0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 2618-1-X5 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 2623-1-07 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 2621-1-2X [0,0,0,0,0,0|2,0,0]=2 3 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 3732-1-X7 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 4657-1-29 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 CC(N=C=S)C1=CC=CC=C1 7768-1-26 [1,0,0,0,0,0|1,1,1]=4 6 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 7768-1-25 [1,0,0,0,0,0|1,1,1]=4 7 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 4649-1-05 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 7768-1-27 [1,0,0,0,0,0|1,1,1]=4 9 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.91 NC(=O)COC1=CC=CC=C1 4648-1-17 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 NC(=O)OCC1=CC=CC=C1 4756-1-47 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 4648-1-1V [1,0,0,0,0,0|2,0,1]=4 15 B11R1.91 NC(=S)NCC1=CC=CC=C1 7767-1-06 [1,0,0,0,0,0|2,1,0]=4 16 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 2616-5-13 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 2716-5-X4 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 O=C(O)CCC1=CC=CN=C1 4H21-1-XY [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 O=C(O)CCC1=CC=NC=C1 P612-A-35 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 O=C(O)COC1=CC=CC=C1 2621-1-02 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 4757-1-1G [0,1,0,0,0,0|3,0,0]=4 23 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 4657-9-06 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 4657-5-09 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 4657-1-51 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 4657-9-11 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 4657-3-X1 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 4657-1-30 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.201 NC(CC(=O)O)C1=C(Br)C=CC=C1 4657-9-16 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl 4657-5-36 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 6663-1-X6 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 4657-1-1V [0,1,0,0,0,0|2,0,0]=3 33 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 4757-5-X1 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 4H48-1-FA [0,0,0,1,0,0|2,0,0]=3 35 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 4H56-1-S6 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 G311-A-06 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 2626-1-07 [0,0,0,1,0,0|1,0,1]=3 38 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 2921-1-X3 [0,0,0,0,1,0|1,0,2]=4 39 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 2721-1-Y6 [0,0,0,0,1,0|1,0,0]=2 40 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 2621-1-R5 [0,0,0,0,1,0|1,0,0]=2 41 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 2621-1-S5 [0,0,0,0,1,0|1,0,0]=2 42 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 4648-1-13 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 4648-1-S0 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 4648-1-R0 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 4657-1-S2 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 2716-5-Y0 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.36 [C@H](O)(C(=O)O)C1=CC=CC=C1 2629-1-Z6 [0,0,0,0,1,0|2,0,0]=3 48 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 4657-1-RU [0,0,0,0,0,1|2,0,0]=3 49 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 4657-1-SU [0,0,0,0,0,1|2,0,0]=3 50 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 4753-1-04 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.15 CC(CN)C1=CC=CC=C1 3730-1-Z4 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.15 CN(C=O)C1=CC=CC=C1 4648-1-01 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.15 COC(=N)C1=CC=CC=C1 4636-5-01 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.15 C[C@H](NO)C1=CC=CC=C1 4647-1-S0 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.15 C\C=C(/F)C1=CC=CC=C1 1900-3-27 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.15 [C@H](C)(CN)C1=CC=CC=C1 3730-1-Y2 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.17 O=CC#CC1=CC=CC=C1 2915-1-09 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 2620-1-X5 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 6666-1-X7 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 6666-5-01 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 6666-3-X3 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 2721-1-42 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 4653-3-X0 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 4757-1-06 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 2721-9-07 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 2721-5-06 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 2721-3-14 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 2721-H-X2 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 2729-1-X5 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.27 CNC(=S)NCC1=CC=CC=C1 7767-1-03 [1,1,0,0,0,0|1,1,0]=4 72 B12R1.27 COC(=O)C#CC1=CC=CC=C1 2923-1-27 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.27 COC(=O)COC1=CC=CC=C1 2623-1-37 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 2923-1-29 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4657-5-0Q [1,1,0,0,0,0|0,0,0]=2 77 B12R1.27 NNC(=O)OCC1=CC=CC=C1 4648-1-Y5 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 4748-5-X3 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.27 O=C(NO)OCC1=CC=CC=C1 4656-1-9J [1,1,0,0,0,0|1,0,0]=3 80 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 2921-1-Y6 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 4757-1-R0 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl 2917-5-22 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.125 CC1=CC=CC=C1CCC(=O)O 2721-1-41 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 2721-9-05 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 2721-5-05 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.125 O=C(O)CCC1=CC=CC=C1F 2721-3-12 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.125 O=C(O)CCC1=CC=CC=C1O 2729-1-16 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.226 CC(=O)\C=C/C1=CC=CC(Cl)=C1 2917-5-X1 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 2721-1-03 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 4657-1-Z7 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 2721-3-13 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 2721-9-06 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 2721-5-Y0 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 2721-H-05 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 2729-1-17 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 4648-1-Z1 [0,1,0,0,1,0|1,0,0]=3 97 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 4657-1-1J [0,1,0,0,1,0|1,0,0]=3 98 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 2729-1-28 [0,1,0,0,1,0|1,0,0]=3 99 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 4757-1-55 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 4657-3-74 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 4657-1-X5 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 2629-9-X6 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 2629-5-X7 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 2629-3-01 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 4657-5-X5 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F 4657-3-02 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl 2721-D-X0 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl 2629-5-R0 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 4657-9-X0 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 4648-3-22 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 2721-3-16 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 3730-1-X7 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 2621-1-Z1 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 2621-1-S3 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 2729-1-X0 [0,1,0,0,1,0|1,0,0]=3 116 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 4658-1-5A [0,2,0,0,0,0|2,0,0]=4 117 B14R1.1019 NCC(CC(=O)O)C1=CC=C(F)C=C1 4657-7-43 [0,2,0,0,0,0|2,0,0]=4 118 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 2623-1-66 [0,2,0,0,0,0|0,0,1]=3 119 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [1,0,0,1,0,0|1,0,1]=4 120 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 2717-1-Z2 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2H26-1-01 [1,0,0,1,0,0|1,0,1]=4 122 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 2617-1-2B [1,0,0,1,0,0|1,0,0]=3 123 B12R2.24 O=C1CCC2=CC=CC=C2N1 4H48-1-T2 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.18 CC1=CC2=CC=CC=C2N1C 3H32-1-5G [0,0,0,1,1,0|2,0,0]=4 125 B12R2.18 CN1C(=O)CC2=CC=CC=C21 4H48-1-D7 [0,0,0,1,1,0|1,0,0]=3 126 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 4H48-1-J9 [0,0,0,1,1,0|2,0,0]=4 127 B12R2.18 CN1C(=O)OC2=CC=CC=C21 4H58-1-91 [0,0,0,1,1,0|2,0,0]=4 128 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 2717-1-Z3 [0,0,0,1,0,1|1,0,0]=3 129 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 4H17-1-14 [0,0,0,1,0,1|2,0,0]=4 130 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 4H17-1-Y7 [0,0,0,1,0,1|2,0,0]=4 131 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 4H17-1-Y8 [0,0,0,1,0,1|2,0,0]=4 132 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 4H56-1-UW [0,0,0,1,0,1|2,0,0]=4 133 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 4H56-1-572 [0,0,0,1,0,1|2,0,0]=4 134 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 4H17-1-84 [0,0,0,1,0,1|2,0,0]=4 135 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 2721-1-02 [0,0,0,1,0,1|2,0,0]=4 136 B14R2.450 CC(=O)C1=C(C)C2=CC=CC=C2S1 6H17-1-X1 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.18 CC(=O)CC1=CC=NC=C1 4H17-1-61 [1,0,0,0,1,0|1,0,0]=3 138 B10R1.18 CC(=O)OC1=CC=CC=C1 2623-1-Y3 [1,0,0,0,1,0|0,0,0]=2 139 B10R1.18 CC(C)CC1=CC=CC=C1 1700-1-X0 [1,0,0,0,1,0|1,0,1]=4 140 B10R1.18 CC(C)OC1=CC=CC=C1 2607-1-10 [1,0,0,0,1,0|1,0,1]=4 141 B10R1.18 CN(C)CC1=CC=CC=C1 3632-1-07 [1,0,0,0,1,0|2,0,0]=4 142 B10R1.18 NC(=O)CC1=CC=CC=C1 4748-1-X7 [1,0,0,0,1,0|1,0,0]=3 143 B10R1.18 NC(=S)CC1=CC=CC=C1 7667-1-41 [1,0,0,0,1,0|1,1,0]=4 144 B10R1.18 O=C(Cl)CC1=CC=CC=C1 2716-5-04 [1,0,0,0,1,0|1,0,0]=3 145 B10R1.18 O=C(Cl)OC1=CC=CC=C1 2616-5-05 [1,0,0,0,1,0|1,0,0]=3 146 B10R1.18 O=C(O)CC1=CC=CC=N1 4H58-5-0B [1,0,0,0,1,0|2,0,0]=4 147 B10R1.18 O=C(O)CC1=CC=CN=C1 4H21-1-J9 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.18 O=C(O)CC1=CC=CN=C1 4H21-5-Z8 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.18 O=C(O)CC1=CC=NC=C1 4H58-5-4Y [1,0,0,0,1,0|2,0,0]=4 150 B10R1.18 O=S([O-])CC1=CC=CC=C1 6665-1-00 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 4654-1-9H [1,0,0,0,1,0|2,0,0]=4 152 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [1,0,0,0,0,1|0,0,2]=4 153 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [1,0,0,0,0,1|2,0,0]=4 154 B12R1.252 O=C(O)CCOC1=CC=CC=C1 2621-1-Z8 [1,0,0,0,0,1|2,0,0]=4 155 B12R1.252 O=C(O)COCC1=CC=CC=C1 2721-1-97 [1,0,0,0,0,1|1,0,0]=3