0 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|1,0,2]=4 1 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,0,0,0,0|0,0,3]=4 2 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,1,0,0,0,0|1,0,1]=3 4 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.14 OCC1=C(CO)SC=C1 W18906 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,0,0,1,0,0|1,0,2]=4 10 B9R1.15 CC1=NC=CC=C1CN 72802 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.15 CC1=NC=CN=C1CO P10784 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.15 O=C1NC=CC=C1CO P16012 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.33 CN1C=CC=C1CCN 70855 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.33 CN1C=CC=C1CCO F13299 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,1,0,0|0,0,2]=3 19 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,0,0,1,0,0|0,0,2]=3 20 B6R0.6 CC\C=C/CCI 98107 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.1 CCCC(=O)OCCO D81566 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.6 COC\C=C\C(=O)OC P17071 [1,1,0,0,0,0|2,0,0]=4 23 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,2,0,0,0,0|2,0,0]=4 24 B8R1.2 BrCC1=CCCCC1 37274 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.8 CNCC1=CC=NO1 27030 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,1,0,0|1,0,0]=3 31 B8R1.11 CC1=C(CO)C=CO1 30727 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.11 CC1=CSC=C1CO 57803 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.11 CN1C=CC=C1CN 88916 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.11 CN1C=CC=C1CO D82110 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,1,0,1,0,0|1,0,1]=4 36 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,1,0,1,0,0|1,0,1]=4 37 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,1,0,1,0,0|1,0,1]=4 38 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,1,0,1,0,0|1,0,1]=4 39 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,1,0,0|0,0,2]=4 40 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,1,0,0|2,0,0]=4 41 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,1,0,1,0,0|1,0,1]=4 42 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [0,1,0,1,0,0|0,0,2]=4 43 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,1,0,1,0,0|1,0,1]=4 44 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.245 CC1=CC=CC(F)=C1CO W16613 [0,1,0,1,0,0|0,0,2]=4 46 B10R1.245 CC1=CC=CC(O)=C1CO C74535 [0,1,0,1,0,0|0,0,2]=4 47 B10R1.245 CC1=CC=NC(C)=C1CO W18063 [0,1,0,1,0,0|1,0,1]=4 48 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [0,1,0,1,0,0|0,0,2]=4 49 B10R1.4 CCOC1=NC=CC=C1O 79061 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,1,0,1,0,0|0,0,2]=4 52 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [0,1,0,1,0,0|0,0,2]=4 58 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [0,1,0,1,0,0|0,0,2]=4 59 B10R1.5 CCCN1C=NC=C1CCl P14986 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.5 CCCN1C=NC=C1CO P12457 [0,1,0,1,0,0|1,0,0]=3 61 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [0,1,0,1,0,0|0,0,2]=4 64 B10R1.20 OCC1=C(CO)C=NC=C1 30227 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.20 OCC1=C(CO)C=NC=C1 39456 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.20 OCC1=CC=CN=C1CO 75308 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.20 OCC1=CC=CN=C1CO S11918 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [0,1,0,1,0,0|0,0,2]=4 69 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [0,1,0,1,0,0|0,0,1]=3 82 B10R1.172 NCC1=CC=CC(CO)=N1 C15881 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.172 NCC1=CC=CC(CO)=N1 C73446 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.172 OCC1=CC=CC(CBr)=C1 23785 [0,1,0,1,0,0|1,0,1]=4 85 B10R2.7 C1=CN2CCNCC2=C1 50896 [0,0,0,2,0,0|2,0,0]=4 86 B10R2.32 O[C@H]1CCN2C=CN=C12 D85477 [0,0,0,2,0,0|2,0,0]=4