0 B12R1.4 C#CC1=CC=C(C=C1)OC(C)C Z1080385566 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CC(C)CC1=NC=C(C=C1)C=O Z2732484016 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.4 CC(C)NC1=CC=C(C=C1)CN Z4905251594 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.4 CC(C)OC1=CC=C(C=C1)C#N Z53834533 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.4 CC(O)CC1=CC=C(C=C1)C=O Z1511913303 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N Z271134316 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.4 CCC1=CC=C(C=C1)NC(C)C Z266668684 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N Z54750053 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.4 CN(C)CC1=CC=C(C=C1)C=O Z1065726000 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C Z335252368 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,0,0,0,0,0|1,0,1]=2 20 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,0,0,0,0,0|2,0,1]=3 21 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.4 COC1=CC=C(C=C1)NC(=N)N Z118438372 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.4 COC1=CC=C(C=C1)NC(=S)N Z56921428 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,0,0,0,0,0|2,0,1]=3 27 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.4 COC1=NC=C(C=C1)CC(=O)C Z1216822629 [0,0,0,0,0,0|2,0,1]=3 29 B12R1.4 COC1=NC=C(C=C1)NC(=O)C Z26413930 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [0,0,0,0,0,0|2,1,1]=4 31 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C Z25066204 [0,0,0,0,0,0|2,1,1]=4 32 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)N Z982774006 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,0,0,0,0,0|0,0,0]=1 44 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.20 CC1=CC=C(C=C1)NC(=S)N Z57965505 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.83 C#CC1=CC=C(C=C1)CCN Z4634952920 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.83 C#CC1=CC=C(C=C1)OCC Z1080385490 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.83 C/C=C/C1=CC=C(C=C1)OC Z2315575049 [1,0,0,0,0,0|0,0,2]=3 61 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.83 CCNC1=CC=C(C=C1)C#N Z126933712 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.83 CCNC1=CC=C(C=C1)CC Z286410160 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.83 CCNC1=CC=C(C=C1)CN Z954985480 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.83 CCNC1=CN=C(C=C1)OC Z334876678 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.83 CCOC1=CC=C(C=C1)C#N Z53834532 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.83 CCOC1=CC=C(C=C1)C=O Z53833126 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.83 CCOC1=CC=C(C=C1)NC Z335255846 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.83 CCSC1=CC=C(C=C1)C#N Z332378580 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.83 CNCC1=CC=C(C=C1)C#N Z123857104 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.83 CNCC1=CC=C(C=C1)SC Z56960262 [1,0,0,0,0,0|1,1,0]=3 77 B11R1.83 CNCC1=CN=C(C=C1)OC Z2490025030 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.83 CNCC1=NC=C(C=C1)OC Z1849014421 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.83 COC1=CC=C(C=C1)/C=N/O Z49568452 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [1,0,0,0,0,0|0,0,2]=3 81 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [1,0,0,0,0,0|1,0,1]=3 82 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,0,0,0,0,0|0,0,0]=1 83 B11R1.83 COC1=CC=C(C=C1)N=C=S Z56921427 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.83 COC1=NC=C(C=C1)CC#N Z1198263571 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.83 COC1=NC=C(C=N1)CCO Z1198265089 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.83 COCC1=CC=C(C=C1)C#N Z295205408 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.83 COCC1=CC=C(C=C1)C=O Z1198331617 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.83 COCC1=CC=C(C=C1)CN Z240084734 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.83 CSC1=CC=C(C=C1)CC#N Z1114998149 [1,0,0,0,0,0|0,1,2]=4 91 B11R1.83 CSC1=CC=C(C=C1)CC=O Z1198331627 [1,0,0,0,0,0|1,1,1]=4 92 B11R1.83 CSC1=NC=C(C=N1)CCN Z1198277445 [1,0,0,0,0,0|2,1,0]=4 93 B11R1.83 CSCC1=CC=C(C=C1)C#N Z432419878 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.83 CSCC1=CC=C(C=C1)C=O Z2216784275 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.83 CSCC1=CC=C(C=C1)SC Z599630492 [1,0,0,0,0,0|1,1,0]=3 96 B11R1.83 N#CC1=CC=C(C=C1)CCN Z1741971794 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.83 N#CC1=CC=C(C=C1)CCO Z964982550 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [1,0,0,0,0,0|3,0,0]=4 100 B13R1.4 CC(C)(N)CC1=CC=C(C=C1)C#N Z2855150945 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.4 CCC1=CC=C(C=C1)CS(=O)(=O)N Z905070786 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)N Z1117893987 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.4 COC1=CC=C(C=C1)CS(=O)(=O)F Z2732843735 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC Z104757974 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.5 COC1=CC=C(C=C1)/C=C(\C)/C=O Z2417557210 [0,1,0,0,0,0|1,0,2]=4 106 B13R1.5 COC1=CC=C(C=C1)C/C(=N/O)/N Z285225846 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN Z56347401 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.5 COC1=CC=C(C=C1)CC(=O)NO Z59182049 [0,1,0,0,0,0|1,0,1]=3 109 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl Z56862381 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.5 COC1=CC=C(C=C1)NC(=O)CN Z46280202 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN Z56827765 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC Z56757835 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.5 COC1=CC=C(C=C1)OC(C)CN Z844632002 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.35 COC1=C(C=C(C=C1)CC(=N)N)F Z1263602367 [0,1,0,0,0,0|1,0,1]=3 116 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Cl Z1205414415 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F Z94598730 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O Z1065613560 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.35 COC1=C(C=C(C=C1)CC(C)N)O Z4574899614 [0,1,0,0,0,0|0,0,0]=1 120 B13R1.35 COC1=C(C=C(C=C1)NC(=S)N)Cl Z291279070 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.35 COC1=C(C=C(C=C1)NC(C)C)F Z1262254324 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.36 CCC1=CC=C(C=C1)C(=O)C(C)C Z385417736 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.36 CCC1=CC=C(C=C1)C(=O)C(C)Cl Z56921769 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.36 CCC1=CC=C(C=C1)C(N)C(C)C Z90121786 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br Z325370254 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)C Z385418276 [0,1,0,0,0,0|1,0,1]=3 127 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Cl Z56968902 [0,1,0,0,0,0|1,0,1]=3 128 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)C Z1276728136 [0,1,0,0,0,0|1,0,1]=3 129 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)O Z792377298 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.36 COC1=CC=C(C=C1)C(N)C(=O)O Z56755722 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)C Z99599002 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)O Z3037763603 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.36 COC1=CC=C(C=C1)C(N)C(F)F Z3377874365 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.36 COC1=CC=C(C=C1)C(O)C(C)N Z1526453885 [0,1,0,0,0,0|0,0,0]=1 135 B13R1.36 COC1=CC=C(C=C1)N(C)C(=O)N Z905094782 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.142 CC(C)CC1=CC=C(C=C1)CCN Z3506600787 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.142 CC(C)OC1=CC=C(C=C1)CCN Z239604696 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O Z56877838 [0,1,0,0,0,0|2,0,1]=4 139 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C Z27807932 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N Z56754688 [0,1,0,0,0,0|2,0,1]=4 141 B13R1.142 CNCC1=CC=C(C=C1)CC(C)C Z5781254077 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.142 CNCC1=CC=C(C=C1)CN(C)C Z163668448 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.585 CC(=O)C1=CC=C(C=C1)CC(C)C Z104484764 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.585 CC(=O)C1=CC=C(C=C1)CN(C)C Z1198272465 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.585 CC(=O)C1=CC=C(C=C1)OC(C)C Z53832962 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.585 CC(=O)C1=CC=C(C=C1)SC(C)C Z600447052 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O Z57052892 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.585 CC(C)CC1=CC=C(C=C1)C(C)N Z90122600 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.585 CC(C)CC1=CC=C(C=C1)C(C)O Z228586258 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.585 CC(C)OC1=CC=C(C=C1)C(C)N Z239627268 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.585 CC(C)OC1=CC=C(C=C1)[C@H](C)N Z360056026 [0,1,0,0,0,0|3,0,0]=4 152 B13R1.585 CC(C)SC1=CC=C(C=C1)C(C)N Z600447098 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.585 CC(N)CC1=CC=C(C=C1)N(C)C Z969560732 [0,1,0,0,0,0|1,0,0]=2 154 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)C Z1198160688 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)Cl Z1269126399 [0,1,0,0,0,0|2,0,1]=4 156 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)F Z1201623880 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C Z56871751 [0,1,0,0,0,0|2,0,1]=4 158 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N Z239120272 [0,1,0,0,0,0|2,0,1]=4 159 B13R1.653 COC1=CC(=C(C=C1)NC(=O)N)I Z1875070570 [0,1,0,0,0,0|2,0,1]=4 160 B13R1.653 COC1=CC(=C(C=C1)OC(C)C)N Z239604782 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.653 COC1=CC(=C(C=C1)OC(F)F)N Z234897025 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.16 COC1=CC=C(C=C1)C2OC2C Z278165290 [0,0,0,1,0,0|1,0,0]=2 163 B13R2.16 COC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2298098001 [0,0,0,1,0,0|0,0,0]=1 164 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C Z2527564242 [0,0,0,1,0,0|1,0,0]=2 165 B13R2.184 NCC1=CC=C(C=C1)CC2CC2 Z3409173944 [0,0,0,1,0,0|3,0,0]=4 166 B13R2.184 O=CC1=CC=C(C=C1)CC2CC2 Z1216844691 [0,0,0,1,0,0|3,0,0]=4 167 B13R2.2121 CC1CC2=C(N1)C=C(C=C2)CN Z5644794909 [0,0,0,1,0,0|2,0,0]=3 168 B13R2.2121 CC1CC2=C(O1)C=C(C=C2)C=O Z1813113716 [0,0,0,1,0,0|3,0,0]=4 169 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)C Z90123542 [0,0,0,1,0,0|2,0,1]=4 170 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)N Z56756338 [0,0,0,1,0,0|2,0,1]=4 171 B13R2.2121 COC1=CC2=C(C=C1)NC(=C2)C Z1197882538 [0,0,0,1,0,0|2,0,1]=4 172 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)C Z1587257377 [0,0,0,1,0,0|1,0,2]=4 173 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)N Z1198160975 [0,0,0,1,0,0|2,0,1]=4 174 B13R2.2121 COC1=CC2=C(C=C1)NC(C2)C Z1255421552 [0,0,0,1,0,0|2,0,0]=3 175 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)N Z1255435333 [0,0,0,1,0,0|2,0,1]=4 176 B13R2.2121 COC1=NC=C2CC(=O)NC2=C1 Z1198180903 [0,0,0,1,0,0|2,0,1]=4 177 B13R2.2121 N#CC1=CC2=C(C=C1)CC(C2)N Z1255451461 [0,0,0,1,0,0|2,0,0]=3 178 B11R1.3 CC(C)C1=CC=C(C=C1)C#N Z56964596 [0,0,0,0,1,0|3,0,0]=4 179 B11R1.3 CC(C)C1=CC=C(C=C1)C=O Z104476006 [0,0,0,0,1,0|3,0,0]=4 180 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [0,0,0,0,1,0|3,0,0]=4 182 B11R1.3 CC(N)C1=CC=C(C=C1)C#N Z381061562 [0,0,0,0,1,0|2,0,0]=3 183 B11R1.3 CC(N)C1=CC=C(C=C1)CN Z2063791526 [0,0,0,0,1,0|2,0,0]=3 184 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.3 CCC1=CC=C(C=C1)C(=N)N Z1268152427 [0,0,0,0,1,0|2,0,1]=4 186 B11R1.3 CCC1=CC=C(C=C1)C(=S)N Z57989304 [0,0,0,0,1,0|2,0,1]=4 187 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [0,0,0,0,1,0|1,0,0]=2 188 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [0,0,0,0,1,0|1,0,0]=2 189 B11R1.3 CNC1=CC=C(C=C1)C(=N)N Z1815149179 [0,0,0,0,1,0|2,0,1]=4 190 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [0,0,0,0,1,0|2,0,1]=4 191 B11R1.3 CNC1=CC=C(C=C1)C(=O)N Z744754554 [0,0,0,0,1,0|2,0,1]=4 192 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [0,0,0,0,1,0|2,0,0]=3 193 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [0,0,0,0,1,0|3,0,0]=4 194 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [0,0,0,0,1,0|1,0,1]=3 195 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [0,0,0,0,1,0|1,0,1]=3 196 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [0,0,0,0,1,0|1,0,1]=3 197 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [0,0,0,0,1,0|2,0,1]=4 198 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [0,0,0,0,1,0|1,0,1]=3 199 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [0,0,0,0,1,0|1,0,0]=2 200 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [0,0,0,0,1,0|2,0,0]=3 201 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [0,0,0,0,1,0|1,0,0]=2 202 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [0,0,0,0,1,0|1,0,0]=2 203 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] Z31131411 [0,0,0,0,1,0|3,0,0]=4 204 B11R1.3 COC1=CN=C(C=C1)C(=N)N Z1255420591 [0,0,0,0,1,0|2,0,1]=4 205 B11R1.3 COC1=NC=C(C=C1)C(=N)N Z594272030 [0,0,0,0,1,0|2,0,1]=4 206 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [0,0,0,0,1,0|1,0,0]=2 207 B11R1.3 CSC1=CC=C(C=C1)C(=N)N Z1267881768 [0,0,0,0,1,0|1,1,1]=4 208 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [0,0,0,0,1,0|1,1,1]=4 209 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [0,0,0,0,1,0|0,1,0]=2 210 B13R1.3 CC(C)CNC1=CC=C(C=C1)C#N Z168802628 [0,0,0,0,0,1|3,0,0]=4 211 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O Z53833129 [0,0,0,0,0,1|3,0,0]=4 212 B13R1.3 CC(C)COC1=CC=C(C=C1)CN Z57102877 [0,0,0,0,0,1|3,0,0]=4 213 B13R1.3 CC(C)COC1=CC=C(C=C1)CO Z54649982 [0,0,0,0,0,1|3,0,0]=4 214 B13R1.3 CC(C)CSC1=CC=C(C=C1)C=O Z336080426 [0,0,0,0,0,1|3,0,0]=4 215 B13R1.3 CC(C)CSC1=CC=C(C=C1)CO Z1157828032 [0,0,0,0,0,1|3,0,0]=4 216 B13R1.3 CC(C)NCC1=CC=C(C=C1)C#N Z1262398475 [0,0,0,0,0,1|3,0,0]=4 217 B13R1.3 CC(C)OCC1=CC=C(C=C1)CN Z285179136 [0,0,0,0,0,1|3,0,0]=4 218 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [0,0,0,0,0,1|2,0,1]=4 219 B13R1.3 CCC1=CC=C(C=C1)NCC(C)C Z334947802 [0,0,0,0,0,1|2,0,0]=3 220 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [0,0,0,0,0,1|1,0,1]=3 221 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [0,0,0,0,0,1|2,0,1]=4 222 B13R1.3 COC1=CC=C(C=C1)CCC(C)N Z278080480 [0,0,0,0,0,1|0,0,0]=1 223 B13R1.3 COC1=CC=C(C=C1)CCN(C)C Z168912118 [0,0,0,0,0,1|2,0,0]=3 224 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [0,0,0,0,0,1|1,0,1]=3 225 B13R1.3 COC1=CC=C(C=C1)NCC(C)C Z2327691573 [0,0,0,0,0,1|1,0,0]=2 226 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,0,0,0,0,1|2,0,1]=4 227 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N Z295395794 [0,0,0,0,0,1|1,0,1]=3 228 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [0,0,0,0,0,1|1,0,1]=3 229 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [0,0,0,0,0,1|2,0,1]=4 230 B13R1.3 CSC1=CC=C(C=C1)OCC(=N)N Z1436472894 [0,0,0,0,0,1|1,1,1]=4 231 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [2,0,0,0,0,0|0,0,2]=4 232 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [2,0,0,0,0,0|1,0,1]=4 233 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [2,0,0,0,0,0|0,0,0]=2 234 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [2,0,0,0,0,0|1,0,0]=3 244 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [2,0,0,0,0,0|1,1,0]=4 246 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [2,0,0,0,0,0|0,0,2]=4 256 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [2,0,0,0,0,0|1,0,0]=3 258 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [2,0,0,0,0,0|1,0,0]=3 259 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [2,0,0,0,0,0|1,0,0]=3 260 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [2,0,0,0,0,0|1,0,0]=3 261 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [2,0,0,0,0,0|0,0,0]=2 262 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|1,0,0]=3 270 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,0]=3 276 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,1]=4 280 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.3 C#CC1=CC=C(C=C1)CC Z1080385542 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.3 CCC1=CC=C(C=C1)C#N Z57900361 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [2,0,0,0,0,0|1,0,0]=3 286 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [2,0,0,0,0,0|1,0,0]=3 287 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [2,0,0,0,0,0|1,1,0]=4 288 B10R1.3 CNC1=CN=C(C=C1)OC Z335249570 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.3 CNC1=NC=C(C=C1)OC Z1255359415 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [2,0,0,0,0,0|0,0,2]=4 291 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [2,0,0,0,0,0|1,0,0]=3 295 B10R1.3 COC1=CN=C(N=C1)CN Z4084793393 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.3 CSC1=CC=C(C=C1)CCl Z56347089 [2,0,0,0,0,0|1,1,0]=4 298 B10R1.3 CSC1=CC=C(C=C1)CN Z54751956 [2,0,0,0,0,0|0,1,0]=3 299 B10R1.3 NCC1=CC=C(C=C1)C=O Z2418414207 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.3 NCC1=CC=C(C=C1)CO Z385458374 [2,0,0,0,0,0|2,0,0]=4 301 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [1,1,0,0,0,0|0,0,0]=2 304 B12R1.19 CC(O)CC1=CC(=C(C=C1)Br)F Z1295686053 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [1,1,0,0,0,0|0,0,0]=2 306 B12R1.19 CC1=C(C=C(C=C1)CN(C)C)N Z335289232 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.19 CN(C)CC1=CC(=C(C=C1)O)Cl Z1945695050 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.20 CC(N)C(=O)C1=CC=C(C=C1)Cl Z3023980683 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Cl Z56921784 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [1,1,0,0,0,0|1,0,1]=4 325 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [1,1,0,0,0,0|0,0,0]=2 326 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.49 CC1=CC=C(C=C1)SC(C)C#N Z45224430 [1,1,0,0,0,0|1,0,1]=4 328 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|0,0,0]=2 332 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,1,0,0,0,0|0,0,0]=2 335 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|1,0,1]=4 337 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,1,0,0,0,0|0,0,0]=2 344 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,1,0,0,0,0|0,0,0]=2 345 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.106 CC(C)(C)CC1=CC=C(C=C1)Br Z1681356955 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Br Z1263529603 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [1,1,0,0,0,0|0,0,0]=2 350 B12R1.106 OC1=CC=C(C=C1)CC(F)(F)F Z1198278054 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.233 CC(N)CC1=C(C=C(C=C1)Br)F Z405046456 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.233 CC(N)CC1=C(C=C(C=C1)Cl)Cl Z285143988 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.233 CC(N)CC1=C(C=C(C=C1)F)F Z5002837134 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.233 CC1=CC(=C(C=C1)CC(C)N)C Z285143886 [1,1,0,0,0,0|0,0,0]=2 356 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.5 C=C(CO)C1=CC=C(C=C1)OC Z1896425058 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC Z285137084 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [1,1,0,0,0,0|0,0,0]=2 361 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [1,1,0,0,0,0|0,0,0]=2 362 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [1,1,0,0,0,0|1,0,1]=4 365 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [1,1,0,0,0,0|1,0,1]=4 366 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [1,1,0,0,0,0|1,0,1]=4 367 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [1,1,0,0,0,0|1,0,1]=4 370 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.71 C#CCNC1=CC=C(C=C1)OC Z266490072 [1,1,0,0,0,0|0,0,2]=4 372 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.71 CCCOC1=CC=C(C=C1)C#N Z53834534 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.71 CCCOC1=CC=C(C=C1)C=O Z53833128 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.71 CCNCC1=CC=C(C=C1)C#N Z123866350 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [1,1,0,0,0,0|0,0,0]=2 382 B12R1.71 CCOCC1=CC=C(C=C1)C#N Z295205422 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [1,1,0,0,0,0|0,0,1]=3 384 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [1,1,0,0,0,0|0,0,0]=2 385 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [1,1,0,0,0,0|0,0,0]=2 386 B12R1.71 COC1=CC=C(C=C1)CN=C=S Z104482850 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.71 COC1=CC=C(C=C1)NCC#N Z266491018 [1,1,0,0,0,0|0,0,2]=4 388 B12R1.71 COC1=CC=C(C=C1)OCC#N Z53792243 [1,1,0,0,0,0|0,0,2]=4 389 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [1,1,0,0,0,0|0,0,0]=2 391 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [1,1,0,0,0,0|1,0,1]=4 392 B12R1.71 COC1=NC=C(C=C1)NCCO Z335249622 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.71 N#CC1=CC=C(C=C1)OCCN Z1262398529 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.113 CCCC1=CC=C(C=C1)B(O)O Z336079950 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O Z285150282 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.113 CCCC1=CC=C(C=C1)[C@@H](C)O Z360056068 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.113 CCOC1=CC=C(C=C1)C(C)N Z203884180 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O Z360055638 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.113 CCOC1=CC=C(C=C1)[C@H](C)O Z360055632 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.113 CCSC1=CC=C(C=C1)C(=O)C Z332382324 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.113 CCSC1=CC=C(C=C1)C(C)N Z332384546 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.113 CN(C)C1=CC=C(C=C1)CCN Z285143748 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.113 CNCC1=CC=C(C=C1)C(C)C Z56951193 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.113 CNCC1=CC=C(C=C1)N(C)C Z57327129 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.113 CNCC1=CC=C(C=C1)S(=O)C Z1262607272 [1,1,0,0,0,0|1,1,0]=4 408 B12R1.113 NCCC1=CC=C(C=C1)B(O)O Z3244520031 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.113 NCCC1=CC=C(C=C1)C(=O)O Z104341512 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.113 NCCC1=CC=C(C=C1)C(F)F Z4652528870 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.114 CCOC1=C(C=C(C=C1)OC)N Z239604774 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.114 COC1=CC(=C(C=C1)CC=O)C Z1198313230 [1,1,0,0,0,0|1,0,1]=4 413 B12R1.114 COC1=CC(=C(C=C1)CCN)Cl Z1198183309 [1,1,0,0,0,0|0,0,0]=2 414 B12R1.116 CNCC1=CC=C(C=C1)CNC Z5600604489 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.116 NCCC1=CC=C(C=C1)CCN Z3025680672 [1,1,0,0,0,0|1,0,0]=3 416 B12R1.288 CC1=C(C=CC(=C1)CCN)C#N Z3571126634 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.288 CCCC1=CC(=C(C=C1)OC)O Z87001810 [1,1,0,0,0,0|0,0,0]=2 418 B12R1.288 CNCC1=CC(=C(C=C1)OC)Br Z3243654223 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.288 CNCC1=CC(=C(C=C1)OC)C Z1101435075 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.288 CNCC1=CC(=C(C=C1)OC)Cl Z839166898 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.288 CNCC1=CC(=C(C=C1)OC)F Z85956704 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.288 CNCC1=CC(=C(C=C1)OC)O Z57842333 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.288 COC1=C(C=C(C=C1)CC#N)F Z96091881 [1,1,0,0,0,0|0,0,2]=4 424 B12R1.288 COC1=C(C=C(C=C1)CCN)Br Z5122698103 [1,1,0,0,0,0|0,0,0]=2 425 B12R1.288 COC1=C(C=C(C=C1)CCN)Cl Z3295464152 [1,1,0,0,0,0|0,0,0]=2 426 B12R1.288 COC1=C(C=C(C=C1)CCN)F Z382820754 [1,1,0,0,0,0|0,0,0]=2 427 B12R1.288 COC1=C(C=C(C=C1)CCO)O Z1198339386 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.6 CC(C)(N)C1=CC=C(C=C1)C#N Z4657441325 [0,1,0,0,1,0|2,0,0]=4 429 B12R1.6 CCC1=CC=C(C=C1)C(C)(C)N Z905155800 [0,1,0,0,1,0|1,0,0]=3 430 B12R1.6 CNC1=CC=C(C=C1)C(C)(C)C Z335259092 [0,1,0,0,1,0|2,0,0]=4 431 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O Z449374328 [0,1,0,0,1,0|1,0,0]=3 432 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C Z196125820 [0,1,0,0,1,0|2,0,0]=4 433 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N Z45415561 [0,1,0,0,1,0|2,0,0]=4 434 B12R1.48 CC1=C(C=CC(=C1)C(C)N)C#N Z4876961979 [0,1,0,0,1,0|2,0,0]=4 435 B12R1.48 COC1=C(C=C(C=C1)C(=N)N)Cl Z2452277009 [0,1,0,0,1,0|1,0,1]=4 436 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [0,1,0,0,1,0|1,0,1]=4 437 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [0,1,0,0,1,0|1,0,1]=4 438 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [0,1,0,0,1,0|1,0,1]=4 439 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [0,1,0,0,1,0|1,0,1]=4 440 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [0,1,0,0,1,0|1,0,1]=4 441 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [0,1,0,0,1,0|1,0,1]=4 442 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [0,1,0,0,1,0|1,0,1]=4 443 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [0,1,0,0,1,0|1,0,1]=4 444 B12R1.48 COC1=C(C=C(C=C1)C(C)C)O Z1255440315 [0,1,0,0,1,0|1,0,0]=3 445 B12R1.48 COC1=C(C=C(C=C1)C(C)O)Cl Z756121270 [0,1,0,0,1,0|1,0,0]=3 446 B12R1.48 COC1=C(C=C(C=C1)C(C)O)F Z220335558 [0,1,0,0,1,0|1,0,0]=3 447 B12R1.48 COC1=C(C=C(C=C1)[C@@H](C)O)Br Z360056130 [0,1,0,0,1,0|1,0,0]=3 448 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,1,0,0,1,0|2,0,0]=4 449 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)N Z56347268 [0,1,0,0,1,0|1,0,0]=3 450 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)O Z335245028 [0,1,0,0,1,0|2,0,0]=4 451 B12R1.256 CC(C)C1=CC=C(C=C1)[C@@H](C)N Z1688198407 [0,1,0,0,1,0|1,0,0]=3 452 B12R1.256 CC(O)C1=CC=C(C=C1)N(C)C Z228586338 [0,1,0,0,1,0|2,0,0]=4 453 B12R1.452 CC(N)C1=C(C=C(C=C1)C#N)F Z1688198406 [0,1,0,0,1,0|2,0,0]=4 454 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [0,1,0,0,1,0|1,0,1]=4 455 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [0,1,0,0,1,0|1,0,1]=4 456 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,1,0,0,1,0|1,0,1]=4 457 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [0,1,0,0,1,0|1,0,1]=4 458 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O Z57032591 [0,1,0,0,1,0|1,0,1]=4 459 B12R1.452 COC1=CC(=C(C=C1)[C@H](C)O)Br Z1541833075 [0,1,0,0,1,0|1,0,0]=3 460 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C Z359504404 [0,1,0,0,0,1|1,0,1]=4 461 B14R1.3 COC1=CC=C(C=C1)CC(=O)N(C)C Z32014544 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.3 COC1=CC=C(C=C1)CC(N)C(C)C Z4521773945 [0,1,0,0,0,1|1,0,0]=3 463 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=N)N Z1675167232 [0,1,0,0,0,1|1,0,1]=4 464 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=O)C Z30050798 [0,1,0,0,0,1|1,0,1]=4 465 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(C)C Z28138916 [0,1,0,0,0,1|1,0,1]=4 466 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(C)Cl Z147652086 [0,1,0,0,0,1|1,0,1]=4 467 B14R1.3 COC1=CC=C(C=C1)NC(=S)N(C)N Z56844991 [0,1,0,0,0,1|1,0,1]=4 468 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)N Z51311772 [0,1,0,0,0,1|1,0,1]=4 469 B14R1.5 CCC1=CC=C(C=C1)OCC(O)CN Z271072276 [0,1,0,0,0,1|2,0,0]=4 470 B14R1.5 CNC(=O)CSC1=CC=C(C=C1)OC Z51311503 [0,1,0,0,0,1|1,0,1]=4 471 B14R1.5 COC1=CC=C(C=C1)CC/C(=N/O)/C Z49568020 [0,1,0,0,0,1|0,0,2]=4 472 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NO Z59183016 [0,1,0,0,0,1|1,0,1]=4 473 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl Z56896262 [0,1,0,0,0,1|1,0,1]=4 474 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CN Z1259341036 [0,1,0,0,0,1|1,0,1]=4 475 B14R1.5 COC1=CC=C(C=C1)CNC(=S)NN Z56886497 [0,1,0,0,0,1|1,0,1]=4 476 B14R1.5 COC1=CC=C(C=C1)NCC(=O)NN Z56862354 [0,1,0,0,0,1|1,0,1]=4 477 B14R1.5 COC1=CC=C(C=C1)OCC(=O)NN Z56869436 [0,1,0,0,0,1|1,0,1]=4 478 B14R1.5 COC1=CC=C(C=C1)OCC(O)CN Z56919203 [0,1,0,0,0,1|1,0,0]=3 479 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)C)C Z1259123434 [0,1,0,0,0,1|1,0,1]=4 480 B14R1.103 COC1=CC(=C(C=C1)CN=C(N)N)O Z2518843806 [0,1,0,0,0,1|1,0,1]=4 481 B14R1.142 CC(C)COC1=CC=C(C=C1)CCN Z239604692 [0,1,0,0,0,1|2,0,0]=4 482 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)N Z809768664 [0,1,0,0,0,1|1,0,1]=4 483 B14R1.142 CCOC1=CC=C(C=C1)CNC(C)C Z1076467054 [0,1,0,0,0,1|1,0,0]=3 484 B14R1.142 CCOC1=CC=C(C=C1)OCC(=N)N Z1436472930 [0,1,0,0,0,1|1,0,1]=4 485 B14R1.211 COC1=CC=C(C=C1)CCS(=O)(=O)C Z416917746 [0,1,0,0,0,1|2,0,0]=4 486 B14R1.211 COC1=CC=C(C=C1)CCS(=O)(=O)N Z1263555125 [0,1,0,0,0,1|2,0,0]=4 487 B14R1.211 COC1=CC=C(C=C1)CNS(=O)(=O)C Z53825506 [0,1,0,0,0,1|2,0,0]=4 488 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(C)C Z53832964 [0,1,0,0,0,1|2,0,0]=4 489 B14R1.419 CC(C)COC1=CC=C(C=C1)C(C)N Z278080294 [0,1,0,0,0,1|2,0,0]=4 490 B14R1.419 CC(C)COC1=CC=C(C=C1)[C@@H](C)O Z360055942 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.419 CC(C)COC1=CC=C(C=C1)[C@H](C)O Z360055938 [0,1,0,0,0,1|2,0,0]=4 492 B14R1.419 CC(C)NCC1=CC=C(C=C1)N(C)C Z86129854 [0,1,0,0,0,1|2,0,0]=4 493 B14R1.419 CC(N)COC1=CC=C(C=C1)C(=O)O Z4321086593 [0,1,0,0,0,1|2,0,0]=4 494 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [0,1,0,0,0,1|1,0,1]=4 495 B14R1.212 COC1=CC=C(C=C1)C(=O)C(C)(C)C Z385418280 [0,2,0,0,0,0|1,0,1]=4 496 B14R1.215 CNS(=O)(=O)CC1=CC=C(C=C1)OC Z1681349619 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.215 COC1=CC=C(C=C1)CC(C)(N)CN Z1117893504 [0,2,0,0,0,0|0,0,0]=2 498 B14R1.215 COC1=CC=C(C=C1)CC(C)(N)CO Z1117894823 [0,2,0,0,0,0|0,0,0]=2 499 B14R1.3275 COC1=C(C=C(C=C1)CS(=O)(=O)C)N Z2065464293 [0,2,0,0,0,0|2,0,0]=4 500 B14R1.7 COC(=O)C(C)C1=CC=C(C=C1)OC Z982130326 [0,2,0,0,0,0|1,0,1]=4 501 B14R1.7 COC(=O)C(N)C1=CC=C(C=C1)OC Z2235409236 [0,2,0,0,0,0|1,0,1]=4 502 B14R1.24 CCCC1=CC=C(C=C1)CC(C)C=O Z1238838024 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.24 CCOC1=CC=C(C=C1)CC(=O)NC Z32016780 [0,2,0,0,0,0|1,0,1]=4 504 B14R1.954 C#CCN(C)CC1=CC=C(C=C1)OC Z103783702 [0,2,0,0,0,0|2,0,0]=4 505 B14R1.954 CNCC(C)CC1=CC=C(C=C1)OC Z992332056 [0,2,0,0,0,0|0,0,0]=2 506 B14R1.954 COC1=CC=C(C=C1)C/C(=C/C#N)/C Z1117894855 [0,2,0,0,0,0|0,0,2]=4 507 B14R1.954 COC1=CC=C(C=C1)CN(C)CCN Z3246280295 [0,2,0,0,0,0|1,0,0]=3 508 B14R1.954 CONC(=O)CC1=CC=C(C=C1)OC Z245507048 [0,2,0,0,0,0|1,0,1]=4 509 B14R1.3276 CNC(=O)CC1=CC(=C(C=C1)OC)F Z100643770 [0,2,0,0,0,0|1,0,1]=4 510 B14R1.3276 COC1=C(C=C(C=C1)CC(C)C=O)F Z1238838025 [0,2,0,0,0,0|1,0,0]=3 511 B14R1.3276 COC1=C(C=C(C=C1)CC(C)CO)F Z1238840553 [0,2,0,0,0,0|1,0,0]=3 512 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,2,0,0,0,0|1,0,1]=4 513 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC Z235363001 [0,2,0,0,0,0|1,0,1]=4 514 B14R1.3651 COC1=C(C=C(C=C1)NC(C)C)OC Z266654414 [0,2,0,0,0,0|2,0,0]=4 515 B14R1.8 COC1=CC=C(C=C1)C(CN)C(F)F Z3352754032 [0,2,0,0,0,0|2,0,0]=4 516 B14R1.102 COC1=CC(=C(C=C1)C(=O)C(C)C)Br Z454080308 [0,2,0,0,0,0|1,0,1]=4 517 B14R1.141 CCCC1=CC=C(C=C1)C(N)C(C)C Z94602270 [0,2,0,0,0,0|2,0,0]=4 518 B14R1.141 CCOC1=CC=C(C=C1)C(=O)C(C)Cl Z56347143 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.6402 CC(C)C1=CC=C(C=C1)C(N)C(C)C Z90121787 [0,2,0,0,0,0|2,0,0]=4 520 B14R1.68 CC(C)CC1=CC=C(C=C1)CCCO Z1198182739 [0,2,0,0,0,0|2,0,0]=4 521 B14R1.68 CCCOC1=CC=C(C=C1)CC(=N)N Z1695709650 [0,2,0,0,0,0|1,0,1]=4 522 B14R1.717 CC(C)CC1=CC=C(C=C1)C(C)C=O Z3227040728 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(C)N Z4954271721 [0,2,0,0,0,0|0,0,0]=2 524 B14R1.124 CC1=C(C=CC(=C1)N(C)C)CC(C)N Z1157735268 [0,2,0,0,0,0|1,0,0]=3 525 B14R1.124 CC1=C(C=CC(=C1)N(C)C)C[C@H](C)N Z3018656861 [0,2,0,0,0,0|1,0,0]=3 526 B14R1.806 CC(N)CC1=CC=C(C=C1)C(F)(F)F Z1245633272 [0,2,0,0,0,0|2,0,0]=4 527 B14R1.101 COC1=CC(=C(C=C1)CC(=O)N)OC Z62734485 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.453 COC1=CC(=C(C=C1)O)C(C)N Z239627178 [0,0,1,1,0,0|1,0,1]=4 529 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [1,0,0,1,0,0|0,0,0]=2 530 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [1,0,0,1,0,0|2,0,0]=4 531 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [1,0,0,1,0,0|2,0,0]=4 532 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [1,0,0,1,0,0|1,0,0]=3 533 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [1,0,0,1,0,0|1,0,0]=3 534 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [1,0,0,1,0,0|1,0,0]=3 535 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [1,0,0,1,0,0|2,0,0]=4 536 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [1,0,0,1,0,0|2,0,0]=4 537 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [1,0,0,1,0,0|2,0,0]=4 538 B12R2.606 CC1CC2=C(O1)C=CC(=C2)O Z1513815985 [1,0,0,1,0,0|2,0,0]=4 539 B12R2.606 NC1=CC2=C(C=C1)CC(C2)O Z1203581059 [1,0,0,1,0,0|2,0,0]=4 540 B12R2.606 NC1CC2=C(C1)C=C(C=C2)Br Z1741978324 [1,0,0,1,0,0|1,0,0]=3 541 B12R2.606 NC1CC2=C(C1)N=CC(=C2)Br Z3466011318 [1,0,0,1,0,0|2,0,0]=4 542 B12R2.606 OC1=CC2=C(C=C1)CC(C2)O Z1198729229 [1,0,0,1,0,0|1,0,0]=3 543 B12R2.606 OC1CC2=C(C1)C=C(C=C2)Cl Z1489210921 [1,0,0,1,0,0|2,0,0]=4 544 B12R2.606 OC1CC2=C(C1)C=C(C=C2)F Z1862026143 [1,0,0,1,0,0|2,0,0]=4 545 B12R2.9 CCC1=CC=C(C=C1)C2CO2 Z285186478 [1,0,0,1,0,0|2,0,0]=4 546 B12R2.9 COC1=CC=C(C=C1)C2CO2 Z278165224 [1,0,0,1,0,0|1,0,0]=3 547 B12R2.9 NCC1=CC=C(C=C1)C2CC2 Z992239712 [1,0,0,1,0,0|2,0,0]=4 548 B12R2.9 O=CC1=CC=C(C=C1)C2CC2 Z992239772 [1,0,0,1,0,0|2,0,0]=4 549 B12R2.44 CCC1=CC2=C(C=C1)NCC2 Z1270207865 [1,0,0,1,0,0|2,0,0]=4 550 B12R2.44 COC1=CC2=C(C=C1)NCC2 Z235539064 [1,0,0,1,0,0|1,0,0]=3 551 B12R2.44 COC1=NC2=C(C=C1)CCN2 Z1255390060 [1,0,0,1,0,0|1,0,0]=3 552 B12R2.44 N#CC1=CC2=C(C=C1)CCC2 Z1079178836 [1,0,0,1,0,0|2,0,0]=4 553 B12R2.44 N#CC1=CC2=C(C=C1)CCN2 Z1198179940 [1,0,0,1,0,0|2,0,0]=4 554 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Z425449738 [1,0,0,1,0,0|2,0,0]=4 555 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 Z385369954 [1,0,0,1,0,0|2,0,0]=4 556 B12R2.44 OCC1=CC2=C(C=C1)CCC2 Z385370372 [1,0,0,1,0,0|2,0,0]=4 557 B14R2.27 COC1=CC=C(C=C1)[C@H]2C[C@H](C2)N Z3377758868 [0,0,0,1,0,1|0,0,0]=2 558 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 Z1255485170 [0,0,0,1,0,1|1,0,1]=4 559 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 Z1255498178 [0,0,0,1,0,1|1,0,1]=4 560 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 Z1198176733 [0,0,0,1,0,1|1,0,1]=4 561 B14R2.328 CCC1=CC=C(C=C1)CNC2CC2 Z86138916 [0,0,0,1,0,1|2,0,0]=4 562 B14R2.328 CCC1=CC=C(C=C1)OCC2CO2 Z147642802 [0,0,0,1,0,1|2,0,0]=4 563 B14R2.328 COC1=CC=C(C=C1)CNC2CC2 Z86138857 [0,0,0,1,0,1|1,0,0]=3 564 B14R2.328 COC1=CC=C(C=C1)OCC2CO2 Z147642770 [0,0,0,1,0,1|1,0,0]=3 565 B14R2.328 COC1=CC=C(C=C1)OC[C@H]2CO2 Z1255489726 [0,0,0,1,0,1|1,0,0]=3 566 B14R2.328 CSC1=CC=C(C=C1)OCC2CO2 Z1143285272 [0,0,0,1,0,1|1,1,0]=4 567 B14R2.331 COC1=CC=C(C=C1)CC2CCN2 Z1413805528 [0,1,0,1,0,0|0,0,0]=2 568 B14R2.331 COC1=CC=C(C=C1)CC2CNC2 Z490826686 [0,1,0,1,0,0|0,0,0]=2 569 B14R2.2332 COC1=CC2=C(C=C1)CC(CC2)O Z1198164344 [0,1,0,1,0,0|1,0,0]=3 570 B14R2.2332 COC1=CC2=C(C=C1)CC(CO2)N Z1891776858 [0,1,0,1,0,0|0,0,0]=2 571 B14R2.2332 COC1=CC2=C(C=C1)CC(NC2)C Z3070475288 [0,1,0,1,0,0|0,0,0]=2 572 B14R2.2332 COC1=CC2=C(C=C1)OC(CN2)C Z1255388610 [0,1,0,1,0,0|1,0,0]=3 573 B14R2.2332 N#CC1=CC2=C(C=C1)CC(CC2)N Z4500621852 [0,1,0,1,0,0|2,0,0]=4 574 B14R2.1008 C[C@@H](O)CC1=CC2=C(C=C1)OCO2 Z1198314644 [0,1,0,1,0,0|1,0,0]=3 575 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 Z1650168507 [0,1,0,1,0,0|1,0,0]=3 576 B14R2.329 COC1=CC=C(C=C1)C(N)C2CC2 Z169852196 [0,1,0,1,0,0|1,0,0]=3 577 B14R2.1815 COC1=CC2=C(C=C1)C(C(=O)N2)N Z3244908643 [0,1,0,1,0,0|1,0,1]=4 578 B14R2.1815 COC1=CC2=C(C=C1)C(C(=O)N2)O Z808167656 [0,1,0,1,0,0|1,0,1]=4 579 B14R2.1006 CC(C)CC1=CC=C(C=C1)C2CO2 Z278165270 [0,1,0,1,0,0|1,0,0]=3 580 B14R2.345 CC(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2286637167 [0,1,0,1,0,0|1,0,0]=3 581 B14R2.345 CN(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2298098029 [0,1,0,1,0,0|1,0,0]=3 582 B14R2.601 NC1CC2=C(C1)C=C(C=C2)C(=O)O Z1508939334 [0,1,0,1,0,0|2,0,0]=4 583 B14R2.601 NC1CC2=C(C1)C=C(C=C2)[N+](=O)[O-] Z3241251961 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,0,0,0,1,0|1,0,1]=4 585 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,1,0|1,0,1]=4 586 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,0,0,0,1,0|2,0,0]=4 587 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,0,0,0,1,0|2,0,0]=4 588 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,0,0,0,1,0|2,0,0]=4 589 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,1,0|1,0,0]=3 590 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,0,0,0,1,0|1,0,0]=3 591 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,0,0,0,1,0|1,0,0]=3 592 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,1,0|0,0,0]=2 593 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,0,0,0,1,0|1,0,0]=3 594 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,0,0,0,1,0|2,0,0]=4 595 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,0,0,0,1,0|2,0,0]=4 596 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,0,0,0,1,0|2,0,0]=4 597 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,0,0,0,1,0|2,0,0]=4 598 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [1,0,0,0,1,0|1,0,1]=4 599 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [1,0,0,0,1,0|1,0,1]=4 600 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,1,0|1,0,0]=3 601 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,1,0|1,0,0]=3 602 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,1,0|1,0,0]=3 603 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,1,0|2,0,0]=4 604 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,0,0,0,1,0|2,0,0]=4 605 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,0,0,0,1,0|2,0,0]=4 606 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,0,0,0,1,0|1,0,0]=3 607 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,0,0,0,1,0|1,0,0]=3 608 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,1,0|0,0,0]=2 609 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [1,0,0,0,1,0|2,0,0]=4 610 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,0,0,0,1,0|2,0,0]=4 611 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,0,0,0,1,0|2,0,0]=4 612 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,1,0|1,0,1]=4 613 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,1,0|1,0,1]=4 614 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,1,0|1,0,1]=4 615 B10R1.54 CC1=CC=C(S1)CC(C)N Z381678020 [1,0,0,0,1,0|1,0,0]=3 616 B10R1.54 CC1=NNC(=C1)CC(C)N Z1446874472 [1,0,0,0,1,0|2,0,0]=4 617 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,0,0,0,0,1|1,0,1]=4 618 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [1,0,0,0,0,1|2,0,0]=4 619 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [1,0,0,0,0,1|2,0,0]=4 620 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [1,0,0,0,0,1|1,0,0]=3 621 B12R1.21 CC(C)NCC1=CC=C(C=C1)Br Z86129856 [1,0,0,0,0,1|2,0,0]=4 622 B12R1.21 CC(C)NCC1=CC=C(C=C1)F Z86129862 [1,0,0,0,0,1|2,0,0]=4 623 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [1,0,0,0,0,1|2,0,0]=4 624 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [1,0,0,0,0,1|2,0,0]=4 625 B12R1.21 CC(C)SCC1=CC=C(C=C1)Br Z54548572 [1,0,0,0,0,1|2,0,0]=4 626 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [1,0,0,0,0,1|1,0,0]=3 627 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [1,0,0,0,0,1|1,0,0]=3 628 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [1,0,0,0,0,1|0,0,0]=2 629 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [1,0,0,0,0,1|1,0,0]=3 630 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [1,0,0,0,0,1|1,0,0]=3 631 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [1,0,0,0,0,1|1,0,1]=4 632 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [1,0,0,0,0,1|1,0,1]=4 633 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [1,0,0,0,0,1|1,0,1]=4 634 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [1,0,0,0,0,1|1,0,1]=4 635 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [1,0,0,0,0,1|1,0,0]=3 636 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [1,0,0,0,0,1|1,0,1]=4 637 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [1,0,0,0,0,1|1,0,1]=4 638 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [1,0,0,0,0,1|0,0,0]=2 639 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [1,0,0,0,0,1|1,0,1]=4 640 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [1,0,0,0,0,1|0,0,0]=2 641 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [1,0,0,0,0,1|1,0,1]=4 642 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [0,0,0,0,1,1|1,0,1]=4 643 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [0,0,0,0,1,1|1,0,1]=4 644 B14R1.4 CCC1=CC=C(C=C1)CNCC(C)C Z2412196609 [0,0,0,0,0,2|2,0,0]=4 645 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)N Z952139986 [0,0,0,0,0,2|1,0,1]=4 646 B14R1.4 COC1=CC=C(C=C1)CCNC(=N)N Z1089995164 [0,0,0,0,0,2|1,0,1]=4 647 B14R1.4 COC1=CC=C(C=C1)CNCC(C)O Z5774179697 [0,0,0,0,0,2|1,0,0]=3 648 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)N Z68591083 [0,0,0,0,0,2|1,0,1]=4 649 B14R1.4 COC1=CC=C(C=C1)SCCN(C)C Z149353776 [0,0,0,0,0,2|2,0,0]=4