0 B8R1.1 C=C[C@@H]1CNC(=S)O1 41767 [0,0,0,0,0,0|1,1,2]=4 1 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 CCC1=NN=C(Br)O1 AT16432 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CCC1=NN=C(Cl)O1 AT18833 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CCC1=NN=C(N)O1 VT1414 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CCC1=NN=C(O)O1 AT18768 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.1 CCN1CC[C@H](N)C1 P11185 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CCN1CC[C@H](N)C1 P12169 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CCN1CC[C@H](N)C1 P12170 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.1 CN1CC[C@H](CCl)C1 AC6371 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.1 N#CC1=CC(=O)CC1 F18198 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 NCC1CCC(F)C1 D72883 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 OCC1CCC(F)C1 AT22250 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,0,0|1,0,2]=4 26 B7R1.1 CCC1CCCC1 T71889 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 CN[C@H]1CCNC1 C14692 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 CN[C@H]1CCOC1 P13110 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 CN[C@H]1CCOC1 P13111 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 CN[C@H]1CCSC1 D72867 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 ClC[C@H]1CCCN1 87778 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 ClC[C@H]1CCCN1 D76474 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 ClC[C@H]1CCOC1 N12624 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 FC[C@H]1CCCN1 AT24807 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 FC[C@H]1CCCN1 P12668 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 NC[C@H]1CCCN1 C16283 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 NC[C@H]1CCCN1 FD10638 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 NC[C@H]1CCCN1 S10708 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 NC[C@H]1CCOC1 68889 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.2 O=C1CCC(=S)N1 N13285 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [0,1,0,0,0,0|1,0,0]=2 58 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT10063 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT13573 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.7 N#CC[C@H]1CCC(=O)N1 AT14425 [0,1,0,0,0,0|1,0,1]=3 61 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC5827 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC7387 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.35 CC(=O)N1CCC(=O)C1 C74751 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.35 CC(C)[C@@H]1CC(=O)CN1 94320 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.35 O=C1C[C@H](C(F)F)CN1 AT19181 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 W19722 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.125 C[C@@]1(C=O)CCC(=O)N1 P15163 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.125 C[C@]1(CN)CCC(=O)N1 AT19164 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.125 C[C@]1(CN)CCC(=O)N1 P12541 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.125 C[C@]1(CO)CCC(=O)N1 P12670 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.125 C[C@]1(CO)COC(=O)N1 AT13637 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94190 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.132 C=C[C@@H]1CCC(=O)N1C 94195 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.132 CN1C(=O)CC[C@H]1C#N F13273 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.132 CN1C(=O)CC[C@H]1C=O 94189 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.132 CN1C(=O)CC[C@H]1C=O 94194 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.133 CC1(C)CC[C@H](CN)O1 AT14195 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.133 NC[C@H]1CCS(=O)(=O)C1 P10243 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.133 O=S1(=O)CC[C@H](CCl)C1 AT13050 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,0,1,0,0,0|2,0,0]=3 85 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,0,1,0,0,0|2,0,0]=3 86 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,0,1,0,0,0|1,0,2]=4 89 B7R0.3 CCC(=O)OCOC D72002 [0,0,1,0,0,0|1,0,0]=2 90 B7R0.3 CCCNC(=O)CN C78397 [0,0,1,0,0,0|2,0,0]=3 91 B7R0.3 CCONC(=O)CN AT14835 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.3 CC[C@H](O)CCC#N F51112 [0,0,1,0,0,0|1,0,1]=3 93 B7R0.3 CNC(=O)NCCO AT23083 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.3 CNC(=O)OCCO AT13707 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.3 COC(=O)CCCN 32601 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.3 COC(=O)NCCN AT13709 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.4 C#CCNCC(=O)O AT20711 [0,0,1,0,0,0|1,0,2]=4 99 B7R0.4 C#CCOCC(=O)O AT18966 [0,0,1,0,0,0|1,0,2]=4 100 B7R0.4 C#CCSCC(=O)O AT18970 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.4 C=CCOCC(=O)O D77063 [0,0,1,0,0,0|1,0,2]=4 102 B7R0.4 CC(=O)NCCCN AR2174 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.4 CCCCCC(N)=S W19000 [0,0,1,0,0,0|1,1,0]=3 104 B7R0.4 CCNCCC(N)=O A11725 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.4 CC\C=C/CC(=O)O F18341 [0,0,1,0,0,0|0,0,2]=3 106 B7R0.4 CNCCCC(N)=O AB11605 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.4 CNCCNC(C)=O C77870 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 COCCC[N+](=O)[O-] E70181 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.4 COC\C=C\C(=O)O P17072 [0,0,1,0,0,0|1,0,2]=4 110 B7R0.4 C[S@](=O)CCCCN 13216 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.4 NC(=O)CCCCBr AC9465 [0,0,1,0,0,0|2,0,0]=3 112 B7R0.4 NC(=O)CCCCCl AC5718 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 NCCCCC(N)=O AC3685 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.4 NCCSCC(=O)O AT25571 [0,0,1,0,0,0|2,0,0]=3 115 B7R0.4 O=C(Cl)COCCCl AT18762 [0,0,1,0,0,0|3,0,0]=4 116 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,1,0,0|2,0,0]=3 117 B9R2.39 NC1CC2CCC1C2 F30523 [0,0,0,1,0,0|2,0,1]=4 118 B9R2.39 NC1CC2CCC1O2 P12536 [0,0,0,1,0,0|2,0,1]=4 119 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,0,0,1,0,0|2,0,1]=4 120 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,0,0,1,0,0|2,0,1]=4 121 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,0,0,1,0,0|2,0,1]=4 122 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,1,0,0|0,0,0]=1 123 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.8 CN1CC[C@@H]1CN P13167 [0,0,0,0,1,0|3,0,0]=4 125 B7R1.8 CN1CC[C@@H]1CN P13169 [0,0,0,0,1,0|3,0,0]=4 126 B7R1.8 CN1CC[C@@H]1CN P15774 [0,0,0,0,1,0|3,0,0]=4 127 B7R1.8 CN1CC[C@@H]1CN P15856 [0,0,0,0,1,0|3,0,0]=4 128 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,0,0,0,1,0|1,0,1]=3 129 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,0,0,0,1,0|1,0,2]=4 130 B7R1.10 C=C[C@@H]1CC(=O)N1 AT19037 [0,0,0,0,1,0|1,0,2]=4 131 B7R1.10 CCC1CC(=O)C1 P12513 [0,0,0,0,1,0|1,0,0]=2 132 B7R1.10 NCC1CC(=O)C1 A12025 [0,0,0,0,1,0|2,0,0]=3 133 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,0,0,0,0,1|1,0,0]=2 135 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.1 NC[C@H]1CNC(=O)CO1 W10862 [0,0,0,0,0,1|2,0,0]=3 137 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,0,0,0,0,1|1,0,0]=2 139 B9R1.2 CC[C@H]1COC[C@H](C)N1 F18905 [0,0,0,0,0,1|2,0,1]=4 140 B9R1.2 COC1=CC(=O)CCC1 63648 [0,0,0,0,0,1|2,0,1]=4 141 B6R0.1 C=CC[C@H](O)CN AT10905 [1,0,1,0,0,0|1,0,1]=4 142 B6R0.1 CCNC(=O)OC C16084 [1,0,1,0,0,0|2,0,0]=4 143 B6R0.1 CCOC(=N)CCl AC8745 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.1 CCOC(=S)SC AC9840 [1,0,1,0,0,0|1,1,0]=4 145 B6R0.1 CC[C@H](N)CCO AT22371 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.1 CC[C@H](O)CC#N A50899 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.1 COCC(=O)CCl D85993 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.1 COCC(=O)OC F53343 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.1 O[C@H](CCl)CCCl T70626 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CC#CCC(=O)O AT21835 [1,0,1,0,0,0|0,0,2]=4 151 B6R0.4 CCNCC(=O)O T72729 [1,0,1,0,0,0|1,0,0]=3 152 B6R0.4 CCONC(C)=O AT24904 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.4 CNCCC(N)=O C78256 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.4 COCOC(C)=O D72003 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.4 C[C@H](O)CCC#N F51113 [1,0,1,0,0,0|1,0,1]=4 156 B6R0.4 C[C@H](O)CCCBr A11305 [1,0,1,0,0,0|1,0,1]=4 157 B6R0.4 C[C@H](O)CCCN AT20756 [1,0,1,0,0,0|1,0,1]=4 158 B6R0.4 NC(=O)CCCO AT20755 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.4 NCCCC(=O)O T70552 [1,0,1,0,0,0|1,0,0]=3 160 B6R0.4 NCCCC(N)=O AC5898 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.4 NOCCC(=O)O AT14539 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 O=C(Cl)OCCF AT25498 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.6 O=CNCCCO AC9004 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.6 [2H]OCCCCC D99155 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.9 CCC(OC)OC D87756 [1,0,1,0,0,0|1,0,1]=4 166 B6R0.9 CC[C@H](C#N)C=O 81909 [1,0,1,0,0,0|1,0,1]=4 167 B6R1.2 C[C@H]1CCNC1 71655 [2,0,0,0,0,0|2,0,0]=4 168 B6R1.2 O=C1CCON1 A11072 [2,0,0,0,0,0|2,0,0]=4 169 B6R1.2 O=C1CNCN1 C15062 [2,0,0,0,0,0|2,0,0]=4 170 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,1,0,0,0|2,0,0]=4 171 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,1,0,0,0|2,0,0]=4 172 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,1,1,0,0,0|0,0,0]=2 173 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,1,0,0,0|2,0,0]=4 174 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,1,0,0,0|2,0,0]=4 175 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,1,0,0,0|2,0,0]=4 176 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,1,0,0,0|2,0,0]=4 178 B8R0.6 CNC(=O)OCCCN AT13711 [0,1,1,0,0,0|1,0,0]=3 179 B8R0.6 COC(=O)NCCCN AT13710 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.8 C=C(C)C(=O)OCCBr T70933 [0,1,1,0,0,0|1,0,1]=4 181 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,1,0,0,0|1,0,0]=3 182 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,1,0,0,0|2,0,0]=4 184 B8R0.7 CC(=O)NCCCCN S12336 [0,1,1,0,0,0|2,0,0]=4 185 B8R0.7 CCCCC#CC(=O)O T71801 [0,1,1,0,0,0|0,0,1]=3 186 B8R0.7 CCCCNCC(=O)O D87235 [0,1,1,0,0,0|0,0,0]=2 187 B8R0.7 CNCCCNC(C)=O C78307 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.7 NC(=O)CCCCCO AC6170 [0,1,1,0,0,0|1,0,0]=3 189 B8R0.7 O=C(O)CCOCCBr C70446 [0,1,1,0,0,0|1,0,0]=3 190 B8R0.7 O=C(O)CCOCCO C70447 [0,1,1,0,0,0|1,0,0]=3 191 B8R0.7 O=CNCCCC(=O)O AB3831 [0,1,1,0,0,0|1,0,1]=4 192 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,1,1,0,0,0|1,0,1]=4 193 B8R0.21 COCCCS(=O)(=O)O AC6285 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [0,1,1,0,0,0|1,0,1]=4 195 B8R0.28 C=C(C)CCCC(C)C T70747 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,1,1,0,0,0|1,0,1]=4 197 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,1,1,0,0,0|2,0,0]=4 198 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,1,1,0,0,0|2,0,0]=4 199 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,1,1,0,0,0|0,0,2]=4 200 B8R0.28 CN(C)CCCC(=O)O A11102 [0,1,1,0,0,0|1,0,0]=3 201 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,1,0,0,0,0|0,0,2]=4 202 B8R1.7 CC(C)C1CCCC1 T72412 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [1,1,0,0,0,0|1,0,1]=4 204 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.7 CC(N)C1CCCO1 D75138 [1,1,0,0,0,0|0,0,1]=3 206 B8R1.7 CC(O)C1CCNC1 72765 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.7 CC(O)C1CCNC1 W10547 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [1,1,0,0,0,0|1,0,1]=4 209 B8R1.7 C[C@H](N)C1CCCC1 79900 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.7 C[C@H](N)C1CCCC1 79901 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.7 C[C@H](N)C1CCCO1 79855 [1,1,0,0,0,0|0,0,1]=3 212 B8R1.7 C[C@H](N)C1CCCO1 79856 [1,1,0,0,0,0|0,0,1]=3 213 B8R1.7 C[C@H](N)C1CCCO1 79857 [1,1,0,0,0,0|0,0,1]=3 214 B8R1.7 C[C@H](N)C1CCCO1 79858 [1,1,0,0,0,0|0,0,1]=3 215 B8R1.7 C[C@H](N)C1CCOC1 79845 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.7 C[C@H](N)C1CCOC1 79846 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.7 C[C@H](N)C1CCOC1 79847 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.7 C[C@H](N)C1CCOC1 79848 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.8 CCC[C@H]1CCCN1 N12832 [1,1,0,0,0,0|1,0,1]=4 220 B8R1.8 CCN[C@H]1CCNC1 T71595 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.8 CCN[C@H]1CCNC1 T72393 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.8 CCN[C@H]1CCOC1 P12313 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.8 CNCC1CCCC1 A11546 [1,1,0,0,0,0|1,0,1]=4 224 B8R1.8 COC[C@H]1CCCN1 C77885 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.8 N#CC[C@H]1CCCO1 35201 [1,1,0,0,0,0|0,0,2]=4 226 B8R1.8 NCCC1CCCC1 23497 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.8 NCC[C@H]1CCCO1 AT11471 [1,1,0,0,0,0|0,0,1]=3 228 B8R1.8 OCC[C@H]1CCCO1 56770 [1,1,0,0,0,0|0,0,1]=3 229 B8R1.8 OCC[C@H]1CCNC1 C16745 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.8 OCC[C@H]1CCNC1 D84329 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.11 CC[C@H]1CCNC1=O AT18851 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.52 C[C@]1(CN)CCCO1 38865 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.18 CC1CC(=O)OC1C AC8330 [1,1,0,0,0,0|0,0,0]=2 235 B8R1.18 CC1CC(=O)OC1O S10278 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.18 CC1NC(=O)CC1O 94943 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.51 CC1(C)CC(=O)CO1 P20320 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.51 CC1(C)CC(=O)CS1 31047 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,1,0,0,1,0|2,0,0]=4 242 B10R1.1 NCCN1CCC(=O)CC1 D88106 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.3 CCC1CCC(C=O)CC1 79556 [0,1,0,0,0,1|1,0,1]=4 244 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,1,0,0,0,1|1,0,1]=4 245 B10R1.13 CC(C)C1=NNC(=O)CC1 F12620 [0,1,0,0,0,1|1,0,1]=4 246 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 AT12689 [0,1,0,0,0,1|1,0,0]=3 247 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,1,0,0,0,1|1,0,0]=3 249 B10R1.10 NCCN1CCNC(=O)C1 AT13739 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.10 O=C1CN(CCO)CCN1 AC1818 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.30 CC[C@@H]1NC(=O)CNC1=O D72769 [0,1,0,0,0,1|1,0,1]=4 252 B10R1.113 CC(C)N1CCCC(=O)C1 62868 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.113 CC(C)[C@@H]1CC(=O)CCN1 70965 [0,1,0,0,0,1|1,0,0]=3 254 B10R1.113 CN(C)[C@H]1CCCC(=O)C1 D73606 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 94948 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,2,0,0,0,0|1,0,1]=4 257 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18840 [0,2,0,0,0,0|1,0,1]=4 258 B10R1.54 O=C1CC[C@H](C[N+](=O)[O-])C1 80094 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.94 CCOC1=C(Br)C(=O)CC1 AC9169 [0,2,0,0,0,0|1,0,1]=4 260 B10R1.131 CN1C[C@@H](CCN)CC1=O AT19063 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1O W16067 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.475 CC[C@]1(C)OC(=O)NC1=O D75121 [0,2,0,0,0,0|1,0,1]=4 263 B10R1.36 C=C[C@@H]1CC(C)(C)C(=O)O1 C11643 [0,2,0,0,0,0|0,0,2]=4 264 B10R1.36 CC1(C)C[C@H](CO)NC1=O AT19157 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.55 CC(C)(C)[C@@H]1CNC(=O)C1 94581 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 AT13635 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 AT19173 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.237 CC[C@]1(CN)CCC(=O)N1 AT19170 [0,2,0,0,0,0|1,0,0]=3 269 B8R1.4 CC1CCOS(=O)O1 A12529 [0,0,1,1,0,0|2,0,0]=4 270 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,1,1,0,0|1,0,0]=3 273 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,1,1,0,0|1,0,0]=3 274 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,1,1,0,0|2,0,0]=4 275 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,0,1,1,0,0|1,0,1]=4 277 B8R1.34 CC(=O)NC1CNC1 33732 [0,0,1,1,0,0|2,0,0]=4 278 B8R1.34 CC(=O)SC1CNC1 P12390 [0,0,1,1,0,0|1,1,0]=4 279 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,0,1,1,0,0|2,0,0]=4 280 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,1,1,0,0|2,0,0]=4 281 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,1,1,0,0|2,0,0]=4 282 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,0,1,1,0,0|2,0,0]=4 283 B8R1.2 OCC1=CCCCO1 S11090 [0,0,1,1,0,0|2,0,0]=4 284 B8R1.3 C=C1CCC(=O)CC1 57377 [0,0,1,1,0,0|1,0,1]=4 285 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,1,1,0,0|2,0,0]=4 286 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,1,1,0,0|2,0,0]=4 287 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,1,1,0,0|1,0,0]=3 289 B8R1.3 OC1CCC(Br)CC1 P19527 [0,0,1,1,0,0|1,0,1]=4 290 B8R1.5 CC1NCCCC1O W19147 [0,0,1,1,0,0|1,0,1]=4 291 B8R1.5 CN1CCCCC1=O C16744 [0,0,1,1,0,0|2,0,0]=4 292 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,0,1,1,0,0|2,0,0]=4 293 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,1,1,0,0|0,0,2]=4 297 B8R1.38 CCC(=O)C1CCC1 F53463 [0,0,1,1,0,0|1,0,0]=3 298 B8R1.38 NCC(=O)N1CCC1 C77774 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.41 CCCCC1(O)CC1 AT11369 [0,0,1,1,0,0|1,0,1]=4 300 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,1,1,0,0|1,0,1]=4 302 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,0,1,1,0,0|2,0,0]=4 303 B8R2.34 C1=CC2CC1CN2 F13786 [1,0,0,1,0,0|2,0,0]=4 304 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [1,0,0,1,0,0|2,0,0]=4 305 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [1,0,0,1,0,0|2,0,0]=4 306 B8R2.34 C1CC2CCC1O2 T72216 [1,0,0,1,0,0|0,0,1]=3 307 B8R2.34 C1CN2CCC1C2 F15254 [1,0,0,1,0,0|2,0,0]=4 308 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [1,0,0,1,0,0|1,0,1]=4 309 B8R2.55 C1CNC2(C1)CC2 80414 [1,0,0,1,0,0|1,0,1]=4 310 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [1,0,0,1,0,0|1,0,0]=3 311 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [1,0,0,1,0,0|2,0,0]=4 312 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,1,0,1|1,0,0]=3 313 B10R2.20 CN1C2CCC1C(=O)C2 F13958 [0,0,0,1,0,1|2,0,0]=4 314 B10R2.534 O=C1CNCC2(CC2)N1 82061 [0,0,0,1,0,1|1,0,0]=3 315 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,1,0,1,0,0|0,0,0]=2 316 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [0,1,0,1,0,0|1,0,0]=3 317 B10R2.32 O=C1CCN2CCC[C@@H]12 F14126 [0,1,0,1,0,0|2,0,0]=4 318 B10R2.32 O=C1COC2OCCC12 91362 [0,1,0,1,0,0|2,0,0]=4 319 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [0,1,0,1,0,0|1,0,0]=3 320 B10R2.332 O=C1CC2(CNC2)CN1 AT19155 [0,1,0,1,0,0|2,0,0]=4 321 B10R2.332 O=C1CCC2(CNC2)C1 AT10219 [0,1,0,1,0,0|1,0,0]=3 322 B10R2.332 O=C1NCC2(CNC2)O1 AT10707 [0,1,0,1,0,0|1,0,0]=3 323 B10R2.60 O=C1CC2CC1CC2=O AC5793 [0,1,0,1,0,0|1,0,1]=4 324 B6R0.3 CCC(C)C(C)N 78513 [0,0,1,0,1,0|1,0,1]=4 325 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,0,1,0,1,0|2,0,0]=4 326 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,0,1,0,1,0|2,0,0]=4 327 B6R1.6 ClC[C@H]1CCO1 32069 [1,0,0,0,1,0|1,0,0]=3 328 B6R1.4 CC1CCC1N W15200 [1,0,0,0,1,0|1,0,1]=4 329 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,0,1,0|1,0,0]=3 330 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,0,1,0|2,0,0]=4 331 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,0,2,0|1,0,1]=4 332 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,0,2,0|1,0,1]=4