0 B13R2.5190 CC1=CC2=C(C=C1)C(=O)C(=O)N2 30937 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.5190 CC1=CC2=C(C=C1)N(C)C(N)=N2 RB3387 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.5190 CC1=NC2=C(C=CC(Br)=C2)N1C 51665 [0,0,0,0,0,0|2,1,1]=4 3 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C A11837 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C D72010 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 BL003989 [0,0,0,0,0,0|2,1,0]=3 6 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 28412 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.5190 CN1C(=O)CC2=C1C=CC(O)=C2 72239 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.5190 CN1C(=O)CC2=CC(Br)=CN=C21 88587 [0,0,0,0,0,0|3,1,0]=4 9 B13R2.5190 CN1C(=O)NC2=C1C=CC(Cl)=N2 AC2058 [0,0,0,0,0,0|2,1,0]=3 10 B13R2.5190 CN1C(=O)NC2=CC(Cl)=CN=C21 AC2144 [0,0,0,0,0,0|2,1,0]=3 11 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 C76153 [0,0,0,0,0,0|2,1,0]=3 12 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=CC(Br)=C2 72450 [0,0,0,0,0,0|2,1,0]=3 13 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 C74108 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O 27540 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 27371 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 33909 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 P15438 [1,0,0,0,0,0|2,1,0]=4 22 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 P11525 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 D97288 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.606 CC1=CC2=CC(F)=CN=C2N1 53321 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 W17343 [1,0,0,0,0,0|1,0,1]=3 27 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 C75100 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 C76645 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.606 ClC1=CC2=C(C=C1)N=C(Br)N2 C72550 [1,0,0,0,0,0|1,1,1]=4 30 B12R2.606 ClC1=CC2=C(C=C1)NC(I)=C2 S10265 [1,0,0,0,0,0|2,1,0]=4 31 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 SC1231 [1,0,0,0,0,0|1,1,1]=4 32 B12R2.606 FC1=CC2=C(C=C1)N=C(S)S2 F15019 [1,0,0,0,0,0|1,1,1]=4 33 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 F30138 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.606 FC1=CC2=C(C=C1)SC(Cl)=N2 36148 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)N1 AC8852 [1,0,0,0,0,0|1,1,1]=4 38 B12R2.606 NC1=NC2=C(C=C1)NC(=O)N2 W10179 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 F31179 [1,0,0,0,0,0|1,1,1]=4 40 B12R2.606 NC1=NC2=C(C=CC(F)=C2)N1 AC5851 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 C75402 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [1,0,0,0,0,0|2,1,0]=4 43 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [1,0,0,0,0,0|2,0,0]=3 44 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [1,0,0,0,0,0|1,1,0]=3 45 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [1,0,0,0,0,0|2,1,0]=4 46 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 37498 [1,0,0,0,0,0|2,1,0]=4 47 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 76341 [1,0,0,0,0,0|2,1,0]=4 48 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 83460 [1,0,0,0,0,0|2,1,0]=4 49 B12R2.606 O=C1CC2=C(N=C(F)C=C2)N1 P19241 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 38150 [1,0,0,0,0,0|2,1,0]=4 51 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 27366 [1,0,0,0,0,0|2,1,0]=4 52 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 27626 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 F18613 [1,0,0,0,0,0|2,1,0]=4 54 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 38389 [1,0,0,0,0,0|2,1,0]=4 55 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 39137 [1,0,0,0,0,0|2,1,0]=4 56 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [1,0,0,0,0,0|0,0,0]=1 57 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [1,0,0,0,0,0|0,1,0]=2 58 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [1,0,0,0,0,0|1,1,0]=3 59 B12R2.606 O=C1NC2=C(C=CC(Br)=N2)O1 AC2056 [1,0,0,0,0,0|2,1,0]=4 60 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 SC2141 [1,0,0,0,0,0|1,1,0]=3 62 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.606 OC1=CC2=C(C=C1)N=C(S)N2 W18405 [1,0,0,0,0,0|1,1,1]=4 64 B12R2.606 OC1=NC2=C(C=C(F)C=C2)S1 F15029 [1,0,0,0,0,0|1,0,2]=4 65 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)N1 C10561 [1,0,0,0,0,0|0,2,0]=3 66 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 50641 [1,0,0,0,0,0|2,1,0]=4 67 B12R2.612 CC1=CNC2=C1C=CC(Cl)=C2 82345 [1,0,0,0,0,0|2,1,0]=4 68 B12R2.612 CC1=CNC2=C1C=CC(F)=C2 D97643 [1,0,0,0,0,0|2,0,0]=3 69 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 P11526 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 I11286 [1,0,0,0,0,0|3,0,0]=4 71 B12R2.612 CN1C=CC2=C1C=CC(Cl)=C2 A10102 [1,0,0,0,0,0|2,1,0]=4 72 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 F14443 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 P16034 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.612 FC1=CC2=C(C=C1)C(I)=CN2 98354 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 87979 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.612 FC1=NC2=C(C=C1)C(Br)=CN2 P20337 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.612 FC1=NC2=C(C=C1)C(I)=CN2 27744 [1,0,0,0,0,0|3,0,0]=4 78 B14R2.645 CC1=C(Br)C=C2C(=O)C(=O)NC2=C1 FD13006 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.645 CC1=C(F)C=C2C(=O)C(=O)NC2=C1 D85476 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.645 O=C1NC2=CC(Br)=C(Br)C=C2C1=O C11160 [0,1,0,0,0,0|1,1,1]=4 81 B14R2.645 O=C1NC2=CC(Br)=C(Cl)C=C2C1=O 27367 [0,1,0,0,0,0|1,1,1]=4 82 B14R2.645 O=C1NC2=CC(Br)=C(F)C=C2C1=O 54726 [0,1,0,0,0,0|1,1,1]=4 83 B14R2.645 O=C1NC2=CC(F)=C(Cl)C=C2C1=O N10547 [0,1,0,0,0,0|1,0,1]=3 84 B14R2.1815 COC1=CC2=C(C=C1)N(C)C(=O)N2 C15820 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.4217 CC1=CC2=C(C=C1)[C@H](C=O)C(=O)N2 20314 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.4646 CC1(C)C(=O)NC2=C1C=CC(Br)=C2 85442 [0,1,0,0,0,0|2,1,0]=4 87 B14R2.4646 O=C1NC2=C(C=CC(Br)=C2)C1(F)F 53511 [0,1,0,0,0,0|2,1,0]=4 88 B14R2.8716 CN1C(=O)C(=O)C2=C1C=C(Br)C=C2 82304 [0,1,0,0,0,0|1,1,1]=4 89 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Br)=C2 82171 [0,1,0,0,0,0|2,1,0]=4 90 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Cl)=C2 36604 [0,1,0,0,0,0|2,1,0]=4 91 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(F)=C2 W13837 [0,1,0,0,0,0|1,0,0]=2 92 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(N)=C2 C77632 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.8716 C[C@@H]1C(=O)N(C)C2=C1C=CC(Br)=C2 87613 [0,1,0,0,0,0|2,1,0]=4 94 B14R2.8737 CC1=C(F)C2=C(C=C1)C(=O)C(=O)N2 35704 [0,1,0,0,0,0|2,0,1]=4 95 B14R2.8737 O=C1NC2=C(C=CC(Cl)=C2F)C1=O 53898 [0,1,0,0,0,0|1,1,1]=4 96 B14R2.27750 CC1=C2C(=O)C(=O)NC2=CC(Br)=C1 D80217 [0,1,0,0,0,0|1,1,1]=4 97 B14R2.27750 O=C1NC2=CC(F)=CC(Cl)=C2C1=O SC5081 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,0,1,0,0,0|1,1,1]=4 101 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,0,1,0,0,0|2,0,1]=4 103 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,0,1,0,0,0|2,1,0]=4 104 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 74407 [0,0,1,0,0,0|2,1,0]=4 107 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,0,1,0,0,0|2,1,0]=4 108 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,0,1,0,0,0|2,1,0]=4 109 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)NC1=O 89333 [0,0,0,0,0,1|2,1,0]=4 110 B14R2.8239 C[C@@H]1OC2=C(C=C(Cl)C=C2)NC1=O 77317 [0,0,0,0,0,1|2,1,0]=4 111 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 C16248 [0,0,0,0,0,1|2,0,1]=4 112 B14R2.8239 OC1=C(O)N=C2C=C(F)C=CC2=N1 C91511 [0,0,0,0,0,1|1,0,2]=4 113 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(Br)=C2 C10423 [0,0,0,0,0,1|2,1,0]=4 114 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(N)=C2 31311 [0,0,0,0,0,1|3,0,0]=4 115 B14R2.29365 CC1=CC2=C(C=C1)C(O)=CC(=O)O2 T71996 [0,0,0,0,0,1|3,0,0]=4 116 B14R2.29365 CC1=CC=C2C(O)=CC(=O)NC2=N1 C11430 [0,0,0,0,0,1|3,0,0]=4 117 B14R2.29365 CN1CC(=O)NC2=CC(Br)=CN=C21 97251 [0,0,0,0,0,1|2,1,0]=4 118 B14R2.29365 NC1=CC2=C(C=C1)C(=O)NC(=O)N2 36355 [0,0,0,0,0,1|2,0,1]=4 119 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 D76211 [0,0,0,0,0,1|2,0,0]=3 120 B14R2.29365 O=C1C=C(O)C2=C(C=C(O)C=C2)O1 T70518 [0,0,0,0,0,1|3,0,0]=4 121 B14R2.29365 O=C1NC(=O)C2=C(C=C(Cl)C=C2)N1 57412 [0,0,0,0,0,1|1,1,1]=4 122 B14R2.29365 O=C1NC(=O)C2=C(C=C(F)C=C2)N1 F11030 [0,0,0,0,0,1|1,0,1]=3 123 B14R2.29365 O=C1NC(=O)C2=C(C=C(I)C=C2)N1 F21427 [0,0,0,0,0,1|1,1,1]=4 124 B14R2.29365 O=C1NC(=S)NC2=C1C=CC(F)=C2 D80000 [0,0,0,0,0,1|1,1,1]=4 125 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 P12304 [0,0,0,0,0,1|2,1,0]=4 126 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C76579 [0,0,0,0,0,1|1,1,0]=3 127 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [1,0,1,0,0,0|1,1,0]=4 128 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [1,0,1,0,0,0|2,0,0]=4 131 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,0,1,0,0,0|1,0,0]=3 135 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [1,0,1,0,0,0|1,1,0]=4 136 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [1,0,1,0,0,0|1,1,0]=4 138 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.81 CC1=CC(C)=C(NC=O)C=C1 E70411 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [1,0,1,0,0,0|2,0,0]=4 144 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [2,0,0,0,0,0|2,0,0]=4 145 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [2,0,0,0,0,0|2,0,0]=4 146 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [2,0,0,0,0,0|2,0,0]=4 147 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [2,0,0,0,0,0|2,0,0]=4 148 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [2,0,0,0,0,0|2,0,0]=4 149 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [2,0,0,0,0,0|2,0,0]=4 150 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [2,0,0,0,0,0|2,0,0]=4 151 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [2,0,0,0,0,0|2,0,0]=4 152 B11R2.10 O=C1NC2=C(N=CC=N2)N1 D83988 [2,0,0,0,0,0|2,0,0]=4 153 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [2,0,0,0,0,0|1,0,1]=4 154 B11R2.36 FC1=CC2=C(C=C1)N=CS2 F14497 [2,0,0,0,0,0|1,0,1]=4 155 B11R2.36 FC1=CC2=C(C=C1)NN=N2 O11430 [2,0,0,0,0,0|1,0,1]=4 156 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [2,0,0,0,0,0|2,0,0]=4 157 B11R2.36 FC1=CC2=C(C=C1)SC=N2 C13797 [2,0,0,0,0,0|1,0,1]=4 158 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [2,0,0,0,0,0|2,0,0]=4 159 B11R2.36 FC1=CN=C2C=CNC2=C1 P11534 [2,0,0,0,0,0|2,0,0]=4 160 B11R2.36 FC1=NC=C2NC=CC2=C1 90686 [2,0,0,0,0,0|2,0,0]=4 161 B13R1.21 COC(=O)[C@H](O)C1=CC=C(F)C=C1 AB10117 [0,1,1,0,0,0|2,0,0]=4 162 B13R1.522 C[C@](O)(C(=O)O)C1=CC=C(F)C=C1 AC6862 [0,1,1,0,0,0|2,0,0]=4 163 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 C13632 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.135 O=C1SC2=C(C=CC=C2)N1CO 73810 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.359 O=C1NC2=C(C=CC=C2)C1(F)F 68466 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.3028 CC1=CC2=C(C=C1)OC(=O)N2C W16975 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.3028 CN1C(=O)OC2=C1C=C(Br)C=C2 53498 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(Br)C=C2 72257 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 78591 [1,1,0,0,0,0|1,0,0]=3 170 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 71614 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.4825 CC1=CC=CC2=C1OC(=O)N2C F20193 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 82076 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O AC5802 [1,1,0,0,0,0|1,0,1]=4 174 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O AC3054 [1,1,0,0,0,0|1,0,1]=4 175 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 82428 [1,1,0,0,0,0|1,0,1]=4 176 B13R2.4856 CC1=CC=CC2=C1N(C)C(=O)O2 F20194 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.4856 CC1=CC=CC2=C1[C@H](N)C(=O)N2 W11763 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.4856 CN1C(=O)CC2=CC=CC(Br)=C21 82390 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.4856 CN1C(=O)NC2=CC=CC(Br)=C21 D86137 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O 83458 [1,1,0,0,0,0|1,0,1]=4 181 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 P10395 [1,1,0,0,0,0|1,1,0]=4 182 B13R2.43 O=CC1=CC2=C(C=C(Cl)C=C2)N1 27099 [1,1,0,0,0,0|1,1,0]=4 183 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)N1 25706 [1,1,0,0,0,0|1,1,0]=4 184 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 20296 [1,1,0,0,0,0|0,0,1]=3 185 B13R2.2121 C#CC1=CC2=C(C=C1)NC(=O)O2 AC3197 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 25963 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 36536 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)N2 F52590 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.2121 NCC1=CC2=C(C=C1)NC(=O)C2 D80888 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 P12642 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)N2 C14115 [1,1,0,0,0,0|1,0,0]=3 192 B13R2.3050 CC1=CC2=C(C=CC(F)=C2F)N1 58415 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.3050 O=C1CC2=C(N=CC(F)=C2Cl)N1 P11544 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.3050 O=C1NC2=C(O1)C(F)=C(F)C=C2 AC6264 [1,1,0,0,0,0|1,0,0]=3 195 B13R2.5397 CC1=CC(O)=CC2=C1NC(=O)C2 50026 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.5397 CC1=CC2=C(NC(=O)C2)C(C)=C1 C76321 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.5397 NC1=C2NC(=O)CC2=CC(F)=C1 26920 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.5397 NC1=CC(F)=C2OC(=O)NC2=C1 79371 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.5397 O=C1CC2=C(F)C=C(Br)C=C2N1 W19012 [1,1,0,0,0,0|1,1,0]=4 200 B13R2.5397 O=C1CC2=C(F)C=C(F)C=C2N1 33607 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.5397 O=C1CC2=CC(F)=CC(Br)=C2N1 P16159 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.5397 O=C1CC2=CC(F)=CC(Cl)=C2N1 P15446 [1,1,0,0,0,0|1,0,0]=3 203 B13R2.5397 O=C1NC2=C(N1)C(Cl)=NC(Cl)=C2 O11131 [1,1,0,0,0,0|1,1,0]=4 204 B13R2.13083 CC1=CC2=C(C=C1C)NC(=S)N2 D82828 [1,1,0,0,0,0|1,1,0]=4 205 B13R2.13083 CC1=CC2=C(C=C1O)CC(=O)N2 85915 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.13083 CC1=CC2=CC(Br)=C(F)C=C2N1 96777 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.13083 FC1=CC2=C(C=C1F)NC(=S)N2 D83970 [1,1,0,0,0,0|0,1,0]=3 208 B13R2.13083 NC1=C(F)C=C2CC(=O)NC2=C1 F14440 [1,1,0,0,0,0|1,0,0]=3 209 B13R2.13083 NC1=NC2=CC(Cl)=C(F)C=C2N1 AC7992 [1,1,0,0,0,0|1,0,1]=4 210 B13R2.13083 O=C1CC2=CC(Br)=C(Cl)C=C2N1 W10489 [1,1,0,0,0,0|1,1,0]=4 211 B13R2.13083 O=C1CC2=CC(Br)=C(F)C=C2N1 P16121 [1,1,0,0,0,0|1,0,0]=3 212 B13R2.13083 O=C1CC2=CC(I)=C(Cl)C=C2N1 F51291 [1,1,0,0,0,0|1,1,0]=4 213 B13R2.13083 O=C1NC2=CC(Cl)=C(Br)C=C2O1 O11552 [1,1,0,0,0,0|1,1,0]=4 214 B13R2.13083 O=C1NC2=CC(F)=C(F)C=C2N1 C77627 [1,1,0,0,0,0|0,0,0]=2 215 B13R2.13083 S=C1NC2=CC(Cl)=C(I)C=C2N1 C71821 [1,1,0,0,0,0|0,2,0]=4 216 B13R2.662 N#CC1=CNC2=C1C=CC(F)=C2 F10220 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.662 NCC1=CNC2=C1C=CC(F)=C2 Y10064 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.11642 OC1=NNC2=CC(F)=CC(Br)=C21 I11190 [1,1,0,0,0,0|2,0,0]=4 219 B15R2.65793 O=C1NC2=CC(F)=CC(F)=C2C(=O)O1 C90374 [0,1,0,0,0,1|1,0,1]=4 220 B15R2.37942 CCN1C(=O)NC2=CC(Cl)=C(Cl)C=C21 AB1381 [0,2,0,0,0,0|1,1,0]=4 221 B15R2.45549 CN1C(=O)N(C)C2=CC(Br)=C(N)C=C21 D73358 [0,2,0,0,0,0|1,1,0]=4 222 B15R2.60804 O=C1NC2=C(C=C(F)C(F)=C2F)C1=O D70693 [0,2,0,0,0,0|1,0,1]=4 223 B15R2.961 CN1C(=O)NC2=C1C=CC([N+](=O)[O-])=C2 D84495 [0,2,0,0,0,0|2,0,0]=4 224 B15R2.22335 CN1C(=O)N(C)C2=C1C=CC(C=O)=C2 D76284 [0,2,0,0,0,0|2,0,0]=4 225 B15R2.22335 COC1=CC2=C(C=C1)N(C)C(=O)N2C 79761 [0,2,0,0,0,0|2,0,0]=4 226 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 P11961 [0,0,1,1,0,0|2,0,0]=4 227 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [0,0,1,1,0,0|2,0,0]=4 228 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [0,0,1,1,0,0|2,0,0]=4 229 B13R2.155 O=C1CNC2=C(C=C(F)C=C2)N1 A12734 [0,0,1,1,0,0|2,0,0]=4 230 B13R2.155 O=C1CSC2=C(C=C(F)C=C2)N1 A12489 [0,0,1,1,0,0|1,1,0]=4 231 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [0,0,1,1,0,0|1,0,0]=3 232 B13R2.5179 O=C1NC2=CC=CC(F)=C2CO1 AC4758 [0,0,1,1,0,0|2,0,0]=4 233 B13R2.2136 O=CC1=NNC2=C1C=C(F)C=C2 26367 [0,0,1,1,0,0|2,0,0]=4 234 B15R3.45390 O=C1NC2=C(C=CC(F)=C2)C13CC3 85428 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,0,1,0,1,0|1,1,0]=4 236 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [1,0,0,0,0,1|2,0,0]=4 237 B13R2.32 O=C1NC=C2C=CC=CC2=C1Br P20049 [1,0,0,0,0,1|2,0,0]=4 238 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [1,0,0,0,0,1|2,0,0]=4 239 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [1,0,0,0,0,1|1,0,0]=3 240 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 35478 [1,0,0,0,0,1|2,0,0]=4 241 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 F52101 [1,0,0,0,0,1|2,0,0]=4 242 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 51680 [1,0,0,0,0,1|2,0,0]=4 243 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [1,0,0,0,0,1|2,0,0]=4 244 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [1,0,0,0,0,1|2,0,0]=4 245 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [1,0,0,0,0,1|2,0,0]=4 246 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [1,0,0,0,0,1|1,0,0]=3 247 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [1,0,0,0,0,1|1,0,0]=3 248 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [1,0,0,0,0,1|2,0,0]=4 249 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [1,0,0,0,0,1|2,0,0]=4 250 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [1,0,0,0,0,1|2,0,0]=4 251 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 W17152 [1,0,0,0,0,1|1,0,1]=4 252 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 O11650 [1,0,0,0,0,1|1,1,0]=4 253 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 55345 [1,0,0,0,0,1|1,1,0]=4 254 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 AC2180 [1,0,0,0,0,1|2,0,0]=4 255 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [1,0,0,0,0,1|1,1,0]=4 256 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [1,0,0,0,0,1|2,0,0]=4 257 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 62820 [1,0,0,0,0,1|1,1,0]=4 258 B13R2.3683 O=C1CNC2=C(C=CC(Br)=C2)N1 AC2129 [1,0,0,0,0,1|0,1,0]=3 259 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [1,0,0,0,0,1|1,1,0]=4 260 B13R2.3683 O=C1NCC2=C(C=CC(Br)=C2)N1 C71976 [1,0,0,0,0,1|0,1,0]=3