0 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 C=C1CCNCC1 88914 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C=C1CCOCC1 84295 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,0,0,0|1,0,2]=3 20 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 O=C1CSCCN1 23643 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,0,0,0|1,0,2]=3 26 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,0,0,0|1,0,2]=3 27 B7R1.3 SC1CCNCC1 39018 [0,0,0,0,0,0|1,1,1]=3 28 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,0,0,0|1,1,1]=3 29 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,0,0,0|1,1,1]=3 30 B6R1.1 C1CCNNC1 71659 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,0,0,0|1,0,1]=3 44 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.2 N#CN1CCCCC1 A12086 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,0,0,0|1,0,1]=3 72 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,0,0,0|1,0,1]=3 73 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,0,0,0|1,0,1]=3 75 B8R1.2 O=NN1CCOCC1 T72681 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,0,0,0|1,0,2]=4 77 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,0,0,0|1,0,2]=4 78 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,0,0,0|1,0,2]=4 79 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,0,0,0|1,0,2]=4 80 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,0,0,0|0,0,2]=3 82 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,0,0,0|0,0,2]=3 84 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,0,0,0|0,0,2]=3 86 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,0,0,0|1,0,1]=3 91 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,1,0,0,0,0|1,0,2]=4 98 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,0,0,0|0,0,0]=1 100 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.3 O=C1NCC(O)CN1 D82915 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,0,0,0|0,0,2]=3 105 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,0,0,0|1,0,2]=4 107 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,0,0,0|1,0,2]=4 110 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,0,0,0|1,0,2]=4 111 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,0,0,0|1,0,2]=4 112 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.4 NC1=CC(=O)COC1 P18321 [0,1,0,0,0,0|1,0,2]=4 134 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,0,0,0|1,0,2]=4 135 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,0,0,0|0,0,2]=3 136 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,0,0,0|0,0,2]=3 137 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,0,0,0|0,0,2]=3 138 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,0,0,0|0,0,0]=1 139 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,0,0,0|0,0,2]=3 143 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,0,0,0|0,0,2]=3 144 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.4 O=C1CNCC(=O)C1 91786 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,1,0,0,0,0|1,0,2]=4 150 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,0,0,0|0,0,2]=3 151 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,0,0,0|0,0,2]=3 152 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.5 CC1CCNCC1O 38882 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.5 CC1CNCCC1O 20765 [0,1,0,0,0,0|1,0,2]=4 155 B8R1.5 CC1CNCCC1O 33365 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.5 CC1COCCC1N 33469 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,0,0,0|1,0,1]=3 159 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,0,0,0|0,0,0]=1 162 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,0,0,0|1,0,2]=4 165 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,0,0,0|1,0,2]=4 169 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,0,0,0|1,0,0]=2 170 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.5 NC1CCOCC1O P16839 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,0,0,0|1,0,2]=4 176 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,0,0,0|1,0,2]=4 177 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,0,0,0|1,0,2]=4 178 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,0,0,0|0,0,0]=1 179 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,0,0,0|1,0,1]=3 180 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,0,0,0|1,0,1]=3 181 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,0,0,0|1,0,1]=3 182 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,0,0,0|1,0,1]=3 183 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,0,0,0|1,0,1]=3 184 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,0,0,0|1,0,2]=4 189 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,0,0,0|1,0,2]=4 190 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,0,0,0|1,0,2]=4 191 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,0,0,0|1,0,2]=4 193 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,0,0,0|1,0,0]=2 196 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.5 OC1CCOCC1F P14713 [0,1,0,0,0,0|1,0,2]=4 198 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,0,0,0|1,0,2]=4 199 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,0,0,0|1,0,2]=4 200 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,0,0,0|1,0,2]=4 201 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,0,0,0|0,0,2]=3 202 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,0,0,0|1,0,2]=4 203 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,0,0,0|1,0,2]=4 204 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,0,0,0|1,0,2]=4 205 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,0,0,0|1,0,2]=4 206 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,0,0,0|1,0,2]=4 207 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,0,0,0|1,0,2]=4 208 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,0,0,0|1,0,1]=3 209 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,0,0,0|1,0,2]=4 214 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,0,0,0|1,0,2]=4 215 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,0,0,0|1,0,2]=4 216 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,0,0,0|1,0,2]=4 217 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,0,0,0|1,0,2]=4 218 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.72 C[Si]1(C)CCNCC1 P12584 [0,1,0,0,0,0|2,1,0]=4 220 B8R1.72 FC1(F)CCNCC1 32752 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.72 O=S1(=O)CCOCN1 91996 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,1,0,0,0|1,0,1]=3 223 B6R0.1 CCC[C@H](N)CO C13482 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.1 CCNC(=O)CO 79517 [0,0,1,0,0,0|2,0,0]=3 225 B6R0.1 CC[C@H](S)CCO D84734 [0,0,1,0,0,0|1,1,1]=4 226 B6R0.1 CNC(=O)CCN C75423 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.1 CNC(=O)CCO AC6610 [0,0,1,0,0,0|2,0,0]=3 228 B6R0.1 CNC(=O)CCS A11187 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.1 COC(=O)OCCl R10013 [0,0,1,0,0,0|3,0,0]=4 230 B6R0.1 NNC(=O)CCO C77491 [0,0,1,0,0,0|3,0,0]=4 231 B6R0.4 C#CCNC(C)=O 78861 [0,0,1,0,0,0|1,0,2]=4 232 B6R0.4 C=C(C)CCCBr 71968 [0,0,1,0,0,0|2,0,0]=3 233 B6R0.4 C=CCCC(=O)Cl F16765 [0,0,1,0,0,0|1,0,2]=4 234 B6R0.4 CC(=O)CCC=O P17049 [0,0,1,0,0,0|1,0,1]=3 235 B6R0.4 CC(=O)CCCBr 25631 [0,0,1,0,0,0|1,0,0]=2 236 B6R0.4 CC(=O)OCCN W11955 [0,0,1,0,0,0|2,0,0]=3 237 B6R0.4 CCOCC(=O)O D73862 [0,0,1,0,0,0|2,0,0]=3 238 B6R0.4 CCOC[C@H](C)N 75202 [0,0,1,0,0,0|2,0,1]=4 239 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,0,1,0,0,0|2,0,1]=4 240 B6R0.4 NC(=O)OCCO A11395 [0,0,1,0,0,0|3,0,0]=4 241 B6R0.4 NCCCC(N)=O C72206 [0,0,1,0,0,0|2,0,0]=3 242 B6R0.4 O=C([O-])CNCO F20522 [0,0,1,0,0,0|3,0,0]=4 243 B6R0.6 C#CCCCCI C74272 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.6 C#CCCCCN 79352 [0,0,1,0,0,0|2,0,1]=4 245 B6R0.6 C=CCNCCO W12833 [0,0,1,0,0,0|3,0,0]=4 246 B6R0.6 CCOCCCBr A11082 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.6 CCOCCON W15834 [0,0,1,0,0,0|3,0,0]=4 248 B6R0.6 CNCCCCBr C74879 [0,0,1,0,0,0|2,0,1]=4 249 B6R0.6 CNCCCCN D80538 [0,0,1,0,0,0|2,0,1]=4 250 B6R0.6 N#CCCCCBr D77353 [0,0,1,0,0,0|2,0,1]=4 251 B6R0.6 NCCCCCBr 97997 [0,0,1,0,0,0|2,0,1]=4 252 B6R0.6 O=NCNCCO D93315 [0,0,1,0,0,0|3,0,0]=4 253 B6R0.6 OCCCCCO D77911 [0,0,1,0,0,0|1,0,2]=4 254 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,1,0,0|2,0,1]=4 255 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,1,0,0|0,0,0]=1 256 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,1,0,0|2,0,1]=4 257 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,1,0,0|2,0,1]=4 258 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,1,0,0|2,0,1]=4 259 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,1,0,0|2,0,1]=4 260 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,1,0,0|1,0,1]=3 261 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,1,0,0|1,0,1]=3 262 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,1,0,0|0,0,0]=1 263 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,1,0,0|1,0,0]=2 264 B6R1.2 C=C1CCNC1 F13598 [0,0,0,0,1,0|2,0,0]=3 265 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,0,1,0|2,0,1]=4 266 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,0,1,0|2,0,1]=4 267 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,0,1,0|2,0,1]=4 268 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,0,1,0|2,0,1]=4 269 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,0,1,0|2,0,1]=4 270 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,0,1,0|2,0,1]=4 271 B6R1.2 IC1=COCC1 P19286 [0,0,0,0,1,0|2,0,1]=4 272 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,0,1,0|2,0,1]=4 273 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,0,1,0|2,0,1]=4 274 B6R1.2 NC1=NCCO1 53947 [0,0,0,0,1,0|3,0,0]=4 275 B6R1.2 NN1CCCC1 F13227 [0,0,0,0,1,0|2,0,0]=3 276 B6R1.2 NN1CCCC1 S12058 [0,0,0,0,1,0|2,0,0]=3 277 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,0,1,0|2,0,1]=4 278 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,0,1,0|1,0,2]=4 279 B6R1.2 O=C1CNCN1 25530 [0,0,0,0,1,0|2,0,0]=3 280 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,0,1,0|1,0,2]=4 281 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,0,0,1|1,0,1]=3 282 B8R1.22 CC1CNCCNC1 70848 [0,0,0,0,0,1|2,0,1]=4 283 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,0,0,1|1,0,1]=3 284 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,0,0,1|1,0,1]=3 285 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,0,0,1|1,0,1]=3 286 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,0,0,1|1,0,1]=3 287 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,0,0,1|2,0,1]=4 289 B8R1.22 C[C@H]1CNCCOC1 73160 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,0,0,1|1,0,0]=2 291 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,0,0,1|1,0,1]=3 292 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,0,0,1|0,0,0]=1 294 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,0,0,1|0,0,0]=1 295 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,0,0,1|0,0,0]=1 296 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,0,0,1|1,0,0]=2 297 B8R1.22 O=C1CNCCNC1 77718 [0,0,0,0,0,1|1,0,0]=2 298 B8R1.22 O=C1CNCCOC1 P20266 [0,0,0,0,0,1|1,0,0]=2 299 B8R1.22 O=C1COCCCN1 71169 [0,0,0,0,0,1|1,0,0]=2 300 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,0,0,1|1,0,0]=2 301 B8R1.22 OC1CNCCNC1 77717 [0,0,0,0,0,1|1,0,2]=4 302 B5R0.1 CCC[C@H](C)N P14575 [1,0,1,0,0,0|1,0,1]=4 303 B5R0.1 CCC[C@H](C)N Y10887 [1,0,1,0,0,0|1,0,1]=4 304 B5R0.1 CNCC(=O)[O-] F20742 [1,0,1,0,0,0|2,0,0]=4 305 B5R0.2 C#CCCC=O 89357 [1,0,1,0,0,0|0,0,2]=4 306 B5R0.2 C=CCCNC W16107 [1,0,1,0,0,0|1,0,1]=4 307 B5R0.2 CCCCON 31644 [1,0,1,0,0,0|2,0,0]=4 308 B5R0.2 COCCCO D77912 [1,0,1,0,0,0|1,0,1]=4 309 B5R0.2 NCCCCCl F19552 [1,0,1,0,0,0|2,0,0]=4 310 B5R0.2 O=CCCCO 55817 [1,0,1,0,0,0|1,0,0]=3 311 B5R0.3 CCC(=O)CN S11993 [1,0,1,0,0,0|1,0,0]=3 312 B5R0.3 CC[PH](=O)CC C77650 [1,0,1,0,0,0|1,0,0]=3 313 B7R0.2 CC(C)NC(=O)CBr A12824 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.2 CC(C)NC(=O)CI A11046 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.2 CC(C)OC(=O)CN FD21588 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,1,0,0,0|1,0,0]=3 317 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,1,0,0,0|1,0,0]=3 318 B7R0.3 C#CCCC(=O)OC AT21755 [0,1,1,0,0,0|1,0,1]=4 319 B7R0.3 C=CC(=O)NCCC AB9941 [0,1,1,0,0,0|0,0,2]=4 320 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,1,0,0,0|1,0,1]=4 321 B7R0.3 CCC(=O)OCCO A11774 [0,1,1,0,0,0|1,0,0]=3 322 B7R0.3 CNCCC(=O)OC AB11809 [0,1,1,0,0,0|1,0,0]=3 323 B7R0.3 COC(=O)CCCI F19766 [0,1,1,0,0,0|1,0,0]=3 324 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,1,0,0,0|1,0,1]=4 325 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,1,0,0,0|1,0,0]=3 326 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,1,0,0,0|1,0,0]=3 327 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,1,0,0,0|1,0,1]=4 329 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,1,0,0,0|1,0,1]=4 330 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,1,0,0,0|1,0,1]=4 331 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,1,0,0,0|1,0,1]=4 332 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,1,0,0,0|1,0,0]=3 333 B7R0.7 CCNC(=O)CNC A12930 [0,1,1,0,0,0|1,0,0]=3 334 B7R0.7 COCC(=O)COC 36699 [0,1,1,0,0,0|1,0,0]=3 335 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,1,0,0,0|1,0,0]=3 337 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,1,0,0,0|2,0,0]=4 339 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,1,0,0,0|2,0,0]=4 340 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,1,0,0,0|2,0,0]=4 341 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,1,0,0,0|2,0,0]=4 343 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,1,0,0,0|2,0,0]=4 345 B7R0.11 CCOS(=O)(=O)CC A10945 [0,1,1,0,0,0|2,0,0]=4 346 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.12 CCN(CCO)N=O T71710 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.4 CC(=O)CCCCBr O11558 [0,1,1,0,0,0|0,0,0]=2 349 B7R0.4 CC(=O)OCCCBr C75766 [0,1,1,0,0,0|1,0,0]=3 350 B7R0.4 CC(C)CCCCBr C74820 [0,1,1,0,0,0|1,0,1]=4 351 B7R0.4 CCCNCC(C)C AC1640 [0,1,1,0,0,0|1,0,1]=4 352 B7R0.4 CCCOCC(=O)O AC1647 [0,1,1,0,0,0|1,0,0]=3 353 B7R0.4 CCNCCC(N)=O AT24732 [0,1,1,0,0,0|1,0,0]=3 354 B7R0.4 CN(C)CCCCCl W16936 [0,1,1,0,0,0|2,0,0]=4 355 B7R0.4 CNCCCC(N)=O 21232 [0,1,1,0,0,0|1,0,0]=3 356 B7R0.4 COCCCC(=O)O 78063 [0,1,1,0,0,0|1,0,0]=3 357 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,1,0,0,0|1,0,1]=4 358 B7R0.4 NCCNCC(=O)O FD21628 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.4 O=C([O-])COCCO A11454 [0,1,1,0,0,0|2,0,0]=4 360 B7R0.6 CC(=O)NNC(C)C F19849 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,1,1,0,0,0|2,0,0]=4 362 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,1,1,0,0,0|1,0,0]=3 363 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,1,1,0,0,0|1,0,0]=3 364 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,1,1,0,0,0|0,0,2]=4 365 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,1,1,0,0,0|2,0,0]=4 366 B7R0.8 CS(=O)(=O)CCCCl Y14711 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.8 CS(=O)(=O)CCCN D70786 [0,1,1,0,0,0|2,0,0]=4 368 B7R0.1 C=CCCCCNC R10008 [0,1,1,0,0,0|1,0,0]=3 369 B7R0.1 CCCNCCCO AB4057 [0,1,1,0,0,0|0,0,2]=4 370 B7R0.1 COCOCCC=O 32199 [0,1,1,0,0,0|1,0,0]=3 371 B7R0.1 FCCCCCCBr A50948 [0,1,1,0,0,0|1,0,1]=4 372 B7R0.1 NCCCCCCBr D83295 [0,1,1,0,0,0|1,0,1]=4 373 B7R0.1 NCCCCCCS F31196 [0,1,1,0,0,0|0,1,1]=4 374 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,0,1,0|1,0,1]=4 375 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,0,1,0|1,0,1]=4 376 B7R1.1 COC1=CCCC1 D93350 [0,1,0,0,1,0|0,0,2]=4 377 B7R1.1 NCC1CCCC1 P10292 [0,1,0,0,1,0|1,0,1]=4 378 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,0,1,0|1,0,1]=4 379 B7R1.1 NOC1CCCC1 97655 [0,1,0,0,1,0|0,0,2]=4 380 B7R1.1 O=CC1=CCCC1 26227 [0,1,0,0,1,0|0,0,1]=3 381 B7R1.1 O=CC1=CCCO1 D79895 [0,1,0,0,1,0|1,0,1]=4 382 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,0,1,0|1,0,1]=4 383 B7R1.2 C=C1CCC(=O)O1 T71516 [0,1,0,0,1,0|1,0,1]=4 384 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,0,1,0|1,0,0]=3 385 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,0,1,0|2,0,0]=4 386 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,0,1,0|2,0,0]=4 387 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,0,1,0|2,0,0]=4 388 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,0,1,0|2,0,0]=4 389 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,0,1,0|1,0,0]=3 390 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,0,1,0|1,0,0]=3 391 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,0,1,0|1,0,0]=3 392 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,0,1,0|2,0,0]=4 393 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,0,1,0|2,0,0]=4 394 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,0,1,0|2,0,0]=4 395 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,0,1,0|2,0,0]=4 396 B7R1.2 NC1=CC(=O)CC1 90005 [0,1,0,0,1,0|0,0,2]=4 397 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,0,1,0|1,0,1]=4 398 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,0,1,0|0,0,2]=4 399 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,0,1,0|0,0,2]=4 400 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,0,1,0|1,0,1]=4 401 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,0,1,0|1,0,1]=4 402 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,0,1,0|0,0,2]=4 403 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,0,1,0|0,0,2]=4 404 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,0,1,0|0,0,2]=4 405 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,0,1,0|0,0,2]=4 406 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,0,1,0|0,0,2]=4 407 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,0,1,0|0,0,2]=4 408 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,0,1,0|1,0,0]=3 409 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,0,1,0|1,0,0]=3 410 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,0,1,0|1,0,0]=3 411 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,0,1,0|1,0,0]=3 412 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,0,1,0|1,0,1]=4 413 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,0,1,0|0,0,2]=4 414 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,0,1,0|0,0,2]=4 415 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,0,1,0|0,0,2]=4 416 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,1,0,0,1,0|0,0,2]=4 417 B7R1.2 O=C1C=C(I)CC1 A12694 [0,1,0,0,1,0|0,0,2]=4 418 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,0,1,0|0,0,0]=2 419 B7R1.2 O=C1CNC(=O)C1 76756 [0,1,0,0,1,0|1,0,1]=4 420 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,0,1,0|1,0,0]=3 421 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,0,1,0|0,0,2]=4 422 B7R1.4 BrC1=C(Br)CCC1 79351 [0,1,0,0,1,0|1,0,1]=4 423 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,0,1,0|1,0,1]=4 424 B7R1.4 CN1CCNC1=O 81682 [0,1,0,0,1,0|2,0,0]=4 425 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,0,1,0|1,0,1]=4 426 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,0,1,0|0,0,2]=4 427 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,0,1,0|0,0,2]=4 428 B7R1.4 NC1CCCC1N F16273 [0,1,0,0,1,0|1,0,1]=4 429 B7R1.4 NN1CCOC1=O S10190 [0,1,0,0,1,0|2,0,0]=4 430 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,0,1,0|0,0,2]=4 431 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,0,1,0|1,0,1]=4 432 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,0,1,0|1,0,1]=4 433 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,0,1,0|0,0,2]=4 434 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,0,1,0|1,0,1]=4 435 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,0,1,0|1,0,0]=3 436 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,0,1,0|1,0,0]=3 437 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,0,1,0|1,0,0]=3 438 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,0,1,0|1,0,0]=3 439 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,0,1,0|1,0,0]=3 440 B7R1.4 N[C@H]1CONC1=O FD3007 [0,1,0,0,1,0|2,0,0]=4 441 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,0,1,0|1,0,0]=3 442 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,0,1,0|1,0,0]=3 443 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,1,0,0,1,0|1,0,1]=4 444 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,0,1,0|1,0,1]=4 445 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,0,1,0|1,0,1]=4 446 B7R1.14 O=S1(=O)CCCO1 D77717 [0,1,0,0,1,0|2,0,0]=4 447 B9R1.5 CC1CCCNCC1C 73165 [0,1,0,0,0,1|1,0,1]=4 448 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,0,0,1|1,0,0]=3 449 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,0,0,1|1,0,0]=3 450 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,0,0,1|1,0,0]=3 453 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,0,0,1|0,0,0]=2 454 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,0,0,1|0,0,0]=2 455 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,0,0,1|0,0,0]=2 456 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,0,0,1|0,0,0]=2 457 B9R1.5 OC1CCNCCC1F 73002 [0,1,0,0,0,1|0,0,2]=4 458 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,0,0,1|0,0,0]=2 460 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,1,0,0,0,1|0,0,1]=3 461 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,1,0,0,0,1|1,0,1]=4 462 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,1,0,0,0,1|0,0,2]=4 463 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,0,0,1|0,0,0]=2 465 B9R1.89 CCN1CCCCCC1 A11156 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.89 CCN1CCCNCC1 I11453 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,1,0,0,0,1|1,0,1]=4 468 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,1,0,0,0,1|0,0,2]=4 469 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,1,0,0,0,1|0,0,2]=4 470 B9R1.89 N#CC1CCCCCC1 F53544 [0,1,0,0,0,1|1,0,1]=4 471 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,1,0,0,0,1|1,0,1]=4 472 B9R1.89 NNC1CCCCCC1 AB1363 [0,1,0,0,0,1|1,0,1]=4 473 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,1,0,0,0,1|0,0,2]=4 474 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,1,0,0,0,1|0,0,2]=4 475 B9R1.148 CC1(C)CCCNCC1 W15420 [0,1,0,0,0,1|1,0,1]=4 476 B9R1.148 FC1(F)CCCCNC1 73035 [0,1,0,0,0,1|1,0,1]=4 477 B9R1.148 FC1(F)CCCNCC1 37043 [0,1,0,0,0,1|1,0,1]=4 478 B9R1.148 O=S1(=O)CCCNCC1 W16418 [0,1,0,0,0,1|1,0,0]=3 479 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.1 CCN1CCC(N)CC1 W15425 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,2,0,0,0,0|0,0,2]=4 482 B9R1.1 CN1CCC(CBr)CC1 84194 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.1 CN1CCC(NN)CC1 AT19390 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.1 CN1CCN(N=O)CC1 D92907 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,2,0,0,0,0|1,0,1]=4 487 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,2,0,0,0,0|0,0,2]=4 488 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,2,0,0,0,0|0,0,2]=4 489 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,2,0,0,0,0|0,0,2]=4 490 B9R1.1 COC1CCC(N)CC1 26413 [0,2,0,0,0,0|0,0,2]=4 491 B9R1.1 CON1CCC(=O)CC1 92073 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,2,0,0,0,0|0,0,2]=4 493 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,2,0,0,0,0|0,0,2]=4 494 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,2,0,0,0,0|0,0,2]=4 495 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,2,0,0,0,0|0,0,2]=4 496 B9R1.1 N#CC1CCC(N)CC1 F52727 [0,2,0,0,0,0|1,0,1]=4 497 B9R1.1 N#CC1CCC(O)CC1 26849 [0,2,0,0,0,0|0,0,2]=4 498 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 AT13196 [0,2,0,0,0,0|1,0,1]=4 499 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AT13199 [0,2,0,0,0,0|1,0,1]=4 500 B9R1.1 NCC1CCC(=O)CC1 56684 [0,2,0,0,0,0|0,0,0]=2 501 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,2,0,0,0,0|0,0,2]=4 503 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,2,0,0,0,0|0,0,2]=4 504 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,2,0,0,0,0|0,0,2]=4 506 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,2,0,0,0,0|0,0,0]=2 512 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,2,0,0,0,0|0,0,2]=4 513 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,2,0,0,0,0|0,0,2]=4 514 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,2,0,0,0,0|0,0,2]=4 515 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.2 CN1CCC[C@H](CN)C1 37194 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.2 CN1CCC[C@H](CN)C1 P11114 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,2,0,0,0,0|0,0,2]=4 522 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,2,0,0,0,0|0,0,0]=2 523 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,2,0,0,0,0|1,0,0]=3 525 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,2,0,0,0,0|1,0,0]=3 526 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,2,0,0,0,0|0,0,2]=4 527 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,2,0,0,0,0|0,0,0]=2 528 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,2,0,0,0,0|1,0,1]=4 532 B9R1.6 N=C(N)N1CCCCC1 W16161 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.6 NC(=O)C1CCNCC1 C75011 [0,2,0,0,0,0|1,0,1]=4 534 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,2,0,0,0,0|1,0,1]=4 535 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,2,0,0,0,0|1,0,1]=4 536 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,2,0,0,0,0|1,0,1]=4 537 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,2,0,0,0,0|1,0,1]=4 538 B9R1.6 O=C(O)C1CCSCC1 24425 [0,2,0,0,0,0|1,0,1]=4 539 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,2,0,0,0,0|1,0,1]=4 540 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,2,0,0,0,0|1,0,1]=4 541 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,2,0,0,0,0|1,0,1]=4 542 B9R1.6 O=[N+]([O-])C1CCNCC1 P21112 [0,2,0,0,0,0|1,0,1]=4 543 B9R1.8 BrCCN1CCCCC1 O10261 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.8 CNCC1CCCCC1 F20557 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.8 N#C\C=C1/CCCOC1 P17918 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.8 NCCC1CCCCC1 24486 [0,2,0,0,0,0|1,0,1]=4 547 B9R1.8 NCCC1CCCCC1 55664 [0,2,0,0,0,0|1,0,1]=4 548 B9R1.8 O=CCC1CCCCC1 11388 [0,2,0,0,0,0|0,0,1]=3 549 B9R1.15 CC1CCCCC1CN 72191 [0,2,0,0,0,0|1,0,1]=4 550 B9R1.15 CCN1CCNCC1=O W18927 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,2,0,0,0,0|0,0,2]=4 558 B9R1.15 COC1CCCCC1N O10822 [0,2,0,0,0,0|0,0,2]=4 559 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,2,0,0,0,0|0,0,2]=4 560 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,2,0,0,0,0|0,0,2]=4 561 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,2,0,0,0,0|0,0,2]=4 562 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,2,0,0,0,0|0,0,2]=4 563 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.15 N#C[C@H]1CCNCC1=O 58518 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.15 N#C[C@H]1CNCCC1=N AB1357 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,2,0,0,0,0|0,0,2]=4 568 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,2,0,0,0,0|0,0,1]=3 569 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,2,0,0,0,0|0,0,1]=3 570 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,2,0,0,0,0|0,0,2]=4 571 B9R1.118 C#CC1(C)CCCCC1 D82488 [0,2,0,0,0,0|1,0,1]=4 572 B9R1.118 CC1(C=O)CCOCC1 P15595 [0,2,0,0,0,0|1,0,1]=4 573 B9R1.118 CCC1(N)CCCCC1 21224 [0,2,0,0,0,0|1,0,1]=4 574 B9R1.118 NCC1(F)CCCCC1 85745 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.118 O=NC1(Cl)CCCCC1 F15290 [0,2,0,0,0,0|0,0,1]=3 576 B9R1.10 CC1(C)CCC(N)CC1 F12447 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,2,0,0,0,0|0,0,0]=2 579 B9R1.10 CC1(O)CCC(N)CC1 39273 [0,2,0,0,0,0|0,0,2]=4 580 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P14556 [0,2,0,0,0,0|0,0,2]=4 581 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 38877 [0,2,0,0,0,0|0,0,2]=4 582 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 39275 [0,2,0,0,0,0|0,0,2]=4 583 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 P15459 [0,2,0,0,0,0|0,0,2]=4 584 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 39274 [0,2,0,0,0,0|0,0,2]=4 585 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 D95191 [0,2,0,0,0,0|0,0,2]=4 586 B9R1.10 FC1(F)CCC(Br)CC1 P15388 [0,2,0,0,0,0|1,0,1]=4 587 B9R1.10 NC1CCS(=O)(=O)CC1 83363 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.10 NN1CCS(=O)(=O)CC1 T70689 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.10 O=C1C=CC(F)(F)CC1 D79120 [0,2,0,0,0,0|0,0,2]=4 590 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,2,0,0,0,0|0,0,0]=2 592 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,2,0,0,0,0|0,0,0]=2 593 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,2,0,0,0,0|1,0,1]=4 594 B9R1.69 CN1CCC(F)C(N)C1 D97057 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,2,0,0,0,0|1,0,1]=4 598 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,2,0,0,0,0|1,0,1]=4 602 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,2,0,0,0,0|1,0,1]=4 603 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.3 N[C@@H]1[C@@H](O)CCC[C@H]1O W13742 [0,2,0,0,0,0|0,0,2]=4 607 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,2,0,0,0,0|0,0,2]=4 608 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 T70973 [0,2,0,0,0,0|0,0,2]=4 612 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.66 N[C@H]1CCCC(F)(F)C1 36231 [0,2,0,0,0,0|1,0,1]=4 616 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20961 [0,2,0,0,0,0|1,0,1]=4 617 B9R1.66 O=C1CS(=O)(=O)CCN1 AT11986 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.40 CC1(C)CCCNC1=O P19113 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.40 CC1(C)CCCOC1=O 60202 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.40 CC1(C)COCCC1=O P12769 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.40 N[C@H]1CCCCC1(F)F 77892 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.40 O=C1CCNCC1(F)F 38880 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.40 O=C1CCNCC1(F)F P12504 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.40 O=C1NCCCC1(F)F 50284 [0,2,0,0,0,0|1,0,0]=3 625 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,1,1,0,0|1,0,0]=3 626 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,1,1,0,0|1,0,0]=3 627 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,1,1,0,0|1,0,0]=3 628 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,1,1,0,0|1,0,0]=3 629 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,0,1,1,0,0|1,0,0]=3 630 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,0,1,1,0,0|1,0,0]=3 631 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,0,1,1,0,0|2,0,0]=4 632 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,0,1,1,0,0|2,0,0]=4 633 B7R1.18 CC(=O)C1COC1 79962 [0,0,1,1,0,0|1,0,0]=3 634 B7R1.18 C[C@H](N)C1CCC1 93060 [0,0,1,1,0,0|1,0,1]=4 635 B7R1.18 C[C@H](N)C1CCC1 93062 [0,0,1,1,0,0|1,0,1]=4 636 B7R1.18 NC(=O)C1CCC1 20365 [0,0,1,1,0,0|1,0,0]=3 637 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,1,1,0,0|2,0,0]=4 638 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,1,1,0,0|2,0,0]=4 639 B7R1.18 O=C(O)C1COC1 81314 [0,0,1,1,0,0|2,0,0]=4 640 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,1,1,0,0|2,0,0]=4 641 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,1,1,0,0|2,0,0]=4 642 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,0,1,1,0,0|2,0,0]=4 643 B7R1.20 C[C@H](O)CC1CC1 79072 [0,0,1,1,0,0|0,0,2]=4 644 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,0,1,1,0,0|1,0,0]=3 645 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [0,0,1,1,0,0|2,0,0]=4 646 B7R2.13 C1CC2CC2N1 33368 [1,0,0,1,0,0|1,0,0]=3 647 B7R2.13 C1NCC2CC12 80426 [1,0,0,1,0,0|1,0,0]=3 648 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,1,0,1|1,0,1]=4 649 B9R2.6 CC12CCNCC1C2 P18749 [0,0,0,1,0,1|1,0,1]=4 650 B9R2.6 NC12CCCCC1C2 P18959 [0,0,0,1,0,1|1,0,1]=4 651 B9R2.33 CN1C[C@H]2CN[C@H]2C1 P15784 [0,0,0,1,0,1|2,0,0]=4 652 B9R2.33 CN1C[C@H]2CN[C@H]2C1 P15795 [0,0,0,1,0,1|2,0,0]=4 653 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,1,0,1|1,0,1]=4 654 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,1,0,1|1,0,1]=4 655 B9R2.68 C1CC2CNCC1C2 F53590 [0,0,0,1,0,1|1,0,1]=4 656 B9R2.68 C1CC2CNCC1O2 64984 [0,0,0,1,0,1|0,0,2]=4 657 B9R2.68 C1CC2COCC1N2 P12236 [0,0,0,1,0,1|1,0,1]=4 658 B9R2.68 C1CN2CCC(C2)N1 38913 [0,0,0,1,0,1|2,0,0]=4 659 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,1,0,1|0,0,0]=2 660 B9R2.49 C1CC2CCC1CN2 20492 [0,1,0,1,0,0|1,0,1]=4 661 B9R2.49 C1CC2CCC1CN2 38592 [0,1,0,1,0,0|1,0,1]=4 662 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 P18294 [0,1,0,1,0,0|1,0,1]=4 663 B9R2.110 NC12CCC(CC1)C2 W16245 [0,1,0,1,0,0|1,0,1]=4 664 B9R2.8 CN1CC2CC(C1)N2 P17468 [0,1,0,1,0,0|2,0,0]=4 665 B9R2.8 NC1CC2CC(C1)C2 P20288 [0,1,0,1,0,0|1,0,1]=4 666 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,1,0,1,0,0|1,0,1]=4 667 B9R2.39 O=C1CC2CC1CN2 D84847 [0,1,0,1,0,0|1,0,0]=3 668 B9R2.39 O=C1NC2CCC1C2 W18193 [0,1,0,1,0,0|1,0,0]=3 669 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,1,0,1,0,0|1,0,0]=3 670 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,1,0,1,0,0|1,0,0]=3 671 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,1,0,1,0,0|2,0,0]=4 672 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,1,0,1,0,0|0,0,2]=4 673 B5R1.1 C1=CCSC1 F20684 [1,0,0,0,1,0|1,0,1]=4 674 B5R1.1 C1CNNC1 26256 [1,0,0,0,1,0|2,0,0]=4 675 B5R1.1 C1COCN1 A51210 [1,0,0,0,1,0|2,0,0]=4 676 B5R1.2 C=C1COC1 P17999 [0,0,0,0,2,0|2,0,0]=4 677 B5R1.2 ClC1CCC1 T70092 [0,0,0,0,2,0|1,0,1]=4 678 B5R1.2 IC1CCC1 P17114 [0,0,0,0,2,0|1,0,1]=4 679 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,0,0,2|0,0,0]=2 680 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,0,0,2|0,0,0]=2 681 B9R1.50 OC1CNCCCNC1 77719 [0,0,0,0,0,2|0,0,2]=4 682 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,0,0,2|0,0,2]=4 683 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,0,0,0,0,2|0,0,2]=4