0 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.4 CC(C)NC(=O)NCCN CSC011374587 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,0,0,0,0,0|0,0,0]=1 8 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|0,0,0]=1 15 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.5 COCCNC(=O)COC CSC000157859 [1,0,0,0,0,0|3,0,0]=4 17 B11R0.2 CCCCCOC(=O)CC(C)C CSC000054031 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,1,0,0,0,0|0,0,0]=1 19 B11R0.165 CC(C)(C)CC(=O)NCCC#C CSC011979668 [0,1,0,0,0,0|1,0,2]=4 20 B11R0.165 CC(C)(C)OC(=O)NCCCF CSC012914718 [0,1,0,0,0,0|3,0,0]=4 21 B11R0.165 CSCCNC(=O)OC(C)(C)C CSC011923903 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.77 CC(C)CN(C)C1CCCC1 CSC046144318 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.77 CC(C)NC(=O)C1CCCC1 CSC000157569 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.77 CC(C)NC(=O)C1CCOC1 CSC011569545 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.77 CC(C)NC(=O)[C@@H]1CCNC1 CSC020179856 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.77 CC(C)NC(=O)[C@H]1CCNC1 CSC018272542 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.77 CC(N)CC(=O)N1CCCC1 CSC011356990 [0,0,0,1,0,0|2,0,0]=3 28 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,0,0,0,1,0|2,0,0]=3 29 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,0,0,0,1,0|1,0,0]=2 30 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,0,0,0,1,0|2,0,0]=3 31 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,0,0,0,1,0|0,0,0]=1 32 B9R0.47 COCCNC(=O)C(C)C CSC000242828 [0,0,0,0,1,0|2,0,0]=3 33 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,0,0,0,0,1|1,0,0]=2 34 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,0,0,0,0,1|1,0,1]=3 35 B8R0.4 CCCCSCCCC CSC000025195 [2,0,0,0,0,0|0,1,1]=4 36 B8R0.7 CCCCSCC(C)C CSC000018356 [2,0,0,0,0,0|0,1,0]=3 37 B8R0.1 CCCCS(=O)CCO CSC000117714 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.1 CCOC(=O)CCSC CSC000173045 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.1 CCOC(=O)CSCC CSC000172126 [2,0,0,0,0,0|2,0,0]=4 40 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [1,1,0,0,0,0|0,0,2]=4 41 B10R0.97 CC(C)CCSCCC(C)C CSC000043246 [1,1,0,0,0,0|0,1,1]=4 42 B10R0.18 CCCNC(=O)NC(C)CC CSC000163167 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.28 CCCNC(=O)NC(C)(C)C CSC000163414 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [1,1,0,0,0,0|1,0,0]=3 45 B10R0.96 CC(C)CNC(=O)CC(C)C CSC000160783 [1,1,0,0,0,0|1,0,0]=3 46 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [1,1,0,0,0,0|0,0,0]=2 48 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.1 CCCCCNC(=O)COC CSC000157996 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|0,0,0]=2 52 B10R0.1 COCCCNC(=O)COC CSC000159247 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [1,1,0,0,0,0|2,0,0]=4 54 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [1,1,0,0,0,0|2,0,0]=4 56 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,1,0,0,0,0|1,0,0]=3 57 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [1,1,0,0,0,0|1,0,0]=3 58 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [1,1,0,0,0,0|2,0,0]=4 59 B10R0.5 CCCCNC(=O)C(C)(C)C CSC011197060 [0,1,0,0,1,0|1,0,0]=3 60 B10R0.5 CCCCOC(=O)C(C)(Cl)Cl CSC000077209 [0,1,0,0,1,0|1,0,0]=3 61 B10R0.5 COCCNC(=O)C(C)(C)C CSC011196966 [0,1,0,0,1,0|2,0,0]=4 62 B10R0.26 CCCC(C)NC(=O)C(C)C CSC000172014 [0,1,0,0,1,0|1,0,0]=3 63 B10R0.98 CC(C)CCNC(=O)C(C)C CSC000171972 [0,1,0,0,1,0|1,0,0]=3 64 B10R0.98 CC(C)CCOC(=O)C(C)C CSC000024460 [0,1,0,0,1,0|0,0,0]=2 65 B12R0.44 CC(C)CCOC(=O)CCC(=O)C CSC000076651 [0,1,0,0,0,1|1,0,1]=4 66 B12R0.98 CSCCC(N)C(=O)NCC(C)C CSC000030925 [0,1,0,0,0,1|2,0,0]=4 67 B12R0.142 CCCSCC(=O)NCC(C)CN CSC056834817 [0,1,0,0,0,1|2,0,0]=4 68 B12R0.142 CCCSCC(=O)NCC(C)NC CSC057124566 [0,1,0,0,0,1|2,0,0]=4 69 B12R0.142 CNCCCC(=O)NCC(C)SC CSC013438381 [0,1,0,0,0,1|2,0,0]=4 70 B12R0.142 CSC(C)CNC(=O)NCCCO CSC017021815 [0,1,0,0,0,1|2,0,0]=4 71 B12R0.255 CSCCCNC(=O)NC[C@@H](C)O CSC019711513 [0,1,0,0,0,1|2,0,0]=4 72 B12R0.649 CCCSCC(=O)NCC(C)(C)N CSC057241075 [0,1,0,0,0,1|2,0,0]=4 73 B12R0.4 CCC=CCCOC(=O)C=C(C)C CSC018788465 [0,2,0,0,0,0|0,0,2]=4 74 B12R0.4 CCCCCCNC(=O)CC(C)C CSC017395171 [0,2,0,0,0,0|1,0,0]=3 75 B12R0.4 CCCCCCOC(=O)CC(C)C CSC000047473 [0,2,0,0,0,0|0,0,0]=2 76 B12R0.46 CSCCCNC(=O)C(C)C(C)N CSC013350681 [0,2,0,0,0,0|2,0,0]=4 77 B12R0.46 CSCCCNC(=O)[C@@H](N)C(C)C CSC011959057 [0,2,0,0,0,0|1,0,0]=3 78 B12R0.113 CSC(C)CC(=O)NCCCC#N CSC017439125 [0,2,0,0,0,0|1,0,1]=4 79 B12R0.113 CSCCCNC(=O)NC(C)CO CSC017442434 [0,2,0,0,0,0|2,0,0]=4 80 B12R0.125 CC(C)(C)OC(=O)NCCCCO CSC011218717 [0,2,0,0,0,0|2,0,0]=4 81 B12R0.125 CSCCCNC(=O)CC(C)(C)N CSC012126927 [0,2,0,0,0,0|1,0,0]=3 82 B12R0.270 CC(C)NC(=O)NCCCS(=O)C CSC012053581 [0,2,0,0,0,0|2,0,0]=4 83 B12R0.140 CC(O)CCNC(=O)OC(C)(C)C CSC011997227 [0,2,0,0,0,0|2,0,0]=4 84 B12R0.697 CC(C)CS(=O)(=O)NCCC(C)O CSC012166152 [0,2,0,0,0,0|2,0,0]=4 85 B12R0.215 CCCCC(CC)C(=O)OC(C)C CSC011834260 [0,2,0,0,0,0|2,0,0]=4 86 B12R0.346 CSC(C)CNC(=O)[C@@H](N)C(C)C CSC013251046 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.18 CC(C)CN1CCCCC1 CSC000240348 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.64 CC(C)CN1CCCC1C CSC046256365 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.66 CC(C)CCN1CCCC1 CSC000224194 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.54 CC(C)CN1CCC(C1)C CSC047749369 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.168 CCC1CN(C1)CC(C)C CSC047705990 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.180 CCCNC(=O)NC1CC1 CSC000163581 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.266 CC(C)CN(C)C1CCC1 CSC048870913 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.266 CC(C)NC(=O)[C@H]1CCN1 CSC046217760 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.266 CN(C)CC(=O)N1CCC1 CSC016130100 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [1,0,0,1,0,0|1,0,0]=3 98 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.186 COCCNC(=O)C1CC1 CSC000157847 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.186 OCCCNC(=O)C1CC1 CSC000208351 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.23 CC(C)C(=O)N1CCCC1 CSC000171300 [0,0,0,1,1,0|1,0,0]=3 106 B10R1.23 CC(O)C(=O)N1CCCC1 CSC011315629 [0,0,0,1,1,0|2,0,0]=4 107 B10R1.23 CN(C)C(=O)C1CCCC1 CSC000159596 [0,0,0,1,1,0|2,0,0]=4 108 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 CSC009825761 [0,0,0,1,1,0|2,0,0]=4 109 B10R1.23 C[C@H](O)C(=O)N1CCCC1 CSC009854435 [0,0,0,1,1,0|2,0,0]=4 110 B10R1.204 CC(N)C(=O)NC1CCC1 CSC011664422 [0,0,0,1,1,0|2,0,0]=4 111 B10R1.204 C[C@@H](N)C(=O)NC1CCC1 CSC011664423 [0,0,0,1,1,0|2,0,0]=4 112 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 CSC015314306 [0,0,0,1,1,0|2,0,0]=4 113 B10R1.204 C[C@H](N)C(=O)NC1CCC1 CSC011664417 [0,0,0,1,1,0|2,0,0]=4 114 B10R1.204 C[C@H](O)C(=O)NC1CCC1 CSC015378953 [0,0,0,1,1,0|2,0,0]=4 115 B12R1.2132 CCCCOC(=O)C1CC1(F)F CSC000084581 [0,0,0,1,0,1|2,0,0]=4 116 B12R1.260 CC(C)CC(=O)NC1CCCC1 CSC000160933 [0,1,0,1,0,0|1,0,0]=3 117 B12R1.260 CC(C)NC(=O)NC1CCCC1 CSC000241165 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.107 CC(C)NC(=O)C1CCCCC1 CSC000157553 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.107 CC(C)NC(=O)C1CCCNC1 CSC011209359 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.107 CC(C)NC(=O)C1CCNCC1 CSC011209358 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.107 CC(C)NC(=O)C1CNCCO1 CSC011543305 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.107 CC(C)NC(=O)C1COCCO1 CSC011262975 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.107 CC(C)NC(=O)[C@H]1CNCCO1 CSC046231037 [0,1,0,1,0,0|2,0,0]=4 124 B12R1.107 CN(C)CC(=O)N1CCCOC1 CSC049041251 [0,1,0,1,0,0|2,0,0]=4 125 B12R1.107 CN(C)CC(=O)N1CCOCC1 CSC000174704 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)O CSC012447300 [0,1,0,1,0,0|1,0,0]=3 127 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)O CSC012447094 [0,1,0,1,0,0|1,0,0]=3 128 B12R1.2685 CC(C)NC(=O)NC1CC1(C)C CSC011436097 [0,1,0,1,0,0|2,0,0]=4 129 B12R1.2685 CC(C)NC(=O)N[C@H]1CC1(C)C CSC046665341 [0,1,0,1,0,0|2,0,0]=4 130 B12R1.15 CCC(C)NC(=O)C1CCCC1 CSC000157930 [0,1,0,1,0,0|2,0,0]=4 131 B12R1.265 CC(C)(C)NC(=O)C1CCCC1 CSC000171341 [0,1,0,1,0,0|2,0,0]=4 132 B12R1.265 CC(C)(C)OC(=O)N1CCCC1 CSC011219598 [0,1,0,1,0,0|2,0,0]=4 133 B12R1.265 CC(C)(N)CC(=O)N1CCCC1 CSC012126323 [0,1,0,1,0,0|1,0,0]=3 134 B12R1.1399 CC(C)(C)NC(=O)NCC1CC1 CSC011211355 [0,1,0,1,0,0|2,0,0]=4 135 B12R1.1401 CC(C)(C)NC(=O)NC1CCC1 CSC012768538 [0,1,0,1,0,0|2,0,0]=4 136 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [0,0,0,0,0,2|1,0,0]=3