0 B8R1.50 CC1C(=O)NCC1O 94942 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.50 CC1CCC(C)C1=O F12414 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.50 CN1CCN(C)C1=N AT25107 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.50 O=C1CCC(Br)=C1I 97935 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.50 O=C1CCC(O)=C1F P19516 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.50 O=C1OCC(O)=C1Br D75457 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.50 O[C@H]1CCC(Br)=C1I 97936 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,0,0,0|1,0,1]=3 13 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,0,0,0|1,0,2]=4 15 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,0,0,0|1,0,1]=3 21 B7R1.2 O=C1C=C(O)CN1 F14818 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 O=C1CCC(=S)N1 N13285 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.4 CC1=C(C)CNC1 AT22666 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.37 CN1C(=O)NC(=O)C1=O 74935 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.37 C[C@H]1C(=O)CC(=O)N1C CS3303 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94190 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94195 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.132 CN1C(=O)CC[C@H]1C#N F13273 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.132 CN1C(=O)CC[C@H]1C=O 94189 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.132 CN1C(=O)CC[C@H]1C=O 94194 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.132 CN[C@H]1CCN(C)C1=O AT19093 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.138 CC1(C)CNC(=O)[C@H]1N AT19091 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.138 CC1(C)CNC(=O)[C@H]1O AT19033 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.138 CN1CCC(C)(C)C1=O F18102 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.3 CCCNC(=O)CN C78397 [0,0,1,0,0,0|2,0,1]=4 46 B7R0.3 COC(=O)CCCN 32601 [0,0,1,0,0,0|3,0,0]=4 47 B7R0.10 C=C(CC)C(=O)OC 82635 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,0,1,0,0,0|1,0,0]=2 50 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [0,0,1,0,0,0|2,0,1]=4 51 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,0,1,0,0,0|2,0,1]=4 52 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,0,0,0,0,1|2,0,1]=4 53 B9R1.3 C[C@@H]1NCCN(C)C1=O C14663 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.3 C[C@@H]1NCCN(C)C1=O F53792 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.3 C[C@@H]1NCCN(C)C1=O F53796 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,0,0,0,0,1|2,0,1]=4 57 B9R1.69 CC1=NN(C)C(=O)CC1 N16893 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.69 C[C@@H]1SCC(=O)NC1=O AT25440 [0,0,0,0,0,1|1,0,0]=2 60 B9R1.69 C[C@H]1CN(C)C(=O)CN1 F19683 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10819 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,0,0,0,0,1|1,0,0]=2 63 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,0,0,0,0,1|1,0,0]=2 64 B6R0.1 C=C[C@@H](C)CCC T72328 [1,0,1,0,0,0|1,0,1]=4 65 B6R0.1 CCNC(=O)OC C16084 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.4 C=C(C)CCCO 71061 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.4 CCNCC(=O)O T72729 [1,0,1,0,0,0|1,0,1]=4 68 B6R0.4 CNCCC(N)=O C78256 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.4 NC(=O)CCCO AT20755 [1,0,1,0,0,0|2,0,0]=4 70 B6R0.4 NCCCC(=O)O T70552 [1,0,1,0,0,0|1,0,1]=4 71 B6R0.4 NCCCC(N)=O AC5898 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.6 C=CCCCC=C T72268 [1,0,1,0,0,0|2,0,0]=4 73 B6R0.6 CCO\C=C\C=O F18326 [1,0,1,0,0,0|1,0,1]=4 74 B6R0.6 C\C=C/CCCCl T71143 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.6 O=CNCCCO AC9004 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.3 C=C(CC)C(=O)O 81925 [1,0,1,0,0,0|2,0,0]=4 77 B6R0.3 C=CC(=O)C(C)C C77506 [1,0,1,0,0,0|0,0,1]=3 78 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [1,0,1,0,0,0|1,0,1]=4 79 B6R0.3 CCC(=O)C(N)=S 94003 [1,0,1,0,0,0|1,1,0]=4 80 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,0,1,0,0,0|1,0,1]=4 81 B6R0.3 C[C@@H](CN)C(=O)O 32005 [1,0,1,0,0,0|1,0,1]=4 82 B6R1.2 C[C@H]1CCNC1 71655 [2,0,0,0,0,0|1,0,1]=4 83 B6R1.2 O=C1CCON1 A11072 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 O=C1CNCN1 C15062 [2,0,0,0,0,0|2,0,0]=4 85 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,1,0,0,0|2,0,0]=4 86 B8R0.6 C=CC(=O)NCCCO C77634 [0,1,1,0,0,0|2,0,0]=4 87 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,1,1,0,0,0|2,0,0]=4 88 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,1,1,0,0,0|2,0,0]=4 89 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,1,0,0,0|1,0,1]=4 90 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,1,1,0,0,0|1,0,1]=4 91 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,1,0,0,0|2,0,0]=4 93 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,1,0,0,0|2,0,0]=4 94 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,1,0,0,0|1,0,1]=4 95 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,1,0,0,0|1,0,1]=4 96 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,1,0,0,0,0|0,0,1]=3 98 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,1,0,0,0,0|1,0,0]=3 99 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.1 N#CC1=CC(=O)CC1 F18198 [1,1,0,0,0,0|0,0,2]=4 102 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [1,1,0,0,0,0|1,0,0]=3 105 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [1,1,0,0,0,0|1,0,0]=3 106 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,1,0,0,0,0|0,0,1]=3 107 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.18 CC1CC(=O)OC1C AC8330 [1,1,0,0,0,0|1,0,0]=3 109 B8R1.18 CC1CC(=O)OC1O S10278 [1,1,0,0,0,0|1,0,1]=4 110 B8R1.18 CC1NC(=O)CC1O 94943 [1,1,0,0,0,0|1,0,0]=3 111 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.51 CC1(C)CC(=O)CO1 P20320 [1,1,0,0,0,0|1,0,1]=4 113 B8R1.51 CC1(C)CC(=O)CS1 31047 [1,1,0,0,0,0|1,0,1]=4 114 B8R1.11 CC[C@H]1CCNC1=O AT18851 [1,1,0,0,0,0|1,0,0]=3 115 B8R1.11 CO[C@H]1CCCC1=O AT25997 [1,1,0,0,0,0|0,0,1]=3 116 B8R1.19 C[C@H]1CCOS1(=O)=O D76949 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.119 CN1CCN(C)C(=O)C1=O E72131 [0,1,0,0,0,1|1,0,0]=3 119 B10R1.30 C[C@H]1CCC(Cl)=C(C#N)C1 57550 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.30 C[C@H]1CCC(Cl)=C(C=O)C1 AC9741 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,1,0,0,0,1|1,0,0]=3 122 B10R1.63 C[C@]1(N)CCC(=O)NC1=O AC5324 [0,1,0,0,0,1|0,0,0]=2 123 B10R1.63 O=C1CCC(F)(F)C(=O)O1 80764 [0,1,0,0,0,1|1,0,0]=3 124 B10R1.147 CC1=CC(C)(C)CCC1=O 90811 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.176 CN1CC[C@H](CN)CC1=O P12007 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.94 CCOC1=C(Br)C(=O)CC1 AC9169 [0,2,0,0,0,0|1,0,1]=4 127 B10R1.94 CN1CC[C@H](CCN)C1=O AT19080 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.236 CN1CC[C@](C)(CO)C1=O AT19087 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.2 O=CC1CCNCC1 62056 [0,0,1,1,0,0|2,0,0]=4 131 B8R1.5 C=C1CCCNC1=O D80229 [0,0,1,1,0,0|2,0,0]=4 132 B8R1.5 CN1CCCCC1=O C16744 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,0,1,1,0,0|2,0,0]=4 135 B8R1.5 O=C1CCCC=C1I 62778 [0,0,1,1,0,0|1,0,1]=4 136 B8R1.5 O=C1NCCNC1=O AT12017 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.38 CCC(=O)C1CCC1 F53463 [0,0,1,1,0,0|1,0,1]=4 138 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [1,0,0,1,0,0|0,0,1]=3 139 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [1,0,0,1,0,0|1,0,1]=4 140 B10R2.43 O=C1OC(=O)C2CC1C2 54028 [0,0,0,1,0,1|0,0,0]=2 141 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,1,0,1|1,0,1]=4 142 B6R1.4 CC1CCC1N W15200 [1,0,0,0,1,0|1,0,1]=4 143 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,0,1,0|1,0,0]=3 144 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,0,1,0|1,0,1]=4 145 B8R0.23 CC(C)C(=O)NC(N)=S D86343 [0,0,1,0,0,1|1,1,0]=4 146 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,0,1,0,0,1|1,0,1]=4 147 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,0,0,1|2,0,0]=4 148 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,0,0,1|1,0,1]=4 149 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,0,0,1|0,0,1]=3 150 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,0,0,1|0,0,1]=3 151 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,0,0,1|1,0,0]=3 152 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,0,0,0,0,1|1,0,0]=3 153 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [1,0,0,0,0,1|1,0,1]=4 154 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [1,0,0,0,0,1|1,0,1]=4 155 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,0,0,1|1,0,1]=4 156 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,0,0,1|1,0,1]=4