0 B13R1.386 CCNC1=CC=C(OC)C(OC)=C1 SC-59553 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.386 COC1=CC=C(CCS)C=C1OC SC-25120 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.386 COC1=CC=C(N=C=S)C=C1OC SC-53305 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.78 COC1=CC(CBr)=CC=C1C#N SC-32052 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.78 COC1=CC(CN)=CC=C1CBr SC-43120 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.78 COC1=CC=C(C=O)C=C1CCl SC-18545 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.78 COC1=CC=C(CS)C=C1OC SC-87950 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.286 COC1=C(C)C=CC(CCN)=C1 SC-39727 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.286 COC1=C(C)C=CC(CNN)=C1 SC-59943 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.286 COC1=CC(CC#N)=CC=C1C SC-52253 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.286 COC1=CC(CC=O)=CC=C1F SC-60140 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.286 COC1=CC(CNN)=CC=C1Br SC-62626 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.286 COC1=CC(CNN)=CC=C1F SC-59931 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.288 COC1=C(C)C=C(CNN)C=C1 SC-59096 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.288 COC1=CC=C(CC#N)C=C1F SC-65630 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.288 COC1=CC=C(CC#N)C=C1N SC-61835 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.288 COC1=CC=C(CCBr)C=C1C SC-60138 [1,0,0,0,0,0|1,0,1]=3 17 B12R1.288 COC1=CC=C(CCBr)C=C1F SC-45696 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.288 COC1=CC=C(CCCl)C=C1F SC-60106 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.288 COC1=CC=C(CCN)C=C1Br SC-40405 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.288 COC1=CC=C(CCN)C=C1C SC-40940 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.288 COC1=CC=C(CCO)C=C1C SC-60137 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.288 COC1=CC=C(CCO)C=C1F SC-45695 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.288 COC1=CC=C(CNN)C=C1Br SC-59082 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.288 COC1=CC=C(CNN)C=C1F SC-59087 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.288 COC1=CC=C(CNN)C=C1O SC-59093 [1,0,0,0,0,0|2,0,0]=3 26 B14R1.793 CCCNC1=CC=C(OC)C(OC)=C1 SC-59554 [0,1,0,0,0,0|0,0,2]=3 27 B14R1.793 COC1=CC=C(CCNN)C=C1OC SC-60008 [0,1,0,0,0,0|1,0,1]=3 28 B14R1.1864 COC1=C(OC)C=C(\C(N)=N/O)C=C1 SC-56320 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.1864 COC1=CC=C(C(C)NN)C=C1OC SC-38569 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.1864 COC1=CC=C(\C(N)=N\O)C=C1OC SC-60915 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.3651 COC1=C(OC)C=C(CC(N)=S)C=C1 SC-16813 [0,1,0,0,0,0|1,0,0]=2 32 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC SC-40515 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.3651 COC1=CC=C(NC(=N)N)C=C1OC SC-26190 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.3651 COC1=CC=C(NC(N)=S)C=C1OC SC-64732 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.6788 C\C=C\C1=CC(OC)=C(OCC)C=C1 SC-49145 [0,1,0,0,0,0|0,0,2]=3 36 B14R1.10285 COC1=CC=C(CNN)C(F)=C1OC SC-42212 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.14946 COC1=C(OC)C=C(CCBr)C(Br)=C1 SC-34637 [0,1,0,0,0,0|1,0,1]=3 38 B14R1.14946 COC1=C(OC)C=C(CNN)C(Br)=C1 SC-62691 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.14946 COC1=C(OC)C=C(CNN)C(F)=C1 SC-41311 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.112 NNCC1=CC=C2OCCOC2=C1 SC-41784 [0,0,0,1,0,0|2,0,0]=3 41 B14R2.112 NNCC1=CC=C2OCCOC2=C1 SC-59030 [0,0,0,1,0,0|2,0,0]=3 42 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 SC-48887 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.37 COC1=CC=C(C)C=C1C#N SC-42995 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.37 COC1=CC=C(C)C=C1NN SC-54430 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.37 COC1=CC=C(N)C=C1OC SC-49843 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.37 COC1=CC=C(S)C=C1OC SC-78742 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.279 CCC1=CC=C(OC)C(N)=C1 SC-51846 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.279 COC1=C(C)C=C(CN)C=C1 SC-59164 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.279 COC1=C(N)C=C(CN)C=C1 SC-47312 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.279 COC1=CC=C(CCl)C=C1F SC-62415 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.279 COC1=CC=C(CN)C=C1O SC-12420 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.279 COC1=CC=C(CO)C=C1Br SC-38782 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.279 COC1=CC=C(NN)C=C1O SC-43309 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.280 CCC1=CC(OC)=C(O)C=C1 SC-62209 [2,0,0,0,0,0|0,0,1]=3 55 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 SC-35887 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.280 COC1=C(F)C=CC(CBr)=C1 SC-82732 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.280 COC1=C(O)C=CC(C=O)=C1 SC-19021 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.280 COC1=CC(C=O)=CC=C1Cl SC-26356 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.280 COC1=CC(CN)=CC=C1F SC-40576 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.280 COC1=CC(CO)=CC=C1Br SC-89021 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.280 COC1=CC(CO)=CC=C1Cl SC-22352 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.280 COC1=CC(CO)=CC=C1N SC-47685 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.189 COC1=CC=CC(CCCl)=C1 SC-62719 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.192 C=CCC1=CC=C(F)C(Br)=C1 SC-14492 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.192 CC1=CC=C(CCN)C=C1C SC-14249 [2,0,0,0,0,0|1,0,1]=4 66 B11R1.192 CC1=CC=C(CNN)C=C1C SC-60052 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.192 CNCC1=CC=C(C)C(C)=C1 SC-87967 [2,0,0,0,0,0|1,0,1]=4 68 B11R1.192 N#CCC1=CC=C(O)C(O)=C1 SC-51452 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.192 NCCC1=CC=C(O)C(O)=C1 SC-16285 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.192 NNCC1=CC=C(O)C(O)=C1 SC-59092 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.83 CCC1=CC=C(CC=O)C=C1 SC-45697 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.83 COC1=CC=C(CCBr)C=C1 SC-48565 [2,0,0,0,0,0|1,0,1]=4 73 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 SC-47202 [2,0,0,0,0,0|0,0,2]=4 74 B13R1.355 CCOC1=CC(CN)=CC=C1OC SC-59170 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.355 CCOC1=CC(CO)=CC=C1OC SC-62166 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.434 COC1=C(OC)C(Br)=CC(CN)=C1 SC-12418 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.434 COC1=C(OC)C(Cl)=CC(C#N)=C1 SC-39939 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.434 COC1=C(OC)C(Cl)=CC(CCl)=C1 SC-40317 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.434 COC1=C(OC)C(Cl)=CC(CN)=C1 SC-40332 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.434 COC1=C(OC)C(Cl)=CC(CO)=C1 SC-40337 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 SC-59139 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.2200 COC1=C(OC)C=C(CCl)C(Br)=C1 SC-40580 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 SC-65082 [1,1,0,0,0,0|0,0,1]=3 84 B13R1.3091 COC1=CC=C(C(=N)N)C=C1OC SC-40586 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.3091 COC1=CC=C(C(=N)N)C=C1OC SC-50911 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.3091 COC1=CC=C(C(C)=S)C=C1OC SC-42007 [1,1,0,0,0,0|0,0,1]=3 87 B13R1.3091 COC1=CC=C(C(C)O)C=C1OC SC-27225 [1,1,0,0,0,0|0,0,1]=3 88 B13R1.3091 COC1=CC=C(C(N)=S)C=C1OC SC-58320 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.49 COC1=C(O)C=CC(C(C)NN)=C1 SC-38832 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 SC-26497 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.52 COC1=CC(CC(=N)N)=CC=C1C SC-39728 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.52 COC1=CC(CC(=N)N)=CC=C1O SC-40469 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.52 COC1=CC(CC(=O)O)=CC=C1C SC-71293 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.384 CCOC1=CC(CCN)=CC=C1O SC-40520 [1,1,0,0,0,0|1,0,1]=4 95 B13R1.575 COC1=CC(CCC=O)=CC=C1C SC-42154 [1,1,0,0,0,0|0,0,1]=3 96 B13R1.575 COC1=CC(CCCCl)=CC=C1C SC-42392 [1,1,0,0,0,0|0,0,2]=4 97 B13R1.575 COC1=CC(CCCO)=CC=C1C SC-42246 [1,1,0,0,0,0|0,0,2]=4 98 B13R1.4030 COC1=C(O)C(Br)=CC(CC#N)=C1 SC-54122 [1,1,0,0,0,0|1,0,1]=4 99 B13R1.4030 COC1=C(O)C(Br)=CC(CCN)=C1 SC-39881 [1,1,0,0,0,0|1,0,1]=4 100 B13R1.4030 COC1=C(O)C(Br)=CC(CNN)=C1 SC-59066 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.4030 COC1=C(O)C(I)=CC(CNN)=C1 SC-39259 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.35 COC1=CC=C(CC(=N)N)C=C1Br SC-39008 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.35 COC1=CC=C(CC(=O)O)C=C1Br SC-22595 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.35 COC1=CC=C(CC(=O)O)C=C1F SC-69991 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.388 C\C=C\C1=CC(O)=C(OCC)C=C1 SC-49337 [1,1,0,0,0,0|0,0,2]=4 106 B13R1.577 COC1=CC=C(CCNN)C=C1C SC-60139 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.2901 COC1=C(C)C=C(CC#N)C(C)=C1 SC-21567 [1,1,0,0,0,0|1,0,1]=4 108 B13R1.2901 COC1=C(C)C=C(CNN)C(C)=C1 SC-59084 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.3088 COC1=CC=C(C(C)NN)C=C1C SC-38621 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.3088 COC1=CC=C(C(C)NN)C=C1O SC-39581 [1,1,0,0,0,0|2,0,0]=4 111 B15R1.815 COC1=C(OC)C=C(C(=O)CC#N)C=C1 SC-59593 [0,2,0,0,0,0|1,0,1]=4 112 B15R1.3769 CCC(=O)CC1=CC(OC)=C(OC)C=C1 SC-49147 [0,2,0,0,0,0|0,0,1]=3 113 B15R1.3769 COC(=O)CC1=CC=C(OC)C(OC)=C1 SC-35867 [0,2,0,0,0,0|0,0,1]=3 114 B15R1.3769 COC1=CC=C(CC(=N)NO)C=C1OC SC-56271 [0,2,0,0,0,0|1,0,0]=3 115 B15R1.3769 COC1=CC=C(CC(=O)CBr)C=C1OC SC-33660 [0,2,0,0,0,0|0,0,1]=3 116 B15R1.3769 COC1=CC=C(C\C(N)=N\O)C=C1OC SC-60937 [0,2,0,0,0,0|1,0,0]=3 117 B15R1.1827 COC1=C(OC)C=C(C(C)NN)C(O)=C1 SC-39767 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.1849 COC1=CC=C(C(C)NN)C(O)=C1OC SC-40051 [0,2,0,0,0,0|2,0,0]=4 119 B15R1.12853 COC1=CC=C(C(N)C(=O)O)C=C1OC SC-59499 [0,2,0,0,0,0|1,0,0]=3 120 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC SC-13300 [0,2,0,0,0,0|1,0,1]=4 121 B15R1.3705 COC1=CC(CCBr)=CC(OC)=C1OC SC-12849 [0,2,0,0,0,0|1,0,1]=4 122 B15R1.3705 COC1=CC(CCCl)=CC(OC)=C1OC SC-60205 [0,2,0,0,0,0|1,0,1]=4 123 B15R1.3705 COC1=CC(CCO)=CC(OC)=C1OC SC-26233 [0,2,0,0,0,0|1,0,1]=4 124 B15R1.3705 COC1=CC(CNN)=CC(OC)=C1OC SC-40439 [0,2,0,0,0,0|2,0,0]=4 125 B15R1.3705 COC1=CC(CNN)=CC(OC)=C1OC SC-41371 [0,2,0,0,0,0|2,0,0]=4 126 B15R1.1799 COC1=C(OC)C=C(CC(=N)N)C(Br)=C1 SC-38871 [0,2,0,0,0,0|1,0,0]=3 127 B15R1.1799 COC1=CC(Br)=C(CC(=O)O)C=C1OC SC-62486 [0,2,0,0,0,0|1,0,0]=3 128 B15R1.9641 CCOC1=C(OCC)C=C(CCN)C=C1 SC-57878 [0,2,0,0,0,0|1,0,1]=4 129 B15R1.9641 CCOC1=C(OCC)C=C(CNN)C=C1 SC-41410 [0,2,0,0,0,0|2,0,0]=4 130 B15R1.9641 CCOC1=CC=C(CC#N)C=C1OCC SC-54190 [0,2,0,0,0,0|1,0,1]=4 131 B15R1.9656 COC1=C(OC(F)F)C=C(CNN)C=C1 SC-60073 [0,2,0,0,0,0|2,0,0]=4 132 B15R1.16568 COC1=C(OC)C(OC)=C(CCN)C=C1 SC-49889 [0,2,0,0,0,0|1,0,1]=4 133 B15R1.16568 COC1=CC=C(CCN)C(OC)=C1OC SC-38603 [0,2,0,0,0,0|1,0,1]=4 134 B15R1.16568 COC1=CC=C(CNN)C(OC)=C1OC SC-41508 [0,2,0,0,0,0|2,0,0]=4 135 B15R1.27356 COC1=CC(OC)=C(OC)C=C1CNN SC-60064 [0,2,0,0,0,0|2,0,0]=4 136 B15R1.27356 C\C=C\C1=C(OC)C=C(OC)C(OC)=C1 SC-19253 [0,2,0,0,0,0|0,0,2]=4 137 B13R2.57 ClCC1=CC2=C(C=C1)OCCO2 SC-30225 [1,0,0,1,0,0|1,0,0]=3 138 B13R2.57 ClCC1=CC2=C(C=C1)OCCO2 SC-40350 [1,0,0,1,0,0|1,0,0]=3 139 B13R2.57 ClCC1=CC=C2OCCCC2=C1 SC-57435 [1,0,0,1,0,0|2,0,0]=4 140 B13R2.57 N#CC1=CC2=C(C=C1)OCCO2 SC-42557 [1,0,0,1,0,0|1,0,1]=4 141 B13R2.57 NCC1=CC=C2NCCOC2=C1 SC-30086 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.57 NNC1=CC=C2OCCOC2=C1 SC-12381 [1,0,0,1,0,0|2,0,0]=4 143 B13R2.57 OCC1=CC2=C(C=C1)OCCN2 SC-30142 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 SC-52257 [1,0,0,1,0,0|1,0,0]=3 145 B13R2.57 OCC1=CC2=C(C=N1)OCCO2 SC-34005 [1,0,0,1,0,0|2,0,0]=4 146 B13R2.57 OCC1=CC=C2NCCOC2=C1 SC-29831 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.57 OCC1=CC=C2OCCCC2=C1 SC-57434 [1,0,0,1,0,0|2,0,0]=4 148 B13R2.57 [C-]#[N+]C1=CC=C2OCCOC2=C1 SC-53276 [1,0,0,1,0,0|1,0,1]=4 149 B13R2.449 N#CCC1=CC=C2OCOC2=C1 SC-80540 [1,0,0,1,0,0|1,0,1]=4 150 B13R2.449 NNCC1=CC=C2OCOC2=C1 SC-59028 [1,0,0,1,0,0|2,0,0]=4 151 B13R2.449 O=CCC1=CC=C2OCCC2=C1 SC-61391 [1,0,0,1,0,0|2,0,0]=4 152 B13R2.599 COC1=CC2=C(C=CN2)C=C1F SC-53085 [1,0,0,1,0,0|2,0,0]=4 153 B13R2.599 COC1=CC2=C(C=CN2)C=C1O SC-50494 [1,0,0,1,0,0|1,0,0]=3 154 B13R2.84 COC1=C(C)C2=C(C=CN2)C=C1 SC-22307 [1,0,0,1,0,0|1,0,1]=4 155 B13R2.84 COC1=C(Cl)C2=C(C=C1)NC=C2 SC-70877 [1,0,0,1,0,0|2,0,0]=4 156 B15R2.20737 COC1=C(OC)C=C2C(=C1)CC2CN SC-24211 [0,1,0,1,0,0|0,0,2]=4 157 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)NN2 SC-57367 [0,1,0,1,0,0|2,0,0]=4 158 B15R2.1601 CC(NN)C1=CC=C2OCCOC2=C1 SC-38833 [0,1,0,1,0,0|2,0,0]=4 159 B15R2.4367 C=CCC1=CC2=C(OCO2)C(OC)=C1 SC-21462 [0,1,0,1,0,0|0,0,0]=2 160 B15R2.4367 COC1=C2OCOC2=CC(CCCl)=C1 SC-60088 [0,1,0,1,0,0|1,0,1]=4 161 B15R2.4367 COC1=C2OCOC2=CC(CNN)=C1 SC-59026 [0,1,0,1,0,0|2,0,0]=4 162 B15R2.1668 NC(=S)NC1=CC=C2OCCOC2=C1 SC-64734 [0,1,0,1,0,0|2,0,0]=4 163 B15R2.2035 COC1=CC2=C(C=C1OC)NC(=O)C2 SC-31828 [0,1,0,1,0,0|1,0,0]=3 164 B15R2.10338 NNCC1=CC=C2OCCCOC2=C1 SC-41545 [0,1,0,1,0,0|2,0,0]=4 165 B15R2.888 NNCC1=C(Br)C=C2OCCOC2=C1 SC-61175 [0,1,0,1,0,0|2,0,0]=4 166 B13R1.358 COC1=CC(CC=O)=CC(OC)=C1 SC-60136 [0,0,0,0,1,1|1,0,0]=3 167 B13R1.358 COC1=CC(CCBr)=CC(OC)=C1 SC-60133 [0,0,0,0,1,1|1,0,1]=4 168 B13R1.358 COC1=CC(CCCl)=CC(OC)=C1 SC-60134 [0,0,0,0,1,1|1,0,1]=4 169 B13R1.358 COC1=CC(CCN)=CC(OC)=C1 SC-40727 [0,0,0,0,1,1|1,0,1]=4 170 B13R1.358 COC1=CC(CCO)=CC(OC)=C1 SC-60131 [0,0,0,0,1,1|1,0,1]=4 171 B13R1.358 COC1=CC(CNN)=CC(OC)=C1 SC-41506 [0,0,0,0,1,1|2,0,0]=4 172 B13R1.3911 COC1=C(OC)C(CNN)=CC=C1 SC-40931 [0,0,0,0,1,1|2,0,0]=4