0 B14R2.781 CC(=O)C1=CC2=C(C=C1)NCCC2 T54634 [0,0,0,0,0,0|1,0,3]=4 1 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 D69218 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 N64544 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.781 CC(=O)C1=CC2=NC=CN=C2C=C1 Q36986 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 Q63133 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 CC(C)C1=CC=C2C=NC=CC2=C1 P63154 [0,0,0,0,0,0|2,0,1]=3 6 B14R2.781 C[C@@H](N)C1=CC2=CC=CC=C2C=C1 N23445 [0,0,0,0,0,0|1,0,1]=2 7 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 N22955 [0,0,0,0,0,0|1,0,1]=2 8 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 N55782 [0,0,0,0,0,0|1,0,1]=2 9 B14R2.781 FC(F)C1=CC2=NC=CC=C2C=C1 D61240 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.781 N=C(N)C1=NC2=CC=CC=C2C=C1 Q36993 [0,0,0,0,0,0|3,0,0]=3 11 B14R2.781 N=C(N)C1=NC2=CC=NC=C2C=C1 N52222 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 N69496 [0,0,0,0,0,0|1,0,0]=1 13 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 I3901 [0,0,0,0,0,0|2,0,0]=2 14 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 Q9606 [0,0,0,0,0,0|2,0,0]=2 15 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 Q53568 [0,0,0,0,0,0|2,0,0]=2 16 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q4615 [0,0,0,0,0,0|2,0,0]=2 17 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 N50816 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 Q9590 [0,0,0,0,0,0|2,0,0]=2 19 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 N7542 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 N64834 [0,0,0,0,0,0|3,0,0]=3 21 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 Q0162 [0,0,0,0,0,0|3,0,0]=3 22 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 Q16429 [0,0,0,0,0,0|2,0,0]=2 23 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 Q50814 [0,0,0,0,0,0|3,0,0]=3 24 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 Q7238 [0,0,0,0,0,0|3,0,0]=3 25 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 Q67454 [0,0,0,0,0,0|3,0,0]=3 26 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 N12774 [0,0,0,0,0,0|3,0,0]=3 27 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 N22131 [0,0,0,0,0,0|3,0,0]=3 28 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 N50815 [0,0,0,0,0,0|3,0,0]=3 29 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 N50810 [0,0,0,0,0,0|3,0,0]=3 30 B14R2.781 O=[N+]([O-])C1=CC2=NC=CC=C2C=C1 N24538 [0,0,0,0,0,0|3,0,0]=3 31 B14R2.781 O=[N+]([O-])C1=CC2=NC=CN=C2C=C1 N3670 [0,0,0,0,0,0|4,0,0]=4 32 B14R2.781 O=[N+]([O-])C1=CC2=NC=NC=C2C=C1 N47644 [0,0,0,0,0,0|4,0,0]=4 33 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 N4700 [0,0,0,0,0,0|2,0,1]=3 34 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 Q5136 [0,0,0,0,0,0|3,0,1]=4 35 B14R2.781 OB(O)C1=CC2=CC=CN=C2C=C1 Q51468 [0,0,0,0,0,0|3,0,1]=4 36 B14R2.781 OB(O)C1=CC2=CC=NC=C2C=C1 I5314 [0,0,0,0,0,0|3,0,1]=4 37 B14R2.781 OB(O)C1=CC2=CN=CC=C2C=C1 I5551 [0,0,0,0,0,0|3,0,1]=4 38 B14R2.781 OB(O)C1=CC2=NC=CC=C2C=C1 Q69667 [0,0,0,0,0,0|3,0,1]=4 39 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [1,0,0,0,0,0|1,0,1]=3 40 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 B53720 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 E67694 [1,0,0,0,0,0|0,0,2]=3 43 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 E63866 [1,0,0,0,0,0|1,0,2]=4 44 B13R2.57 C#CC1=CC=C2N=CC=CC2=C1 E55176 [1,0,0,0,0,0|1,0,2]=4 45 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [1,0,0,0,0,0|1,0,1]=3 46 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [1,0,0,0,0,0|2,0,0]=3 47 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [1,0,0,0,0,0|2,0,0]=3 48 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [1,0,0,0,0,0|2,0,0]=3 49 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [1,0,0,0,0,0|2,0,0]=3 50 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [1,0,0,0,0,0|2,0,0]=3 51 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [1,0,0,0,0,0|1,0,1]=3 52 B13R2.57 ClCC1=CC2=CC=CC=C2C=N1 C38262 [1,0,0,0,0,0|2,0,1]=4 53 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [1,0,0,0,0,0|2,0,1]=4 54 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 Q53424 [1,0,0,0,0,0|2,0,1]=4 55 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 C3747 [1,0,0,0,0,0|2,0,1]=4 56 B13R2.57 N#CC1=CC2=CC=CN=C2C=C1 Q53423 [1,0,0,0,0,0|2,0,1]=4 57 B13R2.57 N#CC1=CC2=CC=NC=C2C=C1 Q9593 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.57 N#CC1=CC2=CN=CC=C2C=C1 Q9594 [1,0,0,0,0,0|2,0,1]=4 59 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 Q3937 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [1,0,0,0,0,0|1,0,1]=3 61 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [1,0,0,0,0,0|1,0,1]=3 62 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 I32057 [1,0,0,0,0,0|2,0,1]=4 63 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 Q54084 [1,0,0,0,0,0|2,0,1]=4 64 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 Q61339 [1,0,0,0,0,0|2,0,1]=4 65 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 N39648 [1,0,0,0,0,0|2,0,0]=3 66 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 H51702 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [1,0,0,0,0,0|0,0,0]=1 68 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [1,0,0,0,0,0|1,0,0]=2 69 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 Q1105 [1,0,0,0,0,0|1,0,0]=2 70 B13R2.57 O=CC1=CC2=NC=CN=C2C=C1 Q3628 [1,0,0,0,0,0|2,0,0]=3 71 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 F1406 [1,0,0,0,0,0|2,0,0]=3 72 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [1,0,0,0,0,0|0,0,2]=3 73 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 I38800 [1,0,0,0,0,0|1,0,2]=4 74 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 Q53901 [1,0,0,0,0,0|1,0,2]=4 75 B15R2.627 CC1=C([N+](=O)[O-])C=NC2=CC=CC=C21 M53648 [0,1,0,0,0,0|3,0,0]=4 76 B15R2.627 NC(=O)C1=C(N)C2=CC=CC=C2N=N1 A51444 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 A55352 [0,1,0,0,0,0|1,0,0]=2 78 B15R2.627 NC1=C([N+](=O)[O-])C=NC2=CC=CC=C21 N66278 [0,1,0,0,0,0|3,0,0]=4 79 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 B55199 [0,1,0,0,0,0|1,0,0]=2 80 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O X19144 [0,1,0,0,0,0|2,0,0]=3 81 B15R2.627 O=C(O)C1=COC2=C(C=CC=C2)C1=O X68823 [0,1,0,0,0,0|2,0,0]=3 82 B15R2.627 O=[N+]([O-])C1=C(Cl)C2=CC=CC=C2N=C1 C38596 [0,1,0,0,0,0|3,0,0]=4 83 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2C=C1 N53574 [0,1,0,0,0,0|2,0,0]=3 84 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2N=C1 N38471 [0,1,0,0,0,0|3,0,0]=4 85 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N A54266 [0,1,0,0,0,0|1,0,0]=2 86 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O A55353 [0,1,0,0,0,0|1,0,0]=2 87 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O X12282 [0,1,0,0,0,0|2,0,0]=3 88 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H68929 [0,1,0,0,0,0|1,0,0]=2 89 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl C25139 [0,1,0,0,0,0|2,0,0]=3 90 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O X50830 [0,1,0,0,0,0|3,0,0]=4 91 B15R2.984 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1Cl C61313 [0,1,0,0,0,0|3,0,0]=4 92 B15R2.1601 CC[C@@H](N)C1=CC2=CC=CC=C2C=C1 N57415 [0,1,0,0,0,0|1,0,1]=3 93 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 N57416 [0,1,0,0,0,0|1,0,1]=3 94 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=C1 M55608 [0,1,0,0,0,0|0,0,0]=1 95 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 M55365 [0,1,0,0,0,0|1,0,0]=2 96 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 M55359 [0,1,0,0,0,0|1,0,0]=2 97 B15R2.1601 COC(=O)C1=CC2=CC=CN=C2C=C1 M55361 [0,1,0,0,0,0|1,0,0]=2 98 B15R2.1601 COC(=O)C1=CC2=CC=NC=C2C=C1 M60882 [0,1,0,0,0,0|1,0,0]=2 99 B15R2.1601 COC(=O)C1=CC2=CC=NN=C2C=C1 M32046 [0,1,0,0,0,0|2,0,0]=3 100 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2C=C1 M67598 [0,1,0,0,0,0|1,0,0]=2 101 B15R2.1601 COC(=O)C1=CC2=NC=CN=C2C=C1 M53657 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 M55358 [0,1,0,0,0,0|1,0,0]=2 103 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 M53659 [0,1,0,0,0,0|2,0,0]=3 104 B15R2.4441 C[Sn](C)(C)C1=CC2=CC=NC=C2C=C1 T5860 [0,1,0,0,0,0|3,0,0]=4 105 B15R2.4441 C[Sn](C)(C)C1=CC2=CN=CC=C2C=C1 T5864 [0,1,0,0,0,0|3,0,0]=4 106 B15R2.4441 F[B-](F)(F)C1=CC2=CC=CC=C2C=C1 P68677 [0,1,0,0,0,0|3,0,0]=4 107 B15R2.7174 CC(=O)C1=CC=C2N=CC(Br)=CC2=C1 B55288 [0,1,0,0,0,0|1,0,0]=2 108 B15R2.7174 NC(=O)C1=CN=C2C=CC(Br)=CC2=C1 B53532 [0,1,0,0,0,0|2,0,0]=3 109 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C53606 [0,1,0,0,0,0|2,0,1]=4 110 B15R2.7174 O=C(O)C1=CC2=CC(O)=CN=C2C=C1 H53578 [0,1,0,0,0,0|2,0,0]=3 111 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 B61312 [0,1,0,0,0,0|1,0,0]=2 112 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=N1 B53451 [0,1,0,0,0,0|2,0,0]=3 113 B15R2.7174 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1 B25451 [0,1,0,0,0,0|2,0,0]=3 114 B15R2.7174 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1 C53463 [0,1,0,0,0,0|2,0,0]=3 115 B15R2.7174 O=C(O)C1=NC=C2C=CC(Br)=CC2=C1 B38195 [0,1,0,0,0,0|2,0,0]=3 116 B15R2.7174 O=[N+]([O-])C1=CC=C2N=CC(Br)=CC2=C1 B50675 [0,1,0,0,0,0|3,0,0]=4 117 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 A61707 [0,1,0,0,0,0|0,0,0]=1 118 B15R2.7180 CC(=O)C1=CC=C2C=C(Br)C=CC2=C1 B56547 [0,1,0,0,0,0|0,0,0]=1 119 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 M4771 [0,1,0,0,0,0|2,0,0]=3 120 B15R2.7180 CC1=CC=C2C=C([N+](=O)[O-])C=CC2=N1 M61202 [0,1,0,0,0,0|3,0,0]=4 121 B15R2.7180 CC1=NC2=CC=C(N(C)C)C=C2C=C1 T67385 [0,1,0,0,0,0|3,0,0]=4 122 B15R2.7180 N=C(N)C1=CC=C2C=C(O)C=CC2=C1 H56645 [0,1,0,0,0,0|2,0,0]=3 123 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=C1 A55355 [0,1,0,0,0,0|1,0,0]=2 124 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 H21704 [0,1,0,0,0,0|1,0,0]=2 125 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 B0909 [0,1,0,0,0,0|1,0,0]=2 126 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=N1 B53449 [0,1,0,0,0,0|2,0,0]=3 127 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 C55207 [0,1,0,0,0,0|1,0,0]=2 128 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=N1 C53462 [0,1,0,0,0,0|2,0,0]=3 129 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=N1 F53469 [0,1,0,0,0,0|2,0,0]=3 130 B15R2.7180 O=C(O)C1=CN=C2C=C(Br)C=CC2=C1 B26251 [0,1,0,0,0,0|2,0,0]=3 131 B15R2.7180 O=C(O)C1=CN=C2C=C(Cl)C=CC2=N1 C59625 [0,1,0,0,0,0|3,0,0]=4 132 B15R2.7180 O=C(O)C1=NC2=CC=C(O)C=C2C=C1 H25229 [0,1,0,0,0,0|2,0,0]=3 133 B15R2.7180 O=C(O)C1=NC=C2C=C(Cl)C=NC2=C1 C59745 [0,1,0,0,0,0|3,0,0]=4 134 B15R2.7180 O=C1C=CC2=C(C=CC(C(=O)O)=C2)O1 X53494 [0,1,0,0,0,0|2,0,0]=3 135 B15R2.7180 O=C1C=CC2=C(C=CC([N+](=O)[O-])=C2)O1 N68312 [0,1,0,0,0,0|3,0,0]=4 136 B15R2.7180 OB(O)C1=CC=C2C=C(O)C=CC2=C1 H3730 [0,1,0,0,0,0|2,0,1]=4 137 B15R2.13598 CC(=O)C1=CC2=CC=CC(C)=C2N=C1 M60157 [0,1,0,0,0,0|1,0,0]=2 138 B15R2.13598 NC1=C2N=CC(C(=O)O)=CC2=CC=C1 A53661 [0,1,0,0,0,0|2,0,0]=3 139 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CN2 X38988 [0,1,0,0,0,0|2,0,0]=3 140 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)NC=N2 X50829 [0,1,0,0,0,0|3,0,0]=4 141 B15R2.13598 O=C(O)C1=CC2=NC=CC(O)=C2C=C1 H53579 [0,1,0,0,0,0|2,0,0]=3 142 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 B55200 [0,1,0,0,0,0|1,0,0]=2 143 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=N1 B53447 [0,1,0,0,0,0|2,0,0]=3 144 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 C55206 [0,1,0,0,0,0|1,0,0]=2 145 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=N1 C53461 [0,1,0,0,0,0|2,0,0]=3 146 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 B53454 [0,1,0,0,0,0|2,0,0]=3 147 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 B53459 [0,1,0,0,0,0|2,0,0]=3 148 B15R2.13598 O=C(O)C1=NC2=CC=CC(O)=C2C=C1 X29672 [0,1,0,0,0,0|2,0,0]=3 149 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(O)=C1 H64302 [0,1,0,0,0,0|1,0,0]=2 150 B15R2.14951 O=C(O)C1=CC2=CC=CN=C2C(O)=C1 H53580 [0,1,0,0,0,0|2,0,0]=3 151 B15R2.14951 O=C(O)C1=CC2=NC=CN=C2C(Br)=C1 B37035 [0,1,0,0,0,0|3,0,0]=4 152 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Br)=C1 B53446 [0,1,0,0,0,0|2,0,0]=3 153 B15R2.14951 O=[N+]([O-])C1=CC2=CC=CN=C2C(Br)=C1 B50680 [0,1,0,0,0,0|3,0,0]=4 154 B15R2.14951 O=[N+]([O-])C1=CC2=CC=CN=C2C(O)=C1 N50820 [0,1,0,0,0,0|3,0,0]=4 155 B15R2.61353 NC(=O)C1=CC2=C(C=C1)NC=NC2=O X51145 [0,1,0,0,0,0|3,0,0]=4 156 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(Br)C2=N1 B53453 [0,1,0,0,0,0|2,0,0]=3 157 B15R2.61353 O=C(O)C1=CC=C2C=NC=C(Br)C2=C1 B27845 [0,1,0,0,0,0|2,0,0]=3 158 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 B36819 [0,1,0,0,0,0|2,0,0]=3 159 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 H61954 [0,1,0,0,0,0|2,0,0]=3 160 B15R2.61353 O=C1NC=CC2=C1C=C([N+](=O)[O-])C=C2 N50825 [0,1,0,0,0,0|3,0,0]=4 161 B15R2.61353 O=[N+]([O-])C1=CC2=C(O)C=CN=C2C=C1 N63886 [0,1,0,0,0,0|3,0,0]=4 162 B15R2.61353 O=[N+]([O-])C1=CC=C2N=CC=C(Br)C2=C1 B50676 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 D68997 [0,0,1,0,0,0|3,0,0]=4 164 B13R1.90 COC1=C(C=CC(=O)O)C=CC=C1 M39590 [0,0,1,0,0,0|2,0,1]=4 165 B13R1.90 O=CC1=C(C=CC(=O)O)C=CC=C1 F53805 [0,0,1,0,0,0|2,0,0]=3 166 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [0,0,1,0,0,0|2,0,1]=4 167 B13R2.72 CC(=O)C1=C2C=CC=CN2N=C1 P67372 [0,0,0,0,1,0|2,0,0]=3 168 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 K51361 [0,0,0,0,1,0|2,0,0]=3 169 B13R2.72 CC(=O)C1=CN=C2C=NC=CN12 K25375 [0,0,0,0,1,0|3,0,0]=4 170 B13R2.72 CC(=O)C1=CN=C2NC=CC=C12 P0773 [0,0,0,0,1,0|2,0,0]=3 171 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 I24984 [0,0,0,0,1,0|1,0,0]=2 172 B13R2.72 CC(=O)C1=CNC2=C1C=CN=C2 P51363 [0,0,0,0,1,0|2,0,0]=3 173 B13R2.72 CC(=O)C1=CNC2=C1C=NC=C2 P51364 [0,0,0,0,1,0|2,0,0]=3 174 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 K9334 [0,0,0,0,1,0|2,0,0]=3 175 B13R2.72 CC(=O)C1=NNC2=C1C=CC=N2 P48400 [0,0,0,0,1,0|3,0,0]=4 176 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 K52542 [0,0,0,0,1,0|1,0,2]=4 177 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 K51355 [0,0,0,0,1,0|2,0,0]=3 178 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 K51345 [0,0,0,0,1,0|2,0,0]=3 179 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 K26321 [0,0,0,0,1,0|3,0,0]=4 180 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 I7958 [0,0,0,0,1,0|3,0,0]=4 181 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 P11236 [0,0,0,0,1,0|3,0,0]=4 182 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 P1023 [0,0,0,0,1,0|3,0,0]=4 183 B13R2.72 O=C(O)C1=CNC2=C1C=CN=C2 P7859 [0,0,0,0,1,0|3,0,0]=4 184 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 A7966 [0,0,0,0,1,0|3,0,0]=4 185 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 P1670 [0,0,0,0,1,0|3,0,0]=4 186 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 B50992 [0,0,0,0,1,0|2,0,0]=3 187 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 B37963 [0,0,0,0,1,0|2,0,0]=3 188 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 I1543 [0,0,0,0,1,0|3,0,0]=4 189 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=C2 N47873 [0,0,0,0,1,0|3,0,0]=4 190 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 K24116 [0,0,0,0,1,0|1,0,0]=2 191 B13R2.430 CC(=O)C1=CC2=C(C=C1)NN=C2 I5698 [0,0,0,0,1,0|2,0,0]=3 192 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 D65080 [0,0,0,0,1,0|1,0,2]=4 193 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,0,0,0,1,0|2,0,1]=4 194 B13R2.430 CC(=O)C1=CN2C=CN=C2C=C1 K51362 [0,0,0,0,1,0|2,0,0]=3 195 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 P0329 [0,0,0,0,1,0|2,0,0]=3 196 B13R2.430 NC(=O)C1=CC2=C(C=C1)C=NN2 K48391 [0,0,0,0,1,0|3,0,0]=4 197 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CN2 B48398 [0,0,0,0,1,0|3,0,0]=4 198 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 I3443 [0,0,0,0,1,0|3,0,0]=4 199 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 B4612 [0,0,0,0,1,0|3,0,0]=4 200 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 B20351 [0,0,0,0,1,0|3,0,0]=4 201 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 B47721 [0,0,0,0,1,0|3,0,0]=4 202 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 I5516 [0,0,0,0,1,0|2,0,0]=3 203 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 I3442 [0,0,0,0,1,0|3,0,0]=4 204 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 B50993 [0,0,0,0,1,0|2,0,0]=3 205 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 B20156 [0,0,0,0,1,0|3,0,0]=4 206 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 B60088 [0,0,0,0,1,0|3,0,0]=4 207 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 B64521 [0,0,0,0,1,0|2,0,0]=3 208 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 B5791 [0,0,0,0,1,0|3,0,0]=4 209 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 I4654 [0,0,0,0,1,0|2,0,0]=3 210 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 B29936 [0,0,0,0,1,0|2,0,0]=3 211 B13R2.430 O=C(O)C1=CC2=C(C=CS2)N=C1 T12497 [0,0,0,0,1,0|3,0,0]=4 212 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 P4029 [0,0,0,0,1,0|3,0,0]=4 213 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 P10748 [0,0,0,0,1,0|3,0,0]=4 214 B13R2.430 O=C(O)C1=CC2=CN=CN2C=C1 K49686 [0,0,0,0,1,0|3,0,0]=4 215 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 I0355 [0,0,0,0,1,0|3,0,0]=4 216 B13R2.430 O=C(O)C1=CN2C=CC=C2C=C1 K51178 [0,0,0,0,1,0|2,0,0]=3 217 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 I0347 [0,0,0,0,1,0|3,0,0]=4 218 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 A14875 [0,0,0,0,1,0|3,0,0]=4 219 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 A0056 [0,0,0,0,1,0|3,0,0]=4 220 B13R2.430 O=C(O)C1=CN=C2SC=CC2=C1 T29526 [0,0,0,0,1,0|3,0,0]=4 221 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 A7905 [0,0,0,0,1,0|3,0,0]=4 222 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 P0213 [0,0,0,0,1,0|3,0,0]=4 223 B13R2.430 O=C(O)C1=NC=C2C=CNC2=C1 A13730 [0,0,0,0,1,0|3,0,0]=4 224 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 P32319 [0,0,0,0,1,0|3,0,0]=4 225 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 F47727 [0,0,0,0,1,0|3,0,0]=4 226 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OC=C2 N47724 [0,0,0,0,1,0|3,0,0]=4 227 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=C2 N47720 [0,0,0,0,1,0|3,0,0]=4 228 B13R2.430 O=[N+]([O-])C1=CC2=C(C=CN2)C=C1 N14972 [0,0,0,0,1,0|3,0,0]=4 229 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,0,0,0,1,0|1,0,0]=2 230 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,0,0,0,1,0|1,0,0]=2 231 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,0,0,0,1,0|1,0,0]=2 232 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,0,0,0,1,0|2,0,0]=3 233 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,0,0,0,1,0|2,0,0]=3 234 B13R2.435 NC(=O)C1=CC2=CC=CNC2=N1 P29771 [0,0,0,0,1,0|3,0,0]=4 235 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,0,0,0,1,0|3,0,0]=4 236 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,0,0,0,1,0|2,0,0]=3 237 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 B36620 [0,0,0,0,1,0|2,0,0]=3 238 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 A12533 [0,0,0,0,1,0|3,0,0]=4 239 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 T0447 [0,0,0,0,1,0|3,0,0]=4 240 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 P9023 [0,0,0,0,1,0|3,0,0]=4 241 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 F8714 [0,0,0,0,1,0|3,0,0]=4 242 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 P0055 [0,0,0,0,1,0|3,0,0]=4 243 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 T12732 [0,0,0,0,1,0|3,0,0]=4 244 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 K3713 [0,0,0,0,1,0|3,0,0]=4 245 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 P47888 [0,0,0,0,1,0|3,0,0]=4 246 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,0,0,0,1,0|3,0,0]=4 247 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,0,0,0,1,0|3,0,0]=4 248 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 P47887 [0,0,0,0,1,0|3,0,0]=4 249 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,0,0,0,1,0|3,0,0]=4 250 B15R2.1668 CC(=O)NC1=CC2=CC=CN=C2C=C1 Q54270 [0,0,0,0,0,1|1,0,0]=2 251 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 D55301 [0,0,0,0,0,1|2,0,1]=4 252 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 N68939 [0,0,0,0,0,1|1,0,0]=2 253 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 Q55357 [0,0,0,0,0,1|2,0,0]=3 254 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [1,0,1,0,0,0|1,0,1]=4 255 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [1,0,1,0,0,0|2,0,0]=4 256 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [1,0,1,0,0,0|2,0,0]=4 257 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,0,1,0,0,0|2,0,0]=4 258 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [1,0,1,0,0,0|2,0,0]=4 259 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [1,0,1,0,0,0|1,0,1]=4 260 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 A52430 [1,0,1,0,0,0|1,0,1]=4 261 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [2,0,0,0,0,0|1,0,0]=3 262 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [2,0,0,0,0,0|2,0,0]=4 263 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 B4779 [2,0,0,0,0,0|2,0,0]=4 264 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 B3878 [2,0,0,0,0,0|2,0,0]=4 265 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 B4922 [2,0,0,0,0,0|2,0,0]=4 266 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 B23905 [2,0,0,0,0,0|2,0,0]=4 267 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [2,0,0,0,0,0|2,0,0]=4 268 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [2,0,0,0,0,0|1,0,0]=3 269 B12R2.24 CC1=CC=C2N=CC=NC2=C1 M51337 [2,0,0,0,0,0|2,0,0]=4 270 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [2,0,0,0,0,0|2,0,0]=4 271 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [2,0,0,0,0,0|2,0,0]=4 272 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [2,0,0,0,0,0|2,0,0]=4 273 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [2,0,0,0,0,0|2,0,0]=4 274 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 C50851 [2,0,0,0,0,0|2,0,0]=4 275 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 C9357 [2,0,0,0,0,0|2,0,0]=4 276 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 C9358 [2,0,0,0,0,0|2,0,0]=4 277 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 C50852 [2,0,0,0,0,0|2,0,0]=4 278 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [2,0,0,0,0,0|1,0,0]=3 279 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [2,0,0,0,0,0|2,0,0]=4 280 B12R2.24 FC1=CC2=CC=CN=C2C=C1 F50853 [2,0,0,0,0,0|2,0,0]=4 281 B12R2.24 FC1=CC2=CN=CC=C2C=C1 F9904 [2,0,0,0,0,0|2,0,0]=4 282 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [2,0,0,0,0,0|1,0,0]=3 283 B12R2.24 IC1=CC2=CC=CN=C2C=C1 K18700 [2,0,0,0,0,0|2,0,0]=4 284 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [2,0,0,0,0,0|1,0,0]=3 285 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [2,0,0,0,0,0|2,0,0]=4 286 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q51336 [2,0,0,0,0,0|2,0,0]=4 287 B12R2.24 NC1=CC=C2C=CC=NC2=C1 Q52219 [2,0,0,0,0,0|2,0,0]=4 288 B12R2.24 NC1=CC=C2C=CN=CC2=C1 A3873 [2,0,0,0,0,0|2,0,0]=4 289 B12R2.24 NC1=CC=C2C=NC=CC2=C1 A3872 [2,0,0,0,0,0|2,0,0]=4 290 B12R2.24 NC1=CC=C2N=CC=CC2=C1 A67851 [2,0,0,0,0,0|2,0,0]=4 291 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [2,0,0,0,0,0|2,0,0]=4 292 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [2,0,0,0,0,0|2,0,0]=4 293 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [2,0,0,0,0,0|2,0,0]=4 294 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [2,0,0,0,0,0|1,0,1]=4 295 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [2,0,0,0,0,0|1,0,1]=4 296 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [2,0,0,0,0,0|1,0,1]=4 297 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [2,0,0,0,0,0|1,0,1]=4 298 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [2,0,0,0,0,0|1,0,1]=4 299 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [2,0,0,0,0,0|1,0,0]=3 300 B14R1.419 O=C(O)C=CC1=CC=C(C(=O)O)C=C1 C53817 [0,1,1,0,0,0|2,0,0]=4 301 B14R1.756 COC(=O)C(=O)C=CC1=CC=CC=C1 M54350 [0,1,1,0,0,0|1,0,0]=3 302 B14R1.5389 C=CCC1=C(O)C=CC(C(C)=O)=C1O A64070 [0,1,1,0,0,0|1,0,1]=4 303 B14R1.1031 COC(=O)C(C#N)=CC1=CC=CC=C1 M55362 [0,1,1,0,0,0|1,0,1]=4 304 B14R1.43 C=CC1=C(C(=O)O)C=CC(C(=O)O)=C1 V53816 [0,1,1,0,0,0|2,0,0]=4 305 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 B55419 [1,1,0,0,0,0|1,0,0]=3 306 B14R2.92 COC1=C(Br)C2=NC=CC=C2C=C1 B28659 [1,1,0,0,0,0|2,0,0]=4 307 B14R2.92 COC1=C(Cl)C2=NC=CC=C2C=C1 C53786 [1,1,0,0,0,0|2,0,0]=4 308 B14R2.92 COC1=C([Mg+])C2=CC=CC=C2C=C1 M31719 [1,1,0,0,0,0|1,0,0]=3 309 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 A55219 [1,1,0,0,0,0|1,0,1]=4 310 B14R2.92 NC1=C(C=O)C=CC2=CC=CN=C21 A53643 [1,1,0,0,0,0|1,0,0]=3 311 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 B55211 [1,1,0,0,0,0|0,0,0]=2 312 B14R2.92 O=CC1=C(Cl)C2=CC=CC=C2N=C1 C63922 [1,1,0,0,0,0|1,0,0]=3 313 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 H62030 [1,1,0,0,0,0|0,0,0]=2 314 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O X53493 [1,1,0,0,0,0|1,0,0]=3 315 B14R2.112 CNCC1=CC2=CC=CC=C2C=C1 M55784 [1,1,0,0,0,0|0,0,1]=3 316 B14R2.112 N#CCC1=CC2=CC=CC=C2C=C1 N9380 [1,1,0,0,0,0|0,0,2]=4 317 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 H54402 [1,1,0,0,0,0|1,0,1]=4 318 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 M53928 [1,1,0,0,0,0|2,0,0]=4 319 B14R2.134 COC1=CC2=CC(C)=NC=C2C=C1 M37765 [1,1,0,0,0,0|2,0,0]=4 320 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 M38755 [1,1,0,0,0,0|1,0,0]=3 321 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 M54404 [1,1,0,0,0,0|2,0,0]=4 322 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 B37062 [1,1,0,0,0,0|2,0,0]=4 323 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 B37535 [1,1,0,0,0,0|2,0,0]=4 324 B14R2.134 COC1=NC2=CC(N)=CC=C2C=C1 M52287 [1,1,0,0,0,0|2,0,0]=4 325 B14R2.134 N#CC1=CC=C2C=CC(O)=CC2=C1 H55194 [1,1,0,0,0,0|1,0,1]=4 326 B14R2.134 O=CC1=CN=C2C=CC(Br)=CC2=C1 B53475 [1,1,0,0,0,0|1,0,0]=3 327 B14R2.134 O=CC1=CN=C2C=CC(Cl)=CC2=C1 C53479 [1,1,0,0,0,0|1,0,0]=3 328 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O M61612 [1,1,0,0,0,0|2,0,0]=4 329 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 M54344 [1,1,0,0,0,0|1,0,0]=3 330 B14R2.142 COC1=CC2=C(O)C=CN=C2C=C1 M68998 [1,1,0,0,0,0|2,0,0]=4 331 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 B68727 [1,1,0,0,0,0|2,0,0]=4 332 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 C53784 [1,1,0,0,0,0|2,0,0]=4 333 B14R2.142 O=CC1=CC=C2C=CC=C(F)C2=N1 F62617 [1,1,0,0,0,0|1,0,0]=3 334 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 H53569 [1,1,0,0,0,0|1,0,0]=3 335 B14R2.1019 COC1=CC2=CC=CN=C2C(Cl)=C1 C61535 [1,1,0,0,0,0|2,0,0]=4 336 B14R2.1019 COC1=CC2=CC=CN=C2C(N)=C1 A38633 [1,1,0,0,0,0|2,0,0]=4 337 B14R2.1019 COC1=CC2=NC=CC=C2C(Br)=C1 B32298 [1,1,0,0,0,0|2,0,0]=4 338 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl C53477 [1,1,0,0,0,0|1,0,0]=3 339 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CO2 M53807 [1,1,0,0,0,0|2,0,0]=4 340 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 M53927 [1,1,0,0,0,0|2,0,0]=4 341 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 M54342 [1,1,0,0,0,0|1,0,0]=3 342 B14R2.1801 COC1=CC2=NC=CC(C)=C2C=C1 M55441 [1,1,0,0,0,0|2,0,0]=4 343 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 B53774 [1,1,0,0,0,0|2,0,0]=4 344 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 C12196 [1,1,0,0,0,0|2,0,0]=4 345 B14R2.1801 COC1=CC=C2C([Mg+])=CC=CC2=C1 M31720 [1,1,0,0,0,0|1,0,0]=3 346 B14R2.2332 BrCC1=CC=C2C=C(Br)C=CC2=C1 B55217 [1,1,0,0,0,0|1,0,1]=4 347 B14R2.2332 C=CC1=CC=C2C=C(O)C=CC2=C1 V55606 [1,1,0,0,0,0|0,0,1]=3 348 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 E38092 [1,1,0,0,0,0|0,0,1]=3 349 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M54403 [1,1,0,0,0,0|2,0,0]=4 350 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 M54343 [1,1,0,0,0,0|1,0,0]=3 351 B14R2.2332 COC1=CC2=NC=C(N)C=C2C=C1 M52288 [1,1,0,0,0,0|2,0,0]=4 352 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 B68116 [1,1,0,0,0,0|1,0,0]=3 353 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 C19090 [1,1,0,0,0,0|2,0,0]=4 354 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 H37878 [1,1,0,0,0,0|1,0,1]=4 355 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 H25376 [1,1,0,0,0,0|0,0,0]=2 356 B14R2.2332 O=CC1=CC=C2C=C(Br)C=CC2=N1 B53474 [1,1,0,0,0,0|1,0,0]=3 357 B14R2.2332 O=CC1=CC=C2C=C(F)C=CC2=N1 F62729 [1,1,0,0,0,0|1,0,0]=3 358 B14R2.2332 O=CC1=CC=C2N=C(Cl)C=CC2=C1 C53478 [1,1,0,0,0,0|1,0,0]=3 359 B14R2.2332 OCC1=CC=C2C=C(Br)C=CC2=C1 B55418 [1,1,0,0,0,0|0,0,2]=4 360 B14R2.95 COC(=O)C1=C2C=CC=CN2C=C1 M61670 [0,1,0,0,1,0|1,0,0]=3 361 B14R2.95 COC(=O)C1=C2C=CC=CN2N=C1 P5014 [0,1,0,0,1,0|2,0,0]=4 362 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 M26715 [0,1,0,0,1,0|1,0,0]=3 363 B14R2.95 COC(=O)C1=CNC2=C1C=CC=N2 M5241 [0,1,0,0,1,0|2,0,0]=4 364 B14R2.95 COC(=O)C1=CNC2=C1C=CN=C2 M37117 [0,1,0,0,1,0|2,0,0]=4 365 B14R2.95 COC(=O)C1=CNC2=C1C=NC=C2 M51399 [0,1,0,0,1,0|2,0,0]=4 366 B14R2.95 COC(=O)C1=CNC2=CC=CN=C21 M26864 [0,1,0,0,1,0|2,0,0]=4 367 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 M1830 [0,1,0,0,1,0|2,0,0]=4 368 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 K51712 [0,1,0,0,1,0|2,0,0]=4 369 B14R2.95 O=C(CCl)C1=CNC2=C1C=CC=N2 C63549 [0,1,0,0,1,0|2,0,0]=4 370 B14R2.300 CC(=O)N1N=CC2=C1C=CC(Cl)=C2 C51131 [0,1,0,0,1,0|2,0,0]=4 371 B14R2.300 CC1=CC2=C(C=C1)C(C(=O)O)=CN2 M22301 [0,1,0,0,1,0|2,0,0]=4 372 B14R2.300 O=C(O)C1=CNC2=C1C=CC(Br)=C2 B14540 [0,1,0,0,1,0|2,0,0]=4 373 B14R2.300 O=C(O)C1=CNC2=C1C=CC(Cl)=C2 C50878 [0,1,0,0,1,0|2,0,0]=4 374 B14R2.300 O=C(O)C1=CNC2=C1C=CC(F)=C2 F50888 [0,1,0,0,1,0|2,0,0]=4 375 B14R2.300 O=C(O)C1=COC2=C1C=CC(F)=C2 F62979 [0,1,0,0,1,0|2,0,0]=4 376 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 M52299 [0,1,0,0,1,0|2,0,0]=4 377 B14R2.5816 CC(=O)C1=CNC2=C1C=C(Br)C=C2 B64868 [0,1,0,0,1,0|1,0,0]=3 378 B14R2.5816 CC(=O)C1=CNC2=C1C=C(Cl)C=C2 C53787 [0,1,0,0,1,0|1,0,0]=3 379 B14R2.5816 CC(=O)C1=CNC2=NC=C(Br)C=C12 B10152 [0,1,0,0,1,0|2,0,0]=4 380 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O M53944 [0,1,0,0,1,0|2,0,0]=4 381 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Br)C=C2 B16214 [0,1,0,0,1,0|2,0,0]=4 382 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Cl)C=C2 C50877 [0,1,0,0,1,0|2,0,0]=4 383 B14R2.5816 O=C(O)C1=CNC2=C1C=C(F)C=C2 F50887 [0,1,0,0,1,0|2,0,0]=4 384 B14R2.5816 O=C(O)C1=CNC2=C1C=C(I)C=C2 K61999 [0,1,0,0,1,0|2,0,0]=4 385 B14R2.8032 CC(=O)C1=CNC2=C(Br)C=CC=C12 B53777 [0,1,0,0,1,0|1,0,0]=3 386 B14R2.8032 CC1=CC=CC2=C1NC=C2C(=O)O M53945 [0,1,0,0,1,0|2,0,0]=4 387 B14R2.8032 O=C(O)C1=CNC2=C(Cl)C=CC=C12 C25787 [0,1,0,0,1,0|2,0,0]=4 388 B14R2.8032 O=C(O)C1=CNC2=C(F)C=CC=C12 F36954 [0,1,0,0,1,0|2,0,0]=4 389 B14R2.8053 CC(=O)C1=CNC2=NC=CC(Cl)=C12 A12412 [0,1,0,0,1,0|2,0,0]=4 390 B14R2.8053 CC1=C2C(=CC=C1)NC=C2C(=O)O M53941 [0,1,0,0,1,0|2,0,0]=4 391 B14R2.8053 O=C(O)C1=CNC2=CC=CC(Cl)=C21 C22560 [0,1,0,0,1,0|2,0,0]=4 392 B14R2.8053 O=C(O)C1=CNC2=CC=CC(F)=C21 F64002 [0,1,0,0,1,0|2,0,0]=4 393 B14R2.25733 CC(=O)C1=CN(C)C2=C1C=CC=C2 A54401 [0,1,0,0,1,0|1,0,0]=3 394 B14R2.25733 CC(=O)C1=NN(C)C2=C1C=CC=C2 M9335 [0,1,0,0,1,0|2,0,0]=4 395 B14R2.25733 CC(=O)N1C=C(Br)C2=C1C=CC=C2 A53771 [0,1,0,0,1,0|1,0,0]=3 396 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 A21724 [0,1,0,0,1,0|1,0,1]=4 397 B14R2.25733 CN1C=C(C(=O)O)C2=C1C=CC=C2 M53939 [0,1,0,0,1,0|2,0,0]=4 398 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(Cl)S2 C50942 [0,1,0,0,1,0|2,0,0]=4 399 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)C2 A53917 [0,1,0,0,1,0|1,0,1]=4 400 B14R2.601 CC(=O)C1=CC2=CN(C)N=C2C=C1 A14158 [0,1,0,0,1,0|2,0,0]=4 401 B14R2.601 CC(=O)C1=CC2=NN(C)C=C2C=C1 A14160 [0,1,0,0,1,0|2,0,0]=4 402 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=C2)N1 M25102 [0,1,0,0,1,0|2,0,0]=4 403 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 M23910 [0,1,0,0,1,0|2,0,0]=4 404 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CNC2=C1 C18256 [0,1,0,0,1,0|2,0,0]=4 405 B14R2.624 O=C(O)C1=C(Cl)C=C2NC=CC2=C1 C22683 [0,1,0,0,1,0|2,0,0]=4 406 B14R2.624 O=C(O)C1=C(F)C=C2C=COC2=C1 F37578 [0,1,0,0,1,0|2,0,0]=4 407 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 M3561 [0,1,0,0,1,0|2,0,0]=4 408 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 M51386 [0,1,0,0,1,0|2,0,0]=4 409 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 M38948 [0,1,0,0,1,0|2,0,0]=4 410 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 M2325 [0,1,0,0,1,0|1,0,0]=3 411 B14R2.966 COC(=O)C1=CC2=C(C=C1)NN=C2 M3556 [0,1,0,0,1,0|2,0,0]=4 412 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 M51216 [0,1,0,0,1,0|2,0,0]=4 413 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 M61901 [0,1,0,0,1,0|1,0,0]=3 414 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 M38475 [0,1,0,0,1,0|1,0,0]=3 415 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 M61626 [0,1,0,0,1,0|1,0,0]=3 416 B14R2.966 COC(=O)C1=CC2=CC=CN2C=C1 M53937 [0,1,0,0,1,0|1,0,0]=3 417 B14R2.966 COC(=O)C1=CC2=NC=CN2C=C1 M10302 [0,1,0,0,1,0|2,0,0]=4 418 B14R2.966 COC(=O)C1=CC=C2C=CN=C2N1 M7960 [0,1,0,0,1,0|2,0,0]=4 419 B14R2.966 COC(=O)C1=CN2C=CN=C2C=C1 M0346 [0,1,0,0,1,0|2,0,0]=4 420 B14R2.966 COC(=O)C1=CN2C=NC=C2C=C1 M51397 [0,1,0,0,1,0|2,0,0]=4 421 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 M1809 [0,1,0,0,1,0|2,0,0]=4 422 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 P0212 [0,1,0,0,1,0|2,0,0]=4 423 B14R2.966 COC(=O)C1=NC2=C(C=C1)NC=C2 M25957 [0,1,0,0,1,0|2,0,0]=4 424 B14R2.966 COC(=O)C1=NC2=C(C=CO2)C=C1 M59879 [0,1,0,0,1,0|2,0,0]=4 425 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 P7750 [0,1,0,0,1,0|2,0,0]=4 426 B14R2.966 COC(=O)C1=NC=C2NC=CC2=C1 M11632 [0,1,0,0,1,0|2,0,0]=4 427 B14R2.966 NNC(=O)C1=CC2=C(C=C1)NC=C2 K51713 [0,1,0,0,1,0|2,0,0]=4 428 B14R2.966 NNC(=O)C1=CC2=C(C=CN2)C=C1 K51714 [0,1,0,0,1,0|2,0,0]=4 429 B14R2.5719 CC(=O)C1=CC2=C(C=C1)N(C)N=C2 M9306 [0,1,0,0,1,0|2,0,0]=4 430 B14R2.5998 O=C(O)C1=C(F)C2=C(C=C1)NC=C2 F63226 [0,1,0,0,1,0|2,0,0]=4 431 B14R2.8824 CC1=C2C=CNC2=CC(C(=O)O)=C1 M53942 [0,1,0,0,1,0|2,0,0]=4 432 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 B15140 [0,1,0,0,1,0|2,0,0]=4 433 B14R2.8824 O=C(O)C1=CC(Cl)=C2C=CNC2=C1 C26121 [0,1,0,0,1,0|2,0,0]=4 434 B14R2.8824 O=C(O)C1=CC(F)=C2C=CNC2=C1 F26123 [0,1,0,0,1,0|2,0,0]=4 435 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 M24409 [0,1,0,0,1,0|2,0,0]=4 436 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 M53940 [0,1,0,0,1,0|2,0,0]=4 437 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2Br B61461 [0,1,0,0,1,0|2,0,0]=4 438 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,1,0,0,1,0|2,0,0]=4 439 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,1,0,0,1,0|2,0,0]=4 440 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [0,1,0,0,1,0|2,0,0]=4 441 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 A51383 [0,1,0,0,1,0|2,0,0]=4 442 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [0,1,0,0,1,0|2,0,0]=4 443 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,1,0,0,1,0|2,0,0]=4 444 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,0,1,0|1,0,0]=3 445 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [0,1,0,0,1,0|1,0,0]=3 446 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 M12534 [0,1,0,0,1,0|2,0,0]=4 447 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 M13607 [0,1,0,0,1,0|2,0,0]=4 448 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 M3314 [0,1,0,0,1,0|2,0,0]=4 449 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,0,1,0|2,0,0]=4 450 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [0,1,0,0,1,0|2,0,0]=4 451 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 P3313 [0,1,0,0,1,0|2,0,0]=4 452 B14R2.4529 CC(=O)C1=NC2=C(C=C(Br)C=C2)N1 B51125 [0,1,0,0,1,0|2,0,0]=4 453 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [0,1,0,0,1,0|2,0,0]=4 454 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [0,1,0,0,1,0|2,0,0]=4 455 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [0,1,0,0,1,0|2,0,0]=4 456 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [0,1,0,0,1,0|2,0,0]=4 457 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [0,1,0,0,1,0|2,0,0]=4 458 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [0,1,0,0,1,0|2,0,0]=4 459 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [0,1,0,0,1,0|2,0,0]=4 460 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 B60538 [0,1,0,0,1,0|2,0,0]=4 461 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 B12709 [0,1,0,0,1,0|2,0,0]=4 462 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 C50770 [0,1,0,0,1,0|2,0,0]=4 463 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [0,1,0,0,1,0|2,0,0]=4 464 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 F63917 [0,1,0,0,1,0|2,0,0]=4 465 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [0,1,0,0,1,0|2,0,0]=4 466 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [0,1,0,0,1,0|2,0,0]=4 467 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [0,1,0,0,1,0|2,0,0]=4 468 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [0,1,0,0,1,0|2,0,0]=4 469 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [0,1,0,0,1,0|2,0,0]=4 470 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [0,1,0,0,1,0|2,0,0]=4 471 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [0,1,0,0,1,0|2,0,0]=4 472 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [0,1,0,0,1,0|2,0,0]=4 473 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 B61317 [0,1,0,0,1,0|2,0,0]=4 474 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 M21986 [0,1,0,0,1,0|2,0,0]=4 475 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 M21818 [0,1,0,0,1,0|2,0,0]=4 476 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 M21988 [0,1,0,0,1,0|2,0,0]=4 477 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 B37796 [0,1,0,0,1,0|2,0,0]=4 478 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 B12683 [0,1,0,0,1,0|2,0,0]=4 479 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 C22565 [0,1,0,0,1,0|2,0,0]=4 480 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 F23500 [0,1,0,0,1,0|2,0,0]=4 481 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 H51211 [0,1,0,0,1,0|2,0,0]=4 482 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 B50868 [0,1,0,0,1,0|2,0,0]=4 483 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 B9974 [0,1,0,0,1,0|2,0,0]=4 484 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 B12710 [0,1,0,0,1,0|2,0,0]=4 485 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 C50879 [0,1,0,0,1,0|2,0,0]=4 486 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 C26344 [0,1,0,0,1,0|2,0,0]=4 487 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 F50889 [0,1,0,0,1,0|2,0,0]=4 488 B16R2.5347 COC(=O)CC1=CC2=CC=CN=C2C=C1 M38116 [0,1,0,0,0,1|1,0,0]=3 489 B16R2.5347 COC(=O)CC1=CC2=NC=CN=C2C=C1 M54280 [0,1,0,0,0,1|2,0,0]=4 490 B16R2.5347 COC(=O)CC1=NC2=CC=CN=C2C=C1 M7648 [0,1,0,0,0,1|2,0,0]=4 491 B16R2.6284 N[C@@H](C(=O)O)C1=CC2=CC=CC=C2C=C1 A56568 [0,1,0,0,0,1|1,0,0]=3 492 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 M65408 [0,1,0,0,0,1|1,0,1]=4 493 B16R2.83538 O=C(O)CN1C=CC2=C(C=CC=C2)C1=O X55390 [0,1,0,0,0,1|2,0,0]=4 494 B16R2.1229 COC(=O)C1=C(C)C2=NC=CC=C2C=C1 M55667 [0,2,0,0,0,0|1,0,0]=3 495 B16R2.12044 CC(=O)C1=C(O)C2=NC(O)=CC=C2N=C1 D66304 [0,2,0,0,0,0|2,0,0]=4 496 B16R2.12044 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1O B4235 [0,2,0,0,0,0|2,0,0]=4 497 B16R2.12044 O=C(O)C1=CN=C2C=CC(F)=CC2=C1O F53473 [0,2,0,0,0,0|2,0,0]=4 498 B16R2.23331 NC1=C([N+](=O)[O-])C=C(Br)C2=CC=CC=C21 B53525 [0,2,0,0,0,0|2,0,0]=4 499 B16R2.23372 CC(=O)C1=C(O)C2=C(C=CC=C2)NC1=O A55383 [0,2,0,0,0,0|1,0,0]=3 500 B16R2.23372 O=C(O)C1=C(O)C2=CC=CC=C2C=C1O D55297 [0,2,0,0,0,0|1,0,0]=3 501 B16R2.133456 O=C(O)C1=CN=C2C=C(Br)C=CC2=C1O B53471 [0,2,0,0,0,0|2,0,0]=4 502 B16R2.23520 O=C(O)C1=CC2=C(C=C(Br)C=C2)OC1=O B62287 [0,2,0,0,0,0|2,0,0]=4 503 B16R2.23521 CC1=C(C(=O)O)C=C2C=C(Br)C=CC2=N1 B62235 [0,2,0,0,0,0|2,0,0]=4 504 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(Br)=CC2=C1 B55209 [0,2,0,0,0,0|1,0,0]=3 505 B16R2.23521 O=C(O)C1=CC2=CC(O)=CC=C2C=C1O D55298 [0,2,0,0,0,0|1,0,0]=3 506 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)NC1=O M10249 [0,2,0,0,0,0|1,0,0]=3 507 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1Cl M12280 [0,2,0,0,0,0|1,0,0]=3 508 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1N M54285 [0,2,0,0,0,0|1,0,0]=3 509 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2C=N1 E55662 [0,2,0,0,0,0|1,0,0]=3 510 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2N=C1 E39006 [0,2,0,0,0,0|1,0,0]=3 511 B16R2.767 CCOC(=O)C1=CC2=CC=CN=C2C=C1 E9598 [0,2,0,0,0,0|1,0,0]=3 512 B16R2.767 CCOC(=O)C1=CC2=CC=NC=C2C=C1 E55663 [0,2,0,0,0,0|1,0,0]=3 513 B16R2.767 CCOC(=O)C1=CC2=CN=CC=C2C=C1 E55664 [0,2,0,0,0,0|1,0,0]=3 514 B16R2.767 CCOC(=O)C1=CC2=NC=CN=C2C=C1 E54278 [0,2,0,0,0,0|2,0,0]=4 515 B16R2.767 CCOC(=O)C1=NC2=CC=CC=C2C=C1 E55660 [0,2,0,0,0,0|1,0,0]=3 516 B16R2.767 C[C@H](NC=O)C1=CC2=CC=CC=C2C=C1 N67282 [0,2,0,0,0,0|0,0,1]=3 517 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 M55620 [0,2,0,0,0,0|0,0,0]=2 518 B16R2.1205 COC(=O)C1=CC=C2C=NC(Cl)=NC2=C1 M0500 [0,2,0,0,0,0|2,0,0]=4 519 B16R2.1205 COC(=O)C1=CN=C2C=CC(Br)=CC2=C1 M55266 [0,2,0,0,0,0|1,0,0]=3 520 B16R2.1205 COC(=O)C1=NC=C2C=CC(Br)=CC2=C1 M55273 [0,2,0,0,0,0|1,0,0]=3 521 B16R2.1212 COC(=O)C1=CC2=C(C=CNC2=O)C=C1 M32234 [0,2,0,0,0,0|1,0,0]=3 522 B16R2.1212 COC(=O)C1=CC2=C(O)C=CN=C2C=C1 M62734 [0,2,0,0,0,0|1,0,0]=3 523 B16R2.1212 COC(=O)C1=CC=C2N=CN=C(Cl)C2=C1 M0103 [0,2,0,0,0,0|2,0,0]=4 524 B16R2.33799 CNC(=O)C1=CC=C2C=C(Br)C=CC2=C1 B55596 [0,2,0,0,0,0|0,0,0]=2 525 B16R2.33799 COC(=O)C1=CC2=C(C=C1)NC(=O)N=C2 M53676 [0,2,0,0,0,0|2,0,0]=4 526 B16R2.33799 COC(=O)C1=CC2=CC=C(O)C=C2C=C1 M21805 [0,2,0,0,0,0|0,0,0]=2 527 B16R2.33799 COC(=O)C1=CC=C2C=C(Br)C=CC2=C1 M37966 [0,2,0,0,0,0|0,0,0]=2 528 B16R2.33799 COC(=O)C1=CC=C2N=C(Cl)C=CC2=C1 M55275 [0,2,0,0,0,0|1,0,0]=3 529 B16R2.33799 COC(=O)C1=CC=C2N=C(Cl)C=NC2=C1 M53528 [0,2,0,0,0,0|2,0,0]=4 530 B16R2.33799 COC(=O)C1=CC=C2N=C(Cl)N=CC2=C1 M0499 [0,2,0,0,0,0|2,0,0]=4 531 B16R2.33799 COC(=O)C1=CN=C2C=C(Br)C=CC2=C1 M55269 [0,2,0,0,0,0|1,0,0]=3 532 B16R2.33799 COC(=O)C1=NC2=CC=C(O)C=C2C=C1 M14983 [0,2,0,0,0,0|1,0,0]=3 533 B16R2.33799 O=C(CBr)C1=CC=C2C=C(Br)C=CC2=C1 B56476 [0,2,0,0,0,0|0,0,0]=2 534 B16R2.33887 COC(=O)C1=CC2=C(C=CC=C2)C(=O)N1 M24941 [0,2,0,0,0,0|1,0,0]=3 535 B16R2.33887 COC(=O)C1=CC2=CC=CC=C2C(O)=C1 M64299 [0,2,0,0,0,0|0,0,0]=2 536 B16R2.33887 COC(=O)C1=NC2=CC=CC=C2C(O)=C1 M55389 [0,2,0,0,0,0|1,0,0]=3 537 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=O)NC=N2 M53677 [0,2,0,0,0,0|2,0,0]=4 538 B16R2.173132 COC(=O)C1=CC=C2C(Br)=CC=CC2=C1 M56531 [0,2,0,0,0,0|0,0,0]=2 539 B16R2.173132 COC(=O)C1=CC=C2C(Br)=CC=CC2=N1 M55264 [0,2,0,0,0,0|1,0,0]=3 540 B16R2.173132 COC(=O)C1=CC=C2C(Cl)=CC=NC2=C1 M55276 [0,2,0,0,0,0|1,0,0]=3 541 B16R2.3885 O=C(O)C1=CC=C2C=C(Cl)C(F)=CC2=N1 C59795 [0,2,0,0,0,0|2,0,0]=4 542 B16R2.11976 O=C(O)C1=CC2=C(C=C1)NC=C(Br)C2=O B53472 [0,2,0,0,0,0|2,0,0]=4 543 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(F)C=C2)O1 F53415 [0,2,0,0,0,0|2,0,0]=4 544 B16R2.133406 O=C(O)C1=CC(O)=C2C=CC(Cl)=CC2=N1 C29736 [0,2,0,0,0,0|2,0,0]=4 545 B16R2.7486 COC1=CC=C2C=C(C(=O)O)C=CC2=C1 M22620 [0,2,0,0,0,0|1,0,0]=3 546 B16R2.11989 O=C(O)C1=CC=C2C(=N1)C=CC(Cl)=C2F C59761 [0,2,0,0,0,0|2,0,0]=4 547 B16R2.23501 CC1=CC=C2C=C(C(=O)O)C=C(C)C2=N1 D37234 [0,2,0,0,0,0|2,0,0]=4 548 B16R2.23501 O=C(O)C1=CC(Cl)=C2C=C(Br)C=CC2=N1 B53406 [0,2,0,0,0,0|2,0,0]=4 549 B16R2.27376 CC(=O)C1=CC2=C(C=C1)OC(C)(C)C=C2 D65976 [0,2,0,0,0,0|1,0,1]=4 550 B16R2.40082 COC1=CC(C(=O)O)=NC2=CC=CC=C21 M62194 [0,2,0,0,0,0|2,0,0]=4 551 B16R2.189541 COC1=C2N=C(C(=O)O)C=CC2=CC=C1 M63867 [0,2,0,0,0,0|2,0,0]=4 552 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 A69305 [0,0,1,1,0,0|0,0,0]=2 553 B14R2.31359 CC(=O)C1=CC=CC2=CC=CN=C21 Q55349 [0,0,1,1,0,0|1,0,0]=3 554 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 Q55350 [0,0,1,1,0,0|1,0,0]=3 555 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 N13772 [0,0,1,1,0,0|1,0,1]=4 556 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 N65859 [0,0,1,1,0,0|1,0,1]=4 557 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 N16221 [0,0,1,1,0,0|1,0,1]=4 558 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 N55761 [0,0,1,1,0,0|0,0,2]=4 559 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 N63556 [0,0,1,1,0,0|1,0,0]=3 560 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 N69292 [0,0,1,1,0,0|1,0,0]=3 561 B14R2.31359 O=C(O)C1=CC=CC2=CC=NC=C21 Q9592 [0,0,1,1,0,0|2,0,0]=4 562 B14R2.31359 O=C(O)C1=CC=CC2=CN=CC=C21 Q3903 [0,0,1,1,0,0|2,0,0]=4 563 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 Q4688 [0,0,1,1,0,0|2,0,0]=4 564 B14R2.31359 O=C(O)C1=CN=CC2=CC=CC=C21 I3902 [0,0,1,1,0,0|2,0,0]=4 565 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 Q4650 [0,0,1,1,0,0|2,0,0]=4 566 B16R3.335 CC1=NC2=C(C=CC3=CC=CC=C32)S1 M56529 [0,0,0,1,0,1|1,0,0]=3 567 B16R3.335 CC1=NC2=C(O1)C3=CC=CC=C3C=C2 M56511 [0,0,0,1,0,1|0,0,1]=3 568 B12R2.1 O=CC1=C2C=CC=CN2C=C1 K61492 [1,0,0,0,1,0|1,0,0]=3 569 B12R2.1 O=CC1=C2C=CC=CN2C=N1 K47871 [1,0,0,0,1,0|2,0,0]=4 570 B12R2.1 O=CC1=CN=C2C=CC=CN12 I3368 [1,0,0,0,1,0|2,0,0]=4 571 B12R2.1 O=CC1=CNC2=C1C=CC=N2 P0802 [1,0,0,0,1,0|2,0,0]=4 572 B12R2.1 O=CC1=CNC2=C1C=CN=C2 P47872 [1,0,0,0,1,0|2,0,0]=4 573 B12R2.1 O=CC1=CNC2=C1C=NC=C2 P26608 [1,0,0,0,1,0|2,0,0]=4 574 B12R2.1 O=CC1=CNC2=CC=CN=C12 P22788 [1,0,0,0,1,0|2,0,0]=4 575 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [1,0,0,0,1,0|1,0,0]=3 576 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [1,0,0,0,1,0|1,0,0]=3 577 B12R2.1 O=CC1=NC=C2C=CC=CN21 K61874 [1,0,0,0,1,0|2,0,0]=4 578 B12R2.1 O=CC1=NNC2=C1C=CC=C2 K9332 [1,0,0,0,1,0|2,0,0]=4 579 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [1,0,0,0,1,0|1,0,1]=4 580 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,0,0,0,1,0|1,0,0]=3 581 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [1,0,0,0,1,0|1,0,0]=3 582 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [1,0,0,0,1,0|1,0,0]=3 583 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [1,0,0,0,1,0|2,0,0]=4 584 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 P24641 [1,0,0,0,1,0|2,0,0]=4 585 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 P1530 [1,0,0,0,1,0|2,0,0]=4 586 B12R2.32 O=CC1=CC2=CC=CN=C2S1 T47760 [1,0,0,0,1,0|2,0,0]=4 587 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,0,0,0,1,0|2,0,0]=4 588 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [1,0,0,0,1,0|2,0,0]=4 589 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [1,0,0,0,1,0|2,0,0]=4 590 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [1,0,0,0,1,0|1,0,1]=4 591 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [1,0,0,0,1,0|2,0,0]=4 592 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [1,0,0,0,1,0|2,0,0]=4 593 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [1,0,0,0,1,0|2,0,0]=4 594 B12R2.44 O=CC1=CC2=C(C=C1)C=NN2 I9282 [1,0,0,0,1,0|2,0,0]=4 595 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 B67798 [1,0,0,0,1,0|2,0,0]=4 596 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 B47759 [1,0,0,0,1,0|2,0,0]=4 597 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 F2137 [1,0,0,0,1,0|1,0,0]=3 598 B12R2.44 O=CC1=CC2=C(C=C1)NN=C2 I5564 [1,0,0,0,1,0|2,0,0]=4 599 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [1,0,0,0,1,0|1,0,0]=3 600 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 B61014 [1,0,0,0,1,0|2,0,0]=4 601 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 B36746 [1,0,0,0,1,0|2,0,0]=4 602 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 F2138 [1,0,0,0,1,0|1,0,0]=3 603 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 B51038 [1,0,0,0,1,0|1,0,0]=3 604 B12R2.44 O=CC1=CC2=NC=CN2C=C1 I1727 [1,0,0,0,1,0|2,0,0]=4 605 B12R2.44 O=CC1=CN2C=CN=C2C=C1 I7539 [1,0,0,0,1,0|2,0,0]=4 606 B12R2.44 O=CC1=CN=C2NC=CC2=C1 P0327 [1,0,0,0,1,0|2,0,0]=4 607 B12R2.44 O=CC1=NC=C2NC=CC2=C1 P37025 [1,0,0,0,1,0|2,0,0]=4 608 B12R2.44 O=CC1=NC=C2OC=CC2=C1 F39054 [1,0,0,0,1,0|2,0,0]=4 609 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)NC=C2 K52290 [0,0,0,0,1,1|1,0,0]=3 610 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 N68799 [0,0,0,0,0,2|1,0,0]=3