0 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 C=C1CCNCC1 33821 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,0,0,0|0,0,0]=0 6 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 NN1CCNCC1 I10257 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.3 NN1CCNCC1 P19252 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.1 C1CCNCC1 S11730 [1,0,0,0,0,0|0,0,0]=1 21 B6R1.1 C1CCONC1 P10408 [1,0,0,0,0,0|1,0,0]=2 22 B6R1.1 C1CNCOC1 C72764 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.2 BrCC1CCNCC1 30601 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 CC[C@H]1COCCN1 F19074 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.2 CNC1CCCCC1 S12279 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.2 CNC1CCNCC1 63132 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.2 CNC1CCSCC1 AT10410 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,0,0,0|1,0,1]=3 31 B8R1.2 CSC1CCNCC1 32247 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.2 CSC1CCNCC1 P10626 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 ClCN1CCOCC1 C11093 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.2 ClC[C@H]1CNCCO1 F13328 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.2 ICC1CCNCC1 AC3914 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.2 N#C[C@@H]1CNCCN1 C14364 [0,1,0,0,0,0|1,0,1]=3 37 B8R1.2 N#C[C@@H]1CNCCN1 C15176 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.2 N#C[C@@H]1CNCCO1 F18992 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 N#C[C@@H]1CNCCO1 F19038 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 N#C[C@H]1CCCOC1 94853 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [0,1,0,0,0,0|1,0,2]=4 42 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,1,0,0,0,0|1,0,2]=4 43 B8R1.2 NN[C@H]1CCCOC1 C93323 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.2 NOC1CCOCC1 97662 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 NO[C@H]1CCCOC1 97661 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.2 O=CC1CCNCC1 62056 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 OCC1=CCCCO1 S11090 [0,1,0,0,0,0|1,0,2]=4 48 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.2 OC[C@H]1COCCO1 D82528 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 SCC1CCOCC1 P16932 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 CC1CCN(N)CC1 F13743 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 CC1CNC(C)CN1 AC2834 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.3 CC1CNC(C)CN1 AT23784 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.3 CC1COC(C)CN1 F12415 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.3 CN1CCC(I)CC1 D97152 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.3 CN1CCC(S)CC1 AT13364 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,1,0,0,0,0|0,0,0]=1 60 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,0,0,0|1,0,1]=3 64 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.3 OC1CCC(Br)CC1 P19527 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.4 CC1CCNC(C)C1 D87679 [0,1,0,0,0,0|0,0,0]=1 67 B8R1.4 CC1CCOS(=O)O1 A12529 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.4 CC1CNCC(C)S1 AT10825 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.4 CC1COC[C@H](C)N1 F18864 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.4 CC1COC[C@H](C)N1 F18890 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.4 CC1COC[C@H](C)N1 F18927 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.4 CC1COC[C@H](C)N1 F18931 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.4 CC1CSCC(C)N1 AT10826 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,0,0,0|0,0,1]=2 80 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,0,0,0|0,0,1]=2 82 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,1,0,0,0,0|0,0,0]=1 83 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,1,0,0,0,0|0,0,0]=1 96 B8R1.4 NC1COCC(O)C1 W16026 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,0,0,0|1,0,2]=4 103 B8R1.5 CC1CCNCC1O 38881 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.5 CC1COCCC1N F13602 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.5 CC1NCCCC1O W19147 [0,1,0,0,0,0|0,0,0]=1 106 B8R1.5 CC1NCCSC1C AT25273 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.5 NC1CCCCC1O F13372 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.5 NC1CCOCC1O AT20154 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,0,0,0|1,0,1]=3 121 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.72 CC1(C)CCCCN1 AT24213 [0,1,0,0,0,0|0,0,0]=1 129 B8R1.72 CC1(C)CCCNC1 F30179 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.72 CC1(C)COCCN1 S10178 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.72 CC1(N)CCCCC1 W10115 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.72 CC1(N)CCNCC1 D75159 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.72 FC1(F)CCCNC1 W16714 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.72 O=S1(=O)COCCN1 P10864 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.1 C=C[C@@H](C)CCC T72328 [0,0,1,0,0,0|1,0,1]=3 137 B6R0.1 CCC[C@H](C)CBr S11885 [0,0,1,0,0,0|2,0,0]=3 138 B6R0.1 CCNC(=O)OC C16084 [0,0,1,0,0,0|2,0,1]=4 139 B6R0.1 CC[C@H](N)CCO AT22371 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.1 CC[C@H](N)COC D87652 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.1 CC[C@H](N)COC D87653 [0,0,1,0,0,0|3,0,0]=4 142 B6R0.1 CNC[C@@H](C)CN T70175 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.1 COC[C@@H](C)CO O10176 [0,0,1,0,0,0|3,0,0]=4 144 B6R0.1 COC[C@H](C)C#N C77646 [0,0,1,0,0,0|3,0,0]=4 145 B6R0.1 C[C@H](CN)CCO AT20757 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.1 C[C@H](CO)CCO 96740 [0,0,1,0,0,0|3,0,0]=4 147 B6R0.4 C=C(C)CCCO 71061 [0,0,1,0,0,0|2,0,1]=4 148 B6R0.4 CC(C)CCNN AC3937 [0,0,1,0,0,0|3,0,0]=4 149 B6R0.4 CC(C)OCCS AT13760 [0,0,1,0,0,0|2,0,0]=3 150 B6R0.4 CCCNC(=S)[S-] I11294 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.4 CCNC[C@H](C)O 91070 [0,0,1,0,0,0|2,0,0]=3 152 B6R0.4 CCONC(C)=O AT24904 [0,0,1,0,0,0|2,0,1]=4 153 B6R0.4 CNCCC(N)=O C78256 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.4 C[C@H](N)CCCO AT20758 [0,0,1,0,0,0|1,0,0]=2 155 B6R0.4 C[C@H](O)CCC#N F51113 [0,0,1,0,0,0|2,0,1]=4 156 B6R0.4 C[C@H](O)CCCBr A11305 [0,0,1,0,0,0|2,0,0]=3 157 B6R0.4 C[C@H](O)CCCN AT20756 [0,0,1,0,0,0|2,0,0]=3 158 B6R0.4 NC(=O)CCCO AT20755 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.4 NCCCC(N)=O AC5898 [0,0,1,0,0,0|2,0,1]=4 160 B6R0.4 [2H][C@H](Br)CCCC D99408 [0,0,1,0,0,0|2,0,0]=3 161 B6R0.6 C#CCCCCN D76652 [0,0,1,0,0,0|0,0,2]=3 162 B6R0.6 C#CCSCCN AT19952 [0,0,1,0,0,0|1,0,2]=4 163 B6R0.6 C=CCSCCN AT25545 [0,0,1,0,0,0|1,0,2]=4 164 B6R0.6 CCNCCSC AT25567 [0,0,1,0,0,0|1,0,0]=2 165 B6R0.6 CCOCCNN AC6859 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.6 CCOCCON AT14482 [0,0,1,0,0,0|2,0,0]=3 167 B6R0.6 CNCCCC#N AB10346 [0,0,1,0,0,0|1,0,2]=4 168 B6R0.6 CNCCCOC F15969 [0,0,1,0,0,0|3,0,0]=4 169 B6R0.6 COCCCC#N C77649 [0,0,1,0,0,0|1,0,2]=4 170 B6R0.6 COCCCCN C77605 [0,0,1,0,0,0|1,0,0]=2 171 B6R0.6 COCCCON AT14486 [0,0,1,0,0,0|2,0,0]=3 172 B6R0.6 C\C=C/CCCCl T71143 [0,0,1,0,0,0|1,0,2]=4 173 B6R0.6 ClCCNCCCl AB10357 [0,0,1,0,0,0|3,0,0]=4 174 B6R0.6 N#CCCCCN AC2033 [0,0,1,0,0,0|1,0,1]=3 175 B6R0.6 NCCOCCF AT12496 [0,0,1,0,0,0|2,0,0]=3 176 B6R0.6 NCCSCCO AT25550 [0,0,1,0,0,0|2,0,0]=3 177 B6R0.6 O=CNCCCO AC9004 [0,0,1,0,0,0|2,0,1]=4 178 B6R0.6 OCCNCCO AB10274 [0,0,1,0,0,0|3,0,0]=4 179 B6R0.6 OCCOCCI C77657 [0,0,1,0,0,0|3,0,0]=4 180 B6R0.6 [2H]OCCCCC D99155 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.6 [N-]=[N+]=NCCCN F19638 [0,0,1,0,0,0|3,0,0]=4 182 B8R2.2 CC12CCCC1O2 AT16552 [0,0,0,1,0,0|1,0,0]=2 183 B8R2.2 C[C@]12CCCC1O2 F50046 [0,0,0,1,0,0|1,0,0]=2 184 B8R2.34 C1=CC2CC1CN2 F13786 [0,0,0,1,0,0|0,0,2]=3 185 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [0,0,0,1,0,0|0,0,2]=3 186 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [0,0,0,1,0,0|0,0,2]=3 187 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,1,0,0|2,0,0]=3 188 B8R2.34 C1CN2CCC1C2 F15254 [0,0,0,1,0,0|2,0,0]=3 189 B8R2.34 C1NC2CNC1C2 F18865 [0,0,0,1,0,0|1,0,0]=2 190 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [0,0,0,1,0,0|1,0,0]=2 191 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [0,0,0,1,0,0|1,0,0]=2 192 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [0,0,0,1,0,0|1,0,0]=2 193 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,1,0,0|2,0,1]=4 194 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,1,0,0|1,0,1]=3 195 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,0,1,0|1,0,0]=2 197 B6R1.2 FC1CCCC1 T71800 [0,0,0,0,1,0|1,0,0]=2 198 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,0,1,0|2,0,0]=3 199 B6R1.2 N=C1NCCN1 AT25110 [0,0,0,0,1,0|2,0,1]=4 200 B6R1.2 O=C1CCON1 A11072 [0,0,0,0,1,0|2,0,1]=4 201 B6R1.2 O=C1CNCN1 C15062 [0,0,0,0,1,0|2,0,1]=4 202 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,0,1,0|3,0,0]=4 203 B8R1.22 CN1COCCOC1 F12615 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,0,0,1|0,0,0]=1 205 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,0,0,0,0,1|0,0,0]=1 206 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,0,0,0,0,1|0,0,0]=1 207 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,0,0,0,0,1|0,0,0]=1 208 B8R1.22 C[C@H]1CNCCCN1 70846 [0,0,0,0,0,1|0,0,0]=1 209 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,0,0,0,0,1|0,0,0]=1 210 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,0,0,0,0,1|0,0,0]=1 211 B8R1.22 FC1CNCCNC1 90916 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,0,0,0,0,1|1,0,0]=2 215 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,0,0,1|1,0,0]=2 216 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.22 O[C@H]1CNCCOC1 F13213 [0,0,0,0,0,1|2,0,0]=3 218 B5R0.1 C#CC[C@H](C)N AT12968 [1,0,1,0,0,0|0,0,2]=4 219 B5R0.1 C=C(C)CCC D91296 [1,0,1,0,0,0|0,0,2]=4 220 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,1,0,0,0|0,0,2]=4 221 B5R0.1 CC(C)CNN AR2531 [1,0,1,0,0,0|2,0,0]=4 222 B5R0.1 CCC[C@H](C)N N10856 [1,0,1,0,0,0|0,0,0]=2 223 B5R0.1 CCC[C@H](C)N N15476 [1,0,1,0,0,0|0,0,0]=2 224 B5R0.1 CN(C)CCBr F20843 [1,0,1,0,0,0|2,0,0]=4 225 B5R0.1 CONC(C)C AT24926 [1,0,1,0,0,0|1,0,0]=3 226 B5R0.1 CSC[C@H](C)N AT10784 [1,0,1,0,0,0|1,0,0]=3 227 B5R0.1 C[C@H](N)CC#N N14213 [1,0,1,0,0,0|1,0,1]=4 228 B5R0.1 C[C@H](N)CCO 83613 [1,0,1,0,0,0|1,0,0]=3 229 B5R0.1 C[C@H](N)CCO 83649 [1,0,1,0,0,0|1,0,0]=3 230 B5R0.1 C[C@H](O)CCN D77181 [1,0,1,0,0,0|2,0,0]=4 231 B5R0.1 C[C@H](O)CCN D77194 [1,0,1,0,0,0|2,0,0]=4 232 B5R0.1 C\C=C/C(C)C T72834 [1,0,1,0,0,0|0,0,2]=4 233 B5R0.2 C#CCNCC AT19974 [1,0,1,0,0,0|0,0,2]=4 234 B5R0.2 CC#CCNC AT19972 [1,0,1,0,0,0|0,0,2]=4 235 B5R0.2 CCCCNN AC6660 [1,0,1,0,0,0|1,0,0]=3 236 B5R0.2 CCCCNO AT14838 [1,0,1,0,0,0|1,0,0]=3 237 B5R0.2 CCCNOC AT24927 [1,0,1,0,0,0|1,0,0]=3 238 B5R0.2 CNCCSC D87904 [1,0,1,0,0,0|1,0,0]=3 239 B5R0.2 COCCNN AC7088 [1,0,1,0,0,0|2,0,0]=4 240 B5R0.2 CONCCO AT24903 [1,0,1,0,0,0|2,0,0]=4 241 B5R0.2 C\C=C\CCN AT22492 [1,0,1,0,0,0|0,0,2]=4 242 B5R0.2 N#CCCCN N13271 [1,0,1,0,0,0|1,0,1]=4 243 B5R0.2 NCCCNN W10659 [1,0,1,0,0,0|2,0,0]=4 244 B5R0.2 NCCCNO AT14843 [1,0,1,0,0,0|2,0,0]=4 245 B5R0.2 NNCCCO W10664 [1,0,1,0,0,0|2,0,0]=4 246 B5R0.2 NOCCCO P16653 [1,0,1,0,0,0|2,0,0]=4 247 B5R0.2 [2H]OCCCC D98922 [1,0,1,0,0,0|2,0,0]=4 248 B5R0.3 C#C[C@@H](C)CC W11641 [1,0,1,0,0,0|0,0,2]=4 249 B5R0.3 C=C(CC)CC D90428 [1,0,1,0,0,0|0,0,2]=4 250 B5R0.3 CC(CI)CI AC4732 [1,0,1,0,0,0|2,0,0]=4 251 B5R0.3 CCP(Cl)CC A12755 [1,0,1,0,0,0|2,0,0]=4 252 B5R0.3 CC[C@H](C)CBr D86395 [1,0,1,0,0,0|1,0,0]=3 253 B5R0.3 CC[C@H](C)CN 88661 [1,0,1,0,0,0|1,0,0]=3 254 B5R0.3 CC[C@H](C)CO 88660 [1,0,1,0,0,0|1,0,0]=3 255 B5R0.3 CC[C@H](C)NN AB8698 [1,0,1,0,0,0|1,0,0]=3 256 B5R0.3 CC[C@H](C)ON AT14504 [1,0,1,0,0,0|2,0,0]=4 257 B5R0.3 CN[C@@H](C)C#N AT19980 [1,0,1,0,0,0|1,0,1]=4 258 B5R0.3 CO[C@@H](C)CN 91000 [1,0,1,0,0,0|2,0,0]=4 259 B5R0.3 C[C@@H](CO)CBr C16753 [1,0,1,0,0,0|2,0,0]=4 260 B5R0.3 [2H]N(CC)CC D98468 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,1,0,0,0|1,0,1]=4 262 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,1,1,0,0,0|1,0,1]=4 263 B7R0.2 CN[C@@H](C)CC(F)F AT22542 [0,1,1,0,0,0|1,0,0]=3 264 B7R0.3 CCSC[C@H](C)NN D88052 [0,1,1,0,0,0|1,0,0]=3 265 B7R0.3 C[C@@H](CCCO)NN D88053 [0,1,1,0,0,0|1,0,0]=3 266 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,1,0,0,0|1,0,1]=4 267 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,1,0,0,0|2,0,0]=4 269 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,1,0,0,0|2,0,0]=4 270 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,1,1,0,0,0|1,0,1]=4 271 B7R0.10 CCC(C)C(N)CO D75056 [0,1,1,0,0,0|2,0,0]=4 272 B7R0.11 C=CC(C)(C)CCC T70796 [0,1,1,0,0,0|1,0,1]=4 273 B7R0.11 CCCC(C)(C)CC T71064 [0,1,1,0,0,0|1,0,0]=3 274 B7R0.11 CCOC(C)(C)CC D78478 [0,1,1,0,0,0|1,0,0]=3 275 B7R0.4 CC(=O)NCCCN AR2174 [0,1,1,0,0,0|1,0,1]=4 276 B7R0.4 CC(C)CSCCN AT25570 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.4 CC(C)OCCON AT14483 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.4 CCCCCC(N)=S W19000 [0,1,1,0,0,0|1,0,1]=4 279 B7R0.4 CCNCCC(N)=O A11725 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.4 CN(C)CCCCN V10255 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.4 CNCCCC(N)=O AB11605 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.4 CNCCNC(C)=O C77870 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.4 C[S@](=O)CCCCN 13216 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.4 NC(=O)CCCCBr AC9465 [0,1,1,0,0,0|1,0,1]=4 285 B7R0.4 NC(=O)CCCCCl AC5718 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.4 NCCCCC(N)=O AC3685 [0,1,1,0,0,0|1,0,1]=4 287 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,1,1,0,0,0|0,0,0]=2 288 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,1,1,0,0,0|1,0,0]=3 289 B7R0.8 CC(C)(C)NCCN AT13989 [0,1,1,0,0,0|1,0,0]=3 290 B7R0.8 CC(C)(C)OCCBr AT13987 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.8 CC(C)(C)OCCI AT13988 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.8 CC(C)(C)OCCS AT13759 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.8 CC(C)(C)SCCBr AT13957 [0,1,1,0,0,0|2,0,0]=4 294 B7R0.8 CC(C)(C)SCCI AT13958 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.8 CC(C)(C)SCCO AT13948 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.8 CC(C)(C)SCCS AT13955 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.8 CCCC[Si](C)(Cl)Cl C15141 [0,1,1,0,0,0|1,1,0]=4 298 B7R0.8 CCCNC(C)(C)C AT13992 [0,1,1,0,0,0|0,0,0]=2 299 B7R0.8 CC\C=C/C(C)(C)C T71234 [0,1,1,0,0,0|1,0,1]=4 300 B7R0.8 COCCC(C)(C)N D75145 [0,1,1,0,0,0|1,0,0]=3 301 B7R0.1 C#CCNCCCN AT19978 [0,1,1,0,0,0|0,0,2]=4 302 B7R0.1 C=CCCCCCCl I11994 [0,1,1,0,0,0|1,0,1]=4 303 B7R0.1 C=CCCCCCO F14745 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.1 CNCCCCCO AT11157 [0,1,1,0,0,0|1,0,0]=3 305 B7R0.1 CNCCCCCO AT11158 [0,1,1,0,0,0|1,0,0]=3 306 B7R0.1 COCCNCCO AT12488 [0,1,1,0,0,0|1,0,0]=3 307 B7R0.1 COCCOCCN F50617 [0,1,1,0,0,0|1,0,0]=3 308 B7R0.1 COCCOCCS AT10124 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.1 C\C=C/CCCCC T72919 [0,1,1,0,0,0|1,0,1]=4 310 B7R0.1 NCCSCCCO AT25557 [0,1,1,0,0,0|1,0,0]=3 311 B7R0.1 NCCSSCCN AT21144 [0,1,1,0,0,0|2,0,0]=4 312 B7R0.1 O=CCCCCCCl 24359 [0,1,1,0,0,0|1,0,1]=4 313 B7R0.1 OCCCCCCI AT14272 [0,1,1,0,0,0|1,0,0]=3 314 B7R0.1 OCCCNCCO FD7298 [0,1,1,0,0,0|1,0,0]=3 315 B7R1.1 C#C[C@@H]1CCCN1 P11309 [0,1,0,0,1,0|0,0,1]=3 316 B7R1.1 C#C[C@@H]1CCCN1 P12571 [0,1,0,0,1,0|0,0,1]=3 317 B7R1.1 C#C[C@@H]1CCCN1 P12581 [0,1,0,0,1,0|0,0,1]=3 318 B7R1.1 C#C[C@@H]1CCCN1 P15993 [0,1,0,0,1,0|0,0,1]=3 319 B7R1.1 CCC1CCCC1 T71889 [0,1,0,0,1,0|0,0,0]=2 320 B7R1.1 CC[C@H]1CCCN1 N12693 [0,1,0,0,1,0|0,0,0]=2 321 B7R1.1 CNC1=NCCN1 AT25111 [0,1,0,0,1,0|1,0,1]=4 322 B7R1.1 CN[C@H]1CCNC1 C14692 [0,1,0,0,1,0|1,0,0]=3 323 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,0,1,0|1,0,0]=3 324 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,0,1,0|1,0,0]=3 325 B7R1.1 CN[C@H]1CCSC1 D72867 [0,1,0,0,1,0|1,0,0]=3 326 B7R1.1 COC1=NCCN1 D98226 [0,1,0,0,1,0|1,0,1]=4 327 B7R1.1 ClC[C@H]1CCCN1 87778 [0,1,0,0,1,0|0,0,0]=2 328 B7R1.1 ClC[C@H]1CCCN1 D76474 [0,1,0,0,1,0|0,0,0]=2 329 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,0,1,0|1,0,0]=3 330 B7R1.1 FC[C@H]1CCCN1 AT24807 [0,1,0,0,1,0|0,0,0]=2 331 B7R1.1 FC[C@H]1CCCN1 P12668 [0,1,0,0,1,0|0,0,0]=2 332 B7R1.1 N#C[C@@H]1CCCN1 74927 [0,1,0,0,1,0|0,0,1]=3 333 B7R1.1 N#C[C@@H]1CCCN1 C16310 [0,1,0,0,1,0|0,0,1]=3 334 B7R1.1 N#C[C@H]1CCNC1 P10379 [0,1,0,0,1,0|1,0,1]=4 335 B7R1.1 NC[C@H]1CCCN1 C16283 [0,1,0,0,1,0|0,0,0]=2 336 B7R1.1 NC[C@H]1CCCN1 FD10638 [0,1,0,0,1,0|0,0,0]=2 337 B7R1.1 NC[C@H]1CCCN1 S10708 [0,1,0,0,1,0|0,0,0]=2 338 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,0,1,0|1,0,0]=3 339 B7R1.1 NN[C@H]1CCOC1 91992 [0,1,0,0,1,0|2,0,0]=4 340 B7R1.1 NN[C@H]1CCOC1 C93321 [0,1,0,0,1,0|2,0,0]=4 341 B7R1.1 NN[C@H]1CCOC1 F15303 [0,1,0,0,1,0|2,0,0]=4 342 B7R1.1 NOC1CCCC1 97656 [0,1,0,0,1,0|1,0,0]=3 343 B7R1.1 OC[C@H]1CCCN1 11147 [0,1,0,0,1,0|0,0,0]=2 344 B7R1.1 ONC1CCCC1 33366 [0,1,0,0,1,0|1,0,0]=3 345 B7R1.1 ONC1CCCC1 33756 [0,1,0,0,1,0|1,0,0]=3 346 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,0,1,0|0,0,0]=2 347 B7R1.2 CC1CNC(C)C1 83923 [0,1,0,0,1,0|0,0,0]=2 348 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,0,1,0|1,0,1]=4 349 B7R1.2 CN1CC[C@H](N)C1 56133 [0,1,0,0,1,0|1,0,0]=3 350 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,1,0,0,1,0|1,0,0]=3 351 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,0,1,0|1,0,1]=4 352 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,0,1,0|1,0,1]=4 353 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,1,0,0,1,0|0,0,0]=2 354 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,1,0,0,1,0|0,0,0]=2 355 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,1,0,0,1,0|1,0,1]=4 356 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,1,0,0,1,0|1,0,1]=4 357 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,1,0,0,1,0|1,0,1]=4 358 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,1,0,0,1,0|1,0,1]=4 359 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,0,1,0|1,0,1]=4 360 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,1,0,0,1,0|1,0,0]=3 361 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,1,0,0,1,0|1,0,0]=3 362 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,0,1,0|1,0,1]=4 363 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,1,0,0,1,0|1,0,1]=4 364 B7R1.4 CC1CNCC1O 72148 [0,1,0,0,1,0|1,0,0]=3 365 B7R1.4 CC1CNCC1O AT22587 [0,1,0,0,1,0|1,0,0]=3 366 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,1,0,0,1,0|0,0,0]=2 367 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,1,0,0,1,0|1,0,0]=3 368 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,1,0,0,1,0|1,0,0]=3 369 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,1,0,0,1,0|1,0,0]=3 370 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,0,1,0|1,0,1]=4 371 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,0,1,0|1,0,1]=4 372 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,0,1,0|1,0,1]=4 373 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,1,0,0,1,0|2,0,0]=4 374 B7R1.4 NC1CCCC1N 77840 [0,1,0,0,1,0|1,0,0]=3 375 B7R1.4 NC1COCC1O F19779 [0,1,0,0,1,0|2,0,0]=4 376 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,0,1,0|1,0,0]=3 377 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,0,1,0|2,0,0]=4 378 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,0,1,0|2,0,0]=4 379 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,0,1,0|2,0,0]=4 380 B7R1.4 OC1COCC1Br AC8201 [0,1,0,0,1,0|2,0,0]=4 381 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,0,1,0|1,0,0]=3 382 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,0,1,0|2,0,0]=4 383 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,0,1,0|2,0,0]=4 384 B7R1.14 CC1(C)NCCO1 A51220 [0,1,0,0,1,0|1,0,0]=3 385 B7R1.14 CC1(N)CCCC1 F50575 [0,1,0,0,1,0|0,0,0]=2 386 B7R1.14 C[C@]1(N)CCNC1 97388 [0,1,0,0,1,0|1,0,0]=3 387 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,0,1,0|1,0,0]=3 388 B7R1.14 C[C@]1(O)CNOC1 A50949 [0,1,0,0,1,0|2,0,0]=4 389 B7R1.14 C[C@]1(O)CNOC1 AT14854 [0,1,0,0,1,0|2,0,0]=4 390 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,0,0,1|1,0,1]=4 391 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,0,0,1|1,0,0]=3 392 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,1,0,0,0,1|0,0,0]=2 393 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,0,0,1|1,0,1]=4 395 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.48 CN1CCCC[C@H](N)C1 AT11195 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,1,0,0,0,1|1,0,1]=4 401 B9R1.48 C[C@H]1CN(C)CCCN1 90920 [0,1,0,0,0,1|0,0,0]=2 402 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,0,0,1|1,0,1]=4 403 B9R1.49 OC1CCC(O)CSC1 F51867 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.89 CN[C@H]1CCCCNC1 97599 [0,1,0,0,0,1|0,0,0]=2 405 B9R1.89 CN[C@H]1CCCCNC1 97600 [0,1,0,0,0,1|0,0,0]=2 406 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,0,0,1|1,0,1]=4 407 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.148 CC1(C)CCCNCC1 AT20041 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.148 CC1(C)CNCCCN1 AT13212 [0,1,0,0,0,1|0,0,0]=2 410 B9R1.148 CC1(C)CNCCCN1 AT20052 [0,1,0,0,0,1|0,0,0]=2 411 B9R1.148 C[C@]1(O)CCCNCC1 P12010 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.148 C[C@]1(O)CNCCOC1 D84909 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.148 FC1(F)CCCNCC1 P18983 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.148 FC1(F)CNCCNC1 72863 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 CC1CCC(CBr)CC1 72498 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.1 CC1CCC(CCl)CC1 AC2846 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.1 CC1COC(C#N)CN1 F18944 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.1 CC1COC(CO)CN1 AT20471 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.1 CCN1CCC(N)CC1 75204 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.1 CN1CCC(NN)CC1 C75403 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.1 CN1CCC(ON)CC1 97663 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,2,0,0,0,0|1,0,1]=4 424 B9R1.1 CON1CCC(O)CC1 92074 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,2,0,0,0,0|0,0,0]=2 426 B9R1.1 C[C@H]1CN[C@@H](CO)CN1 AT10066 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.1 C[C@H]1CN[C@@H](CO)CN1 AT10068 [0,2,0,0,0,0|1,0,0]=3 428 B9R1.1 N#CC1CCC(N)CC1 F18888 [0,2,0,0,0,0|1,0,1]=4 429 B9R1.1 NCC1CCC(F)CC1 66265 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.1 NCC1CCC(O)CC1 C77951 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,2,0,0,0,0|1,0,1]=4 432 B9R1.2 CC1CCCC(CO)N1 P11618 [0,2,0,0,0,0|0,0,0]=2 433 B9R1.2 CC1CNCC(CO)C1 P19048 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.2 CCN1CCN[C@@H](C)C1 F13062 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,2,0,0,0,0|0,0,1]=3 436 B9R1.2 CC[C@H]1COC[C@H](C)N1 F18905 [0,2,0,0,0,0|1,0,0]=3 437 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.2 CN1CCC[C@H](CN)C1 D78816 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.2 CN1CCC[C@H](CN)C1 P11113 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,2,0,0,0,0|0,0,0]=2 442 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.6 CC(C)[C@@H]1CNCCN1 20127 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.6 CC(C)[C@@H]1CNCCN1 20129 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.6 CC(C)[C@@H]1CNCCN1 AT22713 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.6 CC(C)[C@@H]1CNCCN1 W18944 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.6 CC(C)[C@@H]1CNCCO1 D75743 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.6 CC(C)[C@@H]1CNCCO1 D75749 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.6 CC(C)[C@@H]1CNCCS1 AT25277 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.6 CC(C)[C@@H]1COCCN1 A50783 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.6 CC(C)[C@@H]1COCCN1 F13098 [0,2,0,0,0,0|1,0,0]=3 453 B9R1.6 CC(C)[C@@H]1COCCN1 F19078 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.6 CN(C)C1CCOCC1 D77650 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.6 CN(C)[C@H]1CCCNC1 D84000 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.6 CN(C)[C@H]1CCCNC1 Y10739 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.6 C[C@H](N)C1CCCCO1 79891 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.6 C[C@H](N)C1CCCOC1 79879 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.6 C[C@H](N)C1CCCOC1 79880 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.6 C[C@H](N)C1CCCOC1 79881 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.6 C[C@H](N)C1CCCOC1 79882 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.6 C[C@H](N)C1CCOCC1 AT13557 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.6 C[C@H](N)C1CCOCC1 D77651 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91581 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91584 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.6 FC(F)C1CCNCC1 P11049 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,2,0,0,0,0|0,0,1]=3 473 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,2,0,0,0,0|1,0,1]=4 474 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,2,0,0,0,0|1,0,1]=4 475 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,2,0,0,0,0|1,0,1]=4 476 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,2,0,0,0,0|1,0,1]=4 477 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,2,0,0,0,0|1,0,1]=4 478 B9R1.8 C#CCC1CCNCC1 AT11974 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.8 C#CC[C@H]1CCCNC1 AT11977 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [0,2,0,0,0,0|0,0,0]=2 481 B9R1.8 CCCC1CCNCC1 C75224 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.8 CCC[C@H]1CCCCN1 F16887 [0,2,0,0,0,0|0,0,0]=2 483 B9R1.8 CCNC1CCNCC1 AC8313 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.8 CNCC1CCCCC1 P19116 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.8 CNCC1CCOCC1 71672 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.8 CNC[C@H]1CCCCO1 F16332 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.8 COC[C@H]1CCCCN1 31181 [0,2,0,0,0,0|0,0,0]=2 488 B9R1.8 COC[C@H]1CCCCN1 Y11003 [0,2,0,0,0,0|0,0,0]=2 489 B9R1.8 COC[C@H]1CCCNC1 C78400 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.8 N#CCC1CCNCC1 32762 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.8 N#CC[C@H]1CCCOC1 AT23687 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.8 N#CC[C@H]1COCCO1 AT10085 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.8 NCCC1CCNCC1 65278 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.8 NCC[C@H]1CCCCN1 D76613 [0,2,0,0,0,0|0,0,0]=2 495 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.8 NCC[C@H]1CCCNC1 D76642 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.8 NCC[C@H]1COCCN1 A50776 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.8 NCC[C@H]1COCCN1 C77968 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.8 NNCC1CCCCC1 P11239 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.8 OCCN1CCCCO1 72896 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.8 OCC[C@H]1CNCCN1 27756 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.8 OCC[C@H]1CNCCO1 A50782 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.8 OCC[C@H]1COCCN1 A50775 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.8 OCC[C@H]1COCCN1 C78196 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.15 CCC1CCCCC1C T72380 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.15 CCC1CCCCC1O D90497 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.15 CN1CCOC[C@@H]1CN 27733 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.15 CN1CCOC[C@@H]1CN 77625 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.15 CN[C@H]1CNCC[C@H]1C 44571 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.15 COC1CCCCC1N C77572 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.15 COC1CNCCC1C 33459 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.15 CO[C@H]1CCOC[C@@H]1N AT13729 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.15 CO[C@H]1COCC[C@@H]1N AT20176 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.15 CO[C@H]1COCC[C@@H]1N P15681 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [0,2,0,0,0,0|1,0,0]=3 523 B9R1.15 N#CC1CCCCC1N AT21039 [0,2,0,0,0,0|1,0,1]=4 524 B9R1.15 NCC1CCCCC1O C77667 [0,2,0,0,0,0|1,0,0]=3 525 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,2,0,0,0,0|1,0,1]=4 529 B9R1.15 OCC1CCNCC1O 33470 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.15 OCC1CNCCC1O 33707 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.118 C#C[C@@]1(C)CCCNC1 91401 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.118 CC1(C=O)CCSCC1 AT10702 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.118 CC1(CN)CCCCC1 71856 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.118 CC1(CO)CCNCC1 53326 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.118 COC1(C)CCNCC1 F13725 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.118 C[C@@]1(C#N)CNCCO1 F19090 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.118 C[C@]1(CO)CCCNC1 55565 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.118 C[C@]1(CO)CCCNC1 55575 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.118 FC1(CBr)CCCCC1 C93351 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,2,0,0,0,0|1,0,0]=3 544 B9R1.118 NC1(CO)CCCCC1 D74962 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.118 NC1(CO)CCNCC1 D75162 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.118 NCC1(F)CCOCC1 85782 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.118 NCC1(N)CCCCC1 D73325 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.118 NCC1(O)CCCCC1 C78197 [0,2,0,0,0,0|1,0,0]=3 549 B9R1.118 NCC1(O)CCNCC1 F30912 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.118 OCC1(F)CCCCC1 26699 [0,2,0,0,0,0|1,0,0]=3 551 B9R1.118 OCC1(F)CCNCC1 P17075 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,2,0,0,0,0|1,0,1]=4 553 B9R1.10 C[C@H]1CNC(C)(C)CN1 P16872 [0,2,0,0,0,0|1,0,0]=3 554 B9R1.10 C[C@]1(O)CCC(=O)NC1 N10620 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.69 CC1CC(N)CCN1C P11329 [0,2,0,0,0,0|0,0,0]=2 556 B9R1.69 CC1COC(C)C(C)N1 F18841 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.69 C[C@H]1CN(C)C(=O)CN1 F19683 [0,2,0,0,0,0|1,0,1]=4 559 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10819 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,2,0,0,0,0|1,0,1]=4 561 B9R1.3 CC1CCCC(C)C1C T71900 [0,2,0,0,0,0|1,0,0]=3 562 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,2,0,0,0,0|1,0,1]=4 563 B9R1.3 C[C@@H]1NCCN(C)C1=O C14663 [0,2,0,0,0,0|1,0,1]=4 564 B9R1.3 C[C@@H]1NCCN(C)C1=O F53792 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.3 C[C@@H]1NCCN(C)C1=O F53796 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.3 C[C@H]1CNC[C@@H](C)N1C H11573 [0,2,0,0,0,0|1,0,0]=3 567 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,2,0,0,0,0|0,0,1]=3 568 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,2,0,0,0,0|1,0,1]=4 569 B9R1.34 CC1CC(O)CC(C)N1 32765 [0,2,0,0,0,0|0,0,0]=2 570 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.34 CN1CC(N)CC(F)C1 P21025 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,2,0,0,0,0|0,0,1]=3 573 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,2,0,0,0,0|1,0,1]=4 574 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.66 CC1(C)COC[C@@H](N)O1 65986 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.66 CC1(C)C[C@@H](N)CCO1 32721 [0,2,0,0,0,0|1,0,0]=3 578 B9R1.66 CC1(C)C[C@@H](N)CCS1 89937 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10086 [0,2,0,0,0,0|0,0,0]=2 580 B9R1.66 C[C@H]1CC(F)(F)CCN1 AT11441 [0,2,0,0,0,0|0,0,0]=2 581 B9R1.66 C[C@H]1CC(F)(F)CCN1 AT11442 [0,2,0,0,0,0|0,0,0]=2 582 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.66 C[C@H]1COCC(C)(C)N1 F19092 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.66 C[C@H]1COCC(C)(C)N1 F19096 [0,2,0,0,0,0|1,0,0]=3 585 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10760 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10761 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20962 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,2,0,0,0,0|1,0,1]=4 589 B9R1.40 CC1(N)CCNCC1O 92292 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10753 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10754 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.40 C[C@H]1CNCCS1(=O)=O D75214 [0,2,0,0,0,0|2,0,0]=4 593 B7R1.6 CCNC1COC1 F51700 [0,0,1,1,0,0|1,0,0]=3 594 B7R1.6 OCC[C@H]1CCN1 D76473 [0,0,1,1,0,0|1,0,0]=3 595 B7R1.6 OCC[C@H]1CCN1 F50335 [0,0,1,1,0,0|1,0,0]=3 596 B7R1.10 CNC1CC(O)C1 AT20141 [0,0,1,1,0,0|1,0,0]=3 597 B7R1.10 COC1CC(N)C1 P12017 [0,0,1,1,0,0|2,0,0]=4 598 B7R1.10 CSC1CC(N)C1 AT20164 [0,0,1,1,0,0|2,0,0]=4 599 B7R1.21 CCCC1(O)CC1 AT11368 [0,0,1,1,0,0|2,0,0]=4 600 B7R1.21 CCOC1(Br)CC1 F53374 [0,0,1,1,0,0|2,0,0]=4 601 B7R1.21 CCOC1(N)CC1 AT19095 [0,0,1,1,0,0|2,0,0]=4 602 B7R1.25 CC1(C=O)CCC1 90943 [0,0,1,1,0,0|2,0,0]=4 603 B7R1.25 CNC1(C)COC1 39043 [0,0,1,1,0,0|1,0,0]=3 604 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,0,1,1,0,0|2,0,0]=4 605 B7R1.7 NCCOC1CC1 AT11523 [0,0,1,1,0,0|2,0,0]=4 606 B7R1.7 OCCNC1CC1 AT25786 [0,0,1,1,0,0|1,0,0]=3 607 B7R1.18 C[C@H](N)C1CCC1 32380 [0,0,1,1,0,0|0,0,0]=2 608 B7R1.18 C[C@H](N)C1CCC1 93059 [0,0,1,1,0,0|0,0,0]=2 609 B7R1.18 C[C@H](N)C1CCC1 93061 [0,0,1,1,0,0|0,0,0]=2 610 B7R1.18 NC(=S)C1CCC1 N12939 [0,0,1,1,0,0|1,0,1]=4 611 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,1,1,0,0|1,0,1]=4 612 B7R1.20 CC(C)NC1CC1 AT12484 [0,0,1,1,0,0|0,0,0]=2 613 B7R1.23 CC1(C)C[C@@H]1CN 69322 [0,0,1,1,0,0|2,0,0]=4 614 B7R1.23 CC1(C)C[C@@H]1CN AT12868 [0,0,1,1,0,0|2,0,0]=4 615 B7R1.24 C1=CCCNCC1 C13802 [0,0,1,1,0,0|0,0,2]=4 616 B7R1.24 C1CCCNCC1 D77224 [0,0,1,1,0,0|0,0,0]=2 617 B7R1.24 C1CCNNCC1 AB9014 [0,0,1,1,0,0|1,0,0]=3 618 B7R1.24 C1CNCCSC1 W16417 [0,0,1,1,0,0|1,0,0]=3 619 B7R2.13 C1CC2CC2N1 P10693 [1,0,0,1,0,0|0,0,0]=2 620 B9R2.7 CN1C[C@@H]2CNC[C@@H]21 P15794 [0,0,0,1,0,1|2,0,0]=4 621 B9R2.7 CN1C[C@@H]2CNC[C@@H]21 P17077 [0,0,0,1,0,1|2,0,0]=4 622 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,1,0,1|1,0,1]=4 623 B9R2.68 C1=C[C@H]2CC[C@@H](C1)C2 T71364 [0,0,0,1,0,1|1,0,0]=3 624 B9R2.68 C1CC2CNCC1N2 F12443 [0,0,0,1,0,1|1,0,0]=3 625 B9R2.68 C1CN2CCC(C2)N1 F30915 [0,0,0,1,0,1|0,0,0]=2 626 B9R2.109 CN1CCNC2CC21 D96634 [0,0,0,1,0,1|2,0,0]=4 627 B9R2.47 N#C[C@@H]1C[C@@H]2C[C@@H]2N1 P12572 [0,1,0,1,0,0|0,0,1]=3 628 B9R2.49 C1CC2CCC1CN2 P11101 [0,1,0,1,0,0|0,0,0]=2 629 B9R2.50 C1CCC2NCC2C1 P11106 [0,1,0,1,0,0|1,0,0]=3 630 B9R2.56 OCC12CCNC1C2 91927 [0,1,0,1,0,0|2,0,0]=4 631 B9R2.56 OC[C@]12CNC[C@H]1C2 C90730 [0,1,0,1,0,0|2,0,0]=4 632 B9R2.65 OCC1C2CNCC12 D87850 [0,1,0,1,0,0|2,0,0]=4 633 B9R2.8 CN1CC2CC(C1)N2 S12233 [0,1,0,1,0,0|1,0,0]=3 634 B9R2.39 CC1=CC2CCC1C2 75573 [0,1,0,1,0,0|1,0,1]=4 635 B9R2.39 CC1CC2C=CC1C2 A10533 [0,1,0,1,0,0|1,0,1]=4 636 B9R2.39 CN1CC2CC1CN2 A10579 [0,1,0,1,0,0|1,0,0]=3 637 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P11149 [0,1,0,1,0,0|1,0,0]=3 638 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P12347 [0,1,0,1,0,0|1,0,0]=3 639 B9R2.39 NC1CC2CCC1C2 F30523 [0,1,0,1,0,0|1,0,0]=3 640 B9R2.39 NC1CC2CCC1O2 P12536 [0,1,0,1,0,0|2,0,0]=4 641 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,1,0,1,0,0|1,0,0]=3 642 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,1,0,1,0,0|1,0,0]=3 643 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,1,0,1,0,0|1,0,0]=3 644 B9R2.39 O=C1OC2CCC1C2 P17974 [0,1,0,1,0,0|1,0,1]=4 645 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,1,0,1,0,0|2,0,0]=4 646 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 D79090 [0,1,0,1,0,0|0,0,0]=2 647 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 D79089 [0,1,0,1,0,0|0,0,0]=2 648 B5R1.1 C1=NNCC1 F12428 [1,0,0,0,1,0|1,0,1]=4 649 B5R1.1 C1CNOC1 F14141 [1,0,0,0,1,0|1,0,0]=3 650 B5R1.2 C[C@H]1CCN1 71554 [0,0,0,0,2,0|0,0,0]=2 651 B5R1.2 FC1CNC1 31039 [0,0,0,0,2,0|2,0,0]=4 652 B5R1.2 IC1CNC1 P11673 [0,0,0,0,2,0|2,0,0]=4 653 B5R1.2 NC1CNC1 AC2715 [0,0,0,0,2,0|2,0,0]=4