0 B9R0.5 CCCCNC(=O)CCC D86376 [0,1,0,0,0,0|1,0,2]=4 1 B9R0.34 CCOC(=O)C[C@@H](N)CC Y13948 [0,1,0,0,0,0|2,0,1]=4 2 B9R0.34 CCOC(=O)C[C@@H](O)CC D96332 [0,1,0,0,0,0|1,0,1]=3 3 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P19105 [0,0,0,1,0,0|1,0,2]=4 4 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P18956 [0,0,0,1,0,0|0,0,2]=3 5 B9R1.1 CN[C@H]1CC[C@@H](N)CC1 AT25392 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P18076 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.1 C[C@H]1CC[C@H](CO)CN1 W19702 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AC7043 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.1 NCC1CCC(O)CC1 32841 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.1 N[C@H]1CC[C@H](CO)OC1 P20704 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.2 CC1CNCC(C#N)O1 F18933 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.2 CCN1CCN[C@@H](C)C1 Y13515 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 P18685 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18640 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.3 C[C@H]1CNC[C@H](C)N1C P17284 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.3 C[C@H]1CNC[C@H](C)N1C P17292 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.3 C[C@H]1CNC[C@H](C)N1C P17293 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.5 CC1CNCCCC1O 73109 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.7 O[C@H]1CCN(CCCl)C1 D78904 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.21 OCC1CCC(CO)O1 D85677 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.89 OC[C@H]1CNCCCO1 32455 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.89 OC[C@H]1CNCCCO1 53531 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.118 OC[C@]1(F)CCCNC1 69591 [0,0,0,1,0,0|3,0,0]=4 30 B6R0.4 C[C@H](Cl)CCCO AC5969 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.4 NCCCCCCCO D74762 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.7 CN(C)CCCCCN D83961 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.25 CCC#C[C@@](C)(O)CC 78823 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,1]=4 36 B8R1.2 BrCC1CCSCC1 D84726 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 OC[C@H]1CCCCO1 92919 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.10 OCCCC1CNC1 D96736 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.22 C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.22 F[C@H]1CCCCNC1 72929 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.22 F[C@H]1CCCNCC1 72243 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.22 N[C@H]1CCCCNC1 32198 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.22 N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.1 CC1CCC(CO)C1 72724 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.3 NC1CCC(F)CC1 AT11407 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.40 N[C@H](CO)CC1CC1 Y14036 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.50 CC1CCC(C)C1N F12413 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.52 NCC1(F)CCCC1 P17736 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.4 C[C@H]1COC[C@H](C)N1 F18925 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.4 NC1CCCC(F)C1 D96615 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.72 C[C@]1(O)CCCNC1 D97149 [1,0,0,1,0,0|1,0,0]=3 106 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 C14691 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.230 O[C@@]1(CF)CCNC[C@H]1F 73155 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.232 OC[C@]1(F)CCCNCC1 73111 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.300 CC1CNCCCC1(C)O 73166 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P14151 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.172 FCC1CNCC(CF)O1 85766 [0,1,0,1,0,0|2,0,0]=4 118 B10R2.335 OC1CCC2(CC1)CC2 P13201 [0,0,0,2,0,0|0,0,0]=2 119 B10R2.582 BrC12CCC(CC1)CC2 D75327 [0,0,0,2,0,0|1,0,0]=3 120 B10R2.582 NC12CCN(CC1)CC2 C77419 [0,0,0,2,0,0|2,0,0]=4 121 B10R2.582 OC12CCC(CC1)CC2 P18814 [0,0,0,2,0,0|0,0,0]=2 122 B10R2.71 NC1CC2CCC(C1)C2 37863 [0,0,0,2,0,0|2,0,0]=4 123 B10R2.534 C[C@H]1CNCC2(CC2)N1 81517 [0,0,0,2,0,0|2,0,0]=4 124 B10R2.41 O[C@H]1[C@H]2CNC[C@@H]1OC2 P13895 [0,0,0,2,0,0|2,0,0]=4 125 B10R2.2 OC1CC2CNCC2C1 P13125 [0,0,0,2,0,0|1,0,0]=3 126 B10R2.2 O[C@@H]1C[C@@H]2CNC[C@@H]2C1 P19002 [0,0,0,2,0,0|1,0,0]=3 127 B10R2.2 O[C@H]1C[C@@H]2CNC[C@@H]2C1 P13675 [0,0,0,2,0,0|1,0,0]=3 128 B10R2.332 O[C@@H]1CSC2(CNC2)C1 W14089 [0,0,0,2,0,0|2,0,0]=4 129 B10R2.332 O[C@H]1CCC2(CNC2)C1 P17463 [0,0,0,2,0,0|1,0,0]=3 130 B10R2.3 OC1CCC12CCNC2 P21029 [0,0,0,2,0,0|1,0,0]=3 131 B10R2.3 OC1CCC12CCOC2 84550 [0,0,0,2,0,0|1,0,0]=3 132 B10R2.1 N[C@H]1CC12CCCCC2 D84852 [0,0,0,2,0,0|2,0,0]=4 133 B10R2.484 C1CCC2(CC1)CCN2 P10691 [0,0,0,2,0,0|1,0,0]=3 134 B10R2.484 C1CCC2(CC1)CCN2 W13908 [0,0,0,2,0,0|1,0,0]=3 135 B10R2.484 C1CCC2(CCC2)NC1 37701 [0,0,0,2,0,0|2,0,0]=4 136 B10R2.484 C1COC[C@@]2(C1)CCN2 P19743 [0,0,0,2,0,0|2,0,0]=4