0 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.48 COCC(=O)NCC(=O)O CSC000194626 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.26 CCOC(=O)CN(C)C(C)C CSC000227145 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,1,0,0,0,0|3,0,0]=4 10 B10R0.78 OC(=O)CCC(=O)NCC=C CSC000216152 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.96 CC(C)CC(=O)NCC(=O)O CSC000194594 [0,1,0,0,0,0|3,0,0]=4 12 B10R0.96 CC(C)NC(=O)CCC(=O)O CSC000199435 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [0,1,0,0,0,0|0,0,0]=1 14 B10R0.108 CCOC(=O)CNC(=O)CN CSC011367924 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.108 CCOC(=O)NCC(=O)OC CSC000161429 [0,1,0,0,0,0|1,0,0]=2 16 B10R0.108 CCOC(=O)NNC(=O)NC CSC000021938 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.109 CCOC(=O)CCC(F)(F)F CSC011215681 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.109 CCOC(=O)CNS(=O)(=O)C CSC000238371 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.64 CC1OCCC1NC(=O)C CSC013100664 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.64 NC(=O)CN1CCCC1=O CSC000182930 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.113 CC(=O)N1CCC=C(C1)F CSC015770237 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.113 CC1CN(CCO1)C(=O)C CSC000243026 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.113 C[C@H]1CN(CCO1)C(=O)C CSC047888309 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,0,0,1,0,0|0,0,0]=1 29 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,0,0|1,0,1]=3 30 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,0,0,0,0,1|2,0,1]=4 31 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,0,0,0,0,1|0,0,0]=1 32 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,0,0,0,0,1|0,0,0]=1 33 B10R0.3 COCC(=O)NCCC(=O)O CSC000195326 [0,0,0,0,0,1|3,0,0]=4 34 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|0,0,1]=3 35 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|0,0,1]=3 38 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,1,0,0,0,0|0,0,2]=4 42 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,1]=3 44 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|0,0,1]=3 45 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [1,1,0,0,0,0|0,0,1]=3 46 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.2 CCCCCCOC(=O)C CSC000032130 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.2 CCOCCCNC(=O)C CSC000161218 [1,1,0,0,0,0|0,0,1]=3 49 B9R0.46 CCCCCCC(=O)OC CSC011215249 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.55 CC(=O)CCCOC(=O)C CSC000031019 [1,1,0,0,0,0|0,0,2]=4 51 B9R0.55 CC(C)OCCOC(=O)C CSC000006670 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.23 COC(=O)[C@@H](C)NC(=O)C CSC011995889 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.23 COC(=O)[C@H](C)NC(=O)C CSC011418566 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.44 CCOC(=O)CC(C)(C)C CSC000170348 [0,1,0,0,1,0|1,0,1]=4 56 B9R0.44 CCOC(=O)CC(C)(F)F CSC000070698 [0,1,0,0,1,0|1,0,1]=4 57 B9R0.44 CCOC(=O)CS(=O)(=O)C CSC011215758 [0,1,0,0,1,0|1,0,0]=3 58 B9R0.53 CC(C)CC(=O)OC(C)C CSC000170143 [0,1,0,0,1,0|1,0,1]=4 59 B11R0.141 CCOC(=O)CCN(C)C(C)C CSC011277828 [0,1,0,0,0,1|1,0,1]=4 60 B11R0.174 CCOC(=O)CSCC(=O)OC CSC000151535 [0,1,0,0,0,1|0,0,0]=2 61 B11R0.54 CCOC(=O)CN(C)S(=O)(=O)C CSC011258064 [0,2,0,0,0,0|2,0,0]=4 62 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [0,2,0,0,0,0|2,0,0]=4 63 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,2,0,0,0,0|0,0,0]=2 64 B11R0.46 COCCNC(=O)CCC(=O)O CSC011309817 [0,2,0,0,0,0|2,0,0]=4 65 B11R0.34 CC(=C)CNC(=O)OC(C)(C)C CSC000729452 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.34 CC(C)(C)NC(=O)CCC(=O)O CSC000186398 [0,2,0,0,0,0|2,0,0]=4 67 B11R0.34 CC(C)(C)OC(=O)NCC(=O)N CSC011579669 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.9 CCOC(=O)CCN(CC)CC CSC000177620 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.62 CCNC(=O)NNC(=O)OCC CSC000008331 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.62 CCOC(=O)CNC(=O)OCC CSC011354237 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,0,0,1,0,1|0,0,0]=2 72 B11R1.48 CCN1CC(CC1=O)C(=O)N CSC000216119 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.159 CC1N(CCNC1=O)C(=O)C CSC011855486 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.21 CN1CCN(CC1=O)C(=O)C CSC012128539 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.23 CCC(=O)N1CCNC(=O)C1 CSC000158427 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.23 CNC(=O)N1CCNC(=O)C1 CSC000235016 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.228 CNC(=O)CN1CCCC1=O CSC000206200 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.228 COC(=O)CN1CCCC1=O CSC000240980 [0,1,0,1,0,0|2,0,0]=4 79 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,0,0,0,0,2|1,0,0]=3