0 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 D76515 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.15 CC1CCNC1C2=CC=CC=C2 E73234 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.633 CN[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23674 [0,0,0,1,0,0|1,0,0]=2 12 B13R2.633 CN[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23675 [0,0,0,1,0,0|1,0,0]=2 13 B13R2.8137 N[C@H](C1=CC=NC=C1)C2CCC2 E73240 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 E72746 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 Y14847 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 Y14848 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.17 OCC[C@H](O)C1=CC=CC(Br)=C1 AT23931 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.308 OCC[C@H](O)C1=C(Br)C=CC=C1 AT23930 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.20 CC(C)N(C)C1=CC=C(Br)C=C1 D76386 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15706 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15663 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15658 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15646 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15679 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 D85227 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 D85237 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 Y14833 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 D85224 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 Y14832 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15528 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15547 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15540 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15533 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15630 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 D85229 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 D85228 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 D85236 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15618 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15633 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15645 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.564 CC(C)(O)[C@H](N)C1=CC=NC=C1 86470 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.564 CC(C)(O)[C@H](N)C1=NC=CC=C1 86469 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.116 CC1(C2=CC=CC=C2)CNC1 AT12548 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.116 CC1(C2=NC=CC=C2)CNC1 AT23191 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.116 OC1(C2=CN=CC=C2)COC1 E72999 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.1081 O[C@H]1CNCC2=C1C=CC=N2 97788 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1F E72947 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [1,0,0,1,0,0|0,0,0]=2 62 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.23 O[C@@H]1CO[C@@H]1C2=CC=CC=C2 E73295 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.23 O[C@H]1CO[C@@H]1C2=CC=CC=C2 E73297 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 P15109 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.21 C[C@H]1CN(C2=CC=CC=C2)CCN1 AT25536 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.21 C[C@H]1CN(C2=CC=CC=C2)CCN1 AT25537 [0,0,0,1,0,1|2,0,0]=4 68 B14R2.114 O[C@H](C1=CC=CC=C1)[C@@H]2CCCN2 D74798 [0,1,0,1,0,0|0,0,0]=2 69 B14R2.114 O[C@H](C1=CC=CC=C1)[C@@H]2CCCN2 D77053 [0,1,0,1,0,0|0,0,0]=2 70 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 D76767 [0,1,0,1,0,0|1,0,1]=4 71 B14R3.457 N[C@@H]1C2=C(C=CC=C2)C3CC1C3 F50506 [0,0,0,2,0,0|2,0,0]=4 72 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16725 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,0,0,0,0,1|2,0,0]=4 74 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,0,0,0,0,1|2,0,0]=4