0 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 CS-0109544 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 COC(=O)C#CC1=CC=CC=C1 CS-0063867 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 CS-0093846 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 O=C(O)C#CC1=CC=CC=N1 CS-0038414 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0060616 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 CS-0109600 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 CS-0061883 [0,1,0,0,0,0|0,0,2]=3 8 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 CS-0091630 [0,1,0,0,0,0|0,0,2]=3 9 B13R1.15 COC(=O)\C=C\C1=CC(F)=CN=C1 CS-0080202 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.15 COC(=O)\C=C\C1=CC=CC(C)=N1 CS-0037297 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CS-0110084 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=N1 CS-0036494 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 CS-0088304 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 CS-0044117 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 CS-0061703 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.528 COC(=O)CCC1=CC=CC=C1Br CS-W010269 [0,1,0,0,0,0|0,0,2]=3 17 B13R2.10 NC1=NOC(C2=CC=CC=C2)=C1 CS-0104853 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 CS-0094278 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 CS-W017933 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.10 O=C1N=C(C2=CC=CC=C2)NS1 CS-0078579 [0,0,0,1,0,0|2,1,0]=4 21 B13R2.10 O=C1N=C(C2=CN=CC=C2)NO1 CS-0038674 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS-0039132 [0,0,0,1,0,0|1,0,1]=3 23 B13R2.10 O=C1NC(C2=CC=CC=C2)CS1 CS-0050784 [0,0,0,1,0,0|1,1,1]=4 24 B13R2.10 S=C1C=C(C2=CC=CC=C2)SS1 CS-0110126 [0,0,0,1,0,0|1,2,0]=4 25 B13R2.32 CC1=CC=C2C=CC=NC2=C1C CS-0089828 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 CS-0102222 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CS-0095240 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CS-0067386 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS-W021958 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.57 COC1=CC2=NC=NC=C2C=C1 CS-0084770 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS-W022551 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.57 COC1=CN=C2C=CC=NC2=C1 CS-0081671 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS-0060584 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.25 COC(=O)\C=C\C1=CC=CS1 CS-0062383 [0,0,0,0,1,0|1,0,0]=2 35 B11R1.40 CCC(=O)CC1=CC=CC=C1 CS-0112591 [0,0,0,0,1,0|1,0,1]=3 36 B11R1.40 CNC(=O)NC1=CC=CC=C1 CS-0112589 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.40 COC(=O)CC1=CC=NN=C1 CS-0049197 [0,0,0,0,1,0|2,0,1]=4 38 B11R1.40 COC(=O)CC1=NC=CC=N1 CS-0061881 [0,0,0,0,1,0|2,0,1]=4 39 B11R1.40 COC(=O)CC1=NC=NC=C1 CS-0053943 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.40 NNC(=O)NC1=CC=CC=C1 CS-0100039 [0,0,0,0,1,0|3,0,0]=4 41 B13R1.718 COC(=O)C\N=C\C1=CC=CC=C1 CS-M1077 [0,0,0,0,0,1|0,0,1]=2 42 B10R1.17 O=CCSC1=CC=CC=C1 CS-0102366 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.8 OCCC\C=C\C1=CC=CC=C1 CS-0078210 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC1=CC=C(\C=C\B(O)O)C=C1 CS-0110015 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 CS-0102800 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 CS-0072209 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0088991 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 CS-0031463 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 CS-0059994 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 CS-0099849 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 CS-0106072 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 CS-0066979 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.125 CC(=O)SCC1=CC=CC=C1Cl CS-0036273 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.125 CC(C)=CCC1=C(N)C=CC=C1 CS-0112107 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl CS-0062438 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.226 C(C1=CC(F)=CC=C1)=CN(=O)=O CS-0043813 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.226 CC(=O)NCC1=CC(N)=CC=C1 CS-0098160 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.51 CCOC(=O)\C=C\C1=CSC=C1 CS-0036976 [0,1,0,0,1,0|1,0,0]=3 63 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 CS-M0641 [0,1,0,0,1,0|0,0,1]=3 64 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 CS-0061793 [0,1,0,0,1,0|0,0,1]=3 65 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,1,0,0,1,0|1,0,1]=4 66 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 CS-0099715 [0,1,0,0,1,0|0,0,1]=3 67 B12R1.50 COC(=O)CC1=CC(C)=CN=C1 CS-0049204 [0,1,0,0,1,0|1,0,1]=4 68 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS-W004989 [0,1,0,0,1,0|0,0,1]=3 69 B12R1.50 COC(=O)CC1=CC=CC(C)=N1 CS-0061376 [0,1,0,0,1,0|1,0,1]=4 70 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 CS-0035872 [0,1,0,0,1,0|1,0,1]=4 71 B12R1.371 CNC(=O)CC1=CC=CC=C1Cl CS-0037557 [0,1,0,0,1,0|1,0,1]=4 72 B12R1.371 COC(=O)CC1=CC=CC=C1F CS-0061879 [0,1,0,0,1,0|0,0,1]=3 73 B12R1.371 COC(=O)CC1=NC=CC=C1Br CS-0049209 [0,1,0,0,1,0|1,0,1]=4 74 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 CS-0112225 [0,1,0,0,0,1|0,0,1]=3 75 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 CS-0038474 [0,1,0,0,0,1|1,0,1]=4 76 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 CS-0110784 [0,1,0,0,0,1|0,0,0]=2 77 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 CS-0091534 [0,1,0,0,0,1|0,0,2]=4 78 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 CS-0021369 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 CS-0061625 [0,2,0,0,0,0|0,0,2]=4 80 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 CS-0047587 [0,2,0,0,0,0|0,0,0]=2 81 B14R1.727 COC(=O)C=CC1=C(F)C=C(F)C=C1 CS-0038427 [0,2,0,0,0,0|0,0,0]=2 82 B14R1.727 COC(=O)CCC1=CC=C(O)C=C1C CS-0002178 [0,2,0,0,0,0|0,0,2]=4 83 B14R1.833 COC(=O)\C=C\C1=CC(F)=C(F)C=C1 CS-0038021 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 CS-0036477 [0,2,0,0,0,0|0,0,2]=4 85 B14R1.820 COC(=O)\C=C\C1=C(N)N=CC(F)=C1 CS-0081629 [0,2,0,0,0,0|1,0,0]=3 86 B14R1.820 COC(=O)\C=C\C1=CC(Br)=CN=C1N CS-0083215 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.156 COCNC(=O)OCC1=CC=CC=C1 CS-0059823 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br CS-0109992 [0,2,0,0,0,0|0,0,0]=2 89 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Cl CS-0035691 [0,2,0,0,0,0|0,0,0]=2 90 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1F CS-0090951 [0,2,0,0,0,0|1,0,0]=3 91 B14R1.598 CCOC(=O)\C=C\C1=NC=CC=C1F CS-0090929 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.1007 COC(=O)C(Br)CC1=CC=CC=C1Cl CS-0098509 [0,2,0,0,0,0|0,0,2]=4 93 B14R1.1007 COC(=O)[C@H](N)CC1=CC=CC=C1C CS-0088965 [0,2,0,0,0,0|0,0,2]=4 94 B14R1.1007 COC(=O)[C@H](N)CC1=CC=CC=C1C CS-0088968 [0,2,0,0,0,0|0,0,2]=4 95 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 CS-W005778 [0,0,1,1,0,0|1,0,1]=4 96 B12R1.354 COC(=O)C1=CC(C)=CC=C1F CS-0059150 [0,0,1,1,0,0|1,0,1]=4 97 B12R1.354 COC(=O)C1=CC(O)=CC=C1Br CS-B1202 [0,0,1,1,0,0|2,0,0]=4 98 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 CS-0048980 [0,0,1,1,0,0|2,0,0]=4 99 B12R2.1 CON1C=CC2=C1C=CC=C2 CS-0106939 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [1,0,0,1,0,0|0,0,2]=4 101 B12R2.24 CC1=NC2=CC=CC=C2C=N1 CS-0099614 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 CS-0052753 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CS-0085121 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.18 CC1=CC2=CC=CC=C2N1C CS-W010998 [0,0,0,1,1,0|2,0,0]=4 105 B14R2.68 O=C1NN=C(C2=CC=CC=C2)CO1 CS-0100314 [0,0,0,1,0,1|1,0,0]=3 106 B14R2.95 COC(=O)C1=C2C=CC=CN2C=N1 CS-0048888 [0,0,0,1,0,1|1,0,0]=3 107 B14R2.95 COC(=O)C1=C2C=CC=CN2N=C1 CS-0085166 [0,0,0,1,0,1|1,0,0]=3 108 B14R2.95 COC(=O)C1=CN=C2C=NC=CN12 CS-0048891 [0,0,0,1,0,1|2,0,0]=4 109 B14R2.95 COC(=O)C1=CSC2=CN=CN=C21 CS-0085434 [0,0,0,1,0,1|2,0,0]=4 110 B14R2.95 COC(=O)C1=NNC2=CC=CN=C21 CS-0049242 [0,0,0,1,0,1|2,0,0]=4 111 B14R2.95 COC(=O)C1=NNC2=CC=NC=C21 CS-0049239 [0,0,0,1,0,1|2,0,0]=4 112 B14R2.95 COC(=O)C1=NNC2=CN=CC=C21 CS-0049245 [0,0,0,1,0,1|2,0,0]=4 113 B14R2.95 COC(=O)C1=NNC2=NC=CC=C21 CS-0049248 [0,0,0,1,0,1|2,0,0]=4 114 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 CS-0062218 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1O CS-0061735 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.1019 CSC1=CC(=O)C2=CC=CC=C2S1 CS-0081216 [0,1,0,1,0,0|0,2,0]=4 117 B14R2.20 CC1=CC=C(C2=NOC(N)=C2)C=C1 CS-0085263 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 CS-0085329 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 CS-0085264 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 CS-0040493 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.134 COC1=CC2=CC(N)=CC=C2C=C1 CS-0108594 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.22 NC1=CC(C2=CC=CC(Br)=C2)=NO1 CS-0085337 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=N1 CS-0062120 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.142 COC1=CC=C2N=CC=C(I)C2=C1 CS-0102694 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.142 COC1=NC2=C(Br)C=CC=C2C=C1 CS-0067348 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.142 COC1=NC2=C(C=C1)NC=CC2=O CS-0062020 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 CS-W006802 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.2332 CCC1=CC2=CC=C(O)C=C2C=C1 CS-0061462 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.2332 COC1=CC2=C(C=C1)C=C(Cl)N=C2 CS-0081538 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=N1 CS-0035482 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.29369 CN1C(=O)C=NC2=CC(Br)=CC=C21 CS-0112133 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 CS-0060606 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.112 NCCC1=NC2=CC=CC=C2C=C1 CS-D0088 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 CS-0055581 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS-D0719 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.972 COC(=O)C1=CC2=CN=CC=C2S1 CS-0081744 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 CS-D0493 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 CS-0067843 [0,1,0,1,0,0|1,0,0]=3 139 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 CS-0061868 [0,1,0,1,0,0|1,0,0]=3 140 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2O1 CS-0062612 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.1128 COC1=C(Br)C=C2C=CC=NC2=C1 CS-0062124 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.1128 COC1=CC2=C(C=C1F)N=CC=C2 CS-0062006 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.1128 COC1=CC2=C(C=CN=C2)C=C1I CS-0092017 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [1,0,0,0,1,0|1,0,1]=4 145 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-W018039 [1,0,0,0,1,0|1,0,0]=3 146 B10R1.15 COC(=N)C1=CC=CC=C1 CS-0037087 [0,0,0,0,2,0|1,0,0]=3 147 B10R1.15 COC(=O)C1=CC=NC=N1 CS-0036314 [0,0,0,0,2,0|2,0,0]=4 148 B10R1.15 O=C(CF)C1=CC=CC=C1 CS-0037091 [0,0,0,0,2,0|2,0,0]=4 149 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 CS-0049144 [0,0,0,0,0,2|0,0,2]=4