0 B6R0.9 CCN(CC)N=O HY-N7434 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,1]=3 2 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|2,0,1]=4 3 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|0,0,0]=1 4 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|2,0,1]=4 5 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 NCC(O)CO HY-W002040 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 O=CC(O)CO HY-128748 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.3 OC(CBr)CBr HY-W014092 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 OCC(O)CO HY-B1659 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 OCC(O)CO HY-B1659R [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 OCC(S)CS HY-B1285 [1,0,0,0,0,0|2,1,0]=4 15 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,0,0,0,0|0,0,0]=1 16 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.18 CC[N+](C)(CC)CC HY-W101255 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.18 CC[N+](C)(CC)CC HY-W101256 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.18 CC[Si](Cl)(CC)CC HY-W040306 [0,1,0,0,0,0|1,1,1]=4 22 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,0,0,1,0,0|1,0,2]=4 25 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,1]=4 26 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 27 B4R0.1 CC(O)CN HY-W015969 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,1]=3 30 B4R0.1 C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.1 C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.2 BrCCCBr HY-Y1806 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,1,0,0,0,0|1,0,0]=3 50 B6R0.3 CC(CO)C(=O)O HY-113126 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|1,0,1]=4 53 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,2]=4 54 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.3 COC(=O)C(C)N HY-W010324 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,1,0,0,0,0|0,0,2]=4 65 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,1,0,0,0,0|2,0,0]=4 79 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,1,0,0,0,0|2,0,0]=4 81 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,1,0,0,0,0|2,0,0]=4 82 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|1,0,0]=3 91 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.20 CCN(CC)C(=S)SC HY-151229 [0,2,0,0,0,0|1,1,0]=4 95 B8R0.20 CCN(CC)C(=S)S[Ag] HY-W034674 [0,2,0,0,0,0|1,1,0]=4 96 B8R0.20 CCN(CC)C(=S)S[Na] HY-B1637 [0,2,0,0,0,0|1,1,0]=4 97 B8R0.20 CCN(CC)C(=S)S[Na] HY-B1637A [0,2,0,0,0,0|1,1,0]=4 98 B8R0.20 CCN(CC)C(=S)S[Na] HY-W009722 [0,2,0,0,0,0|1,1,0]=4 99 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,2,0,0,0,0|1,0,0]=3 101 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,2,0,0,0,0|1,0,0]=3 102 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.36 CCC(O)(CC)C(=O)O HY-142105 [0,2,0,0,0,0|0,0,0]=2 104 B8R0.10 CCC(CC)(CO)CO HY-W294348 [0,2,0,0,0,0|0,0,2]=4 105 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|1,0,1]=4 106 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|0,0,0]=2 111 B8R1.2 OCC1CCC=CO1 HY-34692 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,1,0,0|0,0,2]=4 113 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|1,0,0]=3 116 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|1,0,0]=3 117 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|1,0,0]=3 118 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|1,0,0]=3 119 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|1,0,0]=3 120 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|1,0,0]=3 121 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|1,0,0]=3 122 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|1,0,0]=3 131 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.7 S=C(S)N1CCCC1 HY-18738 [0,1,0,1,0,0|1,1,0]=4