0 B8R0.6 CCCCCC(=O)CC 6144AL [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 CCCCCC(=O)NN 8224AD [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 CCCCNC(=O)CC 8516AL [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,0,0,0,0,0|0,0,2]=2 4 B8R0.6 COC(=O)CCCCN 3063AB [0,0,0,0,0,0|1,0,2]=3 5 B8R0.6 COC(=O)CCN=C=S 6385AD [0,0,0,0,0,0|2,0,2]=4 6 B8R0.6 COC(=O)COCCCl 2910AC [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 CCCCCCOC 8052AL [1,0,0,0,0,0|0,0,3]=4 8 B7R0.1 CC\C=C/CCCO 7447AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CC\C=C\C=C\CO 3900AB [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 C=CCOC(=O)OC Z3261 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|1,0,1]=3 12 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|1,0,1]=3 15 B7R0.3 COC(=O)CN=C=S 7159AD [1,0,0,0,0,0|2,0,1]=4 16 B7R0.3 COC(=O)CNC=O 3413AB [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|1,0,2]=4 19 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 O=C(O)COCCCl Y5074 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.5 C=COC(=O)CCCCC 7945AF [0,1,0,0,0,0|0,0,3]=4 25 B9R0.5 CCOC(=O)COCCCl W3753 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.5 CCOC(=O)N\N=C\CCl 6833AE [0,1,0,0,0,0|3,0,0]=4 27 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|0,0,2]=3 28 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,0,0,0,0|1,0,1]=3 29 B9R0.34 CCOC(=O)CC(=O)NN 3274AB [0,1,0,0,0,0|3,0,0]=4 30 B9R0.34 CCOC(=O)CC(=O)NN 9988AL [0,1,0,0,0,0|3,0,0]=4 31 B9R0.46 C=CCNCCC(=O)OC 1963AE [0,1,0,0,0,0|1,0,2]=4 32 B9R0.46 COC(=O)CCCCCO 6266AB [0,1,0,0,0,0|0,0,2]=3 33 B9R1.2 COC1=NC=CC(C)=N1 Y3214 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.5 CN1CCCNCC1=O W7308 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.11 COC(=O)C1=CC=NO1 W3292 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,0,0,1,0,0|1,0,1]=3 38 B9R1.11 COC(=O)C1CCOC1 3589AL [0,0,0,1,0,0|1,0,1]=3 39 B9R1.11 COC(=O)C1NCCS1 Y8749 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.11 COC(=O)N1C=CC=C1 3202AE [0,0,0,1,0,0|1,0,2]=4 41 B9R1.11 COC(=O)[C@@H]1C=CCN1 Z5700 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.11 COC(=O)[C@@H]1CCNC1 W8977 [0,0,0,1,0,0|1,0,1]=3 43 B9R1.11 COC(=O)[C@H]1CCNC1 X8929 [0,0,0,1,0,0|1,0,1]=3 44 B9R1.11 COC(=O)[SH]1CC=CC1 Z2456 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.79 COC(=O)CC1CNC1 4200AJ [0,0,0,1,0,0|1,0,2]=4 46 B6R0.6 C\C=C\C=C\CO X5865 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.1 C=COC(=O)CC 7389AF [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 CCNC(=O)CC 8553AL [2,0,0,0,0,0|2,0,0]=4 49 B6R0.1 CCOC(=O)OC 7884AL [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 COC(=O)OCCl 0229AP [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 COC(=O)\C=C\I 9331AB [2,0,0,0,0,0|1,0,0]=3 53 B6R0.1 C\C=C\C(=O)CC 2730AL [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 C=C\C=C\C(=O)O Z4964 [2,0,0,0,0,0|0,0,2]=4 55 B6R0.4 CCC#CC(C)=O 6057AL [2,0,0,0,0,0|0,0,2]=4 56 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.4 CCCC\C=C/CCO 7442AL [1,1,0,0,0,0|1,0,1]=4 60 B8R0.4 CC\C=C/CCCCO 7454AL [1,1,0,0,0,0|1,0,1]=4 61 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,1,0,0,0,0|0,0,1]=3 62 B8R0.3 CCOC(=O)C(=O)CC W3459 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.3 COC(=O)C(C)CCCl 4098AD [1,1,0,0,0,0|1,0,1]=4 64 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [1,1,0,0,0,0|2,0,0]=4 65 B8R0.9 CNC(=O)CNC(C)=O 4960AH [1,1,0,0,0,0|2,0,0]=4 66 B8R0.9 COC(=O)CCC(N)=O 8250AL [1,1,0,0,0,0|1,0,1]=4 67 B8R0.11 CCC\C=C(\C=O)CC 5610AL [1,1,0,0,0,0|1,0,1]=4 68 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|0,0,1]=3 69 B8R0.19 COC(=O)CN(C)C=O V7303 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.28 CC(=O)CCCC(C)C 5697AC [1,1,0,0,0,0|0,0,2]=4 71 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [1,1,0,0,0,0|0,0,2]=4 72 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [1,1,0,0,0,0|0,0,2]=4 73 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.44 COC(=O)CC(=O)CC(C)C 3273AJ [0,2,0,0,0,0|0,0,1]=3 75 B10R0.2 CCOC(=N)CC(=N)OCC 0828AA [0,2,0,0,0,0|2,0,0]=4 76 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [0,2,0,0,0,0|0,0,2]=4 77 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,2,0,0,0,0|0,0,2]=4 78 B10R0.26 CCOC(=O)CC(=O)C(C)Br 1634AE [0,2,0,0,0,0|2,0,0]=4 79 B10R0.55 COC(=O)CCCCC(C)=O 0506AB [0,2,0,0,0,0|0,0,2]=4 80 B10R0.74 COC(=O)CCCCCCBr W6840 [0,2,0,0,0,0|0,0,2]=4 81 B10R0.74 COC(=O)CCCCCCN W3908 [0,2,0,0,0,0|0,0,2]=4 82 B8R1.2 COC1=CCC=CC1 Y5373 [1,0,0,1,0,0|0,0,1]=3 83 B8R1.2 COC1CCC=CO1 5901AL [1,0,0,1,0,0|1,0,1]=4 84 B8R1.49 C1=CCCCCCC1 R645 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.49 C1=CCCCCCC1 Z3117 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.1 COC1=CC(=O)CC1 6398AB [1,0,0,1,0,0|2,0,0]=4 87 B8R1.1 COC1=CC(=O)OC1 1405AQ [1,0,0,1,0,0|1,0,0]=3 88 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [1,0,0,1,0,0|1,0,0]=3 89 B8R1.38 COC(=O)C1CCC1 9430AE [1,0,0,1,0,0|0,0,1]=3 90 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|1,0,0]=3 91 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|1,0,1]=4 92 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|1,0,1]=4 93 B8R1.7 O=C(O)C1CCNC1 W9737 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.7 O=C(O)[C@@H]1C=CCN1 W4258 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [1,0,0,1,0,0|1,0,1]=4 96 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [1,0,0,1,0,0|1,0,1]=4 97 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|0,0,2]=4 99 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|0,0,2]=4 100 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,1,0,1,0,0|0,0,1]=3 101 B10R1.14 COC(=O)C1=CC=C(C)N1 3341AA [0,1,0,1,0,0|0,0,2]=4 102 B10R1.14 COC(=O)C1=NN(C)C=C1 9356AA [0,1,0,1,0,0|1,0,1]=4 103 B10R1.14 COC(=O)C1CCC(=O)C1 W5454 [0,1,0,1,0,0|0,0,1]=3 104 B10R1.14 COC(=O)C1CCN(C)C1 1024AE [0,1,0,1,0,0|1,0,1]=4 105 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 V6761 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.14 COC(=O)[C@H]1COC(=O)N1 7123AA [0,1,0,1,0,0|2,0,0]=4 107 B10R1.153 COC(=O)CCNC1CC1 6994AJ [0,1,0,1,0,0|0,0,2]=4 108 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.137 CCOC(=O)C=C1CCC1 2660AB [0,1,0,1,0,0|0,0,2]=4 110 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,1,0,1,0,0|0,0,2]=4 111 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,1,0,0|0,0,2]=4 112 B10R1.15 COC(=O)C1=CCNCC1 6880AJ [0,1,0,1,0,0|0,0,2]=4 113 B10R1.15 COC(=O)C1CCCCN1 P494 [0,1,0,1,0,0|0,0,2]=4 114 B10R1.15 COC(=O)C1CCCOC1 W4041 [0,1,0,1,0,0|0,0,2]=4 115 B10R1.15 COC(=O)C1COCCN1 3895AA [0,1,0,1,0,0|1,0,1]=4 116 B10R1.15 COC(=O)N1CCCCC1 3586AL [0,1,0,1,0,0|0,0,2]=4 117 B10R1.15 COC(=O)N1CCNCC1 W8961 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.15 COC(=O)[C@@H]1CCCNC1 S981 [0,1,0,1,0,0|0,0,2]=4 119 B10R1.15 COC(=O)[C@H]1CCCCN1 W6258 [0,1,0,1,0,0|0,0,2]=4 120 B10R1.15 COC(=O)[C@H]1CCCNC1 W3583 [0,1,0,1,0,0|0,0,2]=4 121 B10R1.15 COC(=O)[C@H]1CCCNC1 W5068 [0,1,0,1,0,0|0,0,2]=4 122 B10R1.15 COC(=O)[C@H]1CNCCN1 W7554 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.15 COC(=O)[C@H]1COCCN1 3118AA [0,1,0,1,0,0|1,0,1]=4 124 B10R1.411 COC(=O)C1(C)CCCO1 6969AJ [0,1,0,1,0,0|1,0,1]=4 125 B10R1.411 COC(=O)C1(N)CCCC1 X3163 [0,1,0,1,0,0|0,0,2]=4 126 B10R1.149 COC(=O)C1=C(C)NC=C1 3448AB [0,1,0,1,0,0|0,0,2]=4 127 B10R1.149 COC(=O)C1=C(C)OC=C1 9207AB [0,1,0,1,0,0|0,0,2]=4 128 B10R1.149 COC(=O)C1=C(C)SC=C1 X0190 [0,1,0,1,0,0|0,0,2]=4 129 B10R1.149 COC(=O)C1=C(N)CCC1 7484AB [0,1,0,1,0,0|0,0,2]=4 130 B10R1.149 COC(=O)C1=NC=CN1C Z3221 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.149 COC(=O)C1COCC1=O 8499AB [0,1,0,1,0,0|1,0,1]=4 132 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,2,0,0|0,0,2]=4