0 B6R1.1 C1CCNNC1 71659 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CCCNC1 D97153 [0,1,0,0,0,0|1,0,1]=3 2 B7R1.3 BrC1=CCOCC1 C90119 [0,1,0,0,0,0|2,0,1]=4 3 B7R1.3 C=C1CCNCC1 88914 [0,1,0,0,0,0|1,0,0]=2 4 B7R1.3 C=C1CCOCC1 84295 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 FC1=CCNCC1 P20375 [0,1,0,0,0,0|1,0,1]=3 14 B7R1.3 F[C@H]1CCCNC1 37161 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 F[C@H]1CCCNC1 37162 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 NC1=NCCCN1 AC1271 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.3 N[C@H]1CCCNC1 C72133 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.3 O=C1C=CCCN1 88830 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.3 O=C1CCCCS1 D95162 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.3 O=C1CNCCO1 RB3226 [0,1,0,0,0,0|1,0,1]=3 23 B7R1.3 O=C1CSCCN1 23643 [0,1,0,0,0,0|1,0,1]=3 24 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.3 O[C@@H]1CNCCO1 26254 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.3 SC1CCNCC1 39018 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.2 C#CCCCN 72839 [0,0,1,0,0,0|1,0,2]=4 32 B5R0.2 C#CCOCC C90311 [0,0,1,0,0,0|2,0,1]=4 33 B5R0.2 C=CCCNC W16107 [0,0,1,0,0,0|1,0,1]=3 34 B5R0.2 CCCCON 31644 [0,0,1,0,0,0|2,0,0]=3 35 B5R0.2 CNOCCN D97505 [0,0,1,0,0,0|2,0,0]=3 36 B5R0.2 COCCCO D77912 [0,0,1,0,0,0|3,0,0]=4 37 B5R0.2 NCCCCCl F19552 [0,0,1,0,0,0|2,0,0]=3 38 B5R0.2 NC\C=C\CN E70437 [0,0,1,0,0,0|2,0,1]=4 39 B5R0.2 NNCCCO AB9423 [0,0,1,0,0,0|3,0,0]=4 40 B7R2.13 C1CC2CC2N1 33368 [0,0,0,1,0,0|1,0,0]=2 41 B7R2.13 C1NCC2CC12 80426 [0,0,0,1,0,0|1,0,0]=2 42 B5R1.1 C1=CCSC1 F20684 [0,0,0,0,1,0|1,0,2]=4 43 B5R1.1 C1CNNC1 26256 [0,0,0,0,1,0|1,0,0]=2 44 B5R1.1 C1COCN1 A51210 [0,0,0,0,1,0|1,0,0]=2 45 B7R1.24 C1CNCCOC1 80062 [0,0,0,0,0,1|1,0,0]=2 46 B4R0.2 BrCCCBr D77913 [1,0,1,0,0,0|2,0,0]=4 47 B4R0.2 C#CCCN 31177 [1,0,1,0,0,0|0,0,2]=4 48 B4R0.2 C#CCCN 68194 [1,0,1,0,0,0|0,0,2]=4 49 B4R0.2 CCCCN T70838 [1,0,1,0,0,0|0,0,0]=2 50 B4R0.2 CCONC AT14498 [1,0,1,0,0,0|1,0,0]=3 51 B4R0.2 COCCI A50601 [1,0,1,0,0,0|2,0,0]=4 52 B4R0.2 CSCCN D73275 [1,0,1,0,0,0|1,0,0]=3 53 B4R0.2 NCCCF 61303 [1,0,1,0,0,0|1,0,0]=3 54 B4R0.2 NCCCN T70045 [1,0,1,0,0,0|1,0,0]=3 55 B4R0.2 NCCCS A11074 [1,0,1,0,0,0|1,0,0]=3 56 B4R0.2 OCCCO D77845 [1,0,1,0,0,0|2,0,0]=4 57 B4R0.2 OCCCS D78398 [1,0,1,0,0,0|2,0,0]=4 58 B4R0.2 SCCCBr 77989 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,1,0,0,0|2,0,0]=4 60 B6R0.1 CCC[C@H](N)CO C13482 [0,1,1,0,0,0|2,0,0]=4 61 B6R0.1 CCNC(=O)CO 79517 [0,1,1,0,0,0|1,0,1]=4 62 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,1,0,0,0|2,0,0]=4 63 B6R0.1 CC[C@H](S)CCO D84734 [0,1,1,0,0,0|2,0,0]=4 64 B6R0.1 CNC(=O)CCN C75423 [0,1,1,0,0,0|2,0,0]=4 65 B6R0.1 COC[C@@H](O)CN 94767 [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 NCC[C@H](O)CO F51073 [0,1,1,0,0,0|2,0,0]=4 67 B6R0.4 CC(=O)OCCN W11955 [0,1,1,0,0,0|1,0,1]=4 68 B6R0.4 CC(C)OCCBr 33996 [0,1,1,0,0,0|2,0,0]=4 69 B6R0.4 CC(C)OCCN T71353 [0,1,1,0,0,0|1,0,0]=3 70 B6R0.4 CCOC[C@H](C)N 75202 [0,1,1,0,0,0|1,0,0]=3 71 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,1,0,0,0|2,0,0]=4 72 B6R0.6 BrCCNCCBr 35649 [0,1,1,0,0,0|1,0,0]=3 73 B6R0.6 C#CCCCCN 79352 [0,1,1,0,0,0|1,0,1]=4 74 B6R0.6 C=CCNCCO W12833 [0,1,1,0,0,0|1,0,1]=4 75 B6R0.6 CCOCCCBr A11082 [0,1,1,0,0,0|2,0,0]=4 76 B6R0.6 CCOCCON W15834 [0,1,1,0,0,0|1,0,0]=3 77 B6R0.6 CC\C=C/CCI 98107 [0,1,1,0,0,0|2,0,0]=4 78 B6R0.6 CNCC#CCO 68302 [0,1,1,0,0,0|1,0,1]=4 79 B6R0.6 CNCCCCBr C74879 [0,1,1,0,0,0|1,0,0]=3 80 B6R0.6 CNCCCCN D80538 [0,1,1,0,0,0|1,0,0]=3 81 B6R0.6 ClCCOCCI 12079 [0,1,1,0,0,0|2,0,0]=4 82 B6R0.6 NCCCCCBr 97997 [0,1,1,0,0,0|1,0,0]=3 83 B6R0.6 NCCNCCN D81398 [0,1,1,0,0,0|0,0,0]=2 84 B6R0.6 O=NCNCCO D93315 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.6 OCCCCCO D77911 [0,1,1,0,0,0|2,0,0]=4 86 B6R0.6 OCCOCCF AT25497 [0,1,1,0,0,0|2,0,0]=4 87 B6R1.2 C=C1CCNC1 F13598 [0,1,0,0,1,0|0,0,1]=3 88 B6R1.2 C[C@H]1CCNC1 69327 [0,1,0,0,1,0|0,0,0]=2 89 B6R1.2 C[C@H]1CCSC1 70016 [0,1,0,0,1,0|1,0,0]=3 90 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,1,0,0,1,0|0,0,0]=2 91 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,1,0,0,1,0|1,0,0]=3 92 B6R1.2 F[C@H]1CCNC1 P10396 [0,1,0,0,1,0|0,0,0]=2 93 B6R1.2 F[C@H]1CCNC1 P10397 [0,1,0,0,1,0|0,0,0]=2 94 B6R1.2 I[C@H]1CCOC1 37310 [0,1,0,0,1,0|1,0,0]=3 95 B6R1.2 I[C@H]1CCOC1 37311 [0,1,0,0,1,0|1,0,0]=3 96 B6R1.2 NN1CCCC1 F13227 [0,1,0,0,1,0|0,0,0]=2 97 B6R1.2 NN1CCCC1 S12058 [0,1,0,0,1,0|0,0,0]=2 98 B6R1.2 N[C@H]1CCSC1 70834 [0,1,0,0,1,0|1,0,0]=3 99 B6R1.2 O=C1CNCN1 25530 [0,1,0,0,1,0|0,0,1]=3 100 B6R1.2 O[C@H]1CCSC1 50208 [0,1,0,0,1,0|1,0,0]=3 101 B6R1.2 O[C@H]1CNOC1 31712 [0,1,0,0,1,0|1,0,0]=3 102 B8R1.22 BrC1CCCCCC1 F53566 [0,1,0,0,0,1|2,0,0]=4 103 B8R1.22 CC1CNCCNC1 70848 [0,1,0,0,0,1|0,0,0]=2 104 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,0,0,1|1,0,0]=3 105 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,0,0,1|1,0,0]=3 106 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,0,0,1|1,0,0]=3 107 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,0,0,1|1,0,0]=3 108 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,0,0,1|0,0,0]=2 109 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,0,0,1|1,0,0]=3 110 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,0,0,1|1,0,0]=3 111 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,0,0,1|1,0,1]=4 112 B8R1.22 N[C@H]1CCCNCC1 36658 [0,1,0,0,0,1|1,0,0]=3 113 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,1,0,0,0,1|1,0,0]=3 114 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,0,0,1|1,0,0]=3 115 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,0,0,1|1,0,0]=3 116 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,0,0,1|2,0,0]=4 117 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,0,0,1|0,0,0]=2 118 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,0,0,1|0,0,0]=2 119 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,0,0,1|1,0,0]=3 120 B8R1.22 O=C1COCCCN1 71169 [0,1,0,0,0,1|1,0,1]=4 121 B8R1.22 OC1CNCCNC1 77717 [0,1,0,0,0,1|0,0,0]=2 122 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,2,0,0,0,0|2,0,0]=4 124 B8R1.2 C#CC1CCNCC1 P12507 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.2 C#CC1CCOCC1 37550 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.2 CCC1CCNCC1 W10090 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.2 CC[C@H]1CNCCN1 28366 [0,2,0,0,0,0|0,0,0]=2 132 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,2,0,0,0,0|0,0,0]=2 133 B8R1.2 CC[C@H]1COCCN1 F17630 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.2 CNC1CCNCC1 Y10435 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.2 CNC1CCSCC1 D93432 [0,2,0,0,0,0|2,0,0]=4 137 B8R1.2 ClCC1CCNCC1 P17439 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.2 ClCC1CCOCC1 C77585 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.2 FCC1CCNCC1 F10330 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.2 FC[C@H]1CCCNC1 24250 [0,2,0,0,0,0|1,0,0]=3 142 B8R1.2 ICC1CCCCC1 AC1131 [0,2,0,0,0,0|2,0,0]=4 143 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.2 N#CC1CCSCC1 29706 [0,2,0,0,0,0|2,0,0]=4 146 B8R1.2 N#CN1CCCCC1 A12086 [0,2,0,0,0,0|1,0,0]=3 147 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,2,0,0,0,0|1,0,0]=3 153 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,2,0,0,0,0|1,0,0]=3 154 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,2,0,0,0,0|1,0,0]=3 155 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,2,0,0,0,0|1,0,0]=3 156 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,2,0,0,0,0|1,0,0]=3 157 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,2,0,0,0,0|1,0,0]=3 158 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,2,0,0,0,0|1,0,0]=3 159 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,2,0,0,0,0|1,0,0]=3 160 B8R1.2 NCC1CCSCC1 P11855 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.2 NCC1CCSCC1 P17457 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.2 NC[C@H]1COCCO1 39092 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.2 NC[C@H]1COCCO1 39093 [0,2,0,0,0,0|2,0,0]=4 165 B8R1.2 NNC1CCNCC1 BL010349 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.2 NNC1CCOCC1 F51905 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.2 NNC1CCSCC1 BL010348 [0,2,0,0,0,0|2,0,0]=4 168 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.2 O=CN1CCCCC1 D77795 [0,2,0,0,0,0|1,0,0]=3 170 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,2,0,0,0,0|1,0,0]=3 171 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,2,0,0,0,0|2,0,0]=4 172 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,2,0,0,0,0|2,0,0]=4 173 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,2,0,0,0,0|2,0,0]=4 174 B8R1.2 O=NN1CCOCC1 T72681 [0,2,0,0,0,0|1,0,0]=3 175 B8R1.2 OC[C@H]1CCCNC1 36372 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,2,0,0,0,0|1,0,0]=3 177 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,2,0,0,0,0|1,0,0]=3 178 B8R1.2 OC[C@H]1CCCOC1 38674 [0,2,0,0,0,0|2,0,0]=4 179 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,2,0,0,0,0|0,0,0]=2 180 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,2,0,0,0,0|0,0,0]=2 181 B8R1.2 OC[C@H]1CNCCO1 25692 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.2 OC[C@H]1COCCN1 25689 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.2 OC[C@H]1COCCN1 26203 [0,2,0,0,0,0|1,0,0]=3 185 B8R1.2 OC[C@H]1COCCN1 P15853 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,2,0,0,0,0|2,0,0]=4 187 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,2,0,0,0,0|2,0,0]=4 188 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,2,0,0,0,0|2,0,0]=4 189 B8R1.3 CC1CCC(O)CC1 D73186 [0,2,0,0,0,0|2,0,0]=4 190 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,2,0,0,0,0|1,0,1]=4 191 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,2,0,0,0,0|1,0,1]=4 192 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,2,0,0,0,0|2,0,0]=4 193 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,2,0,0,0,0|0,0,1]=3 194 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,2,0,0,0,0|0,0,1]=3 195 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,2,0,0,0,0|0,0,1]=3 196 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,2,0,0,0,0|1,0,1]=4 197 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,2,0,0,0,0|0,0,0]=2 198 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,2,0,0,0,0|0,0,0]=2 199 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,2,0,0,0,0|1,0,0]=3 200 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,2,0,0,0,0|2,0,0]=4 201 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,2,0,0,0,0|2,0,0]=4 202 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,2,0,0,0,0|1,0,1]=4 203 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,2,0,0,0,0|1,0,1]=4 204 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,2,0,0,0,0|1,0,1]=4 205 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,2,0,0,0,0|2,0,0]=4 206 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.3 O=C1CCC(F)CC1 23163 [0,2,0,0,0,0|2,0,0]=4 208 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,2,0,0,0,0|1,0,1]=4 209 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,2,0,0,0,0|1,0,1]=4 210 B8R1.3 OC1CCC(F)CC1 P13200 [0,2,0,0,0,0|2,0,0]=4 211 B8R1.4 CC1CC(N)CCO1 D78849 [0,2,0,0,0,0|2,0,0]=4 212 B8R1.4 CC1CC(N)CCO1 P16002 [0,2,0,0,0,0|2,0,0]=4 213 B8R1.4 CC1CC(O)CCN1 33466 [0,2,0,0,0,0|1,0,0]=3 214 B8R1.4 CC1CC(O)CCN1 P17258 [0,2,0,0,0,0|1,0,0]=3 215 B8R1.4 CC1CNCC(C)O1 F18860 [0,2,0,0,0,0|1,0,0]=3 216 B8R1.4 CC1CNCC(O)C1 AC5056 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.4 CC1COCC(C)N1 P10582 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.4 CN1CCCC(=O)C1 S10664 [0,2,0,0,0,0|1,0,1]=4 219 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,2,0,0,0,0|1,0,0]=3 222 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,2,0,0,0,0|1,0,0]=3 223 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,2,0,0,0,0|2,0,0]=4 224 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,2,0,0,0,0|1,0,0]=3 225 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,2,0,0,0,0|1,0,0]=3 226 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,2,0,0,0,0|1,0,0]=3 227 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,2,0,0,0,0|1,0,0]=3 228 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,2,0,0,0,0|2,0,0]=4 229 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,2,0,0,0,0|1,0,1]=4 230 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,2,0,0,0,0|0,0,0]=2 231 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,2,0,0,0,0|0,0,0]=2 232 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,2,0,0,0,0|0,0,0]=2 233 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,2,0,0,0,0|0,0,0]=2 234 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,2,0,0,0,0|0,0,0]=2 235 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,2,0,0,0,0|0,0,1]=3 236 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,2,0,0,0,0|0,0,1]=3 237 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,2,0,0,0,0|0,0,1]=3 238 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,2,0,0,0,0|0,0,0]=2 239 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,2,0,0,0,0|1,0,0]=3 244 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,2,0,0,0,0|1,0,0]=3 246 B8R1.4 NC1COCC(O)C1 91463 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,2,0,0,0,0|2,0,0]=4 248 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,2,0,0,0,0|2,0,0]=4 251 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,2,0,0,0,0|2,0,0]=4 252 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,2,0,0,0,0|2,0,0]=4 253 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,2,0,0,0,0|2,0,0]=4 254 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,2,0,0,0,0|1,0,1]=4 258 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,2,0,0,0,0|1,0,1]=4 259 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,2,0,0,0,0|2,0,0]=4 260 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,2,0,0,0,0|2,0,0]=4 261 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,2,0,0,0,0|2,0,0]=4 262 B8R1.5 CC1CCNCC1O 38882 [0,2,0,0,0,0|1,0,0]=3 263 B8R1.5 CC1CNCCC1O 20765 [0,2,0,0,0,0|1,0,0]=3 264 B8R1.5 CC1CNCCC1O 33365 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.5 CC1COCCC1N 33469 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.5 CC1NCCOC1C F12405 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,2,0,0,0,0|1,0,1]=4 271 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.5 C[C@H]1CNCCN1C 37822 [0,2,0,0,0,0|0,0,0]=2 275 B8R1.5 C[C@H]1CNCCN1C P11245 [0,2,0,0,0,0|0,0,0]=2 276 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,2,0,0,0,0|0,0,0]=2 277 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.5 C[C@H]1COCCC1=O 27832 [0,2,0,0,0,0|2,0,0]=4 279 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,2,0,0,0,0|2,0,0]=4 281 B8R1.5 NC1CCOCC1O P16839 [0,2,0,0,0,0|2,0,0]=4 282 B8R1.5 NN1CCCCC1=O C74639 [0,2,0,0,0,0|1,0,1]=4 283 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,2,0,0,0,0|2,0,0]=4 289 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,2,0,0,0,0|1,0,1]=4 294 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,2,0,0,0,0|1,0,1]=4 295 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,2,0,0,0,0|1,0,1]=4 304 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,2,0,0,0,0|1,0,1]=4 305 B8R1.5 OC1CCOCC1F P14713 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,2,0,0,0,0|1,0,0]=3 308 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,2,0,0,0,0|1,0,0]=3 312 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.72 CC1(Br)CCCCC1 P19508 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.72 CC1(C)CNCCO1 20348 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.72 CC1(F)CCNCC1 72921 [0,2,0,0,0,0|1,0,0]=3 320 B8R1.72 CC1(N)CCNCC1 F30991 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.72 CC1(N)CCOCC1 P16590 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.72 CC1(O)CCOCC1 69121 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.72 CC1(O)CCSCC1 C74963 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,2,0,0,0,0|1,0,0]=3 326 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,2,0,0,0,0|1,0,1]=4 328 B8R1.72 C[Si]1(C)CCNCC1 P12584 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.72 FC1(F)CCNCC1 32752 [0,2,0,0,0,0|1,0,0]=3 330 B6R1.3 BrCCC1CC1 32177 [0,0,1,1,0,0|2,0,0]=4 331 B6R1.3 CNCC1CC1 P11100 [0,0,1,1,0,0|1,0,0]=3 332 B6R1.3 ICCC1CC1 73383 [0,0,1,1,0,0|2,0,0]=4 333 B6R1.3 NNCC1CC1 P11241 [0,0,1,1,0,0|2,0,0]=4 334 B6R1.3 NOCC1CC1 59190 [0,0,1,1,0,0|2,0,0]=4 335 B6R1.4 CC1NCC1F P20228 [0,0,1,1,0,0|1,0,0]=3 336 B6R1.4 CC1OCC1O P16543 [0,0,1,1,0,0|2,0,0]=4 337 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,1,1,0,0|1,0,0]=3 338 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,0,1,1,0,0|1,0,0]=3 339 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,0,1,1,0,0|1,0,0]=3 340 B6R1.4 NC1CCC1F P20418 [0,0,1,1,0,0|2,0,0]=4 341 B6R1.4 NC1CCC1O 94999 [0,0,1,1,0,0|2,0,0]=4 342 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,0,1,1,0,0|2,0,0]=4 343 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,1,1,0,0|2,0,0]=4 344 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,1,1,0,0|2,0,0]=4 345 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,1,1,0,0|2,0,0]=4 346 B6R1.6 CNC1CCC1 20929 [0,0,1,1,0,0|1,0,0]=3 347 B6R1.6 CSC1CNC1 37205 [0,0,1,1,0,0|1,0,0]=3 348 B6R1.6 FCC1CNC1 86811 [0,0,1,1,0,0|2,0,0]=4 349 B6R1.6 N#CC1CNC1 CS1269 [0,0,1,1,0,0|2,0,0]=4 350 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,0,1,1,0,0|0,0,2]=4 351 B6R1.6 NCC1CNC1 26899 [0,0,1,1,0,0|2,0,0]=4 352 B6R1.6 NC[C@H]1CCN1 20184 [0,0,1,1,0,0|0,0,0]=2 353 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,1,1,0,0|1,0,0]=3 354 B6R1.6 NNC1CCC1 AB1362 [0,0,1,1,0,0|2,0,0]=4 355 B6R1.6 NNC1CCC1 BL010353 [0,0,1,1,0,0|2,0,0]=4 356 B6R1.6 NNC1CNC1 BL010350 [0,0,1,1,0,0|1,0,0]=3 357 B6R1.6 NNC1COC1 BL010351 [0,0,1,1,0,0|2,0,0]=4 358 B6R1.6 NNC1CSC1 BL010352 [0,0,1,1,0,0|2,0,0]=4 359 B6R1.6 OCC1CNC1 65945 [0,0,1,1,0,0|2,0,0]=4 360 B6R1.6 OC[C@H]1CCN1 36269 [0,0,1,1,0,0|1,0,0]=3 361 B6R1.6 OC[C@H]1CCN1 38353 [0,0,1,1,0,0|1,0,0]=3 362 B6R1.6 OC[C@H]1CCN1 38354 [0,0,1,1,0,0|1,0,0]=3 363 B6R1.6 OC[C@H]1CCO1 26540 [0,0,1,1,0,0|2,0,0]=4 364 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,1,1,0,0|2,0,0]=4 365 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,1,1,0,0|2,0,0]=4 366 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,1,1,0,0|2,0,0]=4 367 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,1,0,1|1,0,0]=3 368 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,1,0,1|1,0,0]=3 369 B8R2.25 C1CNC2CC2N1 P18856 [0,0,0,1,0,1|0,0,0]=2 370 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,1,0,1,0,0|2,0,0]=4 371 B8R2.18 O=C1CC2CC2C1 W10830 [0,1,0,1,0,0|2,0,0]=4 372 B8R2.23 C1NCC2CC1N2 F18876 [0,1,0,1,0,0|0,0,0]=2 373 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [0,1,0,1,0,0|1,0,1]=4 374 B8R2.34 C1CC2CC1CN2 D73537 [0,1,0,1,0,0|1,0,0]=3 375 B8R2.34 C1CC2CC1CN2 P10332 [0,1,0,1,0,0|1,0,0]=3 376 B8R2.34 C1CC2CCC1C2 F16610 [0,1,0,1,0,0|2,0,0]=4 377 B8R2.34 C1CC2CCC1N2 39142 [0,1,0,1,0,0|2,0,0]=4 378 B8R2.34 C1OC2CNC1C2 CS1881 [0,1,0,1,0,0|1,0,0]=3 379 B8R2.34 C1OC2CNC1C2 SC1961 [0,1,0,1,0,0|1,0,0]=3 380 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,1,0,1,0,0|1,0,0]=3 381 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,1,0,1,0,0|1,0,0]=3 382 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,1,0,1,0,0|1,0,0]=3 383 B8R2.38 O=C1CCC2CC12 P19135 [0,1,0,1,0,0|2,0,0]=4 384 B4R1.1 C1CNC1 52818 [0,0,0,0,2,0|0,0,0]=2 385 B8R1.49 C1=CCCC=CCC1 A11943 [0,0,0,0,0,2|2,0,0]=4 386 B8R1.49 C1=CCCC=CCC1 C10709 [0,0,0,0,0,2|2,0,0]=4 387 B8R1.49 C1=CCCC=CCC1 D94664 [0,0,0,0,0,2|2,0,0]=4 388 B8R1.49 C1=CCCC=CCC1 F16608 [0,0,0,0,0,2|2,0,0]=4 389 B8R1.49 C1=CCCC=CCC1 F16639 [0,0,0,0,0,2|2,0,0]=4 390 B8R1.49 C1=CCCC=CCC1 H10532 [0,0,0,0,0,2|2,0,0]=4 391 B8R1.49 C1=CCCC=CCC1 O11699 [0,0,0,0,0,2|2,0,0]=4 392 B8R1.49 C1=CCCC=CCC1 S12179 [0,0,0,0,0,2|2,0,0]=4 393 B8R1.49 C1=CCCC=CCC1 T72889 [0,0,0,0,0,2|2,0,0]=4