0 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,0,0,0,0,0|0,0,4]=4 1 B9R1.11 CCC(=O)C1=CC=CS1 001219 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.11 CNC(=O)C1CCCC1 370963 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.11 COC(=O)C1=CNC=N1 047539 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.11 COC(=O)C1=NNC=N1 092361 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.11 COC(=O)C1CCCC1 067089 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.11 COC(=O)C1CCCO1 241056 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.11 COC(=O)C1NCCS1 019515 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.11 COC(=O)N1CCCC1 061535 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.11 COC(=O)[C@@H]1CCCN1 M02956 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.11 COC(=O)[C@H]1CCCN1 M06057 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.11 COC(=O)[C@H]1CCNC1 091945 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 NCC(=O)N1CCCC1 024983 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.11 O=C(CCl)N1CCCC1 024631 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 CC(=O)C1=NC=CS1 002759 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.7 NC(=O)C1CCCC1 440626 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 NC(=O)[C@@H]1CCCN1 011847 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.7 NC(=O)[C@@H]1CCCN1 240702 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.7 NC(=O)[C@H]1CCCN1 011848 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.7 NC(=O)[C@H]1CCCN1 M02958 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 O=C(Cl)C1CCCC1 050562 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.7 O=C(O)C1=COCC1 040021 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 O=C(O)C1CCCC1 094575 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.7 O=C(O)C1CCCN1 M02942 [1,0,0,0,0,0|1,0,2]=4 24 B8R1.7 O=C(O)C1CCCO1 225736 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 O=C(O)[C@@H]1CCCN1 M02947 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.7 O=C(O)[C@@H]1CCCO1 093764 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 O=C(O)[C@H]1CCCN1 011849 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.8 CCOC1=NCCC1 037326 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.11 CCOC(=O)C1=CNC=N1 076539 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.11 CCOC(=O)C1=COC=N1 016177 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.11 CCOC(=O)C1=CSC=N1 216421 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.11 CCOC(=O)C1CCCC1 099780 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.11 CCOC(=O)[C@@H]1CCCN1 242998 [0,1,0,0,0,0|0,0,2]=3 34 B10R1.11 CNCC(=O)N1CCCC1 024779 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.11 NCCC(=O)N1CCCC1 024987 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 066958 [0,1,0,0,0,0|1,0,2]=4 37 B10R1.149 COC(=O)C1CCCC1=O 092887 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.3 CCCC(Br)C(=O)OC 099965 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.3 CCCC(C)C(=O)OC 102877 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.3 CCOC(=O)C(=O)CBr 067144 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.3 CCOC(=O)C(=O)CC 075979 [0,0,1,0,0,0|2,0,0]=3 42 B8R0.6 CCCCCC(=O)OC 103044 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.6 CCCSCC(=O)OC 095137 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.6 COC(=O)CCCCBr 210250 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.6 COC(=O)CCCCI 103067 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.20 CCC(=O)N(CC)CC 238969 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.20 CCN(CC)C(=O)CBr 044522 [0,0,1,0,0,0|3,0,0]=4 48 B8R0.20 CCN(CC)C(=O)CCl 003413 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.20 CCN(CC)C(=O)CO 454352 [0,0,1,0,0,0|3,0,0]=4 50 B8R1.38 COC(=O)C1CCC1 094004 [0,0,0,0,1,0|1,0,1]=3 51 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [0,0,0,0,0,1|0,0,3]=4 52 B10R1.15 CCC(=O)C1CCCCC1 242322 [0,0,0,0,0,1|1,0,1]=3 53 B10R1.15 CCC(=O)N1CCNCC1 024333 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.15 CNC(=O)C1CCCNC1 029249 [0,0,0,0,0,1|1,0,2]=4 55 B10R1.15 CNC(=O)C1CCNCC1 009970 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.15 COC(=O)C1CCCCC1 024556 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.15 COC(=O)C1CCCCN1 046385 [0,0,0,0,0,1|1,0,2]=4 58 B10R1.15 COC(=O)C1CCCNC1 046386 [0,0,0,0,0,1|1,0,2]=4 59 B10R1.15 COC(=O)C1CCNCC1 024861 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.15 COC(=O)C1CCNCC1 033231 [0,0,0,0,0,1|2,0,1]=4 61 B10R1.15 COC(=O)C1CCOCC1 067015 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.15 COC(=O)C1CNCCN1 011843 [0,0,0,0,0,1|1,0,2]=4 63 B10R1.15 COC(=O)N1CCNCC1 091561 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.15 COC(=O)[C@@H]1CCCCN1 093769 [0,0,0,0,0,1|1,0,2]=4 65 B10R1.15 COC(=O)[C@H]1CCCCN1 075174 [0,0,0,0,0,1|1,0,2]=4 66 B10R1.15 NCC(=O)N1CCCCC1 024984 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.15 NCC(=O)N1CCNCC1 019588 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.15 NCC(=O)N1CCOCC1 024826 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.15 O=C(CCl)N1CCCCC1 024977 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.15 O=C(CCl)N1CCNCC1 019601 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.15 O=C(CCl)N1CCOCC1 005874 [0,0,0,0,0,1|3,0,0]=4 72 B7R0.3 CCC(=O)NCCO 402339 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.3 CCCCC(=O)OC 103432 [1,0,1,0,0,0|1,0,1]=4 74 B7R0.3 CC\C=C\C(=O)OC 011184 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.3 COC(=O)CCCBr 214657 [1,0,1,0,0,0|2,0,0]=4 76 B7R0.3 COC(=O)CCCCl 386752 [1,0,1,0,0,0|2,0,0]=4 77 B7R0.3 COC(=O)CCCI 336691 [1,0,1,0,0,0|2,0,0]=4 78 B7R0.3 COC(=O)CCCN 009954 [1,0,1,0,0,0|1,0,1]=4 79 B7R0.5 CCCC(=O)C(C)=O 099591 [1,0,1,0,0,0|1,0,0]=3 80 B7R0.5 CCOC(=O)C(C)=O 033125 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.5 CC\C=C(/C)C(=O)O 002778 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.5 CC\C=C(/C)C(=O)O 102663 [1,0,1,0,0,0|2,0,0]=4 83 B7R0.10 CCC(=O)C(=O)CC 464571 [1,0,1,0,0,0|1,0,0]=3 84 B7R0.10 CCC(=O)N(C)OC 306492 [1,0,1,0,0,0|2,0,0]=4 85 B7R0.10 CCC(C)C(=O)NC 102997 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.10 CCC(C)C(=O)OC 035885 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.10 CCN(C)C(=O)CBr 075255 [1,0,1,0,0,0|2,0,0]=4 88 B7R0.10 CCN(C)C(=O)CCl 080286 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.10 C\C=C(/C)C(=O)OC 099352 [1,0,1,0,0,0|1,0,1]=4 90 B7R0.4 CC(=O)CCCCCl 240931 [1,0,1,0,0,0|1,0,1]=4 91 B7R0.4 CCCCCC(C)=O 104307 [1,0,1,0,0,0|1,0,1]=4 92 B7R0.4 CCCCNC(C)=O 103568 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.4 CCCCOC(C)=O 098991 [1,0,1,0,0,0|2,0,0]=4 94 B7R0.4 CCCCOC(C)=O 102158 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.4 CCC\C=C\C(=O)O 002797 [1,0,1,0,0,0|2,0,0]=4 96 B7R0.15 CCC(CC)C(C)=O 046100 [1,0,1,0,0,0|1,0,1]=4 97 B7R1.1 C(=O)N1CCCC1 341911 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.1 CCC1=NCCO1 336609 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.1 COC1=NCCC1 008046 [2,0,0,0,0,0|1,0,0]=3 100 B7R1.1 CSC1=NCCN1 013665 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.1 ClCC1=NCCN1 023424 [2,0,0,0,0,0|2,0,0]=4 102 B9R0.35 CCCC(Br)C(=O)OCC 236752 [0,1,1,0,0,0|1,0,1]=4 103 B9R0.35 CCOC(=O)C(=O)OCC 094696 [0,1,1,0,0,0|2,0,0]=4 104 B9R0.1 COC(=O)\C=C\CC(C)C 011191 [0,1,1,0,0,0|2,0,0]=4 105 B9R0.5 CCCCCC(=O)OCC 103045 [0,1,1,0,0,0|1,0,1]=4 106 B9R0.5 CCCCOC(=O)CCS 520900 [0,1,1,0,0,0|2,0,0]=4 107 B9R0.5 CCOC(=O)CCCCBr 078683 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.5 CCOC(=O)CCCCI 103069 [0,1,1,0,0,0|1,0,1]=4 109 B9R0.5 CCO\C=C\C(=O)OCC 049964 [0,1,1,0,0,0|2,0,0]=4 110 B9R0.5 CCO\C=C\C(=O)OCC 094821 [0,1,1,0,0,0|2,0,0]=4 111 B9R1.73 CCOC(=O)C1CCC1 041921 [0,1,0,0,1,0|0,0,1]=3 112 B11R1.16 CCOC(=O)C1CCCCN1 046387 [0,1,0,0,0,1|0,0,2]=4 113 B11R1.16 CCOC(=O)C1CCCCN1 243068 [0,1,0,0,0,1|0,0,2]=4 114 B11R1.16 CCOC(=O)C1CCCNC1 009838 [0,1,0,0,0,1|0,0,2]=4 115 B11R1.16 CCOC(=O)C1CCCNC1 033701 [0,1,0,0,0,1|0,0,2]=4 116 B11R1.16 CCOC(=O)C1CCNCC1 009839 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.16 CCOC(=O)C1CCNCC1 033118 [0,1,0,0,0,1|1,0,1]=4 118 B11R1.16 CCOC(=O)N1CCNCC1 021571 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 050064 [0,1,0,0,0,1|0,0,2]=4 120 B11R1.16 CNCC(=O)N1CCCCC1 024781 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.16 CNCC(=O)N1CCOCC1 024782 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.16 NCCC(=O)N1CCOCC1 041824 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.36 CC(C)C(=O)N1CCNCC1 024332 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.36 CC(Cl)C(=O)N1CCOCC1 042422 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.36 CC(N)C(=O)N1CCCCC1 358604 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.15 CCOC(=O)C1CC(O)CN1 060070 [0,2,0,0,0,0|0,0,2]=4 127 B11R1.199 CCOC(=O)C1CCCC1=O 078870 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O 103578 [0,2,0,0,0,0|1,0,1]=4 129 B9R1.3 CC1CCCC(C)C1=O 493733 [0,0,1,1,0,0|1,0,1]=4 130 B9R1.1 CCC1CCC(=O)CC1 078867 [0,0,1,1,0,0|1,0,1]=4 131 B9R1.50 O=C1CCCCCCC1 237170 [0,0,1,1,0,0|1,0,1]=4 132 B9R2.39 O=C1CC2CCC1C2 463393 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.18 CC(=O)C1CCC1 513334 [1,0,0,0,1,0|0,0,1]=3 134 B7R1.18 NC(=O)C1CCC1 243268 [1,0,0,0,1,0|1,0,1]=4 135 B7R1.18 O=C(Cl)C1CCC1 009110 [1,0,0,0,1,0|1,0,1]=4 136 B7R1.18 O=C(O)C1CCC1 003366 [1,0,0,0,1,0|1,0,1]=4 137 B7R1.22 CNC(=O)C1CC1 527999 [0,0,0,0,2,0|1,0,1]=4 138 B7R1.22 COC(=O)C1CC1 022090 [0,0,0,0,2,0|1,0,1]=4 139 B7R1.22 O=C(CBr)C1CC1 064670 [0,0,0,0,2,0|1,0,1]=4 140 B9R1.6 CC(=O)C1CCCCC1 045203 [1,0,0,0,0,1|1,0,1]=4 141 B9R1.6 CC(=O)N1CCCCC1 032562 [1,0,0,0,0,1|2,0,0]=4 142 B9R1.6 CC(=O)N1CCNCC1 023244 [1,0,0,0,0,1|2,0,0]=4 143 B9R1.6 CC(=O)N1CCOCC1 219038 [1,0,0,0,0,1|2,0,0]=4 144 B9R1.6 O=C(O)C1=CCNCC1 041827 [1,0,0,0,0,1|2,0,0]=4 145 B9R1.8 CCOC1=NCCCC1 044390 [1,0,0,0,0,1|1,0,0]=3