0 B17R2.4252 CCOc1c(oc2ccc(Br)cc12)C(O)=O Amb23509605 [0,0,0,0,0,0|3,0,0]=3 1 B17R2.4252 CCOc1c(oc2ccc(Cl)cc12)C(O)=O Amb23509596 [0,0,0,0,0,0|3,1,0]=4 2 B17R2.4252 Cc1cc2c(CCN)c([nH]c2cc1)C(=O)O Amb1058772 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.4252 Cc1ccc2oc(C(O)=O)c(OCC)c2c1 Amb23509593 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.4252 NCCc1c(C(=O)O)[nH]c2c1cc(Cl)cc2 Amb1058780 [0,0,0,0,0,0|0,1,0]=1 5 B16R2.3529 CC(C)c1[nH]c2ccccc2c1CCN Amb18786403 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.3529 CCCc1c([n]c2cccc[n]21)C(O)=O Amb24095580 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.3529 CCCc1c([s]c2ccccc21)C(=O)Cl Amb18637635 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.3529 CCCc1c([s]c2ccccc21)C(O)=O Amb18637610 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.3529 CCCc1c(oc2ccccc21)C(O)=O Amb18118514 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.3529 CCOc1c(oc2ccccc12)C(O)=O Amb18655252 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.3529 COCc1c(oc2c1cccc2)C(=O)O Amb18577 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.3529 CSCc1c([s]c2ccccc12)C(O)=O Amb19148272 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.3529 CSCc1c(oc2c1cccc2)C(=O)O Amb22167 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.3529 N#CCc1c([nH]c2[n]cccc21)C(O)=O Amb24075227 [1,0,0,0,0,0|1,0,2]=4 15 B16R2.3529 NCCc1c([nH]c2[n]cccc21)C(O)=O Amb24075223 [1,0,0,0,0,0|1,0,0]=2 16 B16R2.3529 NCCc1c([nH]c2c1cccc2)C(=O)O Amb1058757 [1,0,0,0,0,0|0,0,0]=1 17 B16R2.3529 NCCc1c([nH]c2ccccc21)C(O)=O Amb22283947 [1,0,0,0,0,0|0,0,0]=1 18 B16R2.3529 NOCc1c([s]c2ccccc21)C(O)=O Amb24508419 [1,0,0,0,0,0|2,0,0]=3 19 B16R2.3529 NOCc1c(oc2ccccc12)C(O)=O Amb24508418 [1,0,0,0,0,0|2,0,0]=3 20 B16R2.3529 OC(=O)c1[s]c2ccccc2c1CNO Amb25184291 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.3529 [NH3+]CCc1c([nH]c2ccccc21)C([O-])=O Amb22441756 [1,0,0,0,0,0|0,0,2]=3 22 B16R2.11036 CC[n]1c([n]c2ccc(Cl)cc12)C(O)=O Amb24623498 [1,0,0,0,0,0|1,1,1]=4 23 B16R2.11036 CC[n]1c([n]c2ccc(F)cc12)C(O)=O Amb25781033 [1,0,0,0,0,0|1,1,1]=4 24 B16R2.11036 CC[n]1c2cc(Br)ccc2cc1C(O)=O Amb19893151 [1,0,0,0,0,0|2,0,0]=3 25 B16R2.11036 CC[n]1c2cc(F)ccc2cc1C(O)=O Amb20673852 [1,0,0,0,0,0|2,1,0]=4 26 B16R2.11036 CCc1c([s]c2ccc(Cl)cc21)C(O)=O Amb25288946 [1,0,0,0,0,0|1,1,0]=3 27 B16R2.11036 CCc1c([s]c2ccc(F)cc21)C(O)=O Amb24522296 [1,0,0,0,0,0|1,1,0]=3 28 B16R2.11036 CCc1c(oc2ccc(Cl)cc21)C(N)=O Amb22749537 [1,0,0,0,0,0|2,1,0]=4 29 B16R2.11036 CCc1c(oc2ccc(Cl)cc21)C(O)=O Amb23440961 [1,0,0,0,0,0|1,1,0]=3 30 B16R2.11036 CCc1c(sc2c1cc(C)cc2)C(=O)O Amb17496738 [1,0,0,0,0,0|2,0,0]=3 31 B16R2.11036 COc1c(oc2ccc(Br)cc12)C(O)=O Amb23509604 [1,0,0,0,0,0|2,0,0]=3 32 B16R2.11036 COc1c(oc2ccc(Cl)cc12)C(O)=O Amb23450195 [1,0,0,0,0,0|2,1,0]=4 33 B16R2.11036 Cc1cc2c(cc(C(O)=O)[n]2CC)cc1 Amb19890806 [1,0,0,0,0,0|3,0,0]=4 34 B16R2.11036 Cc1ccc2oc(c(CC)c2c1)C(O)=O Amb24692470 [1,0,0,0,0,0|2,0,0]=3 35 B16R2.11036 Cc1ccc2oc(c(OC)c2c1)C(O)=O Amb23450194 [1,0,0,0,0,0|3,0,0]=4 36 B16R2.11036 O=Cc1c([nH]c2c1cc(Br)cc2)C(=O)O Amb17065521 [1,0,0,0,0,0|1,0,1]=3 37 B16R2.11036 O=Cc1c([nH]c2c1cc(Cl)cc2)C(=O)O Amb2234739 [1,0,0,0,0,0|1,1,1]=4 38 B16R2.115381 CCc1[nH]c2ccc(Cl)cc2c1CCN Amb18762760 [1,0,0,0,0,0|1,1,1]=4 39 B18R2.8467 C#CCOc1c(oc2ccc(Br)cc12)C(O)=O Amb23509609 [0,1,0,0,0,0|2,0,1]=4 40 B18R2.8467 C=CCOc1c(oc2ccc(Br)cc12)C(O)=O Amb23509608 [0,1,0,0,0,0|2,0,1]=4 41 B18R2.8467 CCCOc1c(oc2ccc(Br)cc12)C(O)=O Amb23509606 [0,1,0,0,0,0|2,0,0]=3 42 B18R2.8467 CCCOc1c(oc2ccc(Cl)cc12)C(O)=O Amb23509598 [0,1,0,0,0,0|2,1,0]=4 43 B18R2.31496 CC(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)O Amb1775445 [0,1,0,0,0,0|2,0,1]=4 44 B18R2.31496 CC(C)Oc1c(oc2ccc(Br)cc21)C(O)=O Amb23509607 [0,1,0,0,0,0|3,0,0]=4 45 B18R2.31496 Cc1cc2c(CC(O)=O)c([nH]c2cc1)C(O)=O Amb20412725 [0,1,0,0,0,0|2,0,1]=4 46 B18R2.31496 OC(=O)c1[nH]c2ccc(Br)cc2c1CC(O)=O Amb23452428 [0,1,0,0,0,0|1,0,1]=3 47 B18R2.31496 OC(=O)c1[nH]c2ccc(Cl)cc2c1CC(O)=O Amb20412723 [0,1,0,0,0,0|1,1,1]=4 48 B18R2.31496 OC(=O)c1[nH]c2ccc(F)cc2c1CC(O)=O Amb20412722 [0,1,0,0,0,0|1,1,1]=4 49 B18R2.31496 OC(=O)c1oc2ccc(Br)cc2c1OC(F)F Amb23509610 [0,1,0,0,0,0|3,0,0]=4 50 B18R2.45714 NCCc1c([nH]c2c1cc(OC)cc2)C(=O)O Amb1058773 [0,1,0,0,0,0|1,0,0]=2 51 B18R2.394838 NCCc1c([nH]c2c(Cl)cc(Cl)cc21)C(O)=O Amb21959836 [0,1,0,0,0,0|0,1,0]=2 52 B16R1.13916 CCC\C(=C/C(=O)O)\c1cc(C)ccc1C Amb17195293 [0,0,1,0,0,0|3,0,0]=4 53 B16R1.13916 CCC\C(=C/C(=O)O)\c1cc(F)ccc1F Amb17195615 [0,0,1,0,0,0|2,1,0]=4 54 B18R3.570445 O=C1CCCCc2c3cc(Br)ccc3[nH]c21 Amb18153144 [0,0,0,1,0,0|2,0,0]=3 55 B15R1.626 CCC\C(=C/C(=O)O)\c1cccc(c1)C Amb17238105 [1,0,1,0,0,0|2,0,0]=4 56 B15R1.626 CCC\C(=C/C(=O)O)\c1cccc(c1)Cl Amb17246767 [1,0,1,0,0,0|1,1,0]=4 57 B15R1.626 CCC\C(=C/C(=O)O)\c1cccc(c1)F Amb17239731 [1,0,1,0,0,0|1,1,0]=4 58 B15R1.1365 CC\C(=C(\F)/C(O)=O)\c1cccc(Br)c1 Amb25184347 [1,0,1,0,0,0|1,0,0]=3 59 B15R1.1365 C\C(\C(O)=O)=C(\CC)/c1cc(Br)ccc1 Amb25803255 [1,0,1,0,0,0|1,0,0]=3 60 B15R1.1365 C\C(\C(O)=O)=C(\CC)/c1cc(Cl)ccc1 Amb25675818 [1,0,1,0,0,0|1,1,0]=4 61 B15R1.1365 Cc1cc(ccc1)\C(\CC)=C(/F)\C(O)=O Amb25226514 [1,0,1,0,0,0|2,0,0]=4 62 B15R1.3120 CC\C(=C/C(=O)O)\c1cc(F)ccc1F Amb17195129 [1,0,1,0,0,0|1,1,0]=4 63 B15R1.9865 CCC\C(=C/C(=O)O)\c1ccccc1C Amb17238101 [1,0,1,0,0,0|2,0,0]=4 64 B15R1.9865 CCC\C(=C/C(=O)O)\c1ccccc1Cl Amb17246763 [1,0,1,0,0,0|2,0,0]=4 65 B15R1.9865 CCC\C(=C/C(=O)O)\c1ccccc1F Amb17239727 [1,0,1,0,0,0|2,0,0]=4 66 B15R2.44 C=Cc1[nH]c2ccccc2c1CCN Amb25074028 [2,0,0,0,0,0|1,0,0]=3 67 B15R2.44 CCCc1c2ccccc2[nH]c1C=O Amb24526831 [2,0,0,0,0,0|1,0,0]=3 68 B15R2.44 CCCc1c2ccccc2[s]c1C=O Amb25224777 [2,0,0,0,0,0|2,0,0]=4 69 B15R2.44 CCCc1c2ccccc2oc1C=O Amb24690526 [2,0,0,0,0,0|2,0,0]=4 70 B15R2.44 CCc1[nH]c2ccccc2c1CCN Amb18820675 [2,0,0,0,0,0|1,0,1]=4 71 B15R2.44 COCc1c(C=O)[nH]c2ccccc21 Amb18650138 [2,0,0,0,0,0|2,0,0]=4 72 B15R2.44 COc1[nH]c2ccccc2c1CCN Amb18650635 [2,0,0,0,0,0|2,0,0]=4 73 B15R2.44 CSc1[nH]c2ccccc2c1CCN Amb24506432 [2,0,0,0,0,0|2,0,0]=4 74 B15R2.44 NCCc1c(CO)[nH]c2ccccc21 Amb18650634 [2,0,0,0,0,0|0,0,1]=3 75 B15R2.44 OCc1[nH]c2ccccc2c1CCO Amb24574012 [2,0,0,0,0,0|1,0,1]=4 76 B15R2.4190 BrCc1c(oc2c1cccc2)C(=O)O Amb10594078 [2,0,0,0,0,0|2,0,0]=4 77 B15R2.4190 CC(=O)c1[nH]c2ccccc2c1CC Amb18138912 [2,0,0,0,0,0|1,0,0]=3 78 B15R2.4190 CC(=O)c1[nH]c2ccccc2c1CO Amb24469310 [2,0,0,0,0,0|2,0,0]=4 79 B15R2.4190 CC[n]1c([n]c2ccccc12)C(O)=O Amb19649802 [2,0,0,0,0,0|1,0,1]=4 80 B15R2.4190 CCc1c([nH]c2c1cccc2)C(=O)O Amb10607346 [2,0,0,0,0,0|0,0,0]=2 81 B15R2.4190 CCc1c([nH]c2ccccc21)C(=O)Cl Amb24102066 [2,0,0,0,0,0|1,0,0]=3 82 B15R2.4190 CCc1c([nH]c2ccccc21)C(N)=O Amb24428940 [2,0,0,0,0,0|1,0,0]=3 83 B15R2.4190 CCc1c([s]c2ccccc21)C(=O)Cl Amb18119209 [2,0,0,0,0,0|2,0,0]=4 84 B15R2.4190 CCc1c([s]c2ccccc21)C(O)=O Amb18119198 [2,0,0,0,0,0|1,0,0]=3 85 B15R2.4190 CCc1c(c[n]2ccccc21)C(O)=O Amb18820530 [2,0,0,0,0,0|2,0,0]=4 86 B15R2.4190 CCc1c2[n]cccc2oc1C(O)=O Amb24403036 [2,0,0,0,0,0|2,0,0]=4 87 B15R2.4190 COc1c([nH]c2[n]cccc21)C(O)=O Amb24075253 [2,0,0,0,0,0|2,0,0]=4 88 B15R2.4190 COc1c([nH]c2ccccc21)C(O)=O Amb18650738 [2,0,0,0,0,0|1,0,0]=3 89 B15R2.4190 COc1c([s]c2ccccc21)C(O)=O Amb18119206 [2,0,0,0,0,0|2,0,0]=4 90 B15R2.4190 COc1c(oc2c1cccc2)C(=O)O Amb10074170 [2,0,0,0,0,0|2,0,0]=4 91 B15R2.4190 CSc1c([nH]c2ccccc21)C(O)=O Amb18655809 [2,0,0,0,0,0|1,0,0]=3 92 B15R2.4190 N#Cc1c([nH]c2ccccc21)C(O)=O Amb18822234 [2,0,0,0,0,0|0,0,2]=4 93 B15R2.4190 NCc1c([s]c2ccccc21)C(O)=O Amb24463007 [2,0,0,0,0,0|1,0,0]=3 94 B15R2.4190 NCc1c(oc2c1cccc2)C(=O)N Amb13952610 [2,0,0,0,0,0|2,0,0]=4 95 B15R2.4190 O=Cc1c([nH]c2c1cccc2)C(=O)O Amb1087912 [2,0,0,0,0,0|1,0,1]=4 96 B15R2.4190 OC(=O)c1[nH]c2ccccc2c1C=O Amb17659409 [2,0,0,0,0,0|1,0,1]=4 97 B15R2.4190 OC(=O)c1[s]c2ccccc2c1CS Amb25764785 [2,0,0,0,0,0|2,0,0]=4 98 B15R2.4190 OC(=O)c1oc2ccccc2c1CF Amb24498068 [2,0,0,0,0,0|2,0,0]=4 99 B15R2.4190 OC(=O)c1oc2ccccc2c1CS Amb18282760 [2,0,0,0,0,0|2,0,0]=4 100 B15R2.1759 CCc1c(C=O)[s]c2ccc(Cl)cc21 Amb18676500 [2,0,0,0,0,0|1,1,0]=4 101 B15R2.1759 CCc1c(C=O)[s]c2ccc(F)cc21 Amb18675099 [2,0,0,0,0,0|1,1,0]=4 102 B15R2.1759 CCc1c(C=O)[s]c2ccc(N)cc21 Amb25240372 [2,0,0,0,0,0|2,0,0]=4 103 B15R2.1759 CCc1c(C=O)oc2ccc(Cl)cc21 Amb18141261 [2,0,0,0,0,0|1,1,0]=4 104 B15R2.1759 CCc1c(CO)[s]c2ccc(Br)cc21 Amb24700524 [2,0,0,0,0,0|1,0,1]=4 105 B15R2.1759 COc1c(C=O)[s]c2ccc(Br)cc21 Amb25195997 [2,0,0,0,0,0|2,0,0]=4 106 B15R2.1759 Cc1ccc2[s]c(C=O)c(CC)c2c1 Amb18675088 [2,0,0,0,0,0|2,0,0]=4 107 B15R2.1759 O=Cc1[s]c2ccc(Br)cc2c1CBr Amb25289352 [2,0,0,0,0,0|2,0,0]=4 108 B15R2.1759 OCc1c(C=O)[s]c2ccc(Br)cc21 Amb24667196 [2,0,0,0,0,0|2,0,0]=4 109 B15R2.7203 Brc1ccc2c(c1)c(C)c(o2)C(=O)O Amb15532 [2,0,0,0,0,0|1,0,0]=3 110 B15R2.7203 CC(=O)c1oc2ccc(Br)cc2c1N Amb22498121 [2,0,0,0,0,0|2,0,0]=4 111 B15R2.7203 Cc1c([nH]c2[n]cc(Br)cc21)C(N)=O Amb25834777 [2,0,0,0,0,0|2,0,0]=4 112 B15R2.7203 Cc1c([nH]c2ccc(Br)cc21)C(N)=S Amb24412086 [2,0,0,0,0,0|1,1,0]=4 113 B15R2.7203 Cc1c([nH]c2ccc(F)cc21)C(N)=O Amb24590186 [2,0,0,0,0,0|1,1,0]=4 114 B15R2.7203 Cc1c([nH]c2ccc(N)cc21)C(O)=O Amb18819572 [2,0,0,0,0,0|1,0,0]=3 115 B15R2.7203 Cc1c([n]c2ccc(Br)c[n]21)C(O)=O Amb23581053 [2,0,0,0,0,0|1,0,1]=4 116 B15R2.7203 Cc1c([s]c2ccc(I)cc21)C(O)=O Amb24554398 [2,0,0,0,0,0|1,1,0]=4 117 B15R2.7203 Cc1c([s]c2ccc(N)cc21)C(O)=O Amb24375734 [2,0,0,0,0,0|2,0,0]=4 118 B15R2.7203 Cc1c([s]c2ccc(S)cc21)C(O)=O Amb25339795 [2,0,0,0,0,0|2,0,0]=4 119 B15R2.7203 Cc1c(cc2ccc(Br)c[n]21)C(O)=O Amb25704335 [2,0,0,0,0,0|2,0,0]=4 120 B15R2.7203 Cc1c2cc(Cl)ccc2[nH]c1C(C)=O Amb25218241 [2,0,0,0,0,0|1,1,0]=4 121 B15R2.7203 Cc1c2cc(O)ccc2[nH]c1C(C)=O Amb18820486 [2,0,0,0,0,0|2,0,0]=4 122 B15R2.7203 Cc1c2cc(O)ccc2[s]c1C(O)=O Amb18656144 [2,0,0,0,0,0|2,0,0]=4 123 B15R2.7203 Cc1cc2c(CC(C(O)=O)=C2C)cc1 Amb18649886 [2,0,0,0,0,0|2,0,0]=4 124 B15R2.7203 Cc1cc2c(I)c([nH]c2cc1)C(O)=O Amb24442188 [2,0,0,0,0,0|2,0,0]=4 125 B15R2.7203 Cc1cc2c(N)c([nH]c2cc1)C(O)=O Amb25671156 [2,0,0,0,0,0|1,0,0]=3 126 B15R2.7203 Cc1cc2c(N)c([s]c2cc1)C(O)=O Amb24575421 [2,0,0,0,0,0|2,0,0]=4 127 B15R2.7203 Cc1cc2c(cc1)[nH]c(C(C)=O)c2C Amb25350555 [2,0,0,0,0,0|2,0,0]=4 128 B15R2.7203 Cc1cc2c(cc1)[nH]c(C(N)=O)c2C Amb25781960 [2,0,0,0,0,0|2,0,0]=4 129 B15R2.7203 Cc1ccc2c(c1)c(C)c(o2)C(=O)O Amb1214420 [2,0,0,0,0,0|2,0,0]=4 130 B15R2.7203 Clc1ccc2c(c1)c(Br)c([nH]2)C(=O)O Amb17065522 [2,0,0,0,0,0|1,1,0]=4 131 B15R2.7203 Clc1ccc2c(c1)c(C)c(o2)C(=O)O Amb1550352 [2,0,0,0,0,0|1,1,0]=4 132 B15R2.7203 Fc1ccc2c(c1)c(C)c([nH]2)C(=O)O Amb1099340 [2,0,0,0,0,0|0,1,0]=3 133 B15R2.7203 Fc1ccc2c(c1)c(C)c(o2)C(=O)O Amb1256942 [2,0,0,0,0,0|1,1,0]=4 134 B15R2.7203 Nc1c([n]c2ccc(Br)c[n]21)C(O)=O Amb18112657 [2,0,0,0,0,0|1,0,1]=4 135 B15R2.7203 Nc1c([s]c2ccc(Cl)cc21)C(O)=O Amb24666472 [2,0,0,0,0,0|1,1,0]=4 136 B15R2.7203 Nc1c(oc2[n]cc(Br)cc21)C(O)=O Amb25193413 [2,0,0,0,0,0|2,0,0]=4 137 B15R2.7203 Nc1c(oc2ccc(Br)cc21)C(O)=O Amb22498414 [2,0,0,0,0,0|1,0,0]=3 138 B15R2.7203 Nc1c(oc2ccc(Cl)cc21)C(O)=O Amb24097474 [2,0,0,0,0,0|1,1,0]=4 139 B15R2.7203 Nc1c2cc(Br)c[n]c2[nH]c1C(N)=O Amb24075216 [2,0,0,0,0,0|2,0,0]=4 140 B15R2.7203 Nc1c2cc(Br)ccc2[nH]c1C(N)=O Amb24665847 [2,0,0,0,0,0|1,0,0]=3 141 B15R2.7203 Nc1c2cc(Br)ccc2[s]c1C(N)=O Amb24086726 [2,0,0,0,0,0|2,0,0]=4 142 B15R2.7203 Nc1c2cc(O)ccc2[s]c1C(O)=O Amb24628582 [2,0,0,0,0,0|2,0,0]=4 143 B15R2.7203 Nc1ccc2c(c1)c(C)c(o2)C(=O)O Amb10789176 [2,0,0,0,0,0|2,0,0]=4 144 B15R2.7203 OC(=O)C=1Cc2ccc(Br)cc2C1Cl Amb24744163 [2,0,0,0,0,0|2,0,0]=4 145 B15R2.7203 OC(=O)c1[nH]c2ccc(Br)cc2c1I Amb24418986 [2,0,0,0,0,0|1,0,0]=3 146 B15R2.7203 OC(=O)c1[nH]c2ccc(Cl)cc2c1I Amb24403356 [2,0,0,0,0,0|1,1,0]=4 147 B15R2.7203 OC(=O)c1[nH]c2ccc(F)cc2c1F Amb25689111 [2,0,0,0,0,0|1,1,0]=4 148 B15R2.7203 OC(=O)c1[s]c2ccc(Br)cc2c1Br Amb24757073 [2,0,0,0,0,0|2,0,0]=4 149 B15R2.7203 OC(=O)c1[s]c2ccc(Br)cc2c1Cl Amb24057375 [2,0,0,0,0,0|2,0,0]=4 150 B15R2.7203 OC(=O)c1[s]c2ccc(Br)cc2c1I Amb25247911 [2,0,0,0,0,0|2,0,0]=4 151 B15R2.56717 CCCC1C(=O)Nc2c1cc(Br)cc2 Amb17263759 [2,0,0,0,0,0|1,0,1]=4 152 B15R2.56717 Cc1[nH]c2ccc(Br)cc2c1CCO Amb18562605 [2,0,0,0,0,0|1,0,1]=4 153 B15R2.56717 Cc1[nH]c2ccc(N)cc2c1CCN Amb18819966 [2,0,0,0,0,0|1,0,1]=4 154 B15R2.56717 Cc1[nH]c2ccc(O)cc2c1CCN Amb18819272 [2,0,0,0,0,0|1,0,1]=4 155 B15R2.56717 Cc1[nH]c2ccc(O)cc2c1CCN Amb22350213 [2,0,0,0,0,0|1,0,1]=4 156 B15R2.56717 Cc1[nH]c2ccc(O)cc2c1CCN Amb22369883 [2,0,0,0,0,0|1,0,1]=4 157 B15R2.56717 Cc1[s]c2ccc(Br)cc2c1CCN Amb24391767 [2,0,0,0,0,0|1,0,1]=4 158 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)Br Amb1039266 [2,0,0,0,0,0|0,0,1]=3 159 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)Br Amb2234563 [2,0,0,0,0,0|0,0,1]=3 160 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)C Amb1050754 [2,0,0,0,0,0|1,0,1]=4 161 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)Cl Amb1043435 [2,0,0,0,0,0|0,1,1]=4 162 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)Cl Amb2234586 [2,0,0,0,0,0|0,1,1]=4 163 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)F Amb1048113 [2,0,0,0,0,0|0,1,1]=4 164 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)I Amb1815055 [2,0,0,0,0,0|0,1,1]=4 165 B15R2.56717 Cc1c(CCN)c2c([nH]1)ccc(c2)I Amb2234566 [2,0,0,0,0,0|0,1,1]=4 166 B15R2.56717 Cc1cc2C(CCN)C(=O)Nc2cc1 Amb1130393 [2,0,0,0,0,0|1,0,1]=4 167 B15R2.56717 Cc1cc2C(CCN)C(=O)Nc2cc1 Amb21913078 [2,0,0,0,0,0|1,0,1]=4 168 B15R2.56717 Cc1oc2ccc(Br)cc2c1CCN Amb25685523 [2,0,0,0,0,0|1,0,1]=4 169 B15R2.56717 NCCC1C(=O)Nc2c1cc(Br)cc2 Amb17065361 [2,0,0,0,0,0|0,0,1]=3 170 B15R2.56717 NCCC1C(=O)Nc2c1cc(Cl)cc2 Amb10808677 [2,0,0,0,0,0|0,1,1]=4 171 B15R2.56717 NCCC1C(=O)Nc2c1cc(Cl)cc2 Amb17065360 [2,0,0,0,0,0|0,1,1]=4 172 B15R2.56717 NCCC1C(=O)Nc2ccc(F)cc21 Amb21912638 [2,0,0,0,0,0|0,1,1]=4 173 B15R2.56717 NCCN1C(=O)Nc2ccc(F)cc12 Amb25204291 [2,0,0,0,0,0|1,1,0]=4 174 B15R2.56717 NCCN1C(=O)Oc2ccc(Br)cc12 Amb25795491 [2,0,0,0,0,0|2,0,0]=4 175 B15R2.56717 NCCc1c(C)[nH]c2c1cc(C)cc2 Amb1795615 [2,0,0,0,0,0|1,0,1]=4 176 B17R1.18956 CCC\C(=C/C(=O)O)\c1cc(Br)ccc1OC Amb17198443 [0,1,1,0,0,0|2,0,0]=4 177 B17R2.4059 NCCc1c([nH]c2cc(Br)ccc21)C(O)=O Amb24069434 [1,1,0,0,0,0|0,0,0]=2 178 B17R2.6436 CCCOc1c(oc2ccccc12)C(O)=O Amb23509568 [1,1,0,0,0,0|2,0,0]=4 179 B17R2.6436 CCOCc1c(oc2c1cccc2)C(=O)O Amb20365 [1,1,0,0,0,0|2,0,0]=4 180 B17R2.6436 NCCCc1c([nH]c2[n]cccc21)C(O)=O Amb24075225 [1,1,0,0,0,0|1,0,0]=3 181 B17R2.45503 CC(Cc1c([nH]c2c1cccc2)C(=O)O)N Amb17595948 [1,1,0,0,0,0|0,0,0]=2 182 B17R2.45503 CN(C)Cc1c([nH]c2ccccc21)C(O)=O Amb18658276 [1,1,0,0,0,0|2,0,0]=4 183 B17R2.45503 OC(=O)Cc1c([nH]c2c1cccc2)C(=O)O Amb1048806 [1,1,0,0,0,0|1,0,1]=4 184 B17R2.139295 COc1c(oc2ccc(Br)cc21)C(=O)OC Amb23509560 [1,1,0,0,0,0|2,0,0]=4 185 B17R2.484550 CCc1c(oc2c1cc(C)c(c2)C)C(=O)O Amb2577762 [1,1,0,0,0,0|2,0,0]=4 186 B17R2.484550 Cc1cc2oc(c(CC)c2cc1Cl)C(O)=O Amb22751594 [1,1,0,0,0,0|1,1,0]=4 187 B19R2.18499 COCCOc1c(oc2ccc(Br)cc21)C(O)=O Amb23509484 [0,2,0,0,0,0|2,0,0]=4 188 B19R2.486189 CC(C)COc1c(oc2ccc(Br)cc12)C(O)=O Amb23509390 [0,2,0,0,0,0|2,0,0]=4 189 B19R2.71411 C[n]1c(c(CCN)c2cc(ccc12)OC)C(O)=O Amb21955248 [0,2,0,0,0,0|1,0,0]=3 190 B17R3.5121 O=C1CCCCc2c1[nH]c3c2cccc3 Amb19134584 [1,0,0,1,0,0|2,0,0]=4 191 B17R3.34483 CC1Cc2c3ccccc3[nH]c2C(=O)C1 Amb24310192 [1,0,0,1,0,0|2,0,0]=4 192 B17R3.66390 OC(=O)c1[s]c2ccccc2c1C3CC3 Amb24413635 [1,0,0,1,0,0|2,0,0]=4 193 B17R3.284867 Brc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1003554 [1,0,0,1,0,0|1,0,0]=3 194 B17R3.284867 Brc1ccc2c(c1)c3CCCC(c3[nH]2)O Amb1040081 [1,0,0,1,0,0|1,0,1]=4 195 B17R3.284867 Cc1ccc2c(c1)c3CCNC(=O)c3[nH]2 Amb1080844 [1,0,0,1,0,0|2,0,0]=4 196 B17R3.284867 Clc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1094142 [1,0,0,1,0,0|1,1,0]=4 197 B17R3.284867 Clc1ccc2c(c1)c3CCNC(=O)c3[nH]2 Amb1099192 [1,0,0,1,0,0|1,1,0]=4 198 B17R3.284867 Fc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1016630 [1,0,0,1,0,0|1,1,0]=4 199 B17R3.284867 Nc1ccc2[nH]c3C(=O)CNCc3c2c1 Amb18810167 [1,0,0,1,0,0|2,0,0]=4 200 B17R3.284867 Nc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1102399 [1,0,0,1,0,0|2,0,0]=4 201 B17R3.284867 O=C1NCCc2c3cc(F)ccc3[nH]c21 Amb22455580 [1,0,0,1,0,0|1,1,0]=4 202 B17R3.31627 NC1Cc2c3cc(Br)ccc3[nH]c2CC1 Amb18559360 [1,0,0,1,0,0|1,0,1]=4 203 B19R3.7790954 OC(=O)C1CCCc2c1[nH]c3c2cc(cc3)Br Amb1042480 [0,0,0,1,0,1|1,0,0]=3 204 B19R3.7790954 OC(=O)C1CCCc2c1[nH]c3c2cc(cc3)Cl Amb1034843 [0,0,0,1,0,1|1,1,0]=4 205 B19R3.7790954 OC(=O)C1NCCc2c1[nH]c3c2cc(cc3)C Amb2235882 [0,0,0,1,0,1|1,0,0]=3