0 B8R0.7 CCCCSCC(=C)C CSC000026947 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 CCCCSCC(C)C CSC000018356 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,1,0,0,0,0|1,0,2]=4 3 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,1,0,0,0,0|0,0,2]=3 5 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,1,0,0,0,0|1,0,1]=3 6 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.38 CCCCCNS(=O)(=O)C CSC000180709 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|0,0,2]=3 11 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.47 CNCCCN(C)C(=O)C CSC012025734 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.55 CC(=O)CCCOC(=O)C CSC000031019 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.55 CC(C)OCCOC(=O)C CSC000006670 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.55 CN(C)CCCNC(=O)C CSC000159965 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.6 CC(=O)N1CCSCC1 CSC011323056 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.13 CC(=O)NC1CCSC1 CSC012483018 [0,0,0,1,0,0|2,0,1]=4 25 B8R0.9 CC(CBr)COC(=O)C CSC009841261 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.21 CCCCNS(=O)(=O)C CSC000169617 [1,1,0,0,0,0|2,0,0]=4 27 B10R0.98 CC(C)CCNC(=O)C(=O)N CSC000013945 [0,2,0,0,0,0|2,0,0]=4 28 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,2,0,0,0,0|1,0,1]=4 29 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,2,0,0,0,0|0,0,2]=4 30 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,2,0,0,0,0|0,0,2]=4 31 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,2,0,0,0,0|0,0,2]=4 32 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,2,0,0,0,0|1,0,1]=4 33 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,2,0,0,0,0|2,0,0]=4 34 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|0,0,2]=4 35 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|0,0,2]=4 36 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|1,0,1]=4 37 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.75 CCCCCCC(=O)N(C)C CSC011221090 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.75 CCCCCNC(=O)C(=O)N CSC048324000 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.75 COCCCNC(=O)C(=O)O CSC000238783 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.97 CC(C)OCCCNC(=O)C CSC000161839 [0,2,0,0,0,0|1,0,1]=4 45 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,2]=4 46 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|1,0,1]=4 48 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.83 CCCCNC(=O)C(=O)NC CSC016213076 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.13 CC1CCN(CC1)C(=O)C CSC000161169 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.10 CCCN1CCC=C(C1)F CSC046127184 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.16 CCNCc1ccc(s1)C CSC000189073 [0,1,0,1,0,0|0,1,1]=4 53 B10R1.16 CCNCc1nc(cs1)C CSC011401589 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [0,1,0,1,0,0|0,0,2]=4 55 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,1,0,1,0,0|0,0,2]=4 57 B10R1.18 CC(=O)NC1CCCOC1 CSC011884898 [0,1,0,1,0,0|1,0,1]=4 58 B10R1.18 CC(=O)NC1CCSCC1 CSC011670947 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,1,0,1,0,0|0,0,2]=4 60 B10R1.39 CC(=O)N1CCCC1CN CSC000706156 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.39 CC(=O)N1CCCC1CO CSC011474066 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.39 CC(=O)N1CCC[C@H]1CO CSC012003343 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.64 CC1OCCC1NC(=O)C CSC013100664 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.66 CC(=O)NCC1CCCN1 CSC011696608 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.66 CC(=O)NCC1CCSC1 CSC014215000 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.66 CC(=O)NN=C1CCCC1 CSC000004134 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.15 CNC(=O)C1CCCCC1 CSC000159838 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.15 CNC(=O)C1CCCCO1 CSC012026083 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [0,1,0,1,0,0|0,0,0]=2 78 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.27 CNC(=O)NC1CCCC1 CSC000235269 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|0,0,2]=4 85 B10R1.27 ClCC(=O)NC1CCCC1 CSC000183512 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.27 NCC(=O)NC1CCCC1 CSC000168434 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|0,0,2]=4 88 B10R1.23 CN(C1CCCC1)C(=O)C CSC011196654 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.23 NC(=O)C(=O)N1CCCC1 CSC048036079 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.23 OC(=O)C(=O)N1CCCC1 CSC000238780 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.113 CC(=O)N1CCCC(C1)N CSC011448215 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,1,0,1,0,0|1,0,1]=4 93 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.113 CC(=O)N1CCC[C@H](C1)N CSC012662833 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.113 CC1CCCN(C1)C(=O)C CSC000158579 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.353 CC(=O)NCC1(CCC1)N CSC013341849 [0,1,0,1,0,0|1,0,1]=4