0 B12R1.6 C=CC1=CN=C(S(C)(=O)=O)C=C1 E72458 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.6 COC1=CC=C([S@@](C)(=N)=O)C=C1 W18264 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.6 COC1=NC=C(S(C)(=O)=O)C=C1 F50802 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.6 CS(=O)(=O)C1=CN=C(CN)C=C1 C16467 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.6 CS(=O)(=O)C1=NC=C(CO)C=C1 C73938 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.6 N#CC1=CN=C(S(=O)(=O)F)C=C1 AT26548 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.6 N#CC1=NC=C(S(=O)(=O)Cl)C=C1 AT11618 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.6 NCC1=CC=C(S(=O)(=O)O)C=C1 AC7999 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 C14685 [0,0,0,0,0,0|0,0,0]=0 9 B12R1.6 O=CC1=CC=C(S(=O)(=O)F)C=C1 AT12034 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.19 CC1=CN=C(S(=O)(=O)Cl)C=C1 N11756 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.19 CC1=CN=C(S(=O)(=O)F)N=C1 AT12158 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.19 CC1=CN=C(S(C)(=O)=O)N=C1 E70475 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 AT18356 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.19 CC1=NN=C(S(=O)(=O)F)C=C1 AT13283 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 F10472 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.19 CS(=O)(=O)C1=CN=C(N)N=C1 AT18401 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.19 CS(=O)(=O)C1=CNC(=O)C=C1 F30801 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 D88549 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.19 NC1=CN=C(S(N)(=O)=O)C=C1 AC8683 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.19 NC1=CN=C(S(N)(=O)=O)C=C1 D77156 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.19 NS(=O)(=O)C1=NC=C(Br)C=C1 C90992 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.19 O=S(=O)(Cl)C1=NC=C(F)C=C1 AT18758 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.19 O=S(=O)(F)C1=NC=C(Br)C=C1 AT26825 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 C16387 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 N11848 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.19 O=S(=O)(O)C1=CC=C(F)C=C1 AC3124 [1,0,0,0,0,0|2,0,0]=3 52 B13R1.38 CNC1=C(N)C=C(S(N)(=O)=O)C=C1 AT23167 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.38 COC1=C(N)C=C(S(N)(=O)=O)C=C1 AT23168 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.38 CS(=O)(=O)C1=CC(Cl)=C(C=O)C=C1 P10287 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.38 CS(=O)(=O)C1=CC(Cl)=C(CO)C=C1 P10337 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.38 N#CC1=C(Br)C=C(S(=O)(=O)Cl)C=C1 AT13488 [0,1,0,0,0,0|1,0,2]=4 57 B13R1.96 COC1=CC(Cl)=C(S(=O)(=O)Cl)C=C1 C80021 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.96 COC1=CC(F)=C(S(=O)(=O)Cl)C=C1 CK2298 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.96 CS(=O)(=O)C1=C(Cl)C=C(C=O)C=C1 AT16397 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.96 N#CC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 AT13518 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.96 N#CC1=CC(F)=C(S(=O)(=O)Cl)C=C1 AT11542 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.140 CCOC1=NC=C(S(C)(=O)=O)C=C1 E72603 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.140 NCCC1=CC=C(S(=O)(=O)O)C=C1 A51146 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.140 NS(=O)(=O)C1=CC=C(N=C=S)C=C1 C75437 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.140 O=S(=O)(Cl)C1=CC=C(CCCl)C=C1 D86022 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.187 CCS(=O)(=O)C1=CN=C(CN)C=C1 AT23516 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.187 CNS(=O)(=O)C1=CC=C(CBr)C=C1 D97743 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)Cl)C=C1 H12017 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 71662 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 F53699 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.338 C[C@H](O)C1=CN=C(S(C)(=O)=O)C=C1 F31317 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.338 O=C(O)C1=CC=C(S(=O)(=O)F)C=C1 D76950 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.45 CCC1=CC=C(S(=O)(=O)Cl)O1 AT17342 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.45 NCC1=CC=C(S(N)(=O)=O)S1 F19934 [0,0,0,0,1,0|1,0,0]=2 75 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 C71364 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [2,0,0,0,0,0|1,0,0]=3 81 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.48 NCC1=C(Cl)C=C([N+](=O)[O-])C=C1 F53507 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F51015 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F52005 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.113 NNCC1=CC=C([N+](=O)[O-])C=C1 AC5363 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53386 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.452 NCC1=CC(Br)=C([N+](=O)[O-])C=C1 O10076 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.23 CC1=C(C)C=C(S(C)(=O)=O)C=C1 AT24021 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.23 CS(=O)(=O)C1=NC=C(N)C(N)=C1 81035 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.23 NC1=C(Br)C=C(S(N)(=O)=O)C=C1 AT14671 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.23 NC1=C(Cl)C=C(S(=O)(=O)O)C=C1 F15573 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.23 NC1=C(Cl)C=CC(S(N)(=O)=O)=C1 AT23175 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.23 NC1=C(F)C=C(S(N)(=O)=O)C=C1 AT23140 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.23 NC1=C(F)C=CC(S(N)(=O)=O)=C1 AT23153 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.23 NC1=C(O)C=C(S(N)(=O)=O)C=C1 D87805 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.126 CC1=C(S(N)(=O)=O)C=CC(N)=C1 AT23139 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.126 CC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 AT13513 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.126 CC1=CC(Cl)=C(S(=O)(=O)Cl)C=C1 C15981 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.126 CC1=NC(Cl)=C(S(=O)(=O)Cl)C=C1 AT18365 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.126 CS(=O)(=O)C1=C(F)C=C(O)C=C1 94986 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.126 NC1=C(S(N)(=O)=O)C=CC(Br)=C1 AT23129 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.126 NC1=C(S(N)(=O)=O)C=CC(F)=C1 AT23131 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.126 NC1=CC(O)=C(S(N)(=O)=O)C=C1 D87666 [1,1,0,0,0,0|0,0,0]=2 109 B12R1.180 NCCN1C=C(S(N)(=O)=O)C=N1 S11153 [0,1,0,0,1,0|2,0,0]=4 110 B14R1.215 N#CC1=CC=C(CS(=O)(=O)NN)C=C1 D87005 [0,1,0,0,0,1|0,0,2]=4 111 B14R1.414 N=C(N)C1=CC=C(CS(=O)(=O)F)C=C1 D83223 [0,1,0,0,0,1|1,0,1]=4 112 B14R1.3275 CS(=O)(=O)NC1=CC(Cl)=C(CBr)C=C1 F52680 [0,1,0,0,0,1|2,0,0]=4 113 B14R1.144 CCOC1=C(Br)C=C(S(=O)(=O)Cl)C=C1 AT13499 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.3287 CNS(=O)(=O)C1=CC(Br)=C(OC)C=C1 N11636 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.4227 CN(C)C1=C(N)C=C(S(N)(=O)=O)C=C1 AT23171 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.6039 NS(=O)(=O)C1=C(Cl)C=C([N+](=O)[O-])C=C1 W17752 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.6039 NS(=O)(=O)C1=C(O)C=C([N+](=O)[O-])C=C1 D88068 [0,2,0,0,0,0|2,0,0]=4 118 B14R1.66 O=S(=O)(Cl)C1=CC=C(OCCBr)C=C1 AT12675 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.66 O=S(=O)(Cl)C1=CC=C(OCCF)C=C1 AT12672 [0,2,0,0,0,0|2,0,0]=4 120 B14R1.719 CC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 N12230 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.719 CS(=O)(=O)C1=CC=C(C(=O)CO)C=C1 AC5150 [0,2,0,0,0,0|2,0,0]=4 122 B14R1.213 CN(C)S(=O)(=O)C1=CC=C(CN)C=C1 AT13563 [0,2,0,0,0,0|0,0,0]=2 123 B14R1.3332 CC(C)(F)C1=CC=C(S(=O)(=O)Cl)C=C1 AT11597 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.3332 CC(F)(F)C1=CC=C(S(=O)(=O)Cl)C=C1 AT11599 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.3332 CS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1 D77030 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.228 CC1=C(S(N)(=O)=O)C=CC=C1N AT23151 [0,0,1,1,0,0|0,0,2]=4 127 B14R2.3125 CS(=O)(=O)C1=CC2=C(C=C1)CCN2 F17810 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.3125 CS(=O)(=O)C1=CC2=C(C=C1)NCC2 72857 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.3125 NS(=O)(=O)C1=CC2=C(C=C1)NC=C2 F18222 [0,1,0,1,0,0|1,0,1]=4 130 B14R2.3125 NS(=O)(=O)C1=CC2=C(C=CN2)C=C1 F18405 [0,1,0,1,0,0|0,0,1]=3 131 B14R2.3125 O=S(=O)(O)C1=CC2=C(C=C1)N=NN2 C16678 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.3123 O=S(=O)(Cl)C1=CC=C(C2CC2)C=C1 C15045 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.55 CC1=CC(S(=O)(=O)Cl)=CS1 AT16917 [1,0,0,0,1,0|2,0,0]=4 134 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 H10930 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.55 CC1=CSC(S(=O)(=O)Cl)=C1 F10351 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.55 NC1=CSC(S(N)(=O)=O)=C1 C77497 [1,0,0,0,1,0|1,0,0]=3 137 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [1,0,0,0,0,1|2,0,0]=4 138 B12R1.106 CC1=CC=C(C[S@@](C)(=N)=O)C=C1 E72404 [1,0,0,0,0,1|1,0,1]=4 139 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 AC8675 [1,0,0,0,0,1|1,0,0]=3 140 B12R1.106 CS(=O)(=O)NC1=CC=C(Cl)C=C1 D87371 [1,0,0,0,0,1|2,0,0]=4 141 B12R1.106 CS(=O)(=O)NC1=CN=C(N)C=C1 AT26938 [1,0,0,0,0,1|2,0,0]=4 142 B12R1.106 CS(=O)(=O)OC1=CC=C(F)C=C1 76122 [1,0,0,0,0,1|2,0,0]=4 143 B12R1.106 CS(=O)(=O)OC1=CC=C(S)C=C1 F16829 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.106 NS(=O)(=O)NC1=CC=C(O)C=C1 E70194 [1,0,0,0,0,1|1,0,0]=3 145 B12R1.436 CS(=O)(=O)C1=CC(CN)=CC=C1 30391 [0,0,0,0,1,1|1,0,0]=3 146 B12R1.436 NS(=O)(=O)C1=CC(CO)=CC=C1 58511 [0,0,0,0,1,1|1,0,0]=3 147 B12R1.436 NS(=O)(=O)C1=CC=CC(CCl)=C1 58509 [0,0,0,0,1,1|1,0,0]=3 148 B12R1.436 O=S(=O)(Cl)C1=CC(CCl)=CC=C1 58508 [0,0,0,0,1,1|2,0,0]=4