0 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,0,0,0,0,0|0,1,0]=1 1 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.12 N#CCCN1C=CC=C1 AK111457 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,0,0|1,1,0]=3 6 B8R1.8 CCCN1C=CN=C1 AK111106 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 CCOC1=NC=CS1 AK-79313 [1,0,0,0,0,0|2,1,0]=4 8 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,0,0|1,1,0]=3 9 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 ClCCC1=CN=CN1 AK-40927 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 N#CCC1=CC=CS1 AK-93470 [1,0,0,0,0,0|1,1,1]=4 12 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,0,0|1,1,0]=3 13 B8R1.8 NCCC1=CN=CS1 AK140134 [1,0,0,0,0,0|2,1,0]=4 14 B8R1.8 NCCC1=CNC=N1 AK-29414 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 NCCC1=CSC=C1 AK-28310 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 NCCC1=CSC=C1 AK-49962 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 NCCC1=NC=CN1 AK170004 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 NCCN1C=CC=C1 AK-34573 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.8 OCCC1=CN=CN1 AK144733 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.16 CCOCC1=CN=C(Cl)S1 AK-52717 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.16 CN1C=C[N+](CCCC)=C1 AK-98698 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.16 CN1C=C[N+](CCCC)=C1 AK109393 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.16 CN1C=C[N+](CCCC)=C1 AK161826 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.16 C[N+]1=CN(CCCC)C=C1 AK-44569 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.16 NC1=CN(CCOC)N=C1 AK161586 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,1,0,0,0,0|0,1,0]=2 32 B10R1.27 OCC(O)CN1N=CC=C1 AK174610 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.29 CC1=NC=CN1CCCC AK542383 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.29 CCCCC1=C(Br)SC=C1 AK-88319 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,1,0,0,0,0|1,0,1]=3 36 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,0,1,0,0,0|0,0,2]=3 38 B10R2.7 C12=C(C=CS1)CCNC2 AK-27411 [0,0,0,1,0,0|1,1,0]=3 39 B10R2.7 C12=C(CCCC1)N=CN2 AK-34912 [0,0,0,1,0,0|2,0,0]=3 40 B10R2.7 C12=CC=NN1CCCN2 AK-28324 [0,0,0,1,0,0|3,0,0]=4 41 B10R2.7 C12=CC=NN1CCNC2 AK-64087 [0,0,0,1,0,0|3,0,0]=4 42 B10R2.7 C12=CN=CN1CCNC2 AK-32291 [0,0,0,1,0,0|3,0,0]=4 43 B10R2.7 C12=CN=CN1CCNC2 AK-40349 [0,0,0,1,0,0|3,0,0]=4 44 B10R2.7 C12=CN=CN1CCNC2 AK-68831 [0,0,0,1,0,0|3,0,0]=4 45 B10R2.7 C12=CNN=C1CCCN2 AK-77921 [0,0,0,1,0,0|3,0,0]=4 46 B10R2.7 C12=NC=CN1CCCN2 AK-30113 [0,0,0,1,0,0|3,0,0]=4 47 B10R2.7 C12=NC=CN1CCNC2 AK-24877 [0,0,0,1,0,0|3,0,0]=4 48 B10R2.7 C1CC2=C(CN1)SC=N2 AK-64088 [0,0,0,1,0,0|2,1,0]=4 49 B10R2.7 C1CN2C=CC=C2CN1 AK-36181 [0,0,0,1,0,0|2,0,0]=3 50 B10R2.7 C=12N=CNC1CCNC2 AK-75890 [0,0,0,1,0,0|3,0,0]=4 51 B10R2.7 C=12NC=NC1CCNC2 AK-28307 [0,0,0,1,0,0|3,0,0]=4 52 B10R2.7 C=12NC=NC1CCNC2 AK-77390 [0,0,0,1,0,0|3,0,0]=4 53 B10R2.7 S1C2=C(C=C1)CNCC2 AK-27079 [0,0,0,1,0,0|1,1,0]=3 54 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,0,0,0,0,1|2,0,0]=3 71 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,0,0,0,0,1|3,0,0]=4 75 B7R1.1 CCC1=CC=CS1 AK-76635 [2,0,0,0,0,0|0,1,0]=3 76 B7R1.1 CCC1=NC=CN1 AK161825 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.1 CCC1=NN=CO1 AK-50871 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.1 CCN1N=CC=C1 AK-39994 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 COC1=CC=CS1 AK-60885 [2,0,0,0,0,0|1,1,0]=4 80 B7R1.1 ClCC1=CN=CO1 AK143331 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.1 ClCC1=NC=CO1 AK-33839 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 NCC1=CC=CN1 AK-39872 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.1 NCC1=CC=CS1 AK-46394 [2,0,0,0,0,0|1,1,0]=4 84 B7R1.1 NCC1=CN=CO1 AK-25086 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 NCC1=NC=CO1 AK-48266 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 OCC1=CC=CS1 AK-93468 [2,0,0,0,0,0|1,1,0]=4 87 B7R1.1 OCC1=CC=NO1 AK-68490 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.1 OCC1=CN=CO1 AK-25343 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.1 OCC1=NC=CO1 AK-29821 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [1,1,0,0,0,0|0,1,0]=3 92 B9R1.7 NC1=CC(CCC)=NO1 AK146146 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.7 NC1=NNC(CCC)=C1 AK-83429 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.11 NC(C1=CC=CS1)CO AK684513 [1,1,0,0,0,0|1,1,0]=4 95 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [1,1,0,0,0,0|1,1,0]=4 96 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.33 CCOC1=C(C)N=CO1 AK-51318 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.1 C(CC)OC1=CC=C(N=N1)N AK-24901 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.1 CCCOC1=NN=C(Cl)C=C1 AK392105 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.1 OCCCC1=CC=C(Br)N=C1 AK-80543 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,1|1,0,1]=4 114 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.24 CCCOC1=CN=CC(C)=N1 AK113460 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,1,0,0,0,1|1,0,0]=3 131 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,1,0,0,0,1|1,0,0]=3 137 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,1,0,0,0,1|1,0,0]=3 138 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,1,0,0,0,1|1,0,0]=3 139 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.29 CNCC[C@H](O)C1=CC=CS1 AK-46639 [0,2,0,0,0,0|0,1,0]=3 145 B11R1.29 O=C(C1=CC=CS1)CCNC AK123073 [0,2,0,0,0,0|0,1,1]=4 146 B11R1.230 CCCCC1=C(Br)SC(Br)=C1 AK-87962 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.4 CCCCCCC1=CC=CS1 AK-88752 [0,2,0,0,0,0|0,1,0]=3 148 B11R1.4 CCCCCCC1=CSC=C1 AK-54468 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.172 OC(=O)CCCC1=CC=CS1 AK-84520 [0,2,0,0,0,0|0,1,1]=4 151 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,2,0,0,0,0|1,0,1]=4 152 B9R2.2 C1(C2CC2)=NC=CN1 AK165338 [1,0,0,1,0,0|2,0,0]=4 153 B9R2.2 C1(C2CC2)=NNC=C1 AK-40938 [1,0,0,1,0,0|2,0,0]=4 154 B9R2.2 C1CC1N2C=CC=N2 AK100282 [1,0,0,1,0,0|2,0,0]=4 155 B9R2.3 C1CN2N=CC=C2C1 AK-40480 [1,0,0,1,0,0|2,0,0]=4 156 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [0,0,0,1,0,1|1,0,0]=3 157 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,0,0,1,0,1|2,0,0]=4 158 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,0,0,1,0,1|2,0,0]=4 159 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,0,0,1,0,1|2,0,0]=4 160 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,0,0,1,0,1|2,0,0]=4 161 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,0,0,1,0,1|2,0,0]=4 162 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,0,0,1,0,1|2,0,0]=4 163 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,0,0,1,0,1|2,0,0]=4 164 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,1|2,0,0]=4 165 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [0,0,0,1,0,1|2,0,0]=4 166 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [0,0,0,1,0,1|2,0,0]=4 167 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [0,0,0,1,0,1|2,0,0]=4 168 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [0,0,0,1,0,1|2,0,0]=4 169 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [0,0,0,1,0,1|2,0,0]=4 170 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [0,0,0,1,0,1|2,0,0]=4 171 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [0,0,0,1,0,1|2,0,0]=4 172 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [0,0,0,1,0,1|1,0,0]=3 173 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [0,0,0,1,0,1|1,0,0]=3 174 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [0,0,0,1,0,1|2,0,0]=4 175 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [0,0,0,1,0,1|2,0,0]=4 176 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [0,0,0,1,0,1|2,0,0]=4 177 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,0,0,1,0,1|2,0,0]=4 178 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,0,0,1,0,1|2,0,0]=4 179 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,0,0,1,0,1|2,0,0]=4 180 B11R2.106 O=C1CCCC2=C1C=CO2 AK-63547 [0,1,0,1,0,0|0,0,1]=3 181 B11R2.106 O=C1CCCC2=C1C=CS2 AK-46453 [0,1,0,1,0,0|0,1,1]=4 182 B11R2.10 BrC1=NC2=C(CCCC2)S1 AK-31371 [0,1,0,1,0,0|1,1,0]=4 183 B11R2.10 NC1=CC=2CCCCC2S1 AK126754 [0,1,0,1,0,0|0,1,0]=3 184 B11R2.10 NC1=NC2=C(CCCC2)S1 AK-82739 [0,1,0,1,0,0|1,1,0]=4 185 B11R2.352 NC1=NNC(=C1)C2CCC2 AK-40301 [0,1,0,1,0,0|2,0,0]=4 186 B11R2.18 C12=C(C=CS1)CCCNC2 AK167529 [0,1,0,1,0,0|0,1,0]=3 187 B11R2.36 OC1CCC2=NC=CN2C1 AK142368 [0,1,0,1,0,0|2,0,0]=4