0 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.51 C[C@H]1COS(=O)(=O)O1 Y11245 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.14 CC1(Br)CCCC1 P19649 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.14 CC1(C)CCCN1 71736 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.14 CC1(C)CCCN1 71895 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.14 CC1(C)COCN1 FD10630 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.14 CC1(N)CCCC1 90423 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.133 CC1(C)CC[C@H](CO)O1 72662 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.133 CC1(C)CC[C@H](CO)O1 93336 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.133 CC1(C)CN[C@@H](CO)C1 50816 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12515 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.133 CC1(C)C[C@H](CN)CO1 P18822 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.133 CC1(C)OC[C@@H](C=O)O1 30986 [0,1,0,0,0,0|0,0,1]=2 26 B9R1.133 CC1(C)OC[C@H](CBr)O1 RB3372 [0,1,0,0,0,0|0,0,0]=1 27 B9R1.133 CC1(C)OC[C@H](CI)O1 O10179 [0,1,0,0,0,0|0,0,0]=1 28 B9R1.133 CC1(C)OC[C@H](CN)O1 C14057 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.133 CC1(C)OC[C@H](CN)O1 D75607 [0,1,0,0,0,0|0,0,0]=1 30 B9R1.146 CC1(C)CCC(C)(C)O1 D92900 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.146 CC1(C)COC(C)(C)C1 D93046 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.2 CC(C)OC(=O)CN FD21588 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.8 CC(C)(O)CCCN 31824 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.8 CC(C)(O)CCCO AB7595 [0,0,1,0,0,0|2,0,0]=3 37 B7R0.9 CC(C)OC(C)(C)C A10887 [0,0,1,0,0,0|1,0,0]=2 38 B7R0.11 CCC(C)(C)CCCl F50555 [0,0,1,0,0,0|3,0,0]=4 39 B7R0.11 CCCC(C)(C)C#N T70545 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.11 CCO[Si](C)(C)CCl I11069 [0,0,1,0,0,0|2,1,0]=4 41 B9R2.110 NC12CCC(CC1)C2 W16245 [0,0,0,1,0,0|3,0,0]=4 42 B9R2.139 C[C@@H]1CNC2(CC2)C1 84543 [0,0,0,1,0,0|2,0,0]=3 43 B9R2.139 N[C@H]1CCC2(CC2)C1 D84821 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,0,0,0,1,0|2,0,1]=4 45 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,0,0,0,1,0|2,0,1]=4 46 B7R1.16 CC1(C)CC(N)C1 P15356 [0,0,0,0,1,0|2,0,0]=3 47 B7R1.16 CC1(C)CC(O)C1 P16551 [0,0,0,0,1,0|2,0,0]=3 48 B7R1.16 CC1(N)CC(F)C1 P18908 [0,0,0,0,1,0|3,0,0]=4 49 B7R1.16 CC1(N)CC(O)C1 38885 [0,0,0,0,1,0|3,0,0]=4 50 B7R1.16 C[C@]1(N)C[C@@H](O)C1 P13531 [0,0,0,0,1,0|3,0,0]=4 51 B7R1.16 C[C@]1(N)C[C@H](O)C1 38886 [0,0,0,0,1,0|3,0,0]=4 52 B7R1.16 C[C@]1(O)C[C@@H](N)C1 38620 [0,0,0,0,1,0|3,0,0]=4 53 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.10 CC1(C)CCC(N)CC1 F12447 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,0,0,0,0,1|2,0,0]=3 58 B6R0.1 CCC[C@H](N)CO C13482 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,1,0,0,0|0,0,0]=2 60 B6R0.2 C[C@H](O)CN(C)C A11394 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.4 C#CCOC(C)C 79308 [1,0,1,0,0,0|0,0,2]=4 62 B6R0.4 CC(C)OCCBr 33996 [1,0,1,0,0,0|1,0,0]=3 63 B6R0.4 CC(C)OCCN T71353 [1,0,1,0,0,0|1,0,0]=3 64 B6R0.4 CCOCC(=O)O D73862 [1,0,1,0,0,0|1,0,1]=4 65 B6R0.4 CCOC[C@H](C)N 75202 [1,0,1,0,0,0|1,0,0]=3 66 B6R0.5 C#CCC(C)(C)O 77946 [1,0,1,0,0,0|0,0,2]=4 67 B6R0.5 CC(C)(C)CCI D86336 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.5 CC(C)(F)CCN W17442 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.5 CC(C)(O)CCN A51232 [1,0,1,0,0,0|1,0,0]=3 70 B6R0.5 CC(C)(O)CON AC7988 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.5 CNCC(C)(C)F 85781 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.8 COC(C)(C)CBr 71702 [1,0,1,0,0,0|1,0,0]=3 73 B6R1.2 C[C@H]1CCNC1 69327 [2,0,0,0,0,0|2,0,0]=4 74 B6R1.2 C[C@H]1CCSC1 70016 [2,0,0,0,0,0|1,1,0]=4 75 B6R1.2 Cl[C@H]1CCOC1 N12419 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 I[C@H]1CCOC1 37310 [2,0,0,0,0,0|2,0,0]=4 77 B6R1.2 I[C@H]1CCOC1 37311 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.5 COCC(=O)OC(C)C C11794 [0,1,1,0,0,0|1,0,1]=4 80 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,1,1,0,0,0|1,0,0]=3 81 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,1,1,0,0,0|1,0,0]=3 82 B8R0.29 CC(C)COC(C)(C)C A10962 [0,1,1,0,0,0|1,0,0]=3 83 B8R0.29 CC(C)NCC(C)(C)N C11974 [0,1,1,0,0,0|2,0,0]=4 84 B8R0.25 C=CCOC(C)(C)CO 65989 [0,1,1,0,0,0|0,0,2]=4 85 B8R0.25 CCCCC(C)(C)C=O D93253 [0,1,1,0,0,0|1,0,1]=4 86 B8R0.25 CCCCC(C)(C)CO A12319 [0,1,1,0,0,0|1,0,0]=3 87 B8R0.33 CC(C)(O)CC(C)(C)O T70643 [0,1,1,0,0,0|1,0,0]=3 88 B8R0.12 CCOC(C)(C)C(N)=O Y13484 [0,1,1,0,0,0|2,0,0]=4 89 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [1,1,0,0,0,0|1,0,0]=3 90 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.19 CC1(C)OCCC1=O P18857 [1,1,0,0,0,0|1,0,0]=3 93 B8R1.52 CC1(CN)CCCC1 72592 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.52 CC1(CO)CCCC1 90940 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.52 C[C@]1(CN)CCCO1 P18524 [1,1,0,0,0,0|1,0,0]=3 96 B8R1.52 C[C@]1(CO)CCCN1 38943 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.53 CC1(C)CC(C=O)C1 93337 [0,1,0,0,1,0|1,0,1]=4 98 B8R1.53 CC1(C)CC(CBr)C1 P12135 [0,1,0,0,1,0|1,0,0]=3 99 B8R1.53 CC1(C)CC(CO)C1 P12134 [0,1,0,0,1,0|1,0,0]=3 100 B8R1.24 CC1(C)C(N)CC1O P14117 [0,1,0,0,1,0|2,0,0]=4 101 B8R1.24 CC1(C)C(N)CC1O W11253 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.297 CC1(C)CNC(C)(C)CN1 27622 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.171 CC1(C)CCC[C@H](CN)C1 54102 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.171 CC1(C)CNC[C@H](CO)O1 62005 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.171 CC1(C)CNC[C@H](CO)O1 69552 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.171 CC1(C)CNC[C@H](CO)O1 69560 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.171 CC1(C)CNC[C@H](CO)O1 69564 [0,1,0,0,0,1|1,0,0]=3 108 B10R1.171 CC1(C)C[C@@H](C=O)CCO1 65982 [0,1,0,0,0,1|1,0,1]=4 109 B10R1.171 CC1(C)C[C@@H](CBr)CCO1 54910 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.171 CC1(C)C[C@@H](CN)CCO1 52507 [0,1,0,0,0,1|1,0,0]=3 111 B10R1.171 CC1(C)C[C@@H](CN)CCO1 65984 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.307 CC1(C)CNCC(C)(C)O1 W11151 [0,1,0,0,0,1|1,0,0]=3 113 B10R1.329 CC1CC(C)(C)OC(C)O1 D93509 [0,1,0,0,0,1|1,0,0]=3 114 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 P10045 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.238 CC1(C)CC[C@](C)(CO)O1 D94362 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.95 CC1(C)OC[C@H](CCO)O1 61345 [0,2,0,0,0,0|0,0,0]=2 117 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 26955 [0,2,0,0,0,0|0,0,1]=3 118 B10R1.359 C[C@@H](O)[C@@H]1COC(C)(C)O1 D97066 [0,2,0,0,0,0|0,0,0]=2 119 B8R1.4 CC1CNCC(C)O1 F18860 [0,0,1,1,0,0|1,0,0]=3 120 B8R1.4 CC1COCC(C)N1 P10582 [0,0,1,1,0,0|1,0,0]=3 121 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,0,1,1,0,0|2,0,0]=4 124 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,0,1,1,0,0|1,0,0]=3 125 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,0,1,1,0,0|1,0,0]=3 126 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,0,1,1,0,0|1,0,0]=3 127 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,0,1,1,0,0|1,0,0]=3 128 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,0,1,1,0,0|1,0,0]=3 129 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,0,1,1,0,0|1,0,0]=3 130 B8R1.34 CC(C)NC1COC1 32871 [0,0,1,1,0,0|1,0,0]=3 131 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,1,1,0,0|1,0,0]=3 132 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,1,1,0,0|1,0,0]=3 133 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,0,1,1,0,0|2,0,0]=4 135 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,0,1,1,0,0|1,0,0]=3 136 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,1,1,0,0|1,0,1]=4 137 B8R1.3 OC1CCC(F)CC1 P13200 [0,0,1,1,0,0|2,0,0]=4 138 B8R1.23 CC(C)N1CC(N)C1 37842 [0,0,1,1,0,0|2,0,0]=4 139 B8R1.23 CC(C)N1CC(O)C1 37460 [0,0,1,1,0,0|1,0,0]=3 140 B8R1.23 CN(C)C1CC(O)C1 P16011 [0,0,1,1,0,0|2,0,0]=4 141 B8R1.35 CC(C)CNC1CC1 AC2517 [0,0,1,1,0,0|2,0,0]=4 142 B8R1.55 CC(C)(O)[C@@H]1CCN1 P18873 [0,0,1,1,0,0|2,0,0]=4 143 B8R1.72 CC1(Br)CCCCC1 P19508 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.72 CC1(C)CNCCO1 20348 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.72 CC1(O)CCOCC1 69121 [0,0,1,1,0,0|2,0,0]=4 146 B8R1.72 CC1(O)CCSCC1 C74963 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,0,1,1,0,0|2,0,0]=4 148 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.82 COC1(CCN)CC1 P18937 [0,0,1,1,0,0|2,0,0]=4 151 B8R2.34 C1CC2CC1CN2 D73537 [1,0,0,1,0,0|2,0,0]=4 152 B8R2.34 C1CC2CC1CN2 P10332 [1,0,0,1,0,0|2,0,0]=4 153 B8R2.34 C1CC2CCC1C2 F16610 [1,0,0,1,0,0|2,0,0]=4 154 B8R2.34 C1CC2CCC1N2 39142 [1,0,0,1,0,0|2,0,0]=4 155 B8R2.34 C1OC2CNC1C2 CS1881 [1,0,0,1,0,0|2,0,0]=4 156 B8R2.34 C1OC2CNC1C2 SC1961 [1,0,0,1,0,0|2,0,0]=4 157 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [1,0,0,1,0,0|2,0,0]=4 158 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [1,0,0,1,0,0|2,0,0]=4 159 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [1,0,0,1,0,0|2,0,0]=4 160 B8R2.55 C1CNC2(C1)CC2 AT12544 [1,0,0,1,0,0|2,0,0]=4 161 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,1,1,0|2,0,0]=4 162 B10R2.534 C[C@H]1CNCC2(CC2)N1 81482 [0,0,0,1,0,1|2,0,0]=4 163 B10R2.332 C[C@@H]1CNC2(CCC2)C1 84578 [0,1,0,1,0,0|2,0,0]=4 164 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,0,1,0,1,0|0,0,0]=2 165 B6R0.7 CC(C)C(C)(C)Cl H10395 [0,0,1,0,1,0|1,0,0]=3 166 B6R0.7 C[C@H](N)C(C)(C)C F16897 [0,0,1,0,1,0|2,0,0]=4 167 B6R0.7 C[C@H](N)C(C)(C)C N11972 [0,0,1,0,1,0|2,0,0]=4 168 B6R0.7 C[C@H](N)C(C)(C)O 86272 [0,0,1,0,1,0|1,0,0]=3 169 B6R0.7 C[C@H](O)C(C)(C)C D93306 [0,0,1,0,1,0|2,0,0]=4 170 B6R0.7 C[C@H](O)C(C)(C)O D80869 [0,0,1,0,1,0|1,0,0]=3 171 B6R1.4 CC1NCC1F P20228 [1,0,0,0,1,0|2,0,0]=4 172 B6R1.4 CC1OCC1O P16543 [1,0,0,0,1,0|1,0,0]=3 173 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,0,1,0|1,0,1]=4 174 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,0,1,0|2,0,0]=4 175 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,0,1,0|2,0,0]=4 176 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.5 CC1CC(N)C1 72358 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,0,1,0|1,0,1]=4 179 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [1,0,0,0,1,0|2,0,0]=4 180 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [1,0,0,0,1,0|2,0,0]=4 181 B6R1.10 CC1(N)CCC1 P10590 [1,0,0,0,1,0|2,0,0]=4 182 B6R1.10 CC1(N)CCC1 P10892 [1,0,0,0,1,0|2,0,0]=4 183 B6R1.10 CC1(O)CCC1 83777 [1,0,0,0,1,0|2,0,0]=4 184 B6R1.9 CC1(C)C[C@@H]1N 69330 [0,0,0,0,2,0|1,0,0]=3 185 B8R0.28 CC(C)OCOC(C)C D93413 [0,0,1,0,0,1|1,0,0]=3