0 B8R1.4 CC1CCNC(C)C1 D87679 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1CCOS(=O)O1 A12529 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 CC1CNCC(C)S1 AT10825 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 CC1COC[C@H](C)N1 F18864 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.4 CC1COC[C@H](C)N1 F18890 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.4 CC1COC[C@H](C)N1 F18927 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CC1COC[C@H](C)N1 F18931 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.4 CC1CSCC(C)N1 AT10826 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,0,0,0,0,0|1,0,2]=3 15 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,0,0,0,0,0|1,0,2]=3 26 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,0,0,0,0,0|1,0,2]=3 32 B8R1.4 NC1COCC(O)C1 W16026 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,0,0,0,0,0|1,0,2]=3 35 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,0,0,0,0,0|1,0,2]=3 36 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,0,0,0,0,0|1,0,2]=3 37 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.3 BrC1=CCCNC1 D85784 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 Br[C@H]1CCCNC1 C14028 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 C=C1CCCNC1 W15931 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 C=C1CCNCC1 33821 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 CC1=CCOCC1 F17726 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,0,0,0|1,0,1]=3 47 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 C[C@H]1CNCCS1 AT10751 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 C[C@H]1CNCCS1 AT25278 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 C[C@H]1CSCCN1 AT10756 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 C[C@H]1CSCCN1 AT10759 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.3 NN1CCNCC1 I10257 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.3 NN1CCNCC1 P19252 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.3 N[C@H]1CCCOC1 F31015 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 N[C@H]1CCCOC1 P11042 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 O=S1CCOCC1 A51207 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,0,0,0|0,1,0]=2 61 B9R1.2 CC1CCCC(CO)N1 P11618 [0,1,0,0,0,0|1,0,2]=4 62 B9R1.2 CC1CNCC(CO)C1 P19048 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.2 CCN1CCN[C@@H](C)C1 F13062 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,0,0,0|1,0,0]=2 65 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.2 CN1CCC[C@H](CN)C1 D78816 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 CN1CCC[C@H](CN)C1 P11113 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,1,0,0,0,0|0,0,2]=3 69 B9R1.2 COC1=CC(=O)CCC1 63648 [0,1,0,0,0,0|0,0,2]=3 70 B9R1.2 COC1=CCCN(C)C1 AC7481 [0,1,0,0,0,0|1,0,2]=4 71 B9R1.3 CC1CCCC(C)C1C T71900 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.34 CC1CC(O)CC(C)N1 32765 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.34 CN1CC(N)CC(F)C1 P21025 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,1,0,0,0,0|0,0,2]=3 83 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,1,0,0,0,0|0,0,2]=3 84 B9R1.66 CC1(C)C[C@@H](N)CCO1 32721 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.66 CC1(C)C[C@@H](N)CCS1 89937 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10086 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.66 C[C@H]1CC(F)(F)CCN1 AT11441 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.66 C[C@H]1CC(F)(F)CCN1 AT11442 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10760 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10761 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20962 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.66 N[C@H]1CCCS(=O)(=O)C1 AT10979 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.66 O=C1CCCS(=O)(=O)C1 AT13044 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.66 O=S1(=O)CCC[C@H](O)C1 AT13041 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.69 CC1CC(N)CCN1C P11329 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,0,1,0,0,0|1,0,0]=2 103 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.2 CC(C)CC(=O)CN F50535 [0,0,1,0,0,0|1,0,0]=2 105 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,0,1,0,0,0|1,0,2]=4 106 B7R0.2 COC(=O)CN(C)C F21349 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.4 C=C(C)CC\C=C\C T72820 [0,0,1,0,0,0|1,0,2]=4 113 B7R0.4 CC(=O)NCCCN AR2174 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.4 CC(C)CSCCN AT25570 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.4 CC(C)OCCON AT14483 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.4 CCCCCC(N)=S W19000 [0,0,1,0,0,0|1,1,0]=3 117 B7R0.4 CCNCCC(N)=O A11725 [0,0,1,0,0,0|2,0,0]=3 118 B7R0.4 CC\C=C/CC(=O)O F18341 [0,0,1,0,0,0|1,0,2]=4 119 B7R0.4 CN(C)CCCCN V10255 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.4 CNCCCC(N)=O AB11605 [0,0,1,0,0,0|2,0,0]=3 121 B7R0.4 CNCCNC(C)=O C77870 [0,0,1,0,0,0|2,0,0]=3 122 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.4 C[S@](=O)CCCCN 13216 [0,0,1,0,0,0|2,0,0]=3 124 B7R0.4 NC(=O)CCCCBr AC9465 [0,0,1,0,0,0|2,0,0]=3 125 B7R0.4 NC(=O)CCCCCl AC5718 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.4 NCCCCC(N)=O AC3685 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.4 NCCSCC(=O)O AT25571 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.4 O=C(Cl)COCCCl AT18762 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.7 CCC[C@H](N)CCO N15481 [0,0,1,0,0,0|1,0,2]=4 130 B7R0.7 CCC[C@H](N)CCO N15482 [0,0,1,0,0,0|1,0,2]=4 131 B7R0.7 CCOC(=O)CCN F19878 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.7 CCSC(=O)OCI C77591 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,0,1,0,0,0|1,0,0]=2 134 B7R0.7 O=C(CCBr)CCBr 52047 [0,0,1,0,0,0|2,0,0]=3 135 B9R2.8 CN1CC2CC(C1)N2 S12233 [0,0,0,1,0,0|2,0,1]=4 136 B9R2.39 C=C1CC2C=CC1C2 AC9080 [0,0,0,1,0,0|1,0,2]=4 137 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,1,0,0|1,0,1]=3 138 B9R2.39 CN1CC2CC1CN2 A10579 [0,0,0,1,0,0|3,0,0]=4 139 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P11149 [0,0,0,1,0,0|3,0,0]=4 140 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P12347 [0,0,0,1,0,0|3,0,0]=4 141 B9R2.39 NC1CC2CCC1C2 F30523 [0,0,0,1,0,0|1,0,1]=3 142 B9R2.39 NC1CC2CCC1O2 P12536 [0,0,0,1,0,0|1,0,2]=4 143 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,0,0,1,0,0|1,0,1]=3 144 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,0,0,1,0,0|1,0,1]=3 145 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,0,0,1,0,0|1,0,1]=3 146 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,1,0,0|1,0,0]=2 147 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,0,0,1,0,0|1,0,2]=4 148 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 D79090 [0,0,0,1,0,0|1,0,2]=4 149 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 D79089 [0,0,0,1,0,0|1,0,2]=4 150 B9R2.68 C1CN2CCC(C2)N1 F30915 [0,0,0,1,0,0|3,0,0]=4 151 B9R2.109 CN1CCNC2CC21 D96634 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,0,1,0|3,0,0]=4 153 B7R1.2 CC1CC(O)CN1 AT24888 [0,0,0,0,1,0|1,0,2]=4 154 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,0,1,0|2,0,1]=4 155 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,0,1,0|1,0,0]=2 156 B7R1.2 CN1CC[C@H](N)C1 56133 [0,0,0,0,1,0|2,0,1]=4 157 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,0,0,0,1,0|2,0,1]=4 158 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,0,1,0|1,0,0]=2 159 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,0,1,0|1,0,0]=2 160 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,0,0,0,1,0|2,0,1]=4 161 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,0,1,0|1,0,1]=3 162 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,0,1,0|3,0,0]=4 163 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,0,1,0|2,0,0]=3 164 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,0,1,0|2,0,0]=3 165 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,0,1,0|2,0,0]=3 166 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,0,1,0|2,0,0]=3 167 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,0,1,0|1,0,0]=2 168 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,0,0,0,1,0|2,0,1]=4 169 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,0,0,0,1,0|2,0,1]=4 170 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,0,0,0,1,0|1,0,2]=4 171 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,0,1,0|2,0,1]=4 172 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,0,1,0|1,0,0]=2 173 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,0,0,0,1,0|3,0,0]=4 174 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,0,1,0|2,0,0]=3 175 B7R1.4 CC1=C(C)CNC1 AT22666 [0,0,0,0,1,0|2,0,1]=4 176 B7R1.4 CC1CNCC1O 72148 [0,0,0,0,1,0|1,0,2]=4 177 B7R1.4 CC1CNCC1O AT22587 [0,0,0,0,1,0|1,0,2]=4 178 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,0,1,0|1,0,1]=3 179 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,0,0,0,1,0|2,0,1]=4 180 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,0,0,0,1,0|2,0,1]=4 181 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,0,0,0,1,0|2,0,1]=4 182 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,0,1,0|1,0,0]=2 183 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,0,1,0|1,0,0]=2 184 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,0,1,0|1,0,0]=2 185 B7R1.4 NC1CCCC1N 77840 [0,0,0,0,1,0|2,0,1]=4 186 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,0,0,0,1,0|1,0,2]=4 187 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,0,1,0|2,0,0]=3 188 B7R1.4 O=C1CCCC1=O AC2232 [0,0,0,0,1,0|1,0,1]=3 189 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,0,0,0,1,0|1,0,2]=4 190 B9R1.48 CN1CCCC[C@H](N)C1 AT11195 [0,0,0,0,0,1|2,0,1]=4 191 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,0,0,0,0,1|1,0,0]=2 192 B9R1.48 C[C@H]1CN(C)CCCN1 90920 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,0,0,0,0,1|2,0,1]=4 194 B6R0.1 C=C[C@@H](C)CCC T72328 [1,0,1,0,0,0|0,0,1]=3 195 B6R0.1 CCC[C@H](C)CBr S11885 [1,0,1,0,0,0|1,0,0]=3 196 B6R0.1 CCNC(=O)OC C16084 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.1 CC[C@H](N)COC D87652 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.1 CC[C@H](N)COC D87653 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.1 CNC[C@@H](C)CN T70175 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.1 COCC(=O)CCl D85993 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.1 COCC(=O)OC F53343 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.1 COC[C@@H](C)CO O10176 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.1 C[C@H](CN)CCO AT20757 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.1 C[C@H](CO)CCO 96740 [1,0,1,0,0,0|1,0,1]=4 205 B6R0.2 CC(C)C[C@H](C)N 90224 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.4 C=C(C)CCCO 71061 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.4 CC(C)CCNN AC3937 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.4 CC(C)OCCS AT13760 [1,0,1,0,0,0|1,1,0]=4 209 B6R0.4 CCNCC(=O)O T72729 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.4 CCNC[C@H](C)O 91070 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.4 CCONC(C)=O AT24904 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.4 CNCCC(N)=O C78256 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.4 COCOC(C)=O D72003 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.4 C[C@H](N)CCCO AT20758 [1,0,1,0,0,0|1,0,1]=4 215 B6R0.4 C[C@H](O)CCCBr A11305 [1,0,1,0,0,0|2,0,0]=4 216 B6R0.4 C[C@H](O)CCCN AT20756 [1,0,1,0,0,0|2,0,0]=4 217 B6R0.4 NC(=O)CCCO AT20755 [1,0,1,0,0,0|2,0,0]=4 218 B6R0.4 NCCCC(=O)O T70552 [1,0,1,0,0,0|2,0,0]=4 219 B6R0.4 NCCCC(N)=O AC5898 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.6 CCNCCSC AT25567 [1,0,1,0,0,0|2,0,0]=4 221 B6R0.6 CNCCCOC F15969 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.6 COCCCCN C77605 [1,0,1,0,0,0|2,0,0]=4 223 B6R0.6 C\C=C/CCCCl T71143 [1,0,1,0,0,0|1,0,1]=4 224 B6R0.6 O=CNCCCO AC9004 [1,0,1,0,0,0|2,0,0]=4 225 B6R0.6 [2H]OCCCCC D99155 [1,0,1,0,0,0|2,0,0]=4 226 B6R1.1 C1CCNCC1 S11730 [2,0,0,0,0,0|1,0,0]=3 227 B6R1.1 C1CCONC1 P10408 [2,0,0,0,0,0|2,0,0]=4 228 B6R1.1 C1CNCOC1 C72764 [2,0,0,0,0,0|2,0,0]=4 229 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,1,0,0,0|1,0,0]=3 230 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,1,0,0,0|1,0,0]=3 231 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,1,1,0,0,0|1,0,0]=3 232 B8R0.5 CC(C)OC(=O)OCI D73860 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.5 CCCC(=O)CC(C)C T72726 [0,1,1,0,0,0|0,0,0]=2 234 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,1,1,0,0,0|1,0,0]=3 235 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,1,1,0,0,0|2,0,0]=4 236 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,1,1,0,0,0|2,0,0]=4 237 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,1,1,0,0,0|1,0,0]=3 238 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,1,1,0,0,0|1,0,0]=3 239 B8R0.19 CCC(C)CC(N)CO AT16871 [0,1,1,0,0,0|1,0,1]=4 240 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,1,0,0,0|1,0,0]=3 241 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,1,0,0,0|0,0,0]=2 243 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,1,0,0,0|2,0,0]=4 244 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [0,1,1,0,0,0|1,0,1]=4 245 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,1,1,0,0,0|1,0,0]=3 246 B8R0.34 [2H]C([2H])(CC)CC(=O)O D98646 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,1,0,0,0|0,0,2]=4 248 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,1,0,0,0|2,0,0]=4 249 B8R0.6 COC(=O)NCCCN AT13710 [0,1,1,0,0,0|2,0,0]=4 250 B8R0.7 CC(=O)NCCCCN S12336 [0,1,1,0,0,0|1,0,0]=3 251 B8R0.7 CCCCC#CC(=O)O T71801 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.7 CCCCNCC(=O)O D87235 [0,1,1,0,0,0|1,0,0]=3 253 B8R0.7 CNCCCCN(C)C F51688 [0,1,1,0,0,0|2,0,0]=4 254 B8R0.7 CNCCCNC(C)=O C78307 [0,1,1,0,0,0|1,0,0]=3 255 B8R0.7 NC(=O)CCCCCO AC6170 [0,1,1,0,0,0|1,0,0]=3 256 B8R0.7 O=C(O)CCOCCBr C70446 [0,1,1,0,0,0|2,0,0]=4 257 B8R0.7 O=C(O)CCOCCO C70447 [0,1,1,0,0,0|2,0,0]=4 258 B8R0.8 CC(=O)N(C)CCCN C78500 [0,1,1,0,0,0|2,0,0]=4 259 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,1,1,0,0,0|1,0,1]=4 260 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,1,1,0,0,0|1,0,0]=3 261 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,1,1,0,0,0|2,0,0]=4 262 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,1,1,0,0,0|2,0,0]=4 263 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,1,1,0,0,0|0,0,2]=4 264 B8R0.9 CCC(C)CCC(C)N C14677 [0,1,1,0,0,0|1,0,1]=4 265 B8R0.21 CC(C)(C)OCCC=O AT13970 [0,1,1,0,0,0|1,0,0]=3 266 B8R0.21 CS(=O)(=O)CCCCN AT13641 [0,1,1,0,0,0|2,0,0]=4 267 B8R0.28 C=C(C)CCCC(C)C T70747 [0,1,1,0,0,0|1,0,0]=3 268 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,1,1,0,0,0|0,0,1]=3 269 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,1,1,0,0,0|1,0,0]=3 270 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,1,1,0,0,0|1,0,0]=3 271 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,1,1,0,0,0|0,0,2]=4 272 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,1,1,0,0,0|0,0,2]=4 273 B8R0.28 CN(C)CCCC(=O)O A11102 [0,1,1,0,0,0|1,0,0]=3 274 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,1,0,0,0|2,0,0]=4 275 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,1,0,0,0|2,0,0]=4 276 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,1,0,0,0|1,0,1]=4 277 B8R0.3 CCCC(C)C(C)CC T71461 [0,1,1,0,0,0|1,0,1]=4 278 B8R0.3 CCCC(C)C(N)CO AT16873 [0,1,1,0,0,0|0,0,2]=4 279 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,1,0,0,0|2,0,0]=4 280 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,1,0,0,0|2,0,0]=4 281 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,1,0,0,0|2,0,0]=4 282 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,1,0,0,0|2,0,0]=4 283 B8R0.22 CCC[C@H](CC)CNN AC5378 [0,1,1,0,0,0|2,0,0]=4 284 B8R1.2 BrCC1CCNCC1 30601 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,1,0,0,0,0|1,0,1]=4 286 B8R1.2 CC[C@H]1CNCCO1 D75750 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.2 CC[C@H]1COCCN1 F19074 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.2 CNC1CCCCC1 S12279 [1,1,0,0,0,0|0,0,1]=3 289 B8R1.2 CNC1CCNCC1 63132 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.2 CNC1CCSCC1 AT10410 [1,1,0,0,0,0|1,0,1]=4 291 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [1,1,0,0,0,0|0,0,1]=3 292 B8R1.2 CSC1CCNCC1 32247 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.2 CSC1CCNCC1 P10626 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.2 ClC[C@H]1CNCCO1 F13328 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.2 ICC1CCNCC1 AC3914 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.2 N#C[C@H]1CCCOC1 94853 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [1,1,0,0,0,0|0,0,1]=3 298 B8R1.2 NC[C@H]1CCC=CO1 P10036 [1,1,0,0,0,0|1,0,1]=4 299 B8R1.2 NN[C@H]1CCCOC1 C93323 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.2 NO[C@H]1CCCOC1 97661 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.2 O=CC1CCNCC1 62056 [1,1,0,0,0,0|1,0,1]=4 302 B8R1.2 OC[C@H]1CNCCN1 I11797 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.2 OC[C@H]1COCCO1 D82528 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.2 SCC1CCOCC1 P16932 [1,1,0,0,0,0|1,0,1]=4 305 B8R1.3 C=C1CCC(=O)CC1 57377 [1,1,0,0,0,0|0,0,1]=3 306 B8R1.3 CC1CCN(N)CC1 F13743 [1,1,0,0,0,0|1,0,1]=4 307 B8R1.3 CC1CNC(C)CN1 AC2834 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.3 CC1CNC(C)CN1 AT23784 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.3 CC1COC(C)CN1 F12415 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.3 CN1CCC(Br)CC1 AC6332 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.3 CN1CCC(I)CC1 D97152 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.3 CN1CCC(S)CC1 AT13364 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [1,1,0,0,0,0|0,0,1]=3 314 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.3 O=C1CCC(Br)CC1 C77503 [1,1,0,0,0,0|0,0,0]=2 320 B8R1.3 OC1CCC(Br)CC1 P19527 [1,1,0,0,0,0|0,0,2]=4 321 B8R1.5 C=C1CCCNC1=O D80229 [1,1,0,0,0,0|1,0,1]=4 322 B8R1.5 CC1CCNCC1O 38881 [1,1,0,0,0,0|1,0,1]=4 323 B8R1.5 CC1COCCC1N F13602 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.5 CC1NCCCC1O W19147 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.5 CC1NCCSC1C AT25273 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.5 CN1CCCCC1=O C16744 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.5 CN1CCSCC1=O AT12016 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [1,1,0,0,0,0|1,0,1]=4 329 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [1,1,0,0,0,0|1,0,1]=4 333 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.5 NC1CC=CCC1N F16270 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.5 NC1CC=CCC1N F16271 [1,1,0,0,0,0|1,0,1]=4 337 B8R1.5 NC1CCCCC1O F13372 [1,1,0,0,0,0|0,0,2]=4 338 B8R1.5 NC1CCOCC1O AT20154 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [1,1,0,0,0,0|1,0,1]=4 340 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [1,1,0,0,0,0|0,0,2]=4 341 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16350 [1,1,0,0,0,0|1,0,1]=4 342 B8R1.5 N[C@H]1CC=CC[C@H]1N F14765 [1,1,0,0,0,0|1,0,1]=4 343 B8R1.5 N[C@H]1CC=CC[C@H]1N F16267 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.5 O=C1CCCC=C1I 62778 [1,1,0,0,0,0|0,0,2]=4 349 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.5 O=C1CCNC[C@@H]1F P11685 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.72 CC1(C)CCCCN1 AT24213 [1,1,0,0,0,0|1,0,1]=4 354 B8R1.72 CC1(C)CCCNC1 F30179 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.72 CC1(C)COCCN1 S10178 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.72 CC1(N)CCCCC1 W10115 [1,1,0,0,0,0|0,0,1]=3 357 B8R1.72 CC1(N)CCNCC1 D75159 [1,1,0,0,0,0|1,0,1]=4 358 B8R1.72 FC1(F)CCCNC1 W16714 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.72 N=S1(=O)CCCCC1 AT11345 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.72 N=S1(=O)CCNCC1 AT25289 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.72 N=S1(=O)CCOCC1 AT25738 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [0,1,0,0,1,0|1,0,1]=4 363 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,0,1,0|1,0,0]=3 364 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,0,1,0|0,0,0]=2 365 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,0,1,0|1,0,0]=3 366 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,1,0,0,1,0|2,0,0]=4 367 B8R1.1 CN1CC[C@H](CCl)C1 AC6371 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,0,1,0|1,0,0]=3 369 B8R1.1 NCC1CCC(F)C1 D72883 [0,1,0,0,1,0|1,0,1]=4 370 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,1,0,0,1,0|2,0,0]=4 371 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,1,0,0,1,0|2,0,0]=4 372 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,0,1,0|1,0,0]=3 373 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,0,1,0|1,0,0]=3 374 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,0,1,0|0,0,0]=2 375 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,0,1,0|1,0,0]=3 376 B8R1.1 OCC1CCC(F)C1 AT22250 [0,1,0,0,1,0|1,0,1]=4 377 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,0,1,0|1,0,0]=3 378 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,0,1,0|1,0,0]=3 379 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,0,1,0|1,0,0]=3 380 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,0,1,0|2,0,0]=4 381 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,0,1,0|1,0,0]=3 383 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,1,0,0,1,0|1,0,0]=3 385 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,1,0,0,1,0|1,0,0]=3 386 B8R1.51 N[C@H]1CCS(=O)(=O)C1 P10035 [0,1,0,0,1,0|2,0,0]=4 387 B8R1.51 O=S1(=O)CC[C@H](Br)C1 AC8639 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,1,0,0,1,0|1,0,0]=3 389 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,1,0,0,1,0|0,0,0]=2 390 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [0,1,0,0,1,0|1,0,1]=4 391 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [0,1,0,0,1,0|0,0,2]=4 392 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [0,1,0,0,1,0|0,0,2]=4 393 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [0,1,0,0,1,0|0,0,2]=4 394 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,1,0,0,1,0|1,0,1]=4 395 B8R1.19 CC1(C)CCC[C@@H]1N P20914 [0,1,0,0,1,0|1,0,1]=4 396 B8R1.19 C[C@H]1CCOS1(=O)=O D76949 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.8 CC1CC(C)CC(C#N)C1 F53847 [0,2,0,0,0,0|1,0,1]=4 399 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.10 NCCN1CCNC(=O)C1 AT13739 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.10 O=C1CN(CCO)CCN1 AC1818 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.30 C[C@H]1CCC(Cl)=C(C#N)C1 57550 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.30 C[C@H]1CCC(Cl)=C(C=O)C1 AC9741 [0,2,0,0,0,0|0,0,1]=3 404 B10R1.113 CC(=O)N1CCC[C@H](N)C1 C14349 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.113 CC(C)N1CCCC(=O)C1 62868 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.113 CC(C)[C@@H]1CC(=O)CCN1 70965 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.113 CN(C)C1=CC(=O)CCC1 AB10319 [0,2,0,0,0,0|0,0,2]=4 412 B10R1.113 CN(C)[C@H]1CCCC(=O)C1 D73606 [0,2,0,0,0,0|0,0,0]=2 413 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,2,0,0,0,0|1,0,1]=4 415 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.113 O=C1COC[C@@H](B(O)O)C1 91458 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.171 CC1(C)CCC[C@H](C=O)C1 AT26803 [0,2,0,0,0,0|0,0,1]=3 418 B10R1.171 NC[C@H]1CCCC(F)(F)C1 P17303 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.172 NC[C@H]1CCC[C@@H](CN)C1 T70031 [0,2,0,0,0,0|1,0,1]=4 420 B10R1.176 CN1CC[C@H](CN)CC1=O P12007 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.485 C[C@]1(C#N)CCCC(=O)C1 D77342 [0,2,0,0,0,0|0,0,0]=2 422 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,2,0,0,0,0|1,0,0]=3 423 B10R1.329 CC1CC(Br)CC(C)(C)C1 AT10305 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.329 CC1CC(N)CC(C)(C)C1 A12109 [0,2,0,0,0,0|1,0,1]=4 425 B10R1.120 CN1CC[C@H](N)C(C)(C)C1 F50312 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.147 CC1(C)CO[C@@H](F)C(=O)N1 W16485 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,2,0,0,0,0|0,0,2]=4 428 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,0,1,1,0,0|2,0,0]=4 429 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,0,1,1,0,0|0,0,2]=4 430 B8R1.34 CC(=O)NC1CNC1 33732 [0,0,1,1,0,0|2,0,0]=4 431 B8R1.34 CC(=O)SC1CNC1 P12390 [0,0,1,1,0,0|2,0,0]=4 432 B8R1.34 C[C@H](N)CC1CCC1 55436 [0,0,1,1,0,0|1,0,1]=4 433 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,1,1,0,0|1,0,0]=3 434 B8R1.34 O=C(O)CC1CNC1 A50755 [0,0,1,1,0,0|2,0,0]=4 435 B8R1.34 O=C(O)CC1CNC1 P10897 [0,0,1,1,0,0|2,0,0]=4 436 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,1,1,0,0|1,0,0]=3 437 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,0,1,1,0,0|2,0,0]=4 438 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,1,1,0,0|1,0,1]=4 439 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,1,1,0,0|1,0,0]=3 440 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,1,1,0,0|1,0,0]=3 441 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,0,1,1,0,0|1,0,0]=3 442 B8R1.7 CC(C)C1CCCC1 T72412 [0,0,1,1,0,0|1,0,1]=4 443 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [0,0,1,1,0,0|1,0,1]=4 444 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [0,0,1,1,0,0|1,0,1]=4 445 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,0,1,1,0,0|1,0,1]=4 446 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,0,1,1,0,0|1,0,1]=4 447 B8R1.7 N=C(N)C1CCCC1 71790 [0,0,1,1,0,0|2,0,0]=4 448 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,0,1,1,0,0|2,0,0]=4 449 B8R1.7 NC(=S)C1CCCC1 N13298 [0,0,1,1,0,0|1,1,0]=4 450 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,0,1,1,0,0|2,0,0]=4 451 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,1,1,0,0|2,0,0]=4 452 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,1,1,0,0|2,0,0]=4 453 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,1,1,0,0|1,0,1]=4 454 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,1,1,0,0|2,0,0]=4 455 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,1,1,0,0|0,0,2]=4 456 B8R1.8 C=CC[C@H]1CCCN1 N15483 [0,0,1,1,0,0|2,0,0]=4 457 B8R1.8 CCCC1=NCCO1 T72500 [0,0,1,1,0,0|1,0,1]=4 458 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,1,1,0,0|1,0,1]=4 459 B8R1.8 CNCC1CCCC1 A11546 [0,0,1,1,0,0|2,0,0]=4 460 B8R1.8 NCCC1CCCC1 23497 [0,0,1,1,0,0|1,0,1]=4 461 B8R1.8 O=CCN1CCCC1 AC9721 [0,0,1,1,0,0|1,0,0]=3 462 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,1,1,0,0|2,0,0]=4 463 B8R1.66 CC1(CC=O)CCC1 P20317 [0,0,1,1,0,0|0,0,0]=2 464 B8R2.2 CC12CCCC1O2 AT16552 [1,0,0,1,0,0|1,0,1]=4 465 B8R2.2 C[C@]12CCCC1O2 F50046 [1,0,0,1,0,0|1,0,1]=4 466 B8R2.34 C1=CC2CC1CN2 F13786 [1,0,0,1,0,0|1,0,1]=4 467 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [1,0,0,1,0,0|1,0,1]=4 468 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [1,0,0,1,0,0|1,0,1]=4 469 B8R2.34 C1CC2CCC1O2 T72216 [1,0,0,1,0,0|0,0,2]=4 470 B8R2.34 C1CN2CCC1C2 F15254 [1,0,0,1,0,0|1,0,1]=4 471 B8R2.34 C1NC2CNC1C2 F18865 [1,0,0,1,0,0|2,0,0]=4 472 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [1,0,0,1,0,0|2,0,0]=4 473 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [1,0,0,1,0,0|2,0,0]=4 474 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [1,0,0,1,0,0|2,0,0]=4 475 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [1,0,0,1,0,0|0,0,0]=2 476 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [1,0,0,1,0,0|1,0,0]=3 477 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [1,0,0,1,0,0|0,0,2]=4 478 B10R2.71 OC1CC2CCC(C1)C2 54788 [0,0,0,1,0,1|0,0,2]=4 479 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,1,0,1|0,0,0]=2 480 B10R2.20 CN1C2CCC1C(=O)C2 F13958 [0,1,0,1,0,0|0,0,0]=2 481 B10R2.109 OCC1CCC2CC2C1 AT14844 [0,1,0,1,0,0|0,0,2]=4 482 B10R2.408 C1CC2CNCC(C1)C2 32763 [0,1,0,1,0,0|1,0,1]=4 483 B10R2.534 O=C1CNCC2(CC2)N1 82061 [0,1,0,1,0,0|2,0,0]=4 484 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [0,1,0,1,0,0|1,0,0]=3 485 B10R2.28 O=S1(=O)C[C@@H]2C[C@H]1CN2 P18450 [0,1,0,1,0,0|2,0,0]=4 486 B10R2.60 O=C1CC2CC1CC2=O AC5793 [0,1,0,1,0,0|0,0,1]=3 487 B10R2.60 OC1CC2CC1CC2O AC6415 [0,1,0,1,0,0|0,0,2]=4 488 B10R3.38 C1C[C@@H]2C[C@H]1C3OC32 T72214 [0,0,0,2,0,0|0,0,2]=4 489 B6R0.3 C=CC(=O)C(C)C C77506 [0,0,1,0,1,0|0,0,2]=4 490 B6R0.3 CCC(C)C(C)N 78513 [0,0,1,0,1,0|1,0,1]=4 491 B6R0.3 CC[C@H](N)C(C)C 74049 [0,0,1,0,1,0|1,0,1]=4 492 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,0,1,0,1,0|2,0,0]=4 493 B6R0.3 CN(C)C(=O)CS AT25548 [0,0,1,0,1,0|2,0,0]=4 494 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,0,1,0,1,0|2,0,0]=4 495 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,0,1,0|1,0,0]=3 496 B6R1.2 FC1CCCC1 T71800 [1,0,0,0,1,0|1,0,0]=3 497 B6R1.2 F[C@H]1CCNC1 FD10498 [1,0,0,0,1,0|2,0,0]=4 498 B6R1.2 O=C1CCON1 A11072 [1,0,0,0,1,0|2,0,0]=4 499 B6R1.2 O=C1CNCN1 C15062 [1,0,0,0,1,0|2,0,0]=4 500 B6R1.4 CC1CCC1N W15200 [0,0,0,0,2,0|1,0,1]=4 501 B6R1.5 C[C@H]1CC(=O)N1 D72859 [0,0,0,0,2,0|1,0,0]=3 502 B6R1.5 NC1CC(=O)C1 D78737 [0,0,0,0,2,0|1,0,0]=3