0 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 HY-W077680 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 HY-Y0168 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 HY-W017398 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 S=C=NCC1=CC=CC=C1 HY-77813 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.18 CC(C)NC1=NC=CC=N1 HY-W129456 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 NC(=S)NC1=CC=CC=C1 HY-Y0351 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HY-A0091 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HY-A0091A [0,1,0,0,0,0|2,0,1]=4 22 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 HY-W019714 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 HY-W014824 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 HY-B2020 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [0,1,0,0,0,0|3,0,0]=4 27 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [0,1,0,0,0,0|3,0,0]=4 29 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [0,1,0,0,0,0|3,0,0]=4 32 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084R [0,1,0,0,0,0|2,0,1]=4 36 B12R1.194 CC[N+](C)(C)CC1=CC=CC=C1 HY-B2232 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.32 CNC1CC2=C(C=CC=C2)C1 HY-113833 [0,0,0,1,0,0|0,0,0]=1 38 B10R1.15 CC(CN)C1=CC=CC=C1 HY-W005394 [0,0,0,0,1,0|2,0,0]=3 39 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [0,0,0,0,1,0|1,0,1]=3 41 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [0,0,0,0,1,0|1,0,1]=3 42 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,0,0,0,1,0|2,0,1]=4 43 B10R1.15 NCC(O)C1=CC=CC=C1 HY-59132 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 HY-W002038 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [0,0,0,0,1,0|2,0,1]=4 46 B10R1.15 OCC(O)C1=CC=CC=C1 HY-W015788 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,0,0,0,0,1|2,0,1]=4 48 B9R0.45 CCCC\C=C\C=C\C=O HY-W127521 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [2,0,0,0,0,0|0,0,0]=2 52 B9R1.8 NOCC1=CC=CC=C1 HY-41915 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.8 ONCC1=CC=CC=C1 HY-W002216 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 [2H]OCC1=CC=CC=C1 HY-B0892S4 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.1 CNCCC1=CC=C(O)C=C1 HY-W153897 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.1 COCCC1=CC=C(O)C=C1 HY-42084 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.1 OCCCC1=CC=C(O)C=C1 HY-N1753 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.16 CCCC(=O)C1=CC=CC=C1 HY-W010265 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.28 BrCCCOC1=CC=CC=C1 HY-W019627 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.28 NCCOCC1=CC=CC=C1 HY-W017834 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.28 S=C=NCCC1=CC=CC=C1 HY-23155 [1,1,0,0,0,0|0,0,2]=4 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-41685 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-W018454 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-W112005 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-Y1818 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.12 COC(OC)C1=CC=CC=C1 HY-Z0041 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.22 CCC(C)C1=CC=C(O)C=C1 HY-23497 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 HY-119532 [0,2,0,0,0,0|0,0,0]=2 79 B13R1.418 [C@@H](CC1=CC=CC=C1)(NC)C(=O)O HY-W005388 [0,2,0,0,0,0|0,0,1]=3 80 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O HY-W141831 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O HY-W016552 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.91 CNC(C)CC1=CC=CC=C1OC HY-B1694A [0,2,0,0,0,0|0,0,0]=2 83 B11R2.1 CN1C=CC2=C1C=CC=C2 HY-Y1162 [1,0,0,1,0,0|0,0,2]=4 84 B11R2.1 O=C1CCC2=C1C=CC=C2 HY-W004333 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-17447A [1,0,0,1,0,0|2,0,0]=4 86 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.10 CC1=CC2=CC=CC=C2N1 HY-W007556 [1,0,0,1,0,0|0,0,2]=4 88 B11R2.10 O=C1CC2=C(C=CC=C2)N1 HY-Y0061 [1,0,0,1,0,0|1,0,1]=4 89 B13R2.10 CC1COC(C2=CC=CC=C2)O1 HY-W010119 [0,0,0,1,0,1|2,0,0]=4 90 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O HY-W004316 [0,0,0,1,0,1|2,0,0]=4 91 B13R2.2383 C1=CC(OC[C@@H]2CCN2)=CN=C1 HY-110131 [0,0,0,1,0,1|1,0,0]=3 92 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 HY-A0066 [0,1,0,1,0,0|0,0,1]=3 93 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 HY-A0066A [0,1,0,1,0,0|0,0,1]=3 94 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [1,0,0,0,1,0|1,0,1]=4 95 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [1,0,0,0,1,0|0,0,0]=2 96 B9R1.6 CN(C)C1=CC=NC=C1 HY-Y1089 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [1,0,0,0,1,0|0,0,0]=2 98 B9R1.6 N=C(N)C1=CC=CC=C1 HY-125913 [1,0,0,0,1,0|1,0,1]=4 99 B9R1.6 N=C(N)C1=CC=CC=C1 HY-W018781 [1,0,0,0,1,0|1,0,1]=4 100 B9R1.6 N=C(N)C1=CC=CC=C1 HY-W087937 [1,0,0,0,1,0|1,0,1]=4 101 B9R1.6 NC(=O)C1=CC=CC=C1 HY-Z0283 [1,0,0,0,1,0|1,0,1]=4 102 B9R1.6 [15NH2]C(=O)C1=CC=CC=C1 HY-Z0283S [1,0,0,0,1,0|1,0,1]=4