0 B12R1.34 CN(C(=O)c1ccccc1)OC H54253 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.34 c1ccc(cc1)C(\C(=N\O)\N)O H58446 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 C=CCC(c1ccccc1)O H53466 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.16 CCCC(=O)c1ccccc1 A11345 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.16 CCCC(C)c1ccccc1 B20114 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 CNCC(c1ccccc1)O L08111 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [1,0,0,0,0,0|0,0,2]=3 19 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.36 CC(C)C(c1ccccc1)O B20729 [1,0,0,0,0,0|0,0,0]=1 22 B11R1.36 CC(c1ccccc1)N(C)C A17989 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.40 CC(CN)Oc1ccccc1 H50720 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.40 CCN(C)Cc1ccccc1 L08520 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.47 CCCC(C)C(c1ccccc1)O B20596 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.47 CCOC(=O)C(c1ccccc1)O A17412 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.152 C[C@@H]([C@@H](c1ccccc1)O)N(C)C 41570 [0,1,0,0,0,0|0,0,0]=1 39 B13R2.32 CC1CCc2ccccc2C1=O H31865 [0,0,0,1,0,0|1,0,2]=4 40 B13R2.8137 c1ccc(cc1)C(=O)C2CCC2 B25146 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.15 C#CC(c1ccccc1)O L09549 [2,0,0,0,0,0|0,0,2]=4 42 B10R1.15 CC(CBr)c1ccccc1 L16267 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.15 CC(CN)c1ccccc1 H36338 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 CC(CO)c1ccccc1 B23473 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.15 CCC(=O)c1ccccc1 A15140 [2,0,0,0,0,0|0,0,2]=4 46 B10R1.15 CCC(C)c1ccccc1 B22962 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.15 CCC(c1ccccc1)O A10830 [2,0,0,0,0,0|0,0,0]=2 48 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [2,0,0,0,0,0|0,0,0]=2 50 B10R1.15 CC[C@H](c1ccccc1)N L16319 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.15 CC[C@H](c1ccccc1)O L05681 [2,0,0,0,0,0|0,0,0]=2 52 B10R1.15 CNC(=O)c1ccccc1 A18057 [2,0,0,0,0,0|0,0,2]=4 53 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [2,0,0,0,0,0|0,0,2]=4 56 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [2,0,0,0,0,0|0,0,2]=4 57 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.15 c1ccc(cc1)C(CN)O H63932 [2,0,0,0,0,0|0,0,0]=2 60 B10R1.15 c1ccc(cc1)C(CO)O L04551 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [2,0,0,0,0,0|0,0,2]=4 65 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [2,0,0,0,0,0|0,0,0]=2 66 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.17 C#CCCc1ccccc1 L12946 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.17 CCCC[n+]1ccccc1 19740 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 CCCC[n+]1ccccc1 H26995 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 CNCCc1ccccn1 H50190 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.17 c1ccc(cc1)CCC#N L06483 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 c1ccc(cc1)CCC=O A10367 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 c1ccc(cc1)CCCBr A14050 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.17 c1ccc(cc1)CCCCl B20445 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.17 c1ccc(cc1)CCCI H53420 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.17 c1ccc(cc1)CCCN L03023 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 c1ccc(cc1)CCCO A13022 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.18 CC(=C)Cc1ccccc1 B20370 [2,0,0,0,0,0|0,0,2]=4 83 B10R1.18 CC(C)Cc1ccccn1 B22349 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.18 CC(C)Cc1cccnc1 B22080 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.18 CC(C)Cc1cnccn1 A10245 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.18 CC(C)Nc1ccccc1 L10646 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.18 CC(C)Sc1ccccc1 A17124 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.18 CN(C)Cc1ccccc1 A12191 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [2,0,0,0,0,0|0,1,0]=3 90 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [2,0,0,0,0,0|1,0,1]=4 92 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.30 CCCCC(c1ccccc1)O L04646 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.39 CC(CC=C)(c1ccccc1)O B20248 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.20 CC(C)C(=O)c1ccc(cc1)F H26036 [1,1,0,0,0,0|0,0,2]=4 100 B12R1.478 CN(C)C(C#N)c1ccccc1 H27631 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.478 CN(C)C(CN)c1ccccc1 H50291 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.564 CC(C)(C)C(=O)c1ccccc1 L08729 [1,1,0,0,0,0|0,0,2]=4 103 B12R1.564 c1ccc(cc1)C(C(Cl)(Cl)Cl)O L06694 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.564 c1ccc(cc1)C(C(F)(F)F)O B21235 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.118 COC(Cc1ccccc1)OC A18730 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [1,1,0,0,0,0|1,1,0]=4 107 B14R1.58 CCC(CC)N[C@@H](C)c1ccccc1 L18357 [0,1,0,0,0,1|2,0,0]=4 108 B14R1.58 CCC(CC)N[C@H](C)c1ccccc1 L18356 [0,1,0,0,0,1|2,0,0]=4 109 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.92 CC1(CC1c2ccccc2)C B21271 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [1,0,0,1,0,0|2,0,0]=4