0 B8R1.5 CC1=C(C=CC=C1)C Z212053190 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.5 CC1=C(C=CC=C1)F Z104474026 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.5 CC1=C(C=CC=C1)N Z57127943 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.5 CC1=C(C=CC=N1)I Z1269190410 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.5 CC1=C(C=CN=C1)Br Z1201621264 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.5 CC1=C(C=CN=N1)N Z1964347676 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.5 CC1=C(C=NC=C1)Br Z1255379175 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.5 CC1=C(C=NC=C1)N Z625801040 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.5 CC1=C(N=CC=C1)Br Z968908232 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.5 CC1=C(N=CC=C1)C Z104472816 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.5 CC1=C(N=CC=C1)N Z203045034 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.5 CC1=C(N=CC=C1)S Z968907338 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.5 CC1=C(N=CC=N1)Br Z1198181977 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.5 CC1=C(N=CC=N1)C Z448248230 [0,0,0,0,0,0|0,0,0]=0 16 B8R1.5 CC1=C(N=CC=N1)Cl Z1198147877 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.5 CC1=C(N=CC=N1)F Z1551948468 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.5 CC1=C(N=CC=N1)N Z3068686273 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.5 CC1=C(N=CN=C1)C Z2760929781 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.5 CC1=C(N=CN=C1)Cl Z1198176691 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.5 CC1=C(N=NC=C1)Cl Z1198179855 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.5 CC1=CC=CNC1=O Z1013766914 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.5 CC1=CC=NNC1=O Z3227035121 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.5 CC1=CNC=CC1=N Z1263529539 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.5 CC1=[N+](C=CC=C1)C Z56791140 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.5 CC1=[N+](C=CC=C1)N Z57931449 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.5 CN1C=CC=CC1=S Z56928900 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.5 CN1C=CC=NC1=O Z1198218328 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.5 C[N+]1=C(C=CC=C1)Br Z56756330 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.5 C[N+]1=C(C=CC=C1)Cl Z104501460 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.5 C[N+]1=C(C=CC=C1)N Z56872249 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.5 ClC1=C(C=CC=C1)Cl Z104473644 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.5 ClC1=C(C=CC=N1)Br Z808600354 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.5 ClC1=C(C=NC=N1)Br Z1079255426 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.5 ClC1=C(C=NC=N1)I Z1079458538 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.5 ClC1=C(N=CC=C1)Br Z415645050 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.5 ClC1=C(N=CC=C1)Cl Z164708870 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.5 ClC1=C(N=CC=N1)Br Z1255362476 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.5 ClC1=C(N=CC=N1)Cl Z850504018 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.5 ClC1=C(N=CC=N1)I Z1813099369 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.5 ClC1=C(N=CN=C1)Cl Z1198221914 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.5 FC1=C(C=CC=C1)Br Z756953644 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.5 FC1=C(C=CC=C1)F Z104473256 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.5 FC1=C(C=CC=N1)I Z1238548161 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.5 FC1=C(N=CC=C1)Br Z997724396 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.5 FC1=C(N=CC=C1)Cl Z850328566 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.5 FC1=C(N=CC=N1)Cl Z1551935456 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.5 FC1=C(N=CN=C1)Cl Z1201625151 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.5 NC1=C(C=CC=C1)Br Z104472512 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.5 NC1=C(C=CC=C1)F Z104474198 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.5 NC1=C(C=CC=C1)I Z104472778 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.5 NC1=C(C=CC=C1)N Z104472742 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.5 NC1=C(C=CC=C1)O Z57127952 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.5 NC1=C(C=CC=N1)I Z363805876 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.5 NC1=C(C=CC=N1)O Z104495292 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.5 NC1=C(C=NC=N1)Br Z1198152536 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.5 NC1=C(C=NC=N1)F Z1255487690 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.5 NC1=C(N=CC=C1)Cl Z104475710 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.5 NC1=C(N=CC=C1)N Z385438806 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.5 NC1=C(N=CC=C1)O Z969560564 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.5 NC1=C(N=CC=C1)S Z411993618 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.5 NC1=C(N=CC=N1)N Z1198174211 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.5 NC1=C(N=CC=N1)S Z1203579756 [0,0,0,0,0,0|2,0,0]=2 65 B8R1.5 NC1=C(N=CN=C1)N Z316094270 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.5 NC1=CNC=NC1=O Z2213893347 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.5 NC1=NC=CNC1=O Z3225902419 [0,0,0,0,0,0|2,0,1]=3 68 B8R1.5 O=C1NC=CC=C1I Z1269208652 [0,0,0,0,0,0|3,0,1]=4 69 B8R1.5 O=C1NC=CC=C1O Z104495360 [0,0,0,0,0,0|3,0,1]=4 70 B8R1.5 O=C1OC=CC=C1O Z1198156687 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.5 OC1=C(C=CC=C1)Br Z56347198 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.5 OC1=C(C=CC=C1)Cl Z104473270 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.5 OC1=C(C=CC=C1)I Z384970702 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.5 OC1=C(C=CC=C1)O Z104473810 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.5 OC1=C(C=CC=N1)F Z850327726 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.5 OC1=C(C=NC=N1)Cl Z1198222685 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.5 OC1=C(N=CC=C1)F Z1198164106 [0,0,0,0,0,0|3,0,0]=3 78 B8R1.5 SC1=C(C=CC=N1)Br Z808603100 [0,0,0,0,0,0|3,0,0]=3 79 B8R1.5 SC1=C(C=CC=N1)Cl Z220567008 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.3 BrC1=CN=CN=C1 Z285136922 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 BrC1=NC=CC=N1 Z415645012 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.3 BrC1=NC=CN=C1 Z415645016 [1,0,0,0,0,0|1,0,0]=2 83 B7R1.3 BrC1=NN=CC=C1 Z425821176 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.3 CC1=CN=CC=C1 Z104475010 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.3 CC1=CN=NC=C1 Z1255398931 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 CC1=NC=CC=C1 Z104472800 [1,0,0,0,0,0|1,0,0]=2 87 B7R1.3 CC1=NC=CN=C1 Z415628164 [1,0,0,0,0,0|0,0,0]=1 88 B7R1.3 CC1=NN=CC=C1 Z1245648324 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 C[N+]1=CC=CC=C1 Z57947843 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 ClC1=NC=CC=N1 Z104477694 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 ClC1=NC=CN=C1 Z104490192 [1,0,0,0,0,0|1,0,0]=2 92 B7R1.3 ClC1=NC=NC=C1 Z1962223597 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 ClC1=NN=CC=C1 Z3225948108 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 IC1=CN=CN=C1 Z1259106172 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.3 IC1=NC=CN=C1 Z1235940810 [1,0,0,0,0,0|1,0,0]=2 96 B7R1.3 NC1=CC=CC=C1 Z2301541997 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 NC1=CN=CC=C1 Z104494800 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.3 NC1=CN=CN=C1 Z800187814 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.3 NC1=NC=CC=C1 Z104472278 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.3 NC1=NC=CC=N1 Z2895177097 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.3 NC1=NC=CN=C1 Z56899063 [1,0,0,0,0,0|1,0,0]=2 102 B7R1.3 NC1=NC=NC=C1 Z3244659415 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.3 NC1=NC=NN=C1 Z1203581736 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.3 NC1=NN=CC=C1 Z991531024 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.3 NC1=NN=CC=N1 Z104477884 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 O=C1C=CC=CN1 Z1245646663 [1,0,0,0,0,0|2,0,1]=4 107 B7R1.3 O=C1C=CC=NN1 Z803153778 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.3 O=C1C=NC=CN1 Z3225868124 [1,0,0,0,0,0|1,0,1]=3 109 B7R1.3 O=C1N=CC=CN1 Z1201023052 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.3 OC1=CC=CC=C1 Z104473830 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.3 OC1=CN=CC=C1 Z104476790 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.3 OC1=CN=CN=C1 Z1116372083 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.3 OC1=CN=NC=C1 Z2235790619 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.3 OC1=NC=NC=C1 Z314605438 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.3 S=C1C=CNC=N1 Z1258992452 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.3 SC1=NC=CC=C1 Z203045372 [1,0,0,0,0,0|2,0,0]=3 117 B7R1.3 SC1=NC=CC=N1 Z87001196 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.3 SC1=NC=CN=C1 Z239089534 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.3 CC1=C(C(=CC=C1)Br)C Z165205526 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 CC1=C(C(=CC=C1)N)Br Z1255379702 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.3 CC1=C(C(=CC=C1)N)C Z104472546 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.3 CC1=C(C(=CC=C1)N)Cl Z1198316539 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.3 CC1=C(C(=CC=C1)N)N Z104493206 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.3 CC1=C(C(=CC=C1)O)Br Z1198267200 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.3 CC1=C(C(=CC=C1)O)Cl Z1198147985 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.3 CC1=C(C(=CC=C1)O)I Z1269223622 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.3 CC1=C(C(=CC=C1)O)N Z729250490 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.3 CC1=C(C(=CC=C1)O)O Z56347229 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.3 CC1=C(C(=CC=N1)Cl)Cl Z1198234260 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.3 CC1=C(C(=CC=N1)N)Br Z1198314047 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.3 CC1=C(C(=CC=N1)N)Cl Z1198221360 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.3 CC1=C(C(=CC=N1)O)Cl Z1255417996 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.3 CC1=C(C(=CN=C1)Br)C Z1255428261 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.3 CC1=C(C(=NC=C1)N)Br Z1198175808 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.3 CC1=C(C(=NC=C1)N)C Z3241253461 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.3 CC1=C(C(=NC=C1)N)N Z1143235798 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.3 CC1=C(C(=NC=C1)O)Br Z1198234337 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.3 CC1=C(C(=NC=N1)Br)F Z1255505111 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.3 CC1=C(C(=NC=N1)Cl)Br Z1269217093 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.3 CC1=C(C(=NC=N1)Cl)C Z800200816 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.3 CC1=C(C(=NC=N1)Cl)F Z988984134 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.3 CC1=C(C(=NC=N1)N)Br Z1198154319 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.3 CC1=C(C(=NC=N1)N)C Z904980686 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.3 CC1=C(C(=NC=N1)O)C Z1642061386 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.3 CC1=C(C(=NC=N1)O)F Z3234879708 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.3 CC1=C(C(=NN=C1)Cl)C Z1813117531 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.3 CC1=C(C(=O)C=CN1)C Z1203830064 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.3 CC1=C(C(=O)C=CO1)O Z1255382969 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.3 CC1=C(C(=S)C=CO1)O Z1198156366 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.3 CC1=C(C=CC=C1Cl)Br Z1269115561 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.3 CC1=C(C=CC=C1Cl)Cl Z317043666 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.3 CC1=C(C=CC=C1Cl)I Z381540782 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.3 CC1=C(C=CC=C1N)Br Z1037334720 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.3 CC1=C(C=CC=C1N)F Z838909452 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.3 CC1=C(C=CC=C1O)F Z838919472 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.3 CC1=C(C=CN=C1N)O Z3875516970 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.3 CC1=C(N=CN=C1Cl)Cl Z1140399216 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.3 CC1=C(N=CN=C1F)F Z1255361469 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.3 CC1=C(N=CN=C1N)N Z1203580747 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.3 CC1=C(NC=NC1=O)N Z2216303046 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.3 CC1=CC=CC(=C1N)C Z57127391 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.3 CC1=CC=CC(=C1O)C Z104473832 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.3 CC1=NC=CC(=C1N)C Z1203578937 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.3 CC1=NC=NC(=C1O)C Z1255461596 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.3 CN1C(=O)C=CN=C1N Z990948114 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.3 CN1C=CN=C(C1=O)N Z1037587554 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.3 NC1=C(C(=CC=N1)F)I Z2582143713 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.3 NC1=C(C(=NC=C1)O)N Z1198272393 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.3 OC1=C(C(=CC=N1)Br)Cl Z1269109671 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 BrCC1=C(C=CC=C1)Br Z56969700 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.15 C#CC1=C(N=CC=N1)Cl Z1258977238 [0,1,0,0,0,0|1,0,1]=3 172 B9R1.15 CC1=C(C=CC=C1)C=O Z104478122 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.15 CC1=C(C=CC=C1)CO Z335244790 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.15 CC1=C(C=CC=C1)NN Z56933829 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.15 CC1=C(C=CC=N1)C#N Z1198168592 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.15 CC1=C(C=CC=N1)C=O Z1104852897 [0,1,0,0,0,0|1,0,1]=3 177 B9R1.15 CC1=C(C=CN=C1)CO Z1198163942 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.15 CC1=C(C=NC=C1)CO Z1198156922 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.15 CC1=C(C=NC=N1)C#N Z1263714352 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.15 CC1=C(N=CC=C1)C#N Z382716046 [0,1,0,0,0,0|1,0,1]=3 181 B9R1.15 CC1=C(N=CC=C1)C=O Z1079442732 [0,1,0,0,0,0|1,0,1]=3 182 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.15 CC1=C(N=CC=N1)C#N Z1198181979 [0,1,0,0,0,0|0,0,1]=2 184 B9R1.15 CC1=C(N=CC=N1)C=O Z1198233269 [0,1,0,0,0,0|0,0,1]=2 185 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [0,1,0,0,0,0|0,0,0]=1 186 B9R1.15 CC1=C(N=CN=C1)C#N Z1216842029 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.15 CC1=C(N=CN=C1)C=O Z1198279991 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.15 CCC1=C(C=CC=C1)Br Z1255457372 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.15 CCC1=C(C=CC=C1)O Z104477226 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.15 CCC1=C(C=NC=N1)O Z1618133826 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,1,0,0,0,0|1,0,1]=3 196 B9R1.15 CCC1=NNC=NC1=O Z1201628993 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.15 CNC1=C(C=CC=C1)Br Z2588063702 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.15 CNC1=C(C=CC=C1)F Z335276746 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.15 CNC1=C(C=CC=C1)N Z57472969 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.15 CNC1=C(C=CC=N1)Br Z808603280 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.15 CNC1=C(C=CC=N1)C Z968907582 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.15 CNC1=C(C=CC=N1)F Z997723632 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.15 CNC1=C(C=CC=N1)N Z803145504 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.15 CNC1=C(C=CN=C1)C Z1124504699 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.15 CNC1=C(C=NC=C1)C Z1147200119 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.15 CNC1=C(C=NC=N1)F Z1681383887 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.15 CNC1=C(C=NC=N1)I Z1269149847 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.15 CNC1=C(N=CC=C1)C Z1295808975 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.15 CNC1=C(N=CC=C1)N Z1203578357 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.15 CNC1=C(N=CC=N1)C Z2768516750 [0,1,0,0,0,0|0,0,0]=1 211 B9R1.15 COC1=C(C=CC=C1)F Z54600290 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.15 COC1=C(C=CC=C1)O Z104474028 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.15 COC1=C(C=CC=N1)N Z240084308 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.15 COC1=C(C=CC=N1)O Z1255423921 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.15 COC1=C(C=CN=N1)N Z2146515312 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.15 COC1=C(C=NC=N1)Br Z1272130999 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.15 COC1=C(C=NC=N1)I Z1269172401 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.15 COC1=C(C=NC=N1)N Z1198222304 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.15 COC1=C(N=CC=C1)C Z1198150814 [0,1,0,0,0,0|1,0,0]=2 220 B9R1.15 COC1=C(N=CC=C1)N Z362783902 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.15 COC1=C(N=CC=N1)N Z1198166025 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.15 COC1=C(N=CN=C1)N Z1201621261 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.15 COC1=CC=CNC1=O Z2678251321 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.15 CSC1=C(C=CC=C1)C Z785054008 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.15 CSC1=C(C=CC=C1)N Z104478220 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.15 CSC1=C(C=CC=N1)Br Z808605456 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.15 CSC1=C(N=CC=C1)N Z1203640622 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [0,1,0,0,0,0|1,0,0]=2 229 B9R1.15 N#CC1=C(C=CC=N1)N Z2756841900 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.15 N#CC1=C(N=CC=C1)N Z295203364 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.15 N#CC1=C(N=CC=N1)Br Z995020080 [0,1,0,0,0,0|1,0,1]=3 232 B9R1.15 N#CC1=C(N=CC=N1)Cl Z992759282 [0,1,0,0,0,0|1,0,1]=3 233 B9R1.15 N#CC1=C(N=CC=N1)N Z995018904 [0,1,0,0,0,0|1,0,1]=3 234 B9R1.15 N#CC1=C(N=CC=N1)O Z995023286 [0,1,0,0,0,0|1,0,1]=3 235 B9R1.15 NC1=C(C=CC=C1)CO Z104495736 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.15 NC1=C(C=CC=N1)C=O Z787969952 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.15 NC1=C(C=NC=N1)CO Z1198223533 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [0,1,0,0,0,0|1,0,0]=2 239 B9R1.15 NCC1=C(C=CC=C1)Cl Z55002587 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.15 NCC1=C(C=CC=C1)I Z2574934431 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.15 NCC1=C(C=CC=C1)O Z993991142 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.15 NCC1=C(C=CC=N1)F Z1575304378 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.15 NCC1=C(C=CC=N1)N Z1198181626 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.15 NCC1=C(C=CC=N1)O Z1198156472 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [0,1,0,0,0,0|1,0,0]=2 246 B9R1.15 NCC1=C(N=CN=C1)N Z1456202381 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.15 NNC1=C(C=CC=N1)N Z1203148325 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.15 O=CC1=C(C=CC=N1)Br Z1201624233 [0,1,0,0,0,0|2,0,1]=4 249 B9R1.15 O=CC1=C(C=CC=N1)Cl Z1198267206 [0,1,0,0,0,0|2,0,1]=4 250 B9R1.15 O=CC1=C(C=CC=N1)F Z1201624236 [0,1,0,0,0,0|2,0,1]=4 251 B9R1.15 O=CC1=C(C=CC=N1)O Z1201623419 [0,1,0,0,0,0|2,0,1]=4 252 B9R1.15 OCC1=C(C=CC=C1)Br Z335245004 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.15 OCC1=C(C=CC=C1)Cl Z104476786 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.15 OCC1=C(C=CC=C1)F Z104495204 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.15 OCC1=C(C=CC=C1)I Z57472670 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.15 OCC1=C(C=CC=C1)O Z335244902 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.15 OCC1=C(N=CC=C1)Cl Z979431808 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.15 SCC1=C(C=CC=C1)Cl Z55948221 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 CC1=C(C=C(C=C1)Cl)N Z104479890 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 CC1=C(C=C(C=C1)Cl)O Z384970604 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 CC1=C(C=C(C=C1)F)Br Z168880596 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 CC1=C(C=C(C=C1)F)N Z104477984 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 CC1=C(C=C(C=C1)I)N Z414834730 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 CC1=C(C=C(C=C1)N)Br Z285720874 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.69 CC1=C(C=C(C=C1)N)C Z104472552 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.69 CC1=C(C=C(C=C1)N)Cl Z57127543 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.69 CC1=C(C=C(C=C1)N)F Z104477330 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 CC1=C(C=C(C=C1)N)I Z56926636 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.69 CC1=C(C=C(C=C1)N)N Z57825344 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.69 CC1=C(C=C(C=C1)N)O Z944939438 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.69 CC1=C(C=C(C=C1)O)C Z104477218 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.69 CC1=C(C=C(C=N1)Br)N Z1198183234 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.69 CC1=C(C=C(C=N1)Br)O Z1255428492 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.69 CC1=C(C=C(C=N1)N)Br Z1198175716 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.69 CC1=C(C=C(C=N1)O)Br Z1198234267 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.69 CC1=C(C=C(N=C1)N)C Z1198182514 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.69 CC1=C(C=C(N=N1)Cl)Cl Z1258850959 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.69 CC1=C(C=CC(=C1)Br)Br Z1262253894 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.69 CC1=C(C=CC(=C1)Br)I Z1269231220 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.69 CC1=C(C=CC(=C1)Br)O Z57203793 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.69 CC1=C(C=CC(=C1)Cl)N Z104474180 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.69 CC1=C(C=CC(=C1)Cl)O Z104477908 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.69 CC1=C(C=CC(=C1)F)O Z384970672 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.69 CC1=C(C=CC(=C1)I)N Z56960244 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.69 CC1=C(C=CC(=C1)N)Br Z104476134 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.69 CC1=C(C=CC(=C1)N)Cl Z2471262583 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.69 CC1=C(C=CC(=C1)O)Br Z401597308 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.69 CC1=C(C=CC(=C1)O)Cl Z104477910 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.69 CC1=C(C=CC(=C1)O)F Z1021305330 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.69 CC1=C(C=CC(=C1)O)I Z1269160508 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.69 CC1=C(C=CC(=N1)Cl)I Z1269206091 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.69 CC1=C(C=CC(=N1)N)Br Z57376600 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.69 CC1=C(C=CC(=N1)N)I Z57296056 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.69 CC1=C(C=CC(=O)N1)Br Z1251353594 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.69 CC1=C(C=NC(=N1)Cl)Br Z1269140027 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.69 CC1=C(C=NC(=N1)Cl)F Z1255366771 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.69 CC1=C(C=NC(=N1)Cl)I Z2313106174 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.69 CC1=C(C=NC(=N1)N)Br Z1198150524 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.69 CC1=C(N=C(C=N1)Br)C Z1416194403 [0,1,0,0,0,0|0,0,0]=1 300 B9R1.69 CC1=C(N=C(C=N1)Cl)C Z1255462913 [0,1,0,0,0,0|0,0,0]=1 301 B9R1.69 CC1=C(N=C(C=N1)Cl)Cl Z1198342669 [0,1,0,0,0,0|1,0,0]=2 302 B9R1.69 CC1=C(N=C(C=N1)O)C Z1255400771 [0,1,0,0,0,0|0,0,0]=1 303 B9R1.69 CC1=C(N=C(N=C1)Br)Br Z1269156117 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.69 CC1=C(N=C(N=C1)Cl)C Z1255505274 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.69 CC1=C(N=C(N=C1)Cl)Cl Z1255386798 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.69 CC1=C(N=C(N=C1)Cl)I Z4389848877 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.69 CC1=C(N=C(N=C1)F)F Z1198725944 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.69 CC1=C(N=C(N=C1)N)O Z3235158428 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.69 CC1=C(N=C(N=N1)Cl)C Z1216825228 [0,1,0,0,0,0|1,0,0]=2 310 B9R1.69 CC1=C(N=C(N=N1)N)C Z1203162685 [0,1,0,0,0,0|1,0,0]=2 311 B9R1.69 CC1=C(N=C(N=N1)[O-])C Z1696871460 [0,1,0,0,0,0|1,0,0]=2 312 B9R1.69 CC1=C(N=CC(=C1)Br)Br Z1269220337 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.69 CC1=C(N=CC(=C1)N)C Z1198174887 [0,1,0,0,0,0|1,0,0]=2 314 B9R1.69 CC1=C(N=NC(=C1)Br)C Z1813162615 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.69 CC1=C(N=NC(=C1)Cl)Br Z2651639946 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.69 CC1=C(N=NC(=C1)Cl)C Z1013743394 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.69 CC1=C(N=NC(=C1)Cl)Cl Z1203161864 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.69 CC1=C(N=NC(=C1)N)C Z1013744332 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.69 CC1=C(N=NC(=C1)O)C Z1258992450 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.69 CC1=C(N=NC(=C1)O)O Z2379087837 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.69 CC1=C(N=NC(=C1)S)C Z3003235829 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.69 CC1=C(N=NC(=N1)Cl)Cl Z1255363674 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.69 CC1=C(NC(=O)C=C1)N Z3445688575 [0,1,0,0,0,0|2,0,1]=4 324 B9R1.69 CC1=CC(=C(C=C1)C)C Z104476700 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.69 CC1=CC(=C(C=C1)C)N Z57127441 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.69 CC1=CC(=C(C=C1)C)O Z104477216 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.69 CC1=CC(=C(C=C1)N)C Z57127436 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.69 CC1=CC(=C(N=C1)C)N Z3996549873 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.69 CC1=CC(=C(N=C1)N)C Z1197891469 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.69 CC1=CC(=C(N=C1)N)N Z1198163678 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.69 CC1=CC(=CNC1=O)Br Z1251353012 [0,1,0,0,0,0|2,0,1]=4 332 B9R1.69 CC1=CC(=CNC1=O)I Z1258842308 [0,1,0,0,0,0|2,0,1]=4 333 B9R1.69 CC1=CC(=NN=C1Cl)C Z1255433917 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.69 CC1=CNC(=O)C(=C1)C Z1203732572 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.69 CC1=CNC(=O)N=C1N Z1741980467 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.69 CC1=NC(=C(C=C1)Br)N Z1201622094 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.69 CC1=NC(=C(C=C1)Br)S Z2739314860 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.69 CC1=NC(=C(C=C1)N)O Z1198173820 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.69 CC1=NC(=C(C=C1)O)I Z1269109440 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.69 CC1=NC(=C(C=C1)O)N Z955136382 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.69 CC1=NC(=C(C=N1)C)Br Z2937803268 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.69 CC1=NC(=C(C=N1)C)Cl Z1198223810 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.69 CC1=NC(=C(C=N1)C)N Z1198261676 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.69 CC1=NC(=C(C=N1)N)C Z1198220830 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.69 CC1=NC(=C(C=N1)O)C Z1255426535 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.69 CC1=NC(=C(N=C1)C)Cl Z104479244 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.69 CC1=NC(=C(N=C1)C)F Z2920901477 [0,1,0,0,0,0|1,0,0]=2 349 B9R1.69 CC1=NC(=C(N=C1)C)N Z1203578739 [0,1,0,0,0,0|1,0,0]=2 350 B9R1.69 CC1=NC(=C(N=C1)C)O Z1198723414 [0,1,0,0,0,0|1,0,0]=2 351 B9R1.69 CC1=NC(=C(N=C1)Cl)C Z1201619176 [0,1,0,0,0,0|1,0,0]=2 352 B9R1.69 CC1=NN=C(C(=C1)Br)C Z3377872794 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.69 CC1=NN=C(NC1=O)N Z1198160530 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.69 CC1=NN=C(NC1=O)S Z56887779 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.69 CN1C=CC(=NC1=O)N Z1198148063 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.69 CN1N=CC(=CC1=O)I Z1618126523 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.69 ClC1=CC(=C(N=C1)Cl)Cl Z56771185 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.69 ClC1=NC(=C(C=C1)Cl)Br Z1269220551 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.69 ClC1=NC(=C(N=N1)Cl)Cl Z1198183779 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.69 FC1=C(N=CC(=C1)Cl)F Z1255442949 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.69 NC1=C(C=C(C=N1)Br)F Z1255491677 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.69 NC1=C(C=C(C=N1)Br)O Z1198222031 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.69 NC1=C(C=C(C=N1)Cl)Br Z1250167432 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.69 NC1=C(C=C(C=N1)Cl)Cl Z104477096 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.69 NC1=C(C=C(C=N1)Cl)I Z1230090484 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.69 NC1=C(C=C(C=N1)F)Br Z1201621986 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.69 NC1=C(C=C(C=N1)F)Cl Z1198218421 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.69 NC1=C(C=C(C=N1)F)I Z1269165281 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.69 NC1=C(C=C(C=N1)O)F Z1255463636 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.69 NC1=C(C=CC(=N1)Br)O Z1198313435 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.69 NC1=C(N=C(C=C1)Br)N Z1198277838 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.69 NC1=C(N=C(C=C1)Cl)N Z906122758 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.69 NC1=C(N=CC(=C1)Br)N Z56950512 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.69 NC1=C(N=CC(=C1)Cl)N Z273611680 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.69 NC1=C(N=CC(=C1)Cl)O Z1198173076 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.69 NC1=C(N=CC(=C1)I)O Z1486012481 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.69 NC1=NC(=C(C=C1)I)N Z1269132396 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.69 OC1=C(C=C(C=N1)Br)Cl Z1269176244 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.69 OC1=C(C=C(C=N1)Cl)Br Z1269191046 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.69 OC1=C(C=C(C=N1)Cl)I Z1269133390 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.69 OC1=C(N=C(C=C1)Cl)I Z1269175731 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.69 OC1=C(N=CC(=C1)Cl)O Z203045260 [0,1,0,0,0,0|3,0,0]=4 383 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [0,0,0,0,1,0|2,0,0]=3 384 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [0,0,0,0,1,0|2,0,1]=4 385 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,0,0,0,1,0|3,0,0]=4 386 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,0,0,0,1,0|3,0,0]=4 387 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,0,0,0,1,0|2,0,1]=4 388 B7R1.4 CC1=C(NN=N1)N Z2527856121 [0,0,0,0,1,0|2,0,1]=4 389 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,0,0,0,1,0|3,0,0]=4 390 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,0,0,0,1,0|2,0,0]=3 391 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,0,0,0,1,0|3,0,0]=4 392 B7R1.4 CC1=CC=NN1C Z826535916 [0,0,0,0,1,0|1,0,0]=2 393 B7R1.4 CC1=CNC=C1C Z1198162792 [0,0,0,0,1,0|2,0,0]=3 394 B7R1.4 CC1=CON=C1N Z995041844 [0,0,0,0,1,0|2,0,0]=3 395 B7R1.4 CC1=CSC=C1N Z1492796718 [0,0,0,0,1,0|3,0,0]=4 396 B7R1.4 CC1=NN=CN1C Z422646574 [0,0,0,0,1,0|2,0,0]=3 397 B7R1.4 CC1=NNC=C1N Z600615694 [0,0,0,0,1,0|2,0,0]=3 398 B7R1.4 CC1=NOC=C1N Z2466617876 [0,0,0,0,1,0|2,0,0]=3 399 B7R1.4 CC1=NON=C1N Z57948408 [0,0,0,0,1,0|2,0,0]=3 400 B7R1.4 CC1=NSC=C1N Z2737427927 [0,0,0,0,1,0|2,0,0]=3 401 B7R1.4 CN1C=CN=C1Br Z959380970 [0,0,0,0,1,0|2,0,0]=3 402 B7R1.4 CN1C=CN=C1N Z2309759326 [0,0,0,0,1,0|2,0,0]=3 403 B7R1.4 CN1C=CN=C1S Z57901905 [0,0,0,0,1,0|2,0,0]=3 404 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,0,1,0|2,0,1]=4 405 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,0,1,0|3,0,0]=4 406 B7R1.4 CN1C=NN=C1N Z1692788308 [0,0,0,0,1,0|3,0,0]=4 407 B7R1.4 CN1C=NN=C1S Z56922095 [0,0,0,0,1,0|3,0,0]=4 408 B7R1.4 CN1N=CC=C1N Z415654476 [0,0,0,0,1,0|2,0,0]=3 409 B7R1.4 CN1N=CN=C1N Z56757681 [0,0,0,0,1,0|2,0,0]=3 410 B7R1.4 CN1N=CN=C1S Z1655141058 [0,0,0,0,1,0|2,0,0]=3 411 B7R1.4 CN1N=NC=C1N Z4351247746 [0,0,0,0,1,0|3,0,0]=4 412 B7R1.4 CN1N=NC=C1O Z4561746935 [0,0,0,0,1,0|3,0,0]=4 413 B7R1.4 CN1N=NN=C1Cl Z727906904 [0,0,0,0,1,0|3,0,0]=4 414 B7R1.4 CN1N=NN=C1N Z56791607 [0,0,0,0,1,0|3,0,0]=4 415 B7R1.4 CN1N=NN=C1O Z1492395436 [0,0,0,0,1,0|3,0,0]=4 416 B7R1.4 CN1NC=NC1=O Z1582263737 [0,0,0,0,1,0|2,0,1]=4 417 B7R1.4 CN1SC=CC1=O Z3227502095 [0,0,0,0,1,0|3,0,0]=4 418 B7R1.4 C[N+]1=C(SC=C1)N Z56872230 [0,0,0,0,1,0|3,0,0]=4 419 B7R1.4 NC1=CNN=C1N Z802599594 [0,0,0,0,1,0|3,0,0]=4 420 B7R1.4 NC1=NNC=C1Cl Z1741966355 [0,0,0,0,1,0|3,0,0]=4 421 B7R1.4 NC1=NNC=C1I Z1269216483 [0,0,0,0,1,0|3,0,0]=4 422 B7R1.4 OC1=NSC=C1Br Z3243456041 [0,0,0,0,1,0|3,0,0]=4 423 B6R1.1 C1=CC=CC=C1 Z57120059 [2,0,0,0,0,0|2,0,0]=4 424 B6R1.1 C1=CC=NC=C1 Z56899837 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [1,1,0,0,0,0|1,0,1]=4 426 B8R1.2 CCC1=CC=CC=C1 Z104473632 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.2 CCC1=CN=CC=C1 Z104476778 [1,1,0,0,0,0|1,0,0]=3 428 B8R1.2 CCC1=NC=CC=C1 Z113558650 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [1,1,0,0,0,0|2,0,0]=4 431 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.2 CNC1=CC=CC=C1 Z104472478 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.2 CNC1=NC=CC=N1 Z54628578 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.2 CNC1=NC=NC=C1 Z800212728 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.2 CNC1=NN=CC=C1 Z991530894 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.2 CNC1=NN=CC=N1 Z1198323671 [1,1,0,0,0,0|1,0,0]=3 438 B8R1.2 COC1=CC=CC=C1 Z53833865 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [1,1,0,0,0,0|0,0,0]=2 440 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [1,1,0,0,0,0|1,0,1]=4 441 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [1,1,0,0,0,0|0,0,1]=3 442 B8R1.2 NCC1=CC=CC=C1 Z54748260 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.2 NCC1=CN=CC=C1 Z104474366 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.2 NCC1=NC=CC=C1 Z104474352 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.2 NCC1=NC=CC=N1 Z1463350843 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.2 NCC1=NC=CN=C1 Z241059702 [1,1,0,0,0,0|0,0,0]=2 448 B8R1.2 NCC1=NC=NC=C1 Z254526552 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.2 NNC1=NC=CC=C1 Z56887722 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [1,1,0,0,0,0|1,0,1]=4 452 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [1,1,0,0,0,0|1,0,1]=4 453 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [1,1,0,0,0,0|0,0,1]=3 454 B8R1.2 OCC1=CC=CC=C1 Z104476418 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.2 OCC1=CN=CC=C1 Z104495622 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.2 OCC1=NC=CC=C1 Z57921252 [1,1,0,0,0,0|1,0,0]=3 457 B8R1.3 BrC1=CN=C(C=C1)I Z1269172302 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [1,1,0,0,0,0|1,0,0]=3 466 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [1,1,0,0,0,0|1,0,0]=3 467 B8R1.3 CC1=CN=C(N=C1)Br Z1098236936 [1,1,0,0,0,0|2,0,0]=4 468 B8R1.3 CC1=CN=C(N=C1)Cl Z1098236276 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.3 CC1=CN=C(N=C1)F Z1198266630 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.3 CC1=CN=C(N=C1)N Z801565598 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.3 CC1=CN=C(N=C1)S Z1868163321 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.3 CC1=CNC(=O)N=C1 Z1098236277 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [1,1,0,0,0,0|1,0,0]=3 475 B8R1.3 CC1=NC=C(N=C1)Br Z1198181968 [1,1,0,0,0,0|0,0,0]=2 476 B8R1.3 CC1=NC=C(N=C1)Cl Z1198149378 [1,1,0,0,0,0|0,0,0]=2 477 B8R1.3 CC1=NC=C(N=C1)N Z1198177429 [1,1,0,0,0,0|0,0,0]=2 478 B8R1.3 CC1=NN=C(C=C1)Br Z802822146 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.3 CC1=NN=C(C=C1)F Z1251352426 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.3 CC1=NN=C(C=C1)I Z1209436744 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.3 CC1=NN=C(N=C1)N Z1203578846 [1,1,0,0,0,0|1,0,0]=3 483 B8R1.3 CC1=NNC(=O)C=C1 Z1201023044 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.3 ClC1=CN=C(C=C1)Br Z415645024 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.3 ClC1=CN=C(C=N1)Cl Z1198164590 [1,1,0,0,0,0|1,0,0]=3 486 B8R1.3 ClC1=NC=C(C=C1)Br Z239604476 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.3 ClC1=NC=C(N=C1)Br Z1198179757 [1,1,0,0,0,0|1,0,0]=3 488 B8R1.3 ClC1=NC=C(N=C1)I Z1269194601 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.3 FC1=CN=C(C=C1)Cl Z1238544557 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.3 FC1=NC=C(C=C1)Br Z977035742 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.3 FC1=NC=C(N=C1)Cl Z1198220735 [1,1,0,0,0,0|1,0,0]=3 492 B8R1.3 NC1=CN=C(C=C1)Cl Z335436282 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.3 NC1=CN=C(C=C1)I Z56788762 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.3 NC1=CN=C(C=C1)N Z385438796 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.3 NC1=CN=C(C=C1)O Z385458150 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.3 NC1=NC=C(C=C1)Br Z57073814 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.3 NC1=NC=C(C=C1)Cl Z104475596 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.3 NC1=NC=C(C=C1)F Z223120142 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.3 OC1=CN=C(C=C1)Br Z1201622821 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.3 OC1=CN=C(C=C1)I Z1269183606 [1,1,0,0,0,0|2,0,0]=4 501 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.3 OC1=NC=C(C=C1)Cl Z2235409237 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.3 OC1=NC=C(C=C1)F Z594267896 [1,1,0,0,0,0|2,0,0]=4 504 B8R1.3 OC1=NC=C(C=C1)I Z1269227573 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.3 SC1=NC=C(C=C1)Cl Z271138142 [1,1,0,0,0,0|2,0,0]=4 506 B8R1.4 BrC1=CC(=CN=C1)I Z1269188472 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.4 BrC1=CN=CC(=C1)Br Z57070461 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [1,1,0,0,0,0|2,0,0]=4 511 B8R1.4 CC1=CC(=CN=C1)Br Z1255461727 [1,1,0,0,0,0|1,0,0]=3 512 B8R1.4 CC1=CC(=NC=C1)Br Z851792570 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.4 CC1=CC(=NC=C1)N Z203045032 [1,1,0,0,0,0|2,0,0]=4 514 B8R1.4 CC1=CC(=NC=C1)S Z851791760 [1,1,0,0,0,0|2,0,0]=4 515 B8R1.4 CC1=CC(=NN=C1)Cl Z1201625142 [1,1,0,0,0,0|2,0,0]=4 516 B8R1.4 CC1=CC(=NN=C1)N Z1198278271 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.4 CC1=CC(=NN=C1)O Z1198278270 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [1,1,0,0,0,0|1,0,0]=3 520 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [1,1,0,0,0,0|1,0,1]=4 521 B8R1.4 CC1=NC(=CC=C1)Br Z600403652 [1,1,0,0,0,0|1,0,0]=3 522 B8R1.4 CC1=NC(=CC=C1)N Z104476000 [1,1,0,0,0,0|1,0,0]=3 523 B8R1.4 CC1=NC(=CC=N1)Br Z1013760006 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.4 CC1=NC(=CC=N1)Cl Z445153084 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.4 CC1=NC(=CN=C1)Br Z1255361267 [1,1,0,0,0,0|0,0,0]=2 526 B8R1.4 CC1=NC(=CN=C1)Cl Z1162448376 [1,1,0,0,0,0|0,0,0]=2 527 B8R1.4 CC1=NC(=CN=C1)F Z1862003526 [1,1,0,0,0,0|0,0,0]=2 528 B8R1.4 CC1=NC(=CN=C1)N Z1203578408 [1,1,0,0,0,0|0,0,0]=2 529 B8R1.4 CC1=NC(=N)C=CN1 Z2092177023 [1,1,0,0,0,0|2,0,0]=4 530 B8R1.4 CC1=NC(=NC=C1)Br Z1065587482 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.4 CC1=NC(=NC=C1)Cl Z1065586248 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.4 CC1=NC(=NC=C1)N Z104500640 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.4 CC1=NC(=NN=C1)N Z381019664 [1,1,0,0,0,0|1,0,0]=3 534 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [1,1,0,0,0,0|1,0,0]=3 537 B8R1.4 CC1=NC=NC(=C1)Br Z787349642 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.4 CC1=NC=NC(=C1)Cl Z787326738 [1,1,0,0,0,0|2,0,0]=4 539 B8R1.4 CC1=NC=NC(=C1)N Z787349196 [1,1,0,0,0,0|2,0,0]=4 540 B8R1.4 CC1=NC=NC(=C1)O Z314661966 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.4 CC1=NN=CC(=C1)N Z2462827969 [1,1,0,0,0,0|2,0,0]=4 542 B8R1.4 ClC1=CN=CC(=N1)Cl Z217291786 [1,1,0,0,0,0|1,0,0]=3 543 B8R1.4 ClC1=NC=CC(=C1)Br Z1255461858 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.4 FC1=CC(=CN=C1)I Z1269109329 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.4 FC1=NC(=CN=C1)Cl Z1255444361 [1,1,0,0,0,0|1,0,0]=3 546 B8R1.4 NC1=CC(=CN=C1)Cl Z2830704581 [1,1,0,0,0,0|2,0,0]=4 547 B8R1.4 NC1=CC(=CN=C1)F Z1201619910 [1,1,0,0,0,0|2,0,0]=4 548 B8R1.4 NC1=CC(=NC=C1)Cl Z217306542 [1,1,0,0,0,0|2,0,0]=4 549 B8R1.4 NC1=CC(=NC=C1)N Z851810344 [1,1,0,0,0,0|2,0,0]=4 550 B8R1.4 NC1=CC(=NC=C1)O Z851811376 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.4 NC1=CC=CC(=N1)N Z104495224 [1,1,0,0,0,0|2,0,0]=4 552 B8R1.4 NC1=CN=CC(=C1)N Z3158827045 [1,1,0,0,0,0|2,0,0]=4 553 B8R1.4 NC1=CN=CC(=O)N1 Z2756879989 [1,1,0,0,0,0|1,0,1]=4 554 B8R1.4 NC1=NC(=CC=C1)Br Z425864750 [1,1,0,0,0,0|2,0,0]=4 555 B8R1.4 NC1=NC(=CN=C1)Cl Z850999210 [1,1,0,0,0,0|1,0,0]=3 556 B8R1.4 NC1=NC(=O)C=NN1 Z1203579074 [1,1,0,0,0,0|2,0,0]=4 557 B8R1.4 NC1=NC=CC(=C1)F Z2513334082 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.4 NC1=NC=CC(=C1)O Z1198164201 [1,1,0,0,0,0|2,0,0]=4 559 B8R1.4 O=C1C=NNC(=N1)S Z2867502109 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.4 OC1=CC(=CN=C1)Br Z1172207821 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.4 OC1=CC(=CN=C1)I Z1269207182 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.4 OC1=CC(=NC=C1)O Z3225946514 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.4 OC1=CN=CC(=C1)O Z1198158915 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.4 [O-][N+]1=CC(=NC=C1)Cl Z1255465409 [1,1,0,0,0,0|1,0,1]=4 565 B8R1.11 C#CC1=CC=NN1C Z1183446001 [0,1,0,0,1,0|1,0,1]=4 566 B8R1.11 CC1=C(C=CO1)C#N Z1079178988 [0,1,0,0,1,0|1,0,1]=4 567 B8R1.11 CC1=C(C=CO1)C=O Z1079442526 [0,1,0,0,1,0|1,0,1]=4 568 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,0,1,0|1,0,0]=3 569 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,0,1,0|1,0,0]=3 570 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [0,1,0,0,1,0|1,0,1]=4 571 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,1,0,0,1,0|1,0,0]=3 572 B8R1.11 CC1=C(C=NN1)CN Z1837077131 [0,1,0,0,1,0|1,0,1]=4 573 B8R1.11 CC1=C(C=NN1)CO Z1198107480 [0,1,0,0,1,0|1,0,1]=4 574 B8R1.11 CC1=C(C=NO1)CN Z2895200737 [0,1,0,0,1,0|2,0,0]=4 575 B8R1.11 CC1=C(N=CN1)C#N Z1203746667 [0,1,0,0,1,0|0,0,2]=4 576 B8R1.11 CC1=C(N=CN1)CN Z1318147471 [0,1,0,0,1,0|0,0,1]=3 577 B8R1.11 CC1=C(N=CN1)CO Z173808378 [0,1,0,0,1,0|0,0,1]=3 578 B8R1.11 CC1=C(N=CO1)C=O Z1198279989 [0,1,0,0,1,0|1,0,1]=4 579 B8R1.11 CC1=C(N=CS1)C=O Z1198279987 [0,1,0,0,1,0|1,0,1]=4 580 B8R1.11 CC1=C(N=CS1)CN Z317098554 [0,1,0,0,1,0|1,0,0]=3 581 B8R1.11 CC1=C(N=CS1)CO Z1198176703 [0,1,0,0,1,0|1,0,0]=3 582 B8R1.11 CC1=C(NC=N1)C=O Z2686040987 [0,1,0,0,1,0|0,0,2]=4 583 B8R1.11 CC1=C(NN=C1)CN Z2865543087 [0,1,0,0,1,0|1,0,1]=4 584 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,1,0,0,1,0|1,0,1]=4 585 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,1,0,0,1,0|1,0,0]=3 586 B8R1.11 CC1=C(OC=N1)C#N Z1255488418 [0,1,0,0,1,0|1,0,1]=4 587 B8R1.11 CC1=C(OC=N1)C=O Z1198279990 [0,1,0,0,1,0|1,0,1]=4 588 B8R1.11 CC1=C(OC=N1)CN Z2939254026 [0,1,0,0,1,0|1,0,0]=3 589 B8R1.11 CC1=C(OC=N1)CO Z1198166472 [0,1,0,0,1,0|1,0,0]=3 590 B8R1.11 CC1=C(SC=C1)C#N Z381355194 [0,1,0,0,1,0|1,0,1]=4 591 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,1,0,0,1,0|1,0,1]=4 592 B8R1.11 CC1=C(SC=C1)CN Z235352157 [0,1,0,0,1,0|1,0,0]=3 593 B8R1.11 CC1=C(SC=N1)C=O Z1079442366 [0,1,0,0,1,0|1,0,1]=4 594 B8R1.11 CC1=C(SC=N1)CN Z291234254 [0,1,0,0,1,0|1,0,0]=3 595 B8R1.11 CC1=C(SC=N1)CO Z397587526 [0,1,0,0,1,0|1,0,0]=3 596 B8R1.11 CC1=CNN=C1C=O Z2418414008 [0,1,0,0,1,0|1,0,1]=4 597 B8R1.11 CC1=CNN=C1CO Z1898597737 [0,1,0,0,1,0|1,0,0]=3 598 B8R1.11 CC1=COC=C1CN Z5616265876 [0,1,0,0,1,0|2,0,0]=4 599 B8R1.11 CC1=CON=C1C=O Z1198279956 [0,1,0,0,1,0|1,0,1]=4 600 B8R1.11 CC1=CSC=C1CN Z1345189827 [0,1,0,0,1,0|2,0,0]=4 601 B8R1.11 CC1=CSN=C1C=O Z1198279979 [0,1,0,0,1,0|1,0,1]=4 602 B8R1.11 CC1=NC=CN1C#N Z1198314041 [0,1,0,0,1,0|1,0,1]=4 603 B8R1.11 CC1=NNC=C1C=O Z319610836 [0,1,0,0,1,0|1,0,1]=4 604 B8R1.11 CC1=NOC=C1C=O Z1198279977 [0,1,0,0,1,0|1,0,1]=4 605 B8R1.11 CC1=NON=C1CN Z1269638429 [0,1,0,0,1,0|1,0,0]=3 606 B8R1.11 CC1=NON=C1CO Z1188433422 [0,1,0,0,1,0|1,0,0]=3 607 B8R1.11 CC1=NSC=C1C=O Z1198279895 [0,1,0,0,1,0|1,0,1]=4 608 B8R1.11 CCC1=CNN=C1N Z1741979116 [0,1,0,0,1,0|2,0,0]=4 609 B8R1.11 CCC1=NN=CN1C Z992282430 [0,1,0,0,1,0|2,0,0]=4 610 B8R1.11 CCC1=NON=C1N Z359374178 [0,1,0,0,1,0|2,0,0]=4 611 B8R1.11 CCC1=NSC=C1N Z5711193458 [0,1,0,0,1,0|2,0,0]=4 612 B8R1.11 CCN1C=CN=C1N Z594268182 [0,1,0,0,1,0|2,0,0]=4 613 B8R1.11 CCN1C=CN=C1S Z220434788 [0,1,0,0,1,0|2,0,0]=4 614 B8R1.11 CCN1C=NN=C1C Z992282678 [0,1,0,0,1,0|2,0,0]=4 615 B8R1.11 CCN1N=CC=C1N Z56347291 [0,1,0,0,1,0|2,0,0]=4 616 B8R1.11 CN1C=CC=C1CN Z362827744 [0,1,0,0,1,0|2,0,0]=4 617 B8R1.11 CN1C=CN=C1C#N Z1116403969 [0,1,0,0,1,0|1,0,1]=4 618 B8R1.11 CN1C=CN=C1C=O Z363989438 [0,1,0,0,1,0|1,0,1]=4 619 B8R1.11 CN1C=CN=C1CCl Z90122361 [0,1,0,0,1,0|1,0,0]=3 620 B8R1.11 CN1C=CN=C1CN Z235536854 [0,1,0,0,1,0|1,0,0]=3 621 B8R1.11 CN1C=CN=C1CO Z212169576 [0,1,0,0,1,0|1,0,0]=3 622 B8R1.11 CN1C=NN=C1CN Z317027588 [0,1,0,0,1,0|2,0,0]=4 623 B8R1.11 CN1N=CC=C1C=O Z325191230 [0,1,0,0,1,0|1,0,1]=4 624 B8R1.11 CN1N=CC=C1CN Z316122740 [0,1,0,0,1,0|1,0,0]=3 625 B8R1.11 CN1N=CC=C1CO Z501748978 [0,1,0,0,1,0|1,0,0]=3 626 B8R1.11 CN1N=CN=C1CO Z2786104722 [0,1,0,0,1,0|1,0,0]=3 627 B8R1.11 CN1N=NC=C1CN Z2111525634 [0,1,0,0,1,0|2,0,0]=4 628 B8R1.11 CN1N=NC=C1CO Z1251355468 [0,1,0,0,1,0|2,0,0]=4 629 B8R1.11 CN1N=NN=C1CO Z1504687526 [0,1,0,0,1,0|2,0,0]=4 630 B8R1.11 CNC1=CC=NN1C Z1259162018 [0,1,0,0,1,0|1,0,0]=3 631 B8R1.11 CNC1=NN=NN1C Z1095338548 [0,1,0,0,1,0|2,0,0]=4 632 B8R1.11 COC1=NNC=C1C Z2943419549 [0,1,0,0,1,0|1,0,0]=3 633 B8R1.11 COC1=NSC=C1N Z2768512024 [0,1,0,0,1,0|2,0,0]=4 634 B8R1.11 CSC1=CNN=C1N Z802600050 [0,1,0,0,1,0|2,0,0]=4 635 B8R1.11 CSC1=NC=CN1C Z18499760 [0,1,0,0,1,0|1,0,0]=3 636 B8R1.11 NCC1=C(C=CS1)Cl Z3244521023 [0,1,0,0,1,0|2,0,0]=4 637 B8R1.11 NCC1=C(SC=C1)Cl Z4459561724 [0,1,0,0,1,0|2,0,0]=4 638 B8R1.11 NCC1=C(SC=C1)I Z4912253513 [0,1,0,0,1,0|2,0,0]=4 639 B8R1.18 CC1=C(NC(=N1)N)C Z2418413556 [0,1,0,0,1,0|0,0,1]=3 640 B8R1.18 CC1=C(NC(=N1)S)C Z1198163261 [0,1,0,0,1,0|0,0,1]=3 641 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,0,1,0|0,0,2]=4 642 B8R1.18 CC1=C(OC(=N1)N)C Z85932429 [0,1,0,0,1,0|1,0,0]=3 643 B8R1.18 CC1=C(OC(=N1)S)C Z234904536 [0,1,0,0,1,0|1,0,0]=3 644 B8R1.18 CC1=C(SC(=N1)Cl)C Z1037582644 [0,1,0,0,1,0|1,0,0]=3 645 B8R1.18 CC1=C(SC(=N1)N)Br Z3235015630 [0,1,0,0,1,0|2,0,0]=4 646 B8R1.18 CC1=C(SC(=N1)N)C Z48847528 [0,1,0,0,1,0|1,0,0]=3 647 B8R1.18 CC1=C(SC(=N1)S)C Z1198148053 [0,1,0,0,1,0|1,0,0]=3 648 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,0,1,0|1,0,1]=4 649 B8R1.18 CC1=CC(=C(S1)Br)C Z1255397918 [0,1,0,0,1,0|2,0,0]=4 650 B8R1.18 CC1=CC(=C(S1)C)Br Z1198655269 [0,1,0,0,1,0|2,0,0]=4 651 B8R1.18 CC1=CC(=C(S1)C)I Z1347205942 [0,1,0,0,1,0|2,0,0]=4 652 B8R1.18 CC1=CC(=C(S1)C)N Z3013884071 [0,1,0,0,1,0|2,0,0]=4 653 B8R1.18 CC1=CC(=NN1C)C Z1201023055 [0,1,0,0,1,0|1,0,0]=3 654 B8R1.18 CC1=CC(=NN1C)N Z995041200 [0,1,0,0,1,0|1,0,0]=3 655 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,0,1,0|1,0,1]=4 656 B8R1.18 CC1=NC(=C(N1)C)C Z2785909774 [0,1,0,0,1,0|0,0,1]=3 657 B8R1.18 CC1=NC(=C(S1)N)C Z951281412 [0,1,0,0,1,0|2,0,0]=4 658 B8R1.18 CC1=NC(=NN1C)N Z1198175662 [0,1,0,0,1,0|1,0,0]=3 659 B8R1.18 CC1=NN(C(=C1)N)C Z55423092 [0,1,0,0,1,0|2,0,0]=4 660 B8R1.18 CC1=NN(C(=N1)N)C Z56757682 [0,1,0,0,1,0|2,0,0]=4 661 B8R1.18 CC1=NN(C=C1Br)C Z2235790808 [0,1,0,0,1,0|2,0,0]=4 662 B8R1.18 CC1=NN(C=C1N)C Z1742055027 [0,1,0,0,1,0|2,0,0]=4 663 B8R1.18 CC1=NN(C=C1O)C Z4131782830 [0,1,0,0,1,0|2,0,0]=4 664 B8R1.18 CN1C=C(N=C1N)O Z104500556 [0,1,0,0,1,0|2,0,0]=4 665 B8R1.50 CC1=C(C(=NO1)N)C Z1198162059 [0,1,0,0,1,0|2,0,0]=4 666 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [0,1,0,0,1,0|1,0,1]=4 667 B8R1.50 CC1=C(C=NN1C)Br Z1198224382 [0,1,0,0,1,0|1,0,0]=3 668 B8R1.50 CC1=C(C=NN1C)I Z1269221703 [0,1,0,0,1,0|1,0,0]=3 669 B8R1.50 CC1=C(C=NN1C)N Z235263805 [0,1,0,0,1,0|1,0,0]=3 670 B8R1.50 CC1=C(N(C=N1)C)N Z951327034 [0,1,0,0,1,0|1,0,1]=4 671 B8R1.50 CC1=C(N(N=C1)C)N Z2106610991 [0,1,0,0,1,0|2,0,0]=4 672 B8R1.50 CC1=C(N=NN1C)N Z2326994790 [0,1,0,0,1,0|2,0,0]=4 673 B8R1.50 CC1=C(NN=C1N)N Z2177031148 [0,1,0,0,1,0|2,0,0]=4 674 B8R1.50 CC1=C(SC=C1Br)Br Z1269129060 [0,1,0,0,1,0|2,0,0]=4 675 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,1,0,0,1,0|0,0,1]=3 676 B8R1.50 CC1=NC=C(N1C)Br Z1201623659 [0,1,0,0,1,0|1,0,0]=3 677 B8R1.50 CC1=NC=C(N1C)N Z2310678658 [0,1,0,0,1,0|1,0,0]=3 678 B8R1.50 CC1=NN=C(N1C)N Z1688198430 [0,1,0,0,1,0|2,0,0]=4 679 B8R1.50 CC1=NN=C(N1C)S Z56943709 [0,1,0,0,1,0|2,0,0]=4 680 B8R1.50 CC1=NNC(=C1Br)C Z275169976 [0,1,0,0,1,0|2,0,0]=4 681 B8R1.50 CC1=NNC(=C1Br)N Z56769169 [0,1,0,0,1,0|2,0,0]=4 682 B8R1.50 CC1=NNC(=C1C)C Z50145985 [0,1,0,0,1,0|1,0,0]=3 683 B8R1.50 CC1=NNC(=C1C)N Z385386488 [0,1,0,0,1,0|1,0,0]=3 684 B8R1.50 CC1=NNC(=C1Cl)C Z3020185376 [0,1,0,0,1,0|2,0,0]=4 685 B8R1.50 CC1=NNC(=C1N)C Z56761496 [0,1,0,0,1,0|2,0,0]=4 686 B8R1.50 CC1=NNC(=C1O)C Z1255485863 [0,1,0,0,1,0|2,0,0]=4 687 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,0,1,0|2,0,0]=4 688 B8R1.50 CC1=NOC(=C1Br)C Z372796498 [0,1,0,0,1,0|2,0,0]=4 689 B8R1.50 CC1=NSC(=C1Cl)N Z1198261559 [0,1,0,0,1,0|2,0,0]=4 690 B8R1.50 CC1=NSC(=C1I)C Z1783198803 [0,1,0,0,1,0|2,0,0]=4 691 B8R1.50 CC1=NSC(=C1N)Br Z4607122944 [0,1,0,0,1,0|2,0,0]=4 692 B8R1.50 CN1N=CC(=C1N)Br Z2238829052 [0,1,0,0,1,0|2,0,0]=4 693 B8R1.50 CN1N=CC(=C1N)Cl Z4947384299 [0,1,0,0,1,0|2,0,0]=4 694 B8R1.50 CN1N=CC(=C1N)F Z3409960609 [0,1,0,0,1,0|2,0,0]=4 695 B8R1.50 CN1N=CC(=C1N)I Z1397931305 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.2 CC1=C(C(=CC=C1)C=O)C Z147641438 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.2 CC1=C(C(=NC=C1)C#N)C Z1255436361 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.2 CC1=C(C(=NC=C1)CN)F Z3210504234 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.2 CC1=C(C(=NC=N1)CO)C Z3337288172 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.2 CC1=C(C=CC=C1Br)CO Z1263881346 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.2 CC1=C(C=CC=C1Cl)CN Z1198307715 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.2 CC1=C(C=CC=C1Cl)CO Z1198223504 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.2 CC1=C(C=CC=C1F)CN Z1198307705 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.2 CC1=C(C=CC=C1I)CO Z1269226759 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.2 CC1=C(C=CC=C1N)CO Z425792776 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.2 CC1=C(C=CC=C1O)CN Z4452492342 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.2 CC1=C(C=CN=C1N)C=O Z1255417974 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.2 CC1=C(N=CC=C1Cl)C=O Z1198173022 [0,2,0,0,0,0|1,0,1]=4 709 B10R1.2 CC1=C(N=CC=C1Cl)CN Z4500645661 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.2 CC1=C(N=CC=C1N)CO Z1198331072 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.2 CCC1=C(C(=CC=C1)O)C Z1255437459 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.2 CNC1=C(C(=CC=C1)C)C Z752370992 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.2 CNC1=C(C(=CC=C1)Cl)C Z3013892307 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.2 CNC1=C(C(=CC=C1)F)C Z4386334733 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.2 CNC1=C(C(=CC=N1)Br)F Z5349335476 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.2 CNC1=C(C(=CC=N1)C)N Z1203638672 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.2 COC1=C(C(=CC=C1)I)C Z1269190043 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.2 COC1=C(C(=NC=N1)N)C Z1203653028 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.2 CSC1=C(C(=CC=C1)N)C Z1080528870 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.2 NCC1=C(C(=CC=N1)Cl)F Z5909335662 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.2 NCC1=C(C(=CC=N1)O)O Z4613630127 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.2 OCC1=C(C(=CC=N1)Cl)Cl Z1198307654 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.22 CC1=C(C(=CC(=C1)N)O)C Z1203582300 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.22 CC1=C(C(=NC(=N1)Cl)Cl)C Z1255361377 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.22 CC1=C(C(=O)NC(=N1)S)C Z1603778708 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.22 CC1=CC(=C(C(=C1)C)C)O Z147642480 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.22 CC1=CC(=NC(=C1N)C)C Z235348157 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.22 CC1=CC(=O)C(=C(N1)C)C Z2218555527 [0,2,0,0,0,0|1,0,1]=4 729 B10R1.22 CC1=NC(=C(C(=C1)Cl)C)Cl Z1198316718 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.22 CC1=NC(=C(C(=C1)N)N)C Z1203583402 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.22 CC1=NC(=C(C(=C1)O)N)C Z1203581617 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl Z727721514 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.22 CC1=NC(=C(C(=N1)C)C)O Z1262691682 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.22 CC1=NC(=CC(=C1Br)C)N Z1269172842 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.22 CC1=NC(=NC(=C1C)C)S Z56915976 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.119 CC1=C(C(=C(C=C1)C)O)C Z104479158 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)C Z1868316894 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.119 CC1=C(C(=C(C=C1)N)Cl)C Z1262627995 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.119 CC1=C(C(=C(C=C1)O)Cl)C Z1198174836 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.119 CC1=C(C(=C(C=C1)O)O)C Z1513805453 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.119 CC1=C(C(=C(C=N1)Br)N)Br Z1269139560 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.119 CC1=C(C(=C(C=N1)Cl)N)Cl Z56756146 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.119 CC1=C(C(=C(C=N1)N)C)Br Z1269222208 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.119 CC1=C(C(=C(N=C1)C)C)N Z2310717132 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.119 CC1=C(C(=C(N=C1)C)O)C Z4984123266 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.119 CC1=C(C(=C(N=N1)Cl)C)C Z1267672116 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.119 CC1=C(C(=O)C=CC1=O)C Z1198157405 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.245 CC1=C(C(=CC=C1)Br)CN Z5528425344 [0,2,0,0,0,0|2,0,0]=4 749 B10R1.245 CC1=C(C(=CC=C1)Br)CO Z1269136839 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.245 CC1=C(C(=CC=C1)Cl)CN Z1198307714 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.245 CC1=C(C(=CC=C1)Cl)CO Z1198166613 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.245 CC1=C(C(=CC=C1)F)CN Z600584282 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.245 CC1=CC=CC(=C1CN)C Z1198728420 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.245 CC1=NC=CC(=C1C=O)C Z1198311053 [0,2,0,0,0,0|1,0,1]=4 755 B10R1.245 CC1=NC=CC(=C1CN)C Z4873736570 [0,2,0,0,0,0|1,0,0]=3 756 B10R1.245 CC1=NC=CC(=C1CO)C Z1255444936 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.4 CC1=C(C=CC=N1)CC#N Z1198263560 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.4 CC1=C(N=CC=N1)CCO Z1198163945 [0,2,0,0,0,0|0,0,0]=2 764 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [0,2,0,0,0,0|1,0,0]=3 765 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.4 N#CCC1=C(N=CC=C1)Cl Z1198263561 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.4 N#CCC1=C(N=CC=N1)Cl Z1255498354 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.20 CCC1=C(C=CC=C1)CN Z979776472 [0,2,0,0,0,0|2,0,0]=4 777 B10R1.20 CCC1=C(C=CC=C1)NC Z335279298 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.20 CCC1=C(C=CC=N1)C=O Z3241890674 [0,2,0,0,0,0|1,0,1]=4 779 B10R1.20 CCC1=C(N=CC=C1)C#N Z1198166295 [0,2,0,0,0,0|1,0,1]=4 780 B10R1.20 CCC1=C(N=CC=C1)C=O Z1255375872 [0,2,0,0,0,0|1,0,1]=4 781 B10R1.20 CNC1=C(C=CC=C1)CN Z4928209572 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.20 CNC1=C(C=CC=C1)SC Z1082871500 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.20 CNC1=C(C=CC=N1)C#N Z86242656 [0,2,0,0,0,0|1,0,1]=4 784 B10R1.20 CNC1=C(C=CC=N1)C=O Z1198166160 [0,2,0,0,0,0|1,0,1]=4 785 B10R1.20 CNC1=C(C=CC=N1)CN Z4763824006 [0,2,0,0,0,0|1,0,0]=3 786 B10R1.20 CNC1=C(N=CC=C1)C#N Z1255418794 [0,2,0,0,0,0|1,0,1]=4 787 B10R1.20 CNC1=C(N=CC=C1)OC Z1082871982 [0,2,0,0,0,0|1,0,0]=3 788 B10R1.20 CNC1=C(N=CC=N1)C#N Z995018658 [0,2,0,0,0,0|0,0,1]=3 789 B10R1.20 COC1=C(C=CC=C1)CN Z57102476 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.20 COC1=C(C=CC=C1)CO Z104479146 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.20 COC1=C(C=CC=C1)OC Z53833941 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.20 COC1=C(C=CC=N1)C#N Z31131631 [0,2,0,0,0,0|1,0,1]=4 793 B10R1.20 COC1=C(C=CC=N1)C=O Z1079442776 [0,2,0,0,0,0|1,0,1]=4 794 B10R1.20 COC1=C(C=CC=N1)CO Z800297974 [0,2,0,0,0,0|1,0,0]=3 795 B10R1.20 COC1=C(N=CC=C1)C=O Z1198165843 [0,2,0,0,0,0|1,0,1]=4 796 B10R1.20 COC1=C(N=CC=N1)C=O Z1198266659 [0,2,0,0,0,0|0,0,1]=3 797 B10R1.20 COC1=C(N=CC=N1)CO Z1661095795 [0,2,0,0,0,0|0,0,0]=2 798 B10R1.20 CSC1=C(C=CC=C1)CN Z4617552846 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.20 CSC1=C(C=CC=C1)CO Z1157829842 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.20 CSC1=C(C=CC=N1)CO Z1198184816 [0,2,0,0,0,0|1,0,0]=3 801 B10R1.20 CSC1=C(N=CC=C1)C#N Z1216838155 [0,2,0,0,0,0|1,0,1]=4 802 B10R1.20 CSC1=C(N=CC=N1)C#N Z995023946 [0,2,0,0,0,0|0,0,1]=3 803 B10R1.20 NCC1=C(C=CC=C1)CO Z336080860 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.25 CC1=C(C=CC(=C1)Br)CN Z1266854915 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.25 CC1=C(C=CC(=C1)Br)CO Z444299166 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.25 CC1=C(C=CC(=C1)Cl)CN Z4862693322 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.25 CC1=C(C=CC(=C1)F)CN Z4450359823 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.25 CC1=C(C=CC(=C1)F)CO Z959356974 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.25 CC1=C(C=CC(=C1)N)CN Z2574928353 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.25 CC1=C(C=CC(=N1)Cl)CO Z1255459281 [0,2,0,0,0,0|1,0,0]=3 811 B10R1.25 CC1=C(C=CC(=N1)N)C#N Z1203578828 [0,2,0,0,0,0|1,0,1]=4 812 B10R1.25 CC1=C(C=CC(=N1)O)C#N Z1198261701 [0,2,0,0,0,0|1,0,1]=4 813 B10R1.25 CC1=C(N=CC(=C1)Br)C#N Z1255391870 [0,2,0,0,0,0|1,0,1]=4 814 B10R1.25 CC1=C(N=CC(=C1)Br)C=O Z1269148473 [0,2,0,0,0,0|1,0,1]=4 815 B10R1.25 CC1=C(N=CC(=C1)Br)CO Z1269233464 [0,2,0,0,0,0|1,0,0]=3 816 B10R1.25 CC1=C(N=NC(=C1)Cl)CCl Z1255366871 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.25 CC1=CC(=C(C=C1)CN)C Z239626330 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.25 CC1=CC(=C(C=C1)CO)C Z335244716 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.25 CC1=CC(=C(N=C1)C#N)C Z1255450782 [0,2,0,0,0,0|1,0,1]=4 820 B10R1.25 CC1=CC(=C(N=C1)C=O)C Z1198234199 [0,2,0,0,0,0|1,0,1]=4 821 B10R1.25 CC1=NC(=C(C=C1)C=O)C Z1079442778 [0,2,0,0,0,0|1,0,1]=4 822 B10R1.25 CC1=NC(=C(N=C1)C=O)C Z1255418740 [0,2,0,0,0,0|0,0,1]=3 823 B10R1.25 CCC1=C(N=C(C=C1)C)N Z1201619216 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.25 CNC1=C(C=C(C=C1)Br)C Z335260018 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.25 CNC1=C(C=C(C=C1)C)C Z335249338 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.25 CNC1=C(C=C(C=C1)N)C Z385462228 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.25 CNC1=C(C=C(C=C1)O)C Z2740415969 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.25 CNC1=C(C=C(C=N1)Br)N Z784893422 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.25 CNC1=C(C=C(C=N1)Cl)Cl Z54160747 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.25 CNC1=C(C=C(C=N1)F)F Z1982493995 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [0,2,0,0,0,0|2,0,0]=4 832 B10R1.25 COC1=C(C=C(C=N1)Br)Cl Z1269109728 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.25 COC1=C(C=C(C=N1)Cl)Br Z1269201911 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.25 COC1=C(N=C(C=C1)C)N Z955136104 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.25 CSC1=C(C=C(C=C1)O)C Z277164168 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.25 ClC1=NC(=C(N=C1)CBr)Cl Z1486028094 [0,2,0,0,0,0|1,0,0]=3 837 B10R1.25 NCC1=C(C=C(C=N1)Br)Br Z5397731055 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.25 NCC1=C(C=C(C=N1)Br)Cl Z3156155354 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.25 NCC1=C(C=C(C=N1)Br)F Z1269124213 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.25 NCC1=C(N=C(C=N1)Cl)Cl Z2568737584 [0,2,0,0,0,0|1,0,0]=3 841 B10R1.25 OCC1=C(C=C(C=N1)Br)Cl Z1269197410 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.25 OCC1=C(C=C(C=N1)Br)F Z1269230082 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.25 OCC1=C(C=C(C=N1)Cl)Cl Z3282214174 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.30 C#CC1=C(N=CC(=C1)N)C Z1203586556 [0,2,0,0,0,0|1,0,1]=4 845 B10R1.30 CC1=C(C=C(C=C1)Br)CO Z1259109160 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.30 CC1=C(C=C(C=C1)Cl)CN Z1741963038 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.30 CC1=C(C=C(C=C1)N)CN Z2574928294 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.30 CC1=C(C=C(C=C1)N)CO Z1203578809 [0,2,0,0,0,0|2,0,0]=4 849 B10R1.30 CC1=C(C=C(C=C1)O)CN Z2672012535 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.30 CC1=C(N=C(C=C1)Br)C#N Z1263715797 [0,2,0,0,0,0|1,0,1]=4 851 B10R1.30 CC1=C(N=C(C=C1)Cl)C#N Z1255500696 [0,2,0,0,0,0|1,0,1]=4 852 B10R1.30 CC1=C(N=C(C=C1)N)C#N Z1198176017 [0,2,0,0,0,0|1,0,1]=4 853 B10R1.30 CC1=C(NC(=O)C=C1)CN Z4743747122 [0,2,0,0,0,0|1,0,1]=4 854 B10R1.30 CC1=NC(=C(C=C1)Br)CN Z5405244890 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.30 CC1=NC(=C(C=C1)Cl)CN Z4481990655 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.30 CC1=NC(=C(C=C1)O)CN Z3476873846 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.30 CC1=NC(=C(C=C1)O)CO Z1104852895 [0,2,0,0,0,0|2,0,0]=4 858 B10R1.30 CC1=NC(=C(N=C1)Cl)C#N Z1551942864 [0,2,0,0,0,0|1,0,1]=4 859 B10R1.30 CC1=NN=C(C(=C1)CO)C Z1504687332 [0,2,0,0,0,0|2,0,0]=4 860 B10R1.30 CCC1=C(C=CC(=C1)Br)C Z1813137877 [0,2,0,0,0,0|2,0,0]=4 861 B10R1.30 CCC1=C(C=CC(=N1)C)O Z1741975119 [0,2,0,0,0,0|2,0,0]=4 862 B10R1.30 CCC1=C(N=CC(=C1)Cl)N Z1197892627 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.30 CCC1=C(N=CC(=C1)N)C Z3033333120 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.30 CNC1=C(C=CC(=C1)C)C Z752370986 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.30 CNC1=C(C=CC(=C1)Cl)C Z335247946 [0,2,0,0,0,0|2,0,0]=4 866 B10R1.30 COC1=C(C=CC(=N1)C)O Z1255397596 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.30 COC1=C(C=CC(=N1)N)Br Z1269195904 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.30 COC1=C(N=CC(=C1)Br)C Z1269222409 [0,2,0,0,0,0|1,0,0]=3 869 B10R1.30 COC1=C(N=CC(=C1)Br)N Z1269156807 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.30 CSC1=C(C=CC(=C1)N)C Z992937584 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.30 CSC1=C(C=NC(=N1)Cl)C Z1302432091 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.30 N#CC1=C(N=CC(=N1)Cl)Cl Z1386995279 [0,2,0,0,0,0|1,0,1]=4 873 B10R1.30 N#CC1=C(N=CC(=N1)F)F Z1469138425 [0,2,0,0,0,0|1,0,1]=4 874 B10R1.30 NC1=C(C=C(C=N1)Br)CO Z1741973231 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.30 NC1=C(N=C(C=N1)Br)C=O Z1269237769 [0,2,0,0,0,0|1,0,1]=4 876 B10R1.30 NC1=NC(=C(C=C1)Cl)CO Z1033293016 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.30 NCC1=C(N=CC(=C1)Br)N Z4937209749 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.30 NCC1=C(N=CC(=C1)Br)O Z3401075126 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.30 NCC1=C(N=CC(=C1)Cl)N Z5028534470 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.30 OCC1=C(C=CC(=N1)Cl)Cl Z995162582 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.61 CC(=O)C1=C(N=CC=C1)Br Z1269140470 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl Z1154360549 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.61 CC(=O)C1=C(N=CC=N1)Cl Z1198277886 [0,2,0,0,0,0|1,0,0]=3 885 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.61 CC(C)C1=C(N=CC=N1)Cl Z1255497724 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.61 CC(C)C1=NC=CNC1=O Z1203732938 [0,2,0,0,0,0|1,0,1]=4 889 B10R1.61 CC(N)C1=C(C=CC=N1)Br Z3925841137 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.61 CC(N)C1=C(C=CC=N1)F Z2284396256 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.61 CC1=C(C=CC=N1)C(=O)O Z1276602308 [0,2,0,0,0,0|1,0,1]=4 894 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.61 CC1=C(N=CC=C1)C(=O)O Z976634736 [0,2,0,0,0,0|1,0,1]=4 897 B10R1.61 CC1=C(N=CC=N1)C(=O)O Z1205494130 [0,2,0,0,0,0|0,0,1]=3 898 B10R1.61 CN(C)C1=C(N=CC=C1)N Z1203587145 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.61 C[C@H](N)C1=C(C=CC=N1)F Z1924739255 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.61 FC(F)C1=C(N=CC=N1)Cl Z1813160247 [0,2,0,0,0,0|1,0,0]=3 901 B10R1.61 NC(=O)C1=C(N=CC=N1)Cl Z1198235057 [0,2,0,0,0,0|1,0,1]=4 902 B10R1.61 NC(=O)C1=C(N=CC=N1)N Z1198161815 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.61 NC(=O)C1=C(N=CC=N1)O Z1201619905 [0,2,0,0,0,0|1,0,1]=4 904 B10R1.61 NC1=C(N=CC=N1)C(=O)O Z56818526 [0,2,0,0,0,0|1,0,1]=4 905 B10R1.61 O=C(O)C1=C(N=CC=N1)Br Z1269173189 [0,2,0,0,0,0|1,0,1]=4 906 B10R1.61 O=C(O)C1=C(N=CC=N1)Cl Z1201620959 [0,2,0,0,0,0|1,0,1]=4 907 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)C Z1269150717 [0,2,0,0,0,0|2,0,0]=4 908 B10R1.118 CC1=C(C=C(C(=C1)Cl)Br)C Z1269234570 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)C Z1255425723 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.118 CC1=C(C=C(C(=C1)N)F)C Z1255401182 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.118 CC1=C(C=C(C(=C1)N)N)C Z111874900 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.118 CC1=C(C=C(C(=N1)N)Br)Br Z1269031386 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.118 CC1=C(C=C(C(=N1)N)Cl)Cl Z56886305 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.118 CC1=C(C=C(C(=N1)N)I)Br Z1269185187 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br Z276130164 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.118 CC1=C(N=C(C(=N1)Br)Br)C Z1269143934 [0,2,0,0,0,0|0,0,0]=2 917 B10R1.118 CC1=C(N=C(C(=N1)Cl)Cl)C Z1198725897 [0,2,0,0,0,0|0,0,0]=2 918 B10R1.118 CC1=CC(=C(C=C1Br)C)C Z1250002649 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.118 CC1=CC(=C(C=C1C)C)C Z104473710 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.118 CC1=NC(=C(C=C1Cl)N)C Z4897436475 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.118 CC1=NC(=C(N=C1C)C)C Z1741976694 [0,2,0,0,0,0|0,0,0]=2 922 B10R1.118 CC1=NC(=C(N=C1Cl)C)C Z1267672098 [0,2,0,0,0,0|0,0,0]=2 923 B10R1.118 CC1=NC(=C(N=C1N)C)C Z1203587263 [0,2,0,0,0,0|0,0,0]=2 924 B10R1.118 CC1=NC(=C(NC1=O)C)C Z1255391249 [0,2,0,0,0,0|0,0,1]=3 925 B10R1.118 ClC1=NC(=C(N=C1Cl)Cl)Cl Z1725910697 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.176 CC1=C(C=C(C=C1)C=O)C Z147641440 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.176 CC1=C(C=C(C=N1)C#N)N Z1203587232 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.176 CC1=C(C=CC(=N1)C#N)Br Z1255495365 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.176 CC1=C(C=CC(=N1)C#N)O Z1255468313 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.176 CC1=C(C=CC(=N1)C=O)O Z1255405992 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.176 CC1=C(C=CC(=N1)CN)Br Z4442967682 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.176 CC1=C(N=C(C=C1)C#N)Br Z1198307101 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.176 CC1=C(N=C(C=C1)C#N)C Z1198307112 [0,2,0,0,0,0|1,0,0]=3 934 B10R1.176 CC1=C(N=C(C=C1)C#N)Cl Z1255390084 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.176 CC1=C(N=C(C=C1)C=O)C Z1255398335 [0,2,0,0,0,0|1,0,0]=3 936 B10R1.176 CC1=C(N=C(C=C1)CN)C Z4767745752 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.176 CC1=C(N=CC(=C1)C#N)Cl Z1198218511 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.176 CC1=C(N=CC(=C1)C#N)N Z1201623543 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.176 CC1=C(N=CC(=C1)C=O)C Z1255402338 [0,2,0,0,0,0|1,0,0]=3 940 B10R1.176 CC1=C(N=CC(=C1)C=O)O Z1415926172 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.176 CC1=C(N=CC(=C1)CN)C Z3300709046 [0,2,0,0,0,0|1,0,0]=3 942 B10R1.176 CC1=C(N=CC(=C1)CO)C Z1255392915 [0,2,0,0,0,0|1,0,0]=3 943 B10R1.176 CC1=C(N=NC(=C1)C#N)C Z4189884376 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.176 CC1=C(N=NC(=C1)C=O)C Z4189818847 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.176 CC1=C(N=NC(=C1)CN)C Z5444181393 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.176 CC1=C(N=NC(=C1)CO)C Z4189815936 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.176 COC1=CC(=C(N=C1)C)Br Z1269227186 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.176 COC1=NC(=C(C=C1)N)C Z1198161549 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.176 COC1=NC(=C(C=C1)O)C Z1255447798 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.176 CSC1=NC(=C(N=N1)C)C Z821284212 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.176 CSC1=NC(=O)C(=NN1)C Z90122581 [0,2,0,0,0,0|2,0,0]=4 952 B8R1.1 CC1=CNC(=N1)C=O Z1198166211 [0,0,1,1,0,0|2,0,0]=4 953 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,0,1,1,0,0|2,0,0]=4 954 B8R1.1 CC1=CSC(=N1)C=O Z1037606426 [0,0,1,1,0,0|2,0,0]=4 955 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,0,1,1,0,0|2,0,0]=4 956 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [0,0,1,1,0,0|2,0,0]=4 957 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [0,0,1,1,0,0|2,0,0]=4 958 B8R1.7 N=C(N)C1=NC=CN1 Z1696869971 [0,0,1,1,0,0|2,0,0]=4 959 B8R1.7 N=C(N)C1=NC=CS1 Z1198733885 [0,0,1,1,0,0|2,0,0]=4 960 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [0,1,0,1,0,0|2,0,0]=4 961 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [0,1,0,1,0,0|2,0,0]=4 962 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [0,1,0,1,0,0|2,0,0]=4 963 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [0,1,0,1,0,0|2,0,0]=4 964 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [0,1,0,1,0,0|1,0,0]=3 965 B10R2.7 C1=CC2=C(CNC2)N=C1 Z1741974952 [0,1,0,1,0,0|1,0,0]=3 966 B10R2.7 C1=CC2=C(N1)N=CC=N2 Z1198233190 [0,1,0,1,0,0|0,0,2]=4 967 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [0,1,0,1,0,0|1,0,0]=3 968 B10R2.7 C1=NC2=C(N=C1)NC=N2 Z1198180623 [0,1,0,1,0,0|1,0,1]=4 969 B10R2.7 C1=NC2=C(N=C1)SC=N2 Z2044801495 [0,1,0,1,0,0|1,0,1]=4 970 B10R2.7 C1=NC=NC2=C1CNC2 Z1741974398 [0,1,0,1,0,0|2,0,0]=4 971 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [0,1,0,1,0,0|2,0,0]=4 972 B6R1.2 BrC1=CNC=N1 Z1213725191 [1,0,0,0,1,0|1,0,1]=4 973 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,1,0|0,0,1]=3 974 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,1,0|1,0,0]=3 975 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,1,0|0,0,1]=3 976 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,1,0|1,0,0]=3 977 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,0,1,0|0,0,1]=3 978 B6R1.2 CC1=CNN=C1 Z600419582 [1,0,0,0,1,0|1,0,0]=3 979 B6R1.2 CC1=CNN=N1 Z1255358215 [1,0,0,0,1,0|1,0,1]=4 980 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,0,1,0|1,0,0]=3 981 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,0,1,0|0,0,1]=3 982 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,0,1,0|1,0,0]=3 983 B6R1.2 CC1=NNC=N1 Z939944658 [1,0,0,0,1,0|1,0,0]=3 984 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,1,0|2,0,0]=4 985 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,0,1,0|1,0,0]=3 986 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,0,1,0|1,0,0]=3 987 B6R1.2 CN1C=CN=N1 Z1198221873 [1,0,0,0,1,0|2,0,0]=4 988 B6R1.2 CN1C=NC=N1 Z237493308 [1,0,0,0,1,0|1,0,0]=3 989 B6R1.2 CN1C=NN=C1 Z2216303087 [1,0,0,0,1,0|2,0,0]=4 990 B6R1.2 CN1C=NN=N1 Z1198150919 [1,0,0,0,1,0|2,0,0]=4 991 B6R1.2 ClC1=CNN=C1 Z275169786 [1,0,0,0,1,0|2,0,0]=4 992 B6R1.2 ClC1=NC=NN1 Z56788868 [1,0,0,0,1,0|2,0,0]=4 993 B6R1.2 ClC1=NNC=C1 Z1255493581 [1,0,0,0,1,0|2,0,0]=4 994 B6R1.2 IC1=CNN=C1 Z1203162050 [1,0,0,0,1,0|2,0,0]=4 995 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,1,0|2,0,0]=4 996 B6R1.2 NC1=CC=NS1 Z2568737642 [1,0,0,0,1,0|2,0,0]=4 997 B6R1.2 NC1=CNC=N1 Z3241270014 [1,0,0,0,1,0|1,0,1]=4 998 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,0,1,0|2,0,0]=4 999 B6R1.2 NC1=CSN=C1 Z2467685283 [1,0,0,0,1,0|2,0,0]=4 1000 B6R1.2 NC1=NC=CN1 Z1262237195 [1,0,0,0,1,0|1,0,1]=4 1001 B6R1.2 NC1=NC=CO1 Z939904646 [1,0,0,0,1,0|2,0,0]=4 1002 B6R1.2 NC1=NC=CS1 Z104472798 [1,0,0,0,1,0|2,0,0]=4 1003 B6R1.2 NC1=NC=NS1 Z1827897976 [1,0,0,0,1,0|2,0,0]=4 1004 B6R1.2 NC1=NNC=C1 Z240126818 [1,0,0,0,1,0|2,0,0]=4 1005 B6R1.2 NC1=NON=C1 Z1203638167 [1,0,0,0,1,0|2,0,0]=4 1006 B6R1.2 NC1=NSN=C1 Z2065788230 [1,0,0,0,1,0|2,0,0]=4 1007 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,0,1,0|2,0,0]=4 1008 B6R1.2 OC1=NSN=C1 Z119989398 [1,0,0,0,1,0|2,0,0]=4 1009 B6R1.2 ON1C=CC=N1 Z1198342489 [1,0,0,0,1,0|2,0,0]=4 1010 B6R1.2 SC1=NC=CN1 Z1198723329 [1,0,0,0,1,0|1,0,1]=4 1011 B6R1.2 SC1=NC=NN1 Z56871783 [1,0,0,0,1,0|2,0,0]=4