0 B11R1.3 C#CC1=CC=C(C=C1)C(=O)N Z1203579154 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C=CC1=CC=C(C=C1)C(=O)N Z1203578780 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N Z56820417 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CC(=O)C1=CC=C(C=C1)CN Z3018118044 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 CC(N)C1=CC=C(C=C1)C#N Z381061562 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.3 CC(N)C1=CC=C(C=C1)CN Z2063791526 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CCC1=CC=C(C=C1)B(O)O Z336079952 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.3 CCC1=CC=C(C=C1)C(=N)N Z1268152427 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.3 CCC1=CC=C(C=C1)C(=O)O Z104478474 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CCC1=CC=C(C=C1)C(=S)N Z57989304 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.3 CCC1=CN=C(C=C1)C(=O)O Z3693286572 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 CCC1=NC=C(C=C1)C(=O)O Z5589439234 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 CN(C)C1=CC=C(C=C1)CN Z90122421 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 CN(C)C1=CC=C(C=C1)CO Z228585234 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 CNC1=CC=C(C=C1)C(=N)N Z1815149179 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.3 CNC1=CC=C(C=C1)C(=O)N Z744754554 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 CNC1=CC=C(C=C1)C(=O)O Z727574068 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.3 CNC1=NC=C(C=C1)C(=O)N Z960186538 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.3 COC1=CN=C(C=C1)C(=N)N Z1255420591 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.3 COC1=NC=C(C=C1)C(=N)N Z594272030 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 COC1=NC=C(N=C1)C(=N)N Z3778988390 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 CS(=O)C1=CC=C(C=C1)CN Z1269182102 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.3 CSC1=CC=C(C=C1)C(=N)N Z1267881768 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 CSC1=CC=C(C=C1)C(=O)O Z57989066 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.3 N#CC1=CC=C(C=C1)C(=O)N Z33546655 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.3 N#CC1=CC=C(C=C1)C(=O)O Z104476114 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.3 N#CC1=CN=C(C=C1)C(=O)N Z1147474196 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O Z316909626 [0,0,0,0,0,0|1,0,2]=3 40 B11R1.3 NC(=O)C1=CC=C(C=C1)CCl Z154669306 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.3 NCC1=CC=C(C=C1)B(O)O Z1741960674 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.3 NCC1=CC=C(C=C1)C(=O)N Z57036329 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.3 NCC1=CC=C(C=C1)[N+](=O)[O-] Z1259155974 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.3 NCC1=CN=C(C=C1)C(=O)O Z2887729927 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.3 NCC1=NC=C(C=C1)C(=O)O Z2901372939 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.3 NNC1=CC=C(C=C1)C(=O)O Z56957167 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.3 O=C(O)C1=CC=C(C=C1)CBr Z55993105 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.3 O=C(O)C1=CC=C(C=C1)CCl Z111868896 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.3 O=C(O)C1=CC=C(C=C1)CS Z57989315 [0,0,0,0,0,0|2,1,0]=3 52 B11R1.3 O=C(O)C1=NC=C(C=C1)CO Z3015401233 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O Z104475878 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CBr Z56757346 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CCl Z56938009 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.3 OB(O)C1=CC=C(C=C1)CBr Z1269236418 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.3 OCC1=CC=C(C=C1)B(O)O Z1203162320 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.3 C#CC1=CC=C(C=C1)C=O Z1203159515 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 C#CC1=CC=C(C=C1)CC Z1080385542 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 C#CC1=CC=C(C=C1)CO Z1255489573 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.3 C=CC1=CC=C(C=C1)C=O Z1198150327 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.3 CCC1=CC=C(C=C1)C#N Z57900361 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.3 CCC1=CN=C(C=C1)C=O Z1198235245 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.3 CCC1=NC=C(C=C1)C=O Z1255494858 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [1,0,0,0,0,0|2,1,0]=4 72 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.3 CSC1=CC=C(C=C1)CCl Z56347089 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.3 CSC1=CC=C(C=C1)CN Z54751956 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.3 ClCC1=CC=C(C=C1)CCl Z99600486 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.3 N#CC1=CC=C(C=C1)C=O Z104478052 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.3 N#CC1=CC=C(C=C1)CBr Z56995138 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.3 N#CC1=CC=C(C=C1)CO Z335244916 [1,0,0,0,0,0|0,0,2]=3 80 B10R1.3 N#CC1=CN=C(C=C1)CO Z1198311143 [1,0,0,0,0,0|1,0,2]=4 81 B10R1.3 NCC1=CC=C(C=C1)C=O Z2418414207 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.3 NCC1=CC=C(C=C1)CO Z385458374 [1,0,0,0,0,0|0,0,1]=2 83 B10R1.3 O=CC1=CC=C(C=C1)C=O Z104478582 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.3 O=CC1=CC=C(C=C1)CBr Z1201624503 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.3 O=CC1=CC=C(C=C1)CCl Z1198151895 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.3 O=CC1=CC=C(C=C1)CF Z1255498899 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,0,0|1,0,1]=3 99 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [1,0,0,0,0,0|0,0,0]=1 102 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 CC1=NC=C(C=C1)C(=O)N Z57493539 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.13 N=C(N)C1=CC=C(C=C1)Br Z1263602346 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl Z56771179 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.13 N=C(N)C1=CC=C(C=C1)F Z2289798423 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.13 N=C(N)C1=CC=C(C=C1)I Z2574914411 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,0,0|0,0,0]=1 121 B10R1.13 N=C(N)C1=CN=C(C=C1)Cl Z1696091820 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 N=C(N)C1=NC=C(C=C1)Br Z3234809794 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 N=C(N)C1=NC=C(C=C1)Cl Z3234813314 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.13 N=C(N)C1=NC=C(C=C1)F Z1255388124 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 N=C(N)C1=NC=C(C=C1)N Z2740001122 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,0,0|1,0,0]=2 131 B10R1.13 NC(=O)C1=CN=C(C=C1)Cl Z33546654 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 NC(=O)C1=CN=C(C=C1)F Z1183725924 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 NC(=O)C1=CN=C(C=C1)N Z959893184 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 NC(=O)C1=CNC(=O)C=C1 Z220564282 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.13 NC(=O)C1=NC=C(C=C1)Br Z1065600734 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.13 NC(=O)C1=NC=C(C=C1)I Z1269145218 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.13 NC(=O)C1=NC=C(C=C1)N Z1116403989 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.13 NC(=S)C1=CC=C(C=C1)Br Z56964597 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 NC(=S)C1=CC=C(C=C1)Cl Z57070431 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,0,0|1,0,0]=2 142 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,0,0,0,0,0|2,1,0]=4 149 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC Z285137084 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.5 CCC1=CC=C(C=C1)/C(=N/O)/N Z104442610 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl Z56881220 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN Z56926664 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N Z32016559 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.5 CNC(=O)C1=CC=C(C=C1)C=O Z235353065 [0,1,0,0,0,0|1,0,2]=4 159 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN Z234893745 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC Z51983114 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.5 CNC(=O)C1=NC=C(C=C1)CN Z3071303314 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr Z57358719 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.5 COC(=O)C1=CC=C(C=C1)CN Z56839665 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.5 COC(=O)C1=CN=C(C=C1)CO Z1139751257 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/N Z57169545 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.5 COC1=CC=C(C=C1)C(=O)NO Z59181957 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [0,1,0,0,0,0|0,0,2]=3 171 B12R1.5 NCC1=CC=C(C=C1)C(=O)NO Z2065616423 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.6 CCC1=CC=C(C=C1)C(C)(C)N Z905155800 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)N Z57902253 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.6 NCC1=CC=C(C=C1)S(=O)(=O)N Z1741980223 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.6 NS(=O)(=O)C1=CC=C(C=C1)CO Z1216814349 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.6 O=S(=O)([O-])C1=CC=C(C=C1)CO Z3035709916 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.48 CC1=C(C=NC(=C1)C(=O)O)CO Z3491165711 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.48 COC1=C(C=C(C=C1)C(=N)N)Cl Z2452277009 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)Br Z2901372894 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)F Z4679492911 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)O Z3413989910 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)Cl Z1551918094 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)F Z1080722404 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.48 O=C(O)C1=CC(=C(C=C1)CS)F Z381364016 [0,1,0,0,0,0|2,1,0]=4 191 B12R1.48 OCC1=C(C=C(C=C1)B(O)O)Cl Z1255464742 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O Z285150282 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O Z381340222 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.113 CCOC1=CC=C(C=C1)C(=N)N Z1262327405 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N Z33546681 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O Z56759338 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N Z56953071 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.113 CCOC1=CC=C(C=C1)C(C)N Z203884180 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.113 CCOC1=NC=C(C=C1)C(=O)N Z449377044 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.113 CCSC1=CC=C(C=C1)C(=O)C Z332382324 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O Z228030812 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.113 CCSC1=CC=C(C=C1)C(C)N Z332384546 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.113 CNCC1=CC=C(C=C1)C(=O)N Z316170532 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.113 COCC1=CC=C(C=C1)B(O)O Z823983404 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.113 COCC1=CC=C(C=C1)C(=O)N Z52214428 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.113 COCC1=CC=C(C=C1)C(=O)O Z57981093 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.113 COCC1=NC=C(C=C1)C(=O)O Z1255402225 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O Z51581091 [0,1,0,0,0,0|2,1,0]=4 210 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)N Z219997172 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)O Z274531454 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.113 NCCC1=CC=C(C=C1)C(=O)O Z104341512 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.113 O=C(O)C1=CC=C(C=C1)/C=N/O Z49568495 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO Z1198159608 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O Z1203161683 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O Z335574216 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.256 CC(C)C1=CC=C(C=C1)C(=N)N Z1184858180 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)N Z33546608 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.256 CC(C)C1=CC=C(C=C1)C(=S)N Z55993078 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)N Z56347268 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)O Z335245028 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.256 CC(C)C1=CC=C(C=C1)[C@@H](C)N Z1688198407 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.256 CC(O)C1=CC=C(C=C1)B(O)O Z1255489462 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.256 CC(O)C1=CC=C(C=C1)C(=O)O Z1198155605 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.256 CC(O)C1=CC=C(C=C1)N(C)C Z228586338 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.256 CC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z228586132 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.256 CN(C)C1=CC=C(C=C1)C(=N)N Z2327588276 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N Z33546672 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.256 N=C(N)C1=CC=C(C=C1)C(=O)O Z1741969401 [0,1,0,0,0,0|0,0,1]=2 231 B12R1.256 N=C(N)C1=CC=C(C=C1)[N+](=O)[O-] Z381061448 [0,1,0,0,0,0|1,0,1]=3 232 B12R1.256 NC(=O)C1=CC=C(C=C1)B(O)O Z1171974289 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O Z147646808 [0,1,0,0,0,0|1,0,1]=3 234 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=S)N Z234895461 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.256 NC(=O)C1=CN=C(C=C1)C(=O)O Z425333840 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.256 NC(=O)C1=NC=C(C=C1)C(=O)O Z316122632 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.256 NC(=S)C1=CC=C(C=C1)C(=O)O Z235362627 [0,1,0,0,0,0|1,0,1]=3 238 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O Z285136920 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O Z57127536 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.256 O=C(O)C1=CC=C(C=C1)C(F)F Z995167754 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.452 CC1=C(C=CC(=C1)CO)[N+](=O)[O-] Z1255386715 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)C Z1255422069 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)Cl Z1255359653 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)F Z1255434596 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)N Z1188031184 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)O Z1255367412 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.452 CN(C)C1=C(C=C(C=C1)CO)F Z362022086 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.452 CNC1=CC(=C(C=C1)C(=O)N)Br Z2511811300 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O Z57032591 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.452 O=C(O)C1=C(C=C(C=C1)CO)F Z1255383867 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.452 O=[N+]([O-])C1=C(C=C(C=C1)CO)O Z959305098 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 Z1205494871 [0,0,0,1,0,0|3,0,0]=4 253 B10R1.31 NCC1=CC=C(O1)C(=O)N Z1324054900 [0,0,0,0,1,0|3,0,0]=4 254 B10R1.31 O=C(O)C1=CC=C(O1)CO Z385458092 [0,0,0,0,1,0|3,0,0]=4 255 B10R1.31 O=C(O)C1=CC=C(S1)CO Z1134175383 [0,0,0,0,1,0|3,0,0]=4 256 B10R1.31 O=C(O)C1=COC(=C1)CO Z970074936 [0,0,0,0,1,0|3,0,0]=4 257 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN Z235336571 [0,0,0,0,0,1|3,0,0]=4 258 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,0,0,0,0,1|2,0,0]=3 259 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl Z1255365081 [0,0,0,0,0,1|3,0,0]=4 260 B12R1.4 CC(=O)OC1=CC=C(C=C1)CN Z2216303143 [0,0,0,0,0,1|3,0,0]=4 261 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [0,0,0,0,0,1|2,0,1]=4 262 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [0,0,0,0,0,1|2,0,1]=4 263 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [0,0,0,0,0,1|2,0,1]=4 264 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,0,0,0,0,1|3,0,0]=4 265 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [0,0,0,0,0,1|3,0,0]=4 266 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N Z271134316 [0,0,0,0,0,1|2,0,0]=3 267 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [0,0,0,0,0,1|3,0,0]=4 268 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,0,0,0,0,1|3,0,0]=4 269 B12R1.4 COC1=CC=C(C=C1)NC(=N)N Z118438372 [0,0,0,0,0,1|2,0,0]=3 270 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,0,0,0,0,1|3,0,0]=4 271 B12R1.4 COC1=CC=C(C=C1)NC(=S)N Z56921428 [0,0,0,0,0,1|3,0,0]=4 272 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)N Z982774006 [0,0,0,0,0,1|2,0,1]=4 273 B12R1.4 N#CC1=CC=C(C=C1)NC(=O)N Z220331754 [0,0,0,0,0,1|2,0,1]=4 274 B12R1.4 N#CC1=CC=C(C=C1)NC(=S)N Z291279010 [0,0,0,0,0,1|2,0,1]=4 275 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N Z228589054 [0,0,0,0,0,1|2,0,0]=3 276 B12R1.4 OCC1=CC=C(C=C1)OC(F)F Z335244764 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.1 C=CC1=NC=C(C=C1)C Z1198181628 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.1 CC1=CC=C(C=C1)C#N Z56965882 [2,0,0,0,0,0|0,0,2]=4 279 B9R1.1 CC1=CC=C(C=C1)C=O Z104477698 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.1 CC1=CC=C(C=C1)NN Z56911942 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.1 CC1=CN=C(C=C1)C=O Z1198172069 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [2,0,0,0,0,0|1,0,1]=4 283 B9R1.1 CC1=NC=C(C=C1)C=O Z744849420 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.1 CC1=NC=C(C=C1)CN Z444349734 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [2,0,0,0,0,0|1,0,1]=4 289 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 N#CC1=CC=C(C=C1)N Z57073771 [2,0,0,0,0,0|1,0,1]=4 297 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [2,0,0,0,0,0|0,0,2]=4 298 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.1 NC1=NC=C(C=N1)CO Z1198267212 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 NC1=NC=C(N=C1)CO Z1203583050 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.1 NC1=NN=C(C=C1)CO Z2739402763 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [2,0,0,0,0,0|1,0,1]=4 303 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [2,0,0,0,0,0|0,0,1]=3 304 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.1 NCC1=NC=C(C=C1)N Z3244746175 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [2,0,0,0,0,0|1,0,1]=4 307 B9R1.1 NNC1=CC=C(C=C1)Cl Z56776889 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.1 O=CC1=CC=C(C=C1)Br Z57162109 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.1 O=CC1=CC=C(C=C1)Cl Z57772447 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 O=CC1=CC=C(C=C1)F Z104472914 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.1 O=CC1=CC=C(C=C1)I Z57887684 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.1 O=CC1=CC=C(C=C1)S Z1198150788 [2,0,0,0,0,0|1,1,0]=4 314 B9R1.1 O=CC1=CN=C(C=C1)O Z1741969170 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.1 O=CC1=NC=C(C=C1)O Z1741979912 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [2,0,0,0,0,0|1,0,0]=3 318 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [2,0,0,0,0,0|1,0,0]=3 319 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [2,0,0,0,0,0|1,1,0]=4 324 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [2,0,0,0,0,0|1,0,1]=4 326 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [2,0,0,0,0,0|1,0,1]=4 329 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [2,0,0,0,0,0|0,0,0]=2 330 B9R1.6 N=C(N)C1=CC=NC=C1 Z444349574 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.6 N=C(N)C1=CN=CC=C1 Z444349586 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.6 N=C(N)C1=CN=CN=C1 Z1741981975 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.6 N=C(N)C1=NC=CC=C1 Z540728738 [2,0,0,0,0,0|1,0,0]=3 334 B9R1.6 N=C(N)C1=NC=CC=N1 Z992717154 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.6 N=C(N)C1=NC=CN=C1 Z1741973428 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.6 N=C(N)C1=NC=NC=C1 Z2582142457 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.6 NC(=O)C1=CN=CC=C1 Z33546463 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.6 NC(=O)C1=NC=CC=C1 Z33546380 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.6 NC(=S)C1=CC=NC=C1 Z317055504 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.6 NC(=S)C1=CN=CC=C1 Z56960184 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.6 NC(=S)C1=NC=CC=C1 Z56956073 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|2,0,0]=4 344 B11R1.83 C=CCC1=CC=C(C=C1)C=O Z1511744017 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.83 CCC1=CC=C(C=C1)/C=N/O Z49568588 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.83 CCNC1=CC=C(C=C1)CN Z954985480 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.83 CCOC1=CC=C(C=C1)C=O Z53833126 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [1,1,0,0,0,0|0,0,1]=3 352 B11R1.83 COC1=CC=C(C=C1)/C=N/O Z49568452 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.83 COCC1=CC=C(C=C1)C#N Z295205408 [1,1,0,0,0,0|0,0,2]=4 354 B11R1.83 COCC1=CC=C(C=C1)C=O Z1198331617 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.83 COCC1=CC=C(C=C1)CN Z240084734 [1,1,0,0,0,0|0,0,1]=3 356 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.83 CSC1=CC=C(C=C1)/C=N/O Z49568577 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.83 CSCC1=CC=C(C=C1)C=O Z2216784275 [1,1,0,0,0,0|1,1,0]=4 359 B11R1.83 N#CC1=CC=C(C=C1)CCO Z964982550 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.83 N#CCC1=CC=C(C=C1)C=O Z1255373857 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [1,1,0,0,0,0|0,0,1]=3 362 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.83 O=CC1=CC=C(C=C1)OCF Z4875012342 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.279 CC1=C(C=CC(=C1)C#N)CO Z1255402462 [1,1,0,0,0,0|0,0,2]=4 365 B11R1.279 CCC1=C(C=C(C=C1)C=O)F Z2472525344 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.279 CCC1=CC(=C(C=C1)C=O)C Z1511897707 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.279 CCC1=CC(=C(C=C1)C=O)F Z3244744229 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.279 COC1=C(C=C(C=C1)CO)Cl Z385370262 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.279 CSC1=C(C=C(C=C1)CO)Cl Z1436298631 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.279 N#CC1=CC(=C(C=C1)CO)Br Z1269221754 [1,1,0,0,0,0|0,0,2]=4 371 B11R1.279 N#CC1=CC(=C(C=C1)CO)Cl Z1255441952 [1,1,0,0,0,0|0,0,2]=4 372 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N Z45415564 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O Z360053740 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)C Z104477440 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)F Z513735432 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N Z1198175137 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Br Z3325481828 [1,1,0,0,0,0|0,0,0]=2 385 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F Z1741959288 [1,1,0,0,0,0|0,0,0]=2 386 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)Br Z57206544 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F Z116821650 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N Z57912417 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)O Z323032498 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Br Z57204180 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C Z104477078 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl Z1097117588 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F Z104510124 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I Z239685220 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)N Z57127001 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O Z166652050 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.21 CC1=C(C=C(C=C1)C(C)N)C Z285186052 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.21 CC1=C(C=C(C=C1)C(C)N)F Z363990474 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.21 CC1=C(C=CC(=C1)C(=N)N)Br Z2574917660 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.21 CC1=C(C=CC(=C1)C(=N)N)F Z317027402 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)I Z1118973913 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N Z239125318 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.21 CN1C=CC(=CC1=O)C(=O)N Z317545418 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.21 N=C(N)C1=CC(=C(C=C1)Cl)Cl Z1416282440 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.21 N=C(N)C1=CC(=C(C=C1)F)Cl Z1366975529 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)F Z851822858 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)O Z1269119521 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.21 NC(=O)C1=CC(=C(C=C1)Cl)N Z239125304 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)F Z82670082 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N Z316119774 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.21 NC(=O)C1=CC(=C(C=C1)I)Br Z394874930 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.21 NC(=O)C1=CC(=C(C=C1)I)F Z1127744306 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)Br Z317054104 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)F Z995047024 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)N Z424798268 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)O Z1126161217 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.22 CC1=CC=C(C=C1)/C(=N/O)/N Z57626985 [1,1,0,0,0,0|0,0,0]=2 428 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.22 CC1=CC=C(C=C1)C(=O)NO Z59182007 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)Cl Z57627739 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)O Z156964722 [1,1,0,0,0,0|0,0,0]=2 451 B11R1.22 NC1=CC=C(C=C1)/C(=N/O)/N Z364003706 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.22 NNC(=O)C1=CC=C(C=C1)Br Z56899079 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.22 NNC(=O)C1=CC=C(C=C1)F Z56862389 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.22 NNC(=O)C1=CC=C(C=C1)N Z57199627 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br Z59181930 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.22 O=C(NO)C1=CC=C(C=C1)Cl Z59181938 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.22 O=C(NO)C1=CC=C(C=C1)I Z59181951 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.166 CC(=O)C1=C(C=C(C=C1)C)O Z169857138 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)C Z1255386683 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl Z1222422341 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F Z1123826135 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O Z57101026 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.166 CC1=C(C=CC(=C1)N)C(=O)N Z877632726 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)N Z1255467737 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O Z1255361025 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.166 CC1=CC(=C(C=C1)C(=N)N)F Z4994084523 [1,1,0,0,0,0|0,0,0]=2 473 B11R1.166 CC1=CC(=C(C=C1)C(=N)N)N Z223781296 [1,1,0,0,0,0|0,0,0]=2 474 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)N Z1201619842 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O Z68591273 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Br Z1269191524 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C Z104478236 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Cl Z1741968837 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F Z732710382 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O Z104500502 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.166 CC1=CC(=C(C=C1)C(=S)N)C Z85918833 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)N)C Z1217910494 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)N Z741559924 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.166 CC1=NC(=C(C=C1)C(=O)N)Cl Z458889072 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.166 N=C(N)C1=C(C=C(C=C1)Cl)O Z1815155449 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.166 NC(=O)C1=C(C=C(C=C1)Br)Cl Z448248264 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.166 NC(=O)C1=C(C=C(C=C1)Br)I Z1083498168 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.166 NC(=O)C1=C(C=C(C=C1)Cl)F Z116821738 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.166 NC(=O)C1=C(C=C(C=C1)Cl)N Z239125314 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.166 NC(=O)C1=C(C=C(C=C1)Cl)O Z68591606 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)Br Z101185864 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)Cl Z33546959 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)F Z33546764 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.166 NC(=O)C1=C(C=C(C=C1)F)N Z424996802 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl Z239125316 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)F Z851815218 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)N Z756172834 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)F Z1201620915 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)O Z104502292 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.124 N=C(N)C1=CN(N=C1)CCO Z3073155769 [0,1,0,0,1,0|2,0,0]=4 501 B13R1.4 NS(=O)(=O)CC1=CC=C(C=C1)CO Z1267897781 [0,1,0,0,0,1|2,0,0]=4 502 B13R1.5 COC(=O)NC1=CC=C(C=C1)CO Z1250127728 [0,1,0,0,0,1|2,0,0]=4 503 B13R1.5 COC1=CC=C(C=C1)C/C(=N/O)/N Z285225846 [0,1,0,0,0,1|2,0,0]=4 504 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)CO Z1551958932 [0,1,0,0,0,1|2,0,0]=4 505 B13R1.35 COC1=C(C=C(C=C1)CC(=N)N)F Z1263602367 [0,1,0,0,0,1|2,0,0]=4 506 B13R1.36 NC(C(=O)O)C1=CC=C(C=C1)CO Z2510296391 [0,1,0,0,0,1|2,0,0]=4 507 B13R1.142 CC(=O)NC1=CC=C(C=C1)CCO Z785801482 [0,1,0,0,0,1|2,0,0]=4 508 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N Z56754688 [0,1,0,0,0,1|2,0,0]=4 509 B13R1.585 CC(N)C1=CC=C(C=C1)NC(=O)N Z278090892 [0,1,0,0,0,1|2,0,0]=4 510 B13R1.585 NC(=O)CC1=CC=C(C=C1)C(=O)O Z1255359559 [0,1,0,0,0,1|1,0,1]=4 511 B13R1.585 NC(=O)NC1=CC=C(C=C1)C(=O)O Z56896940 [0,1,0,0,0,1|1,0,1]=4 512 B13R1.95 COC(=O)C1=C(C=C(C=C1)CO)C Z1486037182 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN Z56862721 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.139 CNC(=O)C1=CC=C(C=C1)CCN Z2786070966 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.139 CNC(=O)C1=CC=C(C=C1)CSC Z32015680 [0,2,0,0,0,0|1,1,0]=4 516 B13R1.139 CNCC1=CC=C(C=C1)C(=O)NC Z104378218 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.139 COCC1=CC=C(C=C1)C(=O)OC Z51567779 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.452 CCNC(=O)C1=CC=C(C=C1)CN Z239125928 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.452 COC1=CC=C(C=C1)/C(=N/C#N)/N Z56759641 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.537 CCN(C)C1=CC=C(C=C1)C(=N)N Z409025366 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.537 CN(C)C1=CC=C(C=C1)/C(=N/O)/N Z744843658 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.537 CNC(=O)C1=CC=C(C=C1)B(O)O Z1171974290 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=N)N Z2168541787 [0,2,0,0,0,0|0,0,1]=3 524 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N Z33546865 [0,2,0,0,0,0|1,0,1]=4 525 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=S)N Z905062558 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)O Z816113634 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.537 N/C(=N\O)/C1=CC=C(C=C1)[N+](=O)[O-] Z291235500 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.537 O=C(O)C1=CC=C(C=C1)C(O)CF Z3003535596 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.3088 CNC(=O)C1=CC(=C(C=C1)CO)F Z1915972985 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.140 NS(=O)(=O)C1=CC=C(C=C1)CCO Z1267897765 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)O Z1238572199 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=N)N Z2941369665 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N Z33546472 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.338 CC(C)(C)C1=NC=C(C=C1)C(=N)N Z1255382376 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O Z1198159906 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.338 CC(F)(F)C1=CC=C(C=C1)C(=O)N Z1262637185 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.338 CC(O)C1=CC=C(C=C1)S(=O)(=O)N Z228586216 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.338 C[C@H](O)C1=CC=C(C=C1)S(=O)(=O)N Z959151858 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.338 N=C(N)C1=CC=C(C=C1)C(F)(F)F Z1407758632 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.338 NC(=O)C1=CC=C(C=C1)C(F)(F)F Z33546478 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.338 NC(=S)C1=CC=C(C=C1)C(F)(F)F Z364006568 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.120 CN(C)C1=C(C=C(C=C1)C(=N)N)F Z1431002627 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.120 CN(C)C1=CC(=C(C=C1)C(=N)N)Cl Z1042089730 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.120 CN(C)C1=CC(=C(C=C1)C(=N)N)F Z1431216269 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.120 NC(=O)C1=C(C=C(C=C1)B(O)O)Cl Z1201623976 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.120 NC(=O)C1=C(C=C(C=C1)C(=O)O)Cl Z3210757706 [0,2,0,0,0,0|1,0,1]=4 547 B13R1.144 CCNC1=C(C=C(C=C1)C(=O)N)N Z424797750 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.144 COCC1=C(C=C(C=C1)C(=O)O)F Z1080715152 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.74 C=CCOC1=CC=C(C=C1)C(=O)N Z111505666 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.74 COCOC1=CC=C(C=C1)C(=O)O Z149150724 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.74 O=C(O)C1=CC=C(C=C1)NCCO Z228588946 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCO Z118461560 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.99 COC1=C(C=CC(=C1)CO)C(=O)O Z1262514029 [0,2,0,0,0,0|2,0,0]=4 554 B13R2.2121 CC1=NC2=C(S1)C=C(C=C2)CO Z56823516 [0,0,0,1,0,1|2,0,0]=4 555 B13R2.2121 CC1=NC2=C(S1)C=CC(=C2)CO Z56824171 [0,0,0,1,0,1|1,0,0]=3 556 B13R2.2121 CCC1=CC2=C(C=C1)N=C(N2)O Z1766245361 [0,0,0,1,0,1|2,0,0]=4 557 B13R2.2121 CCC1=CC2=C(C=C1)N=C(S2)N Z56919761 [0,0,0,1,0,1|2,0,0]=4 558 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)N Z1198160975 [0,0,0,1,0,1|2,0,0]=4 559 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)N Z1255435333 [0,0,0,1,0,1|2,0,0]=4 560 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=N2)N Z1198157373 [0,0,0,1,0,1|1,0,1]=4 561 B13R2.2121 N#CC1=CC2=C(C=C1)OC(=N2)N Z1862023170 [0,0,0,1,0,1|1,0,1]=4 562 B13R2.2121 NC1=NC2=C(N1)C=CC(=C2)CO Z1263714733 [0,0,0,1,0,1|0,0,0]=2 563 B13R2.2121 NC1=NC2=C(O1)C=C(C=C2)CO Z1262682792 [0,0,0,1,0,1|1,0,0]=3 564 B13R2.2121 NCC1=CC2=C(C=C1)NC(=N2)N Z1945984218 [0,0,0,1,0,1|1,0,0]=3 565 B13R2.2121 NCC1=CC2=C(C=C1)OC(=O)N2 Z2753783365 [0,0,0,1,0,1|2,0,0]=4 566 B13R2.2130 CC1=NOC2=C1C=CC(=C2)CO Z3243449250 [0,1,0,1,0,0|1,0,0]=3 567 B13R2.2130 CN1N=NC2=C1C=CC(=C2)CO Z1201620716 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.2130 COC1=CC2=C(C=C1)C(=NO2)N Z1216820032 [0,1,0,1,0,0|2,0,0]=4 569 B13R2.2130 COC1=CC2=NNC(=C2C=C1)N Z1889917114 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.2130 NCC1=CC2=C(C=C1)C(=NN2)N Z2306661742 [0,1,0,1,0,0|1,0,0]=3 571 B13R2.2130 NCC1=CC2=C(C=C1)C(=NO2)N Z2299550797 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 Z3244608246 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.430 CC(=O)C1=CC2=C(C=C1)COC2 Z851017722 [0,1,0,1,0,0|2,0,0]=4 574 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 Z104477826 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 Z221421640 [0,1,0,1,0,0|1,0,1]=4 576 B13R2.430 C[C@@H](N)C1=CC2=C(C=C1)OCO2 Z360055458 [0,1,0,1,0,0|1,0,1]=4 577 B13R2.430 N=C(N)C1=CC2=C(C=C1)NC=N2 Z2310699378 [0,1,0,1,0,0|1,0,1]=4 578 B13R2.430 NC(=O)C1=CC2=C(C=C1)CCC2 Z49524894 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.430 NC(=O)C1=CC2=C(C=C1)COC2 Z955504160 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CO2 Z1082678580 [0,1,0,1,0,0|1,0,1]=4 581 B13R2.430 NC(=O)C1=CC2=C(C=C1)NCC2 Z1696091761 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCC2 Z337983212 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 Z33546650 [0,1,0,1,0,0|1,0,0]=3 584 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 Z381430268 [0,1,0,1,0,0|1,0,0]=3 585 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 Z1198272392 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 Z940646330 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 Z104476884 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.428 O=C(O)C1=CC=C(C=C1)C2CO2 Z1262512353 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.21 O=CC1=CC=C(O1)CO Z1238542812 [1,0,0,0,1,0|2,0,0]=4 590 B9R1.35 CC1=CC=C(O1)C(=N)N Z3235164533 [1,0,0,0,1,0|1,0,0]=3 591 B9R1.35 CC1=CC=C(O1)C(=O)N Z33547151 [1,0,0,0,1,0|2,0,0]=4 592 B9R1.35 CC1=CSC(=N1)C(=N)N Z1704732765 [1,0,0,0,1,0|2,0,0]=4 593 B9R1.35 CC1=NC(=CO1)C(=N)N Z4879972490 [1,0,0,0,1,0|2,0,0]=4 594 B9R1.35 CN1C=C(C=N1)C(=N)N Z1318268687 [1,0,0,0,1,0|2,0,0]=4 595 B9R1.35 CN1C=CC(=N1)C(=N)N Z2753488010 [1,0,0,0,1,0|2,0,0]=4 596 B9R1.35 N=C(N)C1=CC=C(S1)Cl Z752371230 [1,0,0,0,1,0|2,0,0]=4 597 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [1,0,0,0,0,1|2,0,0]=4 598 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,0,1|2,0,0]=4 599 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,0,1|2,0,0]=4 600 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,0,0,0,0,1|1,0,1]=4 601 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,0,0,0,0,1|0,0,0]=2 602 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,0,0,0,0,1|2,0,0]=4 603 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [1,0,0,0,0,1|1,0,0]=3 604 B11R1.20 CC1=CC=C(C=C1)NC(=S)N Z57965505 [1,0,0,0,0,1|1,0,0]=3 605 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,0,0,0,0,1|1,0,0]=3 606 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,0,0,0,0,1|1,0,0]=3 607 B11R1.20 N=C(N)NC1=CC=C(C=C1)Br Z5099116935 [1,0,0,0,0,1|1,0,0]=3 608 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl Z2931635778 [1,0,0,0,0,1|1,0,0]=3 609 B11R1.20 N=C(N)NC1=CC=C(C=C1)N Z2471157136 [1,0,0,0,0,1|1,0,0]=3 610 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,0,0,0,0,1|2,0,0]=4 611 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,0,0,0,0,1|2,0,0]=4 612 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,0,0,0,0,1|2,0,0]=4 613 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,0,0,0,0,1|2,0,0]=4 614 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [1,0,0,0,0,1|2,0,0]=4 615 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [1,0,0,0,0,1|2,0,0]=4 616 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [1,0,0,0,0,1|2,0,0]=4 617 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [1,0,0,0,0,1|2,0,0]=4 618 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [1,0,0,0,0,1|2,0,0]=4 619 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,0,0,0,0,1|2,0,0]=4 620 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl Z56939186 [1,0,0,0,0,1|2,0,0]=4 621 B11R1.20 NC(=S)NC1=CC=C(C=C1)F Z57455239 [1,0,0,0,0,1|2,0,0]=4 622 B11R1.266 CC(=O)C1=CC(=CC=C1)CO Z1255384632 [0,0,0,0,1,1|2,0,0]=4 623 B11R1.266 COC1=CC(=CC=C1)C(=N)N Z1263714060 [0,0,0,0,1,1|2,0,0]=4 624 B11R1.266 COC1=CC(=NC=C1)C(=N)N Z2760930341 [0,0,0,0,1,1|2,0,0]=4 625 B11R1.266 COC1=NC=CC(=C1)C(=N)N Z4920055179 [0,0,0,0,1,1|2,0,0]=4 626 B11R1.266 N=C(N)C1=CC=CC(=C1)CN Z1860991513 [0,0,0,0,1,1|1,0,0]=3 627 B11R1.266 NC(=O)C1=CC(=CC=C1)CCl Z363967382 [0,0,0,0,1,1|2,0,0]=4 628 B11R1.266 NC(=O)C1=CC(=CC=C1)CO Z431951860 [0,0,0,0,1,1|1,0,0]=3 629 B11R1.266 NCC1=CC(=NC=C1)C(=O)N Z4760518872 [0,0,0,0,1,1|2,0,0]=4 630 B11R1.266 O=C(O)C1=CC(=NC=C1)CO Z2856164825 [0,0,0,0,1,1|2,0,0]=4 631 B11R1.266 O=C(O)C1=CC=CC(=C1)CO Z385458084 [0,0,0,0,1,1|2,0,0]=4 632 B11R1.266 O=C(O)C1=CN=CC(=C1)CO Z4748876044 [0,0,0,0,1,1|2,0,0]=4 633 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [0,0,0,0,0,2|2,0,0]=4 634 B13R1.3 CSC1=CC=C(C=C1)OCC(=N)N Z1436472894 [0,0,0,0,0,2|2,0,0]=4 635 B13R1.3 NCC1=CC=C(C=C1)OCC(=O)N Z228474638 [0,0,0,0,0,2|2,0,0]=4 636 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [0,0,0,0,0,2|2,0,0]=4 637 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [0,0,0,0,0,2|2,0,0]=4