0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 BB_SC-00478 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BB_NC-00222 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB_SC-07359 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BB_NC-02249 [0,0,0,0,0,0|1,0,2]=3 9 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BB_SC-06780 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [1,0,0,0,0,0|1,0,2]=4 23 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB_NC-02171 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.3 COC1=CC=C(CNC(=N)N)C=C1 BB_SC-04471 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 BB_SC-07769 [0,1,0,0,0,0|2,1,0]=4 26 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 BB_NC-02807 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BB_NC-02453 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB_NC-02252 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB_NC-03136 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB_NC-02825 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BB_SC-06310 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BB_SC-08642 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 BB_SC-06285 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 BB_SC-06282 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O BB_NC-01998 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O BB_NC-01194 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O BB_NC-02483 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.511 CC(=O)OCC1=CC(=O)C(O)=CO1 BB_NC-03212 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 BB_NC-02271 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 BB_NC-02102 [0,1,0,0,0,0|1,0,2]=4 41 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 BB_SC-05151 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 BB_NC-02704 [0,0,0,1,0,0|1,0,2]=4 43 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 BB_SC-04608 [0,0,0,1,0,0|1,0,0]=2 44 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [0,0,0,0,1,0|1,0,0]=2 46 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [0,0,0,0,1,0|1,0,0]=2 47 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 BB_SC-06050 [0,0,0,0,1,0|2,1,0]=4 48 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [0,0,0,0,1,0|1,0,0]=2 51 B11R1.75 O=C(O)CCC1=CC(O)=NO1 BB_SC-03278 [0,0,0,0,1,0|3,0,0]=4 52 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 BB_SC-12440 [0,0,0,0,0,1|3,0,0]=4 53 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 BB_SC-08873 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.1 CCCCOC1=CC=C(N)C=C1 BB_SC-06677 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 BB_NC-02800 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O BB_NC-03303 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [1,1,0,0,0,0|0,0,1]=3 69 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BB_NC-00092 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB_SC-09488 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BB_SC-07353 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB_SC-08039 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB_SC-03069 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BB_SC-11395 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 BB_SC-07541 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BB_SC-01598 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BB_NC-02170 [0,1,0,0,1,0|0,0,0]=2 79 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BB_SC-06690 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 BB_SC-09536 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 BB_NC-02014 [0,1,0,0,1,0|1,0,0]=3 82 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 BB_NC-02558 [0,1,0,0,0,1|1,0,0]=3 83 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 BB_SC-09522 [0,1,0,0,0,1|1,0,0]=3 84 B14R1.13 COC(=O)CCNC1=CC=C(F)C=C1 BB_SC-09685 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 BB_SC-02412 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 BB_SC-05602 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BB_NC-02135 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB_NC-02368 [0,2,0,0,0,0|1,1,0]=4 89 B14R1.3 [C@H](N)(CC1=CC=C(OC)C=C1)C(=O)O BB_NC-02034 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.5 COC(=O)CNC1=CC=C(OC)C=C1 BB_SC-08643 [0,2,0,0,0,0|1,0,0]=3 91 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 BB_NC-00164 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.5 COC1=CC=C(CNC(=O)CN)C=C1 BB_SC-08046 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.727 COC(=O)COC1=CC=C(Cl)C=C1Cl BB_SC-11747 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.685 NC(CC(=O)O)C1=CC=C(F)C(Br)=C1 BB_SC-06278 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 BB_SC-02100 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.6048 NC(CC(=O)O)C1=C(F)C=C(F)C=C1 BB_SC-06283 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.6048 NC(CC(=O)O)C1=CC=C(Br)C=C1F BB_SC-06279 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.6048 NC(CC(=O)O)C1=CC=C(Cl)C=C1Cl BB_SC-06136 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.6048 NC(CC(=O)O)C1=CC=C(Cl)C=C1F BB_SC-06135 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O BB_NC-01739 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.686 [C@H](N)(CC1=CC(N)=C(O)C=C1)C(=O)O BB_NC-02024 [0,2,0,0,0,0|1,0,0]=3 102 B14R1.3152 CC1=CC(O)=CC(=O)N1CCC(=O)O BB_NC-02645 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 BB_NC-01538 [0,2,0,0,0,0|0,0,0]=2 104 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 BB_SC-04983 [0,0,0,1,1,0|2,0,0]=4 105 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BB_SC-05274 [0,0,0,1,1,0|2,0,0]=4 106 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 BB_SC-01605 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BB_SC-09910 [0,0,0,1,1,0|2,0,0]=4 108 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BB_SC-05336 [0,0,0,1,1,0|2,0,0]=4 109 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 BB_SC-05886 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,0,0,0,1,0|0,0,0]=2 111 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,0,0,0,1,0|1,0,0]=3 114 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.66 CC(=O)CCC1=CC=CO1 BB_SC-02398 [1,0,0,0,1,0|1,0,0]=3 116 B10R1.66 CC(=O)CCN1C=CC=N1 BB_SC-12625 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.66 O=C(O)CCC1=CC=CO1 BB_NC-00342 [1,0,0,0,1,0|2,0,0]=4 118 B10R1.66 O=C(O)CCN1C=CC=C1 BB_SC-12059 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [0,0,0,0,2,0|1,0,0]=3 120 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [0,0,0,0,2,0|1,0,0]=3 121 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [0,0,0,0,2,0|1,0,0]=3 122 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [0,0,0,0,2,0|1,0,0]=3 123 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [0,0,0,0,2,0|1,0,0]=3 124 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [0,0,0,0,2,0|0,0,0]=2 125 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [0,0,0,0,2,0|1,0,1]=4 126 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [0,0,0,0,2,0|2,0,0]=4 127 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [0,0,0,0,2,0|2,0,0]=4 128 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [0,0,0,0,2,0|1,1,0]=4 129 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [0,0,0,0,2,0|1,0,0]=3 132 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [1,0,0,0,0,1|1,0,0]=3