0 B5R0.1 C=C(C)OCC 08-3147 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CCCC(=O)O 10-0400 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C\C=C\C(=O)O 020716 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 NCCC(=O)O 025502 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 O=C(O)CCCl CS-222 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)CF 26-862 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CC(=O)NO BIO-467 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(C)=CBr 08-1738 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 CC(C)C=O CS-446 [1,0,0,0,0,0|0,0,2]=3 9 B4R0.1 CCC(=O)O 10-0300 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 COC(C)=O 20-0200 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CS[S+](C)C 26-732 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C[C@H](N)CO 026144 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C[C@H](N)CO 04-156 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 F\C=C(\F)Cl 26-2755 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 NC(=O)CBr CS-113 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 NC(=O)NO BIO-216 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 NC(=S)CF 08-7361 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 NCC(=O)O BIO-131 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 NCC(N)=O 06-036 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 O=C(O)CI CS-620 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 O=C(O)CO 026169 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 OCC(F)F 26-660 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 ON=C(Br)Br 08-1052 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.2 CCCCO 40-0400 [1,0,0,0,0,0|0,0,2]=3 25 B4R0.2 OCCCF 26-3886 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 CCCC(=O)OC 20-0400 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 CCNC(=O)CO 08-10467 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCOC(=O)CF 26-792 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCOC(=O)CN 04-1586 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 COC(=O)\C=C/Br 08-1758 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 COC(=O)\C=C/I 08-3227 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.2 CC(C)=CB(O)O 08-1082 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.2 CC(C)CB(O)O 08-353 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.2 CC(C)CC(=O)O 022864S [0,1,0,0,0,0|0,0,3]=4 35 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 CC(C)C(=O)NN 08-5319 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,1,0,0,0,0|0,0,2]=3 38 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,1,0,0,0,0|0,0,2]=3 39 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.4 FC(F)=CCCBr 27-038 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.5 C[N+](C)(C)CCO BIO-108 [0,1,0,0,0,0|1,0,1]=3 46 B6R1.2 BrC1=CON=C1 08-113 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 BrC1=NOC=C1 08-1711 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 Br[C@H]1CCOC1 08-4941 [0,0,0,1,0,0|1,0,2]=4 49 B6R1.2 C[C@H]1CCCN1 04-2368 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 I[C@H]1CCOC1 08-5328 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.2 NC1=NOC=C1 08-5339 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 N[C@H]1CCOC1 025406S [0,0,0,1,0,0|1,0,2]=4 53 B6R1.2 N[C@H]1CCOC1 08-6170 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.2 O=C1CCNC1 08-5561 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 O=C1CCOC1 08-5730 [0,0,0,1,0,0|1,0,1]=3 56 B6R1.2 O[C@H]1CCOC1 025772 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.2 O[C@H]1CCOC1 08-5304 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.3 NCCC1CC1 08-7026 [0,0,0,1,0,0|1,0,2]=4 59 B6R1.3 OCCC1CC1 08-7025 [0,0,0,1,0,0|0,0,2]=3 60 B6R1.5 CN1CC(N)C1 08-5360 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.5 CN1CC(O)C1 08-5286 [0,0,0,1,0,0|1,0,1]=3 62 B6R1.5 NC1CC(=O)C1 08-4619 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.5 NC1CC(O)C1 08-4590 [0,0,0,1,0,0|1,0,2]=4 64 B6R1.5 N[C@H]1C[C@@H](O)C1 08-4629 [0,0,0,1,0,0|1,0,2]=4 65 B6R1.5 O=C1CC(Br)C1 08-6789 [0,0,0,1,0,0|2,0,1]=4 66 B3R0.2 CB(O)O 08-378 [2,0,0,0,0,0|2,0,0]=4 67 B3R0.2 C[O+](C)C 26-2013 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 C=C(CO)CO 08-5506 [1,1,0,0,0,0|0,0,1]=3 69 B5R0.3 CCC(=O)OC 20-0300 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.3 CC[C@H](C)CO 025049S [1,1,0,0,0,0|0,0,1]=3 71 B5R0.3 COC(=O)CN 04-1589 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.3 O=C(CCl)CCl 08-2018 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(C)(O)C=O 025111S [1,1,0,0,0,0|0,0,2]=4 74 B5R0.5 C=C(F)C(=O)O 26-4713 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 CC(=O)C(=O)O 020761 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.5 CC(=O)C(F)F 27-108 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.5 CC(=O)[C@H](C)F 26-3573 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.5 CC(C)C(N)=O 08-2289 [1,1,0,0,0,0|0,0,2]=4 79 B5R0.5 CC(C)C(N)=S 08-2423 [1,1,0,0,0,0|0,1,1]=4 80 B5R0.5 C[C@H](N)C(=O)O 04-113 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.5 C[C@H](N)C(=O)O BIO-434 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.5 C[C@H](N)C(=O)O BIO-440 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.5 C[C@H](O)C(=O)O BIO-636 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.5 O=C(O)C(=O)O 15-0200 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.2 BrC\C=C\CBr 06-1379 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.2 CCCCCO 40-0500 [1,1,0,0,0,0|0,0,2]=4 87 B5R0.2 CCO\C=C/Br 08-929 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.2 CC(C)C[C@H](N)CO 024045 [0,2,0,0,0,0|0,0,2]=4 89 B7R0.2 CC(C)C[C@H](N)CO 04-1926 [0,2,0,0,0,0|0,0,2]=4 90 B7R0.10 CC[C@@H](C)[C@@H](N)CO 04-1851 [0,2,0,0,0,0|0,0,2]=4 91 B7R0.10 COC(=O)C(=O)CBr 08-1105 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.11 C[N+](C)(CF)CCO 26-3577 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.6 CC(=O)NCC(=O)O 04-2739 [0,2,0,0,0,0|2,0,0]=4 96 B5R1.2 BrC1COC1 08-3874 [1,0,0,1,0,0|1,0,1]=4 97 B5R1.2 CC1CNC1 08-5492 [1,0,0,1,0,0|1,0,1]=4 98 B5R1.2 ClC1COC1 08-7070 [1,0,0,1,0,0|1,0,1]=4 99 B5R1.2 IC1COC1 08-3990 [1,0,0,1,0,0|1,0,1]=4 100 B5R1.2 NC1COC1 025941 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.2 NC1COC1 08-3290 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.2 O=C1CNC1 08-4650 [1,0,0,1,0,0|2,0,0]=4 103 B5R1.2 O=C1COC1 08-2476 [1,0,0,1,0,0|1,0,0]=3 104 B5R1.2 O=C1CSC1 08-4092 [1,0,0,1,0,0|1,1,0]=4 105 B5R1.2 OC1COC1 08-4030 [1,0,0,1,0,0|1,0,1]=4 106 B5R1.2 SC1COC1 08-7827 [1,0,0,1,0,0|1,0,1]=4 107 B5R1.3 BrCC1CC1 08-1050 [1,0,0,1,0,0|1,0,1]=4 108 B5R1.3 CNC1CC1 08-10334 [1,0,0,1,0,0|1,0,1]=4 109 B5R1.3 CNC1CC1 08-5491 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.1 BrCC1=CCCC1 08-6691 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.1 BrC[C@H]1CCOC1 08-5652 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.1 CN[C@H]1CCOC1 021584 [0,1,0,1,0,0|0,0,2]=4 113 B7R1.1 NCC1=COC=C1 08-8102 [0,1,0,1,0,0|0,0,2]=4 114 B7R1.1 NCC1=NOC=C1 08-7508 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.1 NC[C@H]1CCOC1 024073 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.1 NC[C@H]1CCOC1 024079 [0,1,0,1,0,0|0,0,2]=4 117 B7R1.1 NC[C@H]1CCOC1 08-7947 [0,1,0,1,0,0|0,0,2]=4 118 B7R1.1 OC[C@H]1CCOC1 022311S [0,1,0,1,0,0|0,0,2]=4 119 B7R1.1 OC[C@H]1CCOC1 08-5650 [0,1,0,1,0,0|0,0,2]=4 120 B7R1.2 CN1CC[C@H](O)C1 024105 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.2 CN1CC[C@H](O)C1 025079 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.2 O=C1C=C(Br)CO1 08-1670 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.3 C[C@H]1COCCO1 27-297 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.3 O=C1CCCOC1 08-7989 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.3 O=C1COCCN1 08-7686 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.6 COC=C1COC1 08-5519 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.6 N#CC=C1COC1 08-8060 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.6 OCCC1COC1 08-8063 [0,1,0,1,0,0|0,0,2]=4 131 B7R1.10 CCN1CC(O)C1 08-4604 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.10 NCC1CC(O)C1 08-6321 [0,1,0,1,0,0|0,0,2]=4 133 B7R1.10 NC[C@H]1C[C@@H](O)C1 08-4615 [0,1,0,1,0,0|0,0,2]=4 134 B7R1.10 NC[C@H]1C[C@H](O)C1 08-4616 [0,1,0,1,0,0|0,0,2]=4 135 B7R1.10 O=C1CC(CO)C1 08-5307 [0,1,0,1,0,0|1,0,1]=4