0 B6R0.6 CCCCCC=O 023326S [0,0,0,0,0,0|1,0,0]=1 1 B6R0.6 CCCCCCC 05-0700 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 CCCCCCF 26-926 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 N#CCCCCN 08-6256 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 CCCCCC 05-0600 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.2 CCCCCF 26-1004 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.2 CCCCCO 40-0500 [1,0,0,0,0,0|0,0,2]=3 7 B5R0.2 CCO\C=C/Br 08-929 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 FCCCCBr 09-3175 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 FCCCCF 27-110 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 NCCCCN BIO-341 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 NCCCCN BIO-688 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCCCCCC 05-0800 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.1 CCCCCCCF 26-925 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.1 CCCCCCCO 40-0700 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.1 [N-]=[N+]=NCCCC=O 08-9611 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.3 CSCC[C@H](N)CO 022900 [0,1,0,0,0,0|0,0,2]=3 17 B7R0.3 CSCC[C@H](N)CO 04-2082 [0,1,0,0,0,0|0,0,2]=3 18 B7R0.4 CCCCCC(=O)O 10-0600 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.4 CCCCO[N+](=O)[O-] 08-160 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.4 NCCCCC(=O)O 12-902 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 BrC[C@H]1CCOC1 08-5652 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.1 CN[C@H]1CCOC1 021584 [0,0,0,1,0,0|2,1,0]=4 23 B7R1.1 CO[C@H]1CCNC1 021663 [0,0,0,1,0,0|2,1,0]=4 24 B7R1.1 CO[C@H]1CCNC1 08-5374 [0,0,0,1,0,0|2,1,0]=4 25 B7R1.1 N#C[C@H]1CCNC1 08-6984 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 N#C[C@H]1CCNC1 19-2218 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 N#C[C@H]1CCNC1 19-2219 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 NCC1CCCC1 08-3096 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 NC[C@H]1CCOC1 024073 [0,0,0,1,0,0|1,1,1]=4 30 B7R1.1 NC[C@H]1CCOC1 024079 [0,0,0,1,0,0|1,1,1]=4 31 B7R1.1 NC[C@H]1CCOC1 08-7947 [0,0,0,1,0,0|1,1,1]=4 32 B7R1.1 NNC1CCCC1 08-10323 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 NN[C@H]1CCNC1 08-9589 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.1 OC[C@H]1CCNC1 024190 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.1 OC[C@H]1CCNC1 024313 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.1 OC[C@H]1CCNC1 024378 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.1 OC[C@H]1CCNC1 08-5614 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.1 OC[C@H]1CCNC1 23-1825 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.1 OC[C@H]1CCOC1 022311S [0,0,0,1,0,0|0,1,2]=4 40 B7R1.1 OC[C@H]1CCOC1 08-5650 [0,0,0,1,0,0|0,1,2]=4 41 B7R1.3 FC1CCCCC1 26-889 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 F[C@H]1CCCNC1 08-7348 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 F[C@H]1CCCNC1 19-2157 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 F[C@H]1CCCNC1 24-1864 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 NC1CCCCC1 BIO-325 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 NC1CCCCC1 BIO-931 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 N[C@H]1CCCOC1 08-5691 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.3 O=C1CCCNC1 08-7861 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.3 O=C1CCCOC1 08-7989 [0,0,0,1,0,0|0,1,0]=2 50 B7R1.3 O=C1CCCSC1 08-7956 [0,0,0,1,0,0|0,0,0]=1 51 B7R1.3 O=C1CCNCC1 06-1702 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.3 O=C1CCSCC1 08-5722 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 O=C1COCCN1 08-7686 [0,0,0,1,0,0|1,1,0]=3 54 B7R1.3 O=S1CCNCC1 08-5711 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 O[C@H]1CCCNC1 08-5291 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.4 O=C1CCC=C1Br 08-1640 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.6 CNCC1COC1 08-7740 [0,0,0,1,0,0|2,1,0]=4 61 B7R1.6 COCC1CNC1 021746 [0,0,0,1,0,0|2,1,0]=4 62 B7R1.6 COCC1CNC1 08-4564 [0,0,0,1,0,0|2,1,0]=4 63 B7R1.6 OCCC1COC1 08-8063 [0,0,0,1,0,0|0,1,2]=4 64 B7R1.24 C1CNCCOC1 08-5738 [0,0,0,1,0,0|2,1,0]=4 65 B7R1.24 C1CNCCSC1 08-5317 [0,0,0,1,0,0|2,0,0]=3 66 B4R0.2 CCCCO 40-0400 [2,0,0,0,0,0|0,0,1]=3 67 B4R0.2 CCCNN 08-9468 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 ClCCCI 08-5068 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 FCCCF 26-3361 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.2 NCCCCl 19-913 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 OCCCF 26-3886 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.1 CCC[C@@H](O)CC 40-0600 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.4 CCCCC(=O)O 025124 [1,1,0,0,0,0|0,0,0]=2 74 B6R0.4 CCCCC(=O)O 71-0509 [1,1,0,0,0,0|0,0,0]=2 75 B6R0.4 NCCCC(=O)O 020706 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.4 NCCCC(=O)O 06-1637 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.6 CCCCCC(=O)CC 025222S [0,2,0,0,0,0|1,0,0]=3 78 B8R0.6 CCCCCC(=O)OC 20-0600 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.6 CCCCOC(=O)CF 26-325 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.7 CCCCCCC(=O)O 10-0700 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.7 CCCCCCC(C)=O 023294S [0,2,0,0,0,0|1,0,0]=3 82 B8R0.7 [N-]=[N+]=NCCCC(=O)O 08-4662 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO BIO-777 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.8 CCCC[C@H](N)C(=O)O 025863 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.8 CCCC[C@H](N)C(=O)O 24-1855 [0,2,0,0,0,0|1,0,0]=3 86 B8R0.8 CCCC[C@H](N)C(=O)O 25-080 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.8 CCCC[C@H](N)C(N)=O 04-2195 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.8 CSCC[C@H](N)C(=O)O 025848 [0,2,0,0,0,0|0,0,0]=2 89 B8R0.8 CSCC[C@H](N)C(=O)O 25-041 [0,2,0,0,0,0|0,0,0]=2 90 B8R0.8 CSCC[C@H](N)C(=O)O BIO-438 [0,2,0,0,0,0|0,0,0]=2 91 B8R0.8 CSCC[C@H](N)C(N)=O 04-2070 [0,2,0,0,0,0|0,0,0]=2 92 B8R0.8 C[Se]CC[C@H](N)C(=O)O 06-1368 [0,2,0,0,0,0|0,1,0]=3 93 B8R0.8 NCCC[C@H](N)C(=O)O 04-2220 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.8 NCCC[C@H](N)C(=O)O 22-402 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.9 COC(=O)CCC(=O)Cl 08-6945 [0,2,0,0,0,0|0,1,1]=4 96 B8R0.5 CCC[C@H](O)CC(=O)O 14-0603 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.28 CC(=O)NCCC(=O)O 04-013 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.28 O=C(O)CCCC(=O)O 15-0500 [0,2,0,0,0,0|2,0,0]=4 99 B6R1.1 C1=CCNCC1 08-5660 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 Br[C@H]1CCOC1 08-4941 [1,0,0,1,0,0|1,1,0]=4 101 B6R1.2 C[C@H]1CCCN1 04-2368 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 F[C@H]1CCNC1 023811 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.2 F[C@H]1CCNC1 025083 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.2 F[C@H]1CCNC1 08-5242 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.2 I[C@H]1CCOC1 08-5328 [1,0,0,1,0,0|1,1,0]=4 106 B6R1.2 N[C@H]1CCOC1 025406S [1,0,0,1,0,0|1,1,0]=4 107 B6R1.2 N[C@H]1CCOC1 08-6170 [1,0,0,1,0,0|1,1,0]=4 108 B6R1.2 O=C1CCNC1 08-5561 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.2 O=C1CCOC1 08-5730 [1,0,0,1,0,0|0,1,0]=3 110 B6R1.2 O[C@H]1CCNC1 021873 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.2 O[C@H]1CCNC1 025212S [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 O[C@H]1CCNC1 025430 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 O[C@H]1CCNC1 08-5290 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 O[C@H]1CCOC1 025772 [1,0,0,1,0,0|0,1,1]=4 115 B6R1.2 O[C@H]1CCOC1 08-5304 [1,0,0,1,0,0|0,1,1]=4 116 B6R1.3 NCCC1CC1 08-7026 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.3 OCCC1CC1 08-7025 [1,0,0,1,0,0|0,0,2]=4 118 B6R1.4 C[C@H]1COC1=O 08-7564 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.6 CN[C@@H]1CCN1 08-6293 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.6 CSC1CNC1 08-5390 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.6 ICC1COC1 08-7487 [1,0,0,1,0,0|1,1,0]=4 122 B6R1.6 NCC1CCC1 08-5019 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.6 NCC1CCC1 08-5062 [1,0,0,1,0,0|1,0,1]=4 124 B6R1.6 NCC1COC1 08-4032 [1,0,0,1,0,0|1,1,0]=4 125 B6R1.6 NNC1CCC1 08-9700 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.6 OCC1CNC1 08-3836 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.6 OCC1COC1 08-5764 [1,0,0,1,0,0|0,1,1]=4 128 B8R1.2 BrCC1CCSCC1 08-9275 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.2 N#CC1CCSCC1 08-6146 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.2 NCC1CCSCC1 08-6149 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.2 NNC1CCSCC1 08-10322 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.2 O=CC1CCOCC1 08-1315 [0,1,0,1,0,0|0,1,0]=3 133 B8R1.2 OCC1CCSCC1 08-6150 [0,1,0,1,0,0|0,0,2]=4 134 B8R1.5 CN1CCNCC1=O 08-7559 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.5 O=C1CCCC=C1Br 08-1639 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.5 O=C1CCOC[C@@H]1Br 08-6716 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.5 O=C1CCOC[C@@H]1F 08-3979 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.22 O=C1CCCCCO1 19-1299 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.22 O=C1CCSCCN1 08-5724 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.1 O=C1CC[C@H](CO)N1 020980S [0,1,0,1,0,0|2,0,0]=4 141 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.4 O=C1CCNC(=O)C1 08-7934 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.4 O=C1COCC(=O)C1 08-7935 [0,1,0,1,0,0|0,1,1]=4 148 B8R1.7 CC(=O)[C@H]1CCNC1 08-10165 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.7 NC(=O)[C@@H]1CCCN1 04-2362 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.7 NC(=O)[C@@H]1CCCN1 24-1863 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.7 NC(=O)[C@H]1CCNC1 021340S [0,1,0,1,0,0|1,0,0]=3 152 B8R1.7 NC(=O)[C@H]1CCNC1 08-5570 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.7 NC(=O)[C@H]1CCNC1 20-2113 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.7 NC(=O)[C@H]1CCNC1 20-2210 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.7 NC(=O)[C@H]1CCNC1 26-2701 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.7 O=C(O)[C@@H]1CCCN1 020707 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.7 O=C(O)[C@@H]1CCCN1 025642 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.7 O=C(O)[C@@H]1CCCN1 BIO-410 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.7 O=C(O)[C@H]1CCNC1 020984 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.7 O=C(O)[C@H]1CCOC1 08-5648 [0,1,0,1,0,0|0,1,0]=3 161 B8R1.34 CC(=O)NC1CNC1 08-4655 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.34 O=[N+]([O-])CC1COC1 08-5529 [0,1,0,1,0,0|1,1,0]=4 163 B8R2.42 C1NCC12CSC2 08-7980 [0,0,0,2,0,0|2,0,0]=4