0 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 NC1=NC=CC(B(O)O)=C1 36649 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=N1 O10785 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.113 OB(O)C1=NC=CC(F)=C1 D76942 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.113 OC1=CC(C(F)F)=CN=C1 AT26720 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.2 NCC1=NC=CC(O)=C1 79355 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.2 O=CC1=CN=CC(F)=N1 P13899 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 O=C(O)C1=NC=NN=C1 D73602 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,1,0,0,0,0|0,1,0]=2 14 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=N1 F31272 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.21 O=C(O)C1=NC(=O)[C@@H](F)C=C1 AC9403 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 AT22891 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.21 OC1=C(F)C=CC(C(F)F)=C1 D76518 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 CC1=CC=CC(C(=O)CBr)=N1 F53403 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.23 COC(=O)C1=CN=NC(C)=C1 E71799 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.74 CC1=CC(C(=O)O)=CC(F)=N1 AT21700 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.74 CC1=NC(Br)=NC(C(=O)O)=C1 AT21615 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.74 NC1=CC(Br)=NC(C(=O)O)=C1 P19210 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.74 NC1=NC(C(=O)O)=CC(Cl)=N1 D76794 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.74 [2H]C1=CC([2H])=CC(C(=O)O)=C1 D99631 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.155 [2H]C([2H])([2H])C1=CC=CC(O)=C1 D98620 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.159 CC1=CN=CC(C(=O)O)=C1C AT13149 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.159 CC1=NC=CC(C(=O)O)=C1Br D88096 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11383 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1F AT11384 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.159 C[C@H](O)C1=CC=CC(F)=C1O AT22639 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.159 NC(=O)C1=C(I)C(Cl)=CC=N1 AC3696 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1I W19256 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.159 NC1=CN=CC(C(=O)O)=C1N 94389 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.159 O=C(O)C1=C(Cl)C(=O)NC=N1 AT18440 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AT15963 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl C72015 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl AT10270 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.167 CC(=O)C1=C(Br)C=CC(N)=C1 O10299 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.167 CC(=O)C1=C(C)N=CC(N)=C1 O10300 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.167 CC(=O)C1=CC(Br)=CN=C1O AT20305 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.167 CC(=O)C1=CC(Cl)=CN=C1O AT20998 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.167 CC(=O)C1=CC(F)=CN=C1O AT21104 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.167 CC1=C(C(=O)O)C=C(N)N=C1 AT18131 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=N1 AT24032 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.167 CC1=CN=C(Cl)C=C1C(=O)O AT21681 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1N AT16915 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.167 O=C(O)C1=C(Cl)C=NC(Cl)=N1 87857 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.167 O=C(O)C1=C(O)N=CC(F)=N1 N13383 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.167 O=C(O)C1=CC(Br)=CN=C1I AC8600 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.167 O=C1CC=C(Cl)C(C(=O)O)=N1 H11134 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.266 C#CC1=CC(C(=O)O)=NC=C1 AT13151 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.266 CCC1=CC(C(=O)O)=CN=C1 D86036 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.266 CNC1=CC=CC(B(O)O)=C1 D74781 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 P18767 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.266 NNC1=CC(C(N)=O)=NC=C1 AT21860 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.266 O=CC1=CC(C(=O)O)=NC=C1 AT13154 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,0,0,0,1,0|2,0,0]=3 69 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,0,0,0,1,0|2,0,0]=3 70 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,0,0,0,1,0|3,0,0]=4 71 B9R1.35 O=C(O)C1=CC(Cl)=NS1 AT21207 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.35 O=C(O)C1=CC(F)=NN1 E72836 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,0,0,0,1,0|2,0,0]=3 75 B9R1.35 O=C(O)C1=NC(Br)=CN1 AT15621 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.35 O=C(O)C1=NSC(Br)=C1 AT21100 [0,0,0,0,1,0|3,0,0]=4 77 B9R1.35 O=C(O)C1=NSC(I)=C1 AT21162 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.41 CC1=C(C(=O)O)C=NS1 AT21135 [0,0,0,0,1,0|3,0,0]=4 79 B9R1.41 O=C(O)C1=C(Br)C=NS1 AT21094 [0,0,0,0,1,0|3,0,0]=4 80 B9R1.41 O=C(O)C1=CSC=C1F AT16774 [0,0,0,0,1,0|2,0,0]=3 81 B9R1.41 O=C(O)C1=CSN=C1Br AT21076 [0,0,0,0,1,0|3,0,0]=4 82 B9R1.41 O=C(O)C1=CSN=C1Cl AT21165 [0,0,0,0,1,0|3,0,0]=4 83 B9R1.41 O=C(O)C1=NOC=C1Br AT19731 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.41 O=C(O)C1=NON=C1O AT24212 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.41 O=C(O)C1=NSC=C1Br AT21160 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [0,0,0,0,0,1|2,0,0]=3 87 B11R1.157 O=C(O)CC1=CC(Cl)=CN=C1 AT23278 [0,0,0,0,0,1|2,0,0]=3 88 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 AT23309 [0,0,0,0,0,1|2,0,0]=3 89 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C73248 [0,0,0,0,0,1|2,0,0]=3 90 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 AT23307 [0,0,0,0,0,1|2,0,0]=3 91 B11R1.157 O=C([O-])CC1=CC(F)=NC=C1 AT23310 [0,0,0,0,0,1|2,0,1]=4 92 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O C90148 [1,0,1,0,0,0|1,0,1]=4 93 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,1]=4 94 B8R1.4 NC1=CC=CC([15NH2])=C1 41470 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.4 O=C1C=C(Br)C=CO1 A10539 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.4 O=C1C=C(O)C=CO1 AT26917 [2,0,0,0,0,0|1,0,0]=3 97 B8R1.4 O=C1C=CC=C(I)N1 D76264 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.2 O=CC1=CN=CC(Cl)=C1Br AT21625 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.8 NC1=NC(C=O)=CC(Br)=C1 D75532 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.30 CC1=CC(C=O)=C(F)C=N1 AT23100 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 D72193 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.30 O=CC1=C(Br)C=CC(Br)=N1 AC8056 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.30 O=CC1=C(Br)C=CC(F)=N1 AC3278 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.172 COC1=CN=CC(C=O)=N1 P12239 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.176 OCC1=CC(Br)=C(I)C=C1 AT26048 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.61 NC1=C(C(=O)O)C=NN=C1 D87903 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.61 NC1=CC=NN=C1C(=O)O F13675 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [0,1,0,0,1,0|1,0,0]=3 130 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.31 COC1=CC(C(=O)O)=NN1 D77183 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.31 COC1=NSC(C(=O)O)=C1 AT11833 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 AT22754 [0,1,0,0,1,0|2,0,0]=4 134 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 P11016 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.39 CCC1=C(C(=O)O)OC=C1 AT17161 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.39 COC1=NSC=C1C(=O)O AT11783 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.39 N#CC1=C(C(=O)O)C=CS1 AT20351 [0,1,0,0,1,0|2,0,0]=4 139 B10R1.39 N#CC1=CSC=C1C(=O)O AT16775 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.39 O=CC1=C(C(=O)O)SC=C1 AT16398 [0,1,0,0,1,0|1,0,1]=4 141 B10R1.39 O=CC1=CSC=C1C(=O)O AT16772 [0,1,0,0,1,0|1,0,1]=4 142 B10R1.149 COC(=O)C1=C(Cl)NC=C1 AT16177 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.149 COC(=O)C1=C(F)C=CO1 AC5536 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.149 COC(=O)C1=COC=C1Br D72254 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.149 COC(=O)C1=CSC=C1Cl AT14982 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.50 COC(=O)CC1=CC(Cl)=CN=C1 AT23279 [0,1,0,0,0,1|2,0,0]=4 147 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 78583 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.101 O=C(O)CC1=CC(Br)=NC(F)=C1 AT21643 [0,1,0,0,0,1|2,0,0]=4 149 B12R1.127 CC1=CC(CC(=O)O)=C(I)C=C1 AT25201 [0,1,0,0,0,1|1,0,0]=3 150 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 C13048 [0,1,0,0,0,1|1,0,0]=3 151 B12R1.127 O=C(O)CC1=C(I)C=CC(Cl)=C1 AT25203 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.127 O=C(O)CC1=CC(Br)=CN=C1F AT21622 [0,1,0,0,0,1|2,0,0]=4 153 B12R1.127 O=C(O)CC1=CC(F)=CN=C1Cl AT21637 [0,1,0,0,0,1|2,0,0]=4 154 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 D85232 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 D85234 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 D85231 [0,1,0,0,0,1|2,0,0]=4 157 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [0,1,0,0,0,1|1,0,1]=4 158 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [0,1,0,0,0,1|1,0,1]=4 159 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 C77056 [0,1,0,0,0,1|1,0,0]=3 160 B12R1.438 COC1=CC(CC(=O)O)=CN=C1 AT23273 [0,1,0,0,0,1|1,0,0]=3 161 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=N1 AC9654 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)N=C1 C77409 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=N1 AC9225 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.56 COC1=C(F)C=NC(C(=O)O)=C1 AT26887 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.56 COC1=C(F)C=NC(C(C)=O)=C1 AT26885 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.56 NCC1=C(F)C=CC(C(=O)O)=C1 AC6784 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.232 NC1=NC(N)=C(Br)C=C1C(=O)O AC1502 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(F)=C1 AT17981 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(I)=N1 P18002 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.232 O=C(O)C1=CC(O)=C(Br)C=C1F AT11232 [0,2,0,0,0,0|0,0,0]=2 175 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,2,0,0,0,0|0,0,0]=2 176 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.367 CCC(=O)C1=CC(Cl)=C(O)C=C1 AT26585 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 89605 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.893 CC1=C(Cl)C(C(=O)O)=CN=C1Cl AT21680 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.893 CN1C=CC(C(=O)O)=C(O)C1=O AT19249 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(O)=C1 AT11235 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.17 CCOC(=O)C1=NC(O)=NC=C1 C90447 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.24 COC(=O)C1=C(C)C(C)=NC=C1 D77135 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.24 COC(=O)C1=C(N)C(F)=NC=C1 AT26925 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Br AT15997 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.24 COC(=O)C1=CN=CC(Br)=C1C 82666 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.24 COC(=O)C1=CN=CC(Br)=C1N AT16240 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.354 COC(=O)C1=C(Br)C=NC(C)=C1 AC9248 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.354 COC(=O)C1=C(C)C=CC(=O)N1 E71859 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.354 COC(=O)C1=C(C)C=NC(N)=C1 AT18126 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=N1 D76429 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.354 COC(=O)C1=C(S)C=CC(F)=C1 AT20788 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.354 CSC(=O)C1=C(F)C=CC(F)=C1 C12395 [0,2,0,0,0,0|1,1,0]=4 203 B12R1.358 COC(=O)C1=NC(O)=CC(C)=N1 AC3321 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.435 C#CC1=CC=CC(C(=O)NC)=C1 D75639 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.435 COC(=O)C1=NN=CC(OC)=C1 F31234 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.11 CCC1=CC(C(=O)O)=CC(N)=N1 C92761 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.11 O=CC1=CC(Cl)=CC(C(=O)O)=C1 AC4465 [0,2,0,0,0,0|0,0,1]=3 208 B12R1.511 CC1=C(Br)C=C(S)C=C1C(=O)O D73648 [0,2,0,0,0,0|0,1,0]=3 209 B12R1.511 CC1=C(I)C=C(Br)C=C1C(=O)O AT12545 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.511 O=C(O)C1=CC(O)=CC(Br)=C1F AT11236 [0,2,0,0,0,0|0,0,0]=2 211 B12R1.440 O=CC1=NC=CC(C(=O)O)=C1F AT25586 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.440 O=[N+]([O-])C1=C(O)C(CO)=CC=C1 D75809 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.440 OCC1=C(F)C(B(O)O)=CC=C1 D71689 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.894 CC1=C(Br)C=CC(O)=C1C(=O)O D76566 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.894 CC1=C(Cl)C=CC(O)=C1C(=O)O D76565 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.894 CC1=C(F)C=CC(F)=C1C(=O)O D96192 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.894 CC1=CC=C(O)C(C(=O)O)=C1F AT21288 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.894 NC1=C(I)C=CC(F)=C1C(=O)O D77901 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.894 O=C(O)C1=C(I)C(Br)=CC=C1I AT18569 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.894 O=C(O)C1=C(I)C(F)=CC=C1I AT18562 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.894 O=C(O)C1=C(I)C=CC(F)=C1Br AT14987 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.46 C=CC1=C(C(=O)O)C=C(Cl)C=C1 D77884 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.453 O=C(O)C1=C(Br)C=NC(CO)=N1 P11964 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.258 C[C@H](N)C1=CC=CC(C(N)=O)=C1 Y14481 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.258 NC(=O)C1=NC=CC(C(=O)O)=C1 CS1824 [0,2,0,0,0,0|1,0,1]=4 226 B12R2.202 CC1=NC2=C(C=CC=C2O)O1 D77022 [0,0,0,1,0,1|2,0,0]=4 227 B12R2.202 ClC1=CC=CC2=C1OC(Br)=C2 D75799 [0,0,0,1,0,1|2,0,0]=4 228 B12R2.202 ClC1=NC2=CC=CC(Br)=C2O1 AC3185 [0,0,0,1,0,1|2,0,0]=4 229 B12R2.202 FC1=CC=CC2=C1OC(Cl)=N2 AC4467 [0,0,0,1,0,1|2,0,0]=4 230 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [0,0,0,1,0,1|1,0,0]=3 231 B12R2.132 OC1=CC2=C(C=C1)OC[C@@H]2O AT23844 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,0,0,0,1,0|2,0,0]=4 233 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [1,0,0,0,1,0|2,0,0]=4 234 B8R1.1 O=CC1=CC(F)=CS1 D74660 [1,0,0,0,1,0|2,0,0]=4 235 B8R1.1 O=CC1=CC=C(F)S1 87160 [1,0,0,0,1,0|2,0,0]=4 236 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [1,0,0,0,1,0|2,0,0]=4 237 B8R1.11 NC1=C(C=O)OC=C1 D74825 [1,0,0,0,1,0|2,0,0]=4 238 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [1,0,0,0,1,0|2,0,0]=4 239 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [1,0,0,0,1,0|2,0,0]=4 240 B8R1.11 O=CC1=C(F)C=CS1 D74567 [1,0,0,0,1,0|2,0,0]=4 241 B8R1.11 O=CC1=CSC=C1F AT17070 [1,0,0,0,1,0|2,0,0]=4 242 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,0,1|1,0,0]=3 243 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,0,1|0,0,0]=2 244 B10R1.18 O=C(O)CC1=CN=NC=C1 P19188 [1,0,0,0,0,1|2,0,0]=4 245 B10R1.18 O=C(O)CC1=NC=NC=C1 P10413 [1,0,0,0,0,1|2,0,0]=4 246 B10R1.18 O=C(O)CC1=NN=CC=C1 P10994 [1,0,0,0,0,1|2,0,0]=4