0 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 9425 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 7586 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 9409 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 CC(C)C1=CC2=CC=CC=C2C1 35010 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 CC(O)C1=CC2=C(C=CC=C2)S1 14794 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 20200 [0,0,0,0,0,0|1,0,0]=1 7 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 7016 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 28045 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 15987 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,0,0,0,0,0|0,0,0]=0 12 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 20647 [0,0,0,0,0,0|1,0,0]=1 13 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 28037 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 32509 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 20924 [0,0,0,0,0,0|1,0,0]=1 17 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 33061 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 9882 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 24236 [0,0,0,0,0,0|2,0,1]=3 20 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 33476 [0,0,0,0,0,0|2,0,1]=3 21 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 23197 [0,0,0,0,0,0|2,0,1]=3 22 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 15844 [0,0,0,0,0,0|1,0,1]=2 24 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 15887 [0,0,0,0,0,0|1,0,1]=2 25 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,0,0,0,0,0|0,0,2]=2 26 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,0,0,0,0,0|0,0,2]=2 27 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,0,0,0,0,0|0,0,2]=2 28 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 1754 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 1755 [0,0,0,0,0,0|2,0,1]=3 30 B13R2.435 OB(O)C1=NC2=C(C=CC=C2)N1 7876 [0,0,0,0,0,0|2,0,1]=3 31 B12R2.32 C=CC1=NC2=C(C=CC=C2)N1 8069 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [1,0,0,0,0,0|1,0,1]=3 34 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 21432 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 7545 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 26374 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [1,0,0,0,0,0|0,0,0]=1 40 B12R2.32 O=CC1=CC2=CC=NC=C2S1 33028 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.32 O=CC1=CN2C=NC=CC2=N1 27911 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [1,0,0,0,0,0|1,0,0]=2 43 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 14482 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 7021 [1,0,0,0,0,0|1,0,1]=3 45 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 7590 [1,0,0,0,0,0|1,0,1]=3 46 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 14535 [1,0,0,0,0,0|1,0,2]=4 47 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 20609 [0,1,0,0,0,0|0,0,0]=1 48 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 18541 [0,1,0,0,0,0|1,0,0]=2 49 B14R2.450 O=C(O)C1=NN2C=CC=CC2=C1Br 15407 [0,1,0,0,0,0|1,0,1]=3 50 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 7284 [0,1,0,0,0,0|0,0,0]=1 51 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 25119 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 20927 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 20835 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.972 COC(=O)C1=CN2C=CC=CC2=N1 17885 [0,1,0,0,0,0|1,0,1]=3 55 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 23451 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 19291 [0,1,0,0,0,0|1,0,1]=3 57 B14R2.972 O=C(CBr)C1=CC2=C(C=CC=C2)O1 7013 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.972 O=C(CBr)C1=NC2=C(C=CC=C2)S1 23327 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)O1 12304 [0,1,0,0,0,0|1,0,1]=3 60 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)S1 12306 [0,1,0,0,0,0|1,0,1]=3 61 B14R2.3129 CC(C)(C)C1=CC2=CC=CC=C2N1 7979 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.3129 FC(F)(F)C1=CC2=CC=CC=C2N1 23796 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)O1 7024 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 10221 [0,1,0,0,0,0|2,0,1]=4 65 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 32494 [0,1,0,0,0,0|1,0,0]=2 66 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 28967 [0,1,0,0,0,0|1,0,0]=2 67 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 32492 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 15857 [0,1,0,0,0,0|1,0,1]=3 69 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=N1 32504 [0,1,0,0,0,0|2,0,0]=3 70 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 28835 [0,1,0,0,0,0|0,0,0]=1 71 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)O1 24755 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 20509 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 28020 [0,1,0,0,0,0|1,0,0]=2 74 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 27851 [0,1,0,0,0,0|1,0,0]=2 75 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 32493 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 34487 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 14940 [0,1,0,0,0,0|1,0,0]=2 78 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 32495 [0,1,0,0,0,0|1,0,0]=2 79 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 35763 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 28019 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 27990 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 28034 [0,1,0,0,0,0|1,0,0]=2 83 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 27991 [0,1,0,0,0,0|1,0,0]=2 84 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 28035 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 27992 [0,1,0,0,0,0|1,0,0]=2 86 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 1663 [0,1,0,0,0,0|0,0,0]=1 87 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 26739 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 32505 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 14359 [0,1,0,0,0,0|1,0,0]=2 90 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 1670 [0,1,0,0,0,0|0,0,0]=1 91 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 14614 [0,1,0,0,0,0|1,0,0]=2 92 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 14379 [0,1,0,0,0,0|1,0,0]=2 93 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 1683 [0,1,0,0,0,0|0,0,0]=1 94 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 14919 [0,1,0,0,0,0|1,0,0]=2 95 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 1716 [0,1,0,0,0,0|0,0,0]=1 96 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 1664 [0,1,0,0,0,0|0,0,0]=1 97 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 1671 [0,1,0,0,0,0|0,0,0]=1 98 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 14615 [0,1,0,0,0,0|1,0,0]=2 99 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 1684 [0,1,0,0,0,0|0,0,0]=1 100 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 13369 [0,1,0,0,0,0|0,0,0]=1 101 B14R2.4529 O=C(O)C1=CC2=NC(F)=CN=C2N1 15988 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 15865 [0,1,0,0,0,0|1,0,1]=3 103 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 23037 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.4529 O=C(O)C1=NC2=NC(Cl)=CC=C2N1 14929 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 15405 [0,1,0,0,0,0|1,0,1]=3 106 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 15400 [0,1,0,0,0,0|1,0,1]=3 107 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=NC2=C1 14906 [0,1,0,0,0,0|2,0,1]=4 108 B14R2.4529 O=C(O)C1=NN2C=C(F)C=CC2=C1 15406 [0,1,0,0,0,0|1,0,1]=3 109 B14R2.4529 OB(O)C1=CC2=C(C=C(Br)C=C2)O1 34361 [0,1,0,0,0,0|2,0,1]=4 110 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)S1 5338 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)S1 21013 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 1706 [0,1,0,0,0,0|0,0,0]=1 113 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 27878 [0,1,0,0,0,0|1,0,0]=2 114 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 32491 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 27993 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 9494 [0,1,0,0,0,0|0,0,0]=1 117 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 28039 [0,1,0,0,0,0|2,0,0]=3 118 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 32497 [0,1,0,0,0,0|1,0,0]=2 119 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 27995 [0,1,0,0,0,0|1,0,0]=2 120 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 32496 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 32441 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)O1 32498 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 27997 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 32515 [0,1,0,0,0,0|2,0,0]=3 125 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 28040 [0,1,0,0,0,0|2,0,0]=3 126 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 2531 [0,1,0,0,0,0|0,0,0]=1 127 B14R2.7969 O=C(O)C1=CC2=C(F)C=NC=C2S1 28041 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 15985 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 32519 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2F)N1 15986 [0,1,0,0,0,0|2,0,0]=3 131 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 30412 [0,1,0,0,0,0|0,0,0]=1 132 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 32476 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 32474 [0,1,0,0,0,0|1,0,0]=2 134 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 27994 [0,1,0,0,0,0|1,0,0]=2 135 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 34191 [0,1,0,0,0,0|1,0,0]=2 136 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 27996 [0,1,0,0,0,0|1,0,0]=2 137 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 28833 [0,1,0,0,0,0|0,0,0]=1 138 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 23489 [0,1,0,0,0,0|0,0,0]=1 139 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2S1 32511 [0,1,0,0,0,0|2,0,0]=3 140 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 16293 [0,1,0,0,0,0|1,0,1]=3 141 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2F)O1 34509 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,0,1,0,0,0|0,0,2]=3 143 B12R1.43 C[C@@H](NC1=NC=CC=C1)C(=O)O 5694 [0,0,1,0,0,0|1,0,2]=4 144 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,0,1,0,0,0|1,0,0]=2 145 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,0,1,0,0,0|1,0,2]=4 146 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,0,1,0,0,0|1,0,2]=4 147 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,0,1,0,0,0|0,0,2]=3 148 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,0,1,0,0,0|1,0,2]=4 149 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,0,1,0,0,0|0,0,2]=3 150 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,0,1,0,0,0|0,0,2]=3 151 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,0,1,0,0,0|1,0,2]=4 152 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,0,1,0,0,0|1,0,2]=4 153 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,0,1,0,0,0|1,0,2]=4 154 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,0,1,0,0,0|1,0,2]=4 155 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,0,1,0,0,0|0,0,2]=3 156 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,0,1,0,0,0|1,0,2]=4 157 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,0,1,0,0,0|1,0,2]=4 158 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,0,1,0,0,0|1,0,2]=4 159 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,0,1,0,0,0|1,0,2]=4 160 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,0,1,0,0,0|1,0,2]=4 161 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,0,1,0,0,0|1,0,2]=4 162 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [0,0,1,0,0,0|1,0,0]=2 163 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [0,0,1,0,0,0|1,0,0]=2 164 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,0,1,0,0,0|1,0,2]=4 165 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,0,1,0,0,0|1,0,2]=4 166 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [0,0,1,0,0,0|1,0,1]=3 167 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [0,0,1,0,0,0|2,0,1]=4 168 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [0,0,1,0,0,0|1,0,0]=2 169 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [0,0,1,0,0,0|1,0,0]=2 170 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [0,0,1,0,0,0|1,0,0]=2 171 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [0,0,1,0,0,0|1,0,0]=2 172 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 33366 [0,0,0,0,1,0|2,0,0]=3 173 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 33367 [0,0,0,0,1,0|2,0,0]=3 174 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 29049 [0,0,0,0,0,1|0,0,0]=1 175 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 36074 [0,0,0,0,0,1|1,0,0]=2 176 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 16311 [0,0,0,0,0,1|1,0,2]=4 177 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 9428 [0,0,0,0,0,1|2,0,0]=3 178 B14R2.781 NC(=O)C1=CC=C2N=CC=CC2=C1 31669 [0,0,0,0,0,1|3,0,0]=4 179 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2C=C1 19791 [0,0,0,0,0,1|2,0,0]=3 180 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 9417 [0,0,0,0,0,1|1,0,0]=2 181 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 10167 [0,0,0,0,0,1|0,0,1]=2 182 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 16889 [0,0,0,0,0,1|0,0,1]=2 183 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 7517 [0,0,0,0,0,1|0,0,1]=2 184 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 27138 [0,0,0,0,0,1|1,0,1]=3 185 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 24139 [0,0,0,0,0,1|2,0,0]=3 186 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 7578 [0,0,0,0,0,1|2,0,0]=3 187 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 15419 [0,0,0,0,0,1|3,0,0]=4 188 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 14632 [0,0,0,0,0,1|3,0,0]=4 189 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 7514 [0,0,0,0,0,1|0,0,1]=2 190 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 9776 [0,0,0,0,0,1|0,0,1]=2 191 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 33823 [0,0,0,0,0,1|1,0,1]=3 192 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 13907 [0,0,0,0,0,1|1,0,1]=3 193 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 6300 [0,0,0,0,0,1|0,0,2]=3 194 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 14568 [0,0,0,0,0,1|1,0,2]=4 195 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 5793 [0,0,0,0,0,1|0,0,2]=3 196 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 11672 [0,0,0,0,0,1|1,0,2]=4 197 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 6296 [0,0,0,0,0,1|0,0,2]=3 198 B14R2.781 O=C(O)[C@H]1COC2=C(C=CC=C2)O1 11674 [0,0,0,0,0,1|1,0,2]=4 199 B14R2.781 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1 5822 [0,0,0,0,0,1|1,0,2]=4 200 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 6405 [0,0,0,0,0,1|2,0,1]=4 201 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 5870 [0,0,0,0,0,1|1,0,2]=4 202 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 7875 [0,0,0,0,0,1|1,0,2]=4 203 B14R2.781 OB(O)c1cnc2ccccc2c1 5872 [0,0,0,0,0,1|1,0,2]=4 204 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,1,0,0,0|1,0,0]=3 206 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,0,1,0,0,0|1,0,0]=3 207 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,0,1,0,0,0|1,0,0]=3 208 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,0,1,0,0,0|0,0,2]=4 209 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,1,0,0,0|0,0,2]=4 210 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,0,1,0,0,0|0,0,0]=2 211 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [1,0,1,0,0,0|1,0,0]=3 212 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [1,0,1,0,0,0|1,0,0]=3 213 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [1,0,1,0,0,0|1,0,0]=3 214 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,0,1,0,0,0|0,0,1]=3 215 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,0,1,0,0,0|1,0,1]=4 217 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [2,0,0,0,0,0|2,0,0]=4 218 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [2,0,0,0,0,0|2,0,0]=4 219 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [2,0,0,0,0,0|2,0,0]=4 220 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [2,0,0,0,0,0|1,0,1]=4 221 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [2,0,0,0,0,0|0,0,1]=3 222 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [2,0,0,0,0,0|1,0,1]=4 223 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [2,0,0,0,0,0|2,0,0]=4 224 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [2,0,0,0,0,0|2,0,0]=4 225 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [2,0,0,0,0,0|2,0,0]=4 226 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [2,0,0,0,0,0|1,0,1]=4 227 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [2,0,0,0,0,0|1,0,1]=4 228 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [2,0,0,0,0,0|0,0,1]=3 229 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [2,0,0,0,0,0|1,0,1]=4 230 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [2,0,0,0,0,0|1,0,1]=4 231 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [2,0,0,0,0,0|1,0,0]=3 232 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [2,0,0,0,0,0|1,0,0]=3 233 B11R2.10 O=C1NC2=CC=CN=C2N1 18669 [2,0,0,0,0,0|2,0,0]=4 234 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [2,0,0,0,0,0|2,0,0]=4 235 B11R2.10 OC1=CN2C=CC=CC2=N1 23702 [2,0,0,0,0,0|1,0,1]=4 236 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [2,0,0,0,0,0|1,0,0]=3 237 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [2,0,0,0,0,0|1,1,0]=4 238 B13R1.133 CC(NC1=CC=C(Br)C=C1)C(=O)O 35889 [0,1,1,0,0,0|0,0,2]=4 239 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,1,1,0,0,0|0,0,2]=4 240 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,1,1,0,0,0|0,0,2]=4 241 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,1,1,0,0,0|0,0,2]=4 242 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,1,1,0,0,0|0,0,2]=4 243 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,1,1,0,0,0|0,0,2]=4 244 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,1,1,0,0,0|0,0,2]=4 245 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,1,1,0,0,0|0,0,2]=4 246 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,1,1,0,0,0|0,0,2]=4 247 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,1,1,0,0,0|0,0,2]=4 248 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,1,1,0,0,0|0,0,2]=4 249 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,1,1,0,0,0|0,0,2]=4 250 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,1,1,0,0,0|0,0,2]=4 251 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,1,1,0,0,0|0,0,2]=4 252 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,1,1,0,0,0|0,0,2]=4 253 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,1,1,0,0,0|0,0,2]=4 254 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,1,1,0,0,0|0,0,2]=4 255 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,1,1,0,0,0|0,0,2]=4 256 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,1,1,0,0,0|0,0,2]=4 257 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,1,1,0,0,0|0,0,2]=4 258 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,1,1,0,0,0|0,0,2]=4 259 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,1,1,0,0,0|0,0,2]=4 260 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,1,1,0,0,0|0,0,2]=4 261 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,1,1,0,0,0|0,0,2]=4 262 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,1,1,0,0,0|0,0,2]=4 263 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 18697 [0,1,1,0,0,0|0,0,2]=4 264 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 18698 [0,1,1,0,0,0|0,0,2]=4 265 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O 19382 [0,1,1,0,0,0|0,0,2]=4 266 B13R1.148 NC1=CC=CC(C[C@@H](N)C(=O)O)=C1 30184 [0,1,1,0,0,0|0,0,2]=4 267 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 30186 [0,1,1,0,0,0|0,0,2]=4 268 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18010 [0,1,1,0,0,0|0,0,2]=4 269 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18643 [0,1,1,0,0,0|0,0,2]=4 270 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 11978 [0,1,1,0,0,0|0,0,2]=4 271 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 17992 [0,1,1,0,0,0|0,0,2]=4 272 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 17964 [0,1,1,0,0,0|0,0,2]=4 273 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 18009 [0,1,1,0,0,0|0,0,2]=4 274 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 24700 [0,1,1,0,0,0|0,0,2]=4 275 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O 11977 [0,1,1,0,0,0|0,0,2]=4 276 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O 17963 [0,1,1,0,0,0|0,0,2]=4 277 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 29793 [0,1,1,0,0,0|0,0,2]=4 278 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 29792 [0,1,1,0,0,0|0,0,2]=4 279 B13R1.202 NC1=C(C[C@@H](N)C(=O)O)C=CC=C1 30192 [0,1,1,0,0,0|0,0,2]=4 280 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 18007 [0,1,1,0,0,0|0,0,2]=4 281 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 11960 [0,1,1,0,0,0|0,0,2]=4 282 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 29772 [0,1,1,0,0,0|0,0,2]=4 283 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O 17997 [0,1,1,0,0,0|0,0,2]=4 284 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 11958 [0,1,1,0,0,0|0,0,2]=4 285 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 17991 [0,1,1,0,0,0|0,0,2]=4 286 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 23304 [0,1,1,0,0,0|0,0,2]=4 287 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 29773 [0,1,1,0,0,0|0,0,2]=4 288 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,1,1,0,0,0|0,0,2]=4 289 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,1,1,0,0,0|0,0,2]=4 290 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,1,1,0,0,0|0,0,2]=4 291 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 8215 [0,1,1,0,0,0|1,0,0]=3 292 B13R1.150 O=C(O)\C=C\C1=C(F)C(Cl)=CC=C1 7112 [0,1,1,0,0,0|1,0,0]=3 293 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 4329 [0,1,1,0,0,0|1,0,0]=3 294 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 27529 [0,1,1,0,0,0|1,0,0]=3 295 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 3429 [0,1,1,0,0,0|1,0,0]=3 296 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 3229 [0,1,1,0,0,0|1,0,0]=3 297 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Cl)C=C1 3431 [0,1,1,0,0,0|1,0,0]=3 298 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 26647 [0,1,1,0,0,0|1,0,0]=3 299 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 4333 [0,1,1,0,0,0|1,0,0]=3 300 B13R1.893 O=C(O)\C=C\C1=C(Br)C=CC(F)=C1 26645 [0,1,1,0,0,0|1,0,0]=3 301 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 3230 [0,1,1,0,0,0|1,0,0]=3 302 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 4336 [0,1,1,0,0,0|1,0,0]=3 303 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1F 3430 [0,1,1,0,0,0|1,0,0]=3 304 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F 4344 [0,1,1,0,0,0|1,0,0]=3 305 B13R2.26 OCCC1=CC2=C(C=CC=C2)S1 12376 [1,1,0,0,0,0|1,0,1]=4 306 B13R2.43 NC1=CC2=C(C=C1)NC(CO)=N2 26417 [1,1,0,0,0,0|1,0,1]=4 307 B13R2.43 O=C=C1C=C2C=CC(Cl)=CC2=N1 13946 [1,1,0,0,0,0|0,0,2]=4 308 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)O1 10165 [1,1,0,0,0,0|1,0,0]=3 309 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 27920 [1,1,0,0,0,0|1,0,0]=3 310 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 7453 [1,1,0,0,0,0|1,0,0]=3 311 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 16250 [1,1,0,0,0,0|1,0,0]=3 312 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 17140 [1,1,0,0,0,0|1,0,0]=3 313 B13R2.54 O=CC1=CN2C=CC=C(Cl)C2=N1 24626 [1,1,0,0,0,0|1,0,1]=4 314 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 17854 [0,1,0,0,1,0|1,0,0]=3 315 B15R2.629 O=C(O)CN1Cc2ccccc2C1=O 10333 [0,1,0,0,0,1|2,0,0]=4 316 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 18787 [0,1,0,0,0,1|1,0,0]=3 317 B15R2.627 O=C(O)C1=C(O)C2=CN=CC=C2N=C1 27088 [0,1,0,0,0,1|1,0,1]=4 318 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O 29034 [0,1,0,0,0,1|0,0,0]=2 319 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O 8664 [0,1,0,0,0,1|2,0,0]=4 320 B15R2.984 CC1=NC2=NC=CC=C2C=C1C(=O)O 14760 [0,1,0,0,0,1|1,0,1]=4 321 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O 11094 [0,1,0,0,0,1|1,0,0]=3 322 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 16888 [0,1,0,0,0,1|0,0,1]=3 323 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2N=C1 27038 [0,1,0,0,0,1|1,0,1]=4 324 B15R2.1601 COC(=O)C1=CC=C2N=CC=CC2=C1 19578 [0,1,0,0,0,1|2,0,0]=4 325 B15R2.1601 COC(=O)C1CCC2=CC=CC=C2N1 32308 [0,1,0,0,0,1|0,0,2]=4 326 B15R2.1601 O=CC(=O)C1=CC2=CC=CC=C2C=C1 12081 [0,1,0,0,0,1|1,0,1]=4 327 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 19963 [0,1,0,0,0,1|2,0,0]=4 328 B15R2.7174 O=C(O)C1=CC2=CC(Cl)=CC=C2N=C1 14634 [0,1,0,0,0,1|0,0,1]=3 329 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 27925 [0,1,0,0,0,1|1,0,0]=3 330 B15R2.7180 CC(=O)C1=CC=C2C=C(O)C=CC2=C1 11101 [0,1,0,0,0,1|2,0,0]=4 331 B15R2.7180 CC1=NC2=CC=C(C(=O)O)C=C2C=C1 36096 [0,1,0,0,0,1|2,0,0]=4 332 B15R2.7180 O=C(Cl)C1=CC2=CC=C(Br)C=C2C=C1 35114 [0,1,0,0,0,1|2,0,0]=4 333 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=C1 9466 [0,1,0,0,0,1|1,0,0]=3 334 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2N=C1 35925 [0,1,0,0,0,1|0,0,1]=3 335 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2C=C1 33553 [0,1,0,0,0,1|1,0,0]=3 336 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2N=C1 14619 [0,1,0,0,0,1|0,0,1]=3 337 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2C=C1 9468 [0,1,0,0,0,1|1,0,0]=3 338 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=CC2=C1 23045 [0,1,0,0,0,1|2,0,0]=4 339 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2C=C1 13404 [0,1,0,0,0,1|0,0,1]=3 340 B15R2.7180 O=C(O)[C@@H]1CC2=CC=C(O)C=C2CN1 23610 [0,1,0,0,0,1|0,0,2]=4 341 B15R2.13598 O=C(O)C1=CC2=CC=CC(Cl)=C2C=C1 31830 [0,1,0,0,0,1|1,0,0]=3 342 B15R2.13598 O=C(O)C1=CC2=CC=CC(Cl)=C2N=C1 14644 [0,1,0,0,0,1|0,0,1]=3 343 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=NC2=C1 17848 [0,1,0,0,0,1|2,0,0]=4 344 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 9709 [0,1,0,0,0,1|1,0,0]=3 345 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 7255 [0,1,0,0,0,1|0,0,1]=3 346 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 14620 [0,1,0,0,0,1|2,0,0]=4 347 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Cl)C2=C1 14618 [0,1,0,0,0,1|2,0,0]=4 348 B15R2.1592 COC(=O)C1=C(Br)C2=NC=CC=C2N1 20925 [0,2,0,0,0,0|1,0,0]=3 349 B15R2.1592 COC(=O)C1=C(N)C2=CC=CN=C2S1 33024 [0,2,0,0,0,0|2,0,0]=4 350 B15R2.1592 COC(=O)C1=C(N)C2=NC=CC=C2S1 17783 [0,2,0,0,0,0|2,0,0]=4 351 B15R2.1592 COC(=O)C1=C(O)C2=CC=CC=C2N1 15863 [0,2,0,0,0,0|0,0,0]=2 352 B15R2.1592 COC(=O)C1=CC2=CC=CC=C2N1C 22332 [0,2,0,0,0,0|0,0,0]=2 353 B15R2.1592 NNC(=O)C1=C(N)C2=CC=CC=C2N1 9447 [0,2,0,0,0,0|1,0,0]=3 354 B15R2.13629 CC1=C(C(=O)O)SC2=C1C(Cl)=CC=C2 31610 [0,2,0,0,0,0|1,0,0]=3 355 B15R2.14758 CC1=C(C(=O)O)SC2=C1C=CC(Cl)=C2 31612 [0,2,0,0,0,0|1,0,0]=3 356 B15R2.14758 CC1=CC2=NC(C(=O)O)=C(Br)N2C=C1 34557 [0,2,0,0,0,0|1,0,1]=4 357 B15R2.14758 CC1=CC=C2C(=N1)SC(C(=O)O)=C2N 16115 [0,2,0,0,0,0|2,0,0]=4 358 B15R2.1356 CCOC(=O)C1=CC2=C(C=CN=C2)N1 17873 [0,2,0,0,0,0|1,0,0]=3 359 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 1697 [0,2,0,0,0,0|0,0,0]=2 360 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2N1 25345 [0,2,0,0,0,0|1,0,0]=3 361 B15R2.1356 CCOC(=O)C1=CC2=CC=NC=C2N1 26218 [0,2,0,0,0,0|1,0,0]=3 362 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 23783 [0,2,0,0,0,0|1,0,1]=4 363 B15R2.1356 CCOC(=O)[C@@H]1CC2=CC=CC=C2N1 14241 [0,2,0,0,0,0|0,0,2]=4 364 B15R2.1356 CCOC(=O)[C@@H]1CC2=CC=CC=C2N1 25679 [0,2,0,0,0,0|0,0,2]=4 365 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)S1 27852 [0,2,0,0,0,0|1,0,0]=3 366 B15R2.1590 COC(=O)C1=CC2=C(C=C(O)C=C2)O1 33758 [0,2,0,0,0,0|1,0,0]=3 367 B15R2.1590 COC(=O)C1=CC2=C(C=CC(O)=C2)O1 33756 [0,2,0,0,0,0|1,0,0]=3 368 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2S1 32507 [0,2,0,0,0,0|2,0,0]=4 369 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CN=C2N1 14948 [0,2,0,0,0,0|1,0,0]=3 370 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=NC=C2S1 28043 [0,2,0,0,0,0|2,0,0]=4 371 B15R2.1590 COC(=O)C1=CC2=CC(F)=CC=C2N1 16031 [0,2,0,0,0,0|0,0,0]=2 372 B15R2.1590 COC(=O)C1=CC2=CC=C(Cl)N=C2N1 19343 [0,2,0,0,0,0|1,0,0]=3 373 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 20672 [0,2,0,0,0,0|1,0,0]=3 374 B15R2.1590 COC(=O)C1=CC2=NC=C(N)C=C2N1 20673 [0,2,0,0,0,0|1,0,0]=3 375 B15R2.1590 COC(=O)C1=NC2=C(C=CC(N)=C2)N1 8066 [0,2,0,0,0,0|1,0,0]=3 376 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CN=C2S1 32506 [0,2,0,0,0,0|2,0,0]=4 377 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2S1 27922 [0,2,0,0,0,0|2,0,0]=4 378 B15R2.1598 COC(=O)C1=CC2=C(Br)N=CC=C2N1 19287 [0,2,0,0,0,0|1,0,0]=3 379 B15R2.1598 COC(=O)C1=CC2=C(C)C=CC=C2N1 23574 [0,2,0,0,0,0|0,0,0]=2 380 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Cl)S1 32516 [0,2,0,0,0,0|2,0,0]=4 381 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CN=C2N1 14913 [0,2,0,0,0,0|1,0,0]=3 382 B15R2.1598 COC(=O)C1=CC2=C(Cl)N=CC=C2N1 19286 [0,2,0,0,0,0|1,0,0]=3 383 B15R2.1598 COC(=O)C1=CC2=C(F)C=NC=C2S1 28042 [0,2,0,0,0,0|2,0,0]=4 384 B15R2.1598 COC(=O)C1=CC2=C(S1)C(Cl)=CC=C2 34504 [0,2,0,0,0,0|1,0,0]=3 385 B15R2.1598 COC(=O)C1=CC2=C(S1)C(N)=CC=C2 33683 [0,2,0,0,0,0|1,0,0]=3 386 B15R2.1598 COC(=O)C1=CC2=CC=NC(Cl)=C2S1 32512 [0,2,0,0,0,0|2,0,0]=4 387 B15R2.1102 O=C(O)C1=CC2=CC(F)=C(F)C=C2N1 1677 [0,2,0,0,0,0|0,0,0]=2 388 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 34538 [0,2,0,0,0,0|1,0,0]=3 389 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 1703 [0,2,0,0,0,0|0,0,0]=2 390 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 1702 [0,2,0,0,0,0|0,0,0]=2 391 B15R2.7254 O=C(O)C1=CC2=C(F)C(Cl)=CC=C2N1 28832 [0,2,0,0,0,0|0,0,0]=2 392 B15R2.15633 CC1=CC2=C(C=C(C(=O)O)O2)C(C)=C1 34802 [0,2,0,0,0,0|1,0,0]=3 393 B15R2.15633 O=C(O)C1=CC2=C(C=C(Br)C=C2F)S1 27998 [0,2,0,0,0,0|1,0,0]=3 394 B15R2.15633 O=C(O)C1=CC2=C(Cl)C=C(Cl)C=C2N1 7197 [0,2,0,0,0,0|0,0,0]=2 395 B15R2.15633 O=C(O)C1=CC2=C(F)C=C(F)C=C2N1 1676 [0,2,0,0,0,0|0,0,0]=2 396 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 24846 [0,2,0,0,0,0|0,0,0]=2 397 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 7194 [0,2,0,0,0,0|0,0,0]=2 398 B15R2.15633 O=C(O)C1=CC2=CC(F)=CC(F)=C2N1 7180 [0,2,0,0,0,0|0,0,0]=2 399 B15R2.20824 COC1=C2C=C(C(=O)O)NC2=CC=C1 9380 [0,2,0,0,0,0|0,0,0]=2 400 B15R2.20824 COC1=CC=CC2=C1OC(C(=O)O)=C2 32475 [0,2,0,0,0,0|1,0,0]=3 401 B15R2.20824 COC1=CC=CC2=C1OC(C(C)=O)=C2 6940 [0,2,0,0,0,0|2,0,0]=4 402 B15R2.20824 COC1=CC=CC2=C1SC(C(=O)O)=C2 34141 [0,2,0,0,0,0|1,0,0]=3 403 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [0,0,1,1,0,0|2,0,0]=4 404 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [0,0,1,1,0,0|1,0,1]=4 405 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [0,0,1,1,0,0|2,0,0]=4 406 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [0,0,1,1,0,0|2,0,0]=4 407 B13R2.72 O=C(O)C1=CC=C2N=CC=CN21 20669 [0,0,1,1,0,0|1,0,0]=3 408 B13R2.72 O=C(O)C1=CCC2=CC=CC=C21 35527 [0,0,1,1,0,0|1,0,1]=4 409 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 1692 [0,0,1,1,0,0|2,0,0]=4 410 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 13463 [0,0,1,1,0,0|2,0,0]=4 411 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 15666 [0,0,1,1,0,0|1,0,1]=4 412 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 7018 [0,0,1,1,0,0|2,0,0]=4 413 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 20599 [0,0,1,1,0,0|2,0,0]=4 414 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 28024 [0,0,1,1,0,0|2,0,0]=4 415 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 28001 [0,0,1,1,0,0|2,0,0]=4 416 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 1695 [0,0,1,1,0,0|2,0,0]=4 417 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 1694 [0,0,1,1,0,0|2,0,0]=4 418 B13R2.430 O=C(O)c1cc2cccn2cn1 17868 [0,0,1,1,0,0|1,0,1]=4 419 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 28028 [0,0,1,1,0,0|2,0,0]=4 420 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 2475 [0,0,1,1,0,0|2,0,0]=4 421 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CN2 1693 [0,0,1,1,0,0|2,0,0]=4 422 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CS2 34094 [0,0,1,1,0,0|2,0,0]=4 423 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 27099 [0,0,1,1,0,0|1,0,1]=4 424 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,0,1,0,1,0|0,0,0]=2 425 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,0,1,0,1,0|0,0,2]=4 426 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,0,1,0,1,0|0,0,2]=4 427 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,0,1,0,1,0|0,0,2]=4 428 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,0,1,0,1,0|1,0,1]=4 429 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,0,1,0,1,0|1,0,1]=4 430 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,0,1,0,1,0|0,0,1]=3 431 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,0,1,0,1,0|0,0,1]=3 432 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,0,1,0,1,0|0,0,1]=3 433 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,0,1,0,1,0|1,0,1]=4 434 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,0,1,0,1,0|1,0,1]=4 435 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,0,1,0,1,0|1,0,1]=4 436 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,0,1,0,1,0|2,0,0]=4 437 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,0,1,0,1,0|0,0,2]=4 438 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,0,1,0,1,0|1,0,1]=4 439 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,0,1,0,1,0|1,0,1]=4 440 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,0,1,0,1,0|1,0,1]=4 441 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,0,1,0,1,0|1,0,1]=4 442 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,0,1,0,1,0|1,0,1]=4 443 B13R1.348 CC(=O)\C=C(/C)NC1=CC=CC=C1 12811 [0,0,1,0,0,1|1,0,1]=4 444 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24324 [0,0,1,0,0,1|0,0,2]=4 445 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 13855 [0,0,1,0,0,1|0,0,2]=4 446 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 25817 [0,0,1,0,0,1|1,0,0]=3 447 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 11932 [0,0,1,0,0,1|0,0,2]=4 448 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 19031 [0,0,1,0,0,1|0,0,2]=4 449 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 11884 [0,0,1,0,0,1|0,0,2]=4 450 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O 30241 [0,0,1,0,0,1|0,0,2]=4 451 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,0,1,0,0,1|1,0,1]=4 452 B13R1.158 NC1=C(OCCC(=O)O)C=CC=C1 16177 [0,0,1,0,0,1|0,0,2]=4 453 B13R1.158 NC1=C(SCCC(=O)O)C=CC=C1 16183 [0,0,1,0,0,1|0,0,2]=4 454 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 9471 [1,0,0,0,0,1|2,0,0]=4 455 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 9416 [1,0,0,0,0,1|1,0,0]=3 456 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 23838 [1,0,0,0,0,1|2,0,0]=4 457 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 10181 [1,0,0,0,0,1|2,0,0]=4 458 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 2277 [1,0,0,0,0,1|0,0,1]=3 459 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 21935 [1,0,0,0,0,1|0,0,1]=3 460 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 17894 [1,0,0,0,0,1|1,0,1]=4 461 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)N1 7592 [0,0,0,0,0,2|1,0,0]=3 462 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)S1 15350 [0,0,0,0,0,2|1,0,1]=4 463 B15R2.1660 O=C(O)\C=C\c1cc2ccccc2o1 23868 [0,0,0,0,0,2|1,0,0]=3 464 B15R2.1668 O=C(Cl)CC1=CC2=CC=CC=C2C=C1 15724 [0,0,0,0,0,2|2,0,0]=4 465 B15R2.1668 O=C(O)CC1=CC=C2N=CC=CC2=C1 19580 [0,0,0,0,0,2|2,0,0]=4 466 B15R2.1668 O=C(O)C[C@@H]1Cc2ccccc2CN1 30058 [0,0,0,0,0,2|0,0,2]=4 467 B15R2.1668 O=C(O)C[C@H]1CC2=CC=CC=C2CN1 30061 [0,0,0,0,0,2|0,0,2]=4