0 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,0,0,0,0,0|1,0,0]=2 2 B7R1.1 O=CC1=CN=CS1 HY-69015 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.1 O=CC1=CNC=C1 HY-59307 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.1 O=CC1=CNC=N1 HY-59303 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.1 O=CC1=NC=CN1 HY-W007321 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,0,0|1,0,2]=4 7 B7R1.4 CN1C=CN=C1S HY-B0208 [1,0,0,0,0,0|1,1,0]=3 8 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,0,0,0|0,0,3]=4 9 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.4 CN1SC=CC1=O HY-W010243 [1,0,0,0,0,0|1,0,0]=2 11 B7R1.4 CN1SC=CC1=O HY-W010520 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.41 CN1N=CC=C1C(=O)O HY-34505 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,0,1,0,0,0|1,0,0]=2 14 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,0,1,0,0,0|1,0,2]=4 15 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,0,0,0,0,1|1,0,0]=2 16 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,0,0,0,0,1|2,0,1]=4 17 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [0,0,0,0,0,1|3,0,0]=4 19 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.2 O=CC1=CC(Cl)=NC=C1 HY-W010309 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [0,0,0,0,0,1|2,0,0]=3 23 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [0,0,0,0,0,1|1,0,0]=2 24 B9R1.15 COC1=C(C)C=CC=C1 HY-W027751 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.15 NC1=C(C=O)C=CC=N1 HY-75813 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.15 O=CC1=CC=CC=C1I HY-W007846 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.15 O=CC1=CC=CN=C1Cl HY-32791 [0,0,0,0,0,1|2,0,0]=3 28 B9R1.15 O=CC1=NC=CC=C1F HY-W001028 [0,0,0,0,0,1|2,0,0]=3 29 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|0,0,2]=4 30 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,1,0,0,0|0,0,2]=4 31 B6R0.1 C=CCC(=O)OC HY-W105369 [1,0,1,0,0,0|1,0,1]=4 32 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|1,0,1]=4 33 B6R1.2 CN1C=CN=C1 HY-59137 [2,0,0,0,0,0|1,0,0]=3 34 B6R1.2 IC1=CN=CN1 HY-W002802 [2,0,0,0,0,0|2,0,0]=4 35 B6R1.2 NC1=NC=CN1 HY-W062216 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 O=C1C=CCC1 HY-W010643 [2,0,0,0,0,0|1,0,1]=4 37 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,1,1,0,0,0|2,0,0]=4 39 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,1,0,0,0,0|1,0,0]=3 40 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [1,1,0,0,0,0|1,0,0]=3 42 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [1,1,0,0,0,0|1,0,0]=3 43 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,1,0,0,0,0|1,0,0]=3 45 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,1,0,0,0,0|1,0,1]=4 47 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [1,1,0,0,0,0|1,0,1]=4 53 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [1,1,0,0,0,0|1,0,1]=4 54 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,1,0,0,0,0|0,0,2]=4 55 B8R1.7 O=[N+]([O-])C1=CN=CN1 HY-78644 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.18 CN1CC(=O)NC1=O HY-113382 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [0,1,0,0,0,1|1,0,0]=3 62 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HY-W002343 [0,1,0,0,0,1|1,0,0]=3 63 B10R1.8 O=CC1=CC(O)=CC(O)=C1 HY-W007416 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.30 O=CC1=CC(Br)=CC=C1F HY-I0561 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.30 O=CC1=CC(F)=CC=C1O HY-W007331 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.30 O=CC1=CC(O)=CC=C1Br HY-W007430 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [0,1,0,0,0,1|1,0,0]=3 71 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,1,0,0,0,1|1,0,0]=3 72 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,1,0,0,0,1|0,0,2]=4 73 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 HY-N0415 [0,1,0,0,0,1|0,0,1]=3 74 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527 [0,1,0,0,0,1|0,0,1]=3 75 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527R [0,1,0,0,0,1|0,0,1]=3 76 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-W009418 [0,1,0,0,0,1|0,0,1]=3 77 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 HY-101407 [0,1,0,0,0,1|1,0,1]=4 79 B10R1.113 NC1=CC(C(=O)O)=CC=C1 HY-I0746 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.113 NC1=CC=CC(C(=O)O)=N1 HY-W002540 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.113 NC1C=CC=C(C(=O)O)C1 HY-15377 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.113 O=C(O)C1=CC(F)=CC=C1 HY-W015753 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HY-W004049 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 HY-Y0403 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.113 O=C(O)C1=CC=CC(I)=C1 HY-Y0931 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 HY-B1061 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.172 COC1=CC(C=O)=CC=C1 HY-W007346 [0,1,0,0,0,1|1,0,0]=3 88 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 HY-W007518 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HY-N0295 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.4 C[N+]1=CC=CC=C1\C=N\O HY-B1200 [0,1,0,0,0,1|0,0,2]=4 91 B10R1.4 C[N+]1=CC=CC=C1\C=N\O HY-B1738A [0,1,0,0,0,1|0,0,2]=4 92 B10R1.20 COC1=CC=CC=C1C=O HY-77995 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.20 O=CC1=CC=CC=C1C=O HY-W012669 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.25 CC1=CC=C(C=O)C(O)=C1 HY-W007888 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.25 O=CC1=C(F)C=C(F)C=C1 HY-W007410 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.25 O=CC1=CC=C(Br)C=C1O HY-W001114 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.25 O=CC1=CC=C(O)C=C1O HY-W007539 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.61 CC(=O)C1=CC=CC=C1Br HY-W007689 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.61 CC(=O)C1=CC=CC=C1F HY-Y1133 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501R [0,1,0,0,0,1|2,0,0]=4 101 B10R1.61 CC(=O)C1=CC=CC=C1O HY-Y1426 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.61 CC1=CC=CC=C1C(=O)O HY-41494 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.61 NC(=O)C1=CC=CC=C1O HY-B0811 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.61 NC1=C(C(=O)O)C=CN=C1 HY-65257 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.61 NC1=CC=NC=C1C(=O)O HY-W002555 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 HY-W017249 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.61 O=C(O)C1=C(S)C=CC=C1 HY-Y0102 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.61 O=C(O)C1=CC=CC=C1F HY-Y1115 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.61 O=C(O)C1=CC=CC=C1I HY-77433 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167R [0,1,0,0,0,1|2,0,0]=4 112 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030A [0,1,0,0,0,1|2,0,0]=4 114 B10R1.245 O=CC1=C(Cl)C=NC=C1Cl HY-W016710 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.194 CC1=NC=C([N+](=O)[O-])N1C HY-B1244 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.5 ON1C=CC=CC1=S HY-B1747 [0,0,1,1,0,0|1,1,0]=4 118 B8R1.22 O=C1C=CC=CC=C1 HY-W035904 [0,0,1,1,0,0|1,0,1]=4