0 B6R1.2 Br[C@H]1CCOC1 08-4941 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 C[C@H]1CCCN1 04-2368 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 F[C@H]1CCNC1 023811 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 F[C@H]1CCNC1 025083 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 F[C@H]1CCNC1 08-5242 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 I[C@H]1CCOC1 08-5328 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 N[C@H]1CCOC1 025406S [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 N[C@H]1CCOC1 08-6170 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 O=C1C=CCO1 08-3977 [0,0,0,0,0,0|1,0,2]=3 9 B6R1.2 O=C1C=CSN1 08-6056 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 O=C1CCNC1 08-5561 [0,0,0,0,0,0|1,0,0]=1 11 B6R1.2 O=C1CCOC1 08-5730 [0,0,0,0,0,0|1,0,0]=1 12 B6R1.2 O[C@H]1CCNC1 021873 [0,0,0,0,0,0|1,0,2]=3 13 B6R1.2 O[C@H]1CCNC1 025212S [0,0,0,0,0,0|1,0,2]=3 14 B6R1.2 O[C@H]1CCNC1 025430 [0,0,0,0,0,0|1,0,2]=3 15 B6R1.2 O[C@H]1CCNC1 08-5290 [0,0,0,0,0,0|1,0,2]=3 16 B6R1.2 O[C@H]1CCOC1 025772 [0,0,0,0,0,0|1,0,2]=3 17 B6R1.2 O[C@H]1CCOC1 08-5304 [0,0,0,0,0,0|1,0,2]=3 18 B7R1.1 BrCC1=CCCC1 08-6691 [0,1,0,0,0,0|1,0,1]=3 19 B7R1.1 BrC[C@H]1CCOC1 08-5652 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 CN[C@H]1CCOC1 021584 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 CO[C@H]1CCNC1 021663 [0,1,0,0,0,0|1,0,2]=4 22 B7R1.1 CO[C@H]1CCNC1 08-5374 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.1 FC[C@H]1CCCN1 08-5262 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 N#C[C@@H]1CCCN1 08-10629 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.1 N#C[C@H]1CCNC1 08-6984 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.1 N#C[C@H]1CCNC1 19-2218 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 N#C[C@H]1CCNC1 19-2219 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 NCC1CCCC1 08-3096 [0,1,0,0,0,0|1,0,1]=3 29 B7R1.1 NC[C@H]1CCCO1 08-8019 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.1 NC[C@H]1CCOC1 024073 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 NC[C@H]1CCOC1 024079 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 NC[C@H]1CCOC1 08-7947 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 NNC1CCCC1 08-10323 [0,1,0,0,0,0|1,0,1]=3 34 B7R1.1 NN[C@H]1CCNC1 08-9589 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 OC[C@H]1CCCN1 04-1811 [0,1,0,0,0,0|1,0,2]=4 36 B7R1.1 OC[C@H]1CCCN1 04-1812 [0,1,0,0,0,0|1,0,2]=4 37 B7R1.1 OC[C@H]1CCCN1 24-1413 [0,1,0,0,0,0|1,0,2]=4 38 B7R1.1 OC[C@H]1CCNC1 024190 [0,1,0,0,0,0|1,0,2]=4 39 B7R1.1 OC[C@H]1CCNC1 024313 [0,1,0,0,0,0|1,0,2]=4 40 B7R1.1 OC[C@H]1CCNC1 024378 [0,1,0,0,0,0|1,0,2]=4 41 B7R1.1 OC[C@H]1CCNC1 08-5614 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.1 OC[C@H]1CCNC1 23-1825 [0,1,0,0,0,0|1,0,2]=4 43 B7R1.1 OC[C@H]1CCOC1 022311S [0,1,0,0,0,0|1,0,2]=4 44 B7R1.1 OC[C@H]1CCOC1 08-5650 [0,1,0,0,0,0|1,0,2]=4 45 B7R1.2 CN1CCC(=O)C1 08-3269 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.2 CN1CC[C@H](N)C1 024109 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.2 CN1CC[C@H](N)C1 024126 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.2 CN1CC[C@H](N)C1 08-5366 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.2 CN1CC[C@H](N)C1 20-1840 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.2 CN1CC[C@H](O)C1 024105 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.2 CN1CC[C@H](O)C1 025079 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 NC1=NC(=O)CS1 08-889 [0,1,0,0,0,0|2,0,1]=4 54 B7R1.2 NC1CCC(O)C1 08-6214 [0,1,0,0,0,0|0,0,2]=3 55 B7R1.2 O=C1C=C(Br)CO1 08-1670 [0,1,0,0,0,0|1,0,2]=4 56 B7R1.2 O=C1CCC(=O)N1 BIO-450 [0,1,0,0,0,0|1,0,1]=3 57 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.4 N[C@H]1CONC1=O BIO-126 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.4 O=C1CCC=C1Br 08-1640 [0,1,0,0,0,0|0,0,2]=3 60 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.14 CC1(C)CCNC1 08-5140 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.14 C[C@]1(O)CCNC1 08-5292 [0,1,0,0,0,0|1,0,2]=4 66 B7R1.14 FC1(F)CCNC1 08-3960 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.14 O=S1(=O)C=CCC1 08-5153 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.1 C=C(C)OCC 08-3147 [0,0,1,0,0,0|2,0,0]=3 69 B5R0.1 CCCB(O)O 08-422 [0,0,1,0,0,0|2,0,1]=4 70 B5R0.1 CCCC(=O)O 10-0400 [0,0,1,0,0,0|1,0,0]=2 71 B5R0.1 CNCC(=O)O 04-2418 [0,0,1,0,0,0|2,0,0]=3 72 B5R0.1 CNCC(=O)O BIO-957 [0,0,1,0,0,0|2,0,0]=3 73 B5R0.1 CNCC(N)=O 04-2420 [0,0,1,0,0,0|2,0,0]=3 74 B5R0.1 C\C=C\C(=O)O 020716 [0,0,1,0,0,0|1,0,2]=4 75 B5R0.1 NCCC(=O)O 025502 [0,0,1,0,0,0|2,0,0]=3 76 B5R0.1 O=C(O)CCCl CS-222 [0,0,1,0,0,0|2,0,0]=3 77 B5R0.2 CCCCCC 05-0600 [0,0,1,0,0,0|1,0,1]=3 78 B5R0.2 CCCCCF 26-1004 [0,0,1,0,0,0|1,0,1]=3 79 B5R0.2 CCCCCO 40-0500 [0,0,1,0,0,0|0,0,2]=3 80 B5R0.2 CCO\C=C/Br 08-929 [0,0,1,0,0,0|2,0,1]=4 81 B5R0.2 FCCCCBr 09-3175 [0,0,1,0,0,0|2,0,1]=4 82 B5R0.2 FCCCCF 27-110 [0,0,1,0,0,0|2,0,1]=4 83 B5R0.2 NCCCCN BIO-341 [0,0,1,0,0,0|2,0,1]=4 84 B5R0.2 NCCCCN BIO-688 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.3 C=C(CO)CO 08-5506 [0,0,1,0,0,0|3,0,0]=4 86 B5R0.3 CCC(=O)OC 20-0300 [0,0,1,0,0,0|1,0,0]=2 87 B5R0.3 CC[C@H](C)CO 025049S [0,0,1,0,0,0|2,0,1]=4 88 B5R0.3 COC(=O)CN 04-1589 [0,0,1,0,0,0|2,0,0]=3 89 B5R0.3 O=C(CCl)CCl 08-2018 [0,0,1,0,0,0|2,0,0]=3 90 B7R2.11 C1NC2CC1C2 08-9503 [0,0,0,1,0,0|2,0,1]=4 91 B7R2.13 C1NCC2CC12 08-6189 [0,0,0,1,0,0|2,0,1]=4 92 B5R1.2 BrC1COC1 08-3874 [0,0,0,0,1,0|2,0,1]=4 93 B5R1.2 CC1CNC1 08-5492 [0,0,0,0,1,0|2,0,1]=4 94 B5R1.2 ClC1CNC1 08-5066 [0,0,0,0,1,0|2,0,1]=4 95 B5R1.2 ClC1COC1 08-7070 [0,0,0,0,1,0|2,0,1]=4 96 B5R1.2 FC1CNC1 08-3180 [0,0,0,0,1,0|2,0,1]=4 97 B5R1.2 IC1COC1 08-3990 [0,0,0,0,1,0|2,0,1]=4 98 B5R1.2 NC1CNC1 08-2841 [0,0,0,0,1,0|2,0,1]=4 99 B5R1.2 NC1COC1 025941 [0,0,0,0,1,0|2,0,1]=4 100 B5R1.2 NC1COC1 08-3290 [0,0,0,0,1,0|2,0,1]=4 101 B5R1.2 NC1CSC1 08-5714 [0,0,0,0,1,0|2,0,1]=4 102 B5R1.2 O=C1CNC1 08-4650 [0,0,0,0,1,0|1,0,0]=2 103 B5R1.2 O=C1COC1 08-2476 [0,0,0,0,1,0|1,0,0]=2 104 B5R1.2 O=C1CSC1 08-4092 [0,0,0,0,1,0|1,0,0]=2 105 B5R1.2 OC1CNC1 08-3985 [0,0,0,0,1,0|1,0,2]=4 106 B5R1.2 OC1COC1 08-4030 [0,0,0,0,1,0|1,0,2]=4 107 B5R1.2 SC1COC1 08-7827 [0,0,0,0,1,0|1,1,1]=4 108 B7R1.3 BrC1CCOCC1 08-1312 [0,0,0,0,0,1|1,0,1]=3 109 B7R1.3 C[C@H]1COCCO1 27-297 [0,0,0,0,0,1|2,0,1]=4 110 B7R1.3 ClC1CCOCC1 08-4308 [0,0,0,0,0,1|1,0,1]=3 111 B7R1.3 FC1CCCCC1 26-889 [0,0,0,0,0,1|1,0,1]=3 112 B7R1.3 FC1CCNCC1 26-4712 [0,0,0,0,0,1|1,0,1]=3 113 B7R1.3 F[C@H]1CCCNC1 08-7348 [0,0,0,0,0,1|1,0,1]=3 114 B7R1.3 F[C@H]1CCCNC1 19-2157 [0,0,0,0,0,1|1,0,1]=3 115 B7R1.3 F[C@H]1CCCNC1 24-1864 [0,0,0,0,0,1|1,0,1]=3 116 B7R1.3 IC1CCOCC1 08-5344 [0,0,0,0,0,1|1,0,1]=3 117 B7R1.3 NC1CCCCC1 BIO-325 [0,0,0,0,0,1|1,0,1]=3 118 B7R1.3 NC1CCCCC1 BIO-931 [0,0,0,0,0,1|1,0,1]=3 119 B7R1.3 NC1CCOCC1 022312 [0,0,0,0,0,1|1,0,1]=3 120 B7R1.3 NC1CCOCC1 08-5695 [0,0,0,0,0,1|1,0,1]=3 121 B7R1.3 NC1CCSCC1 08-3331 [0,0,0,0,0,1|1,0,1]=3 122 B7R1.3 N[C@H]1CCCOC1 08-5691 [0,0,0,0,0,1|1,0,1]=3 123 B7R1.3 O=C1CCCNC1 08-7861 [0,0,0,0,0,1|0,0,0]=1 124 B7R1.3 O=C1CCCOC1 08-7989 [0,0,0,0,0,1|0,0,0]=1 125 B7R1.3 O=C1CCCSC1 08-7956 [0,0,0,0,0,1|0,0,0]=1 126 B7R1.3 O=C1CCNCC1 06-1702 [0,0,0,0,0,1|0,0,0]=1 127 B7R1.3 O=C1CCSCC1 08-5722 [0,0,0,0,0,1|0,0,0]=1 128 B7R1.3 O=C1COCCN1 08-7686 [0,0,0,0,0,1|1,0,0]=2 129 B7R1.3 O=S1CCNCC1 08-5711 [0,0,0,0,0,1|1,0,0]=2 130 B7R1.3 OC1CCOCC1 08-5300 [0,0,0,0,0,1|0,0,2]=3 131 B7R1.3 O[C@H]1CCCNC1 08-5291 [0,0,0,0,0,1|0,0,2]=3 132 B4R0.1 CC(=O)CF 26-862 [1,0,1,0,0,0|1,0,0]=3 133 B4R0.1 CC(=O)NO BIO-467 [1,0,1,0,0,0|2,0,0]=4 134 B4R0.1 CCC(=O)O 10-0300 [1,0,1,0,0,0|1,0,0]=3 135 B4R0.1 COC(C)=O 20-0200 [1,0,1,0,0,0|1,0,0]=3 136 B4R0.1 NC(=O)CBr CS-113 [1,0,1,0,0,0|2,0,0]=4 137 B4R0.1 NCC(=O)O BIO-131 [1,0,1,0,0,0|2,0,0]=4 138 B4R0.1 NCC(N)=O 06-036 [1,0,1,0,0,0|2,0,0]=4 139 B4R0.1 O=C(O)CI CS-620 [1,0,1,0,0,0|2,0,0]=4 140 B4R0.1 O=C(O)CO 026169 [1,0,1,0,0,0|2,0,0]=4 141 B4R0.2 CCCCO 40-0400 [1,0,1,0,0,0|0,0,1]=3 142 B4R0.2 CCCNN 08-9468 [1,0,1,0,0,0|2,0,0]=4 143 B4R0.2 ClCCCI 08-5068 [1,0,1,0,0,0|2,0,0]=4 144 B4R0.2 FCCCF 26-3361 [1,0,1,0,0,0|2,0,0]=4 145 B4R0.2 NCCCCl 19-913 [1,0,1,0,0,0|2,0,0]=4 146 B4R0.2 OCCCF 26-3886 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.1 CCCC(=O)OC 20-0400 [0,1,1,0,0,0|0,0,0]=2 148 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,1,1,0,0,0|0,0,2]=4 149 B6R0.1 CCNC(=O)CO 08-10467 [0,1,1,0,0,0|1,0,0]=3 150 B6R0.1 CCOC(=O)CF 26-792 [0,1,1,0,0,0|1,0,0]=3 151 B6R0.1 CCOC(=O)CN 04-1586 [0,1,1,0,0,0|1,0,0]=3 152 B6R0.1 CNCC(=O)OC 04-2425 [0,1,1,0,0,0|1,0,0]=3 153 B6R0.2 CC(C)CC(=O)O 022864S [0,1,1,0,0,0|1,0,0]=3 154 B6R0.2 C[C@H](O)CC(=O)O 021350 [0,1,1,0,0,0|1,0,0]=3 155 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,1,1,0,0,0|1,0,1]=4 156 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,1,1,0,0,0|1,0,0]=3 157 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,1,1,0,0,0|1,0,0]=3 158 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,1,1,0,0,0|2,0,0]=4 160 B6R0.3 NC[C@H](F)C(=O)O 09-619 [0,1,1,0,0,0|2,0,0]=4 161 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [0,1,1,0,0,0|2,0,0]=4 162 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [0,1,1,0,0,0|2,0,0]=4 163 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,1,1,0,0,0|2,0,0]=4 164 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,1,1,0,0,0|2,0,0]=4 165 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,1,1,0,0,0|2,0,0]=4 166 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,1,1,0,0,0|2,0,0]=4 167 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,1,1,0,0,0|2,0,0]=4 168 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,1,1,0,0,0|2,0,0]=4 169 B6R0.4 CCCCC(=O)O 025124 [0,1,1,0,0,0|1,0,0]=3 170 B6R0.4 CCCCC(=O)O 71-0509 [0,1,1,0,0,0|1,0,0]=3 171 B6R0.4 NCCCC(=O)O 020706 [0,1,1,0,0,0|1,0,0]=3 172 B6R0.4 NCCCC(=O)O 06-1637 [0,1,1,0,0,0|1,0,0]=3 173 B6R0.6 CCCCCC=O 023326S [0,1,1,0,0,0|0,0,0]=2 174 B6R0.6 CCCCCCC 05-0700 [0,1,1,0,0,0|1,0,1]=4 175 B6R0.6 CCCCCCF 26-926 [0,1,1,0,0,0|1,0,1]=4 176 B6R0.6 N#CCCCCN 08-6256 [0,1,1,0,0,0|1,0,1]=4 177 B6R0.9 CCC(CC)NN 08-9439 [0,1,1,0,0,0|1,0,1]=4 178 B6R0.9 CCN(CC)CC 26-1823 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.9 CC[O+](CC)CC 26-1824 [0,1,1,0,0,0|2,0,0]=4 180 B6R1.4 C[C@H]1COC1=O 08-7564 [0,1,0,0,1,0|1,0,0]=3 181 B6R1.5 CN1CC(N)C1 08-5360 [0,1,0,0,1,0|2,0,0]=4 182 B6R1.5 CN1CC(O)C1 08-5286 [0,1,0,0,1,0|2,0,0]=4 183 B6R1.5 NC1CC(=O)C1 08-4619 [0,1,0,0,1,0|0,0,0]=2 184 B6R1.5 NC1CC(F)C1 024048 [0,1,0,0,1,0|1,0,1]=4 185 B6R1.5 NC1CC(F)C1 08-5244 [0,1,0,0,1,0|1,0,1]=4 186 B6R1.5 NC1CC(O)C1 08-4590 [0,1,0,0,1,0|0,0,2]=4 187 B6R1.5 N[C@H]1C[C@@H](O)C1 08-4629 [0,1,0,0,1,0|0,0,2]=4 188 B6R1.5 O=C1CC(Br)C1 08-6789 [0,1,0,0,1,0|0,0,0]=2 189 B6R1.6 NCC1CCC1 08-5019 [0,1,0,0,1,0|1,0,1]=4 190 B6R1.6 NCC1CCC1 08-5062 [0,1,0,0,1,0|1,0,1]=4 191 B6R1.6 NNC1CCC1 08-9700 [0,1,0,0,1,0|1,0,1]=4 192 B6R1.10 O=S1(=O)CCC1 08-5712 [0,1,0,0,1,0|1,0,0]=3 193 B8R1.2 BrCC1CCNCC1 08-4872 [0,1,0,0,0,1|1,0,1]=4 194 B8R1.2 BrCC1CCOCC1 08-1740 [0,1,0,0,0,1|1,0,1]=4 195 B8R1.2 BrCC1CCSCC1 08-9275 [0,1,0,0,0,1|1,0,1]=4 196 B8R1.2 BrC[C@H]1CCCOC1 08-6793 [0,1,0,0,0,1|1,0,1]=4 197 B8R1.2 C#CC1CCOCC1 08-5196 [0,1,0,0,0,1|1,0,1]=4 198 B8R1.2 COC1=CCOCC1 08-4018 [0,1,0,0,0,1|0,0,2]=4 199 B8R1.2 COC1CCNCC1 021332S [0,1,0,0,0,1|0,0,2]=4 200 B8R1.2 COC1CCNCC1 08-5414 [0,1,0,0,0,1|0,0,2]=4 201 B8R1.2 CO[C@H]1CCCNC1 08-5475 [0,1,0,0,0,1|0,0,2]=4 202 B8R1.2 FCC1CCNCC1 08-5267 [0,1,0,0,0,1|1,0,1]=4 203 B8R1.2 FC[C@H]1CCCCN1 08-5270 [0,1,0,0,0,1|1,0,1]=4 204 B8R1.2 N#CC1CCOCC1 08-6141 [0,1,0,0,0,1|1,0,1]=4 205 B8R1.2 N#CC1CCSCC1 08-6146 [0,1,0,0,0,1|1,0,1]=4 206 B8R1.2 N#C[C@H]1CCCNC1 08-6904 [0,1,0,0,0,1|1,0,1]=4 207 B8R1.2 NCC1CCOCC1 08-5694 [0,1,0,0,0,1|1,0,1]=4 208 B8R1.2 NCC1CCSCC1 08-6149 [0,1,0,0,0,1|1,0,1]=4 209 B8R1.2 NNC1CCNCC1 08-10496 [0,1,0,0,0,1|1,0,1]=4 210 B8R1.2 NNC1CCNCC1 08-9626 [0,1,0,0,0,1|1,0,1]=4 211 B8R1.2 NNC1CCOCC1 08-6143 [0,1,0,0,0,1|1,0,1]=4 212 B8R1.2 NNC1CCSCC1 08-10322 [0,1,0,0,0,1|1,0,1]=4 213 B8R1.2 NN[C@H]1CCCNC1 08-10495 [0,1,0,0,0,1|1,0,1]=4 214 B8R1.2 NN[C@H]1CCCNC1 08-9588 [0,1,0,0,0,1|1,0,1]=4 215 B8R1.2 O=CC1CCOCC1 08-1315 [0,1,0,0,0,1|0,0,1]=3 216 B8R1.2 OCC1CCNCC1 08-5594 [0,1,0,0,0,1|0,0,2]=4 217 B8R1.2 OCC1CCOCC1 08-6144 [0,1,0,0,0,1|0,0,2]=4 218 B8R1.2 OCC1CCSCC1 08-6150 [0,1,0,0,0,1|0,0,2]=4 219 B8R1.2 OC[C@H]1CCCCN1 021315 [0,1,0,0,0,1|0,0,2]=4 220 B8R1.2 OC[C@H]1CCCNC1 08-5593 [0,1,0,0,0,1|0,0,2]=4 221 B8R1.2 ON=C1CCSCC1 08-5717 [0,1,0,0,0,1|0,0,1]=3 222 B8R1.3 CN1CCC(N)CC1 08-6319 [0,1,0,0,0,1|1,0,1]=4 223 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,1,0,0,0,1|0,0,0]=2 224 B8R1.3 N[C@H]1CC[C@H](N)CC1 06-1376 [0,1,0,0,0,1|1,0,1]=4 225 B8R1.4 CN1CCC[C@H](N)C1 020943 [0,1,0,0,0,1|1,0,1]=4 226 B8R1.4 CN1CCC[C@H](N)C1 020944S [0,1,0,0,0,1|1,0,1]=4 227 B8R1.4 CN1CCC[C@H](N)C1 08-4585 [0,1,0,0,0,1|1,0,1]=4 228 B8R1.4 CN1CCC[C@H](N)C1 26-2723 [0,1,0,0,0,1|1,0,1]=4 229 B8R1.4 CN1CCC[C@H](O)C1 020119S [0,1,0,0,0,1|0,0,2]=4 230 B8R1.4 CN1CCC[C@H](O)C1 020973S [0,1,0,0,0,1|0,0,2]=4 231 B8R1.4 CN1CCC[C@H](O)C1 08-5296 [0,1,0,0,0,1|0,0,2]=4 232 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,1,0,0,0,1|0,0,0]=2 233 B8R1.4 C[C@H]1C[C@@H](O)CCN1 08-7714 [0,1,0,0,0,1|0,0,2]=4 234 B8R1.4 C[C@H]1C[C@@H](O)CCN1 26-1164 [0,1,0,0,0,1|0,0,2]=4 235 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,1,0,0,0,1|0,0,1]=3 236 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [0,1,0,0,0,1|0,0,0]=2 237 B8R1.4 O=C1CCNC(=O)C1 08-7934 [0,1,0,0,0,1|0,0,1]=3 238 B8R1.4 O=C1COCC(=O)C1 08-7935 [0,1,0,0,0,1|0,0,1]=3 239 B8R1.4 O=C1COCC(=O)O1 19-1401 [0,1,0,0,0,1|1,0,1]=4 240 B8R1.5 CN1CCNCC1=O 08-7559 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.5 FC1CCCCC1Br 26-274 [0,1,0,0,0,1|1,0,1]=4 242 B8R1.5 NC1COCCC1O 08-6364 [0,1,0,0,0,1|0,0,2]=4 243 B8R1.5 N[C@@H]1CCOC[C@@H]1O 20-2215 [0,1,0,0,0,1|0,0,2]=4 244 B8R1.5 O=C1CCCC=C1Br 08-1639 [0,1,0,0,0,1|0,0,1]=3 245 B8R1.5 O=C1CCOC[C@@H]1Br 08-6716 [0,1,0,0,0,1|0,0,0]=2 246 B8R1.5 O=C1CCOC[C@@H]1F 08-3979 [0,1,0,0,0,1|0,0,0]=2 247 B8R1.72 CC1(C)CCNCC1 08-5113 [0,1,0,0,0,1|1,0,1]=4 248 B8R1.72 CC1(O)CCNCC1 08-5363 [0,1,0,0,0,1|0,0,2]=4 249 B8R1.72 CC1(O)CCNCC1 20-2105 [0,1,0,0,0,1|0,0,2]=4 250 B8R1.72 C[C@]1(O)CCCNC1 08-5466 [0,1,0,0,0,1|0,0,2]=4 251 B8R1.72 FC1(F)CCCNC1 08-7180 [0,1,0,0,0,1|1,0,1]=4 252 B8R1.72 FC1(F)CCNCC1 26-4709 [0,1,0,0,0,1|1,0,1]=4 253 B8R1.72 O=S1(=O)CCNCC1 08-10119 [0,1,0,0,0,1|1,0,0]=3 254 B8R1.72 O=S1(=O)CCNCC1 08-8025 [0,1,0,0,0,1|1,0,0]=3 255 B8R1.1 CN1CC[C@H](CO)C1 020330 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.1 CN1CC[C@H](CO)C1 08-7428 [0,2,0,0,0,0|2,0,0]=4 257 B8R1.1 CN[C@H]1CCN(C)C1 08-5146 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.1 O=C1CC[C@H](CO)N1 020980S [0,2,0,0,0,0|1,0,0]=3 259 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.7 CC(=O)[C@H]1CCNC1 08-10165 [0,2,0,0,0,0|1,0,1]=4 261 B8R1.7 NC(=O)[C@@H]1CCCN1 04-2362 [0,2,0,0,0,0|1,0,1]=4 262 B8R1.7 NC(=O)[C@@H]1CCCN1 24-1863 [0,2,0,0,0,0|1,0,1]=4 263 B8R1.7 NC(=O)[C@H]1CCNC1 021340S [0,2,0,0,0,0|1,0,1]=4 264 B8R1.7 NC(=O)[C@H]1CCNC1 08-5570 [0,2,0,0,0,0|1,0,1]=4 265 B8R1.7 NC(=O)[C@H]1CCNC1 20-2113 [0,2,0,0,0,0|1,0,1]=4 266 B8R1.7 NC(=O)[C@H]1CCNC1 20-2210 [0,2,0,0,0,0|1,0,1]=4 267 B8R1.7 NC(=O)[C@H]1CCNC1 26-2701 [0,2,0,0,0,0|1,0,1]=4 268 B8R1.7 O=C(O)C1=COCC1 08-7224 [0,2,0,0,0,0|1,0,1]=4 269 B8R1.7 O=C(O)[C@@H]1CCCN1 020707 [0,2,0,0,0,0|1,0,1]=4 270 B8R1.7 O=C(O)[C@@H]1CCCN1 025642 [0,2,0,0,0,0|1,0,1]=4 271 B8R1.7 O=C(O)[C@@H]1CCCN1 BIO-410 [0,2,0,0,0,0|1,0,1]=4 272 B8R1.7 O=C(O)[C@H]1CCNC1 020984 [0,2,0,0,0,0|1,0,1]=4 273 B8R1.7 O=C(O)[C@H]1CCOC1 08-5648 [0,2,0,0,0,0|1,0,1]=4 274 B8R1.7 OB(O)C1CCCC1 08-210 [0,2,0,0,0,0|0,0,2]=4 275 B8R1.11 CN1CCC[C@@H]1CN 020403 [0,2,0,0,0,0|2,0,0]=4 276 B8R1.11 CN1CCC[C@@H]1CN 08-5387 [0,2,0,0,0,0|2,0,0]=4 277 B8R1.52 NCC1(O)CCCC1 08-4643 [0,2,0,0,0,0|0,0,2]=4 278 B8R1.50 O=C1CCC(=O)N1O 04-1830 [0,2,0,0,0,0|1,0,1]=4 279 B8R1.51 CC1(C)COC(=O)N1 08-5111 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.51 N[C@H]1CCC(F)(F)C1 08-7204 [0,2,0,0,0,0|1,0,1]=4 281 B6R1.11 N=C(N)C1CC1 08-6889 [0,0,1,1,0,0|2,0,0]=4 282 B6R1.1 C1=CCNCC1 08-5660 [0,0,1,1,0,0|2,0,0]=4 283 B8R2.23 C1NCC2CC1C2 08-6216 [0,0,0,1,0,1|1,0,1]=4 284 B8R2.34 C1CC2CCC1N2 08-4624 [0,0,0,1,0,1|1,0,1]=4 285 B8R2.34 C1CC2CCC1N2 20-2033 [0,0,0,1,0,1|1,0,1]=4 286 B8R1.22 CN1CCCNCC1 08-5496 [0,0,0,0,0,2|2,0,0]=4 287 B8R1.22 O=C1CCCCCO1 19-1299 [0,0,0,0,0,2|0,0,0]=2 288 B8R1.22 O=C1CCSCCN1 08-5724 [0,0,0,0,0,2|0,0,0]=2