0 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCOC(=O)CN HY-76204 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,1]=3 3 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|0,0,0]=1 17 B5R0.2 OC\C=C/CO HY-W027631 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|3,0,0]=4 20 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|0,0,1]=2 21 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|3,0,0]=4 22 B5R0.3 O=CC(O)CO HY-128748 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|1,0,1]=3 25 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,1,0,0,0,0|2,1,0]=4 31 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|0,0,0]=1 32 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 O=CC1=CC=CS1 HY-W012941 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.1 O=CC1=CN=CS1 HY-69015 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.1 O=CC1=CNC=N1 HY-59303 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.4 CC1=CNN=C1C HY-W019334 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,1]=4 42 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|1,0,1]=4 45 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|1,0,1]=4 46 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,2]=4 58 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 72 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|0,0,1]=3 75 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|1,0,0]=3 87 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,0]=2 88 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,1]=4 105 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|0,0,2]=4 108 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|0,0,0]=2 109 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|0,0,2]=4 110 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,1,0,0,0,0|0,0,2]=4 111 B6R0.9 CCN(CC)N=O HY-N7434 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|1,0,1]=4 113 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|1,0,1]=4 114 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,2,0,0,0,0|1,0,1]=4 118 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,2,0,0,0,0|1,0,1]=4 119 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,2,0,0,0,0|1,0,1]=4 120 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,1]=4 122 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|0,0,2]=4 123 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,1,0,0|2,0,0]=4 124 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,1]=3 126 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 128 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|0,0,2]=4 143 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|0,0,0]=2 153 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|1,0,1]=4 157 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|2,0,0]=4 161 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|1,0,1]=4 163 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|1,0,1]=4 164 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|1,0,1]=4 165 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|1,0,1]=4 166 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|1,0,1]=4 167 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|1,0,1]=4