0 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,0,0,0,0,0|1,1,1]=3 4 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC(C)C1=NN=C(Br)S1 B64862 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(C)C1=NN=C(N)N1 P40374 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CC(C)C1=NN=C(N)O1 A12272 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(C)C1=NN=C(N)S1 A41253 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC(C)C1=NOC(N)=C1 P41431 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 CC(C)N1C=C(Br)C=N1 B43323 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC(C)N1C=C(N)C=N1 P41490 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC1=CSC(B(O)O)=C1 M4580 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.1 C#CC1=NC(C)=CS1 E42681 [1,0,0,0,0,0|0,0,2]=3 23 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=CN=C(CO)S1 M41173 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1=CNC(C#N)=N1 M40951 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,0,0,0,0,0|1,1,1]=4 28 B8R1.1 CC1=CSC(C#N)=N1 M8139 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.1 CC1=CSC(CN)=N1 M64512 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.1 CC1=NC(CCl)=NO1 C40128 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.1 CC1=NC(CN)=CO1 M41196 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 CC1=NC(CN)=CO1 M41310 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,0,0,0,0,0|0,0,0]=1 38 B8R1.1 CN1C=CC(CCl)=N1 C25609 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 CN1C=CC(CN)=N1 M9952 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 CN1C=CC(CO)=N1 M9953 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 CN1C=NC(CCl)=N1 C40197 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.1 CN1C=NC(CN)=N1 A14790 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 CN1C=NC(CN)=N1 M29766 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.1 CN1C=NC(CO)=N1 M14789 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.1 COC1=NC(Br)=CS1 B2259 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 CSC1=NC(Br)=CS1 T2262 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.1 N#CC1=NC(Br)=CS1 B13694 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.1 N#CC1=NC(Cl)=CS1 C7757 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.1 NCC1=CC(Br)=CS1 B41112 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.1 OCC1=CC(Br)=CS1 B12759 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 OCC1=NC(Br)=CN1 B32450 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 OCC1=NC(Br)=CS1 B10817 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 CC(=O)C1=NC=CN1 K67604 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 CC(=O)C1=NC=CS1 A22587 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,0,0,0,0,0|1,1,0]=3 59 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.7 CC(C)C1=NNC=C1 P9834 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 CC(C)N1C=CC=N1 P41426 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 CC(C)N1C=CN=N1 P41243 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,0,0,0,0,0|2,1,0]=4 65 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 N=C(N)C1=NC=CS1 T8198 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 NC(=O)C1=NC=CS1 T61005 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.7 O=C(O)C1=NC=CS1 T9224 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.31 CC(C)C1=NC(C=O)=CS1 F2077 [0,1,0,0,0,0|0,0,1]=2 76 B10R1.31 CC(C)C1=NC(CCl)=CS1 C2078 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.31 CC(C)C1=NC(CN)=CS1 A2450 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.31 CC(C)C1=NC(CO)=CS1 H2956 [0,1,0,0,0,0|0,0,0]=1 79 B10R1.31 CC(C)C1=NOC(CN)=C1 A2395 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.31 CCC1=CSC(C(=O)O)=N1 E43152 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.55 CC(C)(C)C1=CC(N)=NS1 I11822 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.55 CC(C)(C)C1=NSC(N)=N1 B61299 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.55 CC(C)(O)C1=NC(Br)=CS1 B2064 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.55 CC(C)(O)C1=NC=C(Br)S1 B5834 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.55 CC1=CC(C(C)(C)C)=NN1 B5935 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.55 C[Si](C)(C)C1=NC(Br)=CS1 B3062 [0,1,0,0,0,0|1,1,0]=3 87 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 B45953 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.59 CC(C)C1=C(Br)SC(N)=N1 A43324 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.59 CC1=NN(C(C)C)C(N)=C1 A43836 [0,1,0,0,0,0|2,0,0]=3 90 B10R2.14 CN1C=NC(C2CC2)=C1 M15305 [0,0,0,1,0,0|3,0,0]=4 91 B10R2.14 IC1=CN=C(C2CC2)N1 C43027 [0,0,0,1,0,0|2,0,1]=4 92 B10R2.14 NC1=NC(C2CC2)=CS1 C43261 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,0,0,0,0,1|2,0,1]=4 95 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [0,0,0,0,0,1|3,0,0]=4 98 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [0,0,0,0,0,1|2,0,0]=3 102 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [0,0,0,0,0,1|2,0,0]=3 103 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,0,0,0,0,1|2,0,0]=3 105 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.13 CN(C)C1=CN=C(Br)C=N1 B43265 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.13 CN(C)C1=NC=C(Br)C=N1 B43267 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.13 CN(C)C1=NC=C(N)C=N1 D41446 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 C43282 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F14039 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F29648 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,0,0,0,0,1|1,0,1]=3 128 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,0,0,0,0,1|2,0,1]=4 129 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.113 CN(C)C1=CN=CC(Cl)=N1 C43273 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.113 CN(C)C1=CN=CC(I)=N1 D2672 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.113 CN(C)C1=NC=CC(Br)=N1 B9089 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 C43278 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,0,0,0,0,1|3,0,0]=4 152 B7R1.1 BrCC1=NC=CN1 B40117 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.1 C=CC1=NC=CS1 V41009 [2,0,0,0,0,0|0,0,2]=4 154 B7R1.1 CCC1=NC=CN1 E68629 [2,0,0,0,0,0|1,0,0]=3 155 B7R1.1 CCC1=NN=CO1 E37555 [2,0,0,0,0,0|1,1,0]=4 156 B7R1.1 CNC1=NC=CS1 M67793 [2,0,0,0,0,0|1,0,0]=3 157 B7R1.1 CNC1=NC=NS1 M32356 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.1 COC1=CC=CS1 M41123 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.1 COC1=NC=CS1 M2608 [2,0,0,0,0,0|1,0,0]=3 160 B7R1.1 CSC1=NC=CO1 M40164 [2,0,0,0,0,0|1,1,0]=4 161 B7R1.1 ClCC1=NC=CO1 C40107 [2,0,0,0,0,0|1,1,0]=4 162 B7R1.1 N#CC1=NC=CS1 C15601 [2,0,0,0,0,0|1,0,1]=4 163 B7R1.1 NCC1=CC=CS1 A12813 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.1 NCC1=NC=CN1 A14237 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.1 NCC1=NC=CN1 K40331 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.1 NCC1=NC=CS1 A11223 [2,0,0,0,0,0|1,0,0]=3 167 B7R1.1 NCC1=NC=CS1 T11224 [2,0,0,0,0,0|1,0,0]=3 168 B7R1.1 NCC1=NC=CS1 T24256 [2,0,0,0,0,0|1,0,0]=3 169 B7R1.1 NNC1=NC=CS1 H39914 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.1 O=CC1=NC=CS1 T2877 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.1 OCC1=CC=CS1 T12815 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.1 OCC1=NC=CN1 I38716 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.1 OCC1=NC=CO1 X14019 [2,0,0,0,0,0|1,1,0]=4 174 B7R1.1 OCC1=NC=CS1 H3028 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.2 BrC1=CSC(Br)=N1 D2472 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.2 CC1=CC(Br)=CS1 B40867 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.2 CC1=CC=C(C)S1 D43320 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.2 CC1=CN=C(C)S1 D38993 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.2 CC1=CNC(Br)=N1 B40115 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.2 CC1=CNC(C)=N1 D41187 [2,0,0,0,0,0|1,0,0]=3 181 B7R1.2 CC1=CNC(I)=N1 K40123 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.2 CC1=COC(N)=N1 A2053 [2,0,0,0,0,0|1,1,0]=4 183 B7R1.2 CC1=CSC(Br)=N1 B2087 [2,0,0,0,0,0|1,0,0]=3 184 B7R1.2 CC1=CSC(C)=N1 D41174 [2,0,0,0,0,0|0,0,0]=2 185 B7R1.2 CC1=CSC(N)=C1 A0597 [2,0,0,0,0,0|2,0,0]=4 186 B7R1.2 CC1=NC(Br)=CN1 B2121 [2,0,0,0,0,0|2,0,0]=4 187 B7R1.2 CC1=NC(Br)=CS1 B2069 [2,0,0,0,0,0|1,0,0]=3 188 B7R1.2 CC1=NN(C)C=C1 D4115 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.2 CC1=NSC(Br)=N1 B39817 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.2 CC1=NSC(Cl)=N1 C39820 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.2 CC1=NSC(N)=N1 A39858 [2,0,0,0,0,0|2,0,0]=4 192 B7R1.2 ClC1=CSC(Br)=N1 B37462 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.2 ClC1=CSC(Cl)=N1 D23613 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.2 ClC1=NC(Br)=CS1 B5835 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.2 NC1=CSC(N)=N1 T39915 [2,0,0,0,0,0|2,0,0]=4 196 B7R1.2 NC1=NC(Br)=CS1 A23949 [2,0,0,0,0,0|2,0,0]=4 197 B7R1.2 NC1=NC(O)=CS1 A39839 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.2 OC1=NC(Br)=CS1 B39814 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.7 CC1=CC=C(CCO)O1 M43716 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.23 CC1=C(C)SC(C#N)=N1 C7813 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.23 CC1=C(C)SC(C=O)=N1 D25172 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [1,1,0,0,0,0|0,0,0]=2 205 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.11 COC(=O)C1=NC=CS1 M40994 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.19 CC(C)(C)C1=NC=CN1 D1577 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.19 CC(C)(C)C1=NNC=C1 B1379 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.19 CC(C)(C)N1C=CC=N1 B20476 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.19 CC(C)(O)C1=NC=CS1 D5833 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.19 C[Si](C)(C)C1=NC=CS1 T2744 [1,1,0,0,0,0|0,1,0]=3 216 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.43 CC(=O)NC1=NC(CCl)=CS1 A2703 [0,1,0,0,0,1|1,0,1]=4 219 B11R1.80 CC1=NC(CC(C)C)SC1C B50558 [0,1,0,0,0,1|0,0,2]=4 220 B11R1.74 CC(C)C1=CC(Cl)=NC(N)=N1 C43691 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.74 CC1=NC(N(C)C)=CC(Cl)=N1 C36848 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 B50227 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.155 CC(C)(C)C1=CC=NC(Cl)=N1 C32250 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.155 CC(C)(C)C1=NC=CC(Cl)=N1 B46863 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.155 CC(C)(C)C1=NC=CC(N)=N1 A47053 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.155 CC(C)(O)C1=CC=CC(Br)=N1 B46794 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.155 CC(C)(O)C1=CC=CC(Cl)=N1 C46802 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 P69106 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 C12032 [0,1,0,0,0,1|1,0,1]=4 230 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C46864 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.45 CC(C)(C)C1=CSC(CO)=N1 B47067 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.124 CNCC1=CSC(C(C)C)=N1 I4965 [0,2,0,0,0,0|0,0,0]=2 234 B11R1.124 CNCC1=CSC(C(C)C)=N1 P49557 [0,2,0,0,0,0|0,0,0]=2 235 B11R1.124 CNCC1=CSC(C(C)C)=N1 P49677 [0,2,0,0,0,0|0,0,0]=2 236 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 P46418 [0,2,0,0,0,0|0,0,1]=3 237 B11R1.79 CN1N=C(C(C)(C)C)C=C1N B60898 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.646 CC1=NN(C(C)(C)C)C(N)=C1 M12008 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,1,1,0,0|1,0,1]=4 240 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [1,0,0,1,0,0|2,0,0]=4 241 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [1,0,0,1,0,0|2,0,0]=4 242 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [1,0,0,1,0,0|1,0,0]=3 243 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [1,0,0,1,0,0|2,0,0]=4 244 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [0,0,0,1,0,1|2,0,0]=4 245 B11R2.34 BrC1=CN=C(C2CC2)N=C1 B15587 [0,0,0,1,0,1|2,0,0]=4 246 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [0,0,0,1,0,1|2,0,0]=4 247 B11R2.34 BrC1=NC=C(C2CC2)N=C1 B64845 [0,0,0,1,0,1|2,0,0]=4 248 B11R2.34 ClC1=NN=C(C2CC2)C=C1 C45620 [0,0,0,1,0,1|2,0,0]=4 249 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [0,0,0,1,0,1|2,0,0]=4 250 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [0,0,0,1,0,1|2,0,0]=4 251 B11R2.34 NC1=CN=C(C2CC2)N=C1 A14646 [0,0,0,1,0,1|2,0,0]=4 252 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [0,0,0,1,0,1|2,0,0]=4 253 B11R2.34 O=C1C=CC(C2CC2)=NN1 C45982 [0,0,0,1,0,1|2,0,0]=4 254 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [0,0,0,1,0,1|2,0,0]=4 255 B11R2.21 O=CC1=CSC(C2CC2)=N1 C37706 [0,1,0,1,0,0|0,0,1]=3 256 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [1,0,0,0,0,1|2,0,0]=4 257 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [1,0,0,0,0,1|2,0,0]=4 258 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [1,0,0,0,0,1|2,0,0]=4 259 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [1,0,0,0,0,1|2,0,0]=4 260 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [1,0,0,0,0,1|2,0,0]=4 261 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [1,0,0,0,0,1|2,0,0]=4 262 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [1,0,0,0,0,1|2,0,0]=4 263 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [1,0,0,0,0,1|2,0,0]=4 264 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [1,0,0,0,0,1|2,0,0]=4 265 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [1,0,0,0,0,1|2,0,0]=4 266 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [1,0,0,0,0,1|2,0,0]=4 267 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [1,0,0,0,0,1|2,0,0]=4 268 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [1,0,0,0,0,1|2,0,0]=4 269 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [1,0,0,0,0,1|2,0,0]=4 270 B9R1.2 COC1=NC(C)=CC=C1 M46380 [1,0,0,0,0,1|2,0,0]=4 271 B9R1.2 COC1=NC(C)=CC=N1 M43202 [1,0,0,0,0,1|2,0,0]=4 272 B9R1.2 COC1=NC(C)=NC=C1 M43205 [1,0,0,0,0,1|2,0,0]=4 273 B11R1.20 CC(C)NC1=NC=C(Br)C=N1 B2456 [0,0,0,0,0,2|2,0,0]=4 274 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,0,0,0,0,2|2,0,0]=4 275 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,0,0,0,0,2|2,0,0]=4 276 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,0,0,0,0,2|2,0,0]=4 277 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,0,0,0,0,2|2,0,0]=4 278 B11R1.20 CC(C)OC1=NN=C(I)C=C1 K46336 [0,0,0,0,0,2|2,0,0]=4 279 B11R1.157 CC(C)OC1=CC=NC(Cl)=N1 C63876 [0,0,0,0,0,2|2,0,0]=4