0 B10R1.20 C#CC1=CC=CN=C1OC C71657 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.20 CNC1=C(C#N)C=CC=C1 C77665 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.20 CNC1=C(CCl)C=CC=C1 D93985 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.20 COC1=C(C#N)C=CN=C1 W19146 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.20 COC1=C(C#N)C=NC=C1 64002 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.20 COC1=C(C#N)N=CN=C1 81453 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.20 COC1=C(CBr)C=NC=C1 79192 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.20 COC1=C(CN)C=CN=C1 C73553 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.20 COC1=C(NN)N=CN=C1 H10178 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.20 COC1=CC=CN=C1CBr O10505 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.20 COC1=CC=CN=C1CCl 60117 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.20 COC1=CN=CN=C1OC H10157 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.20 COC1=NC=CC=C1CN 37576 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.20 COC1=NC=CC=C1NN D84114 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.20 COC1=NC=CN=C1NN C74005 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.20 COC1=NC=CN=C1OC 21131 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [0,0,0,0,0,0|2,1,0]=3 26 B10R1.20 N#CC1=C(CN)C=CC=C1 A51071 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.20 N#CC1=C(NN)C=CC=C1 C10139 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.20 NCC1=C(CN)C=CC=C1 20182 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.15 C#CC1=CC=CN=C1O CS1686 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.15 CC1=C(NN)C=CN=C1 F15970 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 CC1=CC=CN=C1CN C72913 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 CC1=NC=CC=C1CN 72802 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.15 CCC1=CC=CN=C1N 55791 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.15 CNC1=CC=CN=C1N 94808 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 CNC1=NC=CC=C1N 72351 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 COC1=C(I)C=NC=N1 C74109 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 COC1=C(O)C=NC=C1 79066 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 COC1=CNC=NC1=O H10327 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.15 COC1=NC=CC=C1C C73664 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.15 COC1=NC=CN=C1Br 27717 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 COC1=NC=NC=C1N 24306 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 COC1=NC=NC=C1N 36696 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,0,0,0,0,0|2,1,0]=4 68 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,0,0,0,0,0|2,1,0]=4 69 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 NCC1=CC=CN=C1O 55767 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 CL9497 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.37 CCC1=C(C=O)C=CC(Cl)=C1 CK2098 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.37 COC1=C(C#N)C=CC(Br)=N1 D92854 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.37 COC1=C(C#N)C=CC(Cl)=N1 32018 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.37 COC1=C(C#N)N=C(C)C=C1 F50991 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.37 COC1=C(C=O)C=C(I)C=C1 63781 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.37 COC1=C(C=O)C=C(O)C=C1 C74824 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 Y11346 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 Y11347 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.37 COC1=C(C=O)N=C(Br)C=C1 36281 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.37 COC1=C(CBr)C=C(Cl)C=C1 72125 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 D80185 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 71375 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.37 COC1=C(CN)C=C(Br)C=C1 F20543 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 C74800 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 O10127 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12548 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.37 COC1=C(CN)C=C(N)C=C1 O10877 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.37 COC1=C(CN)C=CC(Br)=N1 N10742 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y11170 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 20565 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.37 COC1=C(CO)C=CC(Br)=N1 N10745 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.37 COC1=C(CO)C=CC(O)=C1 C71627 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 W17153 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.37 COC1=C(OC)C=C(N)N=C1 S10461 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.37 COC1=C(OC)N=C(Cl)N=C1 D82899 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.37 COC1=C(SC)C=C(Br)C=C1 F15582 [0,1,0,0,0,0|0,1,0]=2 106 B11R1.37 COC1=C(SC)C=CC(N)=C1 72379 [0,1,0,0,0,0|0,1,0]=2 107 B11R1.37 COC1=CC(Br)=CN=C1C#N F30222 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.37 COC1=CC(Br)=CN=C1C=O 97692 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.37 COC1=CC(Cl)=NC=C1C=O F20646 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.37 COC1=CC(Cl)=NC=C1CO D75692 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.37 COC1=NC=C(Br)C=C1CO P11193 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.37 COC1=NC=C(Cl)C=C1C#N D79770 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.41 CCSC1=C(C=O)C=CC=C1 W12314 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.41 COC1=C(CCN)C=CC=C1 C11486 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.41 COC1=C(CCN)C=CN=C1 F13309 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.41 COC1=C(CCN)C=CN=C1 W19534 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.41 N#CC1=C(CCBr)C=CC=C1 C71089 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 39100 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.53 CN(C)C1=C(CN)C=CC=C1 C16014 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.53 CN(C)C1=C(CO)C=CC=C1 W18685 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.53 COC1=C(B(O)O)C=NC=C1 63100 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.53 COC1=C(C(=N)N)C=CC=C1 71596 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 52750 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 F16921 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 N10418 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10162 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10512 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 C74572 [0,1,0,0,0,0|2,1,0]=4 147 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12201 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.265 CNC1=CC=CC(F)=C1C#N C11601 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.265 COC1=C(Br)C=NC=C1C=O C72172 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.265 COC1=C(C#N)C(Br)=NC=C1 W12870 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.265 COC1=C(C#N)C(C)=NC=C1 64420 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.265 COC1=C(C=O)C(Cl)=NC=C1 F17477 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.265 COC1=C(C=O)C=CN=C1Br D94598 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.265 COC1=C(F)C=CC=C1CO 26176 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.265 COC1=C(OC)C(=O)NN=C1 W11782 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.265 COC1=C(OC)C(Cl)=NC=C1 D83309 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.265 COC1=C(OC)C(Cl)=NN=C1 FD10568 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.265 COC1=CC=CC(I)=C1OC 71532 [0,1,0,0,0,0|0,0,0]=1 159 B11R1.265 COC1=CN=CC(F)=C1C=O 75831 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.265 COC1=NC=CC(Br)=C1C=O C71245 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.265 COC1=NC=CC(Cl)=C1C=O C71046 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.265 COC1=NC=CC(O)=C1OC W10568 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.265 CSC1=C(C#N)C(F)=CC=C1 79515 [0,1,0,0,0,0|2,1,0]=4 164 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|2,0,1]=4 165 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|2,0,1]=4 166 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|2,0,0]=3 167 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,1,0,0|2,0,1]=4 171 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|2,1,0]=4 175 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,0,1,0,0|1,0,1]=3 179 B11R2.20 C1=CC2=C(C=N1)NCCO2 84112 [0,0,0,1,0,0|2,0,0]=3 180 B11R2.20 C1=CC2=C(C=N1)OCCN2 83898 [0,0,0,1,0,0|2,0,0]=3 181 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [0,0,0,1,0,0|2,0,0]=3 183 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [0,0,0,1,0,0|2,0,0]=3 184 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [0,0,0,1,0,0|1,0,0]=2 185 B9R1.14 COC1=C(C=O)OC=C1 65862 [0,0,0,0,1,0|3,0,0]=4 186 B8R1.2 COC1=NC=NC=C1 T72699 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 189 B8R1.5 CC1=C(F)C=CN=C1 F19730 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.5 CC1=C(I)C=CC=N1 F19761 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.5 CC1=C(I)C=NC=C1 C74973 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.5 CC1=CN=CN=C1O 25833 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.5 OC1=C(I)C=CN=C1 25190 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.5 OC1=C(O)C=NC=C1 C14003 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.5 OC1=NC=CN=C1O C74124 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.2 CC1=C(Br)C=CC=C1CBr 54940 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.2 CC1=C(Br)C=CC=C1CN 98269 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.2 CC1=C(C#N)C=CC=C1N 51688 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.2 CC1=C(I)C=CC=C1CBr CL9688 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.2 CC1=C(O)C=CC=C1C#N 26569 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.2 CC1=CC=CC(C#N)=C1O F20100 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.2 CC1=CC=CC(CN)=C1O Y10488 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.2 CC1=CC=CC(CO)=C1O F20046 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.2 CC1=CC=CC(NN)=C1C A11966 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.2 CNC1=CC=CC(Br)=C1N 79197 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.2 COC1=C(Br)C(N)=CC=N1 38420 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.2 COC1=C(C)C(Br)=NC=C1 D83215 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.2 COC1=C(C)C(Cl)=NC=C1 D84336 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.2 COC1=C(C)C(Cl)=NC=N1 H11469 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.2 COC1=C(C)C(N)=CN=C1 N13054 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.2 COC1=C(Cl)C(Cl)=CC=N1 D83251 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.2 COC1=C(Cl)C(Cl)=NC=C1 P17363 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C12073 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.2 COC1=C(F)C(Br)=NC=C1 H11794 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.2 COC1=C(I)C(N)=CC=C1 34421 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.2 COC1=C(N)C(N)=CC=C1 35991 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.2 COC1=C(N)C(N)=CC=C1 Y10418 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.2 COC1=C(O)C(N)=CC=C1 O10656 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.2 COC1=CC=CC(Br)=C1Br CL8946 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.2 COC1=CC=CC(Cl)=C1Br F20980 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.2 COC1=CC=CC(Cl)=C1O O10746 [1,1,0,0,0,0|0,0,0]=2 225 B10R1.2 COC1=CC=CC(F)=C1I 34512 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.2 COC1=CC=CC(I)=C1N S10846 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.2 COC1=CC=CC(I)=C1O 84030 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.2 COC1=CN=CC(Br)=C1C CS1899 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.2 COC1=NC=CC(C)=C1N 34938 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.2 COC1=NC=CC(I)=C1C 96428 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.2 COC1=NC=CC(I)=C1Cl 92374 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.2 COC1=NC=CC(N)=C1N 24240 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.2 CSC1=CC=CC(Cl)=C1C F14681 [1,1,0,0,0,0|0,1,0]=3 235 B10R1.2 N#CC1=CC=CC(F)=C1O 75820 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.2 NCC1=CC=CC(O)=C1O S10740 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.25 CNC1=C(Br)C=C(F)C=C1 71883 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.25 COC1=C(Br)C=C(Cl)N=C1 S10226 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.25 COC1=C(C)N=C(Cl)N=C1 72823 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.25 COC1=C(C)N=C(N)N=C1 FD10682 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.25 COC1=C(Cl)C=C(N)N=C1 37736 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.25 COC1=C(F)C=C(N)C=N1 27254 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.25 COC1=C(I)C=C(Br)C=N1 C75707 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.25 COC1=C(I)C=C(Cl)N=C1 S10146 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.25 COC1=CC=C(C)N=C1I F30133 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.25 COC1=CN=C(Br)C=C1Cl F16734 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.25 COC1=CN=C(Br)C=C1N AC1554 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.25 COC1=CN=C(Br)C=C1O AT23971 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.25 COC1=CN=C(Cl)C=C1N C71879 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.25 COC1=CNC(=O)C=C1Br W15670 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.25 COC1=NC=C(Cl)C=C1N E70381 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.25 COC1=NC=C(F)C=C1C C76918 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.25 COC1=NC=C(F)C=C1N C71761 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.25 COC1=NC=C(F)C=C1O S10276 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [1,1,0,0,0,0|1,1,0]=4 298 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [1,1,0,0,0,0|1,1,0]=4 299 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [1,1,0,0,0,0|1,1,0]=4 300 B10R1.25 N#CC1=C(O)C=C(N)C=C1 S10894 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.25 N#CC1=C(O)C=C(O)C=C1 C76016 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.30 CC1=C(C#N)C=C(I)C=C1 C75444 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 CK2094 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.30 CC1=C(C=O)C=C(I)C=C1 F20710 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.30 CC1=C(CCl)C=C(Cl)C=C1 AT13353 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.30 CC1=C(NN)C=C(Br)C=C1 O10123 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 C75556 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.30 CC1=CC(C#N)=C(O)C=C1 90838 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 W16029 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.30 COC1=C(Br)C=CC(Cl)=N1 88327 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.30 COC1=C(Br)C=NC(C)=C1 N10207 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.30 COC1=C(Br)C=NC(F)=C1 FD10681 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.30 COC1=C(C)C=NC(Cl)=N1 83973 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.30 COC1=C(Cl)C=NC(N)=C1 A10702 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.30 COC1=C(I)C=NC(Cl)=C1 C71858 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.30 COC1=C(I)C=NC(N)=C1 D76350 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.30 COC1=CC(Br)=NC=C1Br 94342 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.30 COC1=CC(Br)=NC=C1C A11960 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.30 COC1=CC(Cl)=NC=C1Cl 26260 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.30 COC1=CC(Cl)=NC=C1N C72019 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.30 COC1=CC(N)=CN=C1Cl 54845 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [1,1,0,0,0,0|0,1,0]=3 343 B10R1.30 N#CC1=C(O)C=CC(O)=C1 C75243 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.30 NCC1=C(O)C=CC(Br)=C1 O10496 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [1,1,0,0,0,0|1,1,0]=4 352 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.245 CC1=CC=CC(Cl)=C1CN Y12256 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.245 CC1=CC=CC(F)=C1CO W16613 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.245 CC1=CC=CC(O)=C1C=O 50507 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.245 CC1=CC=CC(O)=C1CO C74535 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.245 CCC1=C(Br)C=CC=C1Br 86463 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.245 CNC1=C(Br)C=CC=C1N C71480 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.245 CNC1=C(F)C=CC=C1F C77614 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.245 COC1=C(Br)C=CC=C1C F52555 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.245 COC1=C(Br)C=NC=C1N I11194 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.245 COC1=C(Cl)C=CC=C1O 95656 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.245 COC1=C(Cl)C=CN=C1N F51098 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.245 COC1=C(N)C=CC=C1N A12416 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.245 COC1=C(N)C=CN=C1Cl F17572 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.245 [C-]#[N+]C1=C(C)C=CC=C1C S10630 [1,1,0,0,0,0|1,0,1]=4 395 B12R1.46 COC1=C(C(=O)O)C=C(N)C=C1 A12433 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.46 COC1=C(C(=O)O)C=C(O)C=C1 D95032 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 C77115 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.57 COC1=C(C(C)C)C=CC(Br)=C1 D81047 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.57 COC1=C([C@H](C)N)C=CC(F)=C1 Y11779 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O O10302 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.78 C#CC1=C(OC)C=C(C#N)C=C1 50153 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.78 C=CC1=C(OC)C=CC(OC)=C1 F18407 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 Y14613 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 C75755 [0,2,0,0,0,0|0,0,0]=2 405 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 D76548 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.78 COC1=C(C=O)C=C(C#N)C=C1 A51135 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.78 COC1=C(OC)C=C(CO)N=C1 S10719 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.78 COC1=C(OC)C=C(NN)C=C1 77968 [0,2,0,0,0,0|0,0,0]=2 409 B12R1.78 COC1=CC(C=O)=CN=C1OC 72230 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.78 COC1=CC=C(C#N)N=C1OC 50603 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.112 CCOC1=C(C#N)C=C(Br)C=C1 W18844 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.112 CCOC1=NC=C(Br)C=C1OC C71954 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.112 COC1=C(CC#N)C=CC(F)=C1 CK1025 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.234 COC1=C(Br)C=C(F)C=C1C=O S10814 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.234 COC1=C(C=O)C(C)=CC(Br)=C1 97124 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.234 COC1=C(Cl)C=C(Cl)C=C1C=O A12828 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.234 COC1=CC(Cl)=CC(F)=C1C=O C71504 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.234 COC1=CC(Cl)=CC(F)=C1CO D97344 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.234 COC1=CC(F)=CC(F)=C1C#N 85102 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.234 COC1=CC(F)=CC(F)=C1C=O 85101 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.268 CCOC1=C(OC)C=NC(Cl)=N1 D95079 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.268 COC1=C(CC#N)C=C(Cl)C=C1 20766 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.268 COC1=C(CCN)C=C(F)C=C1 I11946 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.448 COC1=C(OC)C=C(N)C(N)=C1 C74439 [0,2,0,0,0,0|0,0,0]=2 425 B12R1.448 COC1=C(OC)C=C(O)C(N)=C1 D80755 [0,2,0,0,0,0|0,0,0]=2 426 B12R1.448 COC1=C(OC)N=C(Br)C(Br)=C1 Y11295 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.448 COC1=C(OC)N=C(Br)C(C)=C1 C76031 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.448 COC1=C(OC)N=C(I)C(Br)=C1 F30855 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.448 COC1=C(OC)N=C(I)C(Cl)=C1 F50961 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.448 COC1=CC(Cl)=C(Cl)C=C1C=O AT16493 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.652 COC1=C(C#N)C(F)=C(Br)C=C1 81972 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.652 COC1=C(C=O)C(Br)=C(F)C=C1 AC1544 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.652 COC1=C(C=O)C(C)=C(Cl)C=C1 P19554 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.652 COC1=C(C=O)C(F)=C(Cl)C=C1 90251 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.652 COC1=C(C=O)C(F)=C(F)C=C1 85106 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.652 COC1=C(C=O)C=CC(Cl)=C1F W17973 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 20662 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 F18015 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.77 C=CC1=C(C(=O)OC)C=CC=C1 F53555 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10282 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10283 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10315 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11966 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11967 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y12173 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.77 CN[C@@H](C)C1=C(OC)C=CC=C1 Y12190 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20930 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 A12272 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y10337 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11070 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11299 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.77 COC1=C([C@@H](O)CN)C=CC=C1 AR2903 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 W10707 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.121 C#CCOC1=C(C=O)C=CC=C1 FD10609 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.121 C=CCOC1=C(CBr)C=CC=C1 AC5886 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.121 O=CC1=C(OCCBr)C=CC=C1 W17985 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 Y10278 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O F13154 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.87 COC1=C(Br)C=CC=C1C(N)=O C76534 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.87 COC1=C(Br)C=CC=C1[C@H](C)O P14982 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F13156 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.261 CC(C)C1=C([C@H](C)N)C=CC=C1 N14721 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.261 C[C@H](N)C1=C(N(C)C)C=CC=C1 Y14571 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.261 C[SiH](C)C1=C([SiH](C)C)C=CC=C1 T70451 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.437 COC1=C(B(O)O)C(C)=CC=C1 C72960 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 C75893 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O O10259 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.437 COC1=CC=CC(Br)=C1C(N)=O C72080 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O 25880 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y11506 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y12981 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y13450 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y13451 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N F14417 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N F14418 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N N12882 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N Y11915 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N Y11916 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.437 COC1=CC=CC(I)=C1C(=O)O 58592 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.437 COC1=CC=CC(I)=C1[N+](=O)[O-] S11058 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.741 COC1=C(I)C=CC(I)=C1OC W11477 [0,2,0,0,0,0|0,0,0]=2 485 B12R1.741 COC1=C(OC)C(=O)C=CC1=O 68433 [0,2,0,0,0,0|0,0,0]=2 486 B12R1.1879 C#CC1=C(OC)C=CC=C1OC D95451 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.1879 CNC1=CC=CC(OC)=C1C#N C11602 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.1879 COC1=CC=CC(OC)=C1CO F12483 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [0,0,1,1,0,0|2,0,0]=4 490 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|2,0,0]=4 491 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|2,0,0]=4 492 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|2,0,0]=4 493 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|2,0,0]=4 494 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|2,0,0]=4 495 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 I11495 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.24 BrC1=CC2=C(C=C1)NCCN2 AT11557 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 25915 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.24 BrC1=CC2=C(C=C1)OCC=C2 Y12222 [0,1,0,1,0,0|1,0,1]=4 499 B12R2.24 BrC1=CN=C2OCCNC2=C1 F30181 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.24 BrC1=CN=C2OCCOC2=C1 F14749 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.24 CC1=CC2=C(C=C1)NCCN2 D78710 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.24 CC1=CC2=C(C=C1)NCCS2 72217 [0,1,0,1,0,0|1,1,0]=4 507 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,1,0,1,0,0|1,0,0]=3 510 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.24 ClC1=CC2=C(C=C1)CCCO2 Y13230 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 27238 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.24 ClC1=CC2=C(C=C1)OCCC2 N11282 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 VT1094 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.24 ClC1=NC2=C(C=C1)OCCN2 84509 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.24 ClC1=NN=C2OCCOC2=C1 O10985 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.24 FC1=CC2=C(C=C1)CCCO2 Y13024 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,1,0,1,0,0|1,0,0]=3 523 B12R2.24 FC1=CC2=C(C=C1)OCCN2 C71739 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.24 IC1=CC2=C(C=C1)OCCC2 32826 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.24 NC1=CC2=C(C=C1)CCCO2 Y13028 [0,1,0,1,0,0|1,0,0]=3 527 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y12467 [0,1,0,1,0,0|1,0,0]=3 528 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y13365 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.24 NC1=CC2=C(C=C1)OCCN2 P16924 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,1,0,1,0,0|1,0,0]=3 531 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,1,0,1,0,0|1,0,0]=3 533 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [0,1,0,1,0,0|1,0,0]=3 536 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P16674 [0,1,0,1,0,0|1,0,0]=3 537 B12R2.24 OC1=CC2=C(C=C1)OCCC2 N12986 [0,1,0,1,0,0|1,0,0]=3 538 B12R2.24 OC1=CC2=C(C=C1)OCCN2 C74348 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 27530 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y14813 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N10934 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 67309 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 Y10223 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.1 OC[C@H]1COC2=C1C=CN=C2 F12475 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.18 CC1=C2C=CC=CC2=NN1C D83537 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.315 BrCC1=C2OCOC2=CC=C1 27400 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.315 COC1=C2CNCC2=CC=C1 36595 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.315 COC1=C2CNCC2=CC=C1 Y13501 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.315 COC1=C2N=CNC2=CC=C1 C74404 [0,1,0,1,0,0|1,0,1]=4 569 B12R2.315 COC1=C2SC=NC2=CC=C1 F13989 [0,1,0,1,0,0|0,1,1]=4 570 B12R2.315 COC1=CC=CC2=C1C=CS2 I11382 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.315 COC1=CC=CC2=C1N=CO2 D83924 [0,1,0,1,0,0|1,0,1]=4 572 B12R2.315 OCC1=C2OCCC2=CC=C1 30245 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.1081 BrC1=C2OCCNC2=CC=C1 69215 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,1,0,1,0,0|1,0,0]=3 579 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,1,0,1,0,0|1,0,0]=3 580 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,1,0,1,0,0|1,0,0]=3 581 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.1081 ClC1=C2NCCOC2=NC=C1 84595 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.1081 ClC1=C2OCCNC2=CC=C1 W10055 [0,1,0,1,0,0|1,0,0]=3 591 B12R2.1081 ClC1=NC=CC2=C1NCCO2 80151 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.1081 ClC1=NC=CC2=C1OCCN2 80149 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.1081 FC1=C2OCCNC2=CC=C1 70451 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 50286 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.2048 COC1=C([C@@H]2CO2)C=CC=C1 P17977 [0,1,0,1,0,0|0,0,0]=2 617 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 C76285 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 AC8269 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.196 C[C@H]1CNC2=C(N)C=CC=C21 P20144 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11159 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11250 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11240 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N16512 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11235 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N16511 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.196 O[C@H]1COC2=C(Br)C=CC=C21 Y10971 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.203 CC1=NOC2=CC=CC(Br)=C21 D83934 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,1,0,0|2,0,0]=4