0 B11R1.40 c1cc(cnc1)CC(=O)NN DA-27595 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C#CCNc1ccccc1 DA-44583 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.17 CCC#Cc1ccccc1 DA-23884 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [1,0,0,0,0,0|1,0,2]=4 5 B12R1.32 CNCC(Cc1ccccc1)O DA-30606 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.43 CC(=O)C(Cc1ccccc1)Br DA-24004 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br DA-28947 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.49 CCC(C)Oc1ccc(cc1)I DA-29298 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.49 CNC(=O)Cc1ccc(cc1)N DA-21370 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.50 COC(=O)Cc1cccc(c1)I DA-33226 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.194 CNS(=O)(=O)Cc1ccccc1 DA-43391 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.18 CC1Cc2cccnc2C1=O DA-38247 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.18 Cc1cc2ccccc2n1N DA-25960 [0,0,0,1,0,0|1,0,2]=4 14 B12R2.24 c1ccc2c(c1)CC(CO2)N DA-34980 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.27 c1cnccc1C2CC2CN DA-28065 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.32 CCC1Cc2ccccc2N1 DA-26215 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.32 CNN1Cc2ccccc2C1 DA-42693 [0,0,0,1,0,0|1,0,0]=2 18 B12R2.32 CNc1cc2ccccc2[nH]1 DA-41842 [0,0,0,1,0,0|1,0,2]=4 19 B12R2.2058 c1cnccc1CC2CNC2 DA-22730 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.15 CC(c1ccccc1)ON DA-42022 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [0,0,0,0,1,0|1,0,1]=3 22 B12R1.27 CC(CO)OCc1ccccc1 DA-28973 [0,0,0,0,0,1|2,0,0]=3 23 B12R1.27 COC(CCc1ccccc1)Cl DA-32035 [0,0,0,0,0,1|2,0,0]=3 24 B12R1.27 c1ccc(cc1)CCC(CN)O DA-29820 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.8 CNCc1ncccn1 DA-47975 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 c1ccc(cc1)CNN DA-35038 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 c1cnncc1CCN DA-38977 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.1 C#CCCc1ccc(cc1)Br DA-41405 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.1 CC#CCc1ccc(cc1)F DA-30679 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.1 COCOc1ccc(cc1)I DA-29297 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.16 C#CCC(c1ccccc1)N DA-29100 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.16 CCCC(c1ccccc1)Br DA-32217 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.17 CCCNc1ccccc1Br DA-26719 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.17 CCCOc1ccccc1N DA-25688 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.17 Cc1ccccc1CCCO DA-25812 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.17 Cc1ccccc1CCNC DA-41369 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.24 C=CCCc1cccc(c1)Br DA-29670 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.24 CCCCc1cccc(c1)Br DA-29659 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.24 CCCNc1cccc(c1)Br DA-23897 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.24 CNCCc1cccc(c1)O DA-24438 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.24 c1cc(cc(c1)Br)CCCN DA-25559 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.24 c1cc(cc(c1)O)CCC#N DA-43101 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.28 C#CCOCc1ccccc1 DA-31825 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.28 CCCNCc1ccccn1 DA-42238 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.28 CCCNCc1cccnc1 DA-43358 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.28 CCCNCc1ccncc1 DA-41654 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 CNCC=Cc1ccccc1 DA-41977 [1,1,0,0,0,0|0,0,1]=3 48 B11R1.28 c1ccc(cc1)OCCCN DA-23258 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.20 CC(C)Nc1ccc(cn1)N DA-42217 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.20 CC(C)Nc1ccc(nc1)N DA-48351 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.20 CC(C)Oc1ccc(cn1)O DA-36101 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.20 CC(C)Oc1ccc(nc1)Br DA-26780 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.20 CC(C)Oc1ccc(nc1)Cl DA-26460 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.20 CC(C)Oc1ccc(nc1)N DA-37253 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.20 CN(C)Cc1ccc(nc1)N DA-36571 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.86 CC(C)Cc1ccccc1N DA-26081 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.86 CC(C)Cn1ccccc1=O DA-29292 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.86 CC(C)Oc1c(cccn1)Cl DA-23849 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.86 CC(C)Oc1cccnc1Cl DA-47862 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.86 CC(C)Oc1cccnc1N DA-23493 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.157 CC(C)Cc1cccc(c1)O DA-25332 [1,1,0,0,0,0|0,0,0]=2 65 B11R1.157 CC(C)Oc1cc(ccn1)I DA-39310 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.157 CC(C)Oc1cccc(c1)O DA-23494 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.157 CC(C)Oc1cccc(n1)Cl DA-26417 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.157 CC(C)Oc1cccc(n1)N DA-36102 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.157 CC(C)Oc1ccnc(c1)N DA-39281 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.157 CN(C)Cc1cc(cnc1)Br DA-37679 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.157 CN(C)Cc1cccc(c1)I DA-32026 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.157 CN(C)Cc1cccc(c1)O DA-24518 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.157 CN(C)Cc1cccc(n1)Cl DA-36236 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.509 CC(C)(C)Oc1ccccn1 DA-25671 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.7 CC(CO)(c1ccccc1)N DA-40677 [0,1,0,0,1,0|2,0,0]=4 76 B11R1.12 c1ccc(cc1)C(CN)CN DA-25719 [0,1,0,0,1,0|2,0,0]=4 77 B11R1.22 CCC(C)c1ccc(nc1)N DA-37012 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.22 CNC(=O)c1ccc(cc1)Cl DA-41687 [0,1,0,0,1,0|1,0,1]=4 79 B11R1.23 CCC(c1cccc(c1)Br)Br DA-43571 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.23 CCC(c1cccc(c1)Br)O DA-31228 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.23 CNC(=O)c1cccc(c1)I DA-23501 [0,1,0,0,1,0|1,0,1]=4 82 B13R1.15 CNC(=O)CCc1cccc(c1)N DA-24140 [0,1,0,0,0,1|1,0,1]=4 83 B13R1.15 CNC(=O)COc1cccc(c1)N DA-28497 [0,1,0,0,0,1|1,0,1]=4 84 B13R1.42 CC(CCCl)OCc1ccccc1 DA-31824 [0,1,0,0,0,1|1,0,0]=3 85 B13R1.42 CC(CCI)OCc1ccccc1 DA-31823 [0,1,0,0,0,1|1,0,0]=3 86 B13R1.42 CC(CCO)NCc1ccccc1 DA-24999 [0,1,0,0,0,1|1,0,0]=3 87 B13R1.135 CN(C(=O)Cc1ccccc1)OC DA-40182 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.254 CC(C)(CO)NCc1ccccc1 DA-48288 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.254 CC(C)(CO)OCc1ccccc1 DA-27870 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.417 c1ccc(cc1)CCC(CO)CO DA-44153 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.86 COC(C(c1ccccc1)Br)OC DA-32249 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.133 CC(=C(C)Cc1ccc(cc1)Br)C DA-29649 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.133 CC(=O)C(Cc1ccc(cc1)Cl)Br DA-24040 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.148 CC(=O)C(Cc1cccc(c1)Cl)Br DA-24042 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.148 CC(Cc1cccc(c1)N)C(=O)O DA-25289 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.145 CCC(CC)Oc1ccc(cc1)I DA-23014 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.249 CC(C)(Cc1ccc(cc1)Br)OC DA-29648 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.81 CCC(Cc1cccc(c1)OC)O DA-31168 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)N DA-24141 [0,2,0,0,0,0|2,0,0]=4 100 B11R2.1 CC1COc2c1cccc2 DA-27551 [1,0,0,1,0,0|2,0,0]=4 101 B11R2.20 c1cc2c(nc1)CCNC2 DA-38319 [1,0,0,1,0,0|1,0,0]=3 102 B11R2.20 c1cncc2c1CCNC2 DA-30427 [1,0,0,1,0,0|1,0,0]=3 103 B11R2.239 c1cc(cnc1)C2CNC2 DA-25608 [1,0,0,1,0,0|1,0,0]=3 104 B11R2.239 c1cc(nnc1)C2CNC2 DA-25004 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.239 c1cc(nnc1)C2CNC2 DA-25609 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.239 c1cnccc1C2CNC2 DA-22343 [1,0,0,1,0,0|1,0,0]=3 107 B11R2.239 c1cnccc1C2CNC2 DA-22344 [1,0,0,1,0,0|1,0,0]=3 108 B11R2.10 CC1Cc2cccnc2N1 DA-27422 [1,0,0,1,0,0|1,0,0]=3 109 B11R2.40 CC1(CO1)c2ccccn2 DA-28588 [0,0,0,1,1,0|2,0,0]=4 110 B11R2.40 CC1(CO1)c2cccnc2 DA-25338 [0,0,0,1,1,0|2,0,0]=4 111 B11R2.40 CC1(CO1)c2ccncc2 DA-22799 [0,0,0,1,1,0|2,0,0]=4 112 B13R2.10 c1ccc(cc1)C2CCC(C2)N DA-23248 [0,0,0,1,0,1|2,0,0]=4 113 B13R2.32 CN1c2ccccc2NCC1=O DA-24832 [0,0,0,1,0,1|1,0,1]=4 114 B13R2.57 CNN1CCc2ccccc2C1 DA-24692 [0,0,0,1,0,1|1,0,0]=3 115 B13R2.57 c1ccc2c(c1)CC(CN2)CO DA-30368 [0,0,0,1,0,1|2,0,0]=4 116 B13R2.3203 CC1(CO1)COc2ccccc2 DA-25936 [0,0,0,1,0,1|1,0,0]=3 117 B13R2.64 c1ccc(cc1)CC2=NCCC2 DA-37964 [0,1,0,1,0,0|0,0,2]=4 118 B13R2.221 c1ccc(cc1)CC2(CCC2)O DA-29724 [0,1,0,1,0,0|1,0,0]=3 119 B13R2.45 Cn1c2ccccc2cc1CN DA-29238 [0,1,0,1,0,0|0,0,2]=4 120 B13R2.8137 c1ccc(cc1)C(C2CCC2)N DA-42027 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.435 CC(C)C1Cc2ccccc2N1 DA-26050 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.1069 c1cc(ccc1OC2CCC2)Br DA-29638 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.3028 CC1Cc2ccc(cc2N1C)Br DA-36541 [0,1,0,1,0,0|0,0,0]=2 124 B13R2.3683 CN1CCc2cc(ccc2C1)N DA-30424 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 DA-35841 [0,1,0,1,0,0|1,0,1]=4 126 B13R2.3683 c1cc2c(cc1O)CNC(=O)C2 DA-35645 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.155 CN1CCc2ccc(cc2C1)N DA-30423 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.155 CN1CCc2ccc(cc2C1)O DA-30422 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.3021 c1cc(cc(c1)Br)NC2CCC2 DA-23906 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.3021 c1cc(cc(c1)Br)OC2CCC2 DA-29666 [0,1,0,1,0,0|2,0,0]=4 131 B13R2.222 CC1(Cc2ccccc2C=N1)C DA-24735 [0,1,0,1,0,0|0,0,2]=4 132 B13R2.222 CC1(Cc2ccccc2CN1)C DA-30415 [0,1,0,1,0,0|0,0,0]=2 133 B13R2.217 c1ccc(c(c1)CC2(CC2)O)Cl DA-31427 [0,1,0,1,0,0|2,0,0]=4 134 B13R2.4825 Cc1cc2c(n1C)cccc2Br DA-23152 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.12 CNCCc1ccco1 DA-44520 [1,0,0,0,1,0|1,0,0]=3 136 B9R1.12 CNCCc1cccs1 DA-41516 [1,0,0,0,1,0|1,0,0]=3 137 B9R1.13 CC(Cc1nccs1)N DA-30516 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.13 CC(Cn1cccn1)N DA-31631 [1,0,0,0,1,0|2,0,0]=4 139 B9R1.11 CC(c1cccs1)NC DA-43516 [0,0,0,0,2,0|1,0,0]=3 140 B13R1.718 COC(CCCc1ccccc1)Cl DA-31948 [0,0,0,0,0,2|2,0,0]=4