0 B7R0.1 CCCC#CCCC 7932AF [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 CCCC#CCCO 5337AH [0,0,0,0,0,0|0,0,3]=3 2 B7R0.1 CCCCC#CCO V0602 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.1 CCCCCCOC 8052AL [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 CCCCSCCO 5039AL [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 CCCNCCCN 1645AB [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 CCC\C=C/CCC 7451AL [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 CCNCCCCO 2370AE [0,0,0,0,0,0|1,0,1]=2 8 B7R0.1 CC\C=C/CCCO 7447AL [0,0,0,0,0,0|0,0,0]=0 9 B7R0.1 CC\C=C\C=C\CO 3900AB [0,0,0,0,0,0|0,0,2]=2 10 B7R0.1 NCCCNCCN M698 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 NCCCNCCO 6154AB [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 NCCNCCCO 8334AL [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 OCCNNCCO 1925AB [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C=CCCCCCl X6224 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 CCC#CCCO 5338AH [1,0,0,0,0,0|0,0,2]=3 16 B6R0.6 CCCC#CCO V0624 [1,0,0,0,0,0|0,0,3]=4 17 B6R0.6 CCCCSCC 7568AF [1,0,0,0,0,0|1,0,1]=3 18 B6R0.6 CCCNCCO 8316AA [1,0,0,0,0,0|1,0,1]=3 19 B6R0.6 CCSSSCC U690 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 CNCCCCO 5794AB [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|0,0,0]=1 22 B6R0.6 C\C=C\C=C\CO X5865 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.6 SCCCCCS 7344AF [1,0,0,0,0,0|1,1,1]=4 24 B8R0.1 C=CCCC(=O)OCC 7864AL [0,1,0,0,0,0|2,0,1]=4 25 B8R0.1 CCCCC(O)CCC 7995AF [0,1,0,0,0,0|1,0,2]=4 26 B8R0.1 CCCOC(=O)CCC 9026AJ [0,1,0,0,0,0|2,0,1]=4 27 B8R0.1 CCOC(=O)CCC#N 7342AC [0,1,0,0,0,0|2,0,1]=4 28 B8R0.1 CCOC(=O)CCCI 1537AC [0,1,0,0,0,0|2,0,0]=3 29 B8R0.1 CCOC(=O)CCNC 7579AD [0,1,0,0,0,0|3,0,0]=4 30 B8R0.1 CCOC(=O)NCCCl S838 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.4 CCCCCCCCF V6056 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.4 CCCCCOCCO 6511AH [0,1,0,0,0,0|0,0,2]=3 33 B8R0.4 CCCCNCCCC W7485 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.4 CCCCOCCCN P793 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.4 CCCC\C=C/CCO 7442AL [0,1,0,0,0,0|1,0,0]=2 36 B8R0.4 CCC\C=C\C=C\CO Z4325 [0,1,0,0,0,0|0,0,2]=3 37 B8R0.4 CC\C=C/CCCCO 7454AL [0,1,0,0,0,0|0,0,0]=1 38 B8R0.4 ClCCCCCCCBr 4782AL [0,1,0,0,0,0|1,0,2]=4 39 B8R0.6 CCCCCC(=O)CC 6144AL [0,1,0,0,0,0|1,0,1]=3 40 B8R0.6 CCCCNC(=O)CC 8516AL [0,1,0,0,0,0|2,0,0]=3 41 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,1,0,0,0,0|2,0,1]=4 42 B8R0.6 COC(=O)CCCCN 3063AB [0,1,0,0,0,0|2,0,1]=4 43 B8R0.6 OCCCCC(O)CO X6223 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.7 CCCCCCC(C)O Z6063 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.7 CCCC\C=C\C(C)=O 6146AL [0,1,0,0,0,0|1,0,1]=3 46 B8R1.2 BrCC1CCNCC1 Z2771 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.2 CCC1CCCCC1 8567AA [0,0,0,1,0,0|1,0,2]=4 48 B8R1.2 CCC1CCNCC1 0192AE [0,0,0,1,0,0|2,0,1]=4 49 B8R1.2 CCC1CNCCO1 V6407 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.2 COC1CCC=CO1 5901AL [0,0,0,1,0,0|3,0,0]=4 51 B8R1.2 FCC1CCCNC1 2978AD [0,0,0,1,0,0|2,0,1]=4 52 B8R1.2 ICC1CCCCC1 4784AJ [0,0,0,1,0,0|1,0,2]=4 53 B8R1.2 ICC1CCOCC1 Y6802 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.2 N#CC1=CCCCO1 6287AJ [0,0,0,1,0,0|1,0,1]=3 55 B8R1.2 NCC1CCCCO1 V7179 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.2 NCC1CCCNC1 U802 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 OCC1CCNCC1 5626AH [0,0,0,1,0,0|1,0,1]=3 58 B8R1.2 OCC1CCSCC1 Y6767 [0,0,0,1,0,0|1,0,1]=3 59 B8R1.2 OCC1CNCCO1 W3143 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 OCC1CNCCO1 X8636 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.2 OCC1COCCN1 1479AA [0,0,0,1,0,0|2,0,1]=4 62 B8R1.2 OCC1COCCN1 6468AC [0,0,0,1,0,0|2,0,1]=4 63 B8R1.2 OC[C@@H]1CNCCO1 X9792 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.2 ONC1CCCCC1 1210AB [0,0,0,1,0,0|1,0,2]=4 65 B8R1.5 CC1COCCC1O 2365AJ [0,0,0,1,0,0|1,0,1]=3 66 B8R1.5 N[C@@H]1CCCC[C@@H]1O W4237 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.5 N[C@H]1CCCC[C@@H]1O B566 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,0,0,1,0,0|1,0,2]=4 69 B8R1.5 N[C@H]1CCCC[C@H]1O X3115 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.5 OC1CCCCC1Cl 7832AA [0,0,0,1,0,0|1,0,2]=4 71 B8R1.8 CNCC1CCCO1 7539AF [0,0,0,1,0,0|1,0,2]=4 72 B8R1.8 NCCC1CCCC1 W7101 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.8 NCCC1CCCC1 Z5033 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.8 OCCN1C=CC=N1 V7005 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 BrC1CCCCCC1 1727AB [0,0,0,1,0,0|1,0,2]=4 76 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.49 C1=CCCC=CCC1 4303AA [0,0,0,1,0,0|1,0,1]=3 78 B8R1.49 C1=CCCC=CCC1 4304AA [0,0,0,1,0,0|1,0,1]=3 79 B8R1.49 C1=CCCC=CCC1 4331AB [0,0,0,1,0,0|1,0,1]=3 80 B8R1.49 C1=CCCC=CCC1 G763 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.49 C1=CCCCCCC1 R645 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.49 C1=CCCCCCC1 Z3117 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.49 [CH]1[CH]CCCCCC1 8468AJ [0,0,0,1,0,0|1,0,2]=4 84 B5R0.2 C=CCCC=C 7447AF [2,0,0,0,0,0|1,0,1]=4 85 B5R0.2 C=CCCCN 2628AB [2,0,0,0,0,0|1,0,0]=3 86 B5R0.2 CC#CCCC 7448AF [2,0,0,0,0,0|0,0,2]=4 87 B5R0.2 CCCCON 7308AJ [2,0,0,0,0,0|2,0,0]=4 88 B5R0.2 CCCOC=O 8880AL [2,0,0,0,0,0|2,0,0]=4 89 B5R0.2 CCCSSC 8846AJ [2,0,0,0,0,0|2,0,0]=4 90 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|0,0,0]=2 91 B5R0.2 CC\C=C/CO 3214AL [2,0,0,0,0,0|0,0,0]=2 92 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|0,0,0]=2 93 B5R0.2 C\C=C\C=C\C 5333AL [2,0,0,0,0,0|0,0,2]=4 94 B5R0.2 NCCCCBr 4038AB [2,0,0,0,0,0|2,0,0]=4 95 B5R0.2 NCCCCBr Z4484 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.2 NCCCCCl 9859AB [2,0,0,0,0,0|2,0,0]=4 97 B5R0.2 OCCNCO 5459AL [2,0,0,0,0,0|2,0,0]=4 98 B7R0.3 CCC(O)\C=C\C=O 1086AH [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|0,0,1]=3 100 B7R0.3 CCCCC(Br)CC 6006AL [1,1,0,0,0,0|0,0,2]=4 101 B7R0.3 CCCC[C@@H](N)CO V7833 [1,1,0,0,0,0|0,0,1]=3 102 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.3 CCCOC(=O)CBr U694 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|1,0,0]=3 105 B7R0.3 CCOCC(O)CCl 5717AB [1,1,0,0,0,0|2,0,0]=4 106 B7R0.3 COC(=O)CCCN 3563AL [1,1,0,0,0,0|2,0,0]=4 107 B7R0.3 NNC(=O)CCCO 2288AE [1,1,0,0,0,0|2,0,0]=4 108 B7R0.3 OCCCC(O)CO 4412AL [1,1,0,0,0,0|1,0,1]=4 109 B7R0.4 CC(=O)CCCCCl D718 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.4 CC(C)NCCCO 0839AE [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 CCC#CCC(C)O 6519AL [1,1,0,0,0,0|0,0,2]=4 112 B7R0.4 CCCCSC(C)=O 3195AL [1,1,0,0,0,0|2,0,0]=4 113 B7R0.7 CCCC(C)CCC 6609AL [1,1,0,0,0,0|0,0,2]=4 114 B7R0.7 CCCC(O)CCC 6512AL [1,1,0,0,0,0|0,0,2]=4 115 B7R0.7 CCCC(S)CCO U459 [1,1,0,0,0,0|0,0,1]=3 116 B7R0.7 CCNC(=O)CCCl 3193AE [1,1,0,0,0,0|2,0,0]=4 117 B7R0.7 CCNC(C)CCO 9482AE [1,1,0,0,0,0|1,0,0]=3 118 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|1,0,1]=4 119 B9R0.5 CCOC(=O)COCCCl W3753 [0,2,0,0,0,0|2,0,0]=4 120 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,2,0,0,0,0|2,0,0]=4 121 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,2,0,0,0,0|1,0,1]=4 122 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,2,0,0,0,0|2,0,0]=4 123 B9R0.2 CC(C)NCCCCCO 6718AL [0,2,0,0,0,0|0,0,2]=4 124 B9R0.2 CCCCCCCB(O)O Y5025 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,2,0,0,0,0|0,0,2]=4 126 B9R0.2 C\C=C\CCCCB(O)O N891 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.45 C#CCCCCCCCO X5979 [0,2,0,0,0,0|0,0,2]=4 128 B9R0.45 C=CCCCCCCCO 6910AL [0,2,0,0,0,0|0,0,2]=4 129 B9R0.45 CCCCCC#CCCO V0610 [0,2,0,0,0,0|0,0,2]=4 130 B9R0.45 CCCCCCC#CCO V0621 [0,2,0,0,0,0|0,0,2]=4 131 B9R0.45 CCCCCC\C=C/CO 7426AL [0,2,0,0,0,0|0,0,2]=4 132 B9R0.45 CCCCC\C=C/CCO 7441AL [0,2,0,0,0,0|1,0,0]=3 133 B9R0.45 OCCCCCCCCCl Q040 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.46 CCCCCCC(O)CC 6139AL [0,2,0,0,0,0|0,0,2]=4 135 B9R0.46 COC(=O)CCCCCO 6266AB [0,2,0,0,0,0|1,0,1]=4 136 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [0,2,0,0,0,0|0,0,2]=4 137 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [0,2,0,0,0,0|2,0,0]=4 138 B9R0.50 CCCCCC(CO)CO 2153AL [0,2,0,0,0,0|0,0,2]=4 139 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 COC1=NCCC1 7443AB [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 ICC1CCOC1 3884AL [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 N#CC1=CCCC1 3193AB [1,0,0,1,0,0|1,0,1]=4 143 B7R1.1 NCC1CCCC1 W7173 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.1 O=CC1=CCCC1 Z4945 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.1 OC[C@@H]1CCNC1 4311AA [1,0,0,1,0,0|1,0,0]=3 146 B7R1.1 OC[C@@H]1CCNC1 Z7301 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.1 OC[C@@H]1CCOC1 4598AA [1,0,0,1,0,0|1,0,0]=3 148 B7R1.1 OC[C@H]1CCNC1 1914AA [1,0,0,1,0,0|1,0,0]=3 149 B7R1.3 BrC1CCOCC1 W4892 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 CC1=CCCNC1 V9748 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 C[C@@H]1CNCCO1 8974AH [1,0,0,1,0,0|1,0,1]=4 152 B7R1.3 C[C@@H]1CNCCO1 W3662 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.3 C[C@H]1CNCCO1 W8218 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.3 ClC1CCNCC1 7684AB [1,0,0,1,0,0|2,0,0]=4 155 B7R1.3 ClC1CCNCC1 Q214 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.3 NC1CCSCC1 W4711 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.3 OC1CCSCC1 W5218 [1,0,0,1,0,0|1,0,0]=3 158 B7R1.3 O[C@@H]1CCCNC1 9408AB [1,0,0,1,0,0|1,0,1]=4 159 B7R1.4 NC1CCCC1O W9232 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,1,0,0|2,0,0]=4 164 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|2,0,0]=4 165 B7R1.4 OC1CCCC1O 5008AJ [1,0,0,1,0,0|1,0,1]=4 166 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [1,0,0,1,0,0|1,0,1]=4 167 B7R1.6 OCCC1COC1 1983AB [1,0,0,1,0,0|1,0,1]=4 168 B7R1.7 CCCCC1CO1 4465AL [1,0,0,1,0,0|0,0,1]=3 169 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,1,0,1,0,0|1,0,1]=4 170 B9R1.2 CN1CCC[C@@H](CO)C1 2915AH [0,1,0,1,0,0|1,0,1]=4 171 B9R1.2 CN1CCC[C@H](CO)C1 2962AH [0,1,0,1,0,0|1,0,1]=4 172 B9R1.8 CNCC1CCCCO1 7421AH [0,1,0,1,0,0|0,0,2]=4 173 B9R1.8 CNCC1CCCCO1 8651AE [0,1,0,1,0,0|0,0,2]=4 174 B9R1.8 COCC1CCNCC1 V9116 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.8 COCC1CCNCC1 Y6213 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.8 NCCC1CCCCO1 1296AJ [0,1,0,1,0,0|0,0,2]=4 177 B9R1.8 OCCC1CCCNC1 V3701 [0,1,0,1,0,0|0,0,2]=4 178 B9R1.8 OCCC1CCNCC1 5112AC [0,1,0,1,0,0|0,0,2]=4 179 B9R1.8 OCCC1CNCCN1 4749AE [0,1,0,1,0,0|1,0,1]=4 180 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [0,1,0,1,0,0|0,0,2]=4 181 B9R1.12 CCNCC1CCCO1 8649AE [0,1,0,1,0,0|0,0,2]=4 182 B9R1.12 OCCCC1=CC=CS1 X0200 [0,1,0,1,0,0|0,0,2]=4 183 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,1,0,1,0,0|0,0,2]=4 184 B9R1.12 OCCCN1C=CC=N1 6058AD [0,1,0,1,0,0|1,0,1]=4 185 B9R1.33 O=C1OCCN1CCO 0596AE [0,1,0,1,0,0|2,0,0]=4 186 B9R1.49 CN1CCCC(O)CC1 W4100 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.50 OC1CCCCCCC1 7963AF [0,1,0,1,0,0|0,0,2]=4 188 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,1,0,1,0,0|0,0,1]=3 190 B9R1.1 OC[C@H]1CC[C@H](O)CC1 9224AL [0,1,0,1,0,0|0,0,2]=4 191 B9R1.3 CC1CCCC(O)C1C 5234AL [0,1,0,1,0,0|0,0,2]=4 192 B9R1.21 CCN1CCC(CO)C1 6713AE [0,1,0,1,0,0|1,0,1]=4 193 B9R1.118 CC1(CO)CCNCC1 Z4573 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.118 CC1(CO)CCOCC1 2523AJ [0,1,0,1,0,0|1,0,1]=4 195 B9R1.118 OCC1(F)CCNCC1 4788AA [0,1,0,1,0,0|1,0,1]=4 196 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,1,0,1,0,0|1,0,1]=4 197 B9R1.6 CC(O)C1CCCCC1 3320AA [0,1,0,1,0,0|0,0,2]=4 198 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,1,0,1,0,0|1,0,1]=4 199 B9R1.6 O=C(O)[C@H]1CC=CCC1 O030 [0,1,0,1,0,0|0,0,1]=3 200 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CO 6216AA [0,0,0,2,0,0|1,0,1]=4 201 B9R2.68 [C@H]12C=CC[C@H](CC1)C2 7170AL [0,0,0,2,0,0|1,0,0]=3 202 B9R2.174 C1CC2(CCO1)CO2 Z4331 [0,0,0,2,0,0|1,0,1]=4 203 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 7931AL [0,0,0,2,0,0|0,0,2]=4 204 B9R2.7 [C@H]12CC=C[C@H]1CC2=O 1038AC [0,0,0,2,0,0|0,0,2]=4