0 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 N#C\C=C\C1=CC=CC=C1 BB_SC-12715 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 NCCNC1=NC=CC=N1 BB_SC-07304 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 NCCNC1=NC=CC=N1 BB_SC-10972 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [0,0,0,0,0,0|1,1,0]=2 11 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [0,0,0,0,0,0|0,0,0]=0 14 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,0,0,0,0|0,0,0]=1 27 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,0,0,0,0,0|1,1,1]=4 29 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.1 NC1=CC=C(OCCO)C=C1 BB_SC-08224 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.1 NCCOC1=CC=C(Br)C=C1 BB_SC-11794 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.1 NCCOC1=CC=C(Cl)C=C1 BB_SC-11793 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.16 N#CCC(=O)C1=CC=CC=C1 BB_SC-05743 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.17 C=CCOC1=C(Br)N=CC=C1 BB_SC-12565 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.17 NC1=C(OCCO)C=CC=C1 BB_SC-09062 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.24 NC1=CC(OCCO)=CC=C1 BB_SC-09611 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [0,1,0,0,0,0|1,1,1]=4 47 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB_SC-09060 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [0,1,0,0,0,0|1,1,1]=4 49 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.91 CC(O)C#CC1=CC=CC=C1 BB_SC-02013 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [0,1,0,0,0,0|0,0,1]=2 57 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [0,1,0,0,0,0|1,0,2]=4 59 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.12 ClCCCN1C=CC=C1 BB_SC-10706 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|0,0,0]=2 70 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.4 O\N=C\C1=CC=CC=C1O BB_SC-05445 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [1,1,0,0,0,0|0,0,2]=4 85 B12R1.1 CCCCOC1=CC=C(N)C=C1 BB_SC-06677 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.1 NCCOCC1=CC=C(Br)C=C1 BB_SC-12608 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB_SC-07359 [0,2,0,0,0,0|0,0,2]=4 88 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [0,2,0,0,0,0|0,0,1]=3 90 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.71 C=CCOC1=CC=C(C=O)C=C1 BB_NC-00320 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BB_SC-07120 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.71 COC1=CC=C(OCCBr)C=C1 BB_SC-08040 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.71 COC1=CC=C(OCCN)C=C1 BB_SC-11754 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 BB_SC-07354 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BB_SC-07010 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB_SC-07343 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 BB_SC-05337 [0,2,0,0,0,0|1,1,0]=4 100 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.121 COC1=C(OCCN)C=CC=C1 BB_SC-02768 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.121 N#CC1=CC=CN=C1OCCN BB_SC-12538 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB_SC-09488 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BB_SC-07353 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB_SC-08039 [0,2,0,0,0,0|0,0,1]=3 106 B12R1.267 OCCNCC1=CC=CN=C1Cl BB_SC-12105 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.28 FC1=CC=CC(CSCCCl)=C1 BB_SC-03144 [0,2,0,0,0,0|1,1,0]=4 108 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB_SC-03069 [0,2,0,0,0,0|0,0,1]=3 109 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 BB_SC-07541 [0,2,0,0,0,0|0,0,1]=3 110 B12R1.382 N#CC1=CC(OCCN)=NC=C1 BB_SC-12609 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.382 O=CC1=CC=CC(OCCBr)=C1 BB_SC-04905 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.8 CCCCNCC1=CC=CC=C1 BB_SC-07064 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BB_SC-09055 [0,2,0,0,0,0|0,0,1]=3 115 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BB_SC-08136 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [0,2,0,0,0,0|0,1,1]=4 117 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,2,0,0,0,0|0,0,2]=4 118 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BB_SC-08760 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 BB_SC-03189 [0,2,0,0,0,0|1,0,1]=4 120 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,1,0,0|0,0,0]=2 121 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.24 NC1=CC=C2OCCOC2=C1 BB_SC-05353 [0,1,0,1,0,0|0,0,0]=2 123 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BB_NC-00768 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 BB_SC-05409 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB_SC-06077 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BB_NC-00158 [0,1,0,1,0,0|0,0,1]=3 129 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BB_SC-05481 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.32 NCC1CC2=CC=CC=C2O1 BB_SC-03440 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 BB_SC-02634 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.32 OCC1CC2=CC=CC=C2O1 BB_SC-02420 [0,1,0,1,0,0|0,0,0]=2 133 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB_NC-02097 [0,1,0,1,0,0|0,0,2]=4 134 B12R2.1 OCN1C=NC2=C1C=CC=C2 BB_SC-05417 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 BB_SC-05555 [0,1,0,1,0,0|0,0,0]=2 136 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BB_SC-05461 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [1,0,0,0,1,0|2,0,0]=4