0 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.2 COC1=CC(I)=CN=C1 D77741 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.2 COC1=CC(N)=CC=C1 D88266 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.2 CSC1=CC(Br)=CN=C1 71759 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 NCC1=CC=CC(F)=N1 24135 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.2 NNC1=CC(F)=CN=C1 D86941 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 BrCC1=NC=CC=C1 D87709 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 C=CC1=NC=CC=C1 91716 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.2 CCC1=CC=CN=C1 D87724 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 CCC1=CC=NC=C1 D90449 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 CCC1=NC=CC=C1 AT23190 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.2 COC1=CCC=CC1 78369 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 ClCC1=CN=CN=C1 P10951 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 ICC1=CN=CC=C1 AC6646 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 NCC1=CC=CC=C1 T70936 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 NCC1=CN=CN=C1 P15266 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 OCC1=NC=CC=N1 W13843 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.4 CC1=CC(O)=NN=C1 S10201 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.4 CC1=CC=CC([Mg+])=C1 D87849 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 CC1=CC=NC(O)=N1 35313 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 CC1=CC=NC(O)=N1 W10295 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.4 CC1=NC=CC(Cl)=N1 58075 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.2 CC1=CC=CC(CBr)=C1Br CL9684 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.8 CC1=CC(Br)=CC(CBr)=C1 52072 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.8 CC1=CC(C)=CC(CN)=C1 A10199 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.8 CC1=CC(F)=CC(CN)=C1 F20913 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.10 CCOC1=CN=CC(Cl)=N1 71907 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.30 CC1=CC(CN)=C(Cl)C=C1 W13487 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.30 CC1=CC(CO)=C(C)C=C1 A11027 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.30 CC1=CC(CO)=C(F)C=C1 CK2472 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.30 CC1=CN=C(S)C(C#N)=C1 94432 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.30 COC1=C(F)C=CC(C)=C1 22298 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.113 CC(C)C1=CC=CC(O)=C1 D87686 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.113 CC1=CC(B(O)O)=CN=C1 AT14953 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.113 CC1=CC=CC(N(C)N)=C1 T72879 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.172 CCC1=CC=CC(CC)=C1 A10815 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.176 CCC1=CC(O)=C(N)C=C1 D82162 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.176 COC1=CN=C(Br)C(Br)=C1 D80055 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 CC1=NC(CN)=CS1 AT14767 [0,0,0,0,1,0|2,0,0]=3 47 B8R1.1 CC1=NC(CN)=CS1 F16719 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.1 CC1=NC(CN)=NO1 C15963 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.1 CC1=NC=C(C=O)N1 W10346 [0,0,0,0,1,0|1,0,2]=4 50 B8R1.1 CC1=NN=C(CN)O1 AT18773 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.1 CC1=NN=C(CN)O1 C14456 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.1 CCC1=CC(N)=NN1 78395 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.1 CCC1=NNC(=S)O1 AT18826 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.1 CCC1=NOC(N)=N1 F52122 [0,0,0,0,1,0|2,0,0]=3 55 B8R1.1 CCN1C=CC(I)=N1 C91456 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.1 CCN1C=C[N+](C)=C1 D90554 [0,0,0,0,1,0|3,0,0]=4 57 B8R1.1 CCN1C=C[N+](C)=C1 D90565 [0,0,0,0,1,0|3,0,0]=4 58 B8R1.1 CCN1C=C[N+](C)=C1 D90610 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.1 CC[C@H]1CSC(C)=N1 D91374 [0,0,0,0,1,0|1,0,2]=4 60 B8R1.1 CC[N+]1=CN(C)C=C1 AC8080 [0,0,0,0,1,0|3,0,0]=4 61 B8R1.1 COC1=NC(N)=NS1 AT11906 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.1 OCC1=CC=C(Br)O1 36295 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.11 C#CC1=CN=CN1C D81734 [0,0,0,0,1,0|1,0,2]=4 64 B8R1.11 CN1C=NC=C1CN 71988 [0,0,0,0,1,0|2,0,0]=3 65 B7R0.4 C\C=C\C=C\C(C)=O D90780 [1,0,1,0,0,0|1,0,1]=4 66 B7R1.3 CC1=CCC=CC1 D91336 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 CCC1=CC=C(S)C=C1 H11883 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.1 CCC1=CN=C(C)C=C1 D88165 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.1 CNC1=CN=C(Br)C=N1 N10144 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.8 CCOC1=CN=NC=C1 C16860 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,1,0,0,0,0|0,0,0]=2 75 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.15 COC1=CC=CN=C1I D73279 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.15 COC1=NC=CN=C1I H10462 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 FC1=CC=CN=C1CBr P13399 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.34 CC1=CC(C)=CC(O)=C1 D89931 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.69 CC1=C(I)C=CC(Br)=N1 I11230 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.69 CC1=C(O)N=CC(Br)=N1 F13810 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.69 CC1=CC=C(F)C(F)=N1 22779 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.69 CC1=CC=C(N)C(F)=N1 F14968 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.69 CC1=CC=C(N)C(N)=N1 E71848 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.69 CC1=CN=C(Br)C(C)=N1 D94813 [1,1,0,0,0,0|0,0,0]=2 94 B9R1.69 CC1=CN=C(F)C(C)=C1 D84290 [1,1,0,0,0,0|1,0,0]=3 95 B9R1.69 CC1=CN=C(O)C(N)=C1 29625 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.69 CC1=NC(Cl)=C(I)C=C1 D87031 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.7 CC1=CSC(CC#N)=N1 AT15789 [0,1,0,0,1,0|1,0,1]=4 98 B9R1.7 CC1=NC(CCO)=CS1 AC3211 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.7 CCCN1C=NC(N)=N1 AT12112 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.7 CCOC1=NNC(C)=C1 AT21779 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.7 CCOC1=NNC(C)=C1 AT21780 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.7 CN1C=C(CCO)C=N1 AT16109 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.21 CCC1=CC=C(C=O)O1 F14735 [0,1,0,0,1,0|1,0,1]=4 104 B9R1.21 CCC1=NC(CCl)=NN1 AT12167 [0,1,0,0,1,0|1,0,0]=3 105 B9R1.21 CCC1=NOC(CCl)=N1 70900 [0,1,0,0,1,0|1,0,0]=3 106 B9R1.21 CCN1C=CC(CCl)=N1 AT15934 [0,1,0,0,1,0|1,0,0]=3 107 B9R1.21 CCN1C=CC(CCl)=N1 AT24105 [0,1,0,0,1,0|1,0,0]=3 108 B9R1.22 CC1=CC(C)=NN1CO D90013 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.22 CC1=NC(C)=C(CCl)S1 AT15039 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.22 CC1=NC(C)=C(CO)O1 33335 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.22 CCC1=NC(N)=NN1C AT12116 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.22 CCN1N=C(C)C=C1C C15108 [0,1,0,0,1,0|1,0,0]=3 113 B9R1.23 CCC1=NC(C)=C(C)S1 D90557 [0,1,0,0,1,0|1,0,0]=3 114 B9R1.35 CC(C)C1=NC(Br)=CS1 S11446 [0,1,0,0,1,0|2,0,0]=4 115 B9R1.35 CC(C)C1=NSC(N)=N1 AT11917 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.35 CC1=NC([C@H](C)N)=CS1 N12487 [0,1,0,0,1,0|1,0,0]=3 117 B9R1.132 CC1=CC=C(CN)N1C AT16165 [0,1,0,0,1,0|1,0,1]=4 118 B9R1.14 CCC1=CNC=C1CC F10353 [0,1,0,0,1,0|0,0,1]=3 119 B9R1.33 CNCC1=CC=CN1C AT16163 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.41 C[C@H](N)C1=NN=CN1C AT12114 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.159 CC1=CC=CC(C(C)C)=C1N D85846 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.74 CC1=CC(C)=CC(C(C)C)=C1 D91092 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.23 CC[C@H](N)C1=NC(C)=CC=C1 N10812 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.24 CCCNC1=CN=CC(Cl)=N1 F15449 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 E72076 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 20075 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.167 CN(C)C1=C(N)N=CC(Br)=N1 23954 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.21 CC(=O)C1=NC(C)=C(C)N=C1 D82539 [0,2,0,0,0,0|0,0,1]=3 133 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [1,0,0,1,0,0|2,0,0]=4 134 B9R2.3 C1=NNC2=C1CCC2 F53114 [0,0,0,1,1,0|1,0,0]=3 135 B9R2.3 C1=NNC2=C1CNC2 O10350 [0,0,0,1,1,0|2,0,0]=4 136 B11R2.106 BrC1=CN=CC2=NCCN12 CS2712 [0,1,0,1,0,0|1,0,1]=4 137 B11R2.106 CC1=C2NCCC2=CC=C1 O11660 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,1,0|0,0,1]=3 139 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,0,1,0|2,0,0]=4 140 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,1,0|2,0,0]=4 141 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,1,0|2,0,0]=4 142 B7R1.1 ClCN1C=NC=N1 I11108 [1,0,0,0,1,0|2,0,0]=4 143 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,0,1,0|2,0,0]=4 144 B7R1.1 NCC1=CC=NN1 70944 [1,0,0,0,1,0|2,0,0]=4 145 B7R1.1 NCC1=CSC=N1 30352 [1,0,0,0,1,0|2,0,0]=4 146 B7R1.1 NCC1=NNC=C1 39435 [1,0,0,0,1,0|2,0,0]=4 147 B7R1.1 NCC1=NNC=C1 W13339 [1,0,0,0,1,0|2,0,0]=4 148 B7R1.1 NCC1=NOC=C1 38445 [1,0,0,0,1,0|2,0,0]=4 149 B7R1.1 OCC1=CN=CN1 W10511 [1,0,0,0,1,0|1,0,1]=4 150 B7R1.1 OCC1=CNC=N1 W10530 [1,0,0,0,1,0|1,0,1]=4 151 B7R1.1 OCC1=NNC=C1 O10009 [1,0,0,0,1,0|2,0,0]=4 152 B7R1.2 CC1=CC=C(C)O1 F16580 [1,0,0,0,1,0|1,0,0]=3 153 B7R1.2 CC1=CSC(N)=N1 AT13365 [1,0,0,0,1,0|2,0,0]=4 154 B7R1.2 CC1=NC(N)=NN1 S10284 [1,0,0,0,1,0|2,0,0]=4 155 B7R1.2 CC1=NSC(N)=N1 80288 [1,0,0,0,1,0|2,0,0]=4 156 B7R1.4 CC1=C(C)SC=C1 C16125 [1,0,0,0,1,0|2,0,0]=4 157 B7R1.4 CC1=C(I)C=NO1 C10013 [1,0,0,0,1,0|2,0,0]=4