0 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SC-08918 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SC-13658 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SC-10462 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CNCC(N)C1=CC=CC=C1 SC-72180 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SC-00761 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.16 NC(CCO)C1=CC=CC=C1 SC-21156 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.16 NC(CCO)C1=CC=CC=C1 SC-21837 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SC-24748 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.16 OC(CCCl)C1=CC=CC=C1 SC-00015 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 OC(CCCl)C1=CC=CC=C1 SC-47390 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SC-00016 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.36 CC(C)C(N)C1=CC=CC=C1 SC-45929 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.36 C[C@@H](C(N)=O)C1=CC=CC=C1 SC-29036 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SC-73565 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 SC-11836 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SC-01673 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.40 N#CC(O)CC1=CC=CC=C1 SC-91036 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.40 NC(CO)CC1=CC=CC=C1 SC-22471 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 NCC(O)CC1=CC=CC=C1 SC-33921 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SC-05056 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 SC-03394 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.696 COC(=O)[C@H](O)C1=CC=CC=C1Cl SC-97666 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.32 CC1C2=C(C=CC=C2)CCC1N SC-88939 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O SC-88362 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.32 CC1CCC2=C(C=CC=C2)C1O SC-88948 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.15 C#CC(O)C1=CC=CC=C1 SC-52871 [2,0,0,0,0,0|0,0,2]=4 26 B10R1.15 CC(CN)C1=CC=CC=C1 SC-69942 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.15 CC(NN)C1=CC=CC=C1 SC-40338 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.15 CCC(N)C1=NC=CC=C1 SC-00692 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 SC-70269 [2,0,0,0,0,0|0,0,2]=4 30 B10R1.15 NCC(=O)C1=CC=CC=C1 SC-05250 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.15 NCC(=O)C1=CC=CC=C1 SC-05744 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.15 NCC(O)C1=CC=CC=C1 SC-98493 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.15 NCC(O)C1=NC=CC=C1 SC-49075 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.15 NCC(O)C1=NC=CC=C1 SC-A4287 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SC-21792 [2,0,0,0,0,0|0,0,0]=2 36 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SC-05393 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SC-02403 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.15 [C@@H](N)(CC)C1=CC=CC=C1 SC-03309 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 [C@@H](O)(CN)C1=CC=CC=C1 SC-21777 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.15 [C@H](N)(CC)C1=CC=CC=C1 SC-03999 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.17 CCCC[N+]1=CC=CC=C1 SC-07618 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CCCC[N+]1=CC=CC=C1 SC-62348 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CCNCC1=CC=CC=C1 SC-18916 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 CNCCC1=NC=CC=C1 SC-17881 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.17 CNCCC1=NC=CC=C1 SC-46500 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 ICCCC1=CC=CC=C1 SC-54412 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 NOCCC1=CC=CC=C1 SC-99889 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 O=CCCC1=CC=CC=C1 SC-79262 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 OCCCC1=CC=CC=C1 SC-26828 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 SC-51184 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.18 N=C(N)CC1=CC=CC=C1 SC-12266 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.18 N=C(N)CC1=CC=CC=C1 SC-17307 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 SC-A2688 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.17 CNCC(=O)C1=CC=CC(O)=C1 SC-87303 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 SC-81706 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.30 CNCCC(O)C1=CC=CC=C1 SC-25550 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 SC-99530 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 SC-78657 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 SC-90510 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.225 CC(C1=CC(O)=CC=C1)N(C)C SC-13426 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.225 CC(N)C(O)C1=CC(O)=CC=C1 SC-79877 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 SC-13572 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 SC-57845 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 SC-53245 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.478 CCCC(NC)C(=O)C1=CC=CC=C1 SC-66260 [0,2,0,0,0,0|0,0,2]=4 66 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SC-26472 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SC-36240 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SC-54752 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SC-A3783 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SC-21775 [1,0,0,1,0,0|1,0,0]=3 71 B12R2.2 C1=CN=C(C2CCNC2)C=C1 SC-29052 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.2 C1=CN=CC(C2CCNC2)=C1 SC-82385 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 BrC1CCCC2=C1C=CC=C2 SC-88957 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.1081 NC1CCCC2=C1C=CC=C2 SC-21114 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.1081 NC1COCC2=C1C=CC=C2 SC-27654 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.1081 OC1CNCC2=C1C=CC=C2 SC-89460 [1,0,0,1,0,0|0,0,0]=2 77 B12R2.1081 [C@@H]1(N)CCCC2=CC=CC=C21 SC-45076 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.18 [C@H]1(N)C2=CC=CC=C2C[C@H]1O SC-00677 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SC-01861 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.24 NC1CCC2=CC=CC=C2C1 SC-23685 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 SC-90927 [1,0,0,1,0,0|1,0,1]=4 82 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 SC-61235 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.32 NCC1CC2=C(C=CC=C2)C1 SC-82091 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.32 OCC1CC2=C(C=CC=C2)C1 SC-61230 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 SC-47562 [0,1,0,1,0,0|0,0,1]=3 86 B14R2.598 [C@@H]1(C2=CC=CC=C2)OC(=O)N[C@@H]1C SC-47563 [0,1,0,1,0,0|0,0,1]=3 87 B12R1.27 CC(COC1=CC=CC=C1)NN SC-95788 [1,0,0,0,0,1|1,0,0]=3