0 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 ACI-02683 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl ACI-01386 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.308 CCOC(=O)C1=CC=CN=C1N ACI-04974 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl ACI-00519 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl ACI-01607 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.308 N#CCC(=O)C1=CC=CC=C1F ACI-01088 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.308 O=C(N=C=S)C1=CC=CC=C1Cl ACI-01608 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.308 O=CNC(=O)C1=CC=CC=C1O WS-02D-008 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 ACI-NI-00119 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SB-05G-001 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.222 COC(=O)C1=CC=CN=C1Br ACI-01378 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.222 COC(=O)C1=CC=CN=C1Cl ACI-01376 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.12 CCOC(=O)C1=C(C)C(I)=CC=C1 ACI-01769 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.12 CCOC(=O)C1=C(O)C(O)=CC=C1 ACI-04219 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.12 CCOC(=O)C1=CC=CC(Cl)=C1Cl ACI-01764 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.446 CCOC(=O)C1=C(C)C=CC(Br)=C1 ACI-02590 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.446 CCOC(=O)C1=C(Cl)N=NC(Cl)=C1 ACI-04739 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.446 CCOC(=O)C1=CC(C)=CN=C1Br WS-04E-007 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1F ACI-01760 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.464 CCOC(=O)C1=CC=CN=C1CBr ACI-01390 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 ACI-01833 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=C1 ACI-01741 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.1511 CCOC(=O)C1=C(N)C=C(Cl)N=C1 FD-10K-004 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.1511 CCOC(=O)C1=CC=C(Br)C=C1Cl ACI-01734 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.1511 CCOC(=O)C1=CC=C(C)C=C1Br ACI-01766 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1C ACI-01346 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.1511 CCOC(=O)C1=CN=C(O)C=C1O ACI-04958 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.1511 CCOC(=O)C1=CN=C(O)N=C1C ACI-01034 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.1511 CCOC(=O)C1=CN=C([O-])N=C1C SB-09A-002 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Br WS-04E-012 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Cl ACI-01003 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.4453 CCOC(=O)C1=C(Cl)C=CN=C1C ACI-06267 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.45 CCC1=C(Br)C2=C(C=CC=C2)O1 ACI-00892 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.199 CCOC(=O)C1=C(C)C=NN1 ACI-04854 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.199 CCOC(=O)C1=C(C)C=NO1 ACI-04858 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.199 CCOC(=O)C1=C(C)N=CS1 ACI-00581 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.199 CCOC(=O)C1=C(C)OC=N1 ACI-00947 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.199 CCOC(=O)C1=C(C)ON=C1 ACI-NI-00034 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.199 CCOC(=O)C1=CNC=C1C ACI-05839 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.199 CCOC(=O)C1=CNN=C1I ACI-03802 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.199 CCOC(=O)C1=CNN=C1O ACI-01049 [0,0,0,0,1,0|2,0,0]=3 48 B11R1.199 CCOC(=O)C1=CSN=C1C ACI-00940 [0,0,0,0,1,0|3,0,0]=4 49 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 ACI-01058 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 ACI-01059 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 ACI-00479 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 JL-11I-002 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.16 CCOC(=O)C1=CC=C(N)C=N1 ACI-03797 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 RH-05K-012 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.16 CCOC(=O)C1=CC=C(O)N=N1 JL-11I-003 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 ACI-NI-00399 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 ACI-01214 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.17 CCOC(=N)C1=CC(Br)=CC=C1 SB-10F-002 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.17 CCOC(=N)C1=CC(Cl)=CC=C1 ACI-01057 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 ACI-02048 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.17 CCOC(=O)C1=CC(N)=CN=C1 ACI-00473 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 ACI-04970 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.17 CCOC(=O)C1=CN=NC(Cl)=C1 ACI-04741 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 ACI-01380 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 ACI-04221 [1,1,0,0,0,0|0,0,0]=2 82 B12R1.24 COC(=O)C1=C(O)C(O)=NC=N1 ACI-06396 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1O ACI-05675 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.24 COC(=O)C1=CC=CC(F)=C1O ACI-05676 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.24 COC(=O)C1=CC=CC(O)=C1O ACI-05677 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.24 O=C(NO)C1=CC=CC(Cl)=C1O ACI-05695 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.24 O=C(NO)C1=CC=CC(F)=C1O ACI-05696 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.24 O=C(NO)C1=CC=CC(O)=C1O ACI-05697 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.77 CCC(=O)C1=CC=CC=C1OC ACI-04020 [1,1,0,0,0,0|0,0,0]=2 90 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Br ACI-04026 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Cl ACI-04025 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1F ACI-04021 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.124 CC1=C(C(=O)C(C)Br)C=CC=C1 ACI-04029 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.354 CC1=CC=C(O)C(C(=O)NO)=C1 ACI-05701 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 ACI-03786 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.354 COC(=O)C1=CC(Br)=CN=C1C ACI-06404 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl ACI-00874 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.354 COC(=O)C1=CC(Br)=CN=C1O ACI-00875 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.354 COC(=O)C1=CC(C)=CC=C1O ACI-05681 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O ACI-05678 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1Cl ACI-01387 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.354 COC(=O)C1=CC(I)=CC=C1O ACI-05680 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.354 COC(=O)C1=CC(I)=CN=C1Cl ACI-01377 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.354 COC(=O)C1=CC(I)=CN=C1O ACI-01006 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.354 O=C(NO)C1=CC(Cl)=CC=C1O ACI-05698 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.354 O=C(NO)C1=CC(I)=CC=C1O ACI-05700 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.1703 CC1=CC=C(C(=O)NO)C(O)=C1 ACI-05693 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 RH-15H-001 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=N1 ACI-04831 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=N1 ACI-04828 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [1,1,0,0,0,0|0,0,0]=2 112 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1F SB-05B-001 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F ACI-00472 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.1703 O=C(NO)C1=C(O)C=C(Cl)C=C1 SB-12E-002 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.1703 O=C(NO)C1=CC=C(Br)C=C1O ACI-05702 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.1703 O=C(NO)C1=CC=C(F)C=C1O ACI-05690 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.1703 O=C(NO)C1=CC=C(O)C=C1O ACI-05691 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O ACI-05666 [1,1,0,0,0,0|0,0,0]=2 124 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O ACI-05667 [1,1,0,0,0,0|0,0,0]=2 125 B12R1.3441 O=C(CBr)C1=C(F)C=CC=C1F ACI-01719 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.3441 O=C(NO)C1=C(F)C=CC=C1O ACI-05686 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.3441 O=C(NO)C1=C(O)C=CC=C1O ACI-05687 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.313 CCOC(=O)C1=CN(C)N=C1O ACI-01048 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.1579 CCOC(=O)C1=CNC(Br)=C1C ACI-05840 [0,1,0,0,1,0|2,0,0]=4 130 B14R1.7265 CCOC(=O)C1=CN=C(O)C(C)=C1O ACI-04379 [0,2,0,0,0,0|1,0,0]=3 131 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CN=C1F ACI-03846 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.4451 CC(C)(C)OC(=O)C1=CC=NC=C1F ACI-03844 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.4451 CC(C)(C)OC(=O)C1=NC=CC=C1F ACI-03850 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.6052 CC(C)OC(=O)C1=CC(N)=CC=C1Cl ACI-04232 [0,2,0,0,0,0|1,0,0]=3 135 B14R1.599 CCOC(=O)C1=C(CBr)C=CC(Br)=C1 ACI-02591 [0,2,0,0,0,0|1,0,0]=3 136 B14R1.601 CCOC(=O)C1=CC(CC)=CN=C1C ACI-01381 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.160 CN(C)\C=N\C(=O)C1=CC=CC=C1O ACI-00091 [0,2,0,0,0,0|1,0,1]=4 138 B14R1.3624 CCN(CC)C(=O)C1=CC=CC=C1O FD-09F-002 [0,2,0,0,0,0|1,0,0]=3 139 B14R1.18811 CCOC(=O)C1=C(O)C=C(C)N=C1O SB-07F-001 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.312 CCOC(=O)C1=NOC(C=O)=C1 ACI-NI-00286 [0,0,1,1,0,0|2,0,0]=4 141 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [1,0,0,1,0,0|1,1,0]=4 142 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [1,0,0,1,0,0|1,0,0]=3 143 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [1,0,0,1,0,0|2,0,0]=4 144 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [1,0,0,1,0,0|1,0,0]=3 146 B14R2.1129 CCC1=C(C=O)C2=C(C=CC=C2)O1 ACI-00891 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.11 CCOC(=N)C1=CC=CS1 ACI-00584 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.11 CCOC(=O)C1=CC=CN1 ACI-00655 [1,0,0,0,1,0|1,0,0]=3 149 B10R1.11 CCOC(=O)C1=CC=NN1 WS-04J-001 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.11 CCOC(=O)C1=CN=CS1 ACI-00692 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.149 COC(=O)C1=C(O)C=CS1 ACI-00880 [1,0,0,0,1,0|1,0,0]=3 152 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-001 [1,0,0,0,1,0|2,0,0]=4 153 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-003 [1,0,0,0,1,0|2,0,0]=4 154 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1C ACI-05899 [0,0,0,0,0,2|1,0,0]=3 155 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F ACI-05900 [0,0,0,0,0,2|1,0,0]=3