0 B7R1.1 CCC1=CC=CN1 D90555 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 CCC1=CCCC1 T72078 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 CCN1C=CC=C1 F17504 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 COC1=CC=CO1 F10347 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.1 CSC1=CC=CS1 77890 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 ClCN1C=NC=N1 I11108 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 NCC1=CC=CO1 AT17186 [0,0,0,0,0,0|1,1,0]=2 7 B7R1.1 NCC1=CC=NN1 70944 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 NCC1=CSC=N1 30352 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 NCC1=NNC=C1 39435 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 NCC1=NNC=C1 W13339 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 NCC1=NOC=C1 38445 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 O=CC1=CC=NN1 O10411 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.1 OCC1=CN=CN1 W10511 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.1 OCC1=CNC=N1 W10530 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.1 OCC1=NNC=C1 O10009 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 CC1=CCCC1 A10734 [1,0,0,0,0,0|1,0,2]=4 17 B6R1.2 CC1=CON=C1 I11485 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 CN1C=CN=C1 D91624 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 ClC1=NNC=C1 P11494 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 IC1=CC=CO1 D95176 [1,0,0,0,0,0|1,1,0]=3 21 B6R1.2 NC1=NNC=C1 F11599 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 OC1=NNC=C1 F17284 [1,0,0,0,0,0|2,0,0]=3 23 B6R1.2 OC1=NSC=C1 AT11769 [1,0,0,0,0,0|2,0,0]=3 24 B6R1.2 [Zr+3]C1C=CC=C1 D89476 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 CC1=CSC(C#N)=C1 F19686 [0,1,0,0,0,0|1,0,1]=3 26 B8R1.1 CC1=NC(CN)=CS1 AT14767 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=NC(CN)=CS1 F16719 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.1 CCC1=CC(N)=NN1 78395 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 CCN1C=CC(I)=N1 C91456 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.1 ClCN1C=C(Br)C=N1 AT21633 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 OCC1=CC=C(Br)O1 36295 [0,1,0,0,0,0|0,1,0]=2 32 B8R1.1 OCN1C=C(Br)C=N1 AT21632 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.7 C=C(C)C1=CC=CO1 AC1466 [0,1,0,0,0,0|1,1,1]=4 34 B8R1.7 C=C(C)C1=CC=CS1 AC1467 [0,1,0,0,0,0|1,0,1]=3 35 B8R1.7 C[C@H](N)C1=NN=CS1 AT18924 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,1,0,0,0,0|0,1,0]=2 37 B8R1.7 O=C(Cl)C1=NC=CS1 78817 [0,1,0,0,0,0|1,0,2]=4 38 B8R1.7 O=C(O)C1=CC=NN1 W10252 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [0,1,0,0,0,0|0,0,2]=3 41 B8R1.7 OB(O)C1=NNC=C1 AC8093 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.7 OB(O)C1=NNC=C1 F31413 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.8 CCCC1=CC=CO1 D92136 [0,1,0,0,0,0|1,1,0]=3 44 B8R1.8 CCNC1=CC=CS1 23456 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.8 CNCC1=NC=CS1 27052 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.8 CNCC1=NOC=C1 33339 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.8 NCCC1=CC=CS1 F14846 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.8 OCCC1=CNC=N1 37556 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.8 OCCN1C=CC=C1 T72813 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.8 O\N=C\C1=CC=CN1 71265 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.11 CC1=C(C=O)OC=C1 AT17117 [0,1,0,0,0,0|0,1,2]=4 52 B8R1.11 CC1=C(CCl)N=CN1 AT15568 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.11 CC1=C(CO)OC=N1 76823 [0,1,0,0,0,0|1,1,0]=3 54 B8R1.11 CN1C=NC=C1CN 71988 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.6 C=CCSCCC F13976 [0,0,1,0,0,0|1,0,2]=4 57 B6R0.6 CCC\C=C/CO D90941 [0,0,1,0,0,0|1,0,2]=4 58 B6R0.6 C\C=C/CCCO D90944 [0,0,1,0,0,0|1,0,2]=4 59 B6R0.6 C\C=C\CCCO D71247 [0,0,1,0,0,0|1,0,2]=4 60 B8R1.2 BrCC1=NC=CC=C1 D87709 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.2 C#CC1=CC=CC=C1 D90456 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.2 C=CC1=NC=CC=C1 91716 [0,0,0,0,0,1|2,0,1]=4 63 B8R1.2 CCC1=CC=CN=C1 D87724 [0,0,0,0,0,1|2,0,0]=3 64 B8R1.2 CCC1=CC=NC=C1 D90449 [0,0,0,0,0,1|2,0,0]=3 65 B8R1.2 CCC1=NC=CC=C1 AT23190 [0,0,0,0,0,1|2,0,0]=3 66 B8R1.2 COC1=CCC=CC1 78369 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.2 ClCC1=CC=NC=C1 D88171 [0,0,0,0,0,1|2,0,0]=3 68 B8R1.2 ClCC1=CN=CN=C1 P10951 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.2 ICC1=CN=CC=C1 AC6646 [0,0,0,0,0,1|2,0,0]=3 70 B8R1.2 NCC1=CC=CC=C1 T70936 [0,0,0,0,0,1|2,0,0]=3 71 B8R1.2 NCC1=CN=CN=C1 P15266 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.2 NNC1=CC=CC=C1 D91920 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.2 NNC1=CC=NC=C1 76124 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.2 NNC1=CC=NC=C1 W10667 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.2 OCC1=NC=CC=N1 W13843 [0,0,0,0,0,1|1,0,0]=2 76 B5R0.1 CC(=O)\C=C\[O-] D78712 [1,0,1,0,0,0|1,1,0]=4 77 B5R0.2 C=CC\C=C\C F19222 [1,0,1,0,0,0|1,0,1]=4 78 B5R0.2 CC\C=C/CO 23141 [1,0,1,0,0,0|0,0,2]=4 79 B5R0.2 C\C=C/C=C/C D90841 [1,0,1,0,0,0|1,0,0]=3 80 B5R0.3 C=C\C(C)=C\C D91314 [1,0,1,0,0,0|1,0,1]=4 81 B5R1.1 C1=CCC=C1 D88992 [2,0,0,0,0,0|1,0,0]=3 82 B5R1.1 [CH]1C=CC=C1 D90351 [2,0,0,0,0,0|1,0,0]=3 83 B7R1.2 CC1=CC(=O)NO1 S10286 [1,1,0,0,0,0|1,1,0]=4 84 B7R1.2 CC1=CC(=O)OC1 C16080 [1,1,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1=CC(Cl)=NN1 37270 [1,1,0,0,0,0|2,0,0]=4 86 B7R1.2 CC1=CC(N)=NN1 SC1107 [1,1,0,0,0,0|2,0,0]=4 87 B7R1.2 CC1=CC=C(C)O1 F16580 [1,1,0,0,0,0|0,1,0]=3 88 B7R1.2 CC1=CCC(=O)O1 D88375 [1,1,0,0,0,0|0,1,1]=4 89 B7R1.2 CC1=CNC(=S)N1 D73306 [1,1,0,0,0,0|2,0,0]=4 90 B7R1.2 CC1=CSC(N)=N1 AT13365 [1,1,0,0,0,0|2,0,0]=4 91 B7R1.2 CC1=NNC(I)=C1 O11450 [1,1,0,0,0,0|2,0,0]=4 92 B7R1.2 CC1=NOC(O)=C1 AC8816 [1,1,0,0,0,0|1,1,0]=4 93 B7R1.2 CN1C=C(O)C=N1 AT16001 [1,1,0,0,0,0|2,0,0]=4 94 B7R1.2 NC1=CSC(N)=N1 23528 [1,1,0,0,0,0|2,0,0]=4 95 B7R1.4 CC1=C(Br)NC=N1 23642 [1,1,0,0,0,0|2,0,0]=4 96 B7R1.4 CC1=C(C)SC=C1 C16125 [1,1,0,0,0,0|0,0,0]=2 97 B7R1.4 CC1=C(I)C=NO1 C10013 [1,1,0,0,0,0|1,1,0]=4 98 B7R1.4 CN1N=CC=C1O AT12748 [1,1,0,0,0,0|2,0,0]=4 99 B7R1.4 CN1SC=CC1=O F21330 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.1 CC1=CC=C(CS)C=C1 D91373 [0,1,0,0,0,1|1,1,0]=4 101 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [0,1,0,0,0,1|2,0,0]=4 103 B9R1.1 FC1=CC=C(CS)C=C1 AT13678 [0,1,0,0,0,1|1,1,0]=4 104 B9R1.1 NCC1=CC=C(F)C=C1 D90701 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.1 NCC1=CC=C(O)C=C1 A10196 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.1 NCC1=NC=C(Cl)C=N1 P10947 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.1 OCC1=NC=C(Cl)C=N1 P20449 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.1 SCC1=CC=C(Br)C=C1 A12220 [0,1,0,0,0,1|1,1,0]=4 109 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [0,1,0,0,0,1|1,1,0]=4 111 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [0,1,0,0,0,1|1,1,0]=4 112 B9R1.2 NCC1=CC=CC(F)=N1 24135 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.2 NCC1=CC=C[N+]([O-])=C1 52093 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.8 CNCC1=NC=CN=C1 P10399 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.8 CNCC1=NC=NC=C1 AT18327 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.8 CNCC1=NC=NC=C1 I11999 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.8 CSCC1=CC=CC=C1 D88728 [0,1,0,0,0,1|1,1,0]=4 122 B9R1.8 CSCC1=CN=CC=C1 E72352 [0,1,0,0,0,1|1,1,0]=4 123 B9R1.8 ClCCC1=NC=CC=C1 D83590 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.8 O\N=C\C1=CC=NC=C1 H10302 [0,1,0,0,0,1|1,0,1]=4 125 B9R1.8 O\N=C\C1=NC=CC=C1 W16238 [0,1,0,0,0,1|1,0,1]=4 126 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [0,1,0,0,0,1|1,1,0]=4 129 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [0,1,0,0,0,1|1,1,0]=4 134 B9R1.15 FC1=CC=CN=C1CBr P13399 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [0,1,0,0,0,1|1,0,0]=3 137 B9R1.7 CC1=CSC(CC#N)=N1 AT15789 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.7 CC1=NC(CCO)=CS1 AC3211 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.7 COCC1=NN=C(S)S1 AT18892 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.7 NC1=CN(CCO)N=C1 AT15779 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.7 OCCC1=CC(Br)=NO1 AT19717 [0,2,0,0,0,0|1,1,0]=4 142 B9R1.21 CCC1=CC=C(C=O)O1 F14735 [0,2,0,0,0,0|1,1,0]=4 143 B9R1.21 N#CC1=CC=C(CO)O1 C90562 [0,2,0,0,0,0|0,1,0]=3 144 B9R1.22 CC1=CC(C)=NN1CO D90013 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.22 CC1=CC(CO)=C(C)O1 H10999 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.22 CC1=NC(C)=C(CCl)S1 AT15039 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.22 CC1=NC(C)=C(CO)O1 33335 [0,2,0,0,0,0|1,1,0]=4 148 B9R1.23 CC1=C(Br)SC(C=O)=C1 P10375 [0,2,0,0,0,0|0,0,2]=4 149 B9R1.23 CC1=C(C)SC(C=O)=C1 AT16723 [0,2,0,0,0,0|0,0,2]=4 150 B9R1.23 CCC1=NC(C)=C(C)S1 D90557 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.35 CC(C)C1=NC(Br)=CS1 S11446 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.35 CC1=CC=C(C(=O)Cl)S1 AT16715 [0,2,0,0,0,0|0,0,2]=4 153 B9R1.35 FC(F)C1=CC(Br)=CS1 AT16463 [0,2,0,0,0,0|1,0,0]=3 154 B9R1.132 CC1=C(C)C(CO)=CS1 AT16770 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.132 CC1=CC=C(CN)N1C AT16165 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.132 CN1C(CO)=CN=C1S 94780 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [0,2,0,0,0,0|1,1,0]=4 158 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [0,2,0,0,0,0|1,0,0]=3 159 B9R1.11 COC(=N)C1=CC=CS1 77279 [0,2,0,0,0,0|0,0,1]=3 160 B9R1.19 CC(C)(C)C1=NC=CS1 AT18862 [0,2,0,0,0,0|2,0,0]=4 161 B9R1.19 CC(C)(O)C1=CC=CS1 AC6309 [0,2,0,0,0,0|0,0,0]=2 162 B9R1.19 O=S(=O)(F)C1=CC=CS1 AT22941 [0,2,0,0,0,0|1,0,1]=4 163 B9R1.41 CC(=O)C1=C(Cl)C=CS1 29879 [0,2,0,0,0,0|0,0,2]=4 164 B9R1.41 CC1=C(C(N)=O)SC=C1 30332 [0,2,0,0,0,0|0,0,2]=4 165 B9R1.41 NC(=O)C1=C(Br)C=CS1 AC6815 [0,2,0,0,0,0|0,0,2]=4 166 B9R1.41 O=C(Cl)C1=C(Br)C=CS1 29708 [0,2,0,0,0,0|0,0,2]=4 167 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 57596 [0,2,0,0,0,0|0,0,2]=4 168 B9R1.41 O=C(O)C1=C(I)C=CS1 N10453 [0,2,0,0,0,0|0,0,1]=3 169 B9R1.13 CC(=O)NC1=CC=CS1 Y10605 [0,2,0,0,0,0|0,0,2]=4 170 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,2,0,0,0,0|1,0,0]=3 171 B9R1.13 O=C(O)CN1C=CC=C1 AT16135 [0,2,0,0,0,0|2,0,0]=4 172 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.33 CNCC1=CC=CN1C AT16163 [0,2,0,0,0,0|2,0,0]=4 174 B9R1.14 OCC1=C(CO)NC=N1 98661 [0,2,0,0,0,0|2,0,0]=4 175 B7R1.24 C1=CC=CCC=C1 D89271 [0,0,1,1,0,0|2,0,0]=4 176 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [0,0,0,1,0,1|2,0,0]=4