0 B8R1.8 CCCC1=NC=CN1 SC-18560 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCN1C=CN=C1 SC-74838 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CNCC1=CC=CS1 SC-27959 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CNCC1=CN=CO1 SC-48077 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CNCC1=COC=C1 SC-48809 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 N#CCC1=CC=NO1 SC-48614 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.8 NCCC1=CC=CS1 SC-03284 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 NCCN1C=CC=C1 SC-49071 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 NNCC1=CC=CO1 SC-42213 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 NNCC1=CC=CO1 SC-59917 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 NNCC1=COC=C1 SC-59948 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.8 NNCC1=CSC=C1 SC-59958 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 O=CCN1C=CN=C1 SC-30739 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.8 OCCC1=NC=CS1 SC-72110 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.8 [C-]#[N+]CC1=CC=CO1 SC-69729 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 BrCC1=COC=C1 SC-48102 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CCC1=NC=CN1 SC-52244 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 CCN1C=CC=N1 SC-28162 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 CNC1=CC=CO1 SC-51291 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 COC1=CC=CO1 SC-21425 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 CSC1=NN=CN1 SC-21347 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 ClCC1=CC=CN1 SC-48104 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 ClCC1=CC=NO1 SC-52808 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 ClCC1=COC=C1 SC-40384 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 ClCC1=CSC=C1 SC-65897 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 ClCC1=CSC=N1 SC-19369 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 ClCC1=NC=CN1 SC-52626 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 NCC1=COC=C1 SC-12399 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=NC=CS1 SC-27265 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 NCC1=NNC=N1 SC-72081 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.1 OCC1=CN=CS1 SC-04054 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 OCC1=NC=CN1 SC-53084 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.7 CC1=CC=C(CNN)O1 SC-59976 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.7 CC1=CC=C(CNN)S1 SC-59972 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.7 CC1=CN(CCN)N=N1 SC-48561 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.7 CC1=NC=C(CC=O)S1 SC-31180 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.7 CCCC1=CC=C(Br)O1 SC-69515 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.7 CCCC1=CC=C(Br)S1 SC-69538 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.7 NCCC1=CN=C(N)S1 SC-88278 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.7 NCCC1=CNC(N)=N1 SC-48648 [0,1,0,0,0,0|0,0,2]=3 40 B9R1.7 NNCC1=CC=C(Br)O1 SC-59952 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 NNCC1=CC=C(Cl)S1 SC-59994 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.11 CC(NN)C1=CC=CN1 SC-39030 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.11 CC(NN)C1=CC=CO1 SC-38756 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.11 CC(NN)C1=CC=CS1 SC-38803 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.11 NCC(O)C1=CC=CO1 SC-22230 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.11 O=C(CBr)C1=CC=CN1 SC-24658 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.12 BrCCCN1C=CN=C1 SC-51559 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.12 NCCCN1C=CC=C1 SC-39927 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.12 NNCCC1=CC=CS1 SC-59916 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.12 O=CCCN1C=CN=C1 SC-31596 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.12 OCCCC1=CC=CS1 SC-26610 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.13 N=C(N)CC1=CC=CS1 SC-59665 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.13 N=C(N)CC1=CSC=C1 SC-59663 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.33 CC1=C(CNN)C=CO1 SC-59914 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.33 CC1=C(CNN)OC=C1 SC-59949 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.33 CC1=C(CNN)SC=C1 SC-60059 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.33 CC1=C(CNN)SC=N1 SC-60000 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.33 CN1C=NC=C1CCN SC-82841 [0,1,0,0,0,0|0,0,0]=1 59 B9R2.3 C1=CN2CCCC2=N1 SC-83537 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.8 CCCC1=NC=CN=C1 SC-54534 [0,0,0,0,0,1|1,0,1]=3 61 B9R1.8 CNCC1=CC=CN=C1 SC-23209 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.8 CNCC1=CC=NC=C1 SC-27517 [0,0,0,0,0,1|3,0,0]=4 63 B9R1.8 ClCCC1=NC=CC=C1 SC-26329 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.8 N#CCC1=NC=CN=C1 SC-26030 [0,0,0,0,0,1|0,0,3]=4 65 B9R1.8 N#CCC1=NC=CN=C1 SC-35987 [0,0,0,0,0,1|0,0,3]=4 66 B9R1.8 N#CCC1=NC=NC=C1 SC-53704 [0,0,0,0,0,1|0,0,3]=4 67 B9R1.8 NNCC1=CC=CC=C1 SC-58205 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.8 NNCC1=CC=NC=C1 SC-41216 [0,0,0,0,0,1|2,0,0]=3 69 B9R1.8 OCCC1=NC=CC=C1 SC-00153 [0,0,0,0,0,1|2,0,1]=4 70 B6R0.6 C=CCCCCN SC-34878 [1,0,1,0,0,0|1,0,1]=4 71 B6R1.2 CC1=CC=CS1 SC-05307 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 CC1=NON=C1 SC-49430 [2,0,0,0,0,0|1,0,1]=4 73 B6R1.2 NC1=COC=C1 SC-34995 [2,0,0,0,0,0|2,0,0]=4 74 B6R1.2 NC1=COC=N1 SC-51780 [2,0,0,0,0,0|1,0,1]=4 75 B6R1.2 NC1=CSC=C1 SC-52323 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 NC1=NN=CS1 SC-04235 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.1 CC1=CC=C(CN)O1 SC-84276 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.1 CC1=CC=C(CN)S1 SC-45624 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.1 CC1=NC=C(CCl)O1 SC-67662 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.1 CC1=NC=C(CO)S1 SC-69000 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 CCC1=CN=C(Cl)S1 SC-33337 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.1 CCC1=CN=C(N)S1 SC-30947 [1,1,0,0,0,0|1,0,0]=3 83 B8R1.1 CCC1=NC(C)=CN1 SC-15454 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.1 CCC1=NN=C(N)O1 SC-52951 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.1 CCN1C=NC(N)=C1 SC-36024 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.1 NC1=NC=C(CO)S1 SC-87590 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.1 NCC1=CC(Br)=CS1 SC-54440 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.7 CC(O)C1=CC=CS1 SC-24566 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.7 N=C(N)C1=CC=CN1 SC-68668 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.11 C#CC1=CN=CN1C SC-21941 [1,1,0,0,0,0|0,0,2]=4 91 B8R1.11 CC1=C(CO)OC=N1 SC-49929 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.11 CCC1=C(N)NN=C1 SC-31632 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.11 CCC1=CNN=C1N SC-22098 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.11 CCC1=NON=C1N SC-34633 [1,1,0,0,0,0|1,0,1]=4 95 B8R1.11 CCN1C=CN=C1Cl SC-49556 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.11 CN1C=CN=C1CN SC-48248 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.11 CN1C=CN=C1CN SC-67157 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.11 CN1C=NC=C1CBr SC-68852 [1,1,0,0,0,0|1,0,0]=3 99 B8R1.11 CN1C=NN=C1CO SC-50888 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.11 CN1N=CN=C1CN SC-49503 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.11 NCC1=C(Br)C=CS1 SC-42136 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 CC1=CC=C(CCN)C=C1 SC-62322 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.1 CC1=CN=C(CNN)C=N1 SC-59959 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.1 CC1=NC=C(CNN)C=C1 SC-60318 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.1 CCCC1=CN=C(Cl)N=C1 SC-02522 [0,1,0,0,0,1|1,0,1]=4 106 B10R1.1 NCCC1=CC=C(Br)C=C1 SC-13859 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.1 NCCC1=CC=C(Br)N=C1 SC-35323 [0,1,0,0,0,1|1,0,0]=3 108 B10R1.1 NCCC1=CC=C(Cl)N=C1 SC-42199 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.1 NCCC1=CC=C(F)C=C1 SC-23207 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.1 NCCC1=CC=C(N)C=C1 SC-19480 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.1 NCCC1=NC=C(Br)C=C1 SC-32906 [0,1,0,0,0,1|1,0,1]=4 112 B10R1.1 NNCC1=CN=C(Br)C=C1 SC-41563 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.1 OCCC1=CC=C(Cl)N=C1 SC-34400 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.4 CC1=CC=CN=C1CCN SC-60324 [0,1,0,0,0,1|1,0,1]=4 115 B10R1.4 NCCC1=C(Br)C=NC=C1 SC-43174 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.4 NCCC1=CC=CN=C1Br SC-43083 [0,1,0,0,0,1|1,0,0]=3 117 B10R1.4 OCCC1=C(Br)C=NC=C1 SC-43043 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.10 ClCCC1=CN=CC(Br)=C1 SC-55490 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.10 NCCC1=CC(Br)=NC=C1 SC-73785 [0,1,0,0,0,1|1,0,0]=3 120 B10R1.10 NCCC1=CC(I)=CC=C1 SC-38633 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.10 NCCC1=NC(Cl)=CC=C1 SC-35137 [0,1,0,0,0,1|1,0,1]=4 122 B10R1.10 NCCC1=NC(F)=CC=C1 SC-34456 [0,1,0,0,0,1|1,0,1]=4 123 B10R1.10 NCCC1=NC=CC(Br)=C1 SC-42963 [0,1,0,0,0,1|1,0,1]=4 124 B10R1.10 OCCC1=CC(Br)=CN=C1 SC-41779 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.15 CC(NN)C1=CC=NC=C1 SC-38975 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.15 CC(NN)C1=CN=CC=C1 SC-38743 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.15 CC(NN)C1=NC=CN=C1 SC-39028 [0,1,0,0,0,1|1,0,1]=4 128 B10R1.15 NCC(=O)C1=CC=NC=C1 SC-31354 [0,1,0,0,0,1|1,0,1]=4 129 B10R1.15 NCC(=O)C1=CN=CC=C1 SC-45557 [0,1,0,0,0,1|1,0,1]=4 130 B10R1.17 CNCCC1=CC=NC=C1 SC-25785 [0,1,0,0,0,1|1,0,0]=3 131 B10R1.17 ClCCCC1=CC=NC=C1 SC-54620 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.17 ClCCCC1=CN=CC=C1 SC-54619 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.17 N#CCCC1=CC=NC=C1 SC-54416 [0,1,0,0,0,1|1,0,1]=4 134 B10R1.17 N#CCCC1=CN=CC=C1 SC-58524 [0,1,0,0,0,1|1,0,1]=4 135 B10R1.17 NCCCC1=CC=CC=N1 SC-49860 [0,1,0,0,0,1|1,0,1]=4 136 B10R1.17 NCCCC1=CC=CN=C1 SC-49861 [0,1,0,0,0,1|1,0,0]=3 137 B10R1.17 NCCOC1=CC=CN=C1 SC-53576 [0,1,0,0,0,1|1,0,0]=3 138 B10R1.17 NCCOC1=CC=NC=C1 SC-43788 [0,1,0,0,0,1|1,0,0]=3 139 B10R1.17 NCCSC1=CC=CC=C1 SC-40816 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.17 NNCCC1=CC=CC=N1 SC-58990 [0,1,0,0,0,1|1,0,1]=4 141 B10R1.17 NNCCC1=NC=CC=C1 SC-41708 [0,1,0,0,0,1|1,0,1]=4 142 B10R1.17 O=CCCC1=CC=NC=C1 SC-31224 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.18 N=C(N)CC1=CC=CN=C1 SC-58527 [0,1,0,0,0,1|1,0,1]=4 144 B10R1.18 N=C(N)CC1=CC=NC=C1 SC-58526 [0,1,0,0,0,1|1,0,1]=4 145 B10R1.18 NC(=O)CC1=CC=CN=C1 SC-52723 [0,1,0,0,0,1|1,0,1]=4 146 B10R1.54 NC(=O)CC1=CN=C(N)S1 SC-88275 [0,2,0,0,0,0|1,0,1]=4 147 B10R1.149 CC(NN)C1=CC=CN1C SC-38627 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.27 N[C@H](CO)CC1=CNC=N1 SC-26127 [0,2,0,0,0,0|0,0,2]=4 149 B10R1.29 CC1=NC=CN1CCCN SC-40137 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.29 CN1C=CN=C1SCCN SC-47842 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.66 O=C(O)CCC1=CC=CN1 SC-21976 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.2 NCC1=CC=NC=C1 SC-51443 [0,0,1,1,0,0|1,0,1]=4 153 B8R1.5 NC1=CC=CN=C1N SC-04611 [0,0,1,1,0,0|0,0,2]=4 154 B8R1.4 O=C1CCNC(=O)N1 SC-76644 [0,0,1,1,0,0|2,0,0]=4 155 B10R2.7 C1=CC2=C(C=C1)NCC2 SC-21552 [0,0,0,1,0,1|2,0,0]=4