0 B8R0.4 CCCCCCCSC CSC000033844 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 CCCCCCSCC CSC000073868 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.4 CCCCCSCCO CSC011215970 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.4 CCCCSCCCC CSC000025195 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.4 CCSCCOCCO CSC011409966 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.4 CSCCCCCCO CSC012179070 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.4 CSCCCCCSC CSC009866234 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 CCSCCSCC CSC000031094 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|0,1,1]=3 16 B9R0.5 COCCNC(C)COC CSC000743196 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.18 CCCCC(=O)OCCC CSC000169915 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,1,0,0,0,0|0,0,1]=2 21 B9R0.18 CCCNC(=O)NCCC CSC000163711 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.18 CN(CCCN)CCCN CSC000032369 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.45 CCCCCCSCCO CSC011304839 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.45 CCCCSCCOCC CSC000053094 [0,1,0,0,0,0|0,0,0]=1 25 B9R0.45 CCSCCCCSCC CSC000116838 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.45 CSCCCCCCSC CSC000036278 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|0,0,1]=3 34 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|0,0,0]=2 35 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|0,1,1]=4 36 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,2,0,0,0,0|2,0,0]=4 37 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,2,0,0,0,0|0,1,1]=4 40 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|0,1,1]=4 41 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.97 CC(C)CCSCCC(C)C CSC000043246 [0,2,0,0,0,0|0,0,0]=2 44 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,2,0,0,0,0|0,1,1]=4 45 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|0,1,1]=4 47 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.116 CCCCS(=O)(=O)CCCC CSC000034987 [0,2,0,0,0,0|0,0,1]=3 51 B10R0.116 CCCCS(=O)(=O)CCCO CSC000063389 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.71 CCCCCCCSCCO CSC011304838 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.71 CCCCSCCOCCO CSC011409991 [0,2,0,0,0,0|0,0,0]=2 54 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.10 CCCN1CCCC(C1)N CSC011435248 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.10 CCNC1CCCC(C1)C CSC000201243 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [0,1,0,1,0,0|1,0,0]=3 58 B10R1.16 CCCNC1CCC(C1)C CSC012090475 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.16 COCCN1CCC(C1)O CSC011773437 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.16 COCCN1CC[C@@H](C1)O CSC011851956 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.16 COCCN1CC[C@H](C1)O CSC011852003 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.16 CSCCN1CCC(C1)C CSC046509566 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.16 OC1CCN(C1)CCCF CSC012862546 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.16 O[C@@H]1CCN(C1)CCCF CSC012862561 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.16 O[C@H]1CCN(C1)CCCF CSC012862562 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.18 CC(C)CN1CCCCC1 CSC000240348 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.39 CCN1CCCC1C(C)C CSC015945522 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.64 CC(C)CN1CCCC1C CSC046256365 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.64 CC(C)NC1CCCC1C CSC011836758 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.66 CC(C)CCN1CCCC1 CSC000224194 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.66 CC(C)NCC1CCCC1 CSC011269212 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.141 CCCNC1CCC1(C)C CSC014782461 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.162 CCN1CCCCC(C1)C CSC015250241 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.173 CCC1CCC1NC(C)C CSC016159355 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.348 CC(C)N1CCCCCC1 CSC000209149 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.11 CCCN(C)C1CCCC1 CSC048500926 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.11 CCNC(C)C1CCCC1 CSC011351776 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.19 CCN1CCSCCC1C CSC046211526 [0,1,0,1,0,0|0,0,0]=2 80 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.25 CCN1CC[C@H](C[C@H]1C)C [0,1,0,1,0,0|2,0,0]=4 82 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.29 CCCSC1CCOC1C CSC015237125 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.29 CSCCN1CCCC1C CSC046123987 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,1,0,1,0,0|1,0,0]=3 87 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.96 CCCN1CCC(C1)CC CSC046395421 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.130 CCCN1CC(CC1C)C CSC046637471 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.197 CCN1CCCC(CC1)C CSC015405514 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.245 CCN1C(CCCC1C)C CSC046955512 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.245 CCN1[C@H](CCC[C@H]1C)C [0,1,0,1,0,0|2,0,0]=4 94 B10R1.257 CCC1C(CCN1CC)C CSC046189359 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.257 CCC1CCC(N1CC)C CSC015376771 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.4 CCCN1CCSCC1C CSC049076201 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.17 CCCCN1CCNCC1 CSC011194250 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.17 CCCCN1CCOCC1 CSC000224583 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.17 CCCCN1CCSCC1 CSC015913980 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.17 CCCNC1CCOCC1 CSC000714517 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.17 CCCSC1CCCOC1 CSC015250190 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.17 CCNCC1CCCCC1 CSC000201244 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,1,0,1,0,0|0,1,0]=3 107 B10R1.17 COCCN1CCNCC1 CSC000235850 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.17 COCCN1CCOCC1 CSC000234383 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.17 NCCCN1CCNCC1 CSC011455964 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.17 NCCCN1CCOCC1 CSC000210481 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.32 CCC1CC(CN1CC)C CSC047924255 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.187 CCCN1C(CCC1C)C CSC048289177 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.1 CCNC1CCC(CC1)C CSC000188952 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.2 CCN1CCCC(C1C)C CSC046618708 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.15 CCC(C)N1CCCCC1 CSC011997704 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.15 CCN(C)C1CCCCC1 CSC046083630 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.27 CCC(C)CN1CCCC1 CSC012721617 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.27 CCC(C)NC1CCCC1 CSC000199863 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.27 CCN(C)CC1CCCC1 CSC046197611 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.94 CCCN1CCC(C1C)C CSC046173972 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.149 CCC(C)N1CCCC1C CSC015425123 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.172 CCC1CCCN(C1)CC CSC046135315 [0,1,0,1,0,0|2,0,0]=4 132 B10R2.193 C1CC1NC2CCCC2 CSC000201573 [0,0,0,2,0,0|2,0,0]=4