0 B10R1.66 CC(=O)/C=C/C1=CC=CO1 Z57114540 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 CC(=O)NCC1=CC=CO1 Z31407850 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.66 CC(=O)NCC1=CC=CS1 Z29693692 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.66 CC(=O)NCC1=CC=NO1 Z1613960888 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 CC(C)NCC1=CC=CO1 Z90502205 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.66 CC(C)NCC1=CC=CS1 Z90502193 [0,0,0,0,0,0|1,1,0]=2 6 B10R1.66 CC(C)NCC1=CN=CS1 Z3243815927 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.66 CC(O)CCN1C=CC=N1 Z854216836 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 FC(F)SCC1=CC=CO1 Z55625933 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.66 NC(=O)NCC1=CC=CO1 Z56900771 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.66 NC(=S)NCC1=CC=CO1 Z56943723 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.12 CCNCC1=CC=CO1 Z90513169 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.12 CCNCC1=CN=CS1 Z3268542028 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.12 CCNCC1=COC=C1 Z385447452 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.12 CCNCC1=NC=CS1 Z2186882255 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.12 CCNCC1=NNC=C1 Z3300346845 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.12 CCOCC1=NC=CN1 Z1203819044 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.12 CNCCC1=CC=CS1 Z162416950 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.12 N#CCCC1=CC=CO1 Z1079179114 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.12 NCCCC1=NC=CO1 Z4966451613 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.12 S=C=NCC1=CC=CO1 Z56899048 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.25 CC(CO)SCC1=CSC=N1 Z1273053261 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.25 CCC(=O)NCC1=CC=CO1 Z31407962 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.25 CNC(=O)CCC1=CC=CO1 Z242124434 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.25 NCC(=O)NCC1=CC=CO1 Z850542566 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.25 O=C(CCl)NCC1=CC=CO1 Z56891404 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.35 CC(=O)N(C)CC1=CC=CO1 Z32456026 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.35 CC(C)C(=O)CN1C=CC=N1 Z1318422981 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.35 CN(C)C(=O)CC1=CC=CS1 Z32014360 [0,1,0,0,0,0|2,1,0]=4 30 B11R1.75 CC(C)CCC1=NN=C(O1)N Z351731380 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.75 CC(C)CCC1=NNC(=C1)N Z360168118 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.75 CC(C)CCC1=NOC(=C1)N Z360168676 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.75 CC(C)CCN1C=CC(=N1)N Z451325160 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.75 CC1=CC=C(O1)CCC(C)N Z1262252380 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.75 CC1=CC=C(O1)CNC(C)C Z600428342 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.75 CC1=CC=C(S1)CNC(C)C Z90502245 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.77 CC(C)/N=C(\Cl)/C1=CC=CS1 Z107334130 [0,1,0,0,0,0|1,1,1]=4 38 B11R1.77 CC(C)CC(=O)C1=CC=CS1 Z385420836 [0,1,0,0,0,0|1,1,1]=4 39 B11R1.77 CC(C)CC(N)C1=CC=CS1 Z744843972 [0,1,0,0,0,0|1,1,0]=3 40 B11R1.77 CC(C)NC(=O)C1=CC=CO1 Z31385863 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.77 CC(C)NC(C)C1=CSC=C1 Z954550612 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.77 CC(N)CC(=O)C1=CC=CO1 Z1407096406 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.77 CC(N)CC(O)C1=CC=CO1 Z1407654390 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.77 CC(N)CC(O)C1=CC=CS1 Z1488857996 [0,1,0,0,0,0|2,1,0]=4 45 B11R1.77 CN(C)CC(O)C1=CC=CS1 Z227830874 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.90 CC(C)CCN1N=CC=C1N Z210803760 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.90 CC(N)CCC1=CC=CN1C Z1259340319 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.90 CC1=C(SC=C1)CNC(C)C Z90502231 [0,1,0,0,0,0|1,1,0]=3 49 B11R2.36 CC1CN2N=CC=C2CN1 Z2574938525 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.385 C1=CC(=CS1)CNC2CC2 Z90517870 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.385 C1=CC(=NN1)CNC2CC2 Z3271811060 [0,0,0,1,0,0|3,0,0]=4 52 B11R2.385 C1=COC(=C1)CNC2CC2 Z90517838 [0,0,0,1,0,0|1,0,0]=2 53 B11R2.385 C1=CSC(=C1)CNC2CC2 Z90517826 [0,0,0,1,0,0|1,1,0]=3 54 B11R2.385 C1=CSC(=N1)CNC2CC2 Z1079004784 [0,0,0,1,0,0|2,1,0]=4 55 B11R2.385 C1=NC=C(S1)CNC2CC2 Z3223891269 [0,0,0,1,0,0|2,1,0]=4 56 B9R1.13 CC(C)CN1C=CC=N1 Z431509688 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.13 CC(C)SC1=NC=CN1 Z1203735020 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [0,0,0,0,1,0|1,1,0]=3 60 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.13 CC(N)CN1C=CC=N1 Z271011614 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.13 CC(O)CN1C=CC=N1 Z600458296 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.13 CN(C)CC1=CC=CN1 Z810541778 [0,0,0,0,1,0|2,0,0]=3 64 B9R1.13 O=C(O)CC1=CC=CO1 Z1179936226 [0,0,0,0,1,0|2,0,1]=4 65 B11R1.91 CC(C)CCC1=NC=CN=C1 Z1198147436 [0,0,0,0,0,1|2,0,0]=3 66 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [0,0,0,0,0,1|2,0,0]=3 69 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [0,0,0,0,0,1|2,0,0]=3 70 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,0,0,0,0,1|3,0,0]=4 72 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,0,0,0,0,1|3,0,0]=4 73 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.172 CC(C)NCCC1=NC=CS1 Z1104861366 [0,0,0,0,0,1|2,1,0]=4 75 B8R1.8 CCCC1=NC=CN1 Z1201043633 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.8 CNCC1=CC=CN1 Z102767010 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.8 CNCC1=CC=CO1 Z57051072 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.8 CNCC1=CC=CS1 Z56948283 [2,0,0,0,0,0|1,1,0]=4 79 B8R1.8 CNCC1=NC=CO1 Z5810628036 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.8 NCCC1=CC=CN1 Z810507730 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.8 NCCC1=CC=CO1 Z1694636467 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.8 NCCC1=CC=CS1 Z90662945 [2,0,0,0,0,0|1,1,0]=4 83 B8R1.8 NCCC1=NC=CO1 Z4925106850 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.8 OCCC1=CC=CO1 Z1179944660 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.8 OCCC1=CC=CS1 Z397587354 [2,0,0,0,0,0|1,1,0]=4 87 B10R1.11 COCC(N)C1=CC=CO1 Z271013116 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.16 CCNCC1=CC=C(S1)Br Z85920474 [1,1,0,0,0,0|1,1,0]=4 89 B10R1.16 CCNCC1=CC=C(S1)Cl Z57051062 [1,1,0,0,0,0|1,1,0]=4 90 B10R1.21 C#CCNCC1=CC=CO1 Z951367730 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [1,1,0,0,0,0|1,1,0]=4 92 B10R1.21 N#CCSCC1=CC=CO1 Z19635629 [1,1,0,0,0,0|0,0,1]=3 93 B10R1.21 NCCSCC1=CSC=C1 Z111412082 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.27 CCC(=O)CC1=CC=CS1 Z734152558 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.27 CCN(C)CC1=CC=CO1 Z5358972165 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.23 CC(C)C(N)C1=NC=CN1 Z1813098660 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.23 CC(C)C(O)C1=NC=CN1 Z4957133876 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.23 CC(Cl)C(=O)C1=CC=CO1 Z1255365914 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.54 CC(C)CC1=CN=C(S1)N Z1171158145 [0,1,0,0,1,0|1,1,0]=4 100 B10R1.54 CC(C)CC1=NN=C(O1)N Z285233910 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.54 CC(C)CC1=NNC(=C1)N Z360168054 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.54 CC(C)CC1=NOC(=C1)N Z360168616 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.54 CC(C)CN1C=C(C=N1)N Z318778306 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.54 CC1=CC=C(S1)CC(C)N Z381678020 [0,1,0,0,1,0|1,1,0]=4 105 B10R1.64 CC(C)CN1N=CC=C1N Z85923420 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.281 C[N+](C)(C)CC1=CC=CS1 Z94602023 [0,1,0,0,1,0|1,1,0]=4 107 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.21 CC(C)NCC1=CC=C(C=C1)Br Z86129856 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.21 CC(C)NCC1=CC=C(C=C1)F Z86129862 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [0,1,0,0,0,1|1,1,0]=4 111 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [0,1,0,0,0,1|1,1,0]=4 112 B12R1.21 CC(C)SCC1=CC=C(C=C1)Br Z54548572 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,1,0,0,0,1|1,1,0]=4 114 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 Z513795936 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.125 CC(C)NCC1=C(C=CC=C1)F Z86129898 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.125 CC(C)OCC1=C(C=CC=C1)N Z285178240 [0,1,0,0,0,1|1,1,0]=4 121 B12R1.226 CC(C)NCC1=CC(=CC=C1)Br Z86129864 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.226 CC(C)NCC1=CC(=CC=C1)Cl Z86129878 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.226 CC(C)NCC1=CC(=CC=C1)F Z86129899 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.226 CC(C)OCC1=CC(=CC=C1)Br Z823855536 [0,1,0,0,0,1|1,1,0]=4 125 B12R1.226 CC(C)OCC1=CC(=CC=C1)N Z285178238 [0,1,0,0,0,1|1,1,0]=4 126 B12R1.226 CC(C)SCC1=CC(=CC=C1)N Z600446400 [0,1,0,0,0,1|1,0,0]=3 127 B12R1.226 CC1=CN=CC(=N1)CCC(C)C Z2216712586 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 Z56175285 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.891 CC(C)(C)NCC1=CN=CC=C1 Z56175304 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 Z111725492 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.891 CC(C)(N)CCC1=CC=CC=C1 Z1263529573 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.264 CC(C)C(=O)NCC1=CC=CS1 Z29693707 [0,1,0,0,0,1|1,1,0]=4 134 B12R1.264 CC(Cl)C(=O)NCC1=CC=CO1 Z56921101 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.264 CC(N)C(=O)NCC1=CC=CO1 Z134991794 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.264 CN(C)C(=O)CCC1=CC=CO1 Z218164884 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.104 CC(C)N(C)CC1=CC(=CS1)Cl Z2921047637 [0,2,0,0,0,0|1,1,0]=4 138 B12R1.59 O=CC1=CC=C(O1)CSC(F)F Z56946909 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.103 CC(C)NC(=O)C1=CC=C(O1)Br Z31386045 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.103 CC(C)NC(=O)C1=CC=C(O1)Cl Z79388909 [0,2,0,0,0,0|1,0,1]=4 141 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [0,0,1,1,0,0|1,0,1]=4 142 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [0,0,1,1,0,0|1,0,1]=4 143 B10R2.7 C1=CC2=C(N1)CCCC2 Z274765016 [1,0,0,1,0,0|2,0,0]=4 144 B10R2.7 C1=NOC2=C1CCNC2 Z4635781834 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,0,0,1,0,1|2,0,0]=4 147 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,0,0,1,0,1|2,0,0]=4 148 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [0,0,0,1,0,1|1,1,0]=4 149 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 Z90517863 [0,0,0,1,0,1|2,0,0]=4 150 B12R2.2057 C1=CC(=CN=C1)CNC2CC2 Z90517827 [0,0,0,1,0,1|2,0,0]=4 151 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 Z90517825 [0,0,0,1,0,1|2,0,0]=4 152 B12R2.2383 C1=COC(=C1)COCC2CO2 Z56346885 [0,0,0,1,0,1|1,1,0]=4 153 B12R2.2298 CC1=NC=C(O1)CNC2CC2 Z4760824676 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.2298 CC1=NOC(=C1)CNC2CC2 Z235643844 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.2074 CC(NC1CC1)C2=CC=CO2 Z812516902 [0,1,0,1,0,0|1,0,0]=3 156 B12R2.120 CC1(CC2=C(CN1)SC=C2)C Z2242045399 [0,1,0,1,0,0|1,1,0]=4 157 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [0,0,0,0,2,0|0,1,0]=3 158 B8R1.7 CC(C)C1=NC=CN1 Z335243296 [0,0,0,0,2,0|2,0,0]=4 159 B8R1.7 CC(C)C1=NNC=C1 Z815437700 [0,0,0,0,2,0|2,0,0]=4 160 B8R1.7 CC(C)N1C=CC=N1 Z802540402 [0,0,0,0,2,0|2,0,0]=4 161 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [0,0,0,0,2,0|2,0,0]=4 162 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [0,0,0,0,2,0|1,0,0]=3 163 B8R1.7 CC(N)C1=CC=CS1 Z119974474 [0,0,0,0,2,0|1,1,0]=4 164 B8R1.7 CC(N)C1=NC=CO1 Z1962224571 [0,0,0,0,2,0|2,0,0]=4 165 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,0,0,0,2,0|1,1,0]=4 166 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [0,0,0,0,2,0|1,0,0]=3 167 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,1|2,0,0]=4 168 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,1|2,0,0]=4 169 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,0,0,0,0,1|2,0,0]=4 170 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,0,0,0,0,1|2,0,0]=4 171 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,0,0,0,0,1|1,0,0]=3 172 B12R1.255 CN(C)CCNCC1=CC=CO1 Z90512819 [0,0,0,0,0,2|2,0,0]=4