0 B7R0.1 C=CCSSCCC O398 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 CCCC#CCCC 7932AF [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 CCCC#CCCO 5337AH [0,0,0,0,0,0|0,1,2]=3 3 B7R0.1 CCCCC#CCO V0602 [0,0,0,0,0,0|0,1,2]=3 4 B7R0.1 CCCCCCOC 8052AL [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 CCCCCOC=O 7518AF [0,0,0,0,0,0|1,1,1]=3 6 B7R0.1 CCCCSCCO 5039AL [0,0,0,0,0,0|1,1,0]=2 7 B7R0.1 CCCNCCCN 1645AB [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CCC\C=C/CCC 7451AL [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 CCNCCCCO 2370AE [0,0,0,0,0,0|1,1,0]=2 10 B7R0.1 CC\C=C/CCCO 7447AL [0,0,0,0,0,0|0,1,2]=3 11 B7R0.1 CNCCCCNC 8068AA [0,0,0,0,0,0|3,0,0]=3 12 B7R0.1 COCCCN=C=O X6790 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.1 NCCCNCCN M698 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.1 NCCCNCCO 6154AB [0,0,0,0,0,0|2,1,0]=3 15 B7R0.1 NCCNCCCO 8334AL [0,0,0,0,0,0|2,1,0]=3 16 B7R0.1 OCCNNCCO 1925AB [0,0,0,0,0,0|3,1,0]=4 17 B6R0.6 BrCC[NH2+]CCBr W6266 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 C#CCCCCBr 0285AC [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 C#CCCCCCl Z1919 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.6 C#CCCCCI 1166AQ [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 C=CCCCCCl X6224 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 CCC#CCCO 5338AH [1,0,0,0,0,0|0,1,2]=4 23 B6R0.6 CCCC#CCO V0624 [1,0,0,0,0,0|0,1,2]=4 24 B6R0.6 CCCCSCC 7568AF [1,0,0,0,0,0|1,0,0]=2 25 B6R0.6 CCCNCCO 8316AA [1,0,0,0,0,0|1,1,0]=3 26 B6R0.6 CCSSSCC U690 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 CNCCCCO 5794AB [1,0,0,0,0,0|1,1,0]=3 28 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|0,1,2]=4 29 B6R0.6 ICCOCCI 4098AB [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 NCCOCCN 9093AB [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 SCCCCCS 7344AF [1,0,0,0,0,0|1,0,0]=2 32 B6R0.6 SCCOCCS 5152AL [1,0,0,0,0,0|2,0,0]=3 33 B8R0.1 CCCCC(O)CCC 7995AF [0,1,0,0,0,0|1,0,0]=2 34 B8R0.1 CCCCN(C)CCCl 9577AC [0,1,0,0,0,0|2,0,0]=3 35 B8R0.1 CCCOC(=O)CCC 9026AJ [0,1,0,0,0,0|2,0,1]=4 36 B8R0.1 CCOC(=O)CCCI 1537AC [0,1,0,0,0,0|2,0,1]=4 37 B8R0.4 CCCCCCCCF V6056 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.4 CCCCCCON=O 8053AL [0,1,0,0,0,0|1,1,0]=3 39 B8R0.4 CCCCCOCCO 6511AH [0,1,0,0,0,0|0,1,0]=2 40 B8R0.4 CCCCNCCC#N 8245AE [0,1,0,0,0,0|1,0,1]=3 41 B8R0.4 CCCCNCCCC W7485 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.4 CCCCOCCCN P793 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.4 CCCC\C=C/CCO 7442AL [0,1,0,0,0,0|0,1,1]=3 44 B8R0.4 CCOCCCN=C=S 3867AF [0,1,0,0,0,0|1,0,2]=4 45 B8R0.4 CC\C=C/CCCCO 7454AL [0,1,0,0,0,0|0,1,1]=3 46 B8R0.4 ClCCCCCCCBr 4782AL [0,1,0,0,0,0|1,0,0]=2 47 B8R0.4 ClCCOCOCCCl 8827AC [0,1,0,0,0,0|3,0,0]=4 48 B8R0.4 N#CCCCCCCBr L877 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.6 C#CC(O)CCCCC X7103 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.6 C#CC(O)CCCCC X7104 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.6 CCCCCC(=O)CC 6144AL [0,1,0,0,0,0|1,0,1]=3 52 B8R0.6 CCCCCC(=O)NN 8224AD [0,1,0,0,0,0|2,0,1]=4 53 B8R0.6 CCCCNC(=O)CC 8516AL [0,1,0,0,0,0|2,0,1]=4 54 B8R0.6 COC(=O)CCCCN 3063AB [0,1,0,0,0,0|2,0,1]=4 55 B8R0.6 OCCCCC(O)CO X6223 [0,1,0,0,0,0|1,1,0]=3 56 B8R0.7 CC(=O)NCCCCN 8335AL [0,1,0,0,0,0|2,0,1]=4 57 B8R0.7 CC(=O)OCCCCBr 7492AF [0,1,0,0,0,0|2,0,1]=4 58 B8R0.7 CCCCCCC(=O)[O-] 7832AL [0,1,0,0,0,0|0,1,1]=3 59 B8R0.7 CCCCCCC(C)O Z6063 [0,1,0,0,0,0|0,1,0]=2 60 B8R0.7 NC(=O)CCCCCBr 8542AB [0,1,0,0,0,0|1,1,1]=4 61 B8R0.7 NCCCCCC(=O)O 5982AB [0,1,0,0,0,0|1,1,1]=4 62 B8R0.7 O=C(Cl)CCCCCBr 5957AH [0,1,0,0,0,0|1,1,1]=4 63 B8R1.2 BrCC1CCNCC1 Z2771 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.2 C#CC1CCCCN1 Y6045 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.2 C#CC1CCCNC1 Y6534 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 CCC1CCCCC1 8567AA [0,0,0,1,0,0|1,0,0]=2 67 B8R1.2 CCC1CCNCC1 0192AE [0,0,0,1,0,0|2,0,0]=3 68 B8R1.2 CCC1CNCCO1 V6407 [0,0,0,1,0,0|1,1,0]=3 69 B8R1.2 CC[C@H]1COCCN1 1076AB [0,0,0,1,0,0|2,0,0]=3 70 B8R1.2 CNC1CCOCC1 5124AB [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 CNC1CCOCC1 W4553 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 COC1CCNCC1 V5785 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.2 FCC1CCCNC1 2978AD [0,0,0,1,0,0|2,0,0]=3 74 B8R1.2 ICC1CCCCC1 4784AJ [0,0,0,1,0,0|1,0,0]=2 75 B8R1.2 ICC1CCOCC1 Y6802 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.2 N#CC1CCCNC1 W8644 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.2 NCC1CCCCO1 V7179 [0,0,0,1,0,0|1,1,0]=3 78 B8R1.2 NCC1CCCNC1 U802 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.2 NC[C@H]1COCCO1 8566AH [0,0,0,1,0,0|2,1,0]=4 80 B8R1.2 NNC1CCCCC1 3658AF [0,0,0,1,0,0|2,0,0]=3 81 B8R1.2 NNC1CCOCC1 0074AB [0,0,0,1,0,0|3,0,0]=4 82 B8R1.2 NNC1CCOCC1 X9318 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.2 NNC1CCOCC1 Z3438 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.2 O=CC1CCCOC1 2092AC [0,0,0,1,0,0|1,1,1]=4 85 B8R1.2 O=CC1CCOCC1 X4660 [0,0,0,1,0,0|1,1,1]=4 86 B8R1.2 OCC1CCNCC1 5626AH [0,0,0,1,0,0|1,1,0]=3 87 B8R1.2 OCC1CCSCC1 Y6767 [0,0,0,1,0,0|1,1,0]=3 88 B8R1.2 OCC1CNCCO1 W3143 [0,0,0,1,0,0|2,1,0]=4 89 B8R1.2 OCC1CNCCO1 X8636 [0,0,0,1,0,0|2,1,0]=4 90 B8R1.2 OCC1COCCN1 1479AA [0,0,0,1,0,0|2,1,0]=4 91 B8R1.2 OCC1COCCN1 6468AC [0,0,0,1,0,0|2,1,0]=4 92 B8R1.2 OC[C@@H]1CNCCO1 X9792 [0,0,0,1,0,0|2,1,0]=4 93 B8R1.2 ONC1CCCCC1 1210AB [0,0,0,1,0,0|1,1,0]=3 94 B8R1.2 [C-]#[N+]C1CCCCC1 M219 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.2 [C@@H]1(CC)COCCN1 9533AF [0,0,0,1,0,0|2,0,0]=3 96 B8R1.5 BrC1CCCCC1Br Y5040 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.5 Br[C@H]1CCCC[C@@H]1Br 9187AL [0,0,0,1,0,0|2,0,0]=3 98 B8R1.5 CC1CCCNC1=O Y8918 [0,0,0,1,0,0|1,1,1]=4 99 B8R1.5 CC1CNCCC1=O W6393 [0,0,0,1,0,0|1,1,1]=4 100 B8R1.5 CC1CNCCN1C 9602AH [0,0,0,1,0,0|3,0,0]=4 101 B8R1.5 CC1COCCC1O 2365AJ [0,0,0,1,0,0|1,1,0]=3 102 B8R1.5 C[C@H]1CNCCN1C 6630AB [0,0,0,1,0,0|3,0,0]=4 103 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,0,0,1,0,0|3,0,0]=4 104 B8R1.5 Cl[C@H]1CCCC[C@@H]1Cl 9188AL [0,0,0,1,0,0|2,0,0]=3 105 B8R1.5 N[C@@H]1CCCC[C@@H]1O W4237 [0,0,0,1,0,0|1,1,0]=3 106 B8R1.5 N[C@H]1CCCC[C@@H]1N E396 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.5 N[C@H]1CCCC[C@@H]1O B566 [0,0,0,1,0,0|1,1,0]=3 108 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,0,0,1,0,0|1,1,0]=3 109 B8R1.5 N[C@H]1CCCC[C@H]1O X3115 [0,0,0,1,0,0|1,1,0]=3 110 B8R1.5 OC1CCCCC1Cl 7832AA [0,0,0,1,0,0|1,1,0]=3 111 B8R1.8 CNCC1CCCO1 7539AF [0,0,0,1,0,0|1,1,0]=3 112 B8R1.8 COCC1CCCN1 V2776 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.8 COCC1CCCN1 Y4051 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.8 COC[C@H]1CCCN1 8959AH [0,0,0,1,0,0|2,0,0]=3 115 B8R1.8 N#CCC1CCCC1 5870AE [0,0,0,1,0,0|1,0,1]=3 116 B8R1.8 N#CSC1CCCC1 4959AE [0,0,0,1,0,0|2,0,1]=4 117 B8R1.8 NCCC1CCCC1 W7101 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.8 NCCC1CCCC1 Z5033 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.8 O=C=NC1CCCC1 4108AE [0,0,0,1,0,0|1,1,1]=4 120 B8R1.11 CCC1CCCC1=O 6742AB [0,0,0,1,0,0|0,1,1]=3 121 B8R1.11 CN1CCCC1CN X2049 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.22 BrC1CCCCCC1 1727AB [0,0,0,1,0,0|1,0,0]=2 123 B8R1.22 NC1CCCCNC1 3820AJ [0,0,0,1,0,0|2,0,0]=3 124 B8R1.49 C1=CCCCCCC1 R645 [0,0,0,1,0,0|1,0,1]=3 125 B8R1.49 C1=CCCCCCC1 Z3117 [0,0,0,1,0,0|1,0,1]=3 126 B8R1.49 [CH]1[CH]CCCCCC1 8468AJ [0,0,0,1,0,0|1,0,1]=3 127 B5R0.2 CC#CCCC 7448AF [2,0,0,0,0,0|0,0,2]=4 128 B5R0.2 CCCCON 7308AJ [2,0,0,0,0,0|2,0,0]=4 129 B5R0.2 CCCSSC 8846AJ [2,0,0,0,0,0|2,0,0]=4 130 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|0,0,2]=4 131 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|0,0,2]=4 132 B5R0.2 CNCCSC 7146AJ [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 NCCCCBr 4038AB [2,0,0,0,0,0|2,0,0]=4 134 B5R0.2 NCCCCBr Z4484 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.2 NCCCCCl 9859AB [2,0,0,0,0,0|2,0,0]=4 136 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|0,0,1]=3 137 B7R0.3 CCCCC(Br)CC 6006AL [1,1,0,0,0,0|0,0,0]=2 138 B7R0.3 CCCC[C@@H](N)CO V7833 [1,1,0,0,0,0|0,1,0]=3 139 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|1,0,1]=4 140 B7R0.3 CCOCC(O)CCl 5717AB [1,1,0,0,0,0|2,0,0]=4 141 B7R0.3 OCCCC(O)CO 4412AL [1,1,0,0,0,0|1,1,0]=4 142 B7R0.4 CC(=O)CCCCCl D718 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.4 CC(C)NCCCO 0839AE [1,1,0,0,0,0|1,1,0]=4 144 B7R0.4 CCC#CCC(C)O 6519AL [1,1,0,0,0,0|0,0,2]=4 145 B7R0.4 CCCCSC(C)=O 3195AL [1,1,0,0,0,0|1,0,1]=4 146 B7R0.7 CCCC(C)CC=S U658 [1,1,0,0,0,0|0,0,2]=4 147 B7R0.7 CCCC(C)CCC 6609AL [1,1,0,0,0,0|0,0,0]=2 148 B7R0.7 CCCC(O)CCC 6512AL [1,1,0,0,0,0|0,0,0]=2 149 B7R0.7 CCCC(S)CCO U459 [1,1,0,0,0,0|0,1,0]=3 150 B7R0.7 CCNC(C)CCO 9482AE [1,1,0,0,0,0|1,1,0]=4 151 B7R0.7 CCOC(C)OCC U086 [1,1,0,0,0,0|2,0,0]=4 152 B9R0.5 CCCCCC(O)CCC 6654AL [0,2,0,0,0,0|1,0,0]=3 153 B9R0.18 CCCCC(O)CCCC 6808AL [0,2,0,0,0,0|1,0,0]=3 154 B9R0.18 CCCCS(=O)CCCC S178 [0,2,0,0,0,0|1,0,0]=3 155 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,2,0,0,0,0|1,0,1]=4 156 B9R0.2 CC(C)NCCCCCN 5224AD [0,2,0,0,0,0|1,0,0]=3 157 B9R0.2 CC(C)NCCCCCO 6718AL [0,2,0,0,0,0|0,1,0]=3 158 B9R0.2 CCCCCCCB(O)O Y5025 [0,2,0,0,0,0|0,1,0]=3 159 B9R0.2 CCCCCCCC(C)C 5737AL [0,2,0,0,0,0|1,0,0]=3 160 B9R0.2 CCCCCCCC(N)=O 7980AF [0,2,0,0,0,0|0,1,0]=3 161 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,2,0,0,0,0|0,1,0]=3 162 B9R0.2 CCCCCCOC(C)=O 7968AF [0,2,0,0,0,0|0,1,1]=4 163 B9R0.2 NCCCCCCC(=O)O X4768 [0,2,0,0,0,0|0,1,1]=4 164 B9R0.45 C#CCCCCCCC#C 4688AL [0,2,0,0,0,0|1,0,1]=4 165 B9R0.45 C#CCCCCCCCO X5979 [0,2,0,0,0,0|0,1,0]=3 166 B9R0.45 C=CCCCCCCCCl 1177AF [0,2,0,0,0,0|1,0,0]=3 167 B9R0.45 C=CCCCCCCCO 6910AL [0,2,0,0,0,0|0,1,0]=3 168 B9R0.45 CCC#CCCCCCC 5747AF [0,2,0,0,0,0|1,0,0]=3 169 B9R0.45 CCCCCC#CCCO V0610 [0,2,0,0,0,0|0,1,0]=3 170 B9R0.45 CCCCCCC#CCO V0621 [0,2,0,0,0,0|0,1,0]=3 171 B9R0.45 CCCCCCCCC#N 8127AF [0,2,0,0,0,0|1,0,0]=3 172 B9R0.45 CCCCCCCCCS Q791 [0,2,0,0,0,0|0,0,0]=2 173 B9R0.45 CCCCCC\C=C/CO 7426AL [0,2,0,0,0,0|0,1,0]=3 174 B9R0.45 CCCCC\C=C/CCO 7441AL [0,2,0,0,0,0|0,1,0]=3 175 B9R0.45 CCCNCCNCCC 5593AD [0,2,0,0,0,0|1,0,0]=3 176 B9R0.45 CNCCCCCCNC 5618AA [0,2,0,0,0,0|1,0,0]=3 177 B9R0.45 ICCCCCCCCI 4683AL [0,2,0,0,0,0|1,0,0]=3 178 B9R0.45 ICCOCCOCCI Z2242 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.45 NCCCCNCCCN 7714AH [0,2,0,0,0,0|1,0,0]=3 180 B9R0.45 OCCCCCCCCCl Q040 [0,2,0,0,0,0|0,1,0]=3 181 B9R0.45 SCCCCCCCCS 7639AJ [0,2,0,0,0,0|0,0,0]=2 182 B9R0.46 CCCCCCC(=O)NN 7657AD [0,2,0,0,0,0|0,1,1]=4 183 B9R0.46 CCCCCCC(O)CC 6139AL [0,2,0,0,0,0|0,1,0]=3 184 B9R0.46 COC(=O)CCCCCO 6266AB [0,2,0,0,0,0|0,1,1]=4 185 B9R0.20 CCCCCC(C)(C)CC 5877AL [0,2,0,0,0,0|1,0,0]=3 186 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 4072AL [0,2,0,0,0,0|1,0,0]=3 187 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,2,0,0,0,0|0,1,1]=4 188 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,2,0,0,0,0|0,1,1]=4 189 B9R0.50 CCCCCC(CO)CO 2153AL [0,2,0,0,0,0|0,1,0]=3 190 B9R0.50 CCN(CC)CCCCN 2608AB [0,2,0,0,0,0|2,0,0]=4 191 B9R0.38 CCCCCC[N+](C)(C)C Z3300 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.55 CC(C)CCCCC(=O)O 5715AC [0,2,0,0,0,0|0,1,1]=4 193 B7R1.1 CNC1CCCC1 W8261 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.1 CNC1CCCC1 Z4480 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.1 COC1CCNC1 Z2737 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.1 CO[C@@H]1CCNC1 Z4777 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.1 CO[C@H]1CCNC1 Z5035 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 ICC1CCOC1 3884AL [1,0,0,1,0,0|2,0,0]=4 199 B7R1.1 NCC1CCCC1 W7173 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.1 NCC1CCCN1 W7106 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.1 NCC1CCCN1 W7375 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.1 NC[C@@H]1CCCN1 0819AA [1,0,0,1,0,0|2,0,0]=4 203 B7R1.1 NC[C@H]1CCCN1 Z3950 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.1 NNC1CCCC1 W7612 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.1 OC[C@@H]1CCNC1 4311AA [1,0,0,1,0,0|1,1,0]=4 206 B7R1.1 OC[C@@H]1CCNC1 Z7301 [1,0,0,1,0,0|1,1,0]=4 207 B7R1.1 OC[C@@H]1CCOC1 4598AA [1,0,0,1,0,0|1,1,0]=4 208 B7R1.1 OC[C@H]1CCNC1 1914AA [1,0,0,1,0,0|1,1,0]=4 209 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 BrC1CCOCC1 W4892 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.3 CC1COCCN1 W6211 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 CN1CCNCC1 4120AB [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 C[C@@H]1CNCCO1 8974AH [1,0,0,1,0,0|1,1,0]=4 214 B7R1.3 C[C@@H]1CNCCO1 W3662 [1,0,0,1,0,0|1,1,0]=4 215 B7R1.3 C[C@@H]1COCCN1 X4857 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 C[C@H]1CNCCO1 W8218 [1,0,0,1,0,0|1,1,0]=4 217 B7R1.3 C[C@H]1COCCN1 X4748 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 ClC1CCNCC1 7684AB [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 ClC1CCNCC1 Q214 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 NC1CCCNC1 5237AE [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 NC1CCCOC1 X9447 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.3 NC1CCSCC1 W4711 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 NN1CCCCC1 O184 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 N[C@@H]1CCCOC1 5857AA [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 OC1CCSCC1 W5218 [1,0,0,1,0,0|1,1,0]=4 226 B7R1.3 O[C@@H]1CCCNC1 9408AB [1,0,0,1,0,0|1,1,0]=4 227 B7R1.4 NC1CCCC1O W9232 [1,0,0,1,0,0|1,1,0]=4 228 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [1,0,0,1,0,0|1,1,0]=4 229 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [1,0,0,1,0,0|1,1,0]=4 230 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [1,0,0,1,0,0|1,1,0]=4 231 B7R1.4 OC1CCCC1O 5008AJ [1,0,0,1,0,0|1,1,0]=4 232 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [1,0,0,1,0,0|1,1,0]=4 233 B7R1.6 CCOC1CNC1 V6478 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.6 COCC1CNC1 2582AD [1,0,0,1,0,0|2,0,0]=4 235 B7R1.6 COCC1CNC1 Z5376 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.6 OCCC1COC1 1983AB [1,0,0,1,0,0|1,1,0]=4 237 B7R1.7 CCCCC1CO1 4465AL [1,0,0,1,0,0|0,1,0]=3 238 B7R1.7 ClCCOC1CC1 Y8014 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,1,0,1,0,0|0,1,1]=4 240 B9R1.2 CN1CCCC(CN)C1 W3191 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.2 CN1CCC[C@@H](CO)C1 2915AH [0,1,0,1,0,0|1,1,0]=4 242 B9R1.2 CN1CCC[C@H](CO)C1 2962AH [0,1,0,1,0,0|1,1,0]=4 243 B9R1.2 NCC1CCCC(O)C1 2722AA [0,1,0,1,0,0|1,0,0]=3 244 B9R1.7 NCCN1CC[C@H](O)C1 W6844 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.8 BrCCC1CCOCC1 6395AB [0,1,0,1,0,0|1,0,0]=3 246 B9R1.8 BrCCN1CCCCC1 4892AC [0,1,0,1,0,0|1,0,0]=3 247 B9R1.8 BrCCN1CCOCC1 Z4743 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.8 C#CCC1CCCCC1 Y8015 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.8 CCCN1CCNCC1 7434AD [0,1,0,1,0,0|2,0,0]=4 250 B9R1.8 CCNC1CCOCC1 0806AB [0,1,0,1,0,0|2,0,0]=4 251 B9R1.8 CCOC1CCCNC1 9686AC [0,1,0,1,0,0|2,0,0]=4 252 B9R1.8 CCOC1CCNCC1 Z7376 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.8 CNCC1CCCCC1 V3614 [0,1,0,1,0,0|1,0,0]=3 254 B9R1.8 CNCC1CCCCC1 V4720 [0,1,0,1,0,0|1,0,0]=3 255 B9R1.8 CNCC1CCCCO1 7421AH [0,1,0,1,0,0|0,1,0]=3 256 B9R1.8 CNCC1CCCCO1 8651AE [0,1,0,1,0,0|0,1,0]=3 257 B9R1.8 COCC1CCNCC1 V9116 [0,1,0,1,0,0|1,1,0]=4 258 B9R1.8 COCC1CCNCC1 Y6213 [0,1,0,1,0,0|1,1,0]=4 259 B9R1.8 N#CCC1CCCCC1 5033AH [0,1,0,1,0,0|1,0,0]=3 260 B9R1.8 N#CCC1CCCOC1 1827AF [0,1,0,1,0,0|1,0,1]=4 261 B9R1.8 N#CCC1CCOCC1 X2950 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.8 NCCC1CCCCC1 Z4868 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.8 NCCC1CCCCO1 1296AJ [0,1,0,1,0,0|0,1,0]=3 264 B9R1.8 NCCC1CCOCC1 V5672 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.8 NCCC1CCOCC1 Z2422 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.8 NCCN1CCSCC1 V6473 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.8 NNCC1CCCCC1 V5510 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.8 O=CCC1CCOCC1 W7684 [0,1,0,1,0,0|0,1,1]=4 269 B9R1.8 OCCC1CCCNC1 V3701 [0,1,0,1,0,0|0,1,0]=3 270 B9R1.8 OCCC1CCNCC1 5112AC [0,1,0,1,0,0|0,1,0]=3 271 B9R1.8 OCCC1CNCCN1 4749AE [0,1,0,1,0,0|1,1,0]=4 272 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [0,1,0,1,0,0|0,1,0]=3 273 B9R1.12 CCNCC1CCCO1 8649AE [0,1,0,1,0,0|0,1,0]=3 274 B9R1.12 N#CCCN1CCCC1 8619AD [0,1,0,1,0,0|1,0,1]=4 275 B9R1.12 NCCOC1CCCC1 5277AJ [0,1,0,1,0,0|1,0,0]=3 276 B9R1.12 O=CCCC1CCCC1 5333AH [0,1,0,1,0,0|0,1,0]=3 277 B9R1.15 CCN1CCNCC1C 9829AH [0,1,0,1,0,0|2,0,0]=4 278 B9R1.15 CN1CCCCC1CCl W5058 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.15 COC1CCCCC1=O 5686AL [0,1,0,1,0,0|0,1,1]=4 280 B9R1.33 CN1CCCC1CCCl P743 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.49 CN1CCCC(O)CC1 W4100 [0,1,0,1,0,0|1,1,0]=4 282 B9R1.50 OC1CCCCCCC1 7963AF [0,1,0,1,0,0|0,1,0]=3 283 B9R1.69 CC1CC(N)CCN1C 5009AJ [0,1,0,1,0,0|2,0,0]=4 284 B9R1.69 CC1CCC(O)CC1C 5905AL [0,1,0,1,0,0|1,0,0]=3 285 B9R1.89 N#CC1CCCNCC1 3271AD [0,1,0,1,0,0|1,0,1]=4 286 B9R1.89 NCC1CCCCCC1 9307AA [0,1,0,1,0,0|1,0,0]=3 287 B9R1.89 ON=C1CCCCCC1 7507AL [0,1,0,1,0,0|0,1,1]=4 288 B9R1.103 C1CSCCSCCS1 4593AL [0,1,0,1,0,0|1,0,0]=3 289 B9R1.1 CCC1CCC(N)CC1 8037AD [0,1,0,1,0,0|1,0,0]=3 290 B9R1.1 CCN1CCC(N)CC1 4454AE [0,1,0,1,0,0|2,0,0]=4 291 B9R1.1 CCN1CCC(N)CC1 V5477 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.1 CC[C@H]1CC[C@H](O)CC1 9229AL [0,1,0,1,0,0|1,0,0]=3 293 B9R1.1 CN1CCC(CCl)CC1 0048AD [0,1,0,1,0,0|2,0,0]=4 294 B9R1.1 CNC1CCC(O)CC1 1297AB [0,1,0,1,0,0|2,0,0]=4 295 B9R1.1 CNC1CCC(O)CC1 Y6165 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.1 COC1CCC(N)CC1 Z4754 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.1 COC1CCC(O)CC1 9476AA [0,1,0,1,0,0|2,0,0]=4 298 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4690AJ [0,1,0,1,0,0|2,0,0]=4 299 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4691AJ [0,1,0,1,0,0|2,0,0]=4 300 B9R1.1 N#CC1CCC(N)CC1 2647AJ [0,1,0,1,0,0|1,0,1]=4 301 B9R1.1 N#CC1CCC(O)CC1 W4762 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,1,0,1,0,0|0,1,1]=4 303 B9R1.1 OC[C@H]1CC[C@H](O)CC1 9224AL [0,1,0,1,0,0|0,1,0]=3 304 B9R1.3 CC1CCCC(O)C1C 5234AL [0,1,0,1,0,0|0,1,0]=3 305 B9R1.3 OC1CCCC(O)C1O 4399AL [0,1,0,1,0,0|1,1,0]=4 306 B9R1.21 CCN1CCC(CCl)C1 4608AF [0,1,0,1,0,0|2,0,0]=4 307 B9R1.21 CCN1CCC(CO)C1 6713AE [0,1,0,1,0,0|1,1,0]=4 308 B9R1.118 CC1(CO)CCNCC1 Z4573 [0,1,0,1,0,0|1,1,0]=4 309 B9R1.118 CC1(CO)CCOCC1 2523AJ [0,1,0,1,0,0|1,1,0]=4 310 B9R1.118 NCC1(F)CCOCC1 4411AA [0,1,0,1,0,0|2,0,0]=4 311 B9R1.118 OCC1(F)CCNCC1 4788AA [0,1,0,1,0,0|1,1,0]=4 312 B9R1.6 CC(C)[C@@H]1COCCN1 1580AC [0,1,0,1,0,0|2,0,0]=4 313 B9R1.6 CC(O)C1CCCCC1 3320AA [0,1,0,1,0,0|0,1,0]=3 314 B9R1.6 FC(F)C1CCNCC1 2519AJ [0,1,0,1,0,0|2,0,0]=4 315 B9R1.13 O=C(O)CC1CCCC1 2161AA [0,1,0,1,0,0|0,1,1]=4 316 B9R2.49 C1CN2CCC1CC2 3811AL [0,0,0,2,0,0|2,0,0]=4 317 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CO 6216AA [0,0,0,2,0,0|1,1,0]=4 318 B9R2.68 C1CC2CNCC1O2 W6897 [0,0,0,2,0,0|1,1,0]=4 319 B9R2.68 C1CC2COCC1N2 W9318 [0,0,0,2,0,0|2,0,0]=4 320 B9R2.68 [C@H]12C=CC[C@H](CC1)C2 7170AL [0,0,0,2,0,0|1,0,1]=4 321 B9R2.174 C1CC2(CCN1)CC2 3426AJ [0,0,0,2,0,0|2,0,0]=4 322 B9R2.174 C1CC2(CCO1)CO2 Z4331 [0,0,0,2,0,0|1,1,0]=4 323 B9R2.174 C1CNC2(CC2)CN1 Z4167 [0,0,0,2,0,0|2,0,0]=4 324 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 7931AL [0,0,0,2,0,0|0,1,0]=3 325 B9R2.3 [C@H]12CCC[C@H]1CNC2 7287AA [0,0,0,2,0,0|1,0,0]=3 326 B9R2.69 C(CC1CO1)C2CO2 4659AL [0,0,0,2,0,0|1,1,0]=4