0 B6R0.1 COCC(=O)CBr AT12825 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|1,0,2]=4 2 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 N#C\C=C\CBr AT10435 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.3 O=C(CO)CBr AC6051 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CCONC(=O)CO AT24923 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.3 COC(=O)C#CCN AT20732 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.3 O=C(CO)NCCO D86391 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.10 CON(C)C(=O)CF 78564 [0,1,0,0,0,0|3,0,0]=4 9 B7R1.1 CCC1=NNC=C1 D77034 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.1 CSC1=NNC=C1 W10957 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 NCC1=CC=NS1 C77431 [0,0,0,1,0,0|2,1,0]=4 12 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 CC1=NOC(Br)=C1 AT19745 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.4 CC1=C(N)C=CS1 86771 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.4 CC1=C(N)C=CS1 AT25979 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.4 CC1=C(O)C=CS1 AT26691 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.4 C[C@H]1CONC1=O D73580 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.22 COC(=O)[C@@H]1CN1 63808 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.22 COC(=O)[C@@H]1CN1 63810 [0,0,0,1,0,0|2,0,1]=4 28 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|0,0,2]=4 29 B6R0.4 N#C\C=C\C(=O)O AC9289 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.4 NC\C=C/C(=O)O AT20734 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.4 NC\C=C\C(=O)O AT20733 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.8 CCS(=N)(=O)CC AT25733 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,2,0,0,0,0|0,0,0]=2 35 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,2,0,0,0,0|1,0,0]=3 38 B6R1.2 O=C1C=COC1 D75288 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.1 CC1=CC(C=O)=NS1 F14135 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,1,0,0|1,1,0]=4 41 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.1 CC1=NC(CBr)=CS1 D78646 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,1,0,1,0,0|1,1,0]=4 46 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,1,0,0|0,1,1]=4 47 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.1 CCC1=NOC(O)=C1 AT19691 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.1 O=C1C=C(CBr)ON1 D73595 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|0,0,2]=4 53 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|0,0,2]=4 54 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|0,0,2]=4 55 B8R1.18 CN1CC(=O)NC1=S D73591 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.18 CN1OC(=O)C=C1N AT19693 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.18 C[C@@H]1NC(=S)NC1=O D73770 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|1,0,0]=3 67 B8R1.2 CCC1=NC=CC=N1 D86044 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,1,0,1,0,0|0,0,0]=2 70 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.5 CN1C=CC=NC1=O AT19342 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.5 CN1C=NC=CC1=O D77055 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.5 O=C1NCCC=C1Br AC9842 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.5 O=C1NCCC=C1Cl 88829 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.50 CC1=CNN(C)C1=O AT14042 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.50 CC1=NC=C(N)N1C AT15327 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.50 CN1C(=O)NC=C1N AC4335 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [0,1,0,1,0,0|1,1,0]=4 85 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [0,1,0,1,0,0|1,1,0]=4 91 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.19 C[C@]1(N)CCNC1=O AT19090 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.19 C[C@]1(N)CONC1=O D73598 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.19 C[C@]1(O)CCNC1=O 94941 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.8 CNCC1=CC=NS1 AT21224 [0,1,0,1,0,0|1,1,0]=4 96 B8R1.8 NCCC1=CC=NO1 E73131 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.11 CCC1=NOC=C1N AT19803 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.11 OC[C@H]1CC=C[C@H]1O 52549 [0,1,0,1,0,0|0,0,2]=4 101 B8R1.11 OC[C@H]1CC=C[C@H]1O D77369 [0,1,0,1,0,0|0,0,2]=4 102 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,0,2]=4 103 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,1]=4 104 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,1]=4 105 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|1,0,1]=4