0 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 BrC1=C2C=CC=CN2N=C1 ACI-04684 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [1,0,0,0,0,0|1,1,0]=3 5 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [1,0,0,0,0,0|0,0,0]=1 6 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [1,0,0,0,0,0|0,1,0]=2 7 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.10 OC1=NC2=NC=CC=C2O1 SB-05C-023 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.10 SC1=NC2=C(C=CC=C2)S1 ACI-01509 [1,0,0,0,0,0|2,1,0]=4 14 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 ACI-00806 [0,1,0,0,0,0|0,1,1]=3 15 B13R2.45 CCC1=C(Br)C2=C(C=CC=C2)O1 ACI-00892 [0,1,0,0,0,0|1,0,0]=2 16 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 ACI-00929 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.45 CN1C(CCl)=NC2=C1C=CC=C2 ACI-00931 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 ACI-00932 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 ACI-00953 [0,1,0,0,0,0|0,1,1]=3 20 B13R2.135 O=CC1=C(S)NC2=C1C=CC=C2 ACI-00936 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 ACI-01570 [0,0,1,0,0,0|2,1,0]=4 22 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,0,1,0,0,0|3,0,0]=4 25 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,0,0,0,0,1|2,0,0]=3 27 B13R2.328 CC1=CC(Cl)=C2C=CC=CC2=N1 ACI-01333 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.328 CN1CC(=O)OC2=CC=CC=C21 ACI-02217 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 ACI-00807 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=N1 ACI-01109 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O ACI-01114 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.369 CN1CC2=CC=CC=C2OC1=O ACI-02212 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.369 ClC1=C(Cl)N=C2C=CC=CC2=N1 ACI-01331 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 ACI-01325 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.124 CC(C(=O)O)C1=CC=CC=C1O ACI-04385 [0,1,1,0,0,0|1,0,1]=4 40 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.283 CCOC1=CC=CC=C1C(=N)N RH-07B-001 [0,1,1,0,0,0|1,0,1]=4 42 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 ACI-04221 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1O ACI-05675 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.24 COC(=O)C1=CC=CC(F)=C1O ACI-05676 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.24 COC(=O)C1=CC=CC(O)=C1O ACI-05677 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.308 O=CNC(=O)C1=CC=CC=C1O WS-02D-008 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.354 COC(=O)C1=CC(C)=CC=C1O ACI-05681 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O ACI-05678 [0,1,1,0,0,0|2,0,0]=4 49 B12R1.354 COC(=O)C1=CC(I)=CC=C1O ACI-05680 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O ACI-05666 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O ACI-05667 [0,1,1,0,0,0|2,0,0]=4 57 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [1,1,0,0,0,0|0,0,0]=2 58 B12R2.1 N#CC1=CNC2=C1C=CC=C2 ACI-00379 [1,1,0,0,0,0|1,0,1]=4 59 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [1,1,0,0,0,0|0,0,1]=3 60 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [1,1,0,0,0,0|0,1,1]=4 61 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [1,1,0,0,0,0|0,0,0]=2 62 B12R2.132 CC1=CC=C2ON=C(O)C2=C1 ACI-05661 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 ACI-05326 [1,1,0,0,0,0|0,1,0]=3 64 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 JM-03G-003 [1,1,0,0,0,0|0,1,0]=3 65 B12R2.132 CC1=CSC2=CC=C(F)C=C12 JM-04J-011 [1,1,0,0,0,0|0,1,0]=3 66 B12R2.132 OC1=NOC2=CC=C(Cl)C=C21 ACI-05659 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.132 OC1=NOC2=CC=C(I)C=C21 ACI-05660 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.196 OC1=NOC2=C(Cl)C=CC=C12 ACI-05654 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.196 OC1=NOC2=C(F)C=CC=C12 ACI-05655 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.196 OC1=NOC2=C(O)C=CC=C12 ACI-05656 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.203 OC1=NOC2=CC=CC(F)=C21 ACI-05647 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.203 OC1=NOC2=CC=CC(O)=C21 ACI-05648 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.612 CC1=CC=C2C(=C1)ON=C2O ACI-05653 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.612 OC1=CC=C2C(=C1)ON=C2O ACI-05651 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 ACI-00381 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.612 OC1=NOC2=CC(Br)=CC=C21 ACI-05662 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 ACI-00484 [1,1,0,0,0,0|1,1,0]=4 80 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 ACI-NI-00442 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.32 ClCC1=NC2=NC=CC=C2O1 ACI-00988 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 ACI-01522 [1,1,0,0,0,0|0,0,1]=3 84 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 SB-07D-002 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [1,1,0,0,0,0|1,0,1]=4 86 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [1,1,0,0,0,0|0,0,1]=3 87 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [1,1,0,0,0,0|0,1,1]=4 88 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.32 OCC1=CC2=C(N=CC=C2)S1 ACI-02152 [1,1,0,0,0,0|1,1,0]=4 90 B12R2.32 OCC1=CN2C=CC=CC2=N1 ACI-04809 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.202 CC1=CN2C(C)=CC=CC2=N1 JM-08K-005 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 ACI-05945 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 ACI-00966 [1,1,0,0,0,0|1,1,0]=4 94 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 ACI-02618 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O ACI-00322 [0,1,0,0,0,1|1,0,1]=4 96 B14R2.1146 COC1=NC(Cl)=CC2=CC=CC=C21 SB-08B-001 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1I RH-09K-002 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.44 CNCC1=NC2=CC=CC=C2N1C RH-11D-001 [0,2,0,0,0,0|2,0,0]=4 99 B14R2.1060 CC1=C(C=O)SC2=CC=C(Cl)C=C21 JM-03G-004 [0,2,0,0,0,0|0,1,1]=4 100 B14R2.1129 CCC1=C(C=O)C2=C(C=CC=C2)O1 ACI-00891 [0,2,0,0,0,0|0,0,1]=3 101 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,1,1,0,0|2,0,0]=4 102 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,0,1,1,0,0|1,0,1]=4