0 B8R0.1 C=CCCC(=O)OCC 7864AL [0,0,0,0,0,0|1,0,3]=4 1 B8R0.1 CCCCC(O)CCC 7995AF [0,0,0,0,0,0|0,0,4]=4 2 B8R0.1 CCCOC(=O)CCC 9026AJ [0,0,0,0,0,0|1,0,2]=3 3 B8R0.1 CCOC(=O)CCC#N 7342AC [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CCOC(=O)CCCI 1537AC [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 CCOC(=O)CCNC 7579AD [0,0,0,0,0,0|2,0,1]=3 6 B8R0.1 CCOC(=O)NCCCl S838 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCCCCCOC 8052AL [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 CCCCCOC=O 7518AF [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CCC\C=C/CCC 7451AL [1,0,0,0,0,0|0,0,3]=4 10 B7R0.1 CC\C=C/CCCO 7447AL [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|0,0,1]=2 12 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 CCCCC(Br)CC 6006AL [1,0,0,0,0,0|1,0,2]=4 14 B7R0.3 CCCNC(=O)CN V6930 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 CCCOC(=O)CBr U694 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|1,0,1]=3 17 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 NNC(=O)CCCO 2288AE [1,0,0,0,0,0|3,0,0]=4 19 B7R0.7 CCNC(=O)CCCl 3193AE [1,0,0,0,0,0|2,0,1]=4 20 B7R0.7 CCOC(=O)\C=C\I V5131 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 COCC(=O)COC 9752AA [1,0,0,0,0,0|2,0,1]=4 23 B9R0.5 C=COC(=O)CCCCC 7945AF [0,1,0,0,0,0|1,0,1]=3 24 B9R0.5 CCOC(=O)COCCCl W3753 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.8 CCCCC(=O)N(C)OC 5475AA [0,1,0,0,0,0|2,0,0]=3 26 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.8 CCCOC(=O)C(C)CC 4721AB [0,1,0,0,0,0|1,0,2]=4 28 B9R0.18 CCCCS(=O)CCCC S178 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,1,0,0,0,0|0,0,2]=3 31 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,1,0,0,0,0|1,0,1]=3 32 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,0,0,1,0,0|0,0,2]=3 33 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,0,0,1,0,0|0,1,1]=3 34 B9R1.12 CCCCN1C=CC=N1 Z0656 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.12 CCNCC1=CC=CS1 V6759 [0,0,0,1,0,0|1,1,1]=4 36 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.12 OCCCC1=CC=CS1 X0200 [0,0,0,1,0,0|1,1,1]=4 38 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,0,0,1,0,0|3,0,0]=4 39 B9R1.15 CCN1CCNCC1=O Y9576 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.15 COC1CCCCC1=O 5686AL [0,0,0,1,0,0|1,0,1]=3 41 B9R1.15 N#CC1CCCCC1=O 6221AB [0,0,0,1,0,0|1,0,2]=4 42 B9R1.15 O=CC1=C(Cl)CCCC1 Z2040 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.22 CCC1NC(=O)NC1=O 9537AJ [0,0,0,1,0,0|3,0,0]=4 44 B9R1.33 CCCN1N=CC=C1N 1309AE [0,0,0,1,0,0|3,0,0]=4 45 B9R1.48 O=C1CCCCC(=O)C1 X9379 [0,0,0,1,0,0|1,0,1]=3 46 B9R1.48 O=C1CCCCC(=O)O1 0435AB [0,0,0,1,0,0|2,0,0]=3 47 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,0,0,1,0,0|2,0,1]=4 48 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.69 CN1CCC(=O)CC1=O Y2123 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.69 NC1CCC(=O)NC1=O 1594AB [0,0,0,1,0,0|3,0,0]=4 51 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,0,0,1,0,0|1,0,1]=3 52 B9R1.73 CCOC(=O)C1CNC1 W6099 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.73 N#CCC(=O)C1CCC1 2989AA [0,0,0,1,0,0|1,0,2]=4 54 B6R0.6 C=CCCCCCl X6224 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 CCCCSCC 7568AF [2,0,0,0,0,0|1,0,1]=4 56 B6R0.6 C\C=C/CCCO 7448AL [2,0,0,0,0,0|1,0,0]=3 57 B6R0.6 C\C=C\C=C\CO X5865 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.1 C=CC(O)CCC I123 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.1 C=COC(=O)CC 7389AF [2,0,0,0,0,0|1,0,1]=4 60 B6R0.1 CCNC(=O)CC 8553AL [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 CCOC(=O)OC 7884AL [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 COC(=O)\C=C\I 9331AB [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 C\C=C\C(=O)CC 2730AL [2,0,0,0,0,0|0,0,0]=2 65 B6R0.4 CCC#CC(C)=O 6057AL [2,0,0,0,0,0|0,0,2]=4 66 B6R0.4 CCCCC(=N)N 1867AA [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CCCCC(=N)N 9567AA [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CCCNC(N)=O P685 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|2,0,0]=4 75 B8R0.4 CCCC\C=C/CCO 7442AL [1,1,0,0,0,0|0,0,1]=3 76 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,1,0,0,0,0|0,0,1]=3 77 B8R0.4 CC\C=C/CCCCO 7454AL [1,1,0,0,0,0|0,0,1]=3 78 B8R0.6 CCCCCC(=O)CC 6144AL [1,1,0,0,0,0|0,0,2]=4 79 B8R0.6 CCCCNC(=O)CC 8516AL [1,1,0,0,0,0|1,0,1]=4 80 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [1,1,0,0,0,0|1,0,1]=4 81 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,1,0,0,0,0|0,0,0]=2 82 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,1,0,0,0,0|1,0,1]=4 83 B8R0.3 COC(=O)C(C)CCCl 4098AD [1,1,0,0,0,0|2,0,0]=4 84 B8R0.8 CCCCC(C)C(C)=O 1634AB [1,1,0,0,0,0|1,0,1]=4 85 B8R0.8 CCCOC(=O)C(C)C 8881AL [1,1,0,0,0,0|1,0,1]=4 86 B8R0.8 CCCOC(=O)C(C)O 8130AL [1,1,0,0,0,0|1,0,1]=4 87 B8R0.11 CCC\C=C(\C=O)CC 5610AL [1,1,0,0,0,0|0,0,2]=4 88 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|1,0,0]=3 89 B8R0.5 CCOC(=O)CC(C)N W6751 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.32 CCOC(=O)C(O)CC(C)C X8664 [0,2,0,0,0,0|1,0,1]=4 91 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,2,0,0,0,0|0,0,2]=4 92 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,2,0,0,0,0|0,0,2]=4 93 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|0,0,1]=3 94 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [0,2,0,0,0,0|1,0,1]=4 95 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [0,2,0,0,0,0|1,0,1]=4 97 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [0,2,0,0,0,0|2,0,0]=4 98 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,2,0,0,0,0|0,0,2]=4 99 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC 6583AJ [0,2,0,0,0,0|1,0,1]=4 100 B10R0.109 C\C=C\C(=O)OCC(F)(F)F 9198AD [0,2,0,0,0,0|2,0,0]=4 101 B8R1.2 O=CC1=CCCOC1 Z4103 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.8 CCCN1C=CC=N1 Z0507 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.22 O=C1C=CCCCC1 X8995 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.49 C1=CCCCCCC1 R645 [1,0,0,1,0,0|0,0,1]=3 105 B8R1.49 C1=CCCCCCC1 Z3117 [1,0,0,1,0,0|0,0,1]=3 106 B8R1.3 O=C1CCC(O)CN1 W4138 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.38 COC(=O)C1CCC1 9430AE [1,0,0,1,0,0|1,0,0]=3 108 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|2,0,0]=4 109 B8R1.38 NNC(=O)C1CCC1 4590AF [1,0,0,1,0,0|2,0,0]=4 110 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|1,0,0]=3 111 B10R1.16 CCCCC1=NC=C(Cl)N1 4990AD [0,1,0,1,0,0|2,0,0]=4 112 B10R1.16 CCCCN1C=C[N+](C)=C1 4796AL [0,1,0,1,0,0|2,0,0]=4 113 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.10 CCCC1CCCC(=O)O1 R377 [0,1,0,1,0,0|0,0,2]=4 115 B10R1.11 CCNC(=O)[C@@H]1CCCN1 V6753 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.11 CNCC(=O)N1CCCC1 4377AD [0,1,0,1,0,0|1,0,1]=4 118 B10R1.21 CCCCCC1=CC=CO1 4832AB [0,1,0,1,0,0|0,0,2]=4 119 B10R1.21 CCCCCC1=CSC=C1 Z5434 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.78 O=C1CCCCCCCC1 3914AB [0,1,0,1,0,0|0,0,2]=4 121 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,1,0,1,0,0|1,0,1]=4 122 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,1,0,1,0,0|1,0,1]=4 123 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,1,0,0|2,0,0]=4 124 B10R1.4 C=CCC1CCCCC1=O 7860AJ [0,1,0,1,0,0|0,0,2]=4 125 B10R1.4 CCOC1=CCCCC1=O 3081AB [0,1,0,1,0,0|0,0,2]=4 126 B10R1.140 CCOC(=O)C1CC(O)C1 Y6088 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.212 CCOC(=O)C(Br)C1CC1 X9405 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.401 CCOC(=O)C1(N)CCC1 3052AH [0,1,0,1,0,0|1,0,1]=4 129 B10R1.63 CC1(C)CCC(=O)OC1=O 5135AL [0,1,0,1,0,0|2,0,0]=4 130 B10R2.7 C1=C2CCCCC2=CN1 7214AB [0,0,0,2,0,0|2,0,0]=4 131 B10R2.7 C1=CC2=C(CCCC2)S1 3659AD [0,0,0,2,0,0|0,1,1]=4 132 B10R2.7 C1=NNC2=C1CCCC2 V3915 [0,0,0,2,0,0|2,0,0]=4 133 B10R2.7 C1=NNC2=C1CCCC2 V4540 [0,0,0,2,0,0|2,0,0]=4