0 B10R0.2 CCOC(=N)CC(=N)OCC 0828AA [0,0,0,0,0,0|3,0,0]=3 1 B9R0.5 C=COC(=O)CCCCC 7945AF [1,0,0,0,0,0|0,0,3]=4 2 B9R0.5 CCOC(=O)COCCCl W3753 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.34 CCOC(=O)CC(=O)NN 3274AB [1,0,0,0,0,0|2,0,0]=3 4 B9R0.34 CCOC(=O)CC(=O)NN 9988AL [1,0,0,0,0,0|2,0,0]=3 5 B9R0.34 CCOC(=O)CC(N)=NO 2279AF [1,0,0,0,0,0|3,0,0]=4 6 B9R0.34 CCOC(=O)CC(O)CCl X6126 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.34 CCOC(=O)\C=C(\C)NC X6618 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.1 CCOC(=O)CC(=O)CC(C)C 4048AB [0,1,0,0,0,0|0,0,0]=1 9 B11R0.177 CCOC(=O)C(=O)C(=O)OCC 7759AF [0,1,0,0,0,0|1,0,1]=3 10 B11R1.30 CCOC(=O)CC1CCCC1 9596AA [0,0,0,1,0,0|1,0,1]=3 11 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,0,0,1,0,0|0,0,2]=3 12 B11R1.30 CCOC(=O)CN1CCCC1 7520AD [0,0,0,1,0,0|2,0,0]=3 13 B11R1.199 CCOC(=O)C1=C(N)CCC1 X2964 [0,0,0,1,0,0|1,0,1]=3 14 B11R1.199 CCOC(=O)C1CCNC1=O Z1996 [0,0,0,1,0,0|1,0,0]=2 15 B11R1.199 CCOC(=O)C1COCC1=O 4919AC [0,0,0,1,0,0|1,0,0]=2 16 B11R1.199 CCOC(=O)C1CSCC1=O 2316AC [0,0,0,1,0,0|1,0,0]=2 17 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,0,0,1,0,0|1,0,1]=3 18 B11R1.840 CCOC(=O)CC1(N)COC1 3610AA [0,0,0,1,0,0|2,0,1]=4 19 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,0,0,0,1,0|1,0,2]=4 20 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [0,0,0,0,1,0|2,0,0]=3 21 B9R0.35 CCOC(=O)C(=O)CC#N Y1142 [0,0,0,0,1,0|1,0,1]=3 22 B9R0.35 CCOC(=O)C(=O)[CH-]C#N 0090AP [0,0,0,0,1,0|1,0,2]=4 23 B11R0.62 CCOC(=O)CSC(=O)OCC 4982AE [0,0,0,0,0,1|1,0,0]=2 24 B8R0.1 C=CCCC(=O)OCC 7864AL [2,0,0,0,0,0|0,0,2]=4 25 B8R0.1 CCCOC(=O)CCC 9026AJ [2,0,0,0,0,0|1,0,1]=4 26 B8R0.1 CCOC(=O)CCC#N 7342AC [2,0,0,0,0,0|1,0,1]=4 27 B8R0.1 CCOC(=O)CCCI 1537AC [2,0,0,0,0,0|1,0,0]=3 28 B8R0.1 CCOC(=O)CCNC 7579AD [2,0,0,0,0,0|1,0,0]=3 29 B8R0.1 CCOC(=O)NCCCl S838 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.6 CCCCCC(=O)CC 6144AL [2,0,0,0,0,0|0,0,1]=3 31 B8R0.6 CCCCNC(=O)CC 8516AL [2,0,0,0,0,0|1,0,1]=4 32 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [2,0,0,0,0,0|0,0,1]=3 33 B8R0.6 COC(=O)CCCCN 3063AB [2,0,0,0,0,0|1,0,1]=4 34 B8R0.6 COC(=O)COCCCl 2910AC [2,0,0,0,0,0|2,0,0]=4 35 B8R0.5 CCOC(=O)CC(=N)N W7089 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.5 CCOC(=O)CC(C)N W6751 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.5 CCOC(=O)CC(N)=S 6448AA [2,0,0,0,0,0|1,1,0]=4 38 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [2,0,0,0,0,0|0,0,2]=4 39 B10R0.1 CCCCCCC(=O)CCC 9409AB [1,1,0,0,0,0|1,0,1]=4 40 B10R0.1 CCCCCOC(=O)CCC 7746AB [1,1,0,0,0,0|1,0,1]=4 41 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [1,1,0,0,0,0|0,0,2]=4 42 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [1,1,0,0,0,0|1,0,1]=4 43 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.91 CCCCCC(=O)OCCC 9028AJ [1,1,0,0,0,0|0,0,1]=3 46 B10R0.26 CCOC(=O)CC(=O)C(C)Br 1634AE [1,1,0,0,0,0|0,0,0]=2 47 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC 6583AJ [1,1,0,0,0,0|1,0,1]=4 48 B10R0.44 COC(=O)CC(=O)CC(C)C 3273AJ [1,1,0,0,0,0|0,0,0]=2 49 B10R0.32 CCOC(=O)C(O)CC(C)C X8664 [0,1,0,0,1,0|0,0,2]=4 50 B12R0.69 CCCC(=O)CC(=O)C(=O)OCC X5264 [0,1,0,0,0,1|0,0,0]=2 51 B12R0.103 CCCOC(=O)CC(=O)OCCC 7762AL [0,2,0,0,0,0|0,0,0]=2 52 B12R0.731 CCOC(=O)C(C)(F)C(=O)OCC 5302AD [0,2,0,0,0,0|1,0,0]=3 53 B10R1.11 CCNC(=O)[C@@H]1CCCN1 V6753 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.11 CCOC(=O)C1SCCS1 0504AB [1,0,0,1,0,0|2,0,0]=4 55 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [1,0,0,1,0,0|1,0,0]=3 56 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|1,0,1]=4 57 B10R1.137 CCOC(=O)C=C1CCC1 2660AB [1,0,0,1,0,0|0,0,1]=3 58 B10R1.137 CCOC(=O)C=C1COC1 W9531 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.137 CCOC(=O)CC1CCC1 4959AB [1,0,0,1,0,0|0,0,1]=3 60 B10R1.197 CCC1CCNC(=O)CC1 0938AE [1,0,0,1,0,0|1,0,1]=4 61 B10R1.149 COC(=O)C1=C(N)CCC1 7484AB [1,0,0,1,0,0|1,0,1]=4 62 B10R1.149 COC(=O)C1COCC1=O 8499AB [1,0,0,1,0,0|1,0,0]=3 63 B10R1.4 CCOC1=CCCCC1=O 3081AB [0,0,0,1,1,0|1,0,0]=3 64 B10R1.212 CCOC(=O)C(Br)C1CC1 X9405 [0,0,0,1,1,0|1,0,1]=4 65 B10R1.401 CCOC(=O)C1(N)CCC1 3052AH [0,0,0,1,1,0|1,0,1]=4 66 B12R1.17 CCOC(=O)C1CCCC(=O)C1 W5538 [0,0,0,1,0,1|0,0,0]=2 67 B12R1.17 CCOC(=O)C1CCCC(O)C1 6057AC [0,0,0,1,0,1|0,0,2]=4 68 B12R1.318 CCCC(=O)N[C@H]1CCSC1=O 1918AH [0,0,0,1,0,1|0,1,0]=3 69 B12R1.521 CCOC(=O)CC(=O)CC1CC1 9568AB [0,1,0,1,0,0|0,0,0]=2 70 B12R1.32 CCOC(=O)C=C1CCCCC1 7799AA [0,1,0,1,0,0|1,0,1]=4 71 B12R1.32 CCOC(=O)CC1CCCNC1 4120AJ [0,1,0,1,0,0|1,0,1]=4 72 B12R1.32 CCOC(=O)CC1CCNCC1 W3689 [0,1,0,1,0,0|1,0,1]=4 73 B12R1.32 CCOC(=O)CC1CCNCC1 W7206 [0,1,0,1,0,0|1,0,1]=4 74 B12R1.32 CCOC(=O)CC1CCOCC1 X8652 [0,1,0,1,0,0|1,0,1]=4 75 B12R1.32 CCOC(=O)CN1CCOCC1 W5418 [0,1,0,1,0,0|2,0,0]=4 76 B12R1.308 CCOC(=O)C1=C(C)OCCC1 7617AC [0,1,0,1,0,0|1,0,1]=4 77 B12R1.308 CCOC(=O)C1=C(N)CCCC1 2221AA [0,1,0,1,0,0|1,0,1]=4 78 B12R1.308 CCOC(=O)C1CCCCC1O 4152AB [0,1,0,1,0,0|0,0,2]=4 79 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O W7351 [0,1,0,1,0,0|0,0,2]=4 80 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1929AB [0,1,0,1,0,0|0,0,0]=2 81 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 3760AF [0,1,0,1,0,0|2,0,0]=4 82 B12R1.316 CCOC(=O)[C@H]1CCCN1CC 4133AL [0,1,0,1,0,0|2,0,0]=4 83 B12R1.1687 COC(=O)C(=O)CC(=O)C1CC1 5371AD [0,1,0,1,0,0|2,0,0]=4 84 B12R2.5121 O=C1CCCC2(C1)OCCO2 6736AB [0,0,0,2,0,0|0,0,2]=4 85 B12R2.2028 [C@@H]12CCCC[C@H]1C(=O)OC2=O 3963AL [0,0,0,2,0,0|2,0,0]=4 86 B12R2.2028 [C@H]12CCCC[C@@H]1C(=O)OC2=O 3943AL [0,0,0,2,0,0|2,0,0]=4 87 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,0,0,0,1,0|0,0,0]=2 88 B8R0.3 CCCC(=O)N(C)OC 1862AA [1,0,0,0,1,0|2,0,0]=4 89 B8R0.3 CCOC(=O)C(=O)CC W3459 [1,0,0,0,1,0|0,0,0]=2 90 B8R0.3 CCOC(=O)C(O)CC 5067AH [1,0,0,0,1,0|0,0,2]=4 91 B12R0.285 CCCC(=O)O[Ca]OC(=O)CCC 7933AF [0,0,0,0,0,2|2,0,0]=4