0 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,0,0,0|2,1,0]=3 13 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,0,0,0|1,1,1]=4 14 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,0,0|0,1,1]=3 15 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 NC1=NOC=C1 HY-W007329 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,0,0,0|1,0,0]=2 20 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,0,0,0|0,0,2]=3 22 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,0,0,0|0,1,2]=4 23 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,0,0,0|0,0,0]=1 29 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,0,0,0|3,0,0]=4 34 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.18 NN1CC(=O)NC1=O HY-23506 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.18 NN1CC(=O)NC1=O HY-Y0469 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.18 NN1CC(=O)NC1=O HY-Y0469R [0,1,0,0,0,0|3,0,0]=4 39 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,0,0,0|0,0,0]=1 41 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.50 CC1=NOC(N)=C1Cl HY-70065 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.50 O=C1SSC(Cl)=C1Cl HY-W016149 [0,1,0,0,0,0|2,1,0]=4 48 B8R1.51 N[Pt+2]1(N)[O-]CC(=O)[O-]1 HY-13700 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 C=CCC(=O)OC HY-W105369 [0,0,1,0,0,0|2,0,1]=4 50 B6R0.1 CCOC(=O)CN HY-76204 [0,0,1,0,0,0|2,0,1]=4 51 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,1,0,0,0|0,0,1]=2 52 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,1,0,0,0|1,0,2]=4 53 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,1,0,0,0|1,0,2]=4 54 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,1,0,0,0|1,0,2]=4 55 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,1,0,0,0|3,0,0]=4 56 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,0,1,0,0,0|2,0,1]=4 58 B6R0.4 CCCCC(N)=O HY-W144037 [0,0,1,0,0,0|2,0,1]=4 59 B6R0.4 CCNCC(=O)O HY-W141879 [0,0,1,0,0,0|2,0,1]=4 60 B6R0.4 CCOCC(=O)O HY-W027555 [0,0,1,0,0,0|1,0,1]=3 61 B6R0.4 CSCCC(=O)O HY-101401 [0,0,1,0,0,0|3,0,0]=4 62 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,0,1,0,0,0|2,0,0]=3 63 B6R0.4 O=CNCC(=O)O HY-128735 [0,0,1,0,0,0|3,0,0]=4 64 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,0,0,0,0,1|2,0,1]=4 65 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [0,0,0,0,0,1|2,0,1]=4 66 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [0,0,0,0,0,1|2,0,1]=4 68 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,0,0,1|1,0,1]=3 69 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.3 O=C1C=CC(=O)NN1 HY-59354 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.3 O=C1C=CC(Br)=CN1 HY-59165 [0,0,0,0,0,1|2,0,1]=4 72 B8R1.3 O=C1C=CC(Cl)=CN1 HY-W008822 [0,0,0,0,0,1|2,0,1]=4 73 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,0,0,1|2,0,1]=4 74 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,0,0,0,0,1|2,0,1]=4 75 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,0,0,0,0,1|2,0,0]=3 76 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,0,0,0,0,1|2,0,1]=4 77 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,0,0,0,0,1|2,0,1]=4 78 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,0,0,0,0,1|2,0,1]=4 79 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,0,0,1|2,0,1]=4 80 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,0,0,0,0,1|2,0,0]=3 83 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,1,0,0,0|0,0,2]=4 84 B5R0.1 CC(=O)CCO HY-W051287 [1,0,1,0,0,0|0,0,2]=4 85 B5R0.1 CC(=O)NCO HY-W024564 [1,0,1,0,0,0|1,0,1]=4 86 B5R0.1 CC(C)=CC=O HY-34409 [1,0,1,0,0,0|0,0,0]=2 87 B5R0.1 CC(C)=CCO HY-W013035 [1,0,1,0,0,0|0,0,2]=4 88 B5R0.1 CCCC(N)=O HY-W088319 [1,0,1,0,0,0|1,0,1]=4 89 B5R0.1 CCOC(N)=O HY-B1207 [1,0,1,0,0,0|1,0,1]=4 90 B5R0.1 CCOC(N)=O HY-B1207R [1,0,1,0,0,0|1,0,1]=4 91 B5R0.1 CN(C)CC=O HY-100061A [1,0,1,0,0,0|1,0,1]=4 92 B5R0.1 CNCC(=O)O HY-101037 [1,0,1,0,0,0|1,0,1]=4 93 B5R0.1 CNCC(=O)O HY-101037R [1,0,1,0,0,0|1,0,1]=4 94 B5R0.1 COCC(=O)O HY-Y1009 [1,0,1,0,0,0|1,0,0]=3 95 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,1,0,0,0|0,0,0]=2 96 B5R0.1 NOCC(=O)O HY-107994 [1,0,1,0,0,0|2,0,0]=4 97 B5R0.2 CC\C=C/CO HY-W030347 [1,0,1,0,0,0|0,0,1]=3 98 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,1,0,0,0|1,0,0]=3 99 B5R0.2 OC\C=C/CO HY-W027631 [1,0,1,0,0,0|1,0,1]=4 100 B5R0.3 CCC(=O)CO HY-W005327 [1,0,1,0,0,0|0,0,1]=3 101 B5R0.3 CCC(C)C=O HY-W020678 [1,0,1,0,0,0|1,0,1]=4 102 B5R0.3 COC(=O)CN HY-Y1789 [1,0,1,0,0,0|2,0,0]=4 103 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,1,0,0,0|1,0,1]=4 104 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,1,0,0,0|2,0,0]=4 105 B5R1.1 C1=CNN=C1 HY-76228 [2,0,0,0,0,0|2,0,0]=4 106 B5R1.1 C1=COC=N1 HY-34631 [2,0,0,0,0,0|1,0,1]=4 107 B5R1.1 C1=CON=C1 HY-W010649 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,1,0,0,0|1,0,1]=4 109 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,1,0,0,0|1,0,1]=4 110 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,1,0,0,0|2,0,0]=4 111 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,1,0,0,0|1,0,1]=4 112 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,1,0,0,0|1,0,1]=4 113 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,1,0,0,0|1,0,1]=4 114 B7R0.4 O=C(O)COCCS HY-140730 [0,1,1,0,0,0|1,0,1]=4 115 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,1,1,0,0,0|2,0,0]=4 116 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,1,1,0,0,0|2,0,0]=4 117 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,1,0,0,0,0|2,0,0]=4 118 B7R1.1 O=CC1=CNC=C1 HY-59307 [1,1,0,0,0,0|1,0,1]=4 119 B7R1.1 OCC1=CC=CS1 HY-34751 [1,1,0,0,0,0|0,1,1]=4 120 B7R1.1 OCC1=COC=C1 HY-W007708 [1,1,0,0,0,0|0,0,2]=4 121 B7R1.4 CC1=CNN=C1C HY-W019334 [1,1,0,0,0,0|2,0,0]=4 122 B7R1.4 CN1SC=CC1=O HY-W010243 [1,1,0,0,0,0|1,1,0]=4 123 B7R1.4 CN1SC=CC1=O HY-W010520 [1,1,0,0,0,0|1,1,0]=4 124 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,1,0,0,0,1|1,0,1]=4 125 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091R [0,1,0,0,0,1|2,0,0]=4 127 B9R1.69 CC1=CNC(=O)NC1=O HY-W010450 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.69 CC1=NNC(=O)NC1=O HY-136559 [0,1,0,0,0,1|2,0,0]=4 129 B9R1.69 [15NH]1C=C([13CH3])C(=O)[15NH]C1=O HY-W747214 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,1,0,0,0,1|1,0,1]=4 131 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,1,0,0,0,1|0,0,1]=3 132 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,1,0,0,0,1|0,0,1]=3 133 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [0,1,0,0,0,1|1,0,1]=4 134 B9R1.34 CC1=CC(=O)NC(=S)N1 HY-B0513 [0,1,0,0,0,1|1,0,1]=4 135 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,2,0,0,0,0|0,0,0]=2 136 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,2,0,0,0,0|2,0,0]=4 137 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,1,1,0,0|2,0,0]=4 138 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,1,0,1,0|2,0,0]=4 139 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,1,0,1,0|1,0,0]=3 140 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,1,0,1,0|1,0,0]=3 141 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,1,0,1,0|2,0,0]=4 142 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,1,0,1,0|1,0,0]=3 143 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,1,0,1,0|1,0,1]=4 144 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,1,0,1,0|1,0,1]=4 145 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,1,0,1,0|1,0,1]=4 146 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,1,0,1,0|1,0,1]=4 147 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,1,0,1,0|1,0,1]=4 148 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,1,0,1,0|1,0,1]=4 149 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,1,0,1,0|1,0,1]=4 150 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,1,0,1,0|1,0,1]=4 151 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,1,0,1,0|2,0,0]=4 152 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,1,0,1,0|2,0,0]=4 153 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,1,0,1,0|2,0,0]=4 154 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,1,0,1,0|2,0,0]=4 155 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,1,0,1,0|2,0,0]=4 156 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,1,0,1,0|2,0,0]=4 157 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,0,1,0|0,0,2]=4 158 B5R1.2 O=C1COC1 HY-76440 [1,0,0,0,1,0|0,0,1]=3