0 B7R0.3 C#CCCC(=O)OC AT21755 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 C=C(CCl)OCOC P10081 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 C=CC(=O)NCCC AB9941 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 C=CCCC(=O)OC AT23749 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.3 CCC(=O)OCCO A11774 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 CNCCC(=O)OC AB11809 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 COC(=O)C#CCO AB7534 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 COC(=O)CCCI F19766 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 COC(=O)\C=C\CN AT20770 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCC[C@H](N)CO C13482 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCNC(=O)CO 79517 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CC[C@H](S)CCO D84734 [1,0,0,0,0,0|1,1,1]=4 14 B6R0.1 CNC(=O)CCN C75423 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CNC(=O)CCO AC6610 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CNC(=O)CCS A11187 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 COC(=O)OCCl R10013 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 NNC(=O)CCO C77491 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 C#CCNC(C)=O 78861 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 C=C(C)CCCBr 71968 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 C=CCCC(=O)Cl F16765 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.4 CC(=O)CCC=O P17049 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 CC(=O)CCCBr 25631 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.4 CC(=O)OCCN W11955 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 CCOCC(=O)O D73862 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 CCOC[C@H](C)N 75202 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 NC(=O)OCCO A11395 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 NCCCC(N)=O C72206 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 O=C([O-])CNCO F20522 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 CC#CCCCO W16152 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.6 CCOCCON W15834 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 CNCCCCBr C74879 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CNCCCCN D80538 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 NCCCCCBr 97997 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 OCCCCCO D77911 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.1 C#CCCC(=O)CCO N11427 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.1 C#CCNC(=O)COC AR3233 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.1 CCCC(=O)OCCO D81566 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.1 CCCC[C@H](C)CCO D93301 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.1 CCNC(=O)NCCN AR2426 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.1 CCOC(=O)CCC#N 82565 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.1 CCOC(=O)CCCO C91677 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.1 COCCN(C)CCO F18234 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.6 COC(=O)COCCO D84694 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.6 COC\C=C\C(=O)OC P17071 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.9 CN(C)CCC(=O)NN AC8035 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.9 O=C(O)CCC(=O)CBr P19462 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.25 CCCCC(C)(C)CO A12319 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,0,0,1,0,0|1,0,2]=4 69 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.1 COC1=CC(=O)CC1 63697 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.1 COC1CCC(N)C1 33463 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.1 COC1CCC(O)C1 P19125 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.1 NCC1CCC(F)C1 72980 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.1 NCC1CCC(O)C1 72949 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,0,0,1,0,0|1,0,0]=2 100 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.2 BrCC1=CCCCC1 37274 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.2 CCC1CCNCC1 W10090 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.2 CC[C@H]1CNCCN1 28366 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 CC[C@H]1COCCN1 F17630 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 COC1=NCCCC1 D87703 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 ICC1CCCCC1 AC1131 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,1,0,0|0,0,2]=3 119 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,1,0,0|0,0,2]=3 121 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,1,0,0|0,0,2]=3 123 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,1,0,0|1,0,0]=2 136 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.3 O=C1NCC(O)CN1 D82915 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.3 OC1CCC(F)CC1 P13200 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.5 CC1CCNCC1O 38882 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.5 CC1CNCCC1O 20765 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.5 CC1CNCCC1O 33365 [0,0,0,1,0,0|1,0,2]=4 145 B8R1.5 CC1COCCC1N 33469 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,0,0,1,0,0|1,0,1]=3 147 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|0,0,0]=1 151 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.5 C[C@H]1CNCCN1C 37822 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.5 C[C@H]1CNCCN1C P11245 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|1,0,0]=2 161 B8R1.5 NN1CCCCC1=O C74639 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.10 OCCCN1CCC1 70850 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,1,0,0|1,0,1]=3 177 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.22 O=C1CNCCNC1 77718 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.22 O=C1CNCCOC1 P20266 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.22 O=C1COCCCN1 71169 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.38 CCC(=O)C1COC1 D79147 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,0,0,1,0,0|1,0,2]=4 193 B8R1.38 CNC(=O)C1CNC1 P20515 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.38 COC(=O)C1COC1 81275 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.40 COC(=O)CC1CC1 28012 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.47 CCN1CC(CN)C1 P13012 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.50 CN1C(=O)CCC1=O D70368 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.52 CC1(CN)CCCC1 72592 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.52 CC1(CO)CCCC1 90940 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.52 NCC1(O)CCCC1 37961 [0,0,0,1,0,0|1,0,2]=4 203 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 204 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 C#CCCC=O 89357 [2,0,0,0,0,0|0,0,2]=4 207 B5R0.2 C=CCCNC W16107 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.2 NCCCCCl F19552 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.3 CCC(=O)CN S11993 [2,0,0,0,0,0|1,0,0]=3 213 B5R0.3 CC[PH](=O)CC C77650 [2,0,0,0,0,0|1,0,0]=3 214 B7R0.2 CC(C)NC(=O)CBr A12824 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.2 CC(C)NC(=O)CI A11046 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.2 CC(C)OC(=O)CN FD21588 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.5 CCCC(Br)C(C)Br D81745 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.5 CCSC(=O)[C@H](C)N C14826 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.7 C=C(CCBr)CCBr W15711 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.7 CCC[C@H](Br)CCBr D94373 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.7 CCC[C@H](N)CCO AT20461 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.7 CCC[C@H](N)CCO I11080 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.7 CCC[C@H](N)CCO N12794 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.7 CCNC(=O)CCCl Y14703 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.7 CCNC(=O)CNC A12930 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.7 COCC(=O)COC 36699 [1,1,0,0,0,0|1,0,0]=3 230 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.10 CC[C@H](O)C(=O)OC 98375 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.10 COC(=O)[C@@H](O)CN D97235 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.11 CCOS(=O)(=O)CC A10945 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.11 CCS(=O)(=O)CCN AR2318 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.12 CCN(CCO)N=O T71710 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|0,0,0]=2 244 B7R0.4 CC(=O)OCCCBr C75766 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.4 CCNCCC(N)=O AT24732 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.4 CN(C)CCCCCl W16936 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.4 CNCCCC(N)=O 21232 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.4 NCCNCC(=O)O FD21628 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.4 O=C([O-])COCCO A11454 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.6 CC(=O)NNC(C)C F19849 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.8 CS(=O)(=O)CCCCl Y14711 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.8 CS(=O)(=O)CCCN D70786 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.1 CCCNCCCO AB4057 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.1 CNCCOCCO C70229 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.1 COCCOCCI AT13077 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.1 FCCCCCCBr A50948 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.1 NCCCCCCBr D83295 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.1 NCCCCCCS F31196 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.1 NCCCNCCS W12623 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.1 NCCCOCCO W11222 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.4 CC(=O)CC(=O)NCCO A11018 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.4 CC(C)NC(=O)NCCN AR2165 [0,2,0,0,0,0|2,0,0]=4 273 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,2,0,0,0,0|0,0,2]=4 274 B9R0.5 CCOC(=O)CCCC#N 84960 [0,2,0,0,0,0|0,0,1]=3 275 B9R0.5 CCOC(=O)CCCC=O N10598 [0,2,0,0,0,0|0,0,1]=3 276 B9R0.5 CCOC(=O)CCCCN 23836 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,2,0,0,0,0|0,0,2]=4 278 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,2,0,0,0,0|0,0,2]=4 279 B9R0.5 COCCNC(=O)CC#N 71396 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.8 CNC(=O)[C@@H](Br)CCCBr AC6474 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.18 O=C(NCCCl)NCCCl W10366 [0,2,0,0,0,0|2,0,0]=4 282 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [0,2,0,0,0,0|1,0,0]=3 287 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,2,0,0,0,0|0,0,1]=3 291 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,2,0,0,0,0|0,0,0]=2 293 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.66 CCOS(=O)(=O)CCCCl AB22521 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl D83266 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,2,0,0,0,0|0,0,0]=2 302 B9R0.24 CCC(C)CCC(C)CO D93170 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.24 CCC(O)CCC(O)CC D86710 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.24 CC[C@H](O)CC[C@@H](O)CC 55799 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,2,0,0,0,0|1,0,1]=4 306 B9R0.24 O=C(CS)OC[C@@H](O)CO H10926 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.46 C=CC(=O)NCCCCO C75218 [0,2,0,0,0,0|0,0,2]=4 308 B9R0.46 CCNCCCC(=O)OC 72977 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.46 CCOCCOC(=O)CCl D79711 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.46 COC(=O)CSCCCCl W12305 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [0,2,0,0,0,0|0,0,1]=3 312 B9R0.47 C=C(C)C(=O)OCCCO A12375 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.47 CCCCCC(=O)N(C)C C16028 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.3 CC(C)(C)C(=O)NCCN D86304 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.3 CC(C)(C)C(=O)NCCO W16100 [0,2,0,0,0,0|2,0,0]=4 316 B9R0.3 CC(C)(C)C(=O)SCCO A12087 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.3 CCCCC(=O)C(C)(C)C D92946 [0,2,0,0,0,0|0,0,0]=2 318 B9R0.7 C=C(C)C(=O)OC[C@H](C)O D93082 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,2,0,0,0,0|0,0,1]=3 320 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,2,0,0,0,0|0,0,1]=3 321 B9R0.43 CCC(CO)CCC(C)O D97248 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.22 CCC(C)(C)CC(=O)OC Y10558 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.1 CC[C@H]1CCCN1 F16886 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.3 C=C1CCNCC1 88914 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.3 C=C1CCOCC1 84295 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.4 CN1CCNC1=O 81682 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,0,0,1,0,0|0,0,2]=4 348 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,0,0,1,0,0|0,0,2]=4 349 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.22 CNC(=O)C1CC1 F14269 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.22 O=C(CO)C1CC1 E72699 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.14 CC1(Br)CCCC1 P19649 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.14 CC1(N)CCCC1 90423 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.18 CC(=O)C1COC1 79962 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.18 C[C@H](N)C1CCC1 93060 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.18 C[C@H](N)C1CCC1 93062 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.18 O=[N+]([O-])C1CCC1 30647 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.20 C[C@H](O)CC1CC1 79072 [1,0,0,1,0,0|0,0,2]=4 377 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.24 C1CNCCOC1 80062 [1,0,0,1,0,0|2,0,0]=4 380 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,1,0,0|0,0,2]=4 381 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.2 CCN1CCN[C@@H](C)C1 Y13520 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|0,0,0]=2 385 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,1,0,0|0,0,0]=2 398 B9R1.7 CCN[C@H]1CCN(C)C1 38278 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,1,0,1,0,0|0,0,2]=4 400 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.8 BrCCN1CCCCC1 O10261 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.8 BrCCN1CCCCO1 72888 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.8 CNCC1CCCCC1 F20557 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.8 COC[C@H]1CCCCN1 39467 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.8 COC[C@H]1CCCCN1 71896 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.8 NCCC1CCCCC1 24486 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.8 NCCC1CCCCC1 55664 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.8 NCCN1CCCCO1 72735 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.15 CC1CCCCC1CN 72191 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.15 CCN1CCNCC1=O W18927 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,1,0,1,0,0|0,0,2]=4 422 B9R1.15 COC1CCCCC1N O10822 [0,1,0,1,0,0|1,0,1]=4 423 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.15 N#C[C@H]1CCNCC1=O 58518 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.33 NCCN1CCOC1=O C13660 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.33 O=C1CCCN1CCBr C77640 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.33 O=C1NCCN1CCCl 57428 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|0,0,0]=2 439 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,1,0,1,0,0|1,0,1]=4 440 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,1,0,1,0,0|0,0,2]=4 442 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.50 O=C1CNCCCNC1 77720 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.50 O=C1NCCCCCN1 W17640 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.73 CCOC(=N)C1CCC1 C13282 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.73 O=C(CCCl)N1CCC1 72124 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.134 CCC[N+]1(C)CCCC1 56141 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.5 CC1CCCNCC1C 73165 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|0,0,0]=2 469 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.11 CNC(=O)[C@H]1CCNC1 C77874 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.11 NNC(=O)[C@H]1CCOC1 28802 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.82 COC(=O)C1CC(Br)C1 38009 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.82 COC(=O)C1CC(C)C1 84766 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.82 COC(=O)C1CC(F)C1 P19700 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.82 O=C(CCl)N1CC(O)C1 P18784 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.88 COC(=O)C1CC1CN P14227 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.101 CN(C(=O)CBr)C1CC1 72634 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.101 COC(=O)[C@@H](N)C1CC1 C72534 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.101 COC(=O)[C@@H](N)C1CC1 W11640 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.186 COC(=O)C1(C)CNC1 87434 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.186 COC(=O)C1(C)COC1 C72056 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.186 COC(=O)C1(F)CNC1 38734 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.186 COC(=O)C1(N)COC1 28015 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.186 COC(=O)C1(O)CCC1 F53397 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.186 COC(=O)[C@]1(C)CCN1 P12463 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.1 CCN1CCC(N)CC1 W15425 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,1,0,0|0,0,2]=4 507 B9R1.1 CN1CCC(CBr)CC1 84194 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.1 CN1CCN(N=O)CC1 D92907 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,1,0,1,0,0|0,0,2]=4 512 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,1,0,1,0,0|0,0,2]=4 513 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,1,0,1,0,0|0,0,2]=4 514 B9R1.1 COC1CCC(N)CC1 26413 [0,1,0,1,0,0|1,0,1]=4 515 B9R1.1 CON1CCC(=O)CC1 92073 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,1,0,1,0,0|1,0,1]=4 518 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,1,0,1,0,0|1,0,1]=4 519 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,1,0,1,0,0|0,0,2]=4 520 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,1,0,0|0,0,2]=4 523 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,1,0,0|0,0,2]=4 524 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,1,0,1,0,0|0,0,1]=3 532 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,1,0,0|0,0,2]=4 533 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,1,0,0|0,0,2]=4 534 B9R1.79 COC(=O)CC1CCC1 20777 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.79 COC(=O)CC1CNC1 C71903 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.79 COC(=O)CC1COC1 82645 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.79 O=C(CBr)CC1CCC1 D79065 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.80 COC(=O)C#CC1CC1 W15222 [0,1,0,1,0,0|1,0,1]=4 539 B9R1.80 COC(=O)\C=C\C1CC1 89072 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.81 COC(=O)C1CNC1C P14367 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.89 CCN1CCCCCC1 A11156 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.89 CCN1CCCNCC1 I11453 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.89 N#CC1CCCCCC1 F53544 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.89 NNC1CCCCCC1 AB1363 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.118 CCC1(N)CCCCC1 21224 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.118 CCC1(N)CCOCC1 P16087 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.40 CC1(C)CCCNC1=O P19113 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.40 CC1(C)CCCOC1=O 60202 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.40 CC1(C)COCCC1=O P12769 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.40 O=C1CCNCC1(F)F 38880 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.40 O=C1CCNCC1(F)F P12504 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.40 O=C1NCCCC1(F)F 50284 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.106 CC1(C)C(=O)CCC1=O C74976 [0,1,0,1,0,0|1,0,1]=4 559 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14863 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.110 CN(C)C(=O)C1CNC1 39141 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.112 CN(C)C(=O)NC1CC1 D94426 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.10 CC1(C)CCC(N)CC1 F12447 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.10 CC1(O)CCC(N)CC1 39273 [0,1,0,1,0,0|1,0,1]=4 566 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P14556 [0,1,0,1,0,0|0,0,2]=4 567 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 38877 [0,1,0,1,0,0|0,0,2]=4 568 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 39275 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 P15459 [0,1,0,1,0,0|0,0,2]=4 570 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 39274 [0,1,0,1,0,0|1,0,1]=4 571 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 D95191 [0,1,0,1,0,0|1,0,1]=4 572 B9R1.10 NC1CCS(=O)(=O)CC1 83363 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.133 NC[C@H]1CCS(=O)(=O)C1 P19122 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.133 O=S1(=O)CC[C@H](CO)C1 AT13046 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.148 O=S1(=O)CCCNCC1 W16418 [0,1,0,1,0,0|2,0,0]=4 578 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,0,0,2,0,0|1,0,1]=4 579 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,2,0,0|1,0,0]=3 580 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,2,0,0|1,0,0]=3 581 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,2,0,0|1,0,0]=3 582 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,2,0,0|1,0,0]=3 583 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,2,0,0|2,0,0]=4 584 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,2,0,0|0,0,2]=4 585 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,2,0,0|1,0,1]=4 586 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,2,0,0|1,0,1]=4 587 B9R2.110 NC12CCC(CC1)C2 W16245 [0,0,0,2,0,0|1,0,1]=4 588 B9R2.139 N[C@H]1CCC2(CC2)C1 D84821 [0,0,0,2,0,0|1,0,1]=4 589 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,2,0,0|1,0,0]=3 590 B9R2.139 O=C1CCC2(CC2)N1 80157 [0,0,0,2,0,0|1,0,0]=3 591 B9R2.139 O=C1NCC2(CC2)O1 AT13765 [0,0,0,2,0,0|2,0,0]=4 592 B9R2.49 C1CC2CCC1CN2 20492 [0,0,0,2,0,0|1,0,1]=4 593 B9R2.49 C1CC2CCC1CN2 38592 [0,0,0,2,0,0|1,0,1]=4 594 B9R2.174 C1CCC2(CC2)NC1 82073 [0,0,0,2,0,0|1,0,1]=4 595 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,2,0,0|0,0,2]=4 596 B9R2.6 NC12CCCCC1C2 P18959 [0,0,0,2,0,0|1,0,1]=4 597 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|0,0,0]=2 598 B9R2.187 NC1(C2CCC2)CC1 94848 [0,0,0,2,0,0|1,0,1]=4