0 B4R0.2 C#CCON 08-4054 [0,0,0,0,0,0|2,1,1]=4 1 B4R0.2 C=CCNN 08-9875 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 CCCCO 40-0400 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.2 CCCNN 08-9468 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 ClCCCI 08-5068 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 FCCCF 26-3361 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 NCCCCl 19-913 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 OCCCF 26-3886 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 CCNN 08-6014 [1,0,0,0,0,0|2,0,0]=3 9 B3R0.1 FCCI 26-3656 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.1 NCCBr 20-101 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.1 NCCS BIO-755 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 C=C(C)OCC 08-3147 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.1 CCCB(O)O 08-422 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.1 CCCC(=O)O 10-0400 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.1 CNCC(=O)O 04-2418 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.1 CNCC(=O)O BIO-957 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.1 CNCC(N)=O 04-2420 [0,1,0,0,0,0|1,0,2]=4 18 B5R0.1 C\C=C\C(=O)O 020716 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.1 NCCC(=O)O 025502 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.1 O=C(O)CCCl CS-222 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.2 BrCC#CCBr 08-10500 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.2 BrC\C=C\CBr 06-1379 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.2 CCCCCC 05-0600 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.2 CCCCCF 26-1004 [0,1,0,0,0,0|2,0,0]=3 25 B5R0.2 CCCCCO 40-0500 [0,1,0,0,0,0|1,0,0]=2 26 B5R0.2 FCCCCBr 09-3175 [0,1,0,0,0,0|2,0,0]=3 27 B5R0.2 FCCCCF 27-110 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.2 NCCCCN BIO-341 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.2 NCCCCN BIO-688 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.3 C=C(CO)CO 08-5506 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.3 CCC(=O)OC 20-0300 [0,1,0,0,0,0|1,1,1]=4 32 B5R0.3 CC[C@H](C)CO 025049S [0,1,0,0,0,0|1,0,0]=2 33 B5R0.3 CC[C@H](C)NN 08-9272 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.3 COC(=O)CN 04-1589 [0,1,0,0,0,0|1,1,1]=4 35 B5R0.3 CSC(=N)NN 08-4024 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.3 O=C[C@@H](O)CO BIO-609 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.3 O=C[C@@H](O)CO BIO-610 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.3 OC(CF)CF 26-701 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.3 O[C@@H](CF)CCl 26-408 [0,1,0,0,0,0|3,0,0]=4 40 B5R1.2 BrC1COC1 08-3874 [0,0,0,1,0,0|1,1,0]=3 41 B5R1.2 CC1CNC1 08-5492 [0,0,0,1,0,0|2,0,0]=3 42 B5R1.2 ClC1CNC1 08-5066 [0,0,0,1,0,0|2,0,0]=3 43 B5R1.2 ClC1COC1 08-7070 [0,0,0,1,0,0|1,1,0]=3 44 B5R1.2 FC1CNC1 08-3180 [0,0,0,1,0,0|2,0,0]=3 45 B5R1.2 IC1COC1 08-3990 [0,0,0,1,0,0|1,1,0]=3 46 B5R1.2 NC1CNC1 08-2841 [0,0,0,1,0,0|2,0,0]=3 47 B5R1.2 NC1COC1 025941 [0,0,0,1,0,0|1,1,0]=3 48 B5R1.2 NC1COC1 08-3290 [0,0,0,1,0,0|1,1,0]=3 49 B5R1.2 NC1CSC1 08-5714 [0,0,0,1,0,0|1,0,0]=2 50 B5R1.2 O=C1CNC1 08-4650 [0,0,0,1,0,0|1,0,2]=4 51 B5R1.2 O=C1COC1 08-2476 [0,0,0,1,0,0|0,1,2]=4 52 B5R1.2 O=C1CSC1 08-4092 [0,0,0,1,0,0|0,0,2]=3 53 B5R1.2 OC1CNC1 08-3985 [0,0,0,1,0,0|1,0,0]=2 54 B5R1.2 OC1COC1 08-4030 [0,0,0,1,0,0|0,1,0]=2 55 B5R1.2 SC1COC1 08-7827 [0,0,0,1,0,0|0,2,0]=3 56 B5R1.3 BrCC1CC1 08-1050 [0,0,0,1,0,0|2,0,0]=3 57 B5R1.3 CNC1CC1 08-10334 [0,0,0,1,0,0|2,0,0]=3 58 B5R1.3 CNC1CC1 08-5491 [0,0,0,1,0,0|2,0,0]=3 59 B5R1.3 NNC1CC1 08-9701 [0,0,0,1,0,0|3,0,0]=4 60 B2R0.1 CCC BIO-417 [2,0,0,0,0,0|0,0,0]=2 61 B2R0.1 O=CO 020470 [2,0,0,0,0,0|0,1,1]=4 62 B4R0.1 CC(=O)CF 26-862 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.1 CC(=O)NO BIO-467 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.1 CC(C)C=O CS-446 [1,1,0,0,0,0|0,0,2]=4 65 B4R0.1 CCB(O)O 08-278 [1,1,0,0,0,0|1,0,0]=3 66 B4R0.1 CCC(=O)O 10-0300 [1,1,0,0,0,0|0,0,1]=3 67 B4R0.1 COC(C)=O 20-0200 [1,1,0,0,0,0|0,1,1]=4 68 B4R0.1 CS[S+](C)C 26-732 [1,1,0,0,0,0|1,0,0]=3 69 B4R0.1 C[C@H](N)CO 026144 [1,1,0,0,0,0|0,0,0]=2 70 B4R0.1 C[C@H](N)CO 04-156 [1,1,0,0,0,0|0,0,0]=2 71 B4R0.1 FC(F)CI 27-171 [1,1,0,0,0,0|2,0,0]=4 72 B4R0.1 NCC(=O)O BIO-131 [1,1,0,0,0,0|1,0,1]=4 73 B4R0.1 NCC(F)F 27-111 [1,1,0,0,0,0|2,0,0]=4 74 B4R0.1 NCC(F)F 27-112 [1,1,0,0,0,0|2,0,0]=4 75 B4R0.1 O=C(O)CI CS-620 [1,1,0,0,0,0|1,0,1]=4 76 B4R0.1 O=C(O)CO 026169 [1,1,0,0,0,0|0,1,1]=4 77 B4R0.1 OCC(F)F 26-660 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.1 CCCC(=O)OC 20-0400 [0,2,0,0,0,0|1,0,1]=4 79 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.1 CCNC(=O)CO 08-10467 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.1 CNCC(=O)OC 04-2425 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.2 CC(C)CB(O)O 08-353 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.2 CC(C)CC(=O)O 022864S [0,2,0,0,0,0|1,0,1]=4 84 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,2,0,0,0,0|1,0,0]=3 87 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,2,0,0,0,0|1,0,1]=4 89 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,2,0,0,0,0|1,0,1]=4 90 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,2,0,0,0,0|2,0,0]=4 92 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,2,0,0,0,0|2,0,0]=4 94 B6R0.4 CCCCC(=O)O 025124 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.4 CCCCC(=O)O 71-0509 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.4 NCCCC(=O)O 020706 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.4 NCCCC(=O)O 06-1637 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.5 C=CCC(C)(C)O 08-7735 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.5 CSC[B-](F)(F)F 08-2782 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.5 C[N+](C)(C)CCO BIO-108 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.5 OCCC(F)(F)F 26-1995 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.6 CCCCCC=O 023326S [0,2,0,0,0,0|1,0,1]=4 103 B6R0.6 CCCCCCC 05-0700 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.6 CCCCCCF 26-926 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.6 N#CCCCCN 08-6256 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.8 CC(N)(CO)CO BIO-030 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.8 COC(C)(C)CN 08-5509 [0,2,0,0,0,0|1,1,0]=4 108 B6R0.9 CCC(CC)NN 08-9439 [0,2,0,0,0,0|2,0,0]=4 109 B6R1.2 Br[C@H]1CCOC1 08-4941 [0,1,0,1,0,0|1,0,0]=3 110 B6R1.2 C[C@H]1CCCN1 04-2368 [0,1,0,1,0,0|2,0,0]=4 111 B6R1.2 F[C@H]1CCNC1 023811 [0,1,0,1,0,0|2,0,0]=4 112 B6R1.2 F[C@H]1CCNC1 025083 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.2 F[C@H]1CCNC1 08-5242 [0,1,0,1,0,0|2,0,0]=4 114 B6R1.2 I[C@H]1CCOC1 08-5328 [0,1,0,1,0,0|1,0,0]=3 115 B6R1.2 N[C@H]1CCOC1 025406S [0,1,0,1,0,0|1,0,0]=3 116 B6R1.2 N[C@H]1CCOC1 08-6170 [0,1,0,1,0,0|1,0,0]=3 117 B6R1.2 O=C1CCNC1 08-5561 [0,1,0,1,0,0|1,0,1]=4 118 B6R1.2 O=C1CCOC1 08-5730 [0,1,0,1,0,0|1,0,0]=3 119 B6R1.2 O[C@H]1CCNC1 021873 [0,1,0,1,0,0|1,0,0]=3 120 B6R1.2 O[C@H]1CCNC1 025212S [0,1,0,1,0,0|1,0,0]=3 121 B6R1.2 O[C@H]1CCNC1 025430 [0,1,0,1,0,0|1,0,0]=3 122 B6R1.2 O[C@H]1CCNC1 08-5290 [0,1,0,1,0,0|1,0,0]=3 123 B6R1.2 O[C@H]1CCOC1 025772 [0,1,0,1,0,0|0,1,0]=3 124 B6R1.2 O[C@H]1CCOC1 08-5304 [0,1,0,1,0,0|0,1,0]=3 125 B6R1.3 NCCC1CC1 08-7026 [0,1,0,1,0,0|2,0,0]=4 126 B6R1.3 OCCC1CC1 08-7025 [0,1,0,1,0,0|1,0,0]=3 127 B6R1.5 CN1CC(N)C1 08-5360 [0,1,0,1,0,0|2,0,0]=4 128 B6R1.5 CN1CC(O)C1 08-5286 [0,1,0,1,0,0|1,0,0]=3 129 B6R1.5 NC1CC(=O)C1 08-4619 [0,1,0,1,0,0|2,0,0]=4 130 B6R1.5 NC1CC(F)C1 024048 [0,1,0,1,0,0|2,0,0]=4 131 B6R1.5 NC1CC(F)C1 08-5244 [0,1,0,1,0,0|2,0,0]=4 132 B6R1.5 NC1CC(O)C1 08-4590 [0,1,0,1,0,0|1,0,0]=3 133 B6R1.5 N[C@H]1C[C@@H](O)C1 08-4629 [0,1,0,1,0,0|1,0,0]=3 134 B6R1.5 O=C1CC(Br)C1 08-6789 [0,1,0,1,0,0|2,0,0]=4 135 B6R1.10 CC1(N)COC1 021356S [0,1,0,1,0,0|1,1,0]=4 136 B6R1.10 CC1(N)COC1 08-3263 [0,1,0,1,0,0|1,1,0]=4 137 B6R1.10 CC1(N)COC1 19-2824 [0,1,0,1,0,0|1,1,0]=4 138 B6R1.10 CC1(O)CNC1 08-5297 [0,1,0,1,0,0|1,0,0]=3 139 B6R1.10 CC1(O)COC1 08-7571 [0,1,0,1,0,0|0,1,0]=3 140 B6R1.10 FC1(F)CNC1 08-5084 [0,1,0,1,0,0|2,0,0]=4 141 B6R1.11 OB(O)C1CC1 08-1049 [0,1,0,1,0,0|2,0,0]=4 142 B6R1.1 C1=CCNCC1 08-5660 [0,1,0,1,0,0|2,0,0]=4 143 B6R1.1 C1COCCN1 26-4249 [0,1,0,1,0,0|1,0,0]=3 144 B6R1.1 C1COCCN1 27-202 [0,1,0,1,0,0|1,0,0]=3 145 B6R1.4 C[C@H]1COC1=O 08-7564 [0,1,0,1,0,0|2,0,0]=4 146 B6R1.6 BrC[C@H]1CCO1 08-4710 [0,1,0,1,0,0|1,0,0]=3 147 B6R1.6 CNC1CNC1 022309 [0,1,0,1,0,0|2,0,0]=4 148 B6R1.6 CNC1COC1 08-4007 [0,1,0,1,0,0|1,0,0]=3 149 B6R1.6 CNC1COC1 22-1821 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.6 CN[C@@H]1CCN1 08-6293 [0,1,0,1,0,0|2,0,0]=4 151 B6R1.6 COC1CNC1 08-5359 [0,1,0,1,0,0|1,0,0]=3 152 B6R1.6 CSC1CNC1 08-5390 [0,1,0,1,0,0|1,0,0]=3 153 B6R1.6 ICC1COC1 08-7487 [0,1,0,1,0,0|1,1,0]=4 154 B6R1.6 IC[C@H]1CCO1 08-7488 [0,1,0,1,0,0|1,0,0]=3 155 B6R1.6 N#CC1CNC1 08-4565 [0,1,0,1,0,0|2,0,0]=4 156 B6R1.6 NCC1CCC1 08-5019 [0,1,0,1,0,0|2,0,0]=4 157 B6R1.6 NCC1CCC1 08-5062 [0,1,0,1,0,0|2,0,0]=4 158 B6R1.6 NCC1COC1 08-4032 [0,1,0,1,0,0|1,1,0]=4 159 B6R1.6 NC[C@H]1CCO1 08-5756 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.6 NNC1CCC1 08-9700 [0,1,0,1,0,0|2,0,0]=4 161 B6R1.6 NNC1CNC1 08-9587 [0,1,0,1,0,0|2,0,0]=4 162 B6R1.6 OCC1CNC1 08-3836 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.6 OCC1COC1 08-5764 [0,1,0,1,0,0|0,1,0]=3 164 B6R1.6 OC[C@H]1CCO1 08-5757 [0,1,0,1,0,0|0,1,0]=3 165 B6R1.7 NC1(CO)CC1 08-4660 [0,1,0,1,0,0|1,0,0]=3