0 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 Z133621020 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.509 CC(C)(C)NC1=CC=NC=C1 Z1416163563 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.249 CC(C)(CN)SC1=CC=C(C=C1)Br Z1262327704 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.250 CC(C)(C#N)CC1=CC(=CC=C1)Br Z1259281926 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Br Z2235409208 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Cl Z995183126 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.263 CNS(=O)(=O)C(C)C1=CC=CC=C1 Z2105185528 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.275 CC(C)(C=O)CC1=C(C=CC=C1)Br Z1618132035 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.275 CC(N)(CO)CC1=C(C=CC=C1)Br Z4498797630 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.275 CC(N)(CO)CC1=C(C=CC=C1)F Z2725040168 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.275 CC[N+](C)(C)CC1=C(C=CC=C1)Br Z2050011174 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)N Z727617504 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.1073 CC(C)C(C)(N)CC1=CC=CC=C1 Z2690366626 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(F)F Z3013304115 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.3080 CC(CN)(CO)CC1=CC=CC=C1 Z1198237093 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.98 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C=O Z2289709429 [0,0,0,1,0,0|2,0,0]=3 56 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CN Z2216303059 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.101 NCC1(CC1)CC2=CC=CC=C2 Z1262627881 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.101 NCC1(CC1)SC2=CC=CC=C2 Z1162907902 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.103 CC1(CC2=C(C1)C=CC=C2)C=O Z1511802864 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.103 CC1(CC2=C(C1)C=CC=C2)CO Z1896371614 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.103 NC1(CC2=C(C1)C=CC=C2)CO Z734151298 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.103 NCC1(CC2=C(C1)C=CC=C2)O Z449368636 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.219 CC1(CNC1C2=CN=CC=C2)C Z2158468705 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.221 NC1(CCC1)CC2=CC=CC=C2 Z1428160831 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.222 CC1(CC2=C(C=CC=C2)CN1)C Z3235901726 [0,0,0,1,0,0|0,0,0]=1 68 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)N Z489303314 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)O Z489303234 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.222 CC1(CCC2=C(N1)C=CC=C2)C Z1198279006 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.222 CC1(CCC2=C(O1)C=CC=C2)C Z740530926 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.222 CC1(CNC2=C(C1)C=CC=C2)C Z3817108766 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.222 CC1(CNC2=C(C1)C=CC=N2)C Z4449638275 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.222 CC1(CNC2=C(N1)C=CC=C2)C Z1251354178 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.222 CC1(CNC2=C(O1)C=CC=C2)C Z1198339745 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.222 CC1(CNC2=C(S1)C=CC=C2)C Z1201628628 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.243 CC1(CC2=C(C1=O)C=CC=C2)C Z1198221113 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.243 CC1(CC2=C(C1N)C=CC=C2)C Z4167757602 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.243 CC1(NC2=C(C1=O)C=CC=C2)C Z1255381565 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.243 CC1(NC2=C(C1N)C=CC=C2)C Z2739157113 [0,0,0,1,0,0|3,0,0]=4 81 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 Z339435272 [0,0,0,0,1,0|2,0,0]=3 82 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 Z1079442604 [0,0,0,0,1,0|2,0,0]=3 83 B11R1.7 CC(C)(C=O)C1=CC=NC=C1 Z2732458612 [0,0,0,0,1,0|3,0,0]=4 84 B11R1.7 CC(C)(C=O)C1=CN=CC=C1 Z1511889697 [0,0,0,0,1,0|3,0,0]=4 85 B11R1.7 CC(C)(C=O)C1=NC=CC=C1 Z1255506395 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [0,0,0,0,1,0|2,0,0]=3 87 B11R1.7 CC(C)(CN)C1=CN=CC=C1 Z1255424681 [0,0,0,0,1,0|3,0,0]=4 88 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Z1216821531 [0,0,0,0,1,0|3,0,0]=4 90 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 Z1695669743 [0,0,0,0,1,0|3,0,0]=4 91 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [0,0,0,0,1,0|3,0,0]=4 92 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.7 CNC(C)(C)C1=CC=CC=C1 Z991114970 [0,0,0,0,1,0|0,0,0]=1 97 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 Z45527650 [0,0,0,0,1,0|3,0,0]=4 98 B13R1.254 C#CC(C)(C)OCC1=CC=CC=C1 Z2731710743 [0,0,0,0,0,1|1,0,1]=3 99 B13R1.254 CC(C)(C=O)OCC1=CC=CC=C1 Z1511754920 [0,0,0,0,0,1|2,0,0]=3 100 B13R1.254 CC(C)(CO)COC1=CC=CC=C1 Z1255499310 [0,0,0,0,0,1|2,0,0]=3 101 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 Z57328799 [0,0,0,0,0,1|2,0,0]=3 102 B13R1.254 CC(N)(C#N)CCC1=CC=CC=C1 Z415636554 [0,0,0,0,0,1|3,0,0]=4 103 B13R1.254 CC(N)(CO)COC1=CC=CC=C1 Z1250155590 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|0,0,0]=2 107 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|0,0,0]=2 118 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,0,1]=4 132 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [1,1,0,0,0,0|0,0,2]=4 137 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,1,0,0,0,0|0,0,0]=2 165 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,1,0,0,0,0|0,0,0]=2 166 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [1,1,0,0,0,0|0,0,0]=2 176 B12R1.106 CC(C)(C)CC1=CC=C(C=C1)Br Z1681356955 [1,1,0,0,0,0|0,0,0]=2 177 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)Br Z1203159865 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N Z362795876 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.106 CC(C)(C)OC1=NC=C(C=C1)Br Z808608886 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)N Z332377642 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.106 CC(C)(C)SC1=NC=C(C=C1)Br Z808608588 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Br Z1263529603 [1,1,0,0,0,0|0,0,0]=2 183 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.119 CC(C)(N)CC1=CC(=CC=C1)Br Z415658564 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.151 CC(C)(C)NC1=C(C=CC=C1)N Z1973465436 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.151 CC(C)(C)OC1=C(C=CC=C1)N Z362795894 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.151 CC(C)(O)CC1=C(C=CC=C1)Br Z513707712 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.151 CC(C)(O)CC1=C(C=CC=C1)Cl Z513707752 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.151 CC1=C(C=CC=C1)CC(C)(C)N Z1263602397 [1,1,0,0,0,0|0,0,0]=2 191 B12R1.564 CC(C)(C)C(=O)C1=NC=CC=C1 Z982128336 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 Z255149938 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 Z1198157843 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)N Z2681235948 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)O Z2235789563 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.564 CC(F)(F)C(N)C1=CC=CC=C1 Z3889917141 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.9 CC(C)(C#N)C1=CC=C(C=C1)Br Z415650942 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.9 CC(C)(C=O)C1=CC=C(C=C1)Br Z1269186802 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Br Z415697662 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl Z556092664 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)F Z725146590 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.9 CC(C)(CO)C1=CC=C(C=C1)N Z4991552655 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C#N Z725146308 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C=O Z1255385343 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CN Z725146612 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)Br Z1270554970 [0,1,0,0,1,0|1,0,0]=3 208 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [0,1,0,0,1,0|1,0,0]=3 209 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.9 COC(C)(C)C1=CC=C(C=C1)Br Z1269200225 [0,1,0,0,1,0|1,0,0]=3 211 B12R1.10 CC(C)(C#N)C1=CC(=CC=C1)F Z725146244 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.10 CC(C)(C#N)C1=CC(=CC=C1)N Z1251415409 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)Br Z725146618 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)Cl Z725146492 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)F Z725146550 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.10 CC(C)(CO)C1=CC(=CC=C1)N Z1416169387 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.10 CC1=CC(=CC=C1)C(C)(C)CN Z725146606 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 Z336081086 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 Z1255440195 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.39 CCNC(C)(C)C1=CC=CC=C1 Z991114618 [0,1,0,0,1,0|0,0,0]=2 222 B12R1.39 CNCC(F)(F)C1=CC=CC=C1 Z5719431865 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.195 CC(C)(C#N)C1=C(C=CC=C1)Br Z1020847934 [0,1,0,0,1,0|2,0,0]=4 226 B12R1.195 CC(C)(C#N)C1=C(C=CC=C1)Cl Z858030358 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.195 CC(C)(CN)C1=C(C=CC=C1)Br Z1020847578 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.195 CC(C)(CN)C1=C(C=CC=C1)Cl Z858031312 [0,1,0,0,1,0|2,0,0]=4 229 B12R1.195 CC(C)(CN)C1=C(C=CC=C1)F Z825741310 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.195 CC1=C(C=CC=C1)C(C)(C)CN Z725146486 [0,1,0,0,1,0|2,0,0]=4 231 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 Z406676998 [0,1,0,0,1,0|1,0,0]=3 232 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 Z104493600 [0,1,0,0,1,0|2,0,0]=4 233 B12R1.253 CC(N)C(C)(C)C1=CC=CC=C1 Z406677008 [0,1,0,0,1,0|1,0,0]=3 234 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 Z2466617796 [0,1,0,0,1,0|2,0,0]=4 235 B12R1.475 CC(CN)(CO)C1=CC=CC=C1 Z4522214749 [0,1,0,0,1,0|2,0,0]=4 236 B14R1.290 CC(NC(C)(C)CN)C1=CC=CC=C1 Z1097110788 [0,1,0,0,0,1|2,0,0]=4 237 B14R1.293 CC(C)(CO)NCC1=CC=C(C=C1)Br Z57328532 [0,1,0,0,0,1|2,0,0]=4 238 B14R1.294 CC(C)(CO)CSC1=CC(=CC=C1)O Z2573328312 [0,1,0,0,0,1|2,0,0]=4 239 B14R1.294 CC(C)(CO)NCC1=CC(=CC=C1)Br Z155327418 [0,1,0,0,0,1|2,0,0]=4 240 B14R1.294 CC(C)(CO)NCC1=CC(=CC=C1)F Z267080442 [0,1,0,0,0,1|2,0,0]=4 241 B14R1.294 CSC(C)(C)CNC1=NC(=CC=C1)C Z1704681843 [0,1,0,0,0,1|2,0,0]=4 242 B14R1.298 CCC(C)(C)OCC1=C(C=CC=C1)N Z362797482 [0,1,0,0,0,1|1,0,0]=3 243 B14R1.2928 CCC(C)(CO)NCC1=CN=CC=C1 Z1230548023 [0,1,0,0,0,1|2,0,0]=4 244 B14R1.6829 COCC(C)(C)NCC1=CC=CC=C1 Z1071279124 [0,1,0,0,0,1|1,0,0]=3 245 B14R1.305 CC(C)(NO)C(=O)C1=CC=C(C=C1)F Z166626668 [0,2,0,0,0,0|1,0,1]=4 246 B14R1.6817 COCC(C)(O)CC1=CC=C(C=C1)Cl Z992444188 [0,2,0,0,0,0|2,0,0]=4 247 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [0,2,0,0,0,0|2,0,0]=4 249 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,2,0,0,0,0|2,0,0]=4 250 B14R1.7626 CC(C)C(C)(N)CC1=CC=C(C=C1)Cl Z513708450 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.7626 CC(C)C(C)(O)CC1=CC=C(C=C1)Cl Z513707888 [0,2,0,0,0,0|2,0,0]=4 252 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [0,2,0,0,0,0|2,0,0]=4 253 B14R1.4404 CC(N)C(C)(O)CC1=CC(=CC=C1)Br Z4908311483 [0,2,0,0,0,0|2,0,0]=4 254 B14R1.2883 CCC(C)(CC)C(N)C1=CC=CC=C1 Z5861974711 [0,2,0,0,0,0|1,0,0]=3 255 B14R1.2903 CC(C)(CO)C(CN)C1=CC=CC=C1 Z1478113556 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.5882 CC(C)(CC1=C(C=CC=C1)Br)C(=O)O Z995179654 [0,2,0,0,0,0|2,0,0]=4 257 B14R1.8844 CC(CN)(CC1=CC=CC=C1)C(=O)O Z1255428184 [0,2,0,0,0,0|2,0,0]=4 258 B14R1.8844 CC(O)C(C)(CN)CC1=CC=CC=C1 Z1259285438 [0,2,0,0,0,0|1,0,0]=3 259 B14R1.1485 CC(C)(CC(=O)O)CC1=CC=CC=C1 Z1251359785 [0,2,0,0,0,0|1,0,1]=4 260 B14R1.6936 CCC(CO)(CO)CC1=CC=CC=C1 Z1322543883 [0,2,0,0,0,0|1,0,0]=3 261 B14R1.6936 CC[N+](CC)(CC)CC1=CC=CC=C1 Z56871881 [0,2,0,0,0,0|2,0,0]=4 262 B12R2.18 CC1=NC2=C(N1C)C=CC=C2 Z53833319 [1,0,0,1,0,0|1,0,1]=4 263 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [1,0,0,1,0,0|2,0,0]=4 264 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [1,0,0,1,0,0|2,0,0]=4 265 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|2,0,0]=4 266 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [1,0,0,1,0,0|2,0,0]=4 267 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [1,0,0,1,0,0|1,0,1]=4 268 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [1,0,0,1,0,0|2,0,0]=4 269 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [1,0,0,1,0,0|2,0,0]=4 270 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [1,0,0,1,0,0|2,0,0]=4 271 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,1,0,0|2,0,0]=4 272 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,1,0,0|2,0,0]=4 273 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [1,0,0,1,0,0|0,0,0]=2 274 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [1,0,0,1,0,0|2,0,0]=4 275 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [1,0,0,1,0,0|2,0,0]=4 276 B12R2.24 CN1CC2=C(C=CC=C2)CN1 Z415677430 [1,0,0,1,0,0|1,0,0]=3 277 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [1,0,0,1,0,0|0,0,0]=2 278 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [1,0,0,1,0,0|1,0,1]=4 280 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [1,0,0,1,0,0|2,0,0]=4 281 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|0,0,0]=2 282 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|0,0,0]=2 283 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [1,0,0,1,0,0|2,0,0]=4 289 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [1,0,0,1,0,0|2,0,0]=4 290 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [1,0,0,1,0,0|2,0,0]=4 292 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [1,0,0,1,0,0|0,0,0]=2 293 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [1,0,0,1,0,0|2,0,0]=4 294 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [1,0,0,1,0,0|1,0,0]=3 295 B12R2.95 CC1(OC2=C(O1)C=CC=C2)C Z1255424302 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.48 CNC1(CC1)C2=CC=CC=C2 Z3841531244 [0,0,0,1,1,0|0,0,0]=2 297 B12R2.48 CNC1(CC1)C2=CN=CC=C2 Z3481471062 [0,0,0,1,1,0|1,0,0]=3 298 B12R2.48 NCC1(CC1)C2=CC=CC=C2 Z217306544 [0,0,0,1,1,0|2,0,0]=4 299 B12R2.48 O=CC1(CC1)C2=CC=CC=C2 Z1079097808 [0,0,0,1,1,0|2,0,0]=4 300 B12R2.48 OCC1(CC1)C2=CC=CC=C2 Z1033255944 [0,0,0,1,1,0|2,0,0]=4 301 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [0,0,0,1,1,0|2,0,0]=4 302 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [0,0,0,1,1,0|2,0,0]=4 303 B12R2.235 CC1(CC1N)C2=CC=CC=C2 Z1259335890 [0,0,0,1,1,0|2,0,0]=4 304 B12R2.2403 CC1(CCC2=C1C=CC=C2)N Z449371306 [0,0,0,1,1,0|2,0,0]=4 305 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,0,0,1,1,0|2,0,0]=4 306 B12R2.2403 CC1(CNC2=C1C=CC=C2)C Z1413780522 [0,0,0,1,1,0|2,0,0]=4 307 B12R2.120 CC1(CC2=C(CN1)SC=C2)C Z2242045399 [0,0,0,1,1,0|1,0,0]=3 308 B14R2.403 CC1(CC(CN1)C2=CC=CC=C2)C Z2894352774 [0,0,0,1,0,1|0,0,0]=2 309 B14R2.403 CC1(CNC(C1)C2=CC=CC=C2)C Z2353509602 [0,0,0,1,0,1|2,0,0]=4 310 B14R2.2973 CC1(CNC2=C(C1)C=CC=C2)CO Z3248142630 [0,0,0,1,0,1|2,0,0]=4 311 B14R2.6175 CC1(CCC2=C(C1=O)C=CC=C2)C Z1443585925 [0,0,0,1,0,1|2,0,0]=4 312 B14R2.6175 CC1(CNC2=C(C1=O)C=CC=C2)C Z3713132389 [0,0,0,1,0,1|2,0,0]=4 313 B14R2.158 NCC1(CC1)CC2=CC=C(C=C2)Br Z2522717989 [0,1,0,1,0,0|2,0,0]=4 314 B14R2.158 OCC1(CC1)CC2=CC=C(C=C2)Cl Z1270135324 [0,1,0,1,0,0|2,0,0]=4 315 B14R2.4404 CC1(CCC1C2=CC=C(C=C2)N)C Z5042712209 [0,1,0,1,0,0|1,0,0]=3 316 B14R2.4493 CC1(CC2=C(C=C(C=C2)Br)CN1)C Z5178963583 [0,1,0,1,0,0|0,0,0]=2 317 B14R2.4493 CC1(CCC2=C(O1)C=CC(=C2)Br)C Z1269217029 [0,1,0,1,0,0|2,0,0]=4 318 B14R2.4493 CC1(CCC2=C(O1)C=CC(=C2)N)C Z1255464148 [0,1,0,1,0,0|2,0,0]=4 319 B14R2.4493 CC1(CCC2=C(O1)C=CC(=C2)O)C Z1513804591 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.4493 CC1(OCC2=C(O1)C=CC(=C2)Br)C Z1416188056 [0,1,0,1,0,0|2,0,0]=4 321 B14R2.4493 CC1(OCC2=C(O1)C=CC(=C2)N)C Z1509498519 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.4504 CC1(CC2=C(C1=O)C=C(C=C2)Br)C Z1269122102 [0,1,0,1,0,0|2,0,0]=4 323 B14R2.4504 CC1(CC2=C(C1=O)C=C(C=C2)Cl)C Z1198318436 [0,1,0,1,0,0|2,0,0]=4 324 B14R2.4504 CC1(CC2=C(C1O)C=C(C=C2)Cl)C Z1198318541 [0,1,0,1,0,0|2,0,0]=4 325 B14R2.10622 CC1=CC=C(C=C1)CC2(CCC2)N Z5086662733 [0,1,0,1,0,0|2,0,0]=4 326 B14R2.10622 NC1(CCC1)CC2=CC=C(C=C2)Cl Z2182115495 [0,1,0,1,0,0|2,0,0]=4 327 B14R2.3491 NCC1(CC1)CC2=CC(=CC=C2)Cl Z2293606063 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.4491 CC1(CCC2=C(O1)C=C(C=C2)Br)C Z2681257284 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.4491 CC1(CCC2=C(O1)C=C(C=C2)N)C Z5039996915 [0,1,0,1,0,0|2,0,0]=4 330 B14R2.4491 CC1(CCC2=C(O1)C=C(C=C2)O)C Z839129166 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.4491 CC1=CC2=C(C=C1)CNC(C2)(C)C Z2234185694 [0,1,0,1,0,0|0,0,0]=2 332 B14R2.8039 CC1(CCC2=C(O1)C=CC=C2O)C Z1443585914 [0,1,0,1,0,0|2,0,0]=4 333 B14R2.8738 CC1(CC2=C(C1=O)C=CC(=C2)F)C Z1198318433 [0,1,0,1,0,0|2,0,0]=4 334 B14R2.8738 CC1(CC2=C(C1N)C=CC(=C2)Br)C Z4130155061 [0,1,0,1,0,0|2,0,0]=4 335 B14R2.333 CC1(CNCC1C2=CC=CC=C2)C Z1463351171 [0,1,0,1,0,0|0,0,0]=2 336 B14R2.441 CC1(C(=O)CC1C2=CC=CC=C2)C Z1436533434 [0,1,0,1,0,0|1,0,0]=3 337 B14R2.441 CC1(C(=O)NC1C2=CC=CC=C2)C Z1198154811 [0,1,0,1,0,0|2,0,0]=4 338 B14R2.3469 NCC1(CC1)C(O)C2=CC=CC=C2 Z1483793217 [0,1,0,1,0,0|2,0,0]=4 339 B14R2.639 CC1(CC2=C(C=CC=C2)NC1=O)C Z1258981363 [0,1,0,1,0,0|2,0,0]=4 340 B14R2.23192 CC1(CC2=C(C=CC=C2C1N)Br)C Z2159893803 [0,1,0,1,0,0|2,0,0]=4 341 B14R2.28474 CC1(CC2=C(C=CC=C2Br)CN1)C Z5408104788 [0,1,0,1,0,0|0,0,0]=2 342 B14R2.28474 CC1(CCC2=C(O1)C(=CC=C2)N)C Z2678024887 [0,1,0,1,0,0|2,0,0]=4 343 B14R2.28474 CC1=C2CC(NCC2=CC=C1)(C)C Z2234185660 [0,1,0,1,0,0|0,0,0]=2 344 B14R2.786 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O Z2298158000 [0,1,0,1,0,0|2,0,0]=4 345 B14R2.788 O=C(O)C1(CC1)CC2=CC=CC=C2 Z1255403792 [0,1,0,1,0,0|2,0,0]=4 346 B14R2.789 CC1(CC2=C(C1)C=CC=C2)C(=O)O Z1259317000 [0,1,0,1,0,0|2,0,0]=4 347 B14R2.4874 CC1(CC1(N)CC2=CC=CC=C2)C Z3490562131 [0,1,0,1,0,0|2,0,0]=4 348 B14R2.21280 CC(N)(CC1=CC=CC=C1)C2CC2 Z449374640 [0,1,0,1,0,0|2,0,0]=4 349 B14R2.193 CC1([C@H]([C@@H]1C2=CC=CC=C2)CN)C Z2286737524 [0,1,0,1,0,0|1,0,0]=3 350 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 Z1704732682 [0,1,0,1,0,0|0,0,0]=2 351 B14R2.411 NC1(CCCC1)CC2=CC=CC=C2 Z1655103589 [0,1,0,1,0,0|2,0,0]=4 352 B14R2.411 OC1(CCCC1)CC2=CC=CC=C2 Z449370862 [0,1,0,1,0,0|2,0,0]=4 353 B14R2.411 OC1(CCNC1)CC2=CC=CC=C2 Z3006329777 [0,1,0,1,0,0|1,0,0]=3 354 B14R2.431 NC1(CC(C1)O)CC2=CC=CC=C2 Z5231797795 [0,1,0,1,0,0|2,0,0]=4 355 B14R2.29496 CC1(CC(C2=C(O1)C=CC=C2)N)C Z1235966169 [0,1,0,1,0,0|2,0,0]=4 356 B14R2.29496 CC1(CC(C2=C(O1)C=CC=C2)O)C Z1198236295 [0,1,0,1,0,0|2,0,0]=4 357 B14R2.29496 CC1(NC(=O)C2=C(O1)C=CC=C2)C Z57183305 [0,1,0,1,0,0|1,0,1]=4 358 B14R2.29496 CC1=CC(NC2=C1C=CC=C2)(C)C Z57071665 [0,1,0,1,0,0|2,0,0]=4 359 B14R2.2972 NCC1(CCC1)CC2=CC=CC=C2 Z1407672948 [0,1,0,1,0,0|1,0,0]=3 360 B14R2.3510 NCC1(CC1C2=CC=CC=C2)CO Z2146515687 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,1,0|2,0,0]=4 362 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,1,0|2,0,0]=4 363 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,1,0|2,0,0]=4 364 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,1,0|2,0,0]=4 365 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,0,0,0,1,0|1,0,1]=4 366 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,0,0,0,1,0|1,0,1]=4 367 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,1,0|0,0,0]=2 368 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,0,0,0,1,0|1,0,0]=3 369 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,0,0,0,1,0|1,0,0]=3 370 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,1,0|2,0,0]=4 371 B10R1.27 CNC(C)CC1=CNN=C1 Z5095434431 [1,0,0,0,1,0|2,0,0]=4 372 B10R1.27 CNC(C)CC1=CSC=C1 Z1333043374 [1,0,0,0,1,0|1,0,0]=3 373 B10R1.28 CC(C)(Br)C1=CC=CC=C1 Z2520694454 [1,0,0,0,1,0|1,0,0]=3 374 B10R1.28 CC(C)(C)C1=CC=CC=C1 Z104478422 [1,0,0,0,1,0|0,0,0]=2 375 B10R1.28 CC(C)(N)C1=CC=CC=C1 Z336079658 [1,0,0,0,1,0|0,0,0]=2 376 B10R1.28 CC(C)(N)C1=NC=CC=N1 Z2235409543 [1,0,0,0,1,0|2,0,0]=4 377 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 Z431522400 [1,0,0,0,1,0|1,0,0]=3 378 B10R1.281 C[N+](C)(C)CC1=CC=CS1 Z94602023 [1,0,0,0,1,0|2,0,0]=4 379 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,0,0,0,0,1|2,0,0]=4 380 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [1,0,0,0,0,1|2,0,0]=4 381 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [1,0,0,0,0,1|2,0,0]=4 382 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [1,0,0,0,0,1|1,0,0]=3 383 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,0,0,0,0,1|1,0,0]=3 384 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,0,0,0,0,1|2,0,0]=4 385 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [1,0,0,0,0,1|2,0,0]=4 386 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [1,0,0,0,0,1|2,0,0]=4 387 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [1,0,0,0,0,1|2,0,0]=4 388 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,0,0,0,0,1|1,0,1]=4 389 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [1,0,0,0,0,1|1,0,1]=4 390 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [1,0,0,0,0,1|1,0,1]=4 391 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,0,0,0,0,1|1,0,1]=4 392 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,0,0,0,0,1|2,0,0]=4 393 B12R1.891 CC(C)(C)CNC1=CC=CC=C1 Z685843996 [1,0,0,0,0,1|0,0,0]=2 394 B12R1.891 CC(C)(C)CNC1=CN=CC=C1 Z803053840 [1,0,0,0,0,1|1,0,0]=3 395 B12R1.891 CC(C)(C)CNC1=NC=CC=C1 Z2242050769 [1,0,0,0,0,1|1,0,0]=3 396 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 Z56175285 [1,0,0,0,0,1|0,0,0]=2 397 B12R1.891 CC(C)(C)NCC1=CN=CC=C1 Z56175304 [1,0,0,0,0,1|1,0,0]=3 398 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 Z111725492 [1,0,0,0,0,1|1,0,0]=3 399 B12R1.891 CC(C)(N)CCC1=CC=CC=C1 Z1263529573 [1,0,0,0,0,1|0,0,0]=2 400 B12R1.891 CC(C)(N)CNC1=CC=CC=C1 Z801831906 [1,0,0,0,0,1|0,0,0]=2 401 B12R1.891 CC(C)(N)COC1=CC=CC=C1 Z4824791821 [1,0,0,0,0,1|0,0,0]=2 402 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [1,0,0,0,0,1|1,0,0]=3 403 B12R1.891 CC(C)(O)COC1=CC=CC=C1 Z600459798 [1,0,0,0,0,1|1,0,0]=3 404 B14R1.292 CC(C)(CN)CCCC1=CC=CC=C1 Z1696861472 [0,0,0,0,0,2|2,0,0]=4 405 B14R1.292 CCC(C)(O)CNCC1=CC=CC=C1 Z1020686292 [0,0,0,0,0,2|2,0,0]=4