0 B8R0.7 CN(C)CCCCCN D83961 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 NCCOCCC(=O)O C72750 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 CC(=O)OCCCO Y14698 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.2 NC(=O)CCCCCCO AC4329 [0,1,0,0,0,0|1,0,0]=2 4 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,1,0,0,0,0|1,0,0]=2 5 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,0,0,1,0,0|1,0,0]=2 7 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.40 CC1CNCCC1(C)O 73158 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.41 CN(C)[C@H]1CCC[C@@H]1O D79450 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.148 C[C@]1(F)CCCNCC1 73027 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.148 C[C@]1(O)CCCCNC1 73110 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.148 C[C@]1(O)CCCCNC1 D95213 [0,0,0,1,0,0|1,0,2]=4 30 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|0,0,1]=3 31 B8R0.4 NCCCCCCCO D74762 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,2,0,0,0,0|1,0,0]=3 35 B10R0.4 O=C(O)COCCOCCO C70220 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.74 COC(=O)CCCCCCO W16829 [0,2,0,0,0,0|0,0,0]=2 37 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] D86328 [0,2,0,0,0,0|2,0,0]=4 38 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.10 OCCCC1CNC1 D96736 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|0,0,2]=4 53 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.22 F[C@H]1CCCCNC1 72929 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 N[C@H]1CCCCNC1 32198 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 CC1=CCCC(=O)C1 D79894 [1,0,0,1,0,0|0,0,2]=4 66 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.31 O=C(O)C1CCC1F P19066 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.43 O=C(O)C1CC1CF P19356 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.72 CP1(=O)CCNCC1 W19671 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,1,0,1,0,0|0,0,0]=2 79 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 C14691 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.13 NC(=O)[C@@H]1CC[C@@H](N)CO1 D97069 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.171 NC[C@H]1CCCS(=O)(=O)C1 D79209 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.18 C[C@H](O)CC1CCNCC1 D79799 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.61 CC(=O)C1=C(Br)CCCC1 E70182 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,1,0,1,0,0|0,0,0]=2 92 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.300 CC1CNCCCC1(C)O 73166 [0,1,0,1,0,0|0,0,2]=4 96 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O P15975 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.2 CN1C(=O)COC[C@@H]1CO 56558 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.2 CN1CCC[C@H](CO)C1=O F14435 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.15 CSC(=S)N1CCCCC1 C76220 [0,1,0,1,0,0|1,1,0]=4 103 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.99 COC(=O)[C@H]1C[C@@H]1CCO F50052 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.93 COCC1CC(C(=O)O)C1 D79662 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 C10522 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 P17191 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D76456 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D79579 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.59 CN1C[C@H](F)C[C@H]1C(=O)O 93284 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15809 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30667 [0,1,0,1,0,0|2,0,0]=4 120 B10R2.71 NC1CC2CCC(C1)C2 37863 [0,0,0,2,0,0|1,0,1]=4 121 B10R2.71 O=C1CC2COC(C1)O2 67575 [0,0,0,2,0,0|2,0,0]=4 122 B10R2.534 O=C1CC2(CCN1)CC2 87189 [0,0,0,2,0,0|1,0,0]=3 123 B10R2.534 O=C1CCCC2(CC2)C1 P17305 [0,0,0,2,0,0|0,0,0]=2 124 B10R2.534 O=C1CNCC2(CC2)N1 P17873 [0,0,0,2,0,0|2,0,0]=4 125 B10R2.1 N[C@H]1CC12CCCCC2 D84852 [0,0,0,2,0,0|1,0,1]=4 126 B10R2.344 O=C(O)C12CCCC1C2 D96790 [0,0,0,2,0,0|1,0,0]=3 127 B10R2.344 O=C(O)C12CCNC1C2 91926 [0,0,0,2,0,0|2,0,0]=4 128 B10R2.344 O=C(O)C12CNCC1C2 38335 [0,0,0,2,0,0|2,0,0]=4 129 B10R2.351 O=C(O)C1C2CNCC21 60015 [0,0,0,2,0,0|2,0,0]=4 130 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P15778 [0,0,0,2,0,0|2,0,0]=4 131 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P15783 [0,0,0,2,0,0|2,0,0]=4 132 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P16397 [0,0,0,2,0,0|2,0,0]=4 133 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 P20232 [0,0,0,2,0,0|2,0,0]=4 134 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [0,0,0,2,0,0|1,0,0]=3 135 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [0,0,0,2,0,0|1,0,0]=3 136 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 H11466 [0,0,0,2,0,0|2,0,0]=4 137 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P14928 [0,0,0,2,0,0|2,0,0]=4 138 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P20361 [0,0,0,2,0,0|2,0,0]=4 139 B10R2.332 C=C1CNC2(CCC2)C1 50319 [0,0,0,2,0,0|2,0,0]=4 140 B10R2.332 O=C1CCC2(CCC2)N1 91437 [0,0,0,2,0,0|1,0,0]=3 141 B10R2.332 O=C1CCC2(CNC2)N1 P14552 [0,0,0,2,0,0|2,0,0]=4 142 B10R2.332 O=C1CCC2(COC2)C1 AT10514 [0,0,0,2,0,0|1,0,0]=3 143 B10R2.332 O=C1COC2(CNC2)C1 D96719 [0,0,0,2,0,0|2,0,0]=4 144 B10R2.316 O=C1CC2(CCOC2)C1 AT10549 [0,0,0,2,0,0|1,0,0]=3 145 B10R2.638 O=C(O)[C@H]1CC12COC2 P19485 [0,0,0,2,0,0|2,0,0]=4 146 B10R2.358 O=C(O)[C@H]1CCC12CC2 P20291 [0,0,0,2,0,0|1,0,0]=3