0 B11R1.40 COC(=O)CC1=CN=CN=C1 CS-0492722 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 COC(=O)NC1=CC=CC=C1 CS-0066443 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 NC(=S)CC1=CC=CC=C1 CS-0206469 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.32 COC[C@H](N)CC1=CC=CC=C1 CS-0431739 [0,1,0,0,0,0|1,0,1]=3 5 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 CS-0448494 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 CS-0440095 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.34 COC(=O)C(O)C1=CC=CN=C1 CS-0258905 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 CS-0514534 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.50 CCC(O)CC1=CC(Cl)=CC=C1 CS-0715713 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.50 COC(=O)NC1=CC=CC(Cl)=C1 CS-0576221 [0,1,0,0,0,0|1,0,0]=2 12 B12R2.23 NC1CCC1C2=CC=CC=C2 CS-0461489 [0,0,0,1,0,0|2,0,1]=4 13 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 CS-0473434 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 CS-0120025 [0,0,0,1,0,0|1,0,0]=2 15 B12R2.24 O=C1CC2=CN=CC=C2CN1 CS-0451759 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.24 O=C1CCC2=CC=NC=C2N1 CS-0458474 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 S=C1NC2=CC=CC=C2CS1 CS-0212999 [0,0,0,1,0,0|1,2,0]=4 18 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [0,0,0,0,1,0|1,0,1]=3 19 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [0,0,0,0,1,0|2,0,0]=3 20 B10R1.15 CCC(O)C1=CC=CC=C1 CS-W013334 [0,0,0,0,1,0|1,0,2]=4 21 B10R1.15 C\C(=N/O)C1=CC=CC=C1 CS-0160349 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.27 COC(=O)CC1=COC=C1 CS-0526938 [0,0,0,0,1,0|1,0,0]=2 23 B12R1.27 COC(=O)CCC1=CN=CN=C1 CS-0239574 [0,0,0,0,0,1|2,0,0]=3 24 B12R1.27 COC(=O)CNC1=NC=CC=N1 CS-0347579 [0,0,0,0,0,1|2,0,0]=3 25 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 CS-0150952 [0,0,0,0,0,1|1,0,1]=3 26 B12R1.27 NCC(=O)NCC1=CC=CC=C1 CS-0186551 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.8 C=C=CC1=CC=CC=C1 CS-0594920 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.8 C=CSC1=CC=CC=C1 CS-0040679 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.1 CNCCC1=CC=C(O)C=C1 CS-0209581 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.1 COCOC1=CC=C(Cl)C=C1 CS-0193630 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 CS-0454208 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 CS-0999046 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.28 COCCNC1=CC=CC=C1 CS-0242309 [1,1,0,0,0,0|0,0,1]=3 34 B11R1.28 ICCOCC1=CC=CC=C1 CS-0146879 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.28 OCCOCC1=CC=CC=C1 CS-0896052 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CS-W018180 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 CS-0063380 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS-0042104 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.20 CC(=O)SC1=CC=C(I)C=C1 CS-1050905 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 CS-0643411 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.20 O=C(O)CC1=NNC(=O)C=C1 CS-0199664 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 CS-0745167 [1,1,0,0,0,0|0,0,2]=4 43 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CS-0323911 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.86 NC1=CN=CC=C1CC(=O)O CS-0268540 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.86 NC1=NC=CC=C1CC(=O)O CS-W021378 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.157 CC(=O)NC1=CC=CC(C)=C1 CS-0204499 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 CS-0155013 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.157 CC(N)CC1=CC(O)=CC=C1 CS-0875034 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 CS-0173242 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.157 O=C(O)CC1=NC(O)=CC=C1 CS-0364724 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0182200 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 CS-0204411 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 CS-0020960 [0,1,0,0,1,0|1,0,0]=3 54 B11R1.22 COC(=O)C1=CN=C(N)C=N1 CS-0049007 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.22 NC1=CC=C(C(=O)NO)C=C1 CS-0459768 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 CS-0013318 [0,1,0,0,1,0|1,0,0]=3 57 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 CS-0764716 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 CS-0168493 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 CS-0163817 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 CS-W007184 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.23 COC(=O)C1=CC(C)=CC=C1 CS-0008741 [0,1,0,0,1,0|0,0,0]=2 62 B11R1.23 COC(=O)C1=NN=CC(Cl)=C1 CS-0653812 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.222 COC(C)C1=CC=CC=C1N CS-0616718 [0,1,0,0,1,0|1,0,1]=4 64 B11R1.222 NC1=CC=CC=C1C(=O)NO CS-0033806 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.222 O=C(CO)C1=CC=CC=C1Cl CS-0308332 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.222 O=C(O[Na])C1=CC=CC=C1O CS-2008 [0,1,0,0,1,0|1,0,0]=3 67 B11R1.31 COC(=O)C(C)C1=CC=CS1 CS-0275328 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 CS-0210314 [0,1,0,0,0,1|0,0,0]=2 69 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 CS-W015691 [0,1,0,0,0,1|0,0,1]=3 70 B13R1.14 O=C(COC1=CC=C(Cl)C=C1)O[Na] CS-0138152 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.15 C=CC(=O)NCC1=CC(C)=CC=C1 CS-1048186 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC CS-0158062 [0,1,0,0,0,1|0,0,0]=2 73 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 CS-0576301 [0,1,0,0,0,1|1,0,0]=3 74 B13R1.528 COC(=O)CNC1=CC=CC=C1I CS-0347575 [0,1,0,0,0,1|0,0,0]=2 75 B13R1.528 O=C(CCl)NCC1=CC=CC=C1F CS-0461136 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 CS-0049542 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 CS-0049540 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.19 CNCC(=O)NC1=CC=C(C)C=C1 CS-0219576 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.19 COCC(=O)NC1=CC=C(O)C=C1 CS-0260929 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 CS-0643417 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 CS-0970761 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.470 CCOC(=O)CC1=C(C)C=NC=C1 CS-0635663 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.470 CCOC(=O)CC1=NC=CC=C1Cl CS-0370351 [0,2,0,0,0,0|1,0,0]=3 84 B13R1.470 CCOC(=O)CC1=NC=CC=C1F CS-0458859 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.21 COC(=O)[C@H](N)C1=CC=C(O)C=C1 CS-W014809 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.22 COC(=O)[C@H](O)C1=CC=CC(Cl)=C1 CS-0361666 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.696 COC(=O)C(=O)C1=CC=CC=C1Cl CS-0138344 [0,2,0,0,0,0|0,0,1]=3 88 B13R1.133 CN(C)C(=O)NC1=CC=C(Cl)C=C1 CS-0013941 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.148 O=C(O)C(=O)CC1=CC(F)=CC=C1 CS-0679654 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.2879 COC(=O)CC1=CC(F)=C(Br)C=C1 CS-0061878 [0,2,0,0,0,0|0,0,0]=2 91 B13R1.81 COC(=O)CC1=NC(OC)=CC=C1 CS-0130867 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.2872 COC(=O)CC1=NC(Cl)=CC=C1Br CS-0185156 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.2874 COC(=O)CC1=CC(Br)=CC(C)=N1 CS-0140619 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.2874 COC(=O)CC1=CC(Cl)=CC(Br)=C1 CS-0886187 [0,2,0,0,0,0|0,0,0]=2 95 B13R1.2874 COC(=O)CC1=CC(Cl)=NC(Cl)=C1 CS-0771437 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.2874 COC(=O)CC1=CC(O)=NC(S)=N1 CS-0456693 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.4928 COC(=O)CC1=C(Cl)N=CN=C1Cl CS-W019007 [0,2,0,0,0,0|2,0,0]=4 98 B11R2.10 CC1=CC2=CC=CC=C2C1 CS-W021717 [1,0,0,1,0,0|1,0,0]=3 99 B11R2.10 CC1CC2=CC=CC=C2O1 CS-W013370 [1,0,0,1,0,0|0,0,2]=4 100 B11R2.10 O=C1CC2=CC=NC=C2N1 CS-0052559 [1,0,0,1,0,0|2,0,0]=4 101 B13R2.32 CC1=C2C=CC=CC2=CNC1=O CS-0757985 [0,0,0,1,0,1|1,0,1]=4 102 B13R2.32 CN1C(=O)OCC2=CC=CN=C21 CS-0614613 [0,0,0,1,0,1|2,0,0]=4 103 B13R2.3028 CN1C(=O)NC2=CC=C(N)C=C21 CS-0371181 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 CS-W000845 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2N1 CS-0155444 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.155 O=C1NC2=CC(Br)=CC=C2CO1 CS-0130409 [0,1,0,1,0,0|1,0,0]=3 107 B13R2.4856 CN1C(=O)NC2=CC=CC(N)=C21 CS-0567133 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.5190 CN1C(=O)CC2=C1C=CC(Cl)=C2 CS-0654820 [0,1,0,1,0,0|1,0,0]=3 109 B13R2.5190 CN1C(=O)CC2=CC(Br)=CN=C21 CS-0055949 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 CS-M0068 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2Br CS-0055872 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.6 CC(=O)C1=CN=CN=C1 CS-D0295 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.6 C[C@@H](Cl)C1=CC=CC=C1 CS-0851644 [1,0,0,0,1,0|1,0,1]=4 114 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 CS-0852321 [1,0,0,0,1,0|1,0,1]=4 115 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0870997 [1,0,0,0,1,0|0,0,1]=3 116 B9R1.13 O=C(O)CC1=CNN=C1 CS-0029585 [1,0,0,0,1,0|2,0,0]=4 117 B9R1.11 CCC(=O)C1=CSC=C1 CS-0241504 [0,0,0,0,2,0|2,0,0]=4 118 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CS-0152637 [0,0,0,0,0,2|1,0,0]=3