0 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 NC1=NCCO1 53947 [0,0,0,0,0,0|2,1,1]=4 9 B6R1.2 NN1CCCC1 F13227 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 NN1CCCC1 S12058 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,0,0,0|4,0,0]=4 13 B5R1.1 C1=CCSC1 F20684 [1,0,0,0,0,0|1,0,1]=3 14 B5R1.1 C1CNNC1 26256 [1,0,0,0,0,0|3,0,0]=4 15 B5R1.1 C1COCN1 A51210 [1,0,0,0,0,0|1,1,0]=3 16 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 COC1=CCCC1 D93350 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,1,0,0,0,0|1,1,1]=4 33 B7R1.1 NCC1CCCC1 P10292 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,0,0,0|1,1,0]=3 36 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,0,0,0|1,1,0]=3 37 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.1 NOC1CCCC1 97655 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,0,0,0|1,1,0]=3 43 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.4 CC1CNCC1C P18713 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.4 NC1CCCC1N F16273 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.1 CCC[C@H](C)N P14575 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.1 CCC[C@H](C)N Y10887 [0,0,1,0,0,0|2,0,0]=3 104 B5R0.1 CNC[C@H](C)O AC1157 [0,0,1,0,0,0|2,1,0]=4 105 B5R0.1 CNC[C@H](C)O N12528 [0,0,1,0,0,0|2,1,0]=4 106 B5R0.1 COC[C@H](C)Br 78860 [0,0,1,0,0,0|3,0,0]=4 107 B5R0.1 COC[C@H](C)N 25526 [0,0,1,0,0,0|3,0,0]=4 108 B5R0.1 COC[C@H](C)N D95458 [0,0,1,0,0,0|3,0,0]=4 109 B5R0.1 COC[C@H](C)N W17998 [0,0,1,0,0,0|3,0,0]=4 110 B5R0.1 C[C@H](O)CCN 83616 [0,0,1,0,0,0|2,1,0]=4 111 B5R0.2 C#CCOCC C90311 [0,0,1,0,0,0|1,1,1]=4 112 B5R0.2 CCCCON 31644 [0,0,1,0,0,0|3,0,0]=4 113 B5R0.2 CNOCCN D97505 [0,0,1,0,0,0|2,1,0]=4 114 B5R0.2 COCCCO D77912 [0,0,1,0,0,0|2,1,0]=4 115 B5R0.2 NCCCCCl F19552 [0,0,1,0,0,0|3,0,0]=4 116 B5R0.3 CC[C@H](C)CN 88665 [0,0,1,0,0,0|3,0,0]=4 117 B5R0.3 CN[C@@H](C)CO AC8719 [0,0,1,0,0,0|3,0,0]=4 118 B5R0.3 CN[C@@H](C)CO C77593 [0,0,1,0,0,0|3,0,0]=4 119 B5R0.3 CN[C@@H](C)CO D80042 [0,0,1,0,0,0|3,0,0]=4 120 B5R0.3 CN[C@@H](C)CO D80344 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.3 CN[C@@H](C)CO D82586 [0,0,1,0,0,0|3,0,0]=4 122 B5R0.3 COC(=S)SC Y14680 [0,0,1,0,0,0|1,1,1]=4 123 B5R0.3 CO[C@@H](C)CN 91001 [0,0,1,0,0,0|2,1,0]=4 124 B5R0.3 CO[C@@H](C)CO 91002 [0,0,1,0,0,0|2,1,0]=4 125 B7R2.11 C1NC2CC1C2 37897 [0,0,0,1,0,0|2,0,0]=3 126 B7R2.13 C1CC2CC2N1 33368 [0,0,0,1,0,0|2,0,0]=3 127 B7R2.13 C1NCC2CC12 80426 [0,0,0,1,0,0|3,0,0]=4 128 B5R1.2 C[C@H]1CCN1 98100 [0,0,0,0,1,0|1,0,0]=2 129 B5R1.2 C[C@H]1CCN1 P21034 [0,0,0,0,1,0|1,0,0]=2 130 B5R1.2 ClC1CCC1 T70092 [0,0,0,0,1,0|2,0,0]=3 131 B5R1.2 ClC1CNC1 37968 [0,0,0,0,1,0|3,0,0]=4 132 B5R1.2 ClC1COC1 CS1986 [0,0,0,0,1,0|3,0,0]=4 133 B5R1.2 FC1CNC1 SC2901 [0,0,0,0,1,0|3,0,0]=4 134 B5R1.2 IC1CCC1 P17114 [0,0,0,0,1,0|2,0,0]=3 135 B5R1.2 NC1CSC1 39038 [0,0,0,0,1,0|3,0,0]=4 136 B5R1.2 SC1CNC1 38596 [0,0,0,0,1,0|3,0,0]=4 137 B5R1.2 SC1COC1 32902 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,0,0,1|2,0,1]=4 139 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,0,0,1|2,0,0]=3 140 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,0,0,1|2,0,0]=3 141 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,0,0,1|1,1,0]=3 142 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,0,0,1|1,1,0]=3 143 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,0,0,1|1,1,0]=3 144 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,0,0,1|1,1,0]=3 145 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,0,0,1|1,1,0]=3 146 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,0,0,1|3,0,0]=4 147 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,0,0,1|3,0,0]=4 148 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,0,0,1|3,0,0]=4 149 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,0,0,1|3,0,0]=4 150 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,0,0,1|2,1,0]=4 151 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,0,0,1|2,0,1]=4 152 B7R1.3 O=C1CSCCN1 23643 [0,0,0,0,0,1|2,0,1]=4 153 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,0,0,1|2,1,0]=4 154 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,0,0,1|2,1,0]=4 155 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,0,0,1|2,1,0]=4 156 B7R1.3 SC1CCNCC1 39018 [0,0,0,0,0,1|3,0,0]=4 157 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,0,0,1|3,0,0]=4 158 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,0,0,1|3,0,0]=4 159 B4R0.1 CC(C)CBr P19652 [1,0,1,0,0,0|2,0,0]=4 160 B4R0.1 CC[C@H](C)N 74047 [1,0,1,0,0,0|1,0,0]=3 161 B4R0.1 C[C@H](Br)CN F11189 [1,0,1,0,0,0|2,0,0]=4 162 B4R0.1 C[C@H](Br)CO W17591 [1,0,1,0,0,0|2,0,0]=4 163 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,1,0,0,0|2,0,0]=4 164 B4R0.1 C[C@H](N)CF AC1136 [1,0,1,0,0,0|2,0,0]=4 165 B4R0.1 C[C@H](N)CF AC6177 [1,0,1,0,0,0|2,0,0]=4 166 B4R0.2 BrCCCBr D77913 [1,0,1,0,0,0|2,0,0]=4 167 B4R0.2 CCCCN T70838 [1,0,1,0,0,0|1,0,0]=3 168 B4R0.2 CCONC AT14498 [1,0,1,0,0,0|1,1,0]=4 169 B4R0.2 COCCI A50601 [1,0,1,0,0,0|1,1,0]=4 170 B4R0.2 CSCCN D73275 [1,0,1,0,0,0|1,0,0]=3 171 B4R0.2 NCCCF 61303 [1,0,1,0,0,0|2,0,0]=4 172 B4R0.2 NCCCN T70045 [1,0,1,0,0,0|2,0,0]=4 173 B4R0.2 NCCCS A11074 [1,0,1,0,0,0|1,0,0]=3 174 B4R0.2 OCCCO D77845 [1,0,1,0,0,0|1,1,0]=4 175 B4R0.2 OCCCS D78398 [1,0,1,0,0,0|1,0,0]=3 176 B4R0.2 SCCCBr 77989 [1,0,1,0,0,0|1,0,0]=3 177 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.1 CCC[C@H](N)CO C13482 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,1,0,0,0|0,2,0]=4 180 B6R0.1 CC[C@H](S)CCO D84734 [0,1,1,0,0,0|2,0,0]=4 181 B6R0.2 CC(Br)CC(C)Br T70499 [0,1,1,0,0,0|2,0,0]=4 182 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,1,0,0,0|1,1,0]=4 183 B6R0.4 CC(C)OCCBr 33996 [0,1,1,0,0,0|1,1,0]=4 184 B6R0.4 CC(C)OCCN T71353 [0,1,1,0,0,0|1,1,0]=4 185 B6R0.4 CCOC[C@H](C)N 75202 [0,1,1,0,0,0|1,1,0]=4 186 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,1,0,0,0|2,0,0]=4 187 B6R0.6 BrCCNCCBr 35649 [0,1,1,0,0,0|2,0,0]=4 188 B6R0.6 CCOCCCBr A11082 [0,1,1,0,0,0|1,1,0]=4 189 B6R0.6 CCOCCON W15834 [0,1,1,0,0,0|0,2,0]=4 190 B6R0.6 CC\C=C/CCI 98107 [0,1,1,0,0,0|2,0,0]=4 191 B6R0.6 CNCCCCBr C74879 [0,1,1,0,0,0|2,0,0]=4 192 B6R0.6 CNCCCCN D80538 [0,1,1,0,0,0|2,0,0]=4 193 B6R0.6 ClCCOCCI 12079 [0,1,1,0,0,0|1,1,0]=4 194 B6R0.6 NCCCCCBr 97997 [0,1,1,0,0,0|2,0,0]=4 195 B6R0.6 NCCNCCN D81398 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.6 OCCCCCO D77911 [0,1,1,0,0,0|1,1,0]=4 197 B6R0.6 OCCOCCF AT25497 [0,1,1,0,0,0|0,2,0]=4 198 B6R0.9 C\N=C(/NC)SC 66736 [0,1,1,0,0,0|1,0,1]=4 199 B6R1.4 CC1NCC1F P20228 [0,1,0,0,1,0|1,0,0]=3 200 B6R1.4 CC1OCC1O P16543 [0,1,0,0,1,0|0,1,0]=3 201 B6R1.4 C[C@@H]1OCC1=O P16003 [0,1,0,0,1,0|0,1,1]=4 202 B6R1.4 C[C@H]1CCC1=O W18267 [0,1,0,0,1,0|1,0,0]=3 203 B6R1.4 C[C@H]1CNC1=O P20594 [0,1,0,0,1,0|2,0,0]=4 204 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,1,0,0,1,0|1,0,0]=3 205 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,1,0,0,1,0|1,0,0]=3 206 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,1,0,0,1,0|1,0,0]=3 207 B6R1.4 NC1CCC1F P20418 [0,1,0,0,1,0|2,0,0]=4 208 B6R1.4 NC1CCC1O 94999 [0,1,0,0,1,0|2,0,0]=4 209 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,1,0,0,1,0|2,0,0]=4 210 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,1,0,0,1,0|2,0,0]=4 211 B6R1.4 OC1CCC1O D79179 [0,1,0,0,1,0|2,0,0]=4 212 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,1,0,0,1,0|2,0,0]=4 213 B6R1.5 CC1CC(=O)C1 P12177 [0,1,0,0,1,0|1,0,1]=4 214 B6R1.5 CC1CC(N)C1 72358 [0,1,0,0,1,0|1,0,0]=3 215 B6R1.5 CN1CC(Cl)C1 P18477 [0,1,0,0,1,0|2,0,0]=4 216 B6R1.5 CN1CC(N)C1 37022 [0,1,0,0,1,0|2,0,0]=4 217 B6R1.5 CN1CC(O)C1 37023 [0,1,0,0,1,0|2,0,0]=4 218 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,1,0,0,1,0|0,1,1]=4 219 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,1,0,0,1,0|1,0,0]=3 220 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,1,0,0,1,0|1,0,0]=3 221 B6R1.5 NC1CC(F)C1 80871 [0,1,0,0,1,0|2,0,0]=4 222 B6R1.5 NC1CC(N)C1 38579 [0,1,0,0,1,0|2,0,0]=4 223 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [0,1,0,0,1,0|2,0,0]=4 224 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [0,1,0,0,1,0|2,0,0]=4 225 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [0,1,0,0,1,0|2,0,0]=4 226 B6R1.5 OC1CC(F)C1 80872 [0,1,0,0,1,0|2,0,0]=4 227 B6R1.5 OC1CC(O)C1 P18335 [0,1,0,0,1,0|2,0,0]=4 228 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [0,1,0,0,1,0|2,0,0]=4 229 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [0,1,0,0,1,0|2,0,0]=4 230 B6R1.6 BrC[C@H]1CCO1 28585 [0,1,0,0,1,0|0,1,0]=3 231 B6R1.6 BrC[C@H]1CCO1 D97141 [0,1,0,0,1,0|0,1,0]=3 232 B6R1.6 BrC[C@H]1CCO1 P21121 [0,1,0,0,1,0|0,1,0]=3 233 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,1,0,0,1,0|0,1,1]=4 234 B6R1.6 CNC1CCC1 20929 [0,1,0,0,1,0|1,0,0]=3 235 B6R1.6 CSC1CNC1 37205 [0,1,0,0,1,0|2,0,0]=4 236 B6R1.6 FCC1CNC1 86811 [0,1,0,0,1,0|2,0,0]=4 237 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,1,0,0,1,0|1,0,1]=4 238 B6R1.6 NCC1CNC1 26899 [0,1,0,0,1,0|2,0,0]=4 239 B6R1.6 NC[C@H]1CCN1 20184 [0,1,0,0,1,0|1,0,0]=3 240 B6R1.6 NC[C@H]1CCO1 P20441 [0,1,0,0,1,0|0,1,0]=3 241 B6R1.6 NNC1CCC1 AB1362 [0,1,0,0,1,0|2,0,0]=4 242 B6R1.6 NNC1CCC1 BL010353 [0,1,0,0,1,0|2,0,0]=4 243 B6R1.6 OCC1CNC1 65945 [0,1,0,0,1,0|2,0,0]=4 244 B6R1.6 OC[C@H]1CCN1 36269 [0,1,0,0,1,0|1,0,0]=3 245 B6R1.6 OC[C@H]1CCN1 38353 [0,1,0,0,1,0|1,0,0]=3 246 B6R1.6 OC[C@H]1CCN1 38354 [0,1,0,0,1,0|1,0,0]=3 247 B6R1.6 OC[C@H]1CCO1 26540 [0,1,0,0,1,0|0,1,0]=3 248 B6R1.6 OC[C@H]1CCO1 AT10832 [0,1,0,0,1,0|0,1,0]=3 249 B6R1.6 OC[C@H]1CCO1 P19736 [0,1,0,0,1,0|0,1,0]=3 250 B6R1.10 CC1(F)CNC1 88058 [0,1,0,0,1,0|2,0,0]=4 251 B6R1.10 CC1(N)CCC1 P10590 [0,1,0,0,1,0|1,0,0]=3 252 B6R1.10 CC1(N)CCC1 P10892 [0,1,0,0,1,0|1,0,0]=3 253 B6R1.10 CC1(N)COC1 52948 [0,1,0,0,1,0|2,0,0]=4 254 B6R1.10 CC1(N)CSC1 P16047 [0,1,0,0,1,0|2,0,0]=4 255 B6R1.10 CC1(O)CCC1 83777 [0,1,0,0,1,0|1,0,0]=3 256 B6R1.10 CC1(O)CNC1 54439 [0,1,0,0,1,0|2,0,0]=4 257 B6R1.10 CC1(O)CSC1 P15377 [0,1,0,0,1,0|2,0,0]=4 258 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,0,0,1|1,1,0]=4 260 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,0,0,1|1,1,0]=4 265 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,0,0,1|1,1,0]=4 266 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,0,0,1|2,0,0]=4 269 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,0,0,1|2,0,0]=4 273 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,0,0,1|1,1,0]=4 275 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,0,0,1|1,1,0]=4 276 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,0,0,1|1,1,0]=4 279 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,0,0,1|0,2,0]=4 280 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,0,0,1|0,2,0]=4 281 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,0,0,1|1,1,0]=4 285 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,0,0,1|1,1,0]=4 288 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,0,0,1|1,1,0]=4 289 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,0,0,1|1,1,0]=4 290 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,0,0,1|1,1,0]=4 291 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,0,0,1|1,1,0]=4 292 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,0,0,1|0,2,0]=4 293 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,0,0,1|0,2,0]=4 294 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,0,0,1|2,0,0]=4 297 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,0,0,1|1,1,0]=4 299 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,0,0,1|1,1,0]=4 300 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,0,0,1|1,1,0]=4 301 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,0,0,1|2,0,0]=4 303 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,0,0,1|1,1,0]=4 304 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,0,0,1|1,1,0]=4 306 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,0,0,1|1,1,0]=4 312 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,0,0,1|2,0,0]=4 315 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,0,0,1|1,1,0]=4 320 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,0,0,1|1,1,0]=4 321 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,0,0,1|1,1,0]=4 322 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,0,0,1|1,1,0]=4 323 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,0,0,1|1,1,0]=4 324 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,0,0,1|1,1,0]=4 325 B8R1.5 CC1CCNCC1O 38882 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.5 CC1CNCCC1O 20765 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.5 CC1CNCCC1O 33365 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.5 CC1COCCC1N 33469 [0,1,0,0,0,1|1,1,0]=4 329 B8R1.5 CC1NCCOC1C F12405 [0,1,0,0,0,1|1,1,0]=4 330 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,0,0,1|1,1,0]=4 333 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,0,0,1|1,1,0]=4 334 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,0,0,1|1,1,0]=4 337 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,0,0,1|1,1,0]=4 343 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,0,0,1|1,1,0]=4 344 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,0,0,1|1,0,0]=3 345 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,0,0,1|1,1,0]=4 348 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.1 COC1CCC(N)C1 33463 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.1 COC1CCC(O)C1 P19125 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,2,0,0,0,0|1,1,0]=4 361 B8R1.1 NCC1CCC(F)C1 72980 [0,2,0,0,0,0|2,0,0]=4 362 B8R1.1 NCC1CCC(O)C1 72949 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,2,0,0,0,0|2,0,0]=4 364 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,2,0,0,0,0|2,0,0]=4 371 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,2,0,0,0,0|2,0,0]=4 372 B8R1.8 BrCCC1CCCC1 C78009 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,2,0,0,0,0|2,0,0]=4 374 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,2,0,0,0,0|2,0,0]=4 375 B8R1.8 COC[C@H]1CCCN1 11152 [0,2,0,0,0,0|2,0,0]=4 376 B8R1.8 COC[C@H]1CCCN1 11153 [0,2,0,0,0,0|2,0,0]=4 377 B8R1.8 COC[C@H]1CCCN1 71289 [0,2,0,0,0,0|2,0,0]=4 378 B8R1.8 ClCCC1CCCC1 AC1057 [0,2,0,0,0,0|2,0,0]=4 379 B8R1.8 NCCC1OCCO1 T71082 [0,2,0,0,0,0|0,2,0]=4 380 B8R1.8 NNCC1CCCC1 P11240 [0,2,0,0,0,0|2,0,0]=4 381 B8R1.8 O=CCC1CCCC1 F11683 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.8 OCCC1OCCO1 W16263 [0,2,0,0,0,0|0,2,0]=4 383 B8R1.8 OCC[C@H]1CCCN1 50275 [0,2,0,0,0,0|2,0,0]=4 384 B8R1.8 OCC[C@H]1CCCN1 62964 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,2,0,0,0,0|2,0,0]=4 386 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,2,0,0,0,0|2,0,0]=4 387 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,2,0,0,0,0|2,0,0]=4 388 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,2,0,0,0,0|2,0,0]=4 389 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.11 NCC1CCCC1N F20645 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,2,0,0,0,0|2,0,0]=4 393 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,2,0,0,0,0|2,0,0]=4 394 B8R1.52 CC1(C=O)CCCC1 90941 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.52 CC1(CN)CCCC1 72592 [0,2,0,0,0,0|2,0,0]=4 396 B8R1.52 CC1(CO)CCCC1 90940 [0,2,0,0,0,0|2,0,0]=4 397 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,2,0,0,0,0|1,1,0]=4 398 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.52 NCC1(O)CCCC1 37961 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,2,0,0,0,0|2,0,0]=4 402 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.19 CC1(C)OCCC1=O P18857 [0,2,0,0,0,0|1,1,0]=4 404 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,2,0,0,0,0|2,0,0]=4 405 B6R1.11 C[C@H](N)C1CC1 N10509 [0,0,1,1,0,0|2,0,0]=4 406 B6R1.11 C[C@H](N)C1CC1 W12229 [0,0,1,1,0,0|2,0,0]=4 407 B6R1.11 C[C@H](O)C1CC1 C77522 [0,0,1,1,0,0|1,1,0]=4 408 B6R1.11 C[C@H](O)C1CC1 C77523 [0,0,1,1,0,0|1,1,0]=4 409 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,1,0,1|2,0,0]=4 410 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,1,0,1|2,0,0]=4 411 B8R2.25 C1CNC2CC2N1 P18856 [0,0,0,1,0,1|2,0,0]=4 412 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [0,0,0,1,0,1|2,0,0]=4 413 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,1,0,1|2,0,0]=4 414 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,1,0,1|2,0,0]=4 415 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,1,0,1|2,0,0]=4 416 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,1,0,1|1,1,0]=4 417 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,1,0,1|1,1,0]=4 418 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,1,0,1|1,1,0]=4 419 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,1,0,1|1,1,0]=4 420 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,1,0,1|1,1,0]=4 421 B8R2.22 C1CC2CNC2C1 D78832 [0,1,0,1,0,0|2,0,0]=4 422 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,1,0,1,0,0|2,0,0]=4 423 B4R1.1 C1CNC1 52818 [1,0,0,0,1,0|1,0,0]=3 424 B4R1.2 C[C@H]1CN1 68557 [0,0,0,0,2,0|1,0,0]=3 425 B4R1.2 IC1CC1 AC5127 [0,0,0,0,2,0|1,0,0]=3 426 B8R1.22 CC1CNCCNC1 70848 [0,0,0,0,0,2|2,0,0]=4 427 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,0,0,2|2,0,0]=4 428 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,0,0,2|2,0,0]=4 429 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,0,0,2|2,0,0]=4 430 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,0,0,2|2,0,0]=4 431 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,0,0,0,2|2,0,0]=4 432 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,0,0,2|1,1,0]=4 433 B8R1.22 C[C@H]1CNCCOC1 73160 [0,0,0,0,0,2|1,1,0]=4