0 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 CC(CN)Oc1ccccc1 H50720 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.40 CCN(C)Cc1ccccc1 L08520 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.40 COC(=O)Oc1ccccc1 B25232 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O H65675 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.57 c1ccc2c(c1)CC(NC2)CO H65933 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.57 c1ccc2c(c1)C[C@@H](NC2)CO H65401 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.64 c1ccc(cc1)CC2=NCCN2 B21764 [0,0,0,1,0,0|2,0,1]=4 12 B11R1.12 B(c1ccccn1)(OC)OC H53067 [0,0,0,0,1,0|2,0,0]=3 13 B11R1.12 CCC(C#N)c1ccccc1 A17093 [0,0,0,0,1,0|3,0,0]=4 14 B11R1.12 CCN(CC)c1ccccc1 A10560 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.12 CCP(CC)c1ccccc1 10180 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.12 COC(c1ccccc1)OC A11009 [0,0,0,0,1,0|0,0,0]=1 17 B11R1.12 COP(c1ccccc1)OC A14006 [0,0,0,0,1,0|1,0,0]=2 18 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [0,0,0,0,1,0|2,0,0]=3 19 B13R1.417 CC[C@H](CO)NCc1ccccc1 H50328 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.17 C#CCCc1ccccc1 L12946 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 CCCC[n+]1ccccc1 19740 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 CCCC[n+]1ccccc1 H26995 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 CNCCc1ccccn1 H50190 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 c1ccc(cc1)CCC#N L06483 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 c1ccc(cc1)CCC=O A10367 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 c1ccc(cc1)CCCBr A14050 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 c1ccc(cc1)CCCCl B20445 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 c1ccc(cc1)CCCI H53420 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 c1ccc(cc1)CCCN L03023 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 c1ccc(cc1)CCCO A13022 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.18 CC(=C)Cc1ccccc1 B20370 [2,0,0,0,0,0|0,0,2]=4 35 B10R1.18 CC(C)Cc1ccccn1 B22349 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.18 CC(C)Cc1cccnc1 B22080 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.18 CC(C)Cc1cnccn1 A10245 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.18 CC(C)Nc1ccccc1 L10646 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 CC(C)Sc1ccccc1 A17124 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 CN(C)Cc1ccccc1 A12191 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [2,0,0,0,0,0|0,1,0]=3 42 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.34 CN(C(=O)c1ccccc1)OC H54253 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [1,1,0,0,0,0|0,0,2]=4 49 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [1,1,0,0,0,0|0,1,0]=3 57 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.12 COC(c1ccc(cc1)Br)OC H55283 [0,1,0,0,1,0|0,0,0]=2 59 B12R1.13 Cc1nccc(n1)C(OC)OC H52426 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.475 CC(c1ccccc1)(OC)OC H55696 [0,1,0,0,1,0|0,0,0]=2 61 B12R1.475 CCC(CC)(c1ccccc1)O B20871 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,1,0,0,1,0|2,0,0]=4 64 B14R1.58 CCC(CC)N[C@@H](C)c1ccccc1 L18357 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.58 CCC(CC)N[C@H](C)c1ccccc1 L18356 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.494 CCOC(OCC)Oc1ccccc1 B21498 [0,2,0,0,0,0|1,0,0]=3 67 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.2 c1ccc(cc1)C2NCCS2 H62823 [0,0,0,1,1,0|1,1,0]=4 71 B14R2.101 c1ccc(cc1)CCC2NCCS2 H62323 [0,0,0,1,0,1|1,1,0]=4 72 B14R2.101 c1ccc(cc1)NC[C@@H]2CCCN2 L19043 [0,0,0,1,0,1|2,0,0]=4 73 B14R2.101 c1ccc(cc1)NC[C@H]2CCCN2 L19042 [0,0,0,1,0,1|2,0,0]=4 74 B14R2.6 c1ccc(cc1)CC2CCNCC2 B23883 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.15 C#CC(c1ccccc1)O L09549 [1,0,0,0,1,0|1,0,1]=4 76 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,0,0,0,1,0|2,0,0]=4 77 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,0,0,0,1,0|2,0,0]=4 78 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.15 CC(CN)c1ccccc1 H36338 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.15 CC(CO)c1ccccc1 B23473 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.15 CCC(C)c1ccccc1 B22962 [1,0,0,0,1,0|1,0,0]=3 82 B10R1.15 CCC(c1ccccc1)O A10830 [1,0,0,0,1,0|1,0,0]=3 83 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,0,0,0,1,0|2,0,0]=4 84 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,0,0,0,1,0|1,0,0]=3 85 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,0,0,0,1,0|1,0,0]=3 87 B10R1.15 COC(=O)c1ccccc1 44368 [1,0,0,0,1,0|0,0,2]=4 88 B10R1.15 COC(=O)c1ccccc1 A12404 [1,0,0,0,1,0|0,0,2]=4 89 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,0,0,0,1,0|2,0,0]=4 90 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,0,0,0,1,0|2,0,0]=4 91 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,0,0,0,1,0|2,0,0]=4 92 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,0,0,0,1,0|2,0,0]=4 94 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,0,0,0,1,0|2,0,0]=4 95 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,0,0,0,1,0|2,0,0]=4 97 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,0,0,0,1,0|2,0,0]=4 99 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,0,0,0,1,0|2,0,0]=4 100 B10R1.9 COC(c1cc[nH]n1)OC H34057 [0,0,0,0,2,0|2,0,0]=4 101 B12R1.27 CCC(C#Cc1ccccc1)O H53416 [1,0,0,0,0,1|1,0,1]=4 102 B12R1.27 COC(=O)CCc1ccccc1 L05310 [1,0,0,0,0,1|0,0,2]=4 103 B12R1.27 COC(=O)CSc1ccccc1 L12649 [1,0,0,0,0,1|0,0,2]=4 104 B12R1.27 c1ccc(cc1)OCC(CN)O H50245 [1,0,0,0,0,1|2,0,0]=4 105 B12R1.27 c1ccc(cc1)OCC(CO)O B25701 [1,0,0,0,0,1|2,0,0]=4 106 B14R1.546 COC(COCc1ccccc1)OC L08651 [0,0,0,0,0,2|0,0,0]=2