0 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.41 CN1C=CN=C1C(=N)N 38078 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.41 CN1N=CN=C1C(=O)O 72096 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.41 CN1N=NC=C1C(=O)O 27409 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.41 NC(=O)C1=CN=CN1N P18323 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.7 CC(=O)C1=CN=NS1 66662 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,0,0|1,0,1]=3 28 B8R1.7 CC(C)C1=CC=CO1 81450 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 N=C(N)C1=CC=CS1 C15965 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 N=C(N)C1=NC=CN1 P15305 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 N=C(N)C1=NC=CN1 P19492 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 NC(=O)C1=COC=N1 35847 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 O=C(O)C1=CN=NN1 28556 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.11 C=CC1=NC=CN1C D84862 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.11 CC1=C(C=O)N=CS1 F12255 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.11 CC1=CON=C1C=O W10337 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.11 CC1=CSC=C1C=O P16095 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.11 CN1C=CC=C1CN 88916 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.11 CN1C=CC=C1CO D82110 [1,0,0,0,0,0|0,0,2]=3 57 B8R1.11 CN1C=CN=C1C#N 38081 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.11 CN1C=NC=C1CN Y14872 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.11 CN1N=CC=C1C#N 71861 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.11 CN1N=CC=C1CCl 31784 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.11 CN1N=CC=C1CN AC1023 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.11 CN1N=CN=C1C=O 97733 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.11 CN1N=NC=C1C=O 92411 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.11 O=CC1=C(Br)SC=C1 57105 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.11 O=CC1=C(I)SC=C1 C73596 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.39 CCN1C=CN=C1C(=O)O D86551 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.39 CCN1C=NC=C1C(=O)O F10434 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.39 COC1=C(C(=O)O)SC=C1 W12768 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.39 COC1=CSC=C1C(=O)O 24669 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 73926 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.59 CC(C)C1=NC(I)=CN1C A11413 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.59 CC1=C(C(=O)O)C=C(Br)S1 W11336 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.59 CN1C=C(Br)C=C1C(=O)O 26615 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.59 CN1C=C(Br)N=C1[N+](=O)[O-] 63314 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.59 CN1C=C(F)C=C1C(=O)O 73060 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.59 CN1C=C(N)C=C1C(=O)O 84211 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.59 CN1N=C(Br)C=C1C(=O)O C77500 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.59 CN1N=C(Cl)C=C1C(=O)O 66055 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.65 CN1C=CN=C1S(=O)(=O)F AT12204 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.65 CN1C=NC=C1C(C)(C)C 91617 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.149 COC(=O)C1=C(O)C=CN1 C10734 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.149 COC(=O)C1=CC=CN1N O11841 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.149 COC(=O)C1=CN=CN1N D79019 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.149 COC(=O)C1=CN=NN1C 30682 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.149 COC(=O)C1=CNN=C1C 25283 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.149 COC(=O)C1=CSC=C1Br 27641 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.149 COC(=O)C1=CSC=C1N P17958 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.192 CC1=C(C(=O)O)N(C)C=C1 W18312 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.192 CC1=C(C(=O)O)N(C)C=N1 W10906 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.192 CC1=C(C(=O)O)N(C)N=C1 F21495 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.192 CN1C=C[N+](C)=C1C(=O)[O-] T71025 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.192 CN1N=CC(Br)=C1[N+](=O)[O-] CS1098 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.192 CN1N=CC(N)=C1C(=O)O F53437 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.194 CC(C)C1=NC=C(I)N1C 74938 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.194 CN1C(C(=O)O)=CN=C1O W11944 [0,1,0,0,0,0|2,0,0]=3 113 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,0,0,1,0,0|1,0,0]=2 114 B10R2.32 O[C@H]1CCN2C=CN=C12 D85477 [0,0,0,1,0,0|1,0,2]=4 115 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,0,0,0,0,1|1,0,0]=2 119 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,0,0,0,0,1|2,0,0]=3 123 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,0,0,0,0,1|2,0,0]=3 127 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,0,0,0,0,1|2,0,0]=3 128 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,0,0,0,0,1|2,0,1]=4 137 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,0,0,0,0,1|2,0,1]=4 138 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,0,0,0,0,1|2,0,1]=4 139 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C76767 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,0,0,0,0,1|2,0,1]=4 143 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,0,0,0,0,1|2,0,1]=4 144 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,0,0,0,0,1|2,0,1]=4 146 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,0,0,0,0,1|1,0,2]=4 147 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,0,0,0,0,1|2,0,1]=4 150 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.64 CN1C=CN=C1CC(=O)O AT15755 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.64 CN1N=CC=C1CC(=O)O 78754 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,0,0,0,0,1|1,0,1]=3 167 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,0,0,0,0,1|2,0,0]=3 168 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,0,0,0,0,1|2,0,1]=4 174 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,0,0,0,0,1|2,0,1]=4 175 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,0,0,0,0,1|2,0,1]=4 176 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,0,0,0,0,1|2,0,1]=4 177 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,0,0,0,0,1|2,0,1]=4 178 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,0,0,0,0,1|1,0,2]=4 179 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,0,0,0,0,1|1,0,2]=4 180 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,0,0,0,0,1|1,0,2]=4 181 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.113 CN1CCC=C(C(=O)O)C1 O10419 [0,0,0,0,0,1|1,0,2]=4 185 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,0,0,0,0,1|1,0,1]=3 186 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,0,0,0,0,1|3,0,0]=4 190 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|1,0,0]=3 191 B7R1.1 C=CC1=CC=CS1 C10114 [2,0,0,0,0,0|1,0,1]=4 192 B7R1.1 C=CC1=CN=CN1 D82417 [2,0,0,0,0,0|1,0,1]=4 193 B7R1.1 CSC1=CN=CN1 W17049 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.1 CSC1=NC=CN1 AC1458 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.1 NCC1=CC=CN1 25931 [2,0,0,0,0,0|1,0,1]=4 196 B7R1.1 O=CC1=CC=C[Se]1 T72165 [2,0,0,0,0,0|1,0,0]=3 197 B7R1.1 O=CC1=CC=NS1 62852 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.1 O=CC1=CCC=C1 77835 [2,0,0,0,0,0|1,0,1]=4 199 B7R1.1 O=CC1=CN=CO1 39069 [2,0,0,0,0,0|2,0,0]=4 200 B7R1.1 O=CC1=NOC=C1 P10400 [2,0,0,0,0,0|1,0,1]=4 201 B7R1.4 CC1=C(C)NC=C1 F20873 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.4 CN1C=CN=C1I 23828 [2,0,0,0,0,0|2,0,0]=4 203 B7R1.4 CN1C=CNC1=O F12570 [2,0,0,0,0,0|1,0,0]=3 204 B7R1.4 CN1C=NC=C1N 27441 [2,0,0,0,0,0|2,0,0]=4 205 B7R1.4 CN1C=NC=C1N FD10512 [2,0,0,0,0,0|2,0,0]=4 206 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,1,1,0,0,0|2,0,0]=4 207 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.11 CCC(=O)C1=COC=C1 N14291 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.11 COC(=O)C1=COC=N1 22956 [1,1,0,0,0,0|1,0,1]=4 213 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [1,1,0,0,0,0|1,0,1]=4 229 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.14 CCN1C=NC=C1C=O C73658 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.14 CCN1C=NC=C1C=O S10760 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.14 COC1=C(C=O)OC=C1 65862 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.22 CN1C=C(Br)N=C1C=O W16940 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.22 CSC1=CC(N)=NN1C W11026 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.27 CC1=C(C=O)N(C)C=N1 C15686 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.27 CCC1=C(Br)C=NN1C P19807 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.27 CN1C=NC(I)=C1C=O P10192 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.27 CN1N=CC(Br)=C1C=O 71410 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.27 CN1N=CC(I)=C1C=O W16901 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.33 CN1C=CC=C1CCN 70855 [1,1,0,0,0,0|0,0,1]=3 261 B9R1.33 CN1C=CC=C1CCO F13299 [1,1,0,0,0,0|0,0,1]=3 262 B9R1.33 CN1C=CN=C1CCCl D79294 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.33 CN1C=NC=C1CCN 70377 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.33 CN1C=NC=C1CCO AT15579 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.33 CNCC1=CC=NN1C AT14309 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.132 CC1=CNC(C=O)=C1C 39169 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.132 CC1=NC=C(C=O)N1C C15385 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [1,1,0,0,0,0|0,0,0]=2 269 B9R1.132 CN1C(Br)=CN=C1C=O P17173 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,1,0,0,0,1|1,0,1]=4 271 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 O11001 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,1,0,0,0,1|1,0,0]=3 275 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,1,0,0,0,1|1,0,0]=3 276 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,1,0,0,0,1|1,0,0]=3 277 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,1,0,0,0,1|1,0,0]=3 279 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.156 CC(=O)C1=C(Br)C=NC=C1F 88880 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl FD10663 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,1,0,0,0,1|1,0,0]=3 285 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,1,0,0,0,1|1,0,0]=3 288 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 H10306 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 57354 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 81867 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)Cl 30562 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.156 CC1=CC=NC(N)=C1C(=O)O H10318 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.156 CC1=CN=CC(C)=C1C(N)=O AT11860 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.156 CC1=CN=CC(F)=C1C(=O)O AT23873 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.156 CC1=CN=CC(F)=C1C(=O)O C14362 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 F53540 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,1,0,0,0,1|1,0,0]=3 301 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.159 CN1C(=O)C=CC=C1C(=O)O 26241 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,0,1|1,0,0]=3 313 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,0,0,0,1|1,0,0]=3 320 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,0,1|1,0,0]=3 321 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.167 CC(=O)C1=C(Br)C=NC(Cl)=C1 79385 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,1,0,0,0,1|1,0,0]=3 334 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,1,0,0,0,1|0,0,0]=2 362 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.21 CN1C=C(C(N)=O)C=CC1=O C76234 [0,1,0,0,0,1|1,0,0]=3 368 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 C73010 [0,1,0,0,0,1|1,0,1]=4 383 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.59 COC(=O)C1=C(CBr)C=CS1 37508 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.59 COC(=O)C1=C(CN)OC=C1 A11523 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.178 CC(C)N1N=CC=C1C(=O)O 32801 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.178 O=C(O)C1=CC=CN1C(F)F W16357 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 O11026 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.225 CC1=NN(C)C(C(=O)CBr)=C1 D82633 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.225 COC(=O)C1=C(C)C=C(Br)O1 W11701 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.225 COC(=O)C1=C(C)C=C(Br)S1 AC2449 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.225 COC(=O)C1=C(C)C=C(N)S1 W15346 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.225 COC(=O)C1=CC(Br)=CN1N F51537 [0,2,0,0,0,0|1,0,0]=3 404 B11R1.225 COC(=O)C1=CC(Br)=NN1C C77479 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.225 COC(=O)C1=CC(Cl)=NN1C 66054 [0,2,0,0,0,0|1,0,0]=3 406 B11R1.225 COC(=O)C1=CC(N)=CN1C 84777 [0,2,0,0,0,0|0,0,0]=2 407 B11R1.225 COC(=O)C1=CC(N)=NN1C P18705 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.225 COC(=O)C1=CC(O)=NN1C W11025 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.225 COC(=O)C1=NC(N)=CN1C C73104 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl F30596 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.199 CCOC(=O)C1=CC=CN1N 61488 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.199 CCOC(=O)C1=NC=CN1N F51446 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.865 COC(=O)C1=C(C)C(Br)=CS1 C15441 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.865 COC(=O)C1=CC=C(Br)N1C 90136 [0,2,0,0,0,0|0,0,0]=2 415 B11R1.875 COC(=O)C1=C(C)SC=C1N C71479 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.875 COC(=O)C1=C(N)N=CN1C 82652 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.875 COC(=O)C1=C(O)C=CN1C C71445 [0,2,0,0,0,0|0,0,0]=2 418 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,0,1,1,0,0|2,0,0]=4 419 B9R1.2 CNC1=CC(N)=CC=C1 36494 [0,0,1,1,0,0|1,0,1]=4 420 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,0,1,1,0,0|2,0,0]=4 421 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,1,1,0,0|1,0,1]=4 422 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,0,1,1,0,0|2,0,0]=4 423 B9R1.15 CNC1=CC=CN=C1N 94808 [0,0,1,1,0,0|2,0,0]=4 424 B9R2.3 C1=NN2CCCC2=C1 O11325 [1,0,0,1,0,0|1,0,1]=4 425 B9R2.3 C1=NN2CCNC2=C1 W18662 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,1|2,0,0]=4 427 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,1|2,0,0]=4 428 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,1|1,0,0]=3 429 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,1|1,0,0]=3 430 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,1,0,1|2,0,0]=4 431 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,1,0,1|2,0,0]=4 432 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,1|2,0,0]=4 433 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,1,0,1|2,0,0]=4 434 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,1,0,1|2,0,0]=4 435 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,1,0,1|2,0,0]=4 436 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,1,0,1|2,0,0]=4 437 B11R2.106 O=C1C=CNN2C=CC=C12 37641 [0,1,0,1,0,0|0,0,2]=4 438 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [0,1,0,1,0,0|2,0,0]=4 439 B11R2.106 O=C1CCCC2=CNC=C12 28051 [0,1,0,1,0,0|2,0,0]=4 440 B11R2.106 O=C1CCCN2C=NC=C12 36447 [0,1,0,1,0,0|1,0,0]=3 441 B11R2.106 O=C1CCCN2N=CC=C12 C73751 [0,1,0,1,0,0|1,0,0]=3 442 B11R2.106 O=C1CCSC2=C1C=CS2 W17776 [0,1,0,1,0,0|2,0,0]=4 443 B11R2.106 O=C1NC=CN2C=CC=C12 SC2701 [0,1,0,1,0,0|0,0,2]=4 444 B11R2.106 O=C1NCCC2=C1C=CN2 P17387 [0,1,0,1,0,0|2,0,0]=4 445 B11R2.106 O=C1NCCC2=C1C=CS2 96995 [0,1,0,1,0,0|2,0,0]=4 446 B11R2.106 O=C1NCCC2=C1SC=C2 78515 [0,1,0,1,0,0|2,0,0]=4 447 B11R2.106 O=C1NCCN2C=CC=C12 C90500 [0,1,0,1,0,0|0,0,0]=2 448 B11R2.106 O=C1NCCN2N=CC=C12 N10554 [0,1,0,1,0,0|1,0,0]=3 449 B11R2.106 O=C1OCCC2=C1SC=C2 W19518 [0,1,0,1,0,0|2,0,0]=4 450 B11R2.60 CN1C=CC2=C1CCC2=O P17572 [0,1,0,1,0,0|2,0,0]=4 451 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,0,0,0,0,2|2,0,0]=4 452 B11R1.90 CN1N=CC=C1CCC(=O)O 78549 [0,0,0,0,0,2|2,0,0]=4 453 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,0,0,0,0,2|2,0,0]=4 454 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,0,0,0,0,2|2,0,0]=4 455 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,0,0,0,0,2|2,0,0]=4 456 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,0,0,0,0,2|2,0,0]=4