0 B8R1.11 C=CC1=C(C)N=CS1 HR133643 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.11 CC1=C(C#N)SC=C1 HR109626 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.11 CC1=C(C=O)C=CS1 HR115938 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.11 CC1=C(C=O)N=CN1 HR133580 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.11 CC1=C(C=O)SC=C1 HR134756 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.11 CC1=C(C=O)SC=N1 HR127636 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.11 CC1=C(CN)SC=C1 HR120374 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.11 CC1=C(CO)N=CN1 HR128534 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.11 CC1=C(CO)NC=N1 HR131832 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.11 CC1=C(CO)OC=N1 HR103087 [0,0,0,0,0,0|1,1,1]=3 10 B8R1.11 CC1=C(CO)SC=C1 HR109280 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.11 CC1=C(CO)SN=N1 HR108930 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.11 CC1=NNC=C1C=O HR106740 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.11 CC1=NOC=C1CO HR113160 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.11 CC1=NSC=C1C#N HR108587 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.11 CCN1C=CN=C1C HR142503 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.11 CN1C=CC=C1C=O HR138984 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.11 CN1C=CN=C1C=O HR135997 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.11 CN1N=CC=C1C=O HR16289 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.11 CN1N=CC=C1CN HR120987 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.11 CN1N=CC=C1CO HR113473 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.11 CN1N=CN=C1CO HR105325 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.11 CSC1=C(Br)C=CS1 HR153246 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.11 CSC1=C(C)OC=C1 HR141531 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.11 Cc1ccsc1[Mg]Br HR119679 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.11 N#CC1=C(Br)C=CS1 HR33362 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.11 N#CC1=C(Cl)C=CS1 HR32525 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.11 NC1=C(C=O)OC=C1 HR116880 [0,0,0,0,0,0|3,1,0]=4 28 B8R1.11 O=CC1=C(Br)C=CO1 HR117201 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.11 O=CC1=C(Br)C=CS1 HR5327 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.11 O=CC1=C(Br)N=CS1 HR153349 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.11 O=CC1=C(Br)SC=C1 HR30217 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.11 O=CC1=C(Cl)C=CS1 HR120922 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.11 O=CC1=C(Cl)N=CS1 HR147434 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.11 O=CC1=C(Cl)SC=C1 HR32524 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.11 O=CC1=C(I)SC=C1 HR34058 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.11 OCC1=C(Br)N=CS1 HR147771 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.1 BrCC1=CC=CS1 HR107794 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 BrCC1=CN=CN1 HR106193 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 BrCC1=CN=CS1 HR111858 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.1 Br[Mg]c1cccs1 HR115567 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 C#CC1=CC=CS1 HR115815 [1,0,0,0,0,0|1,0,2]=4 42 B7R1.1 C=CC1=CC=CS1 HR127371 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.1 C=CN1C=NC=N1 HR119635 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 C=Cn1ccnc1 HR135075 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,0,0,0|1,0,2]=4 46 B7R1.1 CNC1=CN=CO1 HR119721 [1,0,0,0,0,0|1,1,1]=4 47 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 CSC1=CC=CS1 HR119424 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 ClCC1=CC=CS1 HR130983 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 ClCC1=CN=CO1 HR116607 [1,0,0,0,0,0|1,1,1]=4 51 B7R1.1 ClCC1=CN=CS1 HR112175 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 N#CC1=CC=CS1 HR127173 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 N#CC1=CN=CO1 HR119400 [1,0,0,0,0,0|1,1,1]=4 54 B7R1.1 N#CC1=CN=CS1 HR148087 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.1 NCC1=CC=CS1 HR128270 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 NCC1=CN=CO1 HR146908 [1,0,0,0,0,0|1,1,1]=4 57 B7R1.1 NCC1=CN=CS1 HR109298 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 NCc1cncs1 HR117632 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.1 O=CC1=CC=CN1 HR133248 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 O=CC1=CC=CO1 HR147284 [1,0,0,0,0,0|2,1,0]=4 61 B7R1.1 O=CC1=CN=CO1 HR120030 [1,0,0,0,0,0|1,1,0]=3 62 B7R1.1 O=CC1=CN=CS1 HR127222 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 O=CC1=CNC=C1 HR129921 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 O=CC1=CNC=N1 HR30081 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 O=CC1=CNN=C1 HR110621 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 O=CC1=COC=C1 HR125211 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 O=CC1=COC=N1 HR107552 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 O=CC1=CON=C1 HR119632 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 O=CC1=CSC=C1 HR126177 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 O=CC1=CSC=N1 HR31792 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 O=CC1=NC=CS1 HR136906 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 O=CN1C=CN=C1 HR113111 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 O=Cc1cccs1 HR125923 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 OCC1=CC=CS1 HR136423 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 OCC1=CN=CO1 HR120976 [1,0,0,0,0,0|1,1,1]=4 76 B7R1.1 OCC1=CN=CS1 HR126084 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 SCC1=CC=CS1 HR139099 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 [Na]Sc1cnns1 HR105976 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.4 BrC1=C(Br)NC=N1 HR128306 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.4 BrC1=C(Br)SC=C1 HR129845 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.4 BrC1=C(Br)SC=N1 HR31806 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.4 CC1=C(Br)C=CS1 HR128369 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.4 CC1=C(Br)NC=N1 HR109319 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.4 CC1=C(Br)SC=C1 HR5191 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.4 CC1=C(C)NC=N1 HR8044 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.4 CC1=C(C)SC=N1 HR135526 [1,0,0,0,0,0|0,0,1]=2 87 B7R1.4 CC1=C(Cl)SC=C1 HR130722 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.4 CC1=C(S)C=CO1 HR127105 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.4 CC1=C(S)C=CO1 HR138863 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.4 CC1=C(S)C=CS1 HR109926 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.4 CC1=CC=NN1C HR125646 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.4 CC1=CNN=C1C HR107041 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.4 CC1=NC=CN1C HR128907 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.4 CC1=NNC=C1Br HR131439 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.4 CC1=NNC=C1I HR131707 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.4 CN1N=CC=C1Br HR103779 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.4 CN1N=CC=C1I HR109583 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.4 CN1N=CC=C1N HR120280 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.4 CN1N=CC=C1O HR119356 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.4 CN1N=CN=C1Br HR103652 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.4 CN1N=CN=C1N HR33305 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.4 ClC1=C(Br)C=CS1 HR31859 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.4 ClC1=C(Br)SC=C1 HR32396 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.4 ClC1=C(Cl)NC=N1 HR133734 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.4 ClC1=C(Cl)SC=C1 HR133504 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.4 IC1=C(I)NC=N1 HR34119 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.14 CCN1N=CC=C1C=O HR113668 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.14 COC1=C(C=O)SC=C1 OLSA05208 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.14 COc1ccoc1C=O HR23869 [0,1,0,0,0,0|2,1,0]=4 110 B9R1.14 CSC1=C(C=O)C=CS1 HR153249 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.14 O=CC1=C(C=O)SC=C1 HR133928 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.22 CC1=C(C#N)SC(Br)=C1 HR109304 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.22 CC1=C(CN)SC(N)=N1 HR112978 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.22 CC1=CC(C)=C(C=O)N1 HR127168 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.22 CC1=CC(C=O)=C(C)S1 HR102085 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.22 CC1=NC(C)=C(C=O)O1 HR106346 [0,1,0,0,0,0|1,1,0]=3 117 B9R1.22 CC1=NC(C)=C(C=O)S1 HR110595 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.22 CC1=NC(C)=C(CN)S1 HR118653 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.22 CC1=NC(C)=C(CO)S1 HR118967 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.22 CC1=NN(C)C=C1C=O HR108637 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 HR148547 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.22 NC1=NC(Cl)=C(C=O)S1 HR31802 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.22 O=CC1=C(Br)N=C(Br)S1 HR119009 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 HR110634 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.22 OCC1=C(Br)N=C(Br)S1 HR147747 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 HR146731 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.27 CC1=NOC(C)=C1C=O HR117980 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.27 CN1C=NC(I)=C1C=O HR101337 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.27 CN1N=CC(I)=C1C=O HR105371 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.33 CC1=C(CCCl)SC=N1 HR133331 [0,1,0,0,0,0|0,0,2]=3 131 B9R1.33 CC1=C(CCN)SC=N1 HR107058 [0,1,0,0,0,0|0,0,2]=3 132 B9R1.33 CC1=C(CCO)SC=N1 HR122761 [0,1,0,0,0,0|0,0,2]=3 133 B9R1.33 CCOC1=C(C)N=CO1 HR8651 [0,1,0,0,0,0|0,1,2]=4 134 B9R1.41 CC(=O)C1=C(Br)C=CS1 HR102323 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.41 CC(=O)C1=C(C)C=CS1 HR129084 [0,1,0,0,0,0|1,0,1]=3 136 B9R1.41 CC(=O)C1=C(C)N=CS1 HR31788 [0,1,0,0,0,0|0,0,1]=2 137 B9R1.41 CC(=O)C1=C(I)C=CS1 HR33593 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.41 CC(=O)C1=C(N)C=CS1 HR115009 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.41 CC(=O)C1=CC=NN1C HR114706 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.41 CC1=C(B(O)O)SC=C1 HR31112 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.41 CC1=C(C(=O)Cl)SC=C1 HR144159 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.41 CC1=C(C(=O)O)C=CO1 HR104389 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.41 CC1=C(C(=O)O)C=CS1 HR147298 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.41 CC1=C(C(=O)O)N=CO1 HR116832 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.41 CC1=C(C(=O)O)N=CS1 HR119592 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.41 CC1=C(C(=O)O)OC=C1 HR121818 [0,1,0,0,0,0|2,1,0]=4 147 B9R1.41 CC1=C(C(=O)O)OC=N1 HR121800 [0,1,0,0,0,0|1,1,0]=3 148 B9R1.41 CC1=C(C(=O)O)SC=C1 HR5182 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.41 CC1=C(C(=O)O)SC=N1 HR137164 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.41 CC1=C(C(N)=O)SC=C1 HR121381 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.41 CC1=C([N+](=O)[O-])SC=N1 HR111231 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.41 CC1=NNC=C1C(=O)O HR102640 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.41 CC1=NOC=C1C(=O)O HR10465 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.41 CC1=NSC=C1C(=O)O HR108273 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.41 CN1N=CC=C1C(=O)O HR120656 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.41 Cc1nnsc1C(=O)Cl HR102184 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.41 Cc1nnsc1C(=O)O HR119945 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.41 Cc1nnsc1C(N)=O HR103027 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.41 NC(=O)C1=C(N)N=CN1 HR129642 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.41 NC(=O)C1=C(N)N=CN1 HR133743 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.41 NC1=C(C(=O)O)SC=C1 HR105708 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.41 O=C(Cl)C1=C(Br)C=CS1 HR122002 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 HR108404 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.41 O=C(O)C1=C(Br)C=CS1 HR10096 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.41 O=C(O)C1=C(Cl)C=CS1 HR5491 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.41 O=C(O)C1=C(Cl)N=CS1 HR117739 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.41 O=C(O)C1=C(F)C=CS1 HR104080 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.41 O=C(O)C1=C(O)C=CS1 HR117989 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.132 O=CC1=C(Br)C(Br)=CS1 HR30445 [0,1,0,0,0,0|3,0,0]=4 170 B9R2.3 C1=CC2=C(C=CS2)S1 HR114408 [0,0,0,1,0,0|2,0,0]=3 171 B9R2.3 C1=CC2=C(S1)SC=C2 HR31809 [0,0,0,1,0,0|2,0,1]=4 172 B9R1.2 C=CC1=CC(F)=CC=C1 HR113846 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.2 C=CC1=CC=CC(Br)=C1 HR102214 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.2 C=CC1=CC=CC(Cl)=C1 HR122076 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.2 C=CC1=CC=CC(N)=C1 HR105735 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.2 CC1=CC(C=O)=CC=C1 HR128890 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.2 CC1=CC(C=O)=NC=C1 HR130135 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.2 CC1=CC=CC(C=O)=N1 HR135669 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.2 CC1=NC=CC(C#N)=C1 HR30164 [0,0,0,0,0,1|2,0,1]=4 180 B9R1.2 CC1=NC=CC(C=O)=C1 HR136587 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.2 CC1=NC=CC(C=O)=N1 HR121597 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.2 CC1=NC=CC(CN)=C1 HR33910 [0,0,0,0,0,1|2,0,1]=4 183 B9R1.2 CC1=NC=CC(CO)=C1 HR120041 [0,0,0,0,0,1|2,0,1]=4 184 B9R1.2 COC1=NC(C)=NC=C1 HR146475 [0,0,0,0,0,1|2,0,1]=4 185 B9R1.2 O=CC1=CC(Br)=NC=C1 HR135125 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.2 O=CC1=CC(Cl)=NC=C1 HR136457 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.2 O=CC1=CC(F)=NC=C1 HR124583 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.15 C=CC1=C(Br)C=CC=C1 HR102534 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.15 C=CC1=C(Cl)C=CC=C1 HR133556 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.15 C=CC1=C(F)C=CC=C1 HR129562 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.15 C=CC1=C(N)C=CC=C1 HR135916 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.15 CC1=C(C#N)C=CN=C1 HR102692 [0,0,0,0,0,1|2,0,1]=4 193 B9R1.15 CC1=C(C=O)C=CC=N1 HR120880 [0,0,0,0,0,1|2,0,0]=3 194 B9R1.15 CC1=C(C=O)C=CN=C1 HR131229 [0,0,0,0,0,1|2,0,0]=3 195 B9R1.15 CC1=CC=CC=C1C=O HR128627 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.15 CC1=CC=CN=C1C=O HR134669 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.15 CC1=CC=NC=C1C=O HR32184 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.15 CC1=NC=CC=C1C#N HR117061 [0,0,0,0,0,1|2,0,1]=4 199 B9R1.15 CC1=NC=CC=C1CO HR106318 [0,0,0,0,0,1|2,0,1]=4 200 B9R1.15 CCC1=NC=CN=C1C HR133096 [0,0,0,0,0,1|1,0,2]=4 201 B9R1.15 COC1=NC=CN=C1C HR127850 [0,0,0,0,0,1|2,0,1]=4 202 B9R1.15 COC1=NC=CN=C1C HR138330 [0,0,0,0,0,1|2,0,1]=4 203 B9R1.15 CSC1=NC=CN=C1C HR123098 [0,0,0,0,0,1|2,0,1]=4 204 B9R1.15 NC1=C(C=O)C=CN=C1 HR130656 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.15 NC1=NC=CC=C1C=O HR126656 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.15 NC1=NC=CN=C1C=O HR148344 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.15 NC1=NC=NC=C1C=O HR113284 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.15 O=CC1=C(Br)C=NC=C1 HR122757 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.15 O=CC1=C(Cl)C=NC=C1 HR129650 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.15 O=CC1=C(Cl)C=NC=C1 HR156293 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.15 O=CC1=C(F)C=NC=C1 HR111597 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.15 O=CC1=C(O)C=NC=C1 HR32036 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.15 O=CC1=C(O)N=CC=C1 HR111401 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.15 O=CC1=CC=CN=C1Br HR123822 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.15 O=CC1=CC=CN=C1Cl HR5097 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.15 O=CC1=CC=CN=C1F HR110374 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.15 O=CC1=NC=CN=C1Cl HR113420 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.15 O=CC1=NC=NC=C1Br HR118446 [0,0,0,0,0,1|3,0,0]=4 219 B6R0.6 C\C=C\C=C\C=O HR122495 [1,0,1,0,0,0|2,0,0]=4 220 B6R1.2 BrC1=CC=CS1 HR34180 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 BrC1=CN=CO1 HR146519 [2,0,0,0,0,0|1,1,0]=4 222 B6R1.2 BrC1=CN=CS1 HR33453 [2,0,0,0,0,0|1,0,0]=3 223 B6R1.2 BrC1=CNC=N1 HR9443 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 BrC1=CSC=C1 HR126013 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 BrC1=CSC=N1 HR4040 [2,0,0,0,0,0|1,0,0]=3 226 B6R1.2 BrC1=NN=CS1 HR120197 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 CC1=CC=CN1 HR147294 [2,0,0,0,0,0|1,0,1]=4 228 B6R1.2 CC1=CC=CS1 HR131866 [2,0,0,0,0,0|1,0,1]=4 229 B6R1.2 CC1=CN=CS1 HR128769 [2,0,0,0,0,0|0,0,1]=3 230 B6R1.2 CC1=CNC=C1 HR13921 [2,0,0,0,0,0|2,0,0]=4 231 B6R1.2 CC1=CNC=N1 HR7153 [2,0,0,0,0,0|1,0,0]=3 232 B6R1.2 CC1=CNN=N1 HR148271 [2,0,0,0,0,0|2,0,0]=4 233 B6R1.2 CC1=COC=C1 HR125178 [2,0,0,0,0,0|1,1,0]=4 234 B6R1.2 CC1=COC=N1 HR121299 [2,0,0,0,0,0|0,1,0]=3 235 B6R1.2 CC1=CSC=N1 HR132874 [2,0,0,0,0,0|0,0,0]=2 236 B6R1.2 CC1=NC=CN1 HR135019 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 CC1=NC=CS1 HR128073 [2,0,0,0,0,0|2,0,0]=4 238 B6R1.2 CC1=NNC=C1 HR13253 [2,0,0,0,0,0|2,0,0]=4 239 B6R1.2 CC1=NNC=N1 FOXF01203 [2,0,0,0,0,0|2,0,0]=4 240 B6R1.2 CC1=NOC=C1 HR104498 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 CC1=NSC=C1 HR105128 [2,0,0,0,0,0|2,0,0]=4 242 B6R1.2 CN1C=CC=N1 HR128244 [2,0,0,0,0,0|2,0,0]=4 243 B6R1.2 CN1C=NC=N1 HR113481 [2,0,0,0,0,0|2,0,0]=4 244 B6R1.2 ClC1=CC=CS1 HR130520 [2,0,0,0,0,0|2,0,0]=4 245 B6R1.2 ClC1=CNC=N1 HR122069 [2,0,0,0,0,0|2,0,0]=4 246 B6R1.2 ClC1=CSC=C1 HR130789 [2,0,0,0,0,0|2,0,0]=4 247 B6R1.2 ClC1=CSC=N1 HR119807 [2,0,0,0,0,0|1,0,0]=3 248 B6R1.2 FC1=CC=CS1 HR116433 [2,0,0,0,0,0|2,0,0]=4 249 B6R1.2 FC1=CNC=N1 HR112272 [2,0,0,0,0,0|2,0,0]=4 250 B6R1.2 IC1=CC=CS1 HR133352 [2,0,0,0,0,0|2,0,0]=4 251 B6R1.2 IC1=CN=CS1 HR30442 [2,0,0,0,0,0|1,0,0]=3 252 B6R1.2 IC1=CNC=N1 HR34118 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 IC1=CSC=C1 HR131727 [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 IC1=NN=CS1 HR119640 [2,0,0,0,0,0|2,0,0]=4 255 B6R1.2 NC1=CC=CS1 HR102647 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 NC1=CN=CS1 HR127505 [2,0,0,0,0,0|1,0,0]=3 257 B6R1.2 NC1=CN=CS1 HR147472 [2,0,0,0,0,0|1,0,0]=3 258 B6R1.2 NC1=CN=NS1 HR129201 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 NC1=CNC=N1 HR129839 [2,0,0,0,0,0|2,0,0]=4 260 B6R1.2 NC1=CSC=C1 HR102995 [2,0,0,0,0,0|2,0,0]=4 261 B6R1.2 NC1=CSC=N1 HR111500 [2,0,0,0,0,0|1,0,0]=3 262 B6R1.2 NC1=NN=CS1 HR132092 [2,0,0,0,0,0|2,0,0]=4 263 B6R1.2 Nc1ccsc1 HR114587 [2,0,0,0,0,0|2,0,0]=4 264 B6R1.2 SC1=CC=CS1 HR128217 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.2 SC1=CSC=C1 HR103982 [2,0,0,0,0,0|2,0,0]=4 266 B6R1.2 Sc1nncs1 HR10119 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.1 BrCC1=CN=C(Br)S1 HR147266 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.1 CC1=NC=C(C=O)N1 HR108199 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.1 CC1=NC=C(C=O)S1 HR121283 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.1 CSC1=CN=C(N)S1 HR114688 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.1 ClCC1=CN=C(Cl)S1 HR17773 [1,1,0,0,0,0|1,0,1]=4 274 B8R1.1 N#CC1=CN=C(Br)S1 HR103968 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.1 N#CC1=CN=C(Cl)S1 HR102891 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.1 N#CC1=CN=C(N)S1 HR105083 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.1 NC1=NC=C(C=O)S1 HR115929 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.1 NC1=NC=C(C=O)S1 HR147253 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.1 NC1=NC=C(CO)S1 HR112957 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.1 NCC1=CN=C(Cl)S1 HR113082 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.1 NCC1=CN=C(Cl)S1 HR148151 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.1 O=CC1=CC(Br)=CS1 HR127267 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.1 O=CC1=CC=C(Br)S1 HR132790 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.1 O=CC1=CC=C(Cl)S1 HR104946 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.1 O=CC1=CN=C(Cl)S1 HR111102 [1,1,0,0,0,0|1,0,0]=3 286 B8R1.1 O=Cc1cnc(Br)s1 HR120330 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.1 OCC1=CN=C(Br)S1 HR109795 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.7 CC(=O)C1=CN=CN1 HR107179 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.7 N=C(N)c1cccs1 HR120103 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.7 NC(=O)C1=CN=CS1 HR117462 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.7 NC(=S)C1=CN=CS1 HR117148 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.7 O=C(Cl)C1=CC=CS1 HR127265 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.7 O=C(O)C1=CC=CS1 HR126442 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.7 O=C(O)C1=CN=CO1 HR102036 [1,1,0,0,0,0|1,1,0]=4 296 B8R1.7 O=C(O)C1=CN=CS1 HR105502 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.7 O=C([O-])C1=CC=CS1 HR120572 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.7 O=C([O-])c1cccs1 HR114958 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.8 C=CCN1C=CN=C1 HR135430 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.8 O=CCC1=CC=CS1 HR104291 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.8 O\N=C\C1=CC=CS1 HR153327 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.18 BrC1=NC(Br)=C(Br)S1 HR31805 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.18 CC1=C(Br)N=C(Br)S1 HR31797 [1,1,0,0,0,0|1,0,1]=4 304 B8R1.18 CC1=C(Br)N=C(N)S1 HR108605 [1,1,0,0,0,0|1,0,1]=4 305 B8R1.18 CC1=C(Br)SC(Br)=C1 HR31807 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.18 CC1=C(Br)SC(Br)=N1 HR107376 [1,1,0,0,0,0|1,0,0]=3 307 B8R1.18 CC1=C(Br)SC(N)=N1 HR104926 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.18 CC1=C(Br)SC(N)=N1 HR110384 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.18 CC1=C(C)SC(Br)=N1 HR102601 [1,1,0,0,0,0|0,0,1]=3 310 B8R1.18 CC1=C(C)SC(N)=N1 HR107708 [1,1,0,0,0,0|0,0,1]=3 311 B8R1.18 CC1=C(C)SC(N)=N1 HR120434 [1,1,0,0,0,0|0,0,1]=3 312 B8R1.18 CC1=C(C)SC(N)=N1 HR145096 [1,1,0,0,0,0|0,0,1]=3 313 B8R1.18 CC1=C(Cl)SC(Br)=C1 HR32390 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.18 CC1=C(Cl)SC(Cl)=C1 HR126319 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.18 CC1=C(I)NC(I)=N1 HR33268 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.18 CC1=C(I)SC(I)=C1 HR118806 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [1,1,0,0,0,0|1,0,1]=4 318 B8R1.18 CC1=NC(C)=C(Br)S1 HR103403 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.18 CC1=NC(C)=C(C)O1 HR8636 [1,1,0,0,0,0|0,1,1]=4 320 B8R1.18 CC1=NC(C)=C(C)S1 HR122499 [1,1,0,0,0,0|0,0,1]=3 321 B8R1.50 CC1=C(C)N(C)C=N1 HR107111 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.2 CC1=NC=CC(C=O)=C1O HR104063 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.8 CC1=CC(C=O)=CC(C)=N1 HR33280 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.8 CC1=CC(C=O)=CC(Cl)=N1 HR111274 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 HR33723 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.113 CC(=O)C1=CC(C)=NC=C1 HR146863 [0,1,0,0,0,1|1,0,1]=4 327 B10R1.113 CC1=NC=CC(C(=O)O)=C1 HR131455 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.113 CC1=NC=CC(C(=O)O)=N1 HR107154 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.172 C=CC1=NC(OC)=CC=C1 HR113314 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.172 COC1=NC=CC(C=O)=C1 HR135456 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.172 COC1=NC=CC(C=O)=N1 HR148164 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.172 CSC1=NC=CC(C=O)=N1 HR112028 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.4 C=CCC1=C(C)C=CN=C1 HR152911 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.20 CNC1=NC=CC=C1C=O HR101599 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.20 COC1=C(C=O)C=CN=C1 HR32565 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.20 COC1=NC=CC=C1C=O HR138590 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 HR33530 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.25 CC1=NC(Cl)=CC=C1C=O HR116513 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.25 CC1=NC(F)=CC=C1C=O HR152515 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.61 CC(=O)C1=CC=CN=C1C HR119485 [0,1,0,0,0,1|1,0,1]=4 341 B10R1.61 CC(=O)C1=NC=CN=C1C HR129146 [0,1,0,0,0,1|1,0,1]=4 342 B10R1.61 CC1=C(C(=O)O)C=CC=N1 HR2458 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.61 CC1=C(C(=O)O)C=CN=C1 HR112036 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.61 CC1=C(C(N)=O)C=CN=C1 HR112685 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.61 CC1=NC=CC=C1C(N)=O HR116737 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.61 CC1=NC=CN=C1C(=O)O HR103342 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.245 CC1=CN=CC(Br)=C1C=O HR132285 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.245 CC1=CN=CC(C)=C1C=O HR113161 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.35 O=CC1=NC(Br)=C(C=O)S1 HR156432 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 HR31789 [0,2,0,0,0,0|0,0,1]=3 351 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 HR134200 [0,2,0,0,0,0|0,0,1]=3 352 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 HR31793 [0,2,0,0,0,0|0,0,1]=3 353 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 HR10101 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 HR106775 [0,2,0,0,0,0|1,0,0]=3 355 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 HR117225 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 HR148145 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.59 CC1=NC(C)=C(B(O)O)S1 HR106819 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 HR104144 [0,2,0,0,0,0|1,1,0]=4 359 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 HR32049 [0,2,0,0,0,0|1,0,0]=3 360 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 HR118367 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 HR108108 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.149 COC(=O)C1=C(C)C=CS1 HR10098 [0,2,0,0,0,0|1,0,1]=4 363 B10R1.149 COC(=O)C1=C(C)N=CS1 HR137422 [0,2,0,0,0,0|0,0,1]=3 364 B10R1.149 COC(=O)C1=C(N)N=CS1 HR118057 [0,2,0,0,0,0|1,0,1]=4 365 B10R1.149 Cc1nnsc1C(=O)NN HR104435 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.65 CC1=C(S(=O)(=O)O)SC=N1 HR111541 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.194 CC1=C(C(=O)O)SC=C1Br HR5272 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.194 CC1=CSC(C(=O)O)=C1C HR105978 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.5 CC1=CC=CN=C1C HR133818 [0,0,1,1,0,0|1,0,1]=4 370 B8R1.5 CC1=NC=CC=C1Br HR1220 [0,0,1,1,0,0|2,0,0]=4 371 B8R1.5 CC1=NC=CC=C1Cl HR115515 [0,0,1,1,0,0|2,0,0]=4 372 B8R1.5 CC1=NC=CC=C1F HR105446 [0,0,1,1,0,0|2,0,0]=4 373 B8R1.5 CC1=NC=CC=C1I HR112363 [0,0,1,1,0,0|2,0,0]=4 374 B8R1.5 CC1=NC=CC=C1N HR135664 [0,0,1,1,0,0|2,0,0]=4 375 B8R1.5 CC1=NC=CC=C1O HR6626 [0,0,1,1,0,0|2,0,0]=4 376 B8R1.5 CC1=NC=NC=C1Br HR17240 [0,0,1,1,0,0|2,0,0]=4 377 B8R1.5 CC1=NC=NC=C1Cl HR147077 [0,0,1,1,0,0|2,0,0]=4 378 B8R1.5 CC1=NC=NC=C1I HR148219 [0,0,1,1,0,0|2,0,0]=4 379 B8R1.5 CC1=NC=NC=C1N HR33990 [0,0,1,1,0,0|2,0,0]=4 380 B8R1.4 BrC1=CC=CC(Br)=N1 LAXF01505 [0,0,1,1,0,0|2,0,0]=4 381 B8R1.4 BrC1=NC(I)=CC=C1 HR113549 [0,0,1,1,0,0|2,0,0]=4 382 B8R1.4 CC1=CC(Br)=CC=C1 HR147078 [0,0,1,1,0,0|2,0,0]=4 383 B8R1.4 CC1=CC(Br)=NC=N1 HR148333 [0,0,1,1,0,0|2,0,0]=4 384 B8R1.4 CC1=CC(C)=NC=N1 HR132989 [0,0,1,1,0,0|1,0,1]=4 385 B8R1.4 CC1=CC(Cl)=NC=N1 HR13240 [0,0,1,1,0,0|2,0,0]=4 386 B8R1.4 CC1=CC(N)=NC=N1 HR102836 [0,0,1,1,0,0|2,0,0]=4 387 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,0,1,1,0,0|1,1,0]=4 388 B8R1.4 CC1=CC(O)=NC=N1 HR105356 [0,0,1,1,0,0|2,0,0]=4 389 B8R1.4 CC1=CC(O)=NC=N1 HR116470 [0,0,1,1,0,0|2,0,0]=4 390 B8R1.4 CC1=CC=CC(=S)N1 HR116107 [0,0,1,1,0,0|0,0,2]=4 391 B8R1.4 CC1=CC=CC(Br)=N1 HR1139 [0,0,1,1,0,0|1,0,0]=3 392 B8R1.4 CC1=CC=CC(C)=N1 HR146920 [0,0,1,1,0,0|1,0,0]=3 393 B8R1.4 CC1=CC=CC(Cl)=N1 HR1194 [0,0,1,1,0,0|1,0,0]=3 394 B8R1.4 CC1=CC=CC(F)=C1 HR147075 [0,0,1,1,0,0|2,0,0]=4 395 B8R1.4 CC1=CC=CC(F)=N1 HR138536 [0,0,1,1,0,0|1,0,0]=3 396 B8R1.4 CC1=CC=CC(I)=C1 HR130747 [0,0,1,1,0,0|2,0,0]=4 397 B8R1.4 CC1=CC=CC(I)=N1 HR33220 [0,0,1,1,0,0|1,0,0]=3 398 B8R1.4 CC1=CC=CC(N)=N1 HR126189 [0,0,1,1,0,0|1,0,0]=3 399 B8R1.4 CC1=CC=CC(O)=N1 HR102304 [0,0,1,1,0,0|0,1,0]=3 400 B8R1.4 CC1=CC=CC(O)=N1 HR123689 [0,0,1,1,0,0|0,1,0]=3 401 B8R1.4 CC1=CN=CC(C)=N1 HR129129 [0,0,1,1,0,0|2,0,0]=4 402 B8R1.4 CC1=CN=CC(Cl)=N1 HR107821 [0,0,1,1,0,0|2,0,0]=4 403 B8R1.4 CC1=CN=CC(N)=N1 HR106865 [0,0,1,1,0,0|2,0,0]=4 404 B8R1.4 CC1=NC(Br)=NC=C1 HR107042 [0,0,1,1,0,0|2,0,0]=4 405 B8R1.4 CC1=NC(Cl)=NC=C1 HR6906 [0,0,1,1,0,0|2,0,0]=4 406 B8R1.4 CC1=NC(N)=NC=C1 HR108556 [0,0,1,1,0,0|2,0,0]=4 407 B8R1.4 CC1=NC(O)=NC=C1 HR130877 [0,0,1,1,0,0|1,1,0]=4 408 B8R1.4 CC1=NC(O)=NC=C1 HR144704 [0,0,1,1,0,0|1,1,0]=4 409 B8R1.4 CC1=NC(S)=NC=C1 HR143163 [0,0,1,1,0,0|1,0,0]=3 410 B8R1.4 CC1=NC=CC(Br)=C1 HR4035 [0,0,1,1,0,0|2,0,0]=4 411 B8R1.4 CC1=NC=CC(Cl)=C1 HR138568 [0,0,1,1,0,0|2,0,0]=4 412 B8R1.4 CC1=NC=CC(Cl)=N1 HR16387 [0,0,1,1,0,0|2,0,0]=4 413 B8R1.4 CC1=NC=CC(F)=C1 HR112228 [0,0,1,1,0,0|2,0,0]=4 414 B8R1.4 CC1=NC=CC(I)=C1 HR120740 [0,0,1,1,0,0|2,0,0]=4 415 B8R1.4 CC1=NC=CC(N)=C1 HR123486 [0,0,1,1,0,0|2,0,0]=4 416 B8R1.4 CC1=NC=CC(N)=N1 HR107859 [0,0,1,1,0,0|2,0,0]=4 417 B8R1.4 CC1=NC=CC(O)=C1 HR136769 [0,0,1,1,0,0|2,0,0]=4 418 B8R1.4 CC1=NC=CC(O)=N1 HR112244 [0,0,1,1,0,0|1,1,0]=4 419 B8R1.4 CC1=NC=CC(O)=N1 HR113416 [0,0,1,1,0,0|1,1,0]=4 420 B8R1.4 ClC1=CC=CC(Br)=N1 HR9626 [0,0,1,1,0,0|2,0,0]=4 421 B8R1.4 ClC1=CC=CC(Cl)=N1 HR125187 [0,0,1,1,0,0|2,0,0]=4 422 B8R1.4 ClC1=NC(I)=CC=C1 HR152471 [0,0,1,1,0,0|2,0,0]=4 423 B8R1.4 FC1=CC=CC(Cl)=N1 HR116646 [0,0,1,1,0,0|2,0,0]=4 424 B8R1.4 FC1=CC=CC(F)=N1 HR9241 [0,0,1,1,0,0|2,0,0]=4 425 B8R1.4 FC1=CC=CC(S)=C1 HR5429 [0,0,1,1,0,0|2,0,0]=4 426 B8R1.4 FC1=NC(Br)=CC=C1 HR139991 [0,0,1,1,0,0|2,0,0]=4 427 B8R1.4 FC1=NC(Br)=CC=C1 HR14324 [0,0,1,1,0,0|2,0,0]=4 428 B8R1.4 IC1=CC=CC(I)=N1 HR146887 [0,0,1,1,0,0|2,0,0]=4 429 B8R1.4 NC1=CC=CC(N)=N1 HR114400 [0,0,1,1,0,0|2,0,0]=4 430 B8R1.4 NC1=CC=CC(N)=N1 HR130188 [0,0,1,1,0,0|2,0,0]=4 431 B8R1.4 NC1=CC=CC(S)=C1 HR125939 [0,0,1,1,0,0|2,0,0]=4 432 B8R1.4 NC1=NC(Br)=CC=C1 HR7663 [0,0,1,1,0,0|2,0,0]=4 433 B8R1.4 NC1=NC(Cl)=CC=C1 HR9117 [0,0,1,1,0,0|2,0,0]=4 434 B8R1.4 NC1=NC(F)=CC=C1 HR137984 [0,0,1,1,0,0|2,0,0]=4 435 B8R1.4 NC1=NC(O)=CC=C1 HR106840 [0,0,1,1,0,0|1,1,0]=4 436 B8R1.4 NC1=NC(S)=NC=C1 HR100407 [0,0,1,1,0,0|2,0,0]=4 437 B8R1.4 OC1=CC=CC(Cl)=N1 HR12988 [0,0,1,1,0,0|1,1,0]=4 438 B8R1.4 OC1=CC=CC(F)=N1 HR117733 [0,0,1,1,0,0|1,1,0]=4 439 B8R1.4 OC1=CC=CC(O)=N1 HR118512 [0,0,1,1,0,0|1,1,0]=4 440 B8R1.4 OC1=CC=CC(S)=C1 HR131802 [0,0,1,1,0,0|2,0,0]=4 441 B8R1.4 SC1=CC(Br)=CC=C1 HR127811 [0,0,1,1,0,0|2,0,0]=4 442 B8R1.4 SC1=CC(Cl)=CC=C1 HR133383 [0,0,1,1,0,0|2,0,0]=4 443 B8R1.4 Sc1cccc(S)n1 HR102605 [0,0,1,1,0,0|1,0,0]=3 444 B10R2.7 C1=CC2=C(N=CN=C2)N1 HR112774 [0,0,0,1,0,1|2,0,0]=4 445 B10R2.7 C1=CC2=CC=NC=C2N1 HR150062 [0,0,0,1,0,1|2,0,0]=4 446 B10R2.7 C1=CC2=CC=NC=C2N1 HR30088 [0,0,0,1,0,1|2,0,0]=4 447 B10R2.7 C1=CC2=CC=NC=C2S1 HR30736 [0,0,0,1,0,1|2,0,0]=4 448 B10R2.7 C1=CC2=NC=NC=C2N1 HR112054 [0,0,0,1,0,1|2,0,0]=4 449 B10R2.7 C1=CC=C2CC=CC2=C1 HR133696 [0,0,0,1,0,1|2,0,0]=4 450 B10R2.7 C1=CN=C2NC=CC2=C1 HR7679 [0,0,0,1,0,1|2,0,0]=4 451 B10R2.7 C1=CN=C2NC=CC2=N1 HR104655 [0,0,0,1,0,1|2,0,0]=4 452 B10R2.7 C1=CN=C2SC=CC2=C1 HR30727 [0,0,0,1,0,1|2,0,0]=4 453 B10R2.7 C1=CN=C2SC=CC2=N1 HR30746 [0,0,0,1,0,1|2,0,0]=4 454 B10R2.32 BrC1=CSC2=C1SC=C2 HR30655 [0,1,0,1,0,0|2,0,0]=4 455 B10R2.32 O=C1CCC2=C1SC=C2 HR147405 [0,1,0,1,0,0|1,0,1]=4 456 B10R2.2 CC1=NC2=C(C=CS2)S1 HR127983 [0,1,0,1,0,0|1,0,0]=3 457 B10R2.2 NC1=NC2=C(CCC2)S1 HR104608 [0,1,0,1,0,0|0,0,2]=4 458 B10R2.2 NC1=NC2=C(CCC2)S1 HR31801 [0,1,0,1,0,0|0,0,2]=4