0 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 CCNC1=CC=CN=N1 79166 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 O10205 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y13039 [0,1,0,0,0,0|1,0,2]=4 6 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 C72382 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y13906 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 Y13728 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12191 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13726 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13727 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.222 COC(=O)C1=C(C)C=NN=C1 38774 [0,1,0,0,0,0|3,0,0]=4 22 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,0,0,1,0,0|1,0,1]=3 23 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,1,0,0|1,0,0]=2 26 B11R2.1 O=C1NCC2=C1C=NC=N2 F52634 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,0,0,1,0,0|0,0,2]=3 28 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,0,0,0,0,1|1,0,1]=3 31 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,0,0,0,0,1|1,0,1]=3 32 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.32 CCOC(=O)CC1=NN=CC=C1 P11834 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.32 CCOC(=O)NC1=NC=CC=C1 D96330 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31003 [0,1,0,0,0,1|1,0,1]=4 47 B12R1.12 CCC(CC)C1=CC=C(N)C=C1 79032 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 C91447 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 C91448 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 Y14599 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13950 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13951 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 C75626 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.367 CNC(=O)C1=NC(N)=C(Br)C=C1 W19538 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=N1 W11515 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 O11922 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.367 COC(=O)C1=CC=C(N)C(I)=N1 52591 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 C76222 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=N1 BL010140 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 79101 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.1703 COC(=O)C1=CN=C(F)C=C1N D96958 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.24 CCC(=O)C1=CC=CC(F)=C1I 79283 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.24 COC(=O)C1=C(Cl)C(N)=CC=N1 77093 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.24 COC(=O)C1=C(N)C(Br)=NC=C1 F30315 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 O11870 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.24 COC(=O)C1=CC=CC(I)=C1O AT10729 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.24 O=C(CCl)C1=C(F)C(F)=CC=C1 D96329 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12137 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12138 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12488 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12489 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12998 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.354 COC(=O)C1=C(F)C=NC(N)=C1 90088 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.358 O=C(CCl)C1=CC(O)=CC(O)=C1 D94022 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 N13245 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 D96377 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C13965 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.77 CCC1=C(C(=O)OC)C=CC=N1 D83965 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.77 COC(=O)C1=C(CBr)C=NC=C1 90032 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.77 COC(=O)C1=NC=CC=C1C=O CS1479 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.77 COC(=O)C1=NC=CC=C1CN P19801 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y12311 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y12892 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.3441 CC[C@H](N)C1=C(F)C=CC=C1F Y10299 [0,2,0,0,0,0|1,0,1]=4 92 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [1,0,0,1,0,0|1,0,1]=4 93 B10R2.32 O=C1CCN2C=NC=C12 65837 [0,0,0,1,1,0|2,0,0]=4 94 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,0,0,1,1,0|2,0,0]=4 95 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,1,0,1|1,0,0]=3 97 B12R2.48 O=CC1(C2=CC=CC=C2)CC1 70899 [0,1,0,1,0,0|0,0,1]=3 98 B12R2.116 NC1(C2=CC=CC=C2)COC1 32839 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.116 OC1(C2=CC=CC=C2)COC1 32904 [0,1,0,1,0,0|0,0,2]=4 100 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.22 NC1CC(C2=CC=CC=C2)C1 D96745 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 38953 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 D96746 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [0,1,0,1,0,0|1,0,0]=3 107 B12R2.1081 O=C1CCOC2=C1C=NC=C2 F53452 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [0,1,0,1,0,0|0,0,0]=2 110 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y13768 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.290 NC1(C2=CC=C(O)C=C2)CC1 SC4307 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AT19618 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,1,0,0|0,0,2]=4 119 B12R2.2302 BrC1=CC=C([C@@H]2CCO2)C=C1 AT23935 [0,1,0,1,0,0|0,0,2]=4 120 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,1,0,1,0,0|1,0,0]=3 121 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.132 O=C1COC2=C1C=C(F)C=C2 Y13790 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W16979 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.196 O=C1CCC2=C(Br)C=NC=C12 84234 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.196 O=C1NCC2=C1C=CN=C2Cl AC1916 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,1,0,0|0,0,2]=4 129 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 F53633 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,1,0,0|0,0,2]=4 131 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,0,0,0,0,2|2,0,0]=4