0 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,0,0,0,0,0|1,1,0]=2 1 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 N=C(N)N1C=CC=N1 HY-W017032 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [0,0,0,0,0,0|2,1,0]=3 7 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 O=[N+]([O-])C1=NNC=C1 HY-W002457 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 N#CC1=NC=CS1 HY-W003625 [1,0,0,0,0,0|1,0,1]=3 16 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.1 O=CC1=CN=CS1 HY-69015 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.1 O=CC1=CNC=C1 HY-59307 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 O=CC1=CNC=N1 HY-59303 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 O=CC1=NC=CN1 HY-W007321 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [0,1,0,0,0,0|1,1,0]=3 24 B9R1.11 N\C(=N/O)C1=CC=CS1 HY-117052 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 O=C(O)C1=CN=C(Br)S1 HY-33287 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.41 NC(=O)C1=C(N)NC=N1 HY-41461 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.41 NC(=O)C1=C(N)NC=N1 HY-41461A [0,1,0,0,0,0|3,0,0]=4 32 B9R1.41 NC(=O)C1=C(O)NC=N1 HY-106048 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,0,1,0,0,0|3,0,0]=4 35 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,0,1,0,0,0|3,0,0]=4 36 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,0,1,0,0,0|3,0,0]=4 37 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.6 CC(=O)C1=CC=NC=C1 HY-Y0179 [0,0,0,0,0,1|2,0,0]=3 39 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [0,0,0,0,0,1|1,0,0]=2 40 B9R1.6 NC(=O)C1=CC=CC=C1 HY-Z0283 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150R [0,0,0,0,0,1|2,0,0]=3 43 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843R [0,0,0,0,0,1|3,0,0]=4 45 B9R1.6 NC(=O)C1=NC=CC=C1 HY-101020 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.6 NC(=S)C1=NC=CC=C1 HY-W002356 [0,0,0,0,0,1|2,1,0]=4 48 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216R [0,0,0,0,0,1|3,0,0]=4 50 B9R1.6 O=C(O)C1=CC=CC=C1 HY-W015761 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660R [0,0,0,0,0,1|2,0,0]=3 53 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143R [0,0,0,0,0,1|2,0,0]=3 55 B9R1.6 O=C(O)C1=CC=NC=C1 HY-I0736 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.6 O=C(O)C1=CC=NN=C1 HY-W002066 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.6 O=C(O)C1=NC=CC=N1 HY-60346 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [0,0,0,0,0,1|2,0,0]=3 60 B9R1.6 O=C(O)C1=NC=NC=C1 HY-W002404 [0,0,0,0,0,1|2,0,0]=3 61 B9R1.6 [15NH2]C(=O)C1=CC=CC=C1 HY-Z0283S [0,0,0,0,0,1|3,0,0]=4 62 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [0,0,0,0,0,1|2,0,0]=3 63 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,0,1,0,0,0|1,0,1]=4 64 B6R1.2 BrC1=NC=CS1 HY-W001223 [2,0,0,0,0,0|1,0,0]=3 65 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|1,0,0]=3 66 B6R1.2 CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 NC1=NC=CN1 HY-W062216 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 NC1=NC=CS1 HY-12396 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,1,1,0,0,0|2,0,0]=4 70 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,1,0,0,0,0|1,1,0]=4 71 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HY-20436 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,1,0,0,0,1|1,0,0]=3 77 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HY-Y0779 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HY-W008818 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073R [0,1,0,0,0,1|2,0,0]=4 82 B10R1.13 CC1=CN=C(C(=O)O)C=N1 HY-32739 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.13 NC(=O)C1=CC=C(N)N=C1 HY-W010342 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.13 NC1=NC=C(C(=O)O)C=C1 HY-W015793 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 HY-W002864 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 O=C(O)C1=NC=C(I)C=C1 HY-W041657 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 O=C(O)C1=NC=C(O)N=C1 HY-76210 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.15 COC(=O)C1=NC=CC=N1 HY-78337 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.15 NNC(=O)C1=CC=CN=C1 HY-W012617 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.15 NNC(=O)C1=NC=CC=C1 HY-W010341 [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 NC(=O)C1=NC=CN=C1O HY-W015764 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.61 NC1=CC=NC=C1C(=O)O HY-W002555 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.61 NC1=NC=CN=C1C(=O)O HY-Y1702 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 HY-W017249 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.61 O=C(O)C1=NC=CC=C1O HY-Y0030A [0,1,0,0,0,1|2,0,0]=4 108 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.113 NC1=CC=CC(C(=O)O)=N1 HY-W002540 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 HY-Y1013 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 HY-W004860 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.23 [C@H](N)(C(=O)O)C1=CC=CS1 HY-W017256 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.11 CCOC(=O)C1=COC=N1 HY-69111 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.11 CCOC(=O)C1=NC=CN1 HY-20460 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.149 COC(=O)C1=C(N)C=CS1 HY-20095 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,0,1,1,0,0|2,0,0]=4 121 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [0,0,1,1,0,0|2,0,0]=4 122 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [0,0,1,1,0,0|2,0,0]=4 123 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [1,0,0,0,0,1|1,0,1]=4 124 B8R1.2 COC1=CN=CC=C1 HY-W008119 [1,0,0,0,0,1|2,0,0]=4 125 B8R1.2 COC1=CN=CC=N1 HY-W010562 [1,0,0,0,0,1|2,0,0]=4 126 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [1,0,0,0,0,1|2,0,0]=4 127 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [0,0,0,0,0,2|1,0,0]=3 128 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [0,0,0,0,0,2|2,0,0]=4 129 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [0,0,0,0,0,2|2,0,0]=4 130 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [0,0,0,0,0,2|2,0,0]=4 131 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [0,0,0,0,0,2|2,0,0]=4 132 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [0,0,0,0,0,2|2,0,0]=4 133 B10R1.18 O=C(O)CC1=NC=CC=N1 HY-34190 [0,0,0,0,0,2|2,0,0]=4 134 B10R1.66 CC(=O)OCC1=CC=CO1 HY-W010321 [0,0,0,0,0,2|1,1,0]=4