0 B5R1.1 C1=CCSC1 F20684 [0,0,0,0,0,0|1,0,2]=3 1 B5R1.1 C1CNNC1 26256 [0,0,0,0,0,0|1,0,0]=1 2 B5R1.1 C1COCN1 A51210 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.2 C=C1CCNC1 F13598 [0,1,0,0,0,0|0,0,1]=2 4 B6R1.2 C[C@H]1CCNC1 69327 [0,1,0,0,0,0|0,0,0]=1 5 B6R1.2 C[C@H]1CCSC1 70016 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 F[C@H]1CCNC1 P10396 [0,1,0,0,0,0|0,0,0]=1 9 B6R1.2 F[C@H]1CCNC1 P10397 [0,1,0,0,0,0|0,0,0]=1 10 B6R1.2 IC1=COCC1 P19286 [0,1,0,0,0,0|1,0,2]=4 11 B6R1.2 I[C@H]1CCOC1 37310 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 I[C@H]1CCOC1 37311 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 NC1=NCCO1 53947 [0,1,0,0,0,0|1,0,2]=4 14 B6R1.2 NN1CCCC1 F13227 [0,1,0,0,0,0|0,0,0]=1 15 B6R1.2 NN1CCCC1 S12058 [0,1,0,0,0,0|0,0,0]=1 16 B6R1.2 N[C@H]1CCSC1 70834 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 O=C1C=CCN1 AC1277 [0,1,0,0,0,0|0,0,3]=4 18 B6R1.2 O=C1CNCN1 25530 [0,1,0,0,0,0|1,0,1]=3 19 B6R1.2 O[C@H]1CCSC1 50208 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 O[C@H]1CNOC1 31712 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.2 BrCCCBr D77913 [0,0,1,0,0,0|2,0,0]=3 22 B4R0.2 BrCOCBr AC2225 [0,0,1,0,0,0|3,0,0]=4 23 B4R0.2 C#CCCCl C77663 [0,0,1,0,0,0|1,0,2]=4 24 B4R0.2 C#CCCI AC1965 [0,0,1,0,0,0|1,0,2]=4 25 B4R0.2 C#CCCN 31177 [0,0,1,0,0,0|0,0,2]=3 26 B4R0.2 C#CCCN 68194 [0,0,1,0,0,0|0,0,2]=3 27 B4R0.2 C=CCNN D79874 [0,0,1,0,0,0|1,0,2]=4 28 B4R0.2 CCCCN T70838 [0,0,1,0,0,0|0,0,0]=1 29 B4R0.2 CCONC AT14498 [0,0,1,0,0,0|1,0,0]=2 30 B4R0.2 COCCI A50601 [0,0,1,0,0,0|2,0,0]=3 31 B4R0.2 CSCCN D73275 [0,0,1,0,0,0|1,0,0]=2 32 B4R0.2 NCCCF 61303 [0,0,1,0,0,0|1,0,0]=2 33 B4R0.2 NCCCN T70045 [0,0,1,0,0,0|1,0,0]=2 34 B4R0.2 NCCCS A11074 [0,0,1,0,0,0|1,0,0]=2 35 B4R0.2 OCCCO D77845 [0,0,1,0,0,0|2,0,0]=3 36 B4R0.2 OCCCS D78398 [0,0,1,0,0,0|2,0,0]=3 37 B4R0.2 SCCCBr 77989 [0,0,1,0,0,0|2,0,0]=3 38 B4R1.1 C1CNC1 52818 [0,0,0,0,1,0|0,0,0]=1 39 B6R1.1 C1CCNNC1 71659 [0,0,0,0,0,1|0,0,0]=1 40 B3R0.1 CCNN D79778 [1,0,1,0,0,0|1,0,0]=3 41 B3R0.1 CCON C13232 [1,0,1,0,0,0|1,0,0]=3 42 B3R0.1 C[Se][Se]C H10908 [1,0,1,0,0,0|2,0,0]=4 43 B3R0.1 ClCCI T71139 [1,0,1,0,0,0|2,0,0]=4 44 B3R0.1 NCCN A12036 [1,0,1,0,0,0|1,0,0]=3 45 B3R0.1 NCCN T72722 [1,0,1,0,0,0|1,0,0]=3 46 B5R0.1 C=C(C)CON F31248 [0,1,1,0,0,0|1,0,1]=4 47 B5R0.1 C=CC[C@H](C)O 71459 [0,1,1,0,0,0|1,0,1]=4 48 B5R0.1 C=CC[C@H](C)O A12634 [0,1,1,0,0,0|1,0,1]=4 49 B5R0.1 CCC[C@H](C)N P14575 [0,1,1,0,0,0|0,0,0]=2 50 B5R0.1 CCC[C@H](C)N Y10887 [0,1,1,0,0,0|0,0,0]=2 51 B5R0.1 CCOC(N)=S A11227 [0,1,1,0,0,0|1,0,1]=4 52 B5R0.1 CN(C)CC=O D88083 [0,1,1,0,0,0|1,0,1]=4 53 B5R0.1 CN(C)CCO D93012 [0,1,1,0,0,0|1,0,0]=3 54 B5R0.1 CNCC(=O)[O-] F20742 [0,1,1,0,0,0|1,0,1]=4 55 B5R0.1 CNCC(F)F D86102 [0,1,1,0,0,0|1,0,0]=3 56 B5R0.1 CNC[C@H](C)O AC1157 [0,1,1,0,0,0|0,0,0]=2 57 B5R0.1 CNC[C@H](C)O N12528 [0,1,1,0,0,0|0,0,0]=2 58 B5R0.1 COC[C@H](C)Br 78860 [0,1,1,0,0,0|1,0,0]=3 59 B5R0.1 COC[C@H](C)N 25526 [0,1,1,0,0,0|1,0,0]=3 60 B5R0.1 COC[C@H](C)N D95458 [0,1,1,0,0,0|1,0,0]=3 61 B5R0.1 COC[C@H](C)N W17998 [0,1,1,0,0,0|1,0,0]=3 62 B5R0.1 C[C@H](N)CC#N 12486 [0,1,1,0,0,0|0,0,2]=4 63 B5R0.1 C[C@H](O)CC#N 87623 [0,1,1,0,0,0|0,0,2]=4 64 B5R0.1 C[C@H](O)CCN 83616 [0,1,1,0,0,0|0,0,0]=2 65 B5R0.1 C[C@H](O)CON O10313 [0,1,1,0,0,0|1,0,0]=3 66 B5R0.1 C[S+](C)CCCl 77752 [0,1,1,0,0,0|2,0,0]=4 67 B5R0.1 NCCC(F)F D77085 [0,1,1,0,0,0|1,0,0]=3 68 B5R0.1 OCCC(F)F P18054 [0,1,1,0,0,0|2,0,0]=4 69 B5R0.2 C#CCCCI C78094 [0,1,1,0,0,0|1,0,1]=4 70 B5R0.2 C#CCCCN 72839 [0,1,1,0,0,0|0,0,1]=3 71 B5R0.2 C#CCOCC C90311 [0,1,1,0,0,0|1,0,1]=4 72 B5R0.2 C=CCCNC W16107 [0,1,1,0,0,0|0,0,1]=3 73 B5R0.2 CCCCON 31644 [0,1,1,0,0,0|0,0,0]=2 74 B5R0.2 CNOCCN D97505 [0,1,1,0,0,0|1,0,0]=3 75 B5R0.2 COCCCO D77912 [0,1,1,0,0,0|1,0,0]=3 76 B5R0.2 NCCCCCl F19552 [0,1,1,0,0,0|0,0,0]=2 77 B5R0.2 NC\C=C\CN E70437 [0,1,1,0,0,0|0,0,2]=4 78 B5R0.2 NNCCCO AB9423 [0,1,1,0,0,0|1,0,0]=3 79 B5R0.2 O=CCCCO 55817 [0,1,1,0,0,0|1,0,1]=4 80 B5R0.3 CCC(=O)CN S11993 [0,1,1,0,0,0|0,0,1]=3 81 B5R0.3 CC[C@H](C)CN 88665 [0,1,1,0,0,0|0,0,0]=2 82 B5R0.3 CC[C@H](N)C#N 98383 [0,1,1,0,0,0|0,0,2]=4 83 B5R0.3 CC[PH](=O)CC C77650 [0,1,1,0,0,0|0,1,0]=3 84 B5R0.3 CN[C@@H](C)CO AC8719 [0,1,1,0,0,0|1,0,0]=3 85 B5R0.3 CN[C@@H](C)CO C77593 [0,1,1,0,0,0|1,0,0]=3 86 B5R0.3 CN[C@@H](C)CO D80042 [0,1,1,0,0,0|1,0,0]=3 87 B5R0.3 CN[C@@H](C)CO D80344 [0,1,1,0,0,0|1,0,0]=3 88 B5R0.3 CN[C@@H](C)CO D82586 [0,1,1,0,0,0|1,0,0]=3 89 B5R0.3 CO[C@@H](C)CN 91001 [0,1,1,0,0,0|1,0,0]=3 90 B5R0.3 CO[C@@H](C)CO 91002 [0,1,1,0,0,0|2,0,0]=4 91 B5R0.3 C[C@@H](CN)CCl 72948 [0,1,1,0,0,0|1,0,0]=3 92 B5R0.3 C[C@@H](CO)CBr AB3182 [0,1,1,0,0,0|2,0,0]=4 93 B5R0.3 FCC(I)CF AC4509 [0,1,1,0,0,0|2,0,0]=4 94 B5R0.3 NC[C@H](Br)CBr AC1488 [0,1,1,0,0,0|1,0,0]=3 95 B5R0.3 NC[C@H](F)CO 94841 [0,1,1,0,0,0|1,0,0]=3 96 B5R0.3 NC[C@H](F)CO 94845 [0,1,1,0,0,0|1,0,0]=3 97 B5R0.3 NC[C@H](F)CO 94846 [0,1,1,0,0,0|1,0,0]=3 98 B5R0.3 NC[C@H](O)CCl C10413 [0,1,1,0,0,0|1,0,0]=3 99 B5R0.3 NC[C@H](O)CF 94771 [0,1,1,0,0,0|1,0,0]=3 100 B5R0.3 OC[C@H](O)CF 65949 [0,1,1,0,0,0|2,0,0]=4 101 B5R0.3 OC[C@H](O)CF F14582 [0,1,1,0,0,0|2,0,0]=4 102 B5R1.2 C=C1COC1 P17999 [0,1,0,0,1,0|1,0,1]=4 103 B5R1.2 C[C@H]1CCN1 98100 [0,1,0,0,1,0|0,0,0]=2 104 B5R1.2 C[C@H]1CCN1 P21034 [0,1,0,0,1,0|0,0,0]=2 105 B5R1.2 ClC1CCC1 T70092 [0,1,0,0,1,0|0,0,0]=2 106 B5R1.2 ClC1CNC1 37968 [0,1,0,0,1,0|0,0,0]=2 107 B5R1.2 ClC1COC1 CS1986 [0,1,0,0,1,0|1,0,0]=3 108 B5R1.2 FC1CNC1 SC2901 [0,1,0,0,1,0|0,0,0]=2 109 B5R1.2 IC1CCC1 P17114 [0,1,0,0,1,0|0,0,0]=2 110 B5R1.2 NC1CSC1 39038 [0,1,0,0,1,0|1,0,0]=3 111 B5R1.2 SC1CNC1 38596 [0,1,0,0,1,0|0,0,0]=2 112 B5R1.2 SC1COC1 32902 [0,1,0,0,1,0|1,0,0]=3 113 B7R1.3 BrC1=CCCNC1 D97153 [0,1,0,0,0,1|0,0,1]=3 114 B7R1.3 BrC1=CCOCC1 C90119 [0,1,0,0,0,1|1,0,1]=4 115 B7R1.3 C=C1CCNCC1 88914 [0,1,0,0,0,1|0,0,0]=2 116 B7R1.3 C=C1CCOCC1 84295 [0,1,0,0,0,1|1,0,0]=3 117 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,0,0,1|0,0,1]=3 118 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,0,0,1|0,0,0]=2 119 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,0,0,1|0,0,0]=2 120 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,0,0,1|0,0,0]=2 121 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,0,0,1|0,0,0]=2 122 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,0,0,1|0,0,0]=2 123 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,0,0,1|0,0,0]=2 124 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,0,0,1|0,0,0]=2 125 B7R1.3 FC1=CCNCC1 P20375 [0,1,0,0,0,1|0,0,1]=3 126 B7R1.3 F[C@H]1CCCNC1 37161 [0,1,0,0,0,1|0,0,0]=2 127 B7R1.3 F[C@H]1CCCNC1 37162 [0,1,0,0,0,1|0,0,0]=2 128 B7R1.3 NC1=NCCCN1 AC1271 [0,1,0,0,0,1|0,0,1]=3 129 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,1,0,0,0,1|1,0,0]=3 130 B7R1.3 N[C@H]1CCCNC1 C72133 [0,1,0,0,0,1|0,0,0]=2 131 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,0,0,1|1,0,0]=3 132 B7R1.3 O=C1C=CCCN1 88830 [0,1,0,0,0,1|0,0,2]=4 133 B7R1.3 O=C1CCCCS1 D95162 [0,1,0,0,0,1|1,0,0]=3 134 B7R1.3 O=C1CNCCO1 RB3226 [0,1,0,0,0,1|0,0,1]=3 135 B7R1.3 O=C1CSCCN1 23643 [0,1,0,0,0,1|0,0,1]=3 136 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,1,0,0,0,1|0,0,1]=3 137 B7R1.3 O[C@@H]1CNCCO1 26254 [0,1,0,0,0,1|0,0,0]=2 138 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,0,0,1|1,0,0]=3 139 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,0,0,1|1,0,0]=3 140 B7R1.3 SC1CCNCC1 39018 [0,1,0,0,0,1|0,0,0]=2 141 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,0,0,1|1,0,0]=3 142 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,0,0,1|0,0,0]=2 143 B7R1.1 BrCC1=CCCC1 37275 [0,2,0,0,0,0|1,0,1]=4 144 B7R1.1 BrC[C@H]1CCOC1 84096 [0,2,0,0,0,0|1,0,0]=3 145 B7R1.1 C=CC1CCCC1 T72385 [0,2,0,0,0,0|1,0,0]=3 146 B7R1.1 CC[C@H]1CCCN1 F16886 [0,2,0,0,0,0|0,0,0]=2 147 B7R1.1 CC[C@H]1CCNC1 P14869 [0,2,0,0,0,0|0,0,0]=2 148 B7R1.1 CN[C@H]1CCOC1 P18534 [0,2,0,0,0,0|1,0,0]=3 149 B7R1.1 CN[C@H]1CCOC1 P18535 [0,2,0,0,0,0|1,0,0]=3 150 B7R1.1 COC1=CCCC1 D93350 [0,2,0,0,0,0|1,0,1]=4 151 B7R1.1 CO[C@H]1CCNC1 26935 [0,2,0,0,0,0|0,0,0]=2 152 B7R1.1 CO[C@H]1CCNC1 P10862 [0,2,0,0,0,0|0,0,0]=2 153 B7R1.1 FC[C@H]1CCCN1 37688 [0,2,0,0,0,0|0,0,0]=2 154 B7R1.1 FC[C@H]1CCCN1 P11073 [0,2,0,0,0,0|0,0,0]=2 155 B7R1.1 FC[C@H]1CCNC1 P18731 [0,2,0,0,0,0|0,0,0]=2 156 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,2,0,0,0,0|0,0,0]=2 157 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,2,0,0,0,0|0,0,0]=2 158 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,2,0,0,0,0|0,0,0]=2 159 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,2,0,0,0,0|1,0,0]=3 160 B7R1.1 N#C[C@@H]1CSCN1 68265 [0,2,0,0,0,0|1,0,0]=3 161 B7R1.1 N#C[C@H]1CCNC1 81493 [0,2,0,0,0,0|0,0,0]=2 162 B7R1.1 N#C[C@H]1CCNC1 81538 [0,2,0,0,0,0|0,0,0]=2 163 B7R1.1 N#C[C@H]1CCNC1 82703 [0,2,0,0,0,0|0,0,0]=2 164 B7R1.1 N#C[C@H]1CCOC1 39230 [0,2,0,0,0,0|1,0,0]=3 165 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,2,0,0,0,0|1,0,0]=3 166 B7R1.1 NCC1CCCC1 P10292 [0,2,0,0,0,0|1,0,0]=3 167 B7R1.1 NC[C@H]1CCCN1 83159 [0,2,0,0,0,0|0,0,0]=2 168 B7R1.1 NC[C@H]1CCCO1 83007 [0,2,0,0,0,0|1,0,0]=3 169 B7R1.1 NC[C@H]1CCCO1 S11127 [0,2,0,0,0,0|1,0,0]=3 170 B7R1.1 NC[C@H]1CCOC1 37316 [0,2,0,0,0,0|1,0,0]=3 171 B7R1.1 NC[C@H]1CCOC1 68891 [0,2,0,0,0,0|1,0,0]=3 172 B7R1.1 NC[C@H]1CCOC1 P12031 [0,2,0,0,0,0|1,0,0]=3 173 B7R1.1 NNC1CCCC1 BL010355 [0,2,0,0,0,0|1,0,0]=3 174 B7R1.1 NOC1CCCC1 97655 [0,2,0,0,0,0|1,0,0]=3 175 B7R1.1 O=CC1=CCCC1 26227 [0,2,0,0,0,0|1,0,1]=4 176 B7R1.1 OC[C@H]1CCCO1 66575 [0,2,0,0,0,0|1,0,0]=3 177 B7R1.1 OC[C@H]1CCNC1 24481 [0,2,0,0,0,0|0,0,0]=2 178 B7R1.1 OC[C@H]1CCNC1 29239 [0,2,0,0,0,0|0,0,0]=2 179 B7R1.1 OC[C@H]1CCNC1 30959 [0,2,0,0,0,0|0,0,0]=2 180 B7R1.1 OC[C@H]1CCOC1 37313 [0,2,0,0,0,0|1,0,0]=3 181 B7R1.1 OC[C@H]1CCOC1 37314 [0,2,0,0,0,0|1,0,0]=3 182 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,2,0,0,0,0|1,0,0]=3 183 B7R1.2 CN1CCC(=O)C1 64220 [0,2,0,0,0,0|0,0,1]=3 184 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,2,0,0,0,0|0,0,0]=2 185 B7R1.2 CN1CC[C@H](N)C1 51282 [0,2,0,0,0,0|0,0,0]=2 186 B7R1.2 CN1CC[C@H](N)C1 51289 [0,2,0,0,0,0|0,0,0]=2 187 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,2,0,0,0,0|0,0,0]=2 188 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,2,0,0,0,0|0,0,1]=3 189 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,2,0,0,0,0|0,0,0]=2 190 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,2,0,0,0,0|0,0,1]=3 191 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,2,0,0,0,0|0,0,1]=3 192 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,2,0,0,0,0|0,0,0]=2 193 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,2,0,0,0,0|0,0,0]=2 194 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,2,0,0,0,0|1,0,1]=4 195 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,2,0,0,0,0|1,0,1]=4 196 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,2,0,0,0,0|1,0,1]=4 197 B7R1.2 NC1CCC(N)C1 D79385 [0,2,0,0,0,0|1,0,0]=3 198 B7R1.2 NC1CCC(O)C1 21055 [0,2,0,0,0,0|1,0,0]=3 199 B7R1.2 NC1CCC(O)C1 26425 [0,2,0,0,0,0|1,0,0]=3 200 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,2,0,0,0,0|1,0,0]=3 201 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,2,0,0,0,0|1,0,0]=3 202 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,2,0,0,0,0|1,0,0]=3 203 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,2,0,0,0,0|1,0,0]=3 204 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,2,0,0,0,0|1,0,0]=3 205 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,2,0,0,0,0|1,0,0]=3 206 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,2,0,0,0,0|1,0,0]=3 207 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,2,0,0,0,0|1,0,0]=3 208 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,2,0,0,0,0|0,0,1]=3 209 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,2,0,0,0,0|0,0,1]=3 210 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,2,0,0,0,0|1,0,1]=4 211 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,2,0,0,0,0|1,0,1]=4 212 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,2,0,0,0,0|1,0,0]=3 213 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,2,0,0,0,0|1,0,0]=3 214 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,2,0,0,0,0|1,0,0]=3 215 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,2,0,0,0,0|1,0,0]=3 216 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,2,0,0,0,0|1,0,0]=3 217 B7R1.2 O=C1CNC(=O)C1 76756 [0,2,0,0,0,0|0,0,2]=4 218 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,2,0,0,0,0|1,0,1]=4 219 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,2,0,0,0,0|1,0,1]=4 220 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,2,0,0,0,0|1,0,0]=3 221 B7R1.4 BrC1=C(Br)CCC1 79351 [0,2,0,0,0,0|1,0,1]=4 222 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,2,0,0,0,0|1,0,0]=3 223 B7R1.4 CC1CNCC1C P18713 [0,2,0,0,0,0|0,0,0]=2 224 B7R1.4 CN1CCN=C1N W16176 [0,2,0,0,0,0|1,0,1]=4 225 B7R1.4 CN1CCNC1=O 81682 [0,2,0,0,0,0|1,0,1]=4 226 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,2,0,0,0,0|1,0,0]=3 227 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,2,0,0,0,0|1,0,0]=3 228 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,2,0,0,0,0|0,0,0]=2 229 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,2,0,0,0,0|0,0,0]=2 230 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,2,0,0,0,0|0,0,0]=2 231 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,2,0,0,0,0|1,0,0]=3 232 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,2,0,0,0,0|0,0,0]=2 233 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,2,0,0,0,0|1,0,0]=3 234 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,2,0,0,0,0|1,0,0]=3 235 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,2,0,0,0,0|0,0,0]=2 236 B7R1.4 NC1CCCC1N F16273 [0,2,0,0,0,0|1,0,0]=3 237 B7R1.4 NC1COCC1O O11159 [0,2,0,0,0,0|1,0,0]=3 238 B7R1.4 NN1CCOC1=O S10190 [0,2,0,0,0,0|1,0,1]=4 239 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,2,0,0,0,0|1,0,0]=3 240 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,2,0,0,0,0|1,0,0]=3 241 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,2,0,0,0,0|1,0,0]=3 242 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,2,0,0,0,0|1,0,0]=3 243 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,2,0,0,0,0|1,0,0]=3 244 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,2,0,0,0,0|1,0,0]=3 245 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,2,0,0,0,0|1,0,0]=3 246 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,2,0,0,0,0|1,0,0]=3 247 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,2,0,0,0,0|1,0,0]=3 248 B7R1.4 N[C@H]1CCNC1=O 51276 [0,2,0,0,0,0|0,0,1]=3 249 B7R1.4 N[C@H]1CCNC1=O 51277 [0,2,0,0,0,0|0,0,1]=3 250 B7R1.4 N[C@H]1CCNC1=O 51278 [0,2,0,0,0,0|0,0,1]=3 251 B7R1.4 N[C@H]1CCNC1=O F14678 [0,2,0,0,0,0|0,0,1]=3 252 B7R1.4 N[C@H]1CCSC1=O O10218 [0,2,0,0,0,0|1,0,1]=4 253 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,2,0,0,0,0|0,0,0]=2 254 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,2,0,0,0,0|1,0,0]=3 255 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,2,0,0,0,0|1,0,0]=3 256 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,2,0,0,0,0|1,0,0]=3 257 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,2,0,0,0,0|1,0,0]=3 258 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,2,0,0,0,0|1,0,0]=3 259 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,2,0,0,0,0|1,0,0]=3 260 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.4 N[C@H]1CONC1=O FD3007 [0,2,0,0,0,0|1,0,1]=4 262 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,2,0,0,0,0|0,0,1]=3 263 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,2,0,0,0,0|1,0,1]=4 264 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,2,0,0,0,0|0,0,0]=2 265 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,2,0,0,0,0|1,0,1]=4 266 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,2,0,0,0,0|0,0,0]=2 267 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,2,0,0,0,0|0,0,0]=2 268 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,2,0,0,0,0|0,0,0]=2 269 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,2,0,0,0,0|0,0,0]=2 270 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,2,0,0,0,0|1,0,0]=3 271 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,2,0,0,0,0|1,0,0]=3 272 B7R1.14 CC1(Br)CCCC1 P19649 [0,2,0,0,0,0|1,0,0]=3 273 B7R1.14 CC1(C)CCCN1 71736 [0,2,0,0,0,0|0,0,0]=2 274 B7R1.14 CC1(C)CCCN1 71895 [0,2,0,0,0,0|0,0,0]=2 275 B7R1.14 CC1(C)CCNC1 28371 [0,2,0,0,0,0|0,0,0]=2 276 B7R1.14 CC1(C)COCN1 FD10630 [0,2,0,0,0,0|1,0,0]=3 277 B7R1.14 CC1(N)CCCC1 90423 [0,2,0,0,0,0|1,0,0]=3 278 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,2,0,0,0,0|0,0,0]=2 279 B7R1.14 C[C@]1(N)CCOC1 38927 [0,2,0,0,0,0|1,0,0]=3 280 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,2,0,0,0,0|0,0,0]=2 281 B7R1.14 C[C@]1(O)CCOC1 69114 [0,2,0,0,0,0|1,0,0]=3 282 B7R1.14 O=S1(=O)CCCO1 D77717 [0,2,0,0,0,0|2,0,0]=4 283 B7R1.14 O=S1(=O)NCCN1 77815 [0,2,0,0,0,0|2,0,0]=4 284 B5R1.3 ICC1CC1 P19124 [0,0,1,1,0,0|1,0,0]=3 285 B5R1.3 NNC1CC1 26649 [0,0,1,1,0,0|1,0,0]=3 286 B5R1.3 NNC1CC1 BL010354 [0,0,1,1,0,0|1,0,0]=3 287 B5R1.4 CC1CC1N 72192 [0,0,1,1,0,0|0,0,0]=2 288 B5R1.4 CC1CC1N 72742 [0,0,1,1,0,0|0,0,0]=2 289 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [0,0,1,1,0,0|1,0,0]=3 290 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [0,0,1,1,0,0|1,0,0]=3 291 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [0,0,1,1,0,0|1,0,0]=3 292 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [0,0,1,1,0,0|1,0,0]=3 293 B5R1.4 N[C@H]1C[C@@H]1N P18270 [0,0,1,1,0,0|1,0,0]=3 294 B7R2.13 C1CC2CC2N1 33368 [0,0,0,1,0,1|0,0,0]=2 295 B7R2.13 C1NCC2CC12 80426 [0,0,0,1,0,1|0,0,0]=2 296 B7R2.11 C1NC2CC1C2 37897 [0,1,0,1,0,0|0,0,0]=2 297 B7R1.24 C1CNCCOC1 80062 [0,0,0,0,0,2|0,0,0]=2