0 B8R1.2 BrCC1=CCCCC1 37274 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 C#CC1CCNCC1 P12507 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#CC1CCOCC1 37550 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 CCC1CCNCC1 W10090 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.2 CC[C@H]1CNCCN1 28366 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 CC[C@H]1COCCN1 F17630 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 CNC1CCNCC1 Y10435 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 CNC1CCSCC1 D93432 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 COC1=NCCCC1 D87703 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.2 ClCC1CCNCC1 P17439 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 ClCC1CCOCC1 C77585 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 FCC1CCNCC1 F10330 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 FC[C@H]1CCCNC1 24250 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 ICC1CCCCC1 AC1131 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,0,0,0,0,0|1,0,0]=1 24 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 N#CC1CCSCC1 29706 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.2 N#CN1CCCCC1 A12086 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,0,0,0,0,0|1,0,1]=2 32 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,0,0,0,0,0|2,0,1]=3 33 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,0,0,0,0,0|2,0,1]=3 34 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.2 NCC1CCSCC1 P11855 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.2 NCC1CCSCC1 P17457 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 NC[C@H]1COCCO1 39092 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 NC[C@H]1COCCO1 39093 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.2 NNC1CCNCC1 BL010349 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 NNC1CCOCC1 F51905 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.2 NNC1CCSCC1 BL010348 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.2 O=CN1CCCCC1 D77795 [0,0,0,0,0,0|2,0,2]=4 50 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,0,0,0,0,0|1,0,2]=3 51 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,0,0,0,0,0|0,0,2]=2 52 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,0,0,0,0,0|1,0,2]=3 53 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,0,0,0,0,0|2,0,2]=4 54 B8R1.2 OC[C@H]1CCCNC1 36372 [0,0,0,0,0,0|2,0,0]=2 55 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,0,0,0,0,0|2,0,0]=2 57 B8R1.2 OC[C@H]1CCCOC1 38674 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.2 OC[C@H]1CNCCO1 25692 [0,0,0,0,0,0|1,0,0]=1 61 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,0,0,0,0,0|1,0,0]=1 62 B8R1.2 OC[C@H]1COCCN1 25689 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.2 OC[C@H]1COCCN1 26203 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.2 OC[C@H]1COCCN1 P15853 [0,0,0,0,0,0|2,0,0]=2 65 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,0,0,0,0,0|1,0,0]=1 66 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,0,0,0,0,0|1,0,0]=1 67 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 C[C@H]1CNCCO1 24564 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.3 C[C@H]1CNCCO1 27729 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.3 C[C@H]1CNCCO1 F13460 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.3 C[C@H]1CNCCO1 P11013 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.3 F[C@H]1CCCNC1 37161 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.3 F[C@H]1CCCNC1 37162 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.3 N[C@@H]1C=CCCC1 D84435 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 N[C@H]1CCCNC1 C72133 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,0,0,0|0,1,2]=4 82 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,0,0,0|1,0,2]=4 83 B7R1.3 O[C@@H]1C=CCNC1 S11183 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.3 O[C@@H]1CNCCO1 26254 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 SC1CCNCC1 39018 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.3 S[C@H]1CCCNC1 P11853 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.1 CC1CCC(CO)CN1 72671 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.1 CC1CCC(CO)NC1 73032 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.1 CCN1CCC(N)CC1 W15425 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.1 CN1CC=C(CO)CC1 AC1022 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.1 CN1CCC(CBr)CC1 84194 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1CCC(N)CC1 26413 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 90048 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 AT10023 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 N#CC1CCC(N)CC1 F52727 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.1 N#CC1CCC(O)CC1 26849 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 AT13196 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AT13199 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,0,0,0|1,0,1]=3 123 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.2 CN1CCC[C@H](CN)C1 37194 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.2 CN1CCC[C@H](CN)C1 P11114 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.2 CN1CCN[C@@H](CO)C1 P18089 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.2 CN1CCO[C@@H](CN)C1 72736 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 CN1CCO[C@@H](CO)C1 77632 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.2 CN1CCO[C@@H](CO)C1 77633 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.2 NC1CCOC(CO)C1 D79017 [0,1,0,0,0,0|0,0,0]=1 136 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.2 OCC1CNCC(F)C1 72782 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,1,0,0,0,0|1,0,2]=4 143 B9R1.6 CC(C)C1CCNCC1 T72018 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.6 CC(C)[C@@H]1CNCCO1 36446 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.6 CC(C)[C@@H]1CNCCO1 C72697 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.6 FC(F)C1CCNCC1 38478 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.6 FC(F)[C@H]1CCCNC1 S11388 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.6 O=C(O)C1CCSCC1 24425 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,1,0,0,0,0|1,1,1]=4 157 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,1,0,0,0,0|0,0,1]=2 158 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,1,0,0,0,0|0,0,1]=2 159 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,1,0,0,0,0|1,0,1]=3 161 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,1,0,0,0,0|1,0,1]=3 162 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,1,0,0,0,0|1,0,1]=3 163 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,1,0,0,0,0|1,1,1]=4 164 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,1,0,0,0,0|1,1,1]=4 173 B9R1.8 BrCCC1CCNCC1 AC8208 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.8 BrCCC1CCOCC1 56518 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.8 BrCCN1CCCCC1 O10261 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.8 BrCCN1CCCCO1 72888 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.8 CNCC1CCCCC1 F20557 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.8 CNCC1CCNCC1 28113 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.8 COC[C@H]1CCCCN1 39467 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.8 COC[C@H]1CCCCN1 71896 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.8 COC[C@H]1CNCCO1 77670 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.8 COC[C@H]1CNCCO1 77672 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.8 COC[C@H]1COCCN1 77667 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.8 COC[C@H]1COCCN1 77668 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.8 COC[C@H]1COCCN1 77669 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.8 ClCCC1CCNCC1 AC3007 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.8 N#CCC1CCOCC1 H10074 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.8 N#CC[C@H]1CNCCN1 P18202 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.8 N#CC[C@H]1CNCCN1 P19845 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.8 NCCC1CCCCC1 24486 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.8 NCCC1CCCCC1 55664 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.8 NCCC1CCOCC1 71435 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.8 NCCC1CCSCC1 AC3550 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.8 NCCN1CCCCO1 72735 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.8 NNCC1CCOCC1 P12620 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.8 O=CCC1CCCCC1 11388 [0,1,0,0,0,0|1,0,1]=3 206 B9R1.8 OCCC1CCOCC1 62381 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.8 OCCN1CCSCC1 O10852 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.15 CC1CCCCC1CN 72191 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.15 CC1CCCNC1CO 72650 [0,1,0,0,0,0|1,0,0]=2 216 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.15 CC[C@H]1CNCCN1C D83449 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.15 CC[C@H]1CNCCN1C D83450 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.15 COC1CCCCC1N O10822 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,1,0,0,0,0|1,0,0]=2 237 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,0,0,0|1,0,1]=3 238 B9R1.15 OCC1CCNCC1O 72831 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.15 OCC1CNCCC1O 73026 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.118 C#CC1(C)CCCCC1 D82488 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.118 CC1(CO)CCNCC1 26607 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.118 CCC1(N)CCCCC1 21224 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.118 CCC1(N)CCOCC1 P16087 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.118 C[C@@]1(C#N)CNCCO1 F17640 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.118 C[C@]1(CO)CCCNC1 38434 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.118 C[C@]1(CO)CNCCN1 W17124 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.118 FC1(CBr)CCOCC1 P18901 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.118 NC1(CO)CCNCC1 P19134 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.118 NC1(CO)CCOCC1 30407 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.118 NC1(CO)CCSCC1 AC1096 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.118 NCC1(F)CCCCC1 85745 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.118 NCC1(F)CCOCC1 38680 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.118 NCC1(O)CCOCC1 27391 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.118 O=NC1(Cl)CCCCC1 F15290 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.118 OC1(CF)CCNCC1 38477 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.118 OCC1(F)CCNCC1 37479 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.118 OCC1(F)CCOCC1 38679 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.118 OCC1(O)CCNCC1 37483 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.118 OCC1(O)CCNCC1 70872 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.118 OC[C@]1(O)CCCNC1 38750 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.1 CCCNCCCO AB4057 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.1 CNCCOCCO C70229 [0,0,1,0,0,0|1,0,0]=2 265 B7R0.1 COCCOCCI AT13077 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.1 FCCCCCCBr A50948 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.1 N#CCCNCCO D94844 [0,0,1,0,0,0|2,0,1]=4 268 B7R0.1 N#CCCOCCO Y11313 [0,0,1,0,0,0|1,0,1]=3 269 B7R0.1 NCCCCCCBr D83295 [0,0,1,0,0,0|2,0,0]=3 270 B7R0.1 NCCCCCCS F31196 [0,0,1,0,0,0|1,1,0]=3 271 B7R0.1 NCCCNCCS W12623 [0,0,1,0,0,0|2,1,0]=4 272 B7R0.1 NCCCOCCO W11222 [0,0,1,0,0,0|1,0,0]=2 273 B7R0.12 CCCC(CO)CO AB7729 [0,0,1,0,0,0|2,0,0]=3 274 B7R0.12 CCN[C@@H](CC)CO 29377 [0,0,1,0,0,0|1,0,0]=2 275 B9R2.49 C1CC2CCC1CN2 20492 [0,0,0,1,0,0|2,0,0]=3 276 B9R2.49 C1CC2CCC1CN2 38592 [0,0,0,1,0,0|2,0,0]=3 277 B9R2.49 C1CC2CNC1CN2 30821 [0,0,0,1,0,0|2,0,0]=3 278 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 P14533 [0,0,0,1,0,0|1,0,0]=2 279 B9R2.53 OC1[C@@H]2CNC[C@H]1C2 D97015 [0,0,0,1,0,0|2,0,0]=3 280 B9R2.56 OCC12CNCC1C2 38677 [0,0,0,1,0,0|2,0,0]=3 281 B9R2.56 OCC12COCC1C2 D79110 [0,0,0,1,0,0|2,0,0]=3 282 B9R2.65 OCC1C2COCC12 69809 [0,0,0,1,0,0|2,0,0]=3 283 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,0,0,1,0,0|2,0,0]=3 284 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,0,0,1,0,0|2,0,0]=3 285 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,0,0,1,0,0|2,0,0]=3 286 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,1,0,0|2,0,0]=3 287 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,1,0,0|2,0,0]=3 288 B9R2.68 C1CC2CNCC1C2 F53590 [0,0,0,1,0,0|3,0,0]=4 289 B9R2.68 C1CC2CNCC1O2 64984 [0,0,0,1,0,0|2,0,0]=3 290 B9R2.68 C1CC2COCC1N2 P12236 [0,0,0,1,0,0|3,0,0]=4 291 B9R2.68 C1CN2CCC(C2)N1 38913 [0,0,0,1,0,0|3,0,0]=4 292 B9R2.70 N#CC1NCC2CC21 38514 [0,0,0,1,0,0|2,0,1]=4 293 B9R2.174 C1CCC2(CC2)NC1 82073 [0,0,0,1,0,0|2,0,0]=3 294 B9R2.174 C1CNC2(CC2)CN1 38355 [0,0,0,1,0,0|3,0,0]=4 295 B9R2.174 C1CNC2(CC2)CN1 82062 [0,0,0,1,0,0|3,0,0]=4 296 B9R2.174 C1CNCC2(C1)CC2 85765 [0,0,0,1,0,0|3,0,0]=4 297 B9R2.174 C1COC2(CC2)CN1 80461 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,0,1,0|1,0,2]=4 299 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,0,1,0|2,0,0]=3 300 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,0,1,0|1,0,1]=3 301 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,0,1,0|2,0,0]=3 302 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,0,1,0|2,0,0]=3 303 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,0,1,0|3,0,0]=4 304 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,0,1,0|3,0,0]=4 305 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,0,1,0|3,0,0]=4 306 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,0,1,0|3,0,0]=4 307 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,0,1,0|2,0,0]=3 308 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,0,1,0|2,0,0]=3 309 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,0,1,0|2,0,0]=3 310 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,0,1,0|2,0,1]=4 311 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,0,1,0|2,0,1]=4 312 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,0,1,0|2,0,1]=4 313 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,0,1,0|1,0,1]=3 314 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,0,1,0|2,0,1]=4 315 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,0,1,0|2,0,1]=4 316 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,0,1,0|2,0,1]=4 317 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,0,1,0|2,0,1]=4 318 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,0,1,0|2,0,1]=4 319 B7R1.1 NCC1CCCC1 P10292 [0,0,0,0,1,0|1,0,0]=2 320 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,0,1,0|2,0,0]=3 321 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,0,1,0|1,0,0]=2 322 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,0,1,0|1,0,0]=2 323 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,0,1,0|2,0,0]=3 324 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,0,1,0|2,0,0]=3 325 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,0,1,0|2,0,0]=3 326 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,0,1,0|2,0,0]=3 327 B7R1.1 NOC1CCCC1 97655 [0,0,0,0,1,0|2,0,0]=3 328 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,0,1,0|0,0,0]=1 329 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,0,1,0|1,0,0]=2 330 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,0,1,0|1,0,0]=2 331 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,0,1,0|1,0,0]=2 332 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,0,1,0|1,0,0]=2 333 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,0,1,0|1,0,0]=2 334 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,0,1,0|2,0,0]=3 335 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.89 CCN1CCCNCC1 I11453 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.89 N#CC1CCCCCC1 F53544 [0,0,0,0,0,1|2,0,1]=4 341 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,0,0,0,0,1|2,0,1]=4 342 B9R1.89 NNC1CCCCCC1 AB1363 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,0,0,0,0,1|1,0,0]=2 344 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,0,0,0,0,1|1,0,0]=2 345 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,0,0,0,0,1|0,0,0]=1 346 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,0,0,0,0,1|0,0,0]=1 347 B6R0.6 CC#CCCCO W16152 [1,0,1,0,0,0|0,0,2]=4 348 B6R0.6 CCOCCCBr A11082 [1,0,1,0,0,0|1,0,0]=3 349 B6R0.6 CCOCCON W15834 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.6 CNCCCCBr C74879 [1,0,1,0,0,0|2,0,0]=4 351 B6R0.6 CNCCCCN D80538 [1,0,1,0,0,0|2,0,0]=4 352 B6R0.6 ClCCOCCI 12079 [1,0,1,0,0,0|2,0,0]=4 353 B6R0.6 NCCCCCBr 97997 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.6 OCCCCCO D77911 [1,0,1,0,0,0|0,0,0]=2 355 B6R0.6 OCCOCCF AT25497 [1,0,1,0,0,0|1,0,0]=3 356 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.1 CCC[C@H](N)CO C13482 [1,0,1,0,0,0|1,0,0]=3 358 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,1,0,0,0|0,0,0]=2 359 B6R0.1 COC[C@@H](O)CN 94767 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.1 NCC[C@H](O)CO F51073 [1,0,1,0,0,0|1,0,0]=3 361 B6R0.1 N[C@H](CO)CCO AB10026 [1,0,1,0,0,0|2,0,0]=4 362 B6R0.1 N[C@H](CO)CCO AB10027 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.4 C#CCOC(C)C 79308 [1,0,1,0,0,0|0,0,2]=4 364 B6R0.4 CC(C)OCCBr 33996 [1,0,1,0,0,0|1,0,0]=3 365 B6R0.4 CC(C)OCCN T71353 [1,0,1,0,0,0|1,0,0]=3 366 B6R0.4 CCOC[C@H](C)N 75202 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.9 CCC(C#N)CC AC1599 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.9 CCC(CBr)CBr W17735 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.9 CC[C@@H](CN)CO Y13480 [1,0,1,0,0,0|1,0,0]=3 371 B6R0.9 CO[C@@H](CN)CO P20679 [1,0,1,0,0,0|1,0,0]=3 372 B6R1.1 C1CCNNC1 71659 [2,0,0,0,0,0|2,0,0]=4 373 B8R0.1 CCCC(=O)OCCO D81566 [0,1,1,0,0,0|0,0,1]=3 374 B8R0.1 CCCC[C@H](C)CCO D93301 [0,1,1,0,0,0|1,0,0]=3 375 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,1,0,0,0|1,0,0]=3 376 B8R0.1 COCCN(C)CCO F18234 [0,1,1,0,0,0|2,0,0]=4 377 B8R0.4 C=CCCCCCCI W11175 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.4 COCCCCCCBr S10679 [0,1,1,0,0,0|1,0,0]=3 379 B8R0.4 COCCOCCOC D72523 [0,1,1,0,0,0|1,0,0]=3 380 B8R0.4 ClCCCOCCCCl FD13137 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.4 NCCCOCCCO D84663 [0,1,1,0,0,0|1,0,0]=3 382 B8R0.4 OCCCOCCCO AT19326 [0,1,1,0,0,0|0,0,0]=2 383 B8R0.6 COC(=O)COCCO D84694 [0,1,1,0,0,0|1,0,1]=4 384 B8R0.7 CN(C)CCOCCO D77714 [0,1,1,0,0,0|1,0,0]=3 385 B8R0.7 NCCCCCC(=O)O P19609 [0,1,1,0,0,0|1,0,1]=4 386 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,1,0,0,0|0,0,2]=4 387 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,1,1,0,0,0|0,0,1]=3 388 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,1,1,0,0,0|1,0,0]=3 389 B8R0.25 C=CCOC(C)(C)CO 65989 [0,1,1,0,0,0|0,0,2]=4 390 B8R0.25 CCCCC(C)(C)CO A12319 [0,1,1,0,0,0|1,0,0]=3 391 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,1,1,0,0,0|2,0,0]=4 392 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,1,1,0,0,0|1,0,1]=4 393 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,1,1,0,0,0|2,0,0]=4 394 B8R1.3 CC1CCC(O)CC1 D73186 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [1,1,0,0,0,0|1,0,0]=3 400 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.3 NC1CCC(Br)CC1 FD10595 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,1,0,0,0,0|0,0,2]=4 405 B8R1.3 OC1CCC(F)CC1 P13200 [1,1,0,0,0,0|1,0,0]=3 406 B8R1.4 CC1CC(N)CCO1 D78849 [1,1,0,0,0,0|0,0,0]=2 407 B8R1.4 CC1CC(N)CCO1 P16002 [1,1,0,0,0,0|0,0,0]=2 408 B8R1.4 CC1CC(O)CCN1 33466 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.4 CC1CC(O)CCN1 P17258 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.4 CC1CNCC(C)O1 F18860 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.4 CC1CNCC(O)C1 AC5056 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.4 CC1COCC(C)N1 P10582 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.4 CN1CCC[C@H](N)C1 37174 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.4 CN1CCC[C@H](N)C1 37175 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.4 CN1CCC[C@H](N)C1 F13528 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.4 CN1CCC[C@H](N)C1 P12011 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,1,0,0,0,0|1,0,1]=4 420 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,1,0,0,0,0|1,0,1]=4 421 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,1,0,0,0,0|1,0,1]=4 422 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,1,0,0,0,0|0,0,1]=3 423 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,1,0,0,0,0|1,0,1]=4 424 B8R1.4 C[C@H]1CN(C)CCN1 32818 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [1,1,0,0,0,0|2,0,0]=4 431 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.4 NC1COCC(O)C1 91463 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [1,1,0,0,0,0|1,0,0]=3 448 B8R1.5 C=C1CCCC[C@@H]1O D94315 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.5 CC1CCNCC1O 38882 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.5 CC1CNCCC1O 20765 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.5 CC1CNCCC1O 33365 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.5 CC1COCCC1N 33469 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.5 CC1NCCOC1C F12405 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [1,1,0,0,0,0|1,0,1]=4 458 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,1,0,0,0,0|1,0,0]=3 460 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,1,0,0,0,0|0,0,2]=4 461 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.5 C[C@H]1CNCCN1C 37822 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.5 C[C@H]1CNCCN1C P11245 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.5 C[C@H]1CNCCN1C Y10614 [1,1,0,0,0,0|2,0,0]=4 465 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.5 C[C@H]1COCCC1=O 27832 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [1,1,0,0,0,0|2,0,0]=4 468 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.5 NC1CCOCC1O P16839 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [1,1,0,0,0,0|2,0,0]=4 475 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,1,0,0,0,0|0,0,2]=4 485 B8R1.5 OC1CCOCC1F P14713 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [1,1,0,0,0,0|1,0,0]=3 490 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.72 CC1(Br)CCCCC1 P19508 [1,1,0,0,0,0|1,0,0]=3 497 B8R1.72 CC1(Br)CCOCC1 AC1905 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.72 CC1(C)CNCCO1 20348 [1,1,0,0,0,0|1,0,0]=3 499 B8R1.72 CC1(F)CCNCC1 72921 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.72 CC1(N)CCNCC1 F30991 [1,1,0,0,0,0|2,0,0]=4 501 B8R1.72 CC1(N)CCOCC1 P16590 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.72 CC1(O)CCOCC1 69121 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.72 CC1(O)CCSCC1 C74963 [1,1,0,0,0,0|2,0,0]=4 504 B8R1.72 C[C@]1(O)CCCNC1 37167 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.72 C[C@]1(O)CCCNC1 P18955 [1,1,0,0,0,0|2,0,0]=4 506 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,0,1,0|2,0,0]=4 511 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,0,1,0|1,0,0]=3 512 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,0,1,0|1,0,0]=3 513 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,0,1,0|2,0,0]=4 514 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,0,1,0|2,0,0]=4 515 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,0,1,0|2,0,0]=4 516 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,0,1,0|2,0,0]=4 517 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,0,1,0|0,0,0]=2 518 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,0,1,0|1,0,1]=4 519 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,0,1,0|1,0,1]=4 520 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,0,1,0|1,0,1]=4 521 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,0,1,0|1,0,0]=3 522 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,0,1,0|1,0,0]=3 523 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,0,1,0|1,0,0]=3 524 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,0,1,0|1,0,0]=3 525 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,0,1,0|1,0,1]=4 526 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,0,1,0|0,0,1]=3 527 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,0,1,0|0,0,1]=3 528 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,0,1,0|1,0,1]=4 529 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,0,1,0|1,0,1]=4 530 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,0,1,0|1,0,0]=3 531 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,0,1,0|1,0,0]=3 532 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,0,1,0|1,0,0]=3 537 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,0,1,0|1,0,0]=3 538 B8R1.7 FC(F)[C@H]1CCNC1 P19957 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.7 FC(F)[C@H]1CCNC1 P19958 [0,1,0,0,1,0|2,0,0]=4 540 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,0,1,0|1,0,1]=4 541 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,0,1,0|0,0,2]=4 542 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,0,1,0|1,0,1]=4 543 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,0,1,0|1,0,1]=4 544 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,0,1,0|1,0,1]=4 545 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,0,1,0|1,0,1]=4 546 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,0,1,0|1,0,1]=4 547 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,0,1,0|1,0,0]=3 548 B8R1.8 C#CCN1CCCC1 98376 [0,1,0,0,1,0|2,0,0]=4 549 B8R1.8 C#CCN1CCCC1 W15840 [0,1,0,0,1,0|2,0,0]=4 550 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,0,1,0|2,0,0]=4 551 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,0,1,0|2,0,0]=4 552 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,0,1,0|2,0,0]=4 553 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,0,1,0|2,0,0]=4 554 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,0,1,0|2,0,0]=4 555 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,0,1,0|1,0,0]=3 556 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,0,1,0|1,0,0]=3 557 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,0,1,0|1,0,0]=3 558 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,0,1,0|1,0,0]=3 559 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,0,1,0|1,0,0]=3 560 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,0,1,0|1,0,0]=3 561 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,0,1,0|1,0,0]=3 562 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,0,1,0|1,0,0]=3 563 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,0,1,0|1,0,0]=3 564 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,0,1,0|2,0,0]=4 565 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,0,1,0|1,0,0]=3 566 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,0,1,0|0,0,1]=3 567 B8R1.8 OCCC1OCCO1 W16263 [0,1,0,0,1,0|1,0,0]=3 568 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,0,1,0|1,0,0]=3 569 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,0,1,0|1,0,0]=3 570 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,0,1,0|1,0,1]=4 571 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,0,1,0|2,0,0]=4 572 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,0,1,0|2,0,0]=4 573 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,0,1,0|2,0,0]=4 574 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,0,1,0|2,0,0]=4 575 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,0,1,0|2,0,0]=4 576 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,0,1,0|2,0,0]=4 577 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,0,1,0|1,0,0]=3 578 B8R1.11 NCC1CCCC1N F20645 [0,1,0,0,1,0|1,0,0]=3 579 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,0,1,0|2,0,0]=4 580 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,0,1,0|1,0,1]=4 581 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,0,1,0|2,0,0]=4 582 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,0,1,0|0,0,1]=3 583 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,0,1,0|1,0,1]=4 584 B8R1.11 OCC1CNCC1O 73097 [0,1,0,0,1,0|1,0,0]=3 585 B8R1.52 CC1(C=O)CCCC1 90941 [0,1,0,0,1,0|0,0,2]=4 586 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,0,1,0|1,0,0]=3 587 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,0,1,0|0,0,0]=2 588 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,0,1,0|1,0,0]=3 589 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,0,1,0|2,0,0]=4 590 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,0,1,0|2,0,0]=4 591 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,0,1,0|1,0,0]=3 592 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,0,1,0|1,0,0]=3 593 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,0,1,0|1,0,0]=3 594 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,0,1,0|1,0,0]=3 595 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,0,1,0|1,0,0]=3 596 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,1,0,0,1,0|1,0,0]=3 597 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,1,0,0,1,0|1,0,0]=3 598 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.232 C[C@]1(CO)CCCNCC1 73021 [0,1,0,0,0,1|1,0,0]=3 600 B10R1.232 NCC1(O)CCCCCC1 C78231 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P15963 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,2,0,0,0,0|1,0,1]=4 608 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.3 CCC1CCC(CO)CC1 P18075 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.3 COC1CCC(CBr)CC1 AC1239 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.3 NC[C@H]1CC[C@@H](CN)CC1 T70002 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.3 NC[C@H]1CC[C@H](CO)CC1 D73841 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.3 NC[C@H]1CC[C@H](CO)CC1 P13865 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.3 O=CC1CCC(CO)CC1 D93138 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.3 O=CN1CCC(CO)CC1 F16174 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,2,0,0,0,0|1,0,1]=4 619 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,2,0,0,0,0|1,0,1]=4 620 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,2,0,0,0,0|1,0,1]=4 621 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,2,0,0,0,0|1,0,1]=4 622 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,2,0,0,0,0|1,0,1]=4 623 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,2,0,0,0,0|1,0,1]=4 624 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.26 C[C@]1(O)CC[C@@H](CN)CC1 P18238 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.26 C[C@]1(O)CC[C@H](CN)CC1 P20268 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.26 C[C@]1(O)CC[C@H](CN)CC1 P20269 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.26 O=S1(=O)CCC(CO)CC1 AC6194 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.26 OC[C@H]1CCC(F)(F)CO1 P19695 [0,2,0,0,0,0|0,0,0]=2 631 B10R1.473 CN1CCC(F)(CO)CC1 32183 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.2 CN1CCO[C@@H](CO)C1=O 32548 [0,2,0,0,0,0|1,0,1]=4 633 B10R1.8 CC1CC(C)CC(CO)C1 P18074 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.10 CN1CCC[C@H](CCO)C1 P11620 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,2,0,0,0,0|1,0,1]=4 636 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,2,0,0,0,0|1,0,1]=4 637 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,2,0,0,0,0|1,0,1]=4 638 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,2,0,0,0,0|1,0,1]=4 639 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,2,0,0,0,0|1,0,1]=4 640 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,2,0,0,0,0|1,0,1]=4 641 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,2,0,0,0,0|1,0,1]=4 642 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,2,0,0,0,0|1,0,1]=4 643 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,2,0,0,0,0|1,0,1]=4 644 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,2,0,0,0,0|1,0,1]=4 645 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,2,0,0,0,0|1,0,1]=4 646 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,2,0,0,0,0|1,0,1]=4 650 B10R1.171 CC1(C)CCC[C@H](CN)C1 54102 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.171 CC1(C)CNC[C@H](CO)O1 62005 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.171 CC1(C)CNC[C@H](CO)O1 69552 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.171 CC1(C)CNC[C@H](CO)O1 69560 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.171 CC1(C)CNC[C@H](CO)O1 69564 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.171 NC[C@H]1CCCC(F)(F)C1 P18688 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.171 OC[C@H]1CCCC(F)(F)C1 P19049 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.172 CCN1CCC[C@H](CO)C1 F52823 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.15 C#C[C@@H](O)C1CCCCC1 79797 [0,2,0,0,0,0|1,0,0]=3 659 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.28 CC(C)(O)C1CCCCC1 P15991 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.28 CC(C)(O)[C@@H]1CNCCN1 80546 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.28 FC(F)(F)[C@@H]1CNCCO1 D97237 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.61 CC(C)C1CCCCC1O C77548 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,2,0,0,0,0|1,0,1]=4 669 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,2,0,0,0,0|1,0,1]=4 672 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,2,0,0,0,0|1,0,1]=4 673 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,2,0,0,0,0|1,0,1]=4 674 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.363 CC(C)C1(O)CCCCC1 D93300 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.363 O=C(O)C1(F)CCCCC1 85750 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.17 BrCCCN1CCCCO1 72825 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.17 BrCCOC1CCCCC1 C77571 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.17 COCCC1CCNCC1 38531 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.17 COCC[C@H]1CCCCN1 C71587 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.17 N#CCO[C@@H]1CCCCO1 72775 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.17 OCCC[C@H]1CCCCN1 59724 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.17 OCCNC1CCOCC1 D97603 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.17 OCCOC1CCNCC1 C77513 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.17 OCCOC1CCOCC1 W16008 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.18 CN(C)CC1CCCCC1 78298 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [0,2,0,0,0,0|1,0,0]=3 699 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.18 OB(O)CC1CCCCC1 W17229 [0,2,0,0,0,0|1,0,0]=3 701 B10R1.18 OB(O)CC1CCOCC1 AC8805 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.377 COCC1(O)CCNCC1 W19650 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.377 N#CCC1(N)CCCCC1 F31398 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.377 NCCC1(O)CCCCC1 D96646 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.38 OC[C@H]1CNCCC1(F)F 72784 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.230 CC1(CO)CNCCC1O 73159 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.245 CC1CCCC(C)C1CO P18073 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.487 CCC1(CO)CCOCC1 W15965 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.487 N#CC1(CO)CCOCC1 W10877 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.487 NCC1(CO)CCOCC1 F53369 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.10 OCCCC1COC1 89590 [0,0,1,1,0,0|2,0,0]=4 712 B8R1.10 OCCCN1CCC1 70850 [0,0,1,1,0,0|2,0,0]=4 713 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,0,1,1,0,0|0,0,0]=2 714 B8R1.22 BrC1CCCCCC1 F53566 [0,0,1,1,0,0|2,0,0]=4 715 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,1,1,0,0|2,0,0]=4 716 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,1,1,0,0|2,0,0]=4 717 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,1,1,0,0|2,0,0]=4 718 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,1,1,0,0|2,0,0]=4 719 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,1,1,0,0|2,0,0]=4 720 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,1,1,0,0|2,0,0]=4 721 B8R1.22 C[C@H]1CNCCOC1 73160 [0,0,1,1,0,0|2,0,0]=4 722 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,0,1,1,0,0|2,0,0]=4 723 B8R1.22 OC1CNCCNC1 77717 [0,0,1,1,0,0|2,0,0]=4 724 B8R1.36 NCCNCC1CC1 P18278 [0,0,1,1,0,0|2,0,0]=4 725 B8R1.36 OCCCC[C@H]1CO1 F52608 [0,0,1,1,0,0|0,0,0]=2 726 B8R1.36 OCCNCC1CC1 AC1354 [0,0,1,1,0,0|1,0,0]=3 727 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,0,1,1,0,0|2,0,0]=4 728 B8R1.47 COC1CC(CO)C1 P20964 [0,0,1,1,0,0|2,0,0]=4 729 B8R1.47 NCC1CC(CO)C1 P14791 [0,0,1,1,0,0|2,0,0]=4 730 B8R1.47 OCC1CC(CO)C1 P19528 [0,0,1,1,0,0|2,0,0]=4 731 B8R1.47 OC[C@@H]1C[C@H](CO)N1 P20757 [0,0,1,1,0,0|2,0,0]=4 732 B8R1.50 OC1OC[C@@H](O)[C@@H]1O T73097 [0,0,1,1,0,0|2,0,0]=4 733 B8R1.60 COC1(CN)CNC1 P18538 [0,0,1,1,0,0|2,0,0]=4 734 B8R1.60 COC1(CO)CNC1 P20649 [0,0,1,1,0,0|1,0,0]=3 735 B8R1.60 COC1(CO)COC1 P17512 [0,0,1,1,0,0|1,0,0]=3 736 B8R1.82 COC1(CCN)CC1 P18937 [0,0,1,1,0,0|2,0,0]=4 737 B8R2.23 C1NCC2CC1N2 F18876 [1,0,0,1,0,0|2,0,0]=4 738 B8R2.25 C1CNC2CC2C1 70876 [1,0,0,1,0,0|1,0,0]=3 739 B8R2.25 C1CNC2CC2N1 P18856 [1,0,0,1,0,0|2,0,0]=4 740 B8R2.34 C1CC2CC1CN2 D73537 [1,0,0,1,0,0|1,0,0]=3 741 B8R2.34 C1CC2CC1CN2 P10332 [1,0,0,1,0,0|1,0,0]=3 742 B8R2.34 C1CC2CCC1C2 F16610 [1,0,0,1,0,0|1,0,0]=3 743 B8R2.34 C1CC2CCC1N2 39142 [1,0,0,1,0,0|2,0,0]=4 744 B8R2.34 C1OC2CNC1C2 CS1881 [1,0,0,1,0,0|1,0,0]=3 745 B8R2.34 C1OC2CNC1C2 SC1961 [1,0,0,1,0,0|1,0,0]=3 746 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [1,0,0,1,0,0|1,0,0]=3 747 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [1,0,0,1,0,0|1,0,0]=3 748 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [1,0,0,1,0,0|1,0,0]=3 749 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,1,1,0|1,0,0]=3 750 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,1,1,0|2,0,0]=4 751 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,1,1,0|2,0,0]=4 752 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,1,1,0|2,0,0]=4 753 B10R2.41 OC1C2CCC1CNC2 38879 [0,0,0,1,0,1|1,0,0]=3 754 B10R2.41 OC1[C@H]2CC[C@@H]1CNC2 P17886 [0,0,0,1,0,1|1,0,0]=3 755 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 P17462 [0,0,0,1,0,1|1,0,0]=3 756 B10R2.120 OCC12CCCNC1C2 D79485 [0,0,0,1,0,1|1,0,0]=3 757 B10R2.409 C1CC2CCC1CNC2 P17930 [0,0,0,1,0,1|2,0,0]=4 758 B10R2.409 C1CN2CCC(CC2)N1 26408 [0,0,0,1,0,1|2,0,0]=4 759 B10R2.62 O=C1CC2CCC1CC2 91055 [0,1,0,1,0,0|1,0,1]=4 760 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,1,0,1,0,0|1,0,1]=4 761 B10R2.62 OC1CC2CCC1NC2 37779 [0,1,0,1,0,0|1,0,0]=3 762 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,1,0,1,0,0|1,0,0]=3 763 B10R2.178 OC1CCC2CCC1N2 P16165 [0,1,0,1,0,0|2,0,0]=4 764 B10R2.582 NC12CCC(CC1)CC2 60107 [0,1,0,1,0,0|2,0,0]=4 765 B10R2.71 NC1C[C@@H]2CC[C@H](C1)N2 D78856 [0,1,0,1,0,0|2,0,0]=4 766 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 P16198 [0,1,0,1,0,0|1,0,0]=3 767 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 P16217 [0,1,0,1,0,0|1,0,0]=3 768 B10R2.99 OC[C@@H]1C[C@H]2CC[C@@H]1O2 D79702 [0,1,0,1,0,0|1,0,0]=3 769 B10R2.99 OC[C@H]1C[C@H]2CC[C@@H]1O2 D79703 [0,1,0,1,0,0|1,0,0]=3 770 B10R2.408 C1CC2CCCC(C1)N2 38672 [0,1,0,1,0,0|2,0,0]=4 771 B10R2.408 C1CC2COCC(C1)N2 P13391 [0,1,0,1,0,0|1,0,0]=3 772 B10R2.534 N[C@H]1CCCC2(CC2)C1 P17890 [0,1,0,1,0,0|2,0,0]=4 773 B10R2.6 C1CO[C@H](C2CC2)CN1 F20609 [0,1,0,1,0,0|2,0,0]=4 774 B10R2.196 FC1(F)C2NCCOC21 D96791 [0,1,0,1,0,0|2,0,0]=4 775 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,1,0,1,0,0|1,0,1]=4 776 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,1,0,1,0,0|1,0,1]=4 777 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,1,0,1,0,0|1,0,1]=4 778 B10R2.7 C1CC2NCCOC2C1 D79202 [0,1,0,1,0,0|2,0,0]=4 779 B10R2.7 C1CCC2COCC2C1 D93889 [0,1,0,1,0,0|1,0,0]=3 780 B10R2.7 C1CCN2CCC[C@H]2C1 64826 [0,1,0,1,0,0|2,0,0]=4 781 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 W10889 [0,1,0,1,0,0|2,0,0]=4 782 B10R2.7 C1CO[C@@H]2CNC[C@@H]2O1 P15023 [0,1,0,1,0,0|2,0,0]=4 783 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D78871 [0,1,0,1,0,0|2,0,0]=4 784 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D78872 [0,1,0,1,0,0|2,0,0]=4 785 B10R2.7 C1C[C@@H]2OCCN[C@@H]2C1 D79368 [0,1,0,1,0,0|2,0,0]=4 786 B10R2.160 OCC1C2CNCC1C2 P15876 [0,1,0,1,0,0|2,0,0]=4 787 B10R2.484 C1CC2(C1)CNCCO2 33374 [0,1,0,1,0,0|2,0,0]=4 788 B10R2.484 C1CC2(CCN1)CCO2 32873 [0,1,0,1,0,0|2,0,0]=4 789 B10R2.484 C1CC2(CCN1)COC2 59845 [0,1,0,1,0,0|2,0,0]=4 790 B10R2.484 C1CCC2(CC1)CNC2 33402 [0,1,0,1,0,0|2,0,0]=4 791 B10R2.484 C1CCC2(CNC2)OC1 32164 [0,1,0,1,0,0|1,0,0]=3 792 B10R2.484 C1CCC2(CNC2)OC1 38559 [0,1,0,1,0,0|1,0,0]=3 793 B10R2.484 C1CNCC2(C1)CCO2 38557 [0,1,0,1,0,0|2,0,0]=4 794 B10R2.484 C1CNCC2(C1)COC2 32830 [0,1,0,1,0,0|2,0,0]=4 795 B10R2.484 C1CNCC2(C1)COC2 39205 [0,1,0,1,0,0|2,0,0]=4 796 B10R2.484 C1CNCC2(C1)COC2 CS2136 [0,1,0,1,0,0|2,0,0]=4 797 B10R2.484 C1COC2(CN1)COC2 20264 [0,1,0,1,0,0|1,0,0]=3 798 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,0,1,0|1,0,0]=3 799 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,0,1,0|1,0,0]=3 800 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,0,1,0|2,0,0]=4 801 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,0,1,0|2,0,0]=4 802 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,0,1,0|2,0,0]=4 803 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,0,1,0|2,0,0]=4 804 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,0,1,0|2,0,0]=4 805 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,0,1,0|2,0,0]=4 806 B6R1.2 NN1CCCC1 F13227 [1,0,0,0,1,0|2,0,0]=4 807 B6R1.2 NN1CCCC1 S12058 [1,0,0,0,1,0|2,0,0]=4 808 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,0,1,0|2,0,0]=4 809 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,0,1,0|1,0,0]=3 810 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,0,1,0|2,0,0]=4 811 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,0,0,2,0|1,0,0]=3 812 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,0,0,2,0|1,0,0]=3 813 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,0,0,2,0|1,0,0]=3 814 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,0,0,0,2,0|1,0,1]=4 815 B6R1.6 CNC1CCC1 20929 [0,0,0,0,2,0|2,0,0]=4 816 B6R1.6 FCC1CNC1 86811 [0,0,0,0,2,0|2,0,0]=4 817 B6R1.6 NCC1CNC1 26899 [0,0,0,0,2,0|2,0,0]=4 818 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,0,2,0|2,0,0]=4 819 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,0,2,0|1,0,0]=3 820 B6R1.6 NNC1CCC1 AB1362 [0,0,0,0,2,0|2,0,0]=4 821 B6R1.6 NNC1CCC1 BL010353 [0,0,0,0,2,0|2,0,0]=4 822 B6R1.6 OCC1CNC1 65945 [0,0,0,0,2,0|1,0,0]=3 823 B6R1.6 OC[C@H]1CCN1 36269 [0,0,0,0,2,0|1,0,0]=3 824 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,0,2,0|1,0,0]=3 825 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,0,2,0|1,0,0]=3 826 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,0,2,0|0,0,0]=2 827 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,0,2,0|0,0,0]=2 828 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,0,2,0|0,0,0]=2