0 B12R1.118 CCN(CC)CC1=CC=CC=C1 CS-0015347 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 CS-0151245 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CC(CO)CC1=CC=CC=C1 CS-0162816 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.40 COC(=O)CC1=CC=NC=C1 CS-0015139 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 COC(=O)CC1=NC=CC=C1 CS-0020075 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 COC(=O)OC1=CC=CC=C1 CS-0115513 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CS-0453652 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.418 [C@@H](CC1=CC=CC=C1)(NC)C(=O)O CS-W005388 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.3080 COP(=O)(OC)OC1=CC=CC=C1 CS-0929180 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.45 CCC1CC2=CC=CC=C2C1=O CS-W016159 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 CS-0030582 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.57 [C@@H]1(CO)CC2=CC=CC=C2CN1 CS-W014288 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 CS-4287 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 CS-0067945 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 CS-0031418 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.12 COC(CO)C1=CC=CC=C1 CS-0028761 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.12 COC(OC)C1=CC=CC=C1 CS-Z0014 [0,0,0,0,1,0|0,0,0]=1 21 B11R1.12 COC(OC)C1=NC=NC=C1 CS-0054737 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.12 COP(OC)C1=CC=CC=C1 CS-0106870 [0,0,0,0,1,0|1,0,0]=2 23 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 CS-0333829 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.417 COC(\C=C\C1=CC=CC=C1)OC CS-0887443 [0,0,0,0,0,1|0,0,1]=2 25 B10R1.17 BrCCCC1=CC=CC=C1 CS-0015315 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.17 CCCCC1=CC=NC=C1 CS-0186972 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W010048 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W013103 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W014862 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CCCC[N+]1=CC=CC=C1 CS-W017638 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.17 ClCCCC1=CC=CC=C1 CS-W016261 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 ICCCC1=CC=CC=C1 CS-0187748 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 OCCCC1=CC=CC=C1 CS-0015960 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 C=C(C)CC1=CC=CC=C1 CS-0451102 [2,0,0,0,0,0|0,0,2]=4 38 B10R1.18 CC(Br)CC1=CC=CC=C1 CS-0204904 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [2,0,0,0,0,0|0,0,2]=4 40 B10R1.18 CC(C)OC1=CC=CN=C1 CS-0028731 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.18 CC(O)CC1=CC=CC=C1 CS-0154057 [2,0,0,0,0,0|0,0,0]=2 42 B10R1.18 C[SiH](C)CC1=CC=CC=C1 CS-0129591 [2,0,0,0,0,0|0,1,0]=3 43 B12R1.32 CN(CCN)CC1=CC=CC=C1 CS-0151249 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 CS-0431735 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 CS-0669236 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 CS-0311514 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 CS-M0641 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS-W018755 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS-0016959 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CS-0031345 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CS-W015540 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 CS-W017890 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 CS-0331501 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS-W017878 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CS-W020023 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CS-W020670 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 CS-0099715 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 CS-0094448 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS-W001084 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS-W004989 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 CS-0088560 [1,1,0,0,0,0|0,0,2]=4 73 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 CS-0088534 [1,1,0,0,0,0|0,0,2]=4 74 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 CS-0181582 [1,1,0,0,0,0|0,0,2]=4 75 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 CS-0019183 [1,1,0,0,0,0|0,0,2]=4 76 B12R1.194 CC[N+](C)(C)CC1=CC=CC=C1 CS-7764 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS-0042528 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS-W019167 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [1,1,0,0,0,0|0,0,2]=4 80 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [1,1,0,0,0,0|0,0,2]=4 81 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [1,1,0,0,0,0|0,0,2]=4 82 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [1,1,0,0,0,0|0,0,2]=4 83 B12R1.371 COC(=O)CC1=CC=CC=C1F CS-0061879 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.371 COC(=O)CC1=CC=CC=C1I CS-0132055 [1,1,0,0,0,0|0,0,2]=4 85 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 CS-0150667 [0,1,0,0,1,0|0,0,0]=2 86 B12R1.12 COC(OC)C1=NC=C(Br)C=C1 CS-0612271 [0,1,0,0,1,0|1,0,0]=3 87 B12R1.13 COC(OC)C1=NC(C)=NC=C1 CS-W022015 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.13 COC(OC)C1=NC(N)=NC=C1 CS-W022174 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.243 COC(OC)C1=CC=CC=C1Br CS-0196429 [0,1,0,0,1,0|0,0,0]=2 90 B12R1.475 COP(=O)(OC)C1=CC=CC=C1 CS-W022633 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.475 CO[Si](C)(OC)C1=CC=CC=C1 CS-0150978 [0,1,0,0,1,0|0,1,0]=3 92 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 CS-W010811 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CS-0020718 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CS-0059225 [0,1,0,0,1,0|2,0,0]=4 95 B14R1.494 CCOC(CC1=CC=CC=C1)OCC CS-0071553 [0,2,0,0,0,0|0,0,0]=2 96 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CS-0147958 [0,2,0,0,0,0|1,0,0]=3 97 B12R2.18 CC1CC2=CC=CC=C2C1=O CS-W018228 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.18 CC1NC2=C(C=CC=C2)C1C CS-0137235 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O CS-W007401 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O CS-0034926 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O CS-W002530 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.24 CC1CCC2=CC=CC=C2N1 CS-W019554 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.24 CC1CNC2=C(C=CC=C2)C1 CS-W021961 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.24 CN1CCC2=CC=CC=C2C1 CS-0186657 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.24 CN1CCC2=CC=CC=C2C1 CS-0197549 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 CS-0620216 [1,0,0,1,0,0|0,0,2]=4 108 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [1,0,0,1,0,0|0,0,2]=4 109 B12R2.24 OC1CCC2=CC=CC=C2C1 CS-W004310 [1,0,0,1,0,0|1,0,0]=3 110 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.24 [C@@H]1(N)CCC2=CC=CC=C2C1 CS-W007303 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.24 [C@H]1(N)CCC2=CC=CC=C2C1 CS-W006551 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.27 OCC1CC1C2=CC=CC=C2 CS-0156344 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.32 CNC1CC2=C(C=CC=C2)C1 CS-0062934 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.32 OCC1CC2=C(C=CC=C2)C1 CS-B1058 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.32 OCC1CC2=CC=CC=C2O1 CS-0031351 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.2 C1=CC=C(C2=NCCO2)C=C1 CS-W016346 [0,0,0,1,1,0|1,0,1]=4 118 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS-W008926 [0,0,0,1,1,0|2,0,0]=4 119 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 CS-0042556 [0,0,0,1,1,0|2,0,0]=4 120 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 CS-W021168 [0,0,0,1,1,0|2,0,0]=4 121 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-0156600 [0,0,0,1,1,0|2,0,0]=4 122 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-W006442 [0,0,0,1,1,0|2,0,0]=4 123 B14R2.101 C1=CC=C(NC[C@@H]2CCCN2)C=C1 CS-W017399 [0,0,0,1,0,1|2,0,0]=4 124 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 CS-0073757 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 CS-0200224 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.6 C1=CC=C(C[C@@H]2CNCCO2)C=C1 CS-0188089 [0,1,0,1,0,0|1,0,0]=3 127 B14R2.6 C1=CC=C(C[C@@H]2COCCN2)C=C1 CS-0098383 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 CS-0040342 [0,1,0,1,0,0|1,0,0]=3 129 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 CS-0616749 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 CS-0098380 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 CS-0311511 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 CS-0155864 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [1,0,0,0,1,0|1,0,1]=4 134 B10R1.15 C=CC(O)C1=CC=CC=C1 CS-0204865 [1,0,0,0,1,0|1,0,1]=4 135 B10R1.15 CC(C#N)C1=CC=CC=C1 CS-0218001 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.15 CC(CO)C1=CC=CC=C1 CS-0130519 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.15 CCC(Br)C1=CC=CC=C1 CS-0037459 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.15 CCN(C)C1=CC=CC=C1 CS-0152044 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [1,0,0,0,1,0|2,0,0]=4 140 B10R1.15 CC[C@H](O)C1=CC=CC=C1 CS-0179412 [1,0,0,0,1,0|1,0,0]=3 141 B10R1.15 CNC(C)C1=CC=CC=C1 CS-0154090 [1,0,0,0,1,0|1,0,0]=3 142 B10R1.15 CNC(C)C1=CC=CC=N1 CS-0216753 [1,0,0,0,1,0|2,0,0]=4 143 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 CS-0098020 [1,0,0,0,1,0|1,0,0]=3 144 B10R1.15 CN[C@H](C)C1=CC=CC=C1 CS-0098019 [1,0,0,0,1,0|1,0,0]=3 145 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [1,0,0,0,1,0|1,0,1]=4 146 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CS-0266758 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.15 C[C@H](CO)C1=CC=CC=C1 CS-0204249 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CS-W016520 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.15 OC(CBr)C1=CC=CC=C1 CS-W021594 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [1,0,0,0,1,0|2,0,0]=4 152 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CS-W011049 [1,0,0,0,1,0|2,0,0]=4 153 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [1,0,0,0,1,0|2,0,0]=4 154 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 CS-0156604 [1,0,0,0,1,0|2,0,0]=4 155 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 CS-0188416 [1,0,0,0,1,0|2,0,0]=4 156 B10R1.15 [C@@H](O)(CC)C1=CC=CC=C1 CS-W017753 [1,0,0,0,1,0|1,0,0]=3 157 B10R1.9 COC(OC)C1=NNC=C1 CS-0061890 [0,0,0,0,2,0|2,0,0]=4 158 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS-W000322 [1,0,0,0,0,1|2,0,0]=4 159 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [1,0,0,0,0,1|0,0,2]=4 160 B12R1.27 COC(=O)COC1=CC=CC=C1 CS-W016060 [1,0,0,0,0,1|0,0,2]=4 161 B12R1.27 COC(=O)CSC1=CC=CC=C1 CS-W017097 [1,0,0,0,0,1|0,0,2]=4 162 B12R1.27 COC(=O)NCC1=CC=CC=C1 CS-0150648 [1,0,0,0,0,1|0,0,2]=4 163 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 CS-M1051 [1,0,0,0,0,1|2,0,0]=4 164 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 CS-0035654 [1,0,0,0,0,1|2,0,0]=4 165 B12R1.27 OCC(O)COC1=CC=CC=C1 CS-W017807 [1,0,0,0,0,1|2,0,0]=4 166 B14R1.546 COC(COCC1=CC=CC=C1)OC CS-0150653 [0,0,0,0,0,2|0,0,0]=2