2.57 C=Cc1cnc2ccccc2n1 Amb24085078 [1,0,0,0,0,1|1,0,1]=4 5787 B13R2.57 N=Cc1ccc2ccccc2n1 Amb27642853 [1,0,0,0,0,1|1,0,1]=4 5788 B13R2.57 O=CC1=CNc2ccccc2C1 Amb25152519 [1,0,0,0,0,1|0,0,1]=3 5789 B13R2.57 O=CC1=COc2ccccc2O1 Amb25348637 [1,0,0,0,0,1|1,0,0]=3 5790 B13R2.57 O=CC1=CSc2ccccc2S1 Amb28239532 [1,0,0,0,0,1|1,0,0]=3 5791 B13R2.57 O=CC1=Cc2ccccc2OC1 Amb1158025 [1,0,0,0,0,1|1,0,0]=3 5792 B13R2.57 O=CC1=Cc2ccccc2SS1 Amb27409512 [1,0,0,0,0,1|1,0,0]=3 5793 B13R2.57 O=Cc1cc2ccccc2cn1 Amb8010573 [1,0,0,0,0,1|0,0,1]=3 5794 B13R2.57 O=Cc1cc2cccnc2cn1 Amb31379099 [1,0,0,0,0,1|1,0,1]=4 5795 B13R2.57 O=Cc1ccc2ccccc2c1 Amb3939951 [1,0,0,0,0,1|1,0,0]=3 5796 B13R2.57 O=Cc1ccc2ccccc2n1 Amb533663 [1,0,0,0,0,1|0,0,1]=3 5797 B13R2.57 O=Cc1ccc2cccnc2c1 Amb2548373 [1,0,0,0,0,1|2,0,0]=4 5798 B13R2.57 O=Cc1ccc2cccnc2n1 Amb1323330 [1,0,0,0,0,1|1,0,1]=4 5799 B13R2.57 O=Cc1ccc2ccncc2c1 Amb8010572 [1,0,0,0,0,1|2,0,0]=4 5800 B13R2.57 O=Cc1ccc2ccncc2n1 Amb22498133 [1,0,0,0,0,1|1,0,1]=4 5801 B13R2.57 O=Cc1ccc2cnccc2c1 Amb8010571 [1,0,0,0,0,1|2,0,0]=4 5802 B13R2.57 O=Cc1ccc2cnccc2n1 Amb3931332 [1,0,0,0,0,1|1,0,1]=4 5803 B13R2.57 O=Cc1ccc2ncccc2c1 Amb1266161 [1,0,0,0,0,1|2,0,0]=4 5804 B13R2.57 O=Cc1ccc2ncccc2n1 Amb25292132 [1,0,0,0,0,1|1,0,1]=4 5805 B13R2.57 O=Cc1cnc2ccccc2c1 Amb1995106 [1,0,0,0,0,1|0,0,1]=3 5806 B13R2.57 O=Cc1cnc2ccccc2n1 Amb6315572 [1,0,0,0,0,1|0,0,1]=3 5807 B13R2.57 O=Cc1cnc2cccnc2c1 Amb13890074 [1,0,0,0,0,1|1,0,1]=4 5808 B13R2.57 O=Cc1cnc2cccnc2n1 Amb27616908 [1,0,0,0,0,1|1,0,1]=4 5809 B13R2.57 O=Cc1cnc2ccncc2c1 Amb27846960 [1,0,0,0,0,1|1,0,1]=4 5810 B13R2.57 O=Cc1cnc2ncccc2c1 Amb8010589 [1,0,0,0,0,1|1,0,1]=4 5811 B13R2.57 O=Nc1ccc2ccccc2c1 Amb27170669 [1,0,0,0,0,1|2,0,0]=4 5812 B13R2.57 OCC1=CNc2ccccc2N1 Amb24309070 [1,0,0,0,0,1|0,0,1]=3 5813 B13R2.57 OCC1=Cc2ccccc2OC1 Amb2723365 [1,0,0,0,0,1|1,0,1]=4 5814 B13R2.57 OCC1=Cc2ccccc2SS1 Amb27589744 [1,0,0,0,0,1|1,0,1]=4 5815 B13R2.57 OCc1cc2ccccc2cn1 Amb8439028 [1,0,0,0,0,1|0,0,2]=4 5816 B13R2.57 OCc1ccc2ccccc2c1 Amb2389960 [1,0,0,0,0,1|1,0,1]=4 5817 B13R2.57 OCc1ccc2ccccc2n1 Amb1154605 [1,0,0,0,0,1|0,0,2]=4 5818 B13R2.57 OCc1cnc2ccccc2c1 Amb1995109 [1,0,0,0,0,1|0,0,2]=4 5819 B13R2.57 OCc1cnc2ccccc2c1 Amb20668047 [1,0,0,0,0,1|0,0,2]=4 5820 B13R2.57 OCc1cnc2ccccc2n1 Amb33532423 [1,0,0,0,0,1|0,0,2]=4 5821 B13R2.57 O\N=C1/COc2ccccc2N1 Amb27174281 [1,0,0,0,0,1|1,0,1]=4 5822 B13R2.57 O\N=C1\CNc2ccccc2N1 Amb27751194 [1,0,0,0,0,1|1,0,1]=4 5823 B13R2.543 O=C(O)Cc1cc2occc2s1 Amb18823815 [0,0,0,0,1,1|2,0,0]=4 5824 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 Amb33312492 [0,0,0,0,0,2|2,0,0]=4 5825 B15R2.1660 CC(=O)CSc1cc2ccccc2o1 Amb28196636 [0,0,0,0,0,2|2,0,0]=4 5826 B15R2.1660 CC(=O)CSc1cc2ccccc2s1 Amb28051713 [0,0,0,0,0,2|2,0,0]=4 5827 B15R2.1660 CC(=O)\C=C\c1cc2ccccc2s1 Amb33312493 [0,0,0,0,0,2|2,0,0]=4 5828 B15R2.1660 NC(=O)\C=C\c1cc2ccccc2s1 Amb26037195 [0,0,0,0,0,2|2,0,0]=4 5829 B15R2.1660 O=C(O)C#Cc1cc2ccccc2s1 Amb28423557 [0,0,0,0,0,2|1,0,0]=3 5830 B15R2.1660 O=C(O)C#Cc1cc2cnccc2o1 Amb23539075 [0,0,0,0,0,2|2,0,0]=4 5831 B15R2.1660 O=C(O)C#Cc1nc2ccccc2s1 Amb27754039 [0,0,0,0,0,2|1,0,1]=4 5832 B15R2.1660 O=C(O)CCC1Nc2ccccc2S1 Amb27808569 [0,0,0,0,0,2|1,0,1]=4 5833 B15R2.1660 O=C(O)CCc1cc2ccccc2o1 Amb450081 [0,0,0,0,0,2|1,0,0]=3 5834 B15R2.1660 O=C(O)CCc1cc2ccccc2s1 Amb18655531 [0,0,0,0,0,2|1,0,0]=3 5835 B15R2.1660 O=C(O)CCc1cc2ccccn2c1 Amb17401254 [0,0,0,0,0,2|2,0,0]=4 5836 B15R2.1660 O=C(O)CCc1cc2ccccn2n1 Amb18819597 [0,0,0,0,0,2|1,0,1]=4 5837 B15R2.1660 O=C(O)CCc1cc2ccncc2s1 Amb27957972 [0,0,0,0,0,2|2,0,0]=4 5838 B15R2.1660 O=C(O)CCc1cc2cnccc2o1 Amb23539079 [0,0,0,0,0,2|2,0,0]=4 5839 B15R2.1660 O=C(O)CCc1cc2cnccc2s1 Amb27643557 [0,0,0,0,0,2|2,0,0]=4 5840 B15R2.1660 O=C(O)CCc1cn2ccccc2n1 Amb10607506 [0,0,0,0,0,2|1,0,1]=4 5841 B15R2.1660 O=C(O)CCc1cn2ccccc2n1 Amb22586818 [0,0,0,0,0,2|1,0,1]=4 5842 B15R2.1660 O=C(O)CCc1nc2ccccc2o1 Amb1215750 [0,0,0,0,0,2|1,0,1]=4 5843 B15R2.1660 O=C(O)CCc1nc2ccccc2s1 Amb1103242 [0,0,0,0,0,2|1,0,1]=4 5844 B15R2.1660 O=C(O)CCn1cc2ccccc2c1 Amb18820464 [0,0,0,0,0,2|2,0,0]=4 5845 B15R2.1660 O=C(O)CNc1nc2ccccc2s1 Amb4025841 [0,0,0,0,0,2|1,0,1]=4 5846 B15R2.1660 O=C(O)COc1cc2ccccc2s1 Amb33312159 [0,0,0,0,0,2|1,0,0]=3 5847 B15R2.1660 O=C(O)COc1cc2ccccn2n1 Amb23541506 [0,0,0,0,0,2|1,0,1]=4 5848 B15R2.1660 O=C(O)COc1cn2ccccc2n1 Amb33446722 [0,0,0,0,0,2|1,0,1]=4 5849 B15R2.1660 O=C(O)COc1nc2ccccc2s1 Amb10605500 [0,0,0,0,0,2|1,0,1]=4 5850 B15R2.1660 O=C(O)CSc1nc2ccccc2o1 Amb1017012 [0,0,0,0,0,2|1,0,1]=4 5851 B15R2.1660 O=C(O)CSc1nc2ccccc2s1 Amb1209600 [0,0,0,0,0,2|1,0,1]=4 5852 B15R2.1660 O=C(O)SCc1nc2ccccc2o1 Amb28196137 [0,0,0,0,0,2|1,0,1]=4 5853 B15R2.1660 O=C(O)\C=C\c1cc2ccccc2o1 Amb488377 [0,0,0,0,0,2|1,0,0]=3 5854 B15R2.1660 O=C(O)\C=C\c1cc2ccccc2s1 Amb24616431 [0,0,0,0,0,2|1,0,0]=3 5855 B15R2.1660 O=C(O)\C=C\c1cn2ccccc2n1 Amb32953282 [0,0,0,0,0,2|1,0,1]=4 5856 B15R2.1660 O=C(O)\C=C\c1nc2ccccc2o1 Amb34916247 [0,0,0,0,0,2|1,0,1]=4 5857 B15R2.1660 O=C(O)\C=C\c1nc2ccccc2s1 Amb33992808 [0,0,0,0,0,2|1,0,1]=4 5858 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 Amb27842352 [0,0,0,0,0,2|1,0,1]=4 5859 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 Amb6674796 [0,0,0,0,0,2|2,0,0]=4 5860 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 Amb9205983 [0,0,0,0,0,2|1,0,1]=4 5861 B15R2.1668 CC(=O)Cc1cnc2ccccc2c1 Amb25819490 [0,0,0,0,0,2|1,0,1]=4 5862 B15R2.1668 CC(=O)Cc1cnc2ccccc2n1 Amb18822199 [0,0,0,0,0,2|1,0,1]=4 5863 B15R2.1668 CC(=O)NC1=Cc2ccccc2OC1 Amb28240276 [0,0,0,0,0,2|2,0,0]=4 5864 B15R2.1668 CC(=O)NC1=Nc2ccccc2CN1 Amb25664350 [0,0,0,0,0,2|2,0,0]=4 5865 B15R2.1668 CC(=O)Nc1cc2ccccc2nn1 Amb26522176 [0,0,0,0,0,2|1,0,1]=4 5866 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 Amb967535 [0,0,0,0,0,2|2,0,0]=4 5867 B15R2.1668 CC(=O)Nc1ccc2ccccc2n1 Amb404260 [0,0,0,0,0,2|1,0,1]=4 5868 B15R2.1668 CC(=O)Oc1cc2ccccc2cn1 Amb27642977 [0,0,0,0,0,2|1,0,1]=4 5869 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 Amb4065335 [0,0,0,0,0,2|2,0,0]=4 5870 B15R2.1668 NC(=O)Cc1cc2ccccc2cn1 Amb28195308 [0,0,0,0,0,2|1,0,1]=4 5871 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 Amb33551576 [0,0,0,0,0,2|2,0,0]=4 5872 B15R2.1668 NC(=O)Nc1ccc2ccccc2c1 Amb2613780 [0,0,0,0,0,2|2,0,0]=4 5873 B15R2.1668 O=C(Cl)Cc1ccc2ccccc2c1 Amb2689824 [0,0,0,0,0,2|2,0,0]=4 5874 B15R2.1668 O=C(Cl)Nc1ccc2ccccc2c1 Amb35637030 [0,0,0,0,0,2|2,0,0]=4 5875 B15R2.1668 O=C(Cl)Nc1cnc2ccccc2c1 Amb35625503 [0,0,0,0,0,2|1,0,1]=4 5876 B15R2.1668 O=C(Cl)Oc1ccc2ccccc2c1 Amb19930198 [0,0,0,0,0,2|2,0,0]=4 5877 B15R2.1668 O=C(O)CC1=Cc2ccccc2CC1 Amb18649884 [0,0,0,0,0,2|1,0,0]=3 5878 B15R2.1668 O=C(O)CC1CCc2ccccc2N1 Amb2695229 [0,0,0,0,0,2|0,0,2]=4 5879 B15R2.1668 O=C(O)CC1CCc2ccccc2N1 Amb33299327 [0,0,0,0,0,2|0,0,2]=4 5880 B15R2.1668 O=C(O)CC1CNc2ccccc2C1 Amb18818511 [0,0,0,0,0,2|0,0,2]=4 5881 B15R2.1668 O=C(O)CC1CNc2ccccc2S1 Amb7969527 [0,0,0,0,0,2|1,0,1]=4 5882 B15R2.1668 O=C(O)CC1COc2ccccc2N1 Amb18559494 [0,0,0,0,0,2|0,0,2]=4 5883 B15R2.1668 O=C(O)CC1CSc2ccccc2N1 Amb18636502 [0,0,0,0,0,2|0,0,2]=4 5884 B15R2.1668 O=C(O)CC1Cc2ccccc2CN1 Amb22000822 [0,0,0,0,0,2|0,0,2]=4 5885 B15R2.1668 O=C(O)CC1Cc2ccccc2CN1 Amb2698163 [0,0,0,0,0,2|0,0,2]=4 5886 B15R2.1668 O=C(O)C[C@@H]1Cc2ccccc2CN1 Amb22746253 [0,0,0,0,0,2|0,0,2]=4 5887 B15R2.1668 O=C(O)C[C@@H]1Cc2ccccc2CN1 Amb25793613 [0,0,0,0,0,2|0,0,2]=4 5888 B15R2.1668 O=C(O)C[C@H]1Cc2ccccc2CN1 Amb16232540 [0,0,0,0,0,2|0,0,2]=4 5889 B15R2.1668 O=C(O)C[C@H]1Cc2ccccc2CN1 Amb2700194 [0,0,0,0,0,2|0,0,2]=4 5890 B15R2.1668 O=C(O)C[n+]1ccc2ccccc2c1 Amb2543557 [0,0,0,0,0,2|2,0,0]=4 5891 B15R2.1668 O=C(O)Cc1cc2ccccc2cn1 Amb18191147 [0,0,0,0,0,2|0,0,1]=3 5892 B15R2.1668 O=C(O)Cc1ccc2ccccc2c1 Amb1195907 [0,0,0,0,0,2|1,0,0]=3 5893 B15R2.1668 O=C(O)Cc1ccc2ccccc2n1 Amb20247742 [0,0,0,0,0,2|0,0,1]=3 5894 B15R2.1668 O=C(O)Cc1ccc2ccccc2n1 Amb4303937 [0,0,0,0,0,2|0,0,1]=3 5895 B15R2.1668 O=C(O)Cc1ccc2cccnc2c1 Amb18352976 [0,0,0,0,0,2|2,0,0]=4 5896 B15R2.1668 O=C(O)Cc1ccc2cccnc2n1 Amb28290172 [0,0,0,0,0,2|1,0,1]=4 5897 B15R2.1668 O=C(O)Cc1ccc2cnccc2c1 Amb18352828 [0,0,0,0,0,2|2,0,0]=4 5898 B15R2.1668 O=C(O)Cc1ccc2ncccc2c1 Amb33528383 [0,0,0,0,0,2|2,0,0]=4 5899 B15R2.1668 O=C(O)Cc1cnc2ccccc2c1 Amb18285913 [0,0,0,0,0,2|0,0,1]=3 5900 B15R2.1668 O=C(O)Cc1cnc2ccccc2c1 Amb33527638 [0,0,0,0,0,2|0,0,1]=3 5901 B15R2.1668 O=C(O)Cc1cnc2ccccc2n1 Amb18821189 [0,0,0,0,0,2|0,0,1]=3 5902 B15R2.1668 O=C(O)Nc1ccc2ccccc2n1 Amb24061357 [0,0,0,0,0,2|0,0,1]=3 5903 B15R2.1668 O=C([O-])Cc1ccc2ccccc2n1 Amb20622814 [0,0,0,0,0,2|0,0,2]=4 5904 B15R2.1668 O=C([O-])Cc1ccc2ccccc2n1 Amb23400916 [0,0,0,0,0,2|0,0,2]=4 5905 B15R2.83111 CC(=O)Nc1cc2cccccc2c1 Amb27636902 [0,0,0,0,0,2|2,0,0]=4 5906 B15R2.1237 NC(=O)C1=Cc2ccccc2SCC1 Amb27248317 [0,0,0,0,0,2|2,0,0]=4 5907 B15R2.1237 O=C(O)C1=CC=Cc2ccccc2C1 Amb27232905 [0,0,0,0,0,2|1,0,0]=3 5908 B15R2.1237 O=C(O)C1=Cc2ccccc2CCC1 Amb25808770 [0,0,0,0,0,2|1,0,0]=3 5909 B15R2.1237 O=C(O)C1=Cc2ccccc2OC=C1 Amb899755 [0,0,0,0,0,2|1,0,0]=3 5910 B15R2.1237 O=C(O)C1CC=Cc2ccccc2C1 Amb27983841 [0,0,0,0,0,2|1,0,1]=4 5911 B15R2.1237 O=C(O)C1CCCc2ccccc2N1 Amb18818503 [0,0,0,0,0,2|0,0,2]=4 5912 B15R2.1237 O=C(O)C1CCNc2ccccc2C1 Amb18818514 [0,0,0,0,0,2|0,0,2]=4 5913 B15R2.1237 O=C(O)C1CCNc2ccccc2C1 Amb35788944 [0,0,0,0,0,2|0,0,2]=4 5914 B15R2.1237 O=C(O)C1Cc2ccccc2CCN1 Amb32951202 [0,0,0,0,0,2|0,0,2]=4 5915 B15R2.1245 NC(=O)C1=CCc2ccccc2C=C1 Amb27228858 [0,0,0,0,0,2|2,0,0]=4 5916 B15R2.1245 O=C(O)C1=CCc2ccccc2C=C1 Amb28118884 [0,0,0,0,0,2|1,0,0]=3 5917 B15R2.1245 O=C(O)C1=NNc2ccccc2C=C1 Amb27607663 [0,0,0,0,0,2|0,0,0]=2 5918 B15R2.1245 O=C(O)C1CCc2ccccc2CN1 Amb32670049 [0,0,0,0,0,2|0,0,2]=4 5919 B15R2.1245 O=C(O)[C@@H]1CSc2ccccc2CN1 Amb28401388 [0,0,0,0,0,2|0,0,2]=4 5920 B15R2.1245 O=[N+]([O-])C1=CNc2ccccc2N=C1 Amb9809956 [0,0,0,0,0,2|1,0,1]=4 5921 B15R2.1245 O=[N+]([O-])C1=NNc2ccccc2C=C1 Amb27423560 [0,0,0,0,0,2|1,0,1]=4