0 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.6 COC(=O)CCCSC CSC011216297 [1,0,0,0,0,0|1,0,2]=4 13 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|0,0,2]=3 15 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,1,0,0,0,0|0,0,2]=3 18 B10R0.2 CCNC(=O)CC(=O)NCC CSC000076010 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,1,0,0,0,0|0,0,3]=4 21 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,1,0,0,0,0|0,0,2]=3 23 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,1,0,0,0,0|0,0,3]=4 25 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,1,0,0,0,0|0,0,2]=3 26 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,0,0,1,0,0|0,0,0]=1 30 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,0,0,1,0,0|1,0,1]=3 31 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [0,0,0,1,0,0|1,0,2]=4 35 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,0,0,1,0,0|0,0,2]=3 38 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,0,0,1,0,0|2,0,1]=4 39 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,1]=3 44 B9R0.18 CCCNC(=O)NCCC CSC000163711 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|0,0,1]=3 47 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [1,1,0,0,0,0|0,0,1]=3 48 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|0,0,2]=4 50 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|0,0,1]=3 51 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|0,0,2]=4 54 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [1,1,0,0,0,0|1,0,1]=4 56 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [0,2,0,0,0,0|0,0,2]=4 57 B11R0.5 CCCNC(=O)CC(=O)OCC CSC000058579 [0,2,0,0,0,0|0,0,1]=3 58 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [0,2,0,0,0,0|1,0,1]=4 59 B11R0.62 CCNC(=O)NNC(=O)OCC CSC000008331 [0,2,0,0,0,0|2,0,0]=4 60 B11R0.62 CCOC(=O)CNC(=O)OCC CSC011354237 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.1 CCOC(=O)CC(=O)NC(C)C CSC000058733 [0,2,0,0,0,0|1,0,1]=4 62 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,2,0,0,0,0|0,0,2]=4 63 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,2,0,0,0,0|0,0,2]=4 64 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,2,0,0,0,0|0,0,2]=4 65 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [1,0,0,1,0,0|1,0,1]=4 66 B11R1.16 CCOC(=O)C1CCC=CC1 CSC011212228 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.16 CCOC(=O)C1CCC=CO1 CSC000082644 [0,1,0,1,0,0|0,0,2]=4 68 B11R1.30 CCOC(=O)C=C1CCCC1 CSC000054197 [0,1,0,1,0,0|0,0,0]=2 69 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [0,1,0,1,0,0|0,0,2]=4 71 B11R1.199 CCOC(=O)c1c[nH]cc1C CSC000047047 [0,1,0,1,0,0|0,0,2]=4 72 B11R1.199 CCOC(=O)c1cc[nH]c1C CSC000074837 [0,1,0,1,0,0|0,0,2]=4 73 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,1,0,1,0,0|0,0,2]=4 74 B11R1.199 CCOC(=O)c1ccnn1C CSC011581699 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.199 CCOC(=O)c1ccoc1C CSC011212792 [0,1,0,1,0,0|0,0,2]=4 76 B11R1.199 CCOC(=O)c1ccsc1C CSC012181354 [0,1,0,1,0,0|0,0,2]=4 77 B11R1.199 CCOC(=O)c1cn[nH]c1C CSC011191310 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.199 CCOC(=O)c1conc1C CSC000034737 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.199 CCOC(=O)c1csnc1C CSC009882359 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.199 CCOC(=O)c1ncoc1C CSC000698399 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.15 CCOC(=O)c1ccn(n1)C CSC011997104 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.15 CCOC(=O)c1cnc(s1)C CSC011594455 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.15 CCOC(=O)c1cnn(c1)C CSC000725471 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.15 CCOC(=O)c1coc(c1)C CSC000708973 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.15 CCOC(=O)c1coc(n1)C CSC000070820 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [0,1,0,1,0,0|0,0,2]=4