0 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 O=C(O)\C=C\C1=CC=NC=N1 Q58672 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 Q60664 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 O32453 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 O=[N+]([O-])\C=C\C1=CC=NC=C1 F-4841 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P50961 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 10666 [0,1,0,0,0,0|0,0,1]=2 19 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 P37489 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 P35904 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 P36252 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.11 COC(=O)CC(N)C1=CC=NC=C1 Q58292 [0,1,0,0,0,0|1,0,2]=4 24 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [0,1,0,0,0,0|0,0,2]=3 25 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [0,1,0,0,0,0|0,0,2]=3 26 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [0,1,0,0,0,0|0,0,2]=3 27 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,1,0,0,0,0|0,0,2]=3 29 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,1,0,0,0,0|0,0,2]=3 30 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,1,0,0,0,0|0,0,2]=3 31 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,1,0,0,0,0|0,0,2]=3 32 B13R1.14 COC(=O)CCC1=CC=C(N)N=C1 P51670 [0,1,0,0,0,0|1,0,2]=4 33 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 P41704 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.14 COC(=O)CNC1=CC=C(N)C=C1 Q66035 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,1,0,0,0,0|1,0,1]=3 36 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 P34794 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.14 COC(=O)\C=C\C1=CC=C(N)N=C1 P51618 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [0,1,0,0,0,0|0,0,2]=3 39 B13R1.15 COC(=O)CNC1=CC=CC(Br)=C1 P41893 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.15 COC(=O)COC1=CC=CC(N)=C1 P40905 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [0,1,0,0,0,0|1,0,2]=4 42 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 P50928 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,1,0,0,0,0|1,0,2]=4 44 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,1,0,0,0,0|1,0,2]=4 45 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 P43149 [0,1,0,0,0,0|1,0,2]=4 46 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 Q65636 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 P36350 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 P37360 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.528 COC(=O)CCC1=CC=CC=C1Br P36769 [0,1,0,0,0,0|0,0,2]=3 50 B13R1.528 COC(=O)CCC1=CC=CC=C1F P41253 [0,1,0,0,0,0|0,0,2]=3 51 B13R1.528 COC(=O)CNC1=CC=CC=C1F P41703 [0,1,0,0,0,0|1,0,1]=3 52 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 L14617 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.10 O=C1NC(C2=CC=CC=C2)=CS1 G-7477 [0,0,0,1,0,0|1,1,1]=4 56 B13R2.32 CC1=C(N)C=NC2=CC=CC=C21 O29995 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.32 CC1=C2N=CC=CC2=CC=C1Br O30671 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.32 CC1=C2N=CC=CC2=CC=C1Cl O30860 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.32 FC1=C2C=CC=CC2=CC=C1Br O30676 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.32 FC1=CC=C2C=CC=CC2=C1I O29428 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.32 NC1=CC=C2C=CC=CC2=C1I O30260 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.33 O=C1CCC2=CC=CC=C2CC1 Q70223 [0,0,0,1,0,0|1,0,2]=4 64 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 O31182 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 P39010 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 O30327 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.57 CNC1=CC=C2C=CC=CC2=C1 M23018 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 O31960 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 O31206 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.57 COC1=CC2=CC=CC=C2N=C1 Q67520 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 P41254 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 O30744 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 O31141 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 O31154 [0,0,0,1,0,0|3,0,0]=4 75 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,0,0,0,1,0|1,0,1]=3 76 B11R1.40 COC(=O)CC1=CC=NN=C1 G-6745 [0,0,0,0,1,0|2,0,1]=4 77 B11R1.40 COC(=O)CC1=NC=NC=C1 P44252 [0,0,0,0,1,0|2,0,1]=4 78 B11R1.40 COC(=O)CC1=NN=CC=C1 G-6749 [0,0,0,0,1,0|2,0,1]=4 79 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,0,0,0,1,0|3,0,0]=4 80 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,0,0,0,1,0|2,0,1]=4 81 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,0,0,0,1,0|2,0,1]=4 83 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [0,0,0,0,0,1|0,0,2]=3 84 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 OC\C=C\C1=CC=CN=C1 P51266 [2,0,0,0,0,0|1,0,1]=4 86 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 O32130 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.21 CC(=O)\C=C\C1=NC=C(F)C=N1 O29283 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [1,1,0,0,0,0|0,0,2]=4 91 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [1,1,0,0,0,0|0,0,2]=4 92 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 P51524 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 Q69909 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 O32312 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O P51664 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.43 O=C(O)C(=O)CC1=CC=CC=N1 Q58255 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 Q58319 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [1,1,0,0,0,0|0,0,2]=4 111 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=C1 Q60610 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=N1 Q60615 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [1,1,0,0,0,0|0,0,2]=4 115 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [1,1,0,0,0,0|0,0,2]=4 116 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [1,1,0,0,0,0|0,0,0]=2 120 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 P37059 [0,1,0,0,1,0|1,0,1]=4 121 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 P41578 [0,1,0,0,1,0|1,0,1]=4 122 B12R1.15 COC(=O)CC(=O)C1=COC=C1 P40039 [0,1,0,0,1,0|1,0,1]=4 123 B12R1.15 COC(=O)CC(=O)C1=CSC=C1 P40289 [0,1,0,0,1,0|1,0,1]=4 124 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 O30231 [0,1,0,0,1,0|1,0,1]=4 125 B12R1.34 COC(=O)C(C)C1=CC=CN=C1 Q62302 [0,1,0,0,1,0|1,0,1]=4 126 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [0,1,0,0,1,0|0,0,1]=3 127 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [0,1,0,0,1,0|1,0,1]=4 128 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 P37023 [0,1,0,0,1,0|1,0,1]=4 129 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 Q53249 [0,1,0,0,1,0|1,0,1]=4 130 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,1,0,0,1,0|0,0,1]=3 131 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 I-9270 [0,1,0,0,1,0|1,0,1]=4 132 B12R1.50 CCC(=O)CC1=CC=CC(C)=C1 P40770 [0,1,0,0,1,0|1,0,1]=4 133 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 P37115 [0,1,0,0,1,0|1,0,1]=4 134 B12R1.50 COC(=O)CC1=CC(C)=CN=C1 L14271 [0,1,0,0,1,0|1,0,1]=4 135 B12R1.50 COC(=O)CC1=CC=CC(F)=N1 N25800 [0,1,0,0,1,0|1,0,1]=4 136 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 M22875 [0,1,0,0,1,0|0,0,1]=3 137 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 P38153 [0,1,0,0,1,0|0,0,1]=3 138 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 M15820 [0,1,0,0,1,0|1,0,1]=4 139 B12R1.371 CCC(=O)CC1=CC=CC=C1C P39216 [0,1,0,0,1,0|1,0,1]=4 140 B12R1.371 CCC(=O)CC1=CC=CC=C1F P41070 [0,1,0,0,1,0|1,0,1]=4 141 B12R1.371 COC(=O)CC1=CC=CC=C1C P38193 [0,1,0,0,1,0|0,0,1]=3 142 B12R1.371 COC(=O)CC1=CC=CC=C1I M23155 [0,1,0,0,1,0|0,0,1]=3 143 B12R1.371 COC(=O)CC1=CC=CC=C1O P39566 [0,1,0,0,1,0|0,0,1]=3 144 B12R1.371 COC(=O)CC1=NC=CC=C1Br C-2928 [0,1,0,0,1,0|1,0,1]=4 145 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 P36974 [0,1,0,0,0,1|0,0,2]=4 146 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [0,1,0,0,0,1|0,0,1]=3 147 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 P43132 [0,1,0,0,0,1|0,0,2]=4 148 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 P34864 [0,1,0,0,0,1|0,0,2]=4 149 B14R1.10 COC(=O)CC(=O)C1=CC=C(Br)C=C1 P41898 [0,2,0,0,0,0|0,0,1]=3 150 B14R1.10 COC(=O)CC(=O)C1=CC=C(C)C=C1 P39639 [0,2,0,0,0,0|0,0,1]=3 151 B14R1.10 COC(=O)CC(N)C1=CC=C(C)C=C1 M23006 [0,2,0,0,0,0|0,0,2]=4 152 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 P42110 [0,2,0,0,0,0|0,0,2]=4 153 B14R1.10 COC(=O)CC(N)C1=CC=C(F)C=C1 P40370 [0,2,0,0,0,0|0,0,2]=4 154 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 M23296 [0,2,0,0,0,0|0,0,2]=4 155 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(F)C=C1 P42210 [0,2,0,0,0,0|0,0,2]=4 156 B14R1.11 CCC(=O)OC(=O)C1=CC=CC(C)=C1 H-8411 [0,2,0,0,0,0|2,0,0]=4 157 B14R1.11 COC(=O)CC(=O)C1=CC(Br)=CN=C1 P39898 [0,2,0,0,0,0|1,0,1]=4 158 B14R1.11 COC(=O)CC(=O)C1=CC=CC(Br)=C1 P39011 [0,2,0,0,0,0|0,0,1]=3 159 B14R1.11 COC(=O)CC(=O)C1=CC=CC(C)=C1 P40009 [0,2,0,0,0,0|0,0,1]=3 160 B14R1.11 COC(=O)CC(=O)C1=CC=CC(Cl)=C1 P36930 [0,2,0,0,0,0|0,0,1]=3 161 B14R1.11 COC(=O)CC(=O)C1=CC=CC(F)=C1 P39284 [0,2,0,0,0,0|0,0,1]=3 162 B14R1.11 COC(=O)CC(N)C1=CC=CC(Br)=C1 M23059 [0,2,0,0,0,0|0,0,2]=4 163 B14R1.11 COC(=O)CC(N)C1=CC=CC(Cl)=C1 P39115 [0,2,0,0,0,0|0,0,2]=4 164 B14R1.11 COC(=O)CC(N)C1=CC=CC(F)=C1 M23065 [0,2,0,0,0,0|0,0,2]=4 165 B14R1.11 COC(=O)C[C@@H](N)C1=CC=CC(Cl)=C1 M23315 [0,2,0,0,0,0|0,0,2]=4 166 B14R1.29 CCOC(=O)CC(=O)C1=CC=CN=C1 P36964 [0,2,0,0,0,0|1,0,1]=4 167 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 G-6005 [0,2,0,0,0,0|1,0,1]=4 168 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 Q65906 [0,2,0,0,0,0|0,0,2]=4 169 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 P37294 [0,2,0,0,0,0|0,0,2]=4 170 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 P38711 [0,2,0,0,0,0|0,0,2]=4 171 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 P40680 [0,2,0,0,0,0|0,0,2]=4 172 B14R1.29 CCOC(=O)\C=C(/N)C1=NC=CC=C1 M23054 [0,2,0,0,0,0|1,0,0]=3 173 B14R1.85 COC(=O)C(C)C(=O)C1=CC=CC=C1 P39008 [0,2,0,0,0,0|0,0,1]=3 174 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 G-7455 [0,2,0,0,0,0|0,0,2]=4 175 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 G-7454 [0,2,0,0,0,0|0,0,2]=4 176 B14R1.587 COC(=O)CC(=O)C1=CC=CC=C1Br P39012 [0,2,0,0,0,0|0,0,1]=3 177 B14R1.587 COC(=O)CC(=O)C1=CC=CC=C1C P41144 [0,2,0,0,0,0|0,0,1]=3 178 B14R1.587 COC(=O)CC(=O)C1=CC=CC=C1Cl P39897 [0,2,0,0,0,0|0,0,1]=3 179 B14R1.587 COC(=O)CC(N)C1=CC=CC=C1Br M23007 [0,2,0,0,0,0|0,0,2]=4 180 B14R1.587 COC(=O)CC(N)C1=CC=CC=C1Cl P42468 [0,2,0,0,0,0|0,0,2]=4 181 B14R1.587 COC(=O)CC(N)C1=CC=CC=C1F M23010 [0,2,0,0,0,0|0,0,2]=4 182 B14R1.587 COC(=O)C[C@H](N)C1=CC=CC=C1C M22725 [0,2,0,0,0,0|0,0,2]=4 183 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 P36364 [0,2,0,0,0,0|1,0,1]=4 184 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 P34742 [0,2,0,0,0,0|0,0,2]=4 185 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 P37123 [0,2,0,0,0,0|0,0,2]=4 186 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Cl)C=C1 P38715 [0,2,0,0,0,0|0,0,2]=4 187 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 P36474 [0,2,0,0,0,0|0,0,2]=4 188 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 P36475 [0,2,0,0,0,0|0,0,2]=4 189 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 P36473 [0,2,0,0,0,0|0,0,2]=4 190 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 P39342 [0,2,0,0,0,0|1,0,1]=4 191 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 P51616 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.727 COC(=O)COC1=CC=C(F)C=C1F O32780 [0,2,0,0,0,0|1,0,1]=4 193 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 P36476 [0,2,0,0,0,0|0,0,2]=4 194 B14R1.32 CCOC(=O)CCC1=CC=CC(N)=C1 P34745 [0,2,0,0,0,0|0,0,2]=4 195 B14R1.32 CCOC(=O)CNC1=CC=CC(Cl)=C1 P39301 [0,2,0,0,0,0|1,0,1]=4 196 B14R1.77 COC(=O)COC1=CC=CC(C=O)=C1 O27914 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(Cl)=C1 Q65904 [0,2,0,0,0,0|0,0,2]=4 198 B14R1.135 COC(=O)[C@H](N)CC1=CC=CC(Cl)=C1 Q65903 [0,2,0,0,0,0|0,0,2]=4 199 B14R1.820 COC(=O)\C=C\C1=CC(O)=CC=C1O M15180 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br P34748 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br Q65982 [0,2,0,0,0,0|0,0,0]=2 202 B14R1.1007 COC(=O)[C@@H](N)CC1=CC=CC=C1C M22963 [0,2,0,0,0,0|0,0,2]=4 203 B14R1.1007 COC(=O)[C@@H](N)CC1=CC=CC=C1Cl P38006 [0,2,0,0,0,0|0,0,2]=4 204 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC P40118 [0,2,0,0,0,0|0,0,2]=4 205 B14R1.1031 COC(=O)[C@H](CN)CC1=CC=CC=C1 Q69025 [0,2,0,0,0,0|0,0,2]=4 206 B14R1.863 COC(=O)COC1=CC=CC=C1C=O P38237 [0,2,0,0,0,0|1,0,1]=4 207 B14R1.863 COC(=O)\C=C\C1=CC=CC=C1OC P34765 [0,2,0,0,0,0|0,0,0]=2 208 B12R1.77 C#CC1=CC=CC=C1C(=O)OC O27981 [0,0,1,1,0,0|0,0,2]=4 209 B12R1.77 C=CC1=CC=CC=C1C(=O)OC Q70127 [0,0,1,1,0,0|0,0,0]=2 210 B12R1.77 COC(=O)C1=CC=CC=C1CBr P39435 [0,0,1,1,0,0|1,0,1]=4 211 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Cl P39362 [0,0,1,1,0,0|2,0,0]=4 212 B12R1.354 COC(=O)C1=CC(Br)=CC=C1F Q67664 [0,0,1,1,0,0|2,0,0]=4 213 B12R1.354 COC(=O)C1=CC(C)=CC=C1Cl N24140 [0,0,1,1,0,0|1,0,1]=4 214 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1I N24306 [0,0,1,1,0,0|2,0,0]=4 215 B12R1.354 COC(=O)C1=CC(F)=CC=C1Cl Q68234 [0,0,1,1,0,0|2,0,0]=4 216 B12R1.354 COC(=O)C1=CC(I)=CC=C1Br Q68603 [0,0,1,1,0,0|2,0,0]=4 217 B12R1.354 COC(=O)C1=CC(I)=CC=C1F Q68001 [0,0,1,1,0,0|2,0,0]=4 218 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 O27992 [0,0,1,1,0,0|0,0,2]=4 219 B12R1.435 CCC1=CC(C(=O)OC)=CC=C1 O29108 [0,0,1,1,0,0|0,0,2]=4 220 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 Q62391 [0,0,1,1,0,0|2,0,0]=4 221 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 L18320 [0,0,1,1,0,0|2,0,0]=4 222 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 O30506 [0,0,1,1,0,0|2,0,0]=4 223 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 Q62439 [0,0,1,1,0,0|2,0,0]=4 224 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 Q67847 [1,0,0,1,0,0|0,1,1]=4 225 B12R2.1081 CC1=CN=CC2=C1C=CC=C2 O29973 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [1,0,0,1,0,0|0,0,2]=4 227 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [1,0,0,1,0,0|1,0,1]=4 228 B12R2.24 CC1=CC=C2N=CC=CC2=N1 G-5488 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.24 CC1=NC2=NC=CC=C2C=C1 A-951 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 C-3537 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [1,0,0,1,0,0|1,0,1]=4 232 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [1,0,0,1,0,0|1,0,1]=4 233 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [1,0,0,1,0,0|2,0,0]=4 235 B12R2.24 OC1=CC=C2N=CC=CC2=N1 M15495 [1,0,0,1,0,0|2,0,0]=4 236 B12R2.44 COC1=CC2=C(C=C1)OC=C2 L14993 [0,0,0,1,1,0|2,0,0]=4 237 B12R2.44 COC1=CC=C2NC=CC2=N1 10551 [0,0,0,1,1,0|2,0,0]=4 238 B12R2.44 COC1=NC2=C(C=CN2)C=C1 L13658 [0,0,0,1,1,0|2,0,0]=4 239 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,1,0,1|0,0,2]=4 240 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 L22347 [0,0,0,1,0,1|0,0,2]=4 241 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P50757 [0,0,0,1,0,1|0,0,2]=4 242 B14R2.95 COC(=O)C1=C2C=CC=CN2C=N1 P44239 [0,0,0,1,0,1|1,0,0]=3 243 B14R2.95 COC(=O)C1=C2C=CC=CN2N=C1 A-879 [0,0,0,1,0,1|1,0,0]=3 244 B14R2.95 COC(=O)C1=CN=C2C=NC=CN12 L21888 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.95 COC(=O)C1=CNC2=C1C=CN=C2 P44208 [0,0,0,1,0,1|1,0,0]=3 246 B14R2.95 COC(=O)C1=CNC2=C1C=NC=C2 M15100 [0,0,0,1,0,1|1,0,0]=3 247 B14R2.95 COC(=O)C1=CNC2=C1N=CC=C2 P44463 [0,0,0,1,0,1|1,0,0]=3 248 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 C-2265 [0,0,0,1,0,1|1,0,0]=3 249 B14R2.95 COC(=O)C1=CNC2=NC=CN=C12 P46241 [0,0,0,1,0,1|2,0,0]=4 250 B14R2.95 COC(=O)C1=CNC2=NC=NC=C12 Q51879 [0,0,0,1,0,1|2,0,0]=4 251 B14R2.95 COC(=O)C1=CSC2=C1C=CN=C2 O29705 [0,0,0,1,0,1|1,0,0]=3 252 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 C-2143 [0,0,0,1,0,1|1,0,0]=3 253 B14R2.95 COC(=O)C1=NNC2=C1N=CC=C2 F-4402 [0,0,0,1,0,1|2,0,0]=4 254 B14R2.95 COC(=O)C1=NNC2=CC=NC=C21 L22001 [0,0,0,1,0,1|2,0,0]=4 255 B14R2.95 COC(=O)C1=NNC2=CN=CC=C21 L21998 [0,0,0,1,0,1|2,0,0]=4 256 B14R2.95 COC(=O)C1=NNC2=NC=CC=C21 C-3663 [0,0,0,1,0,1|2,0,0]=4 257 B14R2.95 NCC(=O)C1=CNC2=C1C=CC=C2 O32741 [0,0,0,1,0,1|2,0,0]=4 258 B14R2.4514 CN1C(Br)=CN=C1C2=CC=CC=C2 M15626 [0,0,0,1,0,1|2,0,0]=4 259 B14R2.4514 CN1C(Cl)=CN=C1C2=CC=CC=C2 M15627 [0,0,0,1,0,1|2,0,0]=4 260 B14R2.4514 CN1C(I)=CN=C1C2=CC=CC=C2 H-8667 [0,0,0,1,0,1|2,0,0]=4 261 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [0,1,0,1,0,0|1,0,1]=4 262 B14R2.1019 COC1=CC(Br)=C2C=CC=CC2=C1 Q70006 [0,1,0,1,0,0|1,0,0]=3 263 B14R2.7724 CN1C(=O)C=C(Br)C2=C1C=CC=C2 P51655 [0,1,0,1,0,0|1,0,0]=3 264 B14R2.134 COC1=CC2=C(C=C1)C=NC(C)=C2 Q65388 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.134 COC1=CC2=C(C=C1)C=NC(Cl)=C2 O29591 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.134 COC1=CC2=C(C=CC(Br)=C2)C=N1 O29932 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 O34040 [0,1,0,1,0,0|1,0,0]=3 268 B14R2.142 COC1=CC2=C(C=CC=C2Br)C=N1 O29827 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.142 COC1=CC2=C(C=CN=C2Cl)C=C1 O29858 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.142 COC1=CC2=C(C=CN=C2I)C=C1 O29523 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 M15824 [0,1,0,1,0,0|1,0,0]=3 272 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=N1 M15628 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=N1 L14247 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.142 COC1=CC=C2N=CC=C(N)C2=N1 P51137 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.142 COC1=NC2=C(O)C=CN=C2C=C1 M15616 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=N1 K10895 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 O30609 [0,1,0,1,0,0|1,0,0]=3 278 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 O30559 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 P39977 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 Q65489 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 H-8284 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 C-2263 [0,1,0,1,0,0|1,0,0]=3 283 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 P44266 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.972 COC(=O)C1=CC2=CN=CC=C2N1 P44380 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 L21605 [0,1,0,1,0,0|1,0,0]=3 286 B14R2.972 COC(=O)C1=CC2=NC=CC=C2S1 Q52148 [0,1,0,1,0,0|1,0,0]=3 287 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 O34482 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.972 COC(=O)C1=NC2=CC=CN=C2N1 Q63490 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 O34073 [0,1,0,1,0,0|1,0,0]=3 290 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)N1 P37208 [0,1,0,1,0,0|0,0,2]=4 291 B14R2.972 O=CC(=O)C1=CC2=CC=CC=C2O1 P41698 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 O31738 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.781 C[C@@H](N)C1=CC2=CC=CC=C2C=C1 Q52610 [0,1,0,1,0,0|2,0,0]=4 294 B14R2.92 COC1=C(N)C2=C(C=C1)C=NC=C2 O29277 [0,1,0,1,0,0|2,0,0]=4 295 B14R2.92 COC1=C(N)C2=C(C=CC=N2)C=C1 K10872 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.92 COC1=C(N)C2=C(C=CN=C2)C=C1 O32087 [0,1,0,1,0,0|2,0,0]=4 297 B14R2.92 COC1=CC=C2N=CC=CC2=C1N O30138 [0,1,0,1,0,0|2,0,0]=4 298 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 M15543 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=NC=C2 O31812 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [1,0,0,0,1,0|1,0,1]=4 301 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [1,0,0,0,1,0|1,0,0]=3 302 B10R1.66 O=C(O)\C=C\C1=CNN=C1 Q60839 [1,0,0,0,1,0|2,0,0]=4 303 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,0,0,0,2,0|1,0,1]=4 304 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,0,0,0,2,0|2,0,0]=4 305 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,0,0,0,2,0|2,0,0]=4 306 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,0,0,0,2,0|2,0,0]=4 307 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [0,0,0,0,2,0|2,0,0]=4 308 B10R1.15 COC(=O)C1=CC=NC=N1 C-2227 [0,0,0,0,2,0|2,0,0]=4 309 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [0,0,0,0,2,0|2,0,0]=4 310 B10R1.15 COC(=O)C1=NC=CC=N1 C-3283 [0,0,0,0,2,0|2,0,0]=4 311 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 P39487 [0,0,0,0,0,2|0,0,2]=4