0 B6R0.6 C(CO)=CCCC HY-W015936 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.6 CC\C=C/CCO HY-W010607 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|0,0,3]=4 5 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|0,0,1]=2 6 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,0,0,0,0|0,0,0]=1 7 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,1,0,0,0,0|0,0,2]=3 8 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,0,0,0,0|0,0,2]=3 10 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,0,0,0,0|0,0,2]=3 11 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,0,0,0,0|0,0,0]=1 12 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,0,0,0,0|0,0,0]=1 13 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,1,0,0,0,0|0,0,0]=1 14 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,1,0,0,0,0|0,0,0]=1 15 B7R1.1 CCN1C=CC=N1 HY-Z1094 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.1 O=CC1=CC=CS1 HY-W012941 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.1 O=CC1=CN=CS1 HY-69015 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.1 O=CC1=CNC=N1 HY-59303 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.1 O=CC1=NC=CN1 HY-W007321 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.1 OCC1=CC=CS1 HY-34751 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.3 IC1=CC=CC=N1 HY-W004126 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 NC1=NC=CC=N1 HY-41340 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 NC1=NC=CN=C1 HY-34068 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.4 BrC1=CSC=C1Br HY-20022 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.4 CC1=CNN=C1C HY-W019334 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 CN1C=CN=C1S HY-B0208 [0,0,0,1,0,0|2,1,0]=4 34 B7R1.4 CN1SC=CC1=O HY-W010243 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.4 CN1SC=CC1=O HY-W010520 [0,0,0,1,0,0|2,0,0]=3 36 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|0,0,2]=4 39 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|0,0,1]=3 40 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|0,0,1]=3 41 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,2,0,0,0,0|0,0,0]=2 43 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,2,0,0,0,0|1,0,0]=3 44 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,2,0,0,0,0|0,0,2]=4 45 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,2,0,0,0,0|1,0,1]=4 47 B6R1.1 C1=CC=NN=C1 HY-W007494 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.1 C1=CN=CC=N1 HY-W013040 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.1 C1=CN=CN=C1 HY-Y0519 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,1,0,0|2,0,0]=4 51 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,1,0,0|0,1,0]=3 52 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,1,0,0|2,0,0]=4 53 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,1]=3 56 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.2 COC1=CC=NC=C1 HY-W007634 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.2 COC1=CN=CC=C1 HY-W008119 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.2 COC1=CN=CC=N1 HY-W010562 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.2 NCC1=CC=CC=C1 HY-76253 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.2 NCC1=NC=CC=N1 HY-60347A [0,1,0,1,0,0|2,0,0]=4 67 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [0,1,0,1,0,0|0,0,1]=3 68 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [0,1,0,1,0,0|0,0,1]=3 70 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [0,1,0,1,0,0|1,0,0]=3 72 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [0,1,0,1,0,0|1,0,0]=3 77 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,1,0,1,0,0|0,0,1]=3 78 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.5 ClC1=NC=CC=C1I HY-32753 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.5 FC1=CC=CC=C1I HY-34673 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.5 FC1=CN=CC=C1I HY-W012392 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.5 NC1=CC=CC=C1I HY-W007318 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.5 NC1=CC=CN=C1Br HY-66051 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.5 NC1=NC=CC=C1I HY-32813 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.5 O=C1C=COC=C1O HY-N1997 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [0,1,0,1,0,0|0,0,2]=4 94 B8R1.5 OC1=CC=CN=C1Br HY-20026 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.5 ON1C=CC=CC1=S HY-B1747 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.5 [O-][N+]1=CC=CC=C1[S-] HY-125785A [0,1,0,1,0,0|1,0,1]=4 98 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.22 O=C1C=CC=CC=C1 HY-W035904 [0,1,0,1,0,0|0,0,1]=3 100 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,1,0,0|0,0,0]=2 101 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,1,0,0|0,0,0]=2 102 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.3 ClC1=CC=C(Cl)C=C1 HY-Y0496 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.3 IC1=CC=C(I)C=C1 HY-W007412 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.3 NC1=CC=C(I)C=C1 HY-I0210 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.3 O=C1C=CC(=O)NN1 HY-59354 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.3 O=C1C=CC(Br)=CN1 HY-59165 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.3 O=C1C=CC(Cl)=CN1 HY-W008822 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,1,0,1,0,0|2,0,0]=4 152 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [0,1,0,1,0,0|0,0,2]=4 157 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,1,0,1,0,0|0,0,1]=3 159 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [0,1,0,1,0,0|0,1,0]=3 160 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [0,1,0,1,0,0|1,1,0]=4 162 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|0,0,2]=4 165 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [0,1,0,1,0,0|2,0,0]=4