0 B15R2.61364 CC1(C)CC(=O)c2c(Br)cccc2O1 Amb18693145 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.61364 CC1(C)CC(=O)c2c(O)cccc2O1 Amb18651073 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.61364 CC1(C)Cc2cccc(O)c2C(=O)O1 Amb25320061 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.61364 Cc1cccc2OC(C)(C)CC(=O)c12 Amb18819327 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.8039 CC1(C)Cc2cccc(N)c2CC1 Amb25712172 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.28480 C[C@@H]1Cc2cccc(O)c2C(=O)C1 Amb25303282 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.29496 CC1(C)CC(=O)c2ccccc2N1 Amb22754743 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.29496 CC1(C)CC(=O)c2ccccc2S1 Amb22456889 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.29496 CC1(C)Cc2[n]c[n]cc2C(=O)C1 Amb18185990 [1,0,0,0,0,0|0,0,0]=1 9 B14R2.29496 CC1(C)Cc2[n]c[n]cc2C(N)C1 Amb18278107 [1,0,0,0,0,0|1,0,1]=3 10 B14R2.29496 CC1(C)Cc2[n]cccc2C(=O)C1 Amb22371961 [1,0,0,0,0,0|1,0,0]=2 11 B14R2.29496 CC1(C)Cc2[n]cccc2C(N)C1 Amb23536329 [1,0,0,0,0,0|2,0,1]=4 12 B14R2.29496 CC1(C)Cc2[n]cccc2C(O)C1 Amb22371962 [1,0,0,0,0,0|1,0,2]=4 13 B14R2.29496 CC1(C)Cc2ccccc2C(=O)C1 Amb24491402 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.29496 CC1(C)NC(=O)c2ccc[n]c2N1 Amb25799639 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.29496 CC1(O)Cc2ccccc2C(=O)C1 Amb24676889 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.29496 O=C1CC(C)(C)Oc2c1cccc2 Amb1397720 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.128806 CC1=COC=2CC(C)(C)CC(=O)C2C1=O Amb21913864 [0,1,0,0,0,0|3,0,0]=4 18 B16R2.392063 CC1(C)Cc2[n]c(Cl)cc(Cl)c2C(=O)C1 Amb22727884 [0,1,0,0,0,0|2,0,0]=3 19 B16R2.392063 CC1=CC(=O)C2=C(CC(C)(C)CC2=O)O1 Amb20030843 [0,1,0,0,0,0|3,0,0]=4 20 B16R2.392063 CC1=CC(=O)OC=2CC(C)(C)CC(=O)C12 Amb19667922 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.119 CC(C)(C)Nc1[n]c[n]c(Cl)c1C=O Amb25142357 [0,0,1,0,0,0|2,0,0]=3 22 B14R1.119 CC(C)(C)Sc1[n]c[n]c(Cl)c1C=O Amb25731196 [0,0,1,0,0,0|2,0,0]=3 23 B14R1.119 CCc1c(N)[n]c[n]c1NC(C)(C)C Amb24641078 [0,0,1,0,0,0|2,0,1]=4 24 B14R1.119 CCc1c(N)[n]c[n]c1OC(C)(C)C Amb24436219 [0,0,1,0,0,0|2,0,1]=4 25 B14R1.119 CCc1c(N)[n]c[n]c1SC(C)(C)C Amb25131358 [0,0,1,0,0,0|2,0,1]=4 26 B14R1.119 COc1c(N)[n]c[n]c1SC(C)(C)C Amb24698554 [0,0,1,0,0,0|3,0,0]=4 27 B14R1.4451 CC(C)(C)CC(=O)c1c[n]ccc1N Amb25093588 [0,0,1,0,0,0|1,0,0]=2 28 B14R1.4451 CC(C)(C)CC(N)c1c[n]ccc1N Amb25338758 [0,0,1,0,0,0|2,0,1]=4 29 B14R1.4451 CC(C)(C)CC(N)c1ccc[n]c1N Amb25837816 [0,0,1,0,0,0|2,0,1]=4 30 B14R1.4451 CC(C)(C)C[C@@H](N)c1c[n]ccc1N Amb25085231 [0,0,1,0,0,0|2,0,1]=4 31 B14R1.4451 CC(C)(C)C[C@H](N)c1ccc[n]c1N Amb25037551 [0,0,1,0,0,0|2,0,1]=4 32 B14R1.4451 CC(C)(C)NC(=O)c1[n]cc[n]c1N Amb24415238 [0,0,1,0,0,0|3,0,0]=4 33 B14R1.4451 CC(C)(C)NC(=O)c1c[n]ccc1Cl Amb25314709 [0,0,1,0,0,0|3,0,0]=4 34 B14R1.4451 CC(C)(C)NC(=O)c1c[n]ccc1N Amb24399486 [0,0,1,0,0,0|2,0,0]=3 35 B14R1.4451 CC(C)(C)NC(=O)c1ccc[n]c1F Amb25325752 [0,0,1,0,0,0|3,0,0]=4 36 B14R1.4451 CC(C)(C)NC(=O)c1ccc[n]c1N Amb18959181 [0,0,1,0,0,0|2,0,0]=3 37 B14R1.4451 CC(C)(C)OC(=O)c1[n]cc[n]c1N Amb25753704 [0,0,1,0,0,0|3,0,0]=4 38 B14R1.4451 CC(C)(C)OC(=O)c1ccc[n]c1Cl Amb19959722 [0,0,1,0,0,0|3,0,0]=4 39 B14R1.4451 CC(C)(C)OC(=O)c1ccc[n]c1N Amb23598296 [0,0,1,0,0,0|2,0,0]=3 40 B14R1.4451 CC(C)(C)OC(=O)c1ccc[n]c1O Amb24411812 [0,0,1,0,0,0|3,0,0]=4 41 B14R1.4451 CC(C)(C)OC(=O)c1ccccc1N Amb18289540 [0,0,1,0,0,0|3,0,0]=4 42 B14R1.4451 CC(C)(N)CC(=O)c1c[n]ccc1N Amb25340141 [0,0,1,0,0,0|2,0,0]=3 43 B14R1.4451 CN(CC(C)(C)C)c1c[n]ccc1N Amb25693677 [0,0,1,0,0,0|3,0,0]=4 44 B14R1.4451 Cc1[n]cccc1C(=O)NC(C)(C)C Amb24443395 [0,0,1,0,0,0|3,0,0]=4 45 B14R1.4451 Cc1[n]cccc1C(=O)OC(C)(C)C Amb25780210 [0,0,1,0,0,0|3,0,0]=4 46 B14R1.4451 Cc1cc[n]cc1C(=O)CC(C)(C)C Amb25330170 [0,0,1,0,0,0|2,0,0]=3 47 B14R1.4451 Cc1cc[n]cc1C(=O)CC(C)(C)N Amb25673023 [0,0,1,0,0,0|3,0,0]=4 48 B14R1.4451 Cc1cc[n]cc1C(=O)OC(C)(C)C Amb24407149 [0,0,1,0,0,0|3,0,0]=4 49 B14R1.4926 CC(C)CC=1N=CNC(=O)C1C(O)=O Amb25135382 [0,0,1,0,0,0|2,0,1]=4 50 B14R1.4926 CC(C)Cc1[n]c[n]c(N)c1C(O)=O Amb25170231 [0,0,1,0,0,0|1,0,0]=2 51 B14R1.4926 CC(C)Cc1[n]ccc(N)c1[N+]([O-])=O Amb25094047 [0,0,1,0,0,0|3,0,0]=4 52 B14R1.4926 CC(C)Sc1[n]c[n]c(N)c1[N+]([O-])=O Amb25068215 [0,0,1,0,0,0|3,0,0]=4 53 B14R1.4926 CC(Nc1ncnc(c1[N+](=O)[O-])N)C Amb1308441 [0,0,1,0,0,0|3,0,0]=4 54 B14R1.5958 CC(C)=CC(=O)c1c(N)[n]ccc1C Amb25169832 [0,0,1,0,0,0|1,0,2]=4 55 B14R1.5958 CC(C)CC(=O)c1c(C)cccc1C Amb25041472 [0,0,1,0,0,0|3,0,0]=4 56 B14R1.5958 CC(C)NC(=O)c1c(C)cc[n]c1C Amb25103359 [0,0,1,0,0,0|3,0,0]=4 57 B14R1.5958 CC(NC(=O)c1c(C)cccc1N)C Amb1128980 [0,0,1,0,0,0|3,0,0]=4 58 B14R1.5958 Cc1cc[n]c(Cl)c1C(=O)NC(C)C Amb23452777 [0,0,1,0,0,0|3,0,0]=4 59 B14R1.5958 Cc1cc[n]c(Cl)c1C(=O)OC(C)C Amb25285627 [0,0,1,0,0,0|3,0,0]=4 60 B14R1.5958 Cc1cc[n]c(N)c1C(=O)CC(C)C Amb24729034 [0,0,1,0,0,0|1,0,0]=2 61 B14R1.5958 Cc1cc[n]c(N)c1C(=O)CN(C)C Amb25055549 [0,0,1,0,0,0|2,0,0]=3 62 B14R1.5958 Cc1cc[n]c(N)c1C(C)CC(C)C Amb25819461 [0,0,1,0,0,0|2,0,1]=4 63 B14R1.5958 Cc1cc[n]c(N)c1C(N)CC(C)C Amb25809487 [0,0,1,0,0,0|2,0,1]=4 64 B14R1.5958 Cc1cc[n]c(N)c1C(O)CC(C)C Amb25749706 [0,0,1,0,0,0|1,0,2]=4 65 B14R1.5958 Cc1cccc(Br)c1C(=O)CC(C)C Amb24759834 [0,0,1,0,0,0|3,0,0]=4 66 B14R1.5958 Cc1cccc(Cl)c1C(=O)CC(C)C Amb25332439 [0,0,1,0,0,0|3,0,0]=4 67 B14R1.5958 Cc1cccc(N)c1C(=O)OC(C)C Amb18979296 [0,0,1,0,0,0|3,0,0]=4 68 B14R1.19481 CCC(=C1C(=O)CC(CC1=O)(C)C)N Amb1151998 [0,0,1,0,0,0|2,0,1]=4 69 B14R1.19481 O\N=C(\C1=C(O)CC(CC1=O)(C)C)/C Amb2500070 [0,0,1,0,0,0|3,0,0]=4 70 B14R2.8052 CC1(C)CC(=O)c2c(Br)cccc12 Amb24637631 [0,0,0,0,1,0|3,0,0]=4 71 B14R2.8052 CC1(C)CC(=O)c2c(Cl)cccc12 Amb24691096 [0,0,0,0,1,0|3,0,0]=4 72 B14R2.8052 CC1(C)OC(=O)c2c(Br)[n]ccc12 Amb23537345 [0,0,0,0,1,0|3,0,0]=4 73 B14R2.8052 CC1(C)OC(=O)c2c(N)[n]ccc12 Amb23505772 [0,0,0,0,1,0|2,0,0]=3 74 B14R2.8052 O=C1OC(c2c1c(Cl)ncc2)(C)C Amb13951784 [0,0,0,0,1,0|3,0,0]=4 75 B14R2.24368 CC1(C)CC=2OCC(=C)C2C(=O)C1 Amb24495026 [0,0,0,0,1,0|2,0,1]=4 76 B14R2.24368 CC1(C)CC=2SSC(=S)C2C(=O)C1 Amb24116245 [0,0,0,0,1,0|3,0,0]=4 77 B14R2.24368 CC1(C)Cc2[n]oc(N)c2C(=O)C1 Amb25144128 [0,0,0,0,1,0|1,0,0]=2 78 B14R2.24368 Cc1c[nH]c2CC(C)(C)CC(=O)c12 Amb21962989 [0,0,0,0,1,0|1,0,1]=3 79 B14R2.24368 O=C1CC(C)(C)Cc2c1c(C)n[nH]2 Amb1481180 [0,0,0,0,1,0|1,0,1]=3 80 B14R2.24368 O=C1CC(C)(C)Cc2c1c(C)no2 Amb2227411 [0,0,0,0,1,0|2,0,0]=3 81 B14R2.28486 CC1(C)Cc2cccc(Br)c2C1=O Amb25245090 [0,0,0,0,1,0|3,0,0]=4 82 B14R2.28486 CC1(C)Cc2cccc(F)c2C1=O Amb25127719 [0,0,0,0,1,0|3,0,0]=4 83 B14R2.28486 Cc1cccc2CC(C)(C)C(=O)c12 Amb25370876 [0,0,0,0,1,0|3,0,0]=4 84 B13R1.115 COc1c(N)[n]c[n]c1SC(C)C Amb25849764 [1,0,1,0,0,0|2,0,0]=4 85 B13R1.151 CC(C)(C)Nc1[n]c[n]c(N)c1Br Amb24581169 [1,0,1,0,0,0|2,0,0]=4 86 B13R1.151 CC(C)(C)Oc1[n]c[n]c(N)c1Br Amb25057867 [1,0,1,0,0,0|2,0,0]=4 87 B13R1.151 Cc1c(N)[n]c[n]c1SC(C)(C)C Amb24534088 [1,0,1,0,0,0|1,0,1]=4 88 B13R1.622 CC(C)(C)Oc1[n]c[n]cc1C=O Amb24063057 [1,0,1,0,0,0|1,0,0]=3 89 B13R1.622 CC(C)(C)Oc1[n]cccc1C=O Amb23454880 [1,0,1,0,0,0|2,0,0]=4 90 B13R1.622 CC(C)(C)Sc1cc[n]cc1C=O Amb24469297 [1,0,1,0,0,0|2,0,0]=4 91 B13R1.8379 CC1(C)CC(=O)C(=C(N)C1)C(N)=O Amb24738494 [1,0,1,0,0,0|1,0,1]=4 92 B13R1.8379 CC1(C)CC(=O)C(C(N)=O)=C(O)C1 Amb25724882 [1,0,1,0,0,0|2,0,0]=4 93 B13R1.8379 NC(=C1C(=O)CC(CC1=O)(C)C)N Amb1915301 [1,0,1,0,0,0|1,0,1]=4 94 B13R1.201 CC(C)CC(=O)c1ccccc1N Amb18127960 [1,0,1,0,0,0|2,0,0]=4 95 B13R1.201 CC(C)NC(=O)c1c[n]ccc1N Amb25107233 [1,0,1,0,0,0|2,0,0]=4 96 B13R1.201 CC(C)NC(=O)c1ccc[n]c1N Amb18965358 [1,0,1,0,0,0|2,0,0]=4 97 B13R1.201 CC(CC(=O)c1ccccc1C)C Amb17198736 [1,0,1,0,0,0|2,0,0]=4 98 B13R1.201 CC(N)CC(=O)c1ccc[n]c1N Amb25789693 [1,0,1,0,0,0|2,0,0]=4 99 B13R1.201 CN(C)CC(=O)c1c[n]ccc1N Amb25356558 [1,0,1,0,0,0|2,0,0]=4 100 B13R1.201 CN(C)CC(=O)c1ccc[n]c1N Amb25347625 [1,0,1,0,0,0|2,0,0]=4 101 B13R1.201 Cc1[n]c[n]cc1C(=O)CC(C)C Amb24681477 [1,0,1,0,0,0|0,0,0]=2 102 B13R1.201 Cc1[n]c[n]cc1C(=O)NN(C)C Amb25845805 [1,0,1,0,0,0|2,0,0]=4 103 B13R1.201 Cc1[n]c[n]cc1C(=O)OC(C)C Amb25136698 [1,0,1,0,0,0|1,0,0]=3 104 B13R1.201 Cc1[n]c[n]cc1C(N)CC(C)C Amb24566430 [1,0,1,0,0,0|1,0,1]=4 105 B13R1.201 Cc1[n]cccc1C(=O)NC(C)C Amb24423835 [1,0,1,0,0,0|2,0,0]=4 106 B13R1.201 Cc1[n]cccc1C(=O)OC(C)C Amb24441749 [1,0,1,0,0,0|2,0,0]=4 107 B13R1.201 Cc1cc[n]cc1C(=O)CC(C)C Amb25776413 [1,0,1,0,0,0|1,0,0]=3 108 B13R1.201 Cc1cc[n]cc1C(=O)CN(C)C Amb24352335 [1,0,1,0,0,0|2,0,0]=4 109 B13R1.352 CC(C)(C)CC(=O)c1ccc[n][n]1 Amb25112605 [1,0,1,0,0,0|2,0,0]=4 110 B13R1.352 CC(C)(C)CC(=O)c1ccc[n]c1 Amb25189937 [1,0,1,0,0,0|1,0,0]=3 111 B13R1.352 CC(C)(C)CC(N)c1c[n]c[n]c1 Amb25297782 [1,0,1,0,0,0|1,0,1]=4 112 B13R1.352 CC(C)(C)NC(=O)c1c[n]c[n]c1 Amb25842030 [1,0,1,0,0,0|1,0,0]=3 113 B13R1.352 CC(C)(N)CC(=O)c1ccc[n]c1 Amb18195269 [1,0,1,0,0,0|2,0,0]=4 114 B13R1.352 O=C(c1cccnc1)OC(C)(C)C Amb10573247 [1,0,1,0,0,0|2,0,0]=4 115 B13R1.589 CC(=O)c1ccc[n]c1OC(C)C Amb23571474 [1,0,1,0,0,0|2,0,0]=4 116 B13R1.589 CC(=O)c1ccc[n]c1SC(C)C Amb24435712 [1,0,1,0,0,0|2,0,0]=4 117 B13R1.3787 CC(C)CNc1c(N)[n]c[n]c1Cl Amb23589356 [1,0,1,0,0,0|2,0,0]=4 118 B13R1.3787 Cc1[n]c[n]c(N)c1CCC(C)C Amb25689734 [1,0,1,0,0,0|0,0,1]=3 119 B13R1.4453 CCOC(=O)c1c(C)ncnc1C Amb10071081 [1,0,1,0,0,0|2,0,0]=4 120 B13R1.4453 Cc1[n]c[n]c(Cl)c1C(=O)OCC Amb22899723 [1,0,1,0,0,0|2,0,0]=4 121 B13R1.4453 Cc1[n]c[n]c(N)c1C(=O)OCC Amb25819965 [1,0,1,0,0,0|1,0,0]=3 122 B13R1.4453 Cc1cc[n]c(N)c1C(=O)CCC Amb25063849 [1,0,1,0,0,0|1,0,0]=3 123 B13R1.4453 Cc1cc[n]c(N)c1C(=O)OCC Amb23438885 [1,0,1,0,0,0|2,0,0]=4 124 B13R1.20 CC(CC=C)Nc1cc(N)[n]c[n]1 Amb25340874 [1,0,1,0,0,0|2,0,0]=4 125 B13R1.250 CC(C)(CC)Nc1cc(N)[n]c[n]1 Amb25378658 [1,0,1,0,0,0|1,0,1]=4 126 B13R1.250 CC(C)(CO)Nc1cc(N)[n]c[n]1 Amb25771294 [1,0,1,0,0,0|1,0,1]=4 127 B13R1.250 CC(C)(CO)Sc1cc(N)[n]c[n]1 Amb25172074 [1,0,1,0,0,0|1,0,1]=4 128 B13R1.250 CC(C)(Cc1cc[n]c(Cl)c1)C=O Amb24434182 [1,0,1,0,0,0|2,0,0]=4 129 B13R2.222 CC1(C)Cc2[n]cccc2CC1 Amb23536328 [2,0,0,0,0,0|1,0,1]=4 130 B13R2.5179 CC1Cc2[n]c[n]c(Cl)c2CC1 Amb25762830 [2,0,0,0,0,0|1,0,1]=4 131 B13R2.5179 C[C@@H]1Cc2[n]c[n]c(Cl)c2CC1 Amb24623683 [2,0,0,0,0,0|1,0,1]=4 132 B13R2.5179 Nc1[n]c[n]c2CC(O)CCc21 Amb24579757 [2,0,0,0,0,0|1,0,1]=4 133 B13R2.328 CC1CC(=O)c2c(C1)cccc2 Amb17594003 [2,0,0,0,0,0|2,0,0]=4 134 B13R2.328 CC1CC(=O)c2c[n]ccc2N1 Amb25275236 [2,0,0,0,0,0|2,0,0]=4 135 B13R2.328 CC1CC(=O)c2ccc[n]c2O1 Amb25768478 [2,0,0,0,0,0|2,0,0]=4 136 B13R2.328 CC1Cc2[n]c[n]cc2C(=O)C1 Amb24476214 [2,0,0,0,0,0|0,0,0]=2 137 B13R2.328 CC1Cc2[n]cccc2C(=O)C1 Amb25760661 [2,0,0,0,0,0|1,0,0]=3 138 B13R2.328 CN1Cc2[n]cccc2C(=O)C1 Amb24759710 [2,0,0,0,0,0|2,0,0]=4 139 B13R2.328 NC1Cc2[n]cccc2C(=O)C1 Amb18829722 [2,0,0,0,0,0|2,0,0]=4 140 B13R2.4818 Cc1[n]c[n]c2COCC(=O)c21 Amb18829009 [2,0,0,0,0,0|2,0,0]=4 141 B13R2.4818 Cc1cc[n]c2CCCC(=O)c21 Amb18829937 [2,0,0,0,0,0|2,0,0]=4 142 B13R2.4818 Nc1cc[n]c2CCCC(=O)c21 Amb25102505 [2,0,0,0,0,0|1,0,0]=3 143 B13R2.4818 Nc1cccc2CCCC(=O)c21 Amb22491494 [2,0,0,0,0,0|2,0,0]=4 144 B13R2.4818 O=C1CCCc2[n]ccc(Cl)c21 Amb22491881 [2,0,0,0,0,0|2,0,0]=4 145 B13R2.4818 Oc1[n]c[n]c2CNCC(=O)c21 Amb25848612 [2,0,0,0,0,0|2,0,0]=4 146 B15R1.8297 CC(Nc1ncnc(c1[N+](=O)[O-])N)(C)C Amb1251727 [0,1,1,0,0,0|2,0,0]=4 147 B15R1.4541 CNc1[n]cccc1C(=O)OC(C)(C)C Amb24062414 [0,1,1,0,0,0|2,0,0]=4 148 B15R1.7724 CC(C)(CO)NC(=O)c1ccc[n]c1N Amb18273093 [0,1,1,0,0,0|2,0,0]=4 149 B15R1.8024 CC(C)(C)C(O)C(=O)c1c[n]ccc1N Amb25825733 [0,1,1,0,0,0|1,0,0]=3 150 B15R1.8313 Cc1cc[n]c(N)c1C(=O)CC(C)(C)C Amb24736330 [0,1,1,0,0,0|1,0,0]=3 151 B15R1.8421 CC(C)(N)CC(=O)c1cc(Cl)c[n]c1N Amb24411190 [0,1,1,0,0,0|2,0,0]=4 152 B15R1.8421 Cc1c[n]c(N)c(c1)C(=O)CC(C)(C)N Amb24377322 [0,1,1,0,0,0|2,0,0]=4 153 B15R1.8421 Cc1cc(c(N)[n]c1)C(=O)CC(C)(C)C Amb25849293 [0,1,1,0,0,0|1,0,0]=3 154 B15R1.8443 CC(C)(C)NC(=O)c1c[n]c(Cl)[n]c1Cl Amb22749444 [0,1,1,0,0,0|2,0,0]=4 155 B15R1.8443 CC(C)(C)OC(=O)c1c[n]c(Cl)[n]c1Cl Amb23402910 [0,1,1,0,0,0|2,0,0]=4 156 B15R1.3550 Cc1[n]c(O)[n]c(CC(C)C)c1C(O)=O Amb18774232 [0,1,1,0,0,0|2,0,0]=4 157 B15R1.8295 Cc1cc[n]c(N)c1C(=O)C(O)C(C)C Amb24413631 [0,1,1,0,0,0|1,0,0]=3 158 B15R1.5730 CC(C)(CC(N)=O)Nc1cc(Cl)[n]c[n]1 Amb24338704 [0,1,1,0,0,0|2,0,0]=4 159 B15R1.5730 CC(C)(CC(N)=O)Nc1cc(F)[n]c[n]1 Amb24421853 [0,1,1,0,0,0|2,0,0]=4 160 B15R2.15605 CC1(C)Cc2[n]c(N)[n]c(Cl)c2CC1 Amb25840319 [1,1,0,0,0,0|1,0,1]=4 161 B15R2.15605 CC1(C)Cc2[n]c(N)[n]c(O)c2CC1 Amb24447053 [1,1,0,0,0,0|1,0,1]=4 162 B15R2.61348 CC1(C)Oc2[n]c[n]c(N)c2C=C1Br Amb24749816 [1,1,0,0,0,0|1,0,1]=4 163 B15R2.50278 CC1(C)CC(=O)c2cc(Br)c[n]c2N1 Amb25289837 [1,1,0,0,0,0|2,0,0]=4 164 B15R2.50278 CC1(C)Cc2[n]cc(Br)cc2C(=O)C1 Amb24453402 [1,1,0,0,0,0|1,0,0]=3 165 B15R2.50278 CC1(C)Cc2[n]cc(N)cc2C(=O)C1 Amb25217372 [1,1,0,0,0,0|1,0,0]=3 166 B15R2.50278 CC1(C)Cc2ccc(O)cc2C(=O)C1 Amb24342586 [1,1,0,0,0,0|2,0,0]=4 167 B15R2.63911 CC1(C)CC(=O)C=2C=CC(=O)NC2C1 Amb19516759 [1,1,0,0,0,0|1,0,1]=4 168 B15R2.63911 CC1(C)CC(=O)c2ccc(Br)[n]c2O1 Amb25795502 [1,1,0,0,0,0|2,0,0]=4 169 B15R2.63911 CC1(C)CC(=O)c2ccc(Cl)[n]c2O1 Amb24749039 [1,1,0,0,0,0|2,0,0]=4 170 B15R2.63911 CC1(C)Cc2[n]c(N)[n]cc2C(N)C1 Amb18278108 [1,1,0,0,0,0|1,0,1]=4 171 B15R2.63911 CC1(C)Cc2[n]c(N)[n]cc2C(O)C1 Amb24119545 [1,1,0,0,0,0|0,0,2]=4 172 B15R2.63911 CC1(C)Cc2[n]c(N)c[n]c2C(=O)C1 Amb25753476 [1,1,0,0,0,0|2,0,0]=4 173 B15R2.63911 CC1(C)Cc2[n]c(N)ccc2C(=O)C1 Amb25248616 [1,1,0,0,0,0|1,0,0]=3 174 B15R2.63911 CC1(C)Cc2[n]c(S)[n]cc2C(=O)C1 Amb24122145 [1,1,0,0,0,0|0,0,0]=2 175 B15R2.63911 Cc1[n]c2CC(C)(C)CC(=O)c2c[n]1 Amb19078280 [1,1,0,0,0,0|0,0,0]=2 176 B15R2.63911 Cc1[n]c2CC(C)(C)CC(N)c2c[n]1 Amb18943824 [1,1,0,0,0,0|1,0,1]=4 177 B15R2.63911 O=C1CC(C)(C)Cc2c1ccc(n2)Cl Amb13783500 [1,1,0,0,0,0|1,0,0]=3 178 B15R2.89951 CC1(C)Cc2[n]cccc2\C(\C1)=N/O Amb23536330 [1,1,0,0,0,0|1,0,1]=4 179 B15R2.89951 CNC1CC(C)(C)Cc2[n]c[n]cc21 Amb18279548 [1,1,0,0,0,0|1,0,1]=4 180 B15R2.136347 CC1(C)Cc2[n]cccc2C(=O)C1Br Amb23536326 [1,1,0,0,0,0|1,0,0]=3 181 B15R2.136347 CC1(C)Cc2ccccc2C(=O)C1O Amb24451902 [1,1,0,0,0,0|2,0,0]=4 182 B15R2.91551 CC1(C)CC(=O)c2c(C1)[nH]cc2C=O Amb18818502 [0,1,0,0,1,0|1,0,1]=4 183 B15R2.91551 CC1(C)Cc2occ(C#N)c2C(=O)C1 Amb24407182 [0,1,0,0,1,0|1,0,1]=4 184 B15R2.91551 CCc1[nH]nc2c1C(=O)CC(C2)(C)C Amb2448145 [0,1,0,0,1,0|1,0,1]=4 185 B15R2.118552 Cc1coc2CC(C)(CO)CC(=O)c12 Amb25075206 [0,1,0,0,1,0|2,0,0]=4 186 B15R2.155263 Cc1c(N)[s]c2CC(C)(C)CC(=O)c12 Amb18150675 [0,1,0,0,1,0|2,0,0]=4 187 B15R2.155263 Cc1c2C(=O)CC(C)(C)Cc2[n][n]1C Amb25308128 [0,1,0,0,1,0|1,0,1]=4 188 B15R2.155263 O=C1CC(C)(C)Cc2c1c(C)c([nH]2)C Amb16244686 [0,1,0,0,1,0|1,0,1]=4 189 B15R2.13165 CC1(C)CC(=CC(=O)C1)c2ccc[nH]2 Amb24498233 [0,0,1,1,0,0|2,0,0]=4 190 B15R2.13588 Nc1ncnc2c1cnn2C(C)(C)C Amb17516694 [0,0,1,1,0,0|2,0,0]=4 191 B15R2.29021 CC(C)(C)Cc1[n]c[n]c2[nH]c[n]c21 Amb25212322 [0,0,1,1,0,0|2,0,0]=4 192 B15R2.29021 CC(C)(C)Nc1[n]c[n]c2[nH]ccc21 Amb25273191 [0,0,1,1,0,0|2,0,0]=4 193 B15R2.37215 CC1(CC1)Nc2[n]c[n]c(Cl)c2C=O Amb24530572 [0,0,1,1,0,0|2,0,0]=4 194 B15R2.11 CC(C)(C)Cc1c[nH]c2[n]cccc21 Amb24684595 [0,0,1,1,0,0|2,0,0]=4 195 B15R2.7433 CC1(CC1)NC(=O)c2c[n]c[n]c2N Amb24403424 [0,0,1,1,0,0|1,0,0]=3 196 B15R2.7433 CC1(CC1)NC(=O)c2c[n]ccc2N Amb25064458 [0,0,1,1,0,0|2,0,0]=4 197 B15R2.7433 CC1(CC1)NC(=O)c2ccc[n]c2N Amb24499513 [0,0,1,1,0,0|2,0,0]=4 198 B15R2.43543 Cc1cc[n]cc1C(=O)C2CC2(C)C Amb25054939 [0,0,1,1,0,0|2,0,0]=4 199 B15R2.13624 CC(C)Cc1[n][nH]c2[n]c[n]c(O)c21 Amb22498822 [0,0,1,1,0,0|2,0,0]=4 200 B15R3.171 CC12Cc3ccccc3C(=O)C1C2 Amb25359019 [1,0,0,1,0,0|2,0,0]=4 201 B13R1.108 CC(C)(C)c1[n]c[n]c(N)c1C#N Amb25188070 [0,0,1,0,1,0|1,0,1]=4 202 B13R1.108 CC(C)(C)c1cc[n]c(Cl)c1C=O Amb24628497 [0,0,1,0,1,0|2,0,0]=4 203 B13R1.114 CC(C)(C)Cc1[n]oc(Cl)c1C=O Amb20673044 [0,0,1,0,1,0|2,0,0]=4 204 B13R1.276 CC(C)(C)C(=O)c1ccc[n]c1Br Amb25040129 [0,0,1,0,1,0|2,0,0]=4 205 B13R1.276 CC(C)(C)C(=O)c1ccc[n]c1Cl Amb24456865 [0,0,1,0,1,0|2,0,0]=4 206 B13R1.276 CC(C)(C)C(=O)c1ccccc1N Amb25100155 [0,0,1,0,1,0|2,0,0]=4 207 B13R1.276 CC(C)(N)C(=O)c1c[n]ccc1N Amb24359705 [0,0,1,0,1,0|2,0,0]=4 208 B13R1.276 CC(C)(N)C(=O)c1ccc[n]c1N Amb24351359 [0,0,1,0,1,0|2,0,0]=4 209 B13R1.276 Cc1[n]cccc1C(=O)C(C)(C)C Amb25787579 [0,0,1,0,1,0|2,0,0]=4 210 B13R1.3561 CC(C)(C)NC(=O)c1[n]o[n]c1N Amb18286925 [0,0,1,0,1,0|2,0,0]=4 211 B13R1.3561 CC(C)(C)OC(=O)[n]1cc[n]c1N Amb23399633 [0,0,1,0,1,0|2,0,0]=4 212 B13R1.3561 CC(C)(C)OC(=O)c1c[n]oc1N Amb25374964 [0,0,1,0,1,0|2,0,0]=4 213 B13R1.3561 C[n]1[n][n]cc1C(=O)CC(C)(C)C Amb25161257 [0,0,1,0,1,0|2,0,0]=4 214 B13R1.3561 C[n]1[n]c[n]c1C(=O)CC(C)(C)C Amb25152930 [0,0,1,0,1,0|2,0,0]=4 215 B13R1.3561 O=C(c1ccsc1N)OC(C)(C)C Amb16232238 [0,0,1,0,1,0|2,0,0]=4 216 B13R1.295 CC(C)c1cc[n]c(N)c1C(N)=O Amb23451781 [0,0,1,0,1,0|2,0,0]=4 217 B13R1.295 CC(C)c1cc[n]c(N)c1C(O)=O Amb23451780 [0,0,1,0,1,0|2,0,0]=4 218 B13R1.295 Cc1[n]c[n]c(C(C)C)c1C(O)=O Amb25786504 [0,0,1,0,1,0|2,0,0]=4 219 B13R1.3534 CC(=O)c1c(N)[s]cc1CC(C)C Amb24366746 [0,0,1,0,1,0|1,0,0]=3 220 B13R1.3534 CC(C)C[n]1c[n]c(N)c1C(O)=O Amb25291706 [0,0,1,0,1,0|2,0,0]=4 221 B13R1.3534 CC(C)Cc1c[s]c(N)c1C(O)=O Amb18187688 [0,0,1,0,1,0|2,0,0]=4 222 B13R1.3789 Cc1cc[n]c(N)c1C(=O)C(C)C Amb25111960 [0,0,1,0,1,0|1,0,0]=3 223 B13R1.3789 Cc1cc[n]c(N)c1C(=O)C(C)N Amb25800557 [0,0,1,0,1,0|2,0,0]=4 224 B13R1.3789 Cc1cc[n]c(N)c1C(=O)C(C)O Amb25283499 [0,0,1,0,1,0|2,0,0]=4 225 B13R1.5887 CC(NC(=O)c1c(N)scc1C)C Amb17207823 [0,0,1,0,1,0|2,0,0]=4 226 B13R1.5887 CC(OC(=O)c1c(N)scc1C)C Amb17207816 [0,0,1,0,1,0|2,0,0]=4 227 B13R1.5887 C[n]1[n][n]c(Br)c1C(=O)CC(C)C Amb24469629 [0,0,1,0,1,0|2,0,0]=4 228 B13R1.5887 C[n]1[n]cc(Cl)c1C(=O)CC(C)C Amb25762381 [0,0,1,0,1,0|2,0,0]=4 229 B13R1.5887 C[n]1[n]cc(N)c1C(=O)NC(C)C Amb24419426 [0,0,1,0,1,0|2,0,0]=4 230 B13R1.5887 C[n]1c[n]c(N)c1C(=O)NC(C)C Amb25097096 [0,0,1,0,1,0|2,0,0]=4 231 B13R1.5887 Cc1c[n][n](C)c1C(=O)CC(C)C Amb25349854 [0,0,1,0,1,0|2,0,0]=4 232 B13R2.4856 CC1Cc2cccc(N)c2C1=O Amb24417181 [1,0,0,0,1,0|2,0,0]=4 233 B13R2.11642 CC1CC(=O)c2c(C1)[nH]nc2C Amb2190408 [1,0,0,0,1,0|1,0,1]=4 234 B13R2.11642 Cc1c[nH]c2CC(C)CC(=O)c12 Amb25083249 [1,0,0,0,1,0|1,0,1]=4 235 B13R2.11642 Cc1coc2CC(C)CC(=O)c12 Amb25295384 [1,0,0,0,1,0|2,0,0]=4 236 B13R2.243 CC1(C)Oc2[n]cccc2C1=O Amb24365219 [1,0,0,0,1,0|2,0,0]=4 237 B13R2.243 O=C1c2ccccc2CC1(C)C Amb16191937 [1,0,0,0,1,0|2,0,0]=4 238 B13R2.5232 CC1(C)CC(=O)c2c[s]cc2O1 Amb18823653 [1,0,0,0,1,0|2,0,0]=4 239 B13R2.5232 CC1(C)CC(=O)c2cc[s]c2O1 Amb18823654 [1,0,0,0,1,0|2,0,0]=4 240 B13R2.5232 CC1(C)Cc2[nH]ccc2C(=O)C1 Amb17778501 [1,0,0,0,1,0|0,0,1]=3 241 B13R2.5232 CC1(C)Cc2[n]c[s]c2C(=O)C1 Amb18809561 [1,0,0,0,1,0|1,0,0]=3 242 B13R2.5232 CC1(C)Cc2oc[n]c2C(=O)C1 Amb18828394 [1,0,0,0,1,0|1,0,0]=3 243 B13R2.5232 O=C1CC(C)(C)Cc2c1cco2 Amb2477081 [1,0,0,0,1,0|1,0,0]=3 244 B13R2.12159 CC1(C)OC(=O)c2ccc[n]c12 Amb25151000 [1,0,0,0,1,0|2,0,0]=4 245 B15R1.4803 CC(C)(C)CNc1[n]c[n]c(Cl)c1C=O Amb25796749 [0,0,1,0,0,1|1,0,0]=3 246 B15R1.5802 CC(C)(C)CC(=O)Nc1ccccc1N Amb25388332 [0,0,1,0,0,1|2,0,0]=4 247 B15R1.5802 CC(C)(C)OC(=O)Nc1ccc[n]c1N Amb18131069 [0,0,1,0,0,1|2,0,0]=4 248 B15R1.8018 CC(C)(C)CNC(=O)c1c[n]ccc1Cl Amb24462365 [0,0,1,0,0,1|2,0,0]=4 249 B15R1.8018 CC(C)(C)CNC(=O)c1ccc[n]c1Br Amb24689804 [0,0,1,0,0,1|2,0,0]=4 250 B15R1.8018 CC(C)(C)CNC(=O)c1ccccc1N Amb24770422 [0,0,1,0,0,1|2,0,0]=4 251 B15R1.8265 CC(CNc1ncnc(c1[N+](=O)[O-])N)C Amb1252902 [0,0,1,0,0,1|2,0,0]=4 252 B15R1.8287 CC(C)CC(=O)Nc1c(Cl)[n]c[n]c1Cl Amb25722279 [0,0,1,0,0,1|2,0,0]=4 253 B15R1.8312 Cc1cc[n]c(Cl)c1C(=O)NCC(C)C Amb23452779 [0,0,1,0,0,1|2,0,0]=4 254 B15R2.992 CC1(C)CC(=O)Nc2ccc[n]c2N1 Amb24368017 [1,0,0,0,0,1|2,0,0]=4 255 B15R2.992 CC1(C)Cc2[n]cccc2NC(=O)C1 Amb24336683 [1,0,0,0,0,1|1,0,0]=3 256 B15R2.141978 CC1(C)Cc2[n]cccc2C(=O)NC1 Amb24741077 [1,0,0,0,0,1|1,0,0]=3