0 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 CC1=CC=CS1 AMY23234 [0,0,0,0,0,0|1,0,3]=4 10 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 CC1=NC=CS1 AM20090566 [0,0,0,0,0,0|1,0,3]=4 12 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 CC1=NCCS1 AMY23228 [0,0,0,0,0,0|1,0,1]=2 14 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,0,0,0|1,1,0]=2 23 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,0,0,0|4,0,0]=4 43 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 NC1=NCCS1 AMY202003298 [0,0,0,0,0,0|2,0,1]=3 49 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,0,0,0|3,0,0]=3 50 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,0,0,0|4,0,0]=4 56 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,0,0,0|4,0,0]=4 57 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,0,0,0|4,0,0]=4 58 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,0,0,0|4,0,0]=4 59 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,0,0,0|3,0,1]=4 60 B6R1.2 O=C1CCCN1 AMY25506 [0,0,0,0,0,0|3,0,1]=4 61 B6R1.2 O=C1NCCN1 AM20080146 [0,0,0,0,0,0|3,0,1]=4 62 B6R1.2 O=C1NCCO1 AMY39498 [0,0,0,0,0,0|2,1,1]=4 63 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,0,0,0|3,0,0]=3 64 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,0,0,0|2,1,0]=3 65 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,0,0,0|3,1,0]=4 66 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,0,0,0|4,0,0]=4 67 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,0,0,0|4,0,0]=4 68 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,0,0,0|4,0,0]=4 69 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,0,0,0|3,1,0]=4 72 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,0,0,0|4,0,0]=4 73 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,0,0,0|4,0,0]=4 75 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 SC1=NCCS1 AMY23225 [0,0,0,0,0,0|2,0,1]=3 77 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,0,0,0|4,0,0]=4 78 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,0,0,0|2,0,1]=4 79 B5R1.1 C1=CCNC1 AM9928 [1,0,0,0,0,0|2,0,1]=4 80 B5R1.1 C1=CCOC1 AM81814 [1,0,0,0,0,0|1,1,1]=4 81 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,0,0,0|2,0,1]=4 82 B5R1.1 C1CCNC1 AMY10044 [1,0,0,0,0,0|2,0,0]=3 83 B5R1.1 C1CCOC1 AMY11079 [1,0,0,0,0,0|1,1,0]=3 84 B5R1.1 C1CCOC1 AMY14809 [1,0,0,0,0,0|1,1,0]=3 85 B5R1.1 C1CCOC1 AMY14877 [1,0,0,0,0,0|1,1,0]=3 86 B5R1.1 C1CNNC1 AMY28694 [1,0,0,0,0,0|3,0,0]=4 87 B5R1.1 C1CNOC1 AM803837 [1,0,0,0,0,0|2,1,0]=4 88 B5R1.1 C1COCN1 AMY42397 [1,0,0,0,0,0|1,1,0]=3 89 B5R1.1 C1CSCN1 AMY40189 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 BrCC1OCCO1 AMY39416 [0,1,0,0,0,0|0,2,0]=3 92 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,0,0,0|1,1,0]=3 96 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 CCC1=NCCO1 AM84318 [0,1,0,0,0,0|1,1,1]=4 100 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,1,0,0,0,0|3,0,0]=4 107 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,0,0,0|3,0,0]=4 111 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.1 COC1=NCCN1 AMY792 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.1 CSC1=NCCS1 AM832 [0,1,0,0,0,0|1,0,1]=3 119 B7R1.1 CSC1=NCCS1 AMY22060 [0,1,0,0,0,0|1,0,1]=3 120 B7R1.1 ClCC1=NCCN1 AMY745 [0,1,0,0,0,0|2,0,1]=4 121 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,1,0,0,0,0|2,0,1]=4 135 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,1,0,0,0,0|2,0,1]=4 136 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [0,1,0,0,0,0|1,0,1]=3 137 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,0,0,0|1,1,0]=3 142 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,0,0,0|1,1,0]=3 143 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,0,0,0|2,0,1]=4 150 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,0,0,0|2,0,1]=4 152 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,0,0,0|2,0,1]=4 153 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,0,0,0|1,1,1]=4 154 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 OCC1OCCO1 AMY35660 [0,1,0,0,0,0|0,2,0]=3 156 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,0,0,0|1,1,0]=3 157 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,0,0,0|1,1,0]=3 161 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,0,0,0|1,1,0]=3 162 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,0,0,0|3,0,0]=4 170 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,1,0,0,0,0|3,0,0]=4 177 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,0,0,0|2,0,1]=4 187 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,0,0,0|2,0,1]=4 190 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,0,0,0|2,0,1]=4 191 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,0,0,0|3,0,0]=4 199 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,0,0,0|3,0,0]=4 200 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,0,0,0|3,0,0]=4 201 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,0,0,0|3,0,0]=4 202 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,0,0,0|3,0,0]=4 204 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.4 CC1CNCC1O AM806548 [0,1,0,0,0,0|3,0,0]=4 207 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.4 CN1CCSC1=S AM84657 [0,1,0,0,0,0|2,0,1]=4 209 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,0,0,0|1,0,0]=2 210 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,0,0,0|3,0,0]=4 216 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,0,0,0|3,0,0]=4 217 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,0,0,0|3,0,0]=4 218 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,0,0,0|3,0,0]=4 219 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,0,0,0|2,0,1]=4 220 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,0,0,0|3,0,0]=4 222 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.14 CC1(C)CCNC1 AM20090533 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.14 CC1(C)CCNC1 AMY33663 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,0,0,0|1,1,0]=3 227 B7R1.14 CC1(C)NCCS1 AMY2745 [0,1,0,0,0,0|1,0,0]=2 228 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,0,0,0|2,0,0]=3 229 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,0,0,0|2,0,0]=3 230 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,0,0,0|3,0,0]=4 231 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [0,1,0,0,0,0|3,0,0]=4 232 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,0,0,0|3,0,0]=4 233 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,0,0,0|3,0,0]=4 234 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,0,0,0|3,0,0]=4 235 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,1,0,0,0,0|2,1,0]=4 236 B7R1.14 FC1(F)CCCC1 AMY5924 [0,1,0,0,0,0|3,0,0]=4 237 B5R0.1 CC(C)OCCl AMY23885 [0,0,1,0,0,0|2,1,0]=4 238 B5R0.1 CCCC(C)=O AMY25524 [0,0,1,0,0,0|1,1,1]=4 239 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,1,0,0,0|2,0,0]=3 240 B5R0.1 CCNC(C)C AMY13342 [0,0,1,0,0,0|2,0,0]=3 241 B5R0.1 CCOC(C)=N AM90190 [0,0,1,0,0,0|1,1,1]=4 242 B5R0.1 CCSC(C)=S AM90236 [0,0,1,0,0,0|0,0,2]=3 243 B5R0.1 COC[C@@H](C)N AMY19545 [0,0,1,0,0,0|3,0,0]=4 244 B5R0.1 COC[C@H](C)O AM20100219 [0,0,1,0,0,0|2,1,0]=4 245 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,1,0,0,0|2,1,0]=4 246 B5R0.1 C[C@H](N)CCO AM84886 [0,0,1,0,0,0|3,0,0]=4 247 B5R0.1 C[C@H](N)CCO AM9719 [0,0,1,0,0,0|3,0,0]=4 248 B5R0.1 C[C@H](N)CCO AMY409 [0,0,1,0,0,0|3,0,0]=4 249 B5R0.2 BrCCCCBr AM20080049 [0,0,1,0,0,0|3,0,0]=4 250 B5R0.2 C#CCCCC AMY1242 [0,0,1,0,0,0|2,0,1]=4 251 B5R0.2 CCC#CCO AMY1239 [0,0,1,0,0,0|1,1,1]=4 252 B5R0.2 CCCCCBr AMY9378 [0,0,1,0,0,0|2,0,0]=3 253 B5R0.2 CCCCCC AMY22305 [0,0,1,0,0,0|2,0,0]=3 254 B5R0.2 CCCCCN AMY21878 [0,0,1,0,0,0|2,0,0]=3 255 B5R0.2 CCCCCS AMY19243 [0,0,1,0,0,0|1,0,0]=2 256 B5R0.2 CCCCNN AMY202003284 [0,0,1,0,0,0|3,0,0]=4 257 B5R0.2 CCCNCC AMY13343 [0,0,1,0,0,0|2,0,0]=3 258 B5R0.2 CNCCCN AM20100546 [0,0,1,0,0,0|3,0,0]=4 259 B5R0.2 COCCCBr AM20090592 [0,0,1,0,0,0|3,0,0]=4 260 B5R0.2 COCCCCl AMY25654 [0,0,1,0,0,0|3,0,0]=4 261 B5R0.2 COCCCN AMY21871 [0,0,1,0,0,0|3,0,0]=4 262 B5R0.2 COCCCN AMY38449 [0,0,1,0,0,0|3,0,0]=4 263 B5R0.2 COCCCO AM20080231 [0,0,1,0,0,0|2,1,0]=4 264 B5R0.2 CSCCCCl AMY744 [0,0,1,0,0,0|3,0,0]=4 265 B5R0.2 ClCCCCI AMY2538 [0,0,1,0,0,0|3,0,0]=4 266 B5R0.2 ClCCOCCl AMY38249 [0,0,1,0,0,0|2,1,0]=4 267 B5R0.2 NCCCCCl AMY15236 [0,0,1,0,0,0|3,0,0]=4 268 B5R0.2 NCCCCN AM20090504 [0,0,1,0,0,0|3,0,0]=4 269 B5R0.2 NCCCCO AMY17788 [0,0,1,0,0,0|2,1,0]=4 270 B5R0.3 CCC(N)CC AMY4054 [0,0,1,0,0,0|3,0,0]=4 271 B5R0.3 CCN(C)CC AMY13336 [0,0,1,0,0,0|3,0,0]=4 272 B5R0.3 CC[C@H](C)CBr AMY28688 [0,0,1,0,0,0|3,0,0]=4 273 B5R0.3 CC[C@H](C)NN AM803011 [0,0,1,0,0,0|3,0,0]=4 274 B5R0.3 CC[C@H](C)NN AM9772 [0,0,1,0,0,0|3,0,0]=4 275 B5R0.3 CO[C@@H](C)CN AMY21775 [0,0,1,0,0,0|2,1,0]=4 276 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,1,0,0|2,0,0]=3 277 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,1,0,0|2,0,0]=3 278 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,1,0,0|2,0,0]=3 279 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,1,0,0|3,0,0]=4 280 B7R2.13 C1NCC2CC12 AM803636 [0,0,0,1,0,0|3,0,0]=4 281 B7R2.13 C1NCC2CC12 AMY5587 [0,0,0,1,0,0|3,0,0]=4 282 B5R1.2 BrC1CCC1 AM803913 [0,0,0,0,1,0|2,0,0]=3 283 B5R1.2 BrC1CNC1 AMY34832 [0,0,0,0,1,0|3,0,0]=4 284 B5R1.2 BrC1COC1 AM20020035 [0,0,0,0,1,0|3,0,0]=4 285 B5R1.2 CC1CNC1 AM20120351 [0,0,0,0,1,0|2,0,0]=3 286 B5R1.2 C[C@H]1CCN1 AM806564 [0,0,0,0,1,0|1,0,0]=2 287 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,0,1,0|2,0,0]=3 288 B5R1.2 ClC1CNC1 AMY33719 [0,0,0,0,1,0|3,0,0]=4 289 B5R1.2 ClC1COC1 AMY34839 [0,0,0,0,1,0|3,0,0]=4 290 B5R1.2 FC1CNC1 AM20100512 [0,0,0,0,1,0|3,0,0]=4 291 B5R1.2 FC1CNC1 AMY12200 [0,0,0,0,1,0|3,0,0]=4 292 B5R1.2 FC1COC1 AM20020027 [0,0,0,0,1,0|3,0,0]=4 293 B5R1.2 IC1CCC1 AMY6180 [0,0,0,0,1,0|2,0,0]=3 294 B5R1.2 IC1COC1 AM20020026 [0,0,0,0,1,0|3,0,0]=4 295 B5R1.2 NC1CCC1 AMY2668 [0,0,0,0,1,0|2,0,0]=3 296 B5R1.2 NC1CCC1 AMY6177 [0,0,0,0,1,0|2,0,0]=3 297 B5R1.2 NC1CNC1 AMY6172 [0,0,0,0,1,0|3,0,0]=4 298 B5R1.2 NC1COC1 AM20020021 [0,0,0,0,1,0|3,0,0]=4 299 B5R1.2 NC1COC1 AM85383 [0,0,0,0,1,0|3,0,0]=4 300 B5R1.2 NC1CSC1 AM20120367 [0,0,0,0,1,0|3,0,0]=4 301 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,0,1,0|1,1,0]=3 302 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,0,1,0|2,0,1]=4 303 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,0,1,0|2,0,1]=4 304 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,0,1,0|1,1,1]=4 305 B5R1.2 OC1CCC1 AM803645 [0,0,0,0,1,0|2,0,0]=3 306 B5R1.2 OC1CNC1 AM20100158 [0,0,0,0,1,0|3,0,0]=4 307 B5R1.2 OC1COC1 AM20020046 [0,0,0,0,1,0|3,0,0]=4 308 B5R1.2 OC1CSC1 AMY35636 [0,0,0,0,1,0|3,0,0]=4 309 B5R1.2 SC1COC1 AMY33758 [0,0,0,0,1,0|3,0,0]=4 310 B7R1.3 BrC1CCNCC1 AM101554 [0,0,0,0,0,1|3,0,0]=4 311 B7R1.3 BrC1CCNCC1 AM20100339 [0,0,0,0,0,1|3,0,0]=4 312 B7R1.3 BrC1CCNCC1 AM90402 [0,0,0,0,0,1|3,0,0]=4 313 B7R1.3 BrC1CCOCC1 AM90079 [0,0,0,0,0,1|3,0,0]=4 314 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,0,0,1|3,0,0]=4 315 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,0,0,1|3,0,0]=4 316 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,0,0,1|3,0,0]=4 317 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,0,0,1|2,1,0]=4 318 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,0,0,1|2,0,1]=4 319 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,0,0,1|2,0,1]=4 320 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,0,0,1|1,1,1]=4 321 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,0,0,1|2,0,0]=3 322 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,0,0,1|2,0,0]=3 323 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,0,0,1|0,0,0]=1 324 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,0,0,1|3,0,0]=4 325 B7R1.3 CN1CCNCC1 AM81360 [0,0,0,0,0,1|3,0,0]=4 326 B7R1.3 CN1CCOCC1 AMY14818 [0,0,0,0,0,1|3,0,0]=4 327 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,0,0,1|1,1,0]=3 328 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,0,0,1|1,1,0]=3 329 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,0,0,1|1,1,0]=3 330 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,0,0,1|2,0,0]=3 331 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,0,0,1|2,0,0]=3 332 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,0,0,1|2,0,0]=3 333 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,0,0,1|2,0,0]=3 334 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,0,0,1|2,0,0]=3 335 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,0,0,1|2,0,0]=3 336 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,0,0,1|2,0,0]=3 337 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,0,0,1|2,0,0]=3 338 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,0,0,1|1,1,0]=3 339 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,0,0,1|1,1,0]=3 340 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,0,0,1|1,1,0]=3 341 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,0,0,1|1,1,0]=3 342 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,0,0,1|1,1,0]=3 343 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,0,0,1|1,1,0]=3 344 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,0,0,1|1,1,0]=3 345 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,0,0,1|1,1,0]=3 346 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,0,0,1|1,1,0]=3 347 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,0,0,1|3,0,0]=4 348 B7R1.3 ClC1CCNCC1 AM100920 [0,0,0,0,0,1|3,0,0]=4 349 B7R1.3 ClC1CCNCC1 AM20100323 [0,0,0,0,0,1|3,0,0]=4 350 B7R1.3 ClC1CCOCC1 AM794 [0,0,0,0,0,1|3,0,0]=4 351 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,0,0,1|3,0,0]=4 352 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,0,0,1|3,0,0]=4 353 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,0,0,1|3,0,0]=4 354 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,0,0,1|3,0,0]=4 355 B7R1.3 FC1CCNCC1 AM20100405 [0,0,0,0,0,1|3,0,0]=4 356 B7R1.3 FC1CCOCC1 AM100580 [0,0,0,0,0,1|3,0,0]=4 357 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,0,0,1|3,0,0]=4 358 B7R1.3 IC1CCNCC1 AM101380 [0,0,0,0,0,1|3,0,0]=4 359 B7R1.3 IC1CCNCC1 AM94352 [0,0,0,0,0,1|3,0,0]=4 360 B7R1.3 IC1CCOCC1 AM20090312 [0,0,0,0,0,1|3,0,0]=4 361 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,0,0,1|3,0,0]=4 362 B7R1.3 NC1CCNCC1 AM85323 [0,0,0,0,0,1|3,0,0]=4 363 B7R1.3 NC1CCNCC1 AM85335 [0,0,0,0,0,1|3,0,0]=4 364 B7R1.3 NC1CCOCC1 AM20090495 [0,0,0,0,0,1|3,0,0]=4 365 B7R1.3 NC1CCOCC1 AM20100013 [0,0,0,0,0,1|3,0,0]=4 366 B7R1.3 NC1CCOCC1 AM669 [0,0,0,0,0,1|3,0,0]=4 367 B7R1.3 NC1CCSCC1 AMY32230 [0,0,0,0,0,1|3,0,0]=4 368 B7R1.3 NC1CCSCC1 AMY3238 [0,0,0,0,0,1|3,0,0]=4 369 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,0,0,1|3,0,0]=4 370 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,0,0,0,0,1|3,0,0]=4 371 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,0,0,1|3,0,0]=4 372 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,0,0,1|3,0,0]=4 373 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,0,0,1|3,0,0]=4 374 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,0,0,1|3,0,0]=4 375 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,0,0,1|2,1,0]=4 376 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,0,0,1|2,1,0]=4 377 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,0,0,1|2,1,0]=4 378 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,0,0,1|2,1,0]=4 379 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,0,0,1|2,1,0]=4 380 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,0,0,1|2,0,1]=4 381 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,0,0,1|2,0,1]=4 382 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,0,0,1|3,0,0]=4 383 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,0,0,1|3,0,0]=4 384 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,0,0,1|3,0,0]=4 385 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,0,0,1|3,0,0]=4 386 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,0,0,1|3,0,0]=4 387 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,0,0,1|2,1,0]=4 388 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,0,0,1|2,1,0]=4 389 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,0,0,1|3,0,0]=4 390 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,0,0,1|3,0,0]=4 391 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,0,0,1|3,0,0]=4 392 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,0,0,1|3,0,0]=4 393 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,0,0,1|3,0,0]=4 394 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,0,0,1|2,1,0]=4 395 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,0,0,1|3,0,0]=4 396 B7R1.3 SC1CCOCC1 AM100476 [0,0,0,0,0,1|3,0,0]=4 397 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,0,0,1|3,0,0]=4 398 B4R0.1 CC(C)CBr AMY25783 [1,0,1,0,0,0|2,0,0]=4 399 B4R0.1 CC(C)NN AM20090002 [1,0,1,0,0,0|2,0,0]=4 400 B4R0.1 CC(C)NN AMY202003297 [1,0,1,0,0,0|2,0,0]=4 401 B4R0.1 CC(C)ON AM90376 [1,0,1,0,0,0|1,1,0]=4 402 B4R0.1 CCC(C)[O-] AMY22246 [1,0,1,0,0,0|0,1,0]=3 403 B4R0.1 CCN(C)C AMY13339 [1,0,1,0,0,0|2,0,0]=4 404 B4R0.1 CC[C@H](C)O AMY11001 [1,0,1,0,0,0|0,1,0]=3 405 B4R0.1 CNC(C)C AMY13353 [1,0,1,0,0,0|1,0,0]=3 406 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,1,0,0,0|2,0,0]=4 407 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,1,0,0,0|2,0,0]=4 408 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,1,0,0,0|2,0,0]=4 409 B4R0.1 C[C@H](N)CN AMY3672 [1,0,1,0,0,0|2,0,0]=4 410 B4R0.1 C[C@H](N)CO AM20090557 [1,0,1,0,0,0|2,0,0]=4 411 B4R0.1 C[C@H](N)CO AM20100507 [1,0,1,0,0,0|2,0,0]=4 412 B4R0.1 C[C@H](O)CN AM20090353 [1,0,1,0,0,0|1,1,0]=4 413 B4R0.1 C[C@H](O)CN AM20100779 [1,0,1,0,0,0|1,1,0]=4 414 B4R0.1 C[C@H](O)CN AM81450 [1,0,1,0,0,0|1,1,0]=4 415 B4R0.1 [Li]CC(C)C AMY14929 [1,0,1,0,0,0|2,0,0]=4 416 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,1,0,0,0|1,0,0]=3 417 B4R0.2 BrCCCBr AMY25527 [1,0,1,0,0,0|2,0,0]=4 418 B4R0.2 CCCCN AMY21914 [1,0,1,0,0,0|1,0,0]=3 419 B4R0.2 CCCNN AM9771 [1,0,1,0,0,0|2,0,0]=4 420 B4R0.2 CCNCC AMY25752 [1,0,1,0,0,0|1,0,0]=3 421 B4R0.2 CCPCC AMY11725 [1,0,1,0,0,0|1,0,0]=3 422 B4R0.2 CNCCCl AM803928 [1,0,1,0,0,0|2,0,0]=4 423 B4R0.2 CNCCF AMY202003232 [1,0,1,0,0,0|2,0,0]=4 424 B4R0.2 CNCCO AMY32697 [1,0,1,0,0,0|1,1,0]=4 425 B4R0.2 COCCCl AMY25739 [1,0,1,0,0,0|1,1,0]=4 426 B4R0.2 COCCN AM808206 [1,0,1,0,0,0|1,1,0]=4 427 B4R0.2 CSCCCl AMY15533 [1,0,1,0,0,0|1,0,0]=3 428 B4R0.2 CSCCN AMY33509 [1,0,1,0,0,0|1,0,0]=3 429 B4R0.2 CSCCO AMY19250 [1,0,1,0,0,0|0,1,0]=3 430 B4R0.2 ClCCCBr AMY40180 [1,0,1,0,0,0|2,0,0]=4 431 B4R0.2 ClCCCCl AMY22013 [1,0,1,0,0,0|2,0,0]=4 432 B4R0.2 ClCCCI AMY25762 [1,0,1,0,0,0|2,0,0]=4 433 B4R0.2 FCCCBr AMY28674 [1,0,1,0,0,0|2,0,0]=4 434 B4R0.2 NCCCBr AM20100225 [1,0,1,0,0,0|2,0,0]=4 435 B4R0.2 NCCCN AMY21886 [1,0,1,0,0,0|2,0,0]=4 436 B4R0.2 OCCCBr AM20100533 [1,0,1,0,0,0|1,1,0]=4 437 B4R0.2 OCCCCl AMY9478 [1,0,1,0,0,0|1,1,0]=4 438 B4R0.2 OCCCF AM1014 [1,0,1,0,0,0|1,1,0]=4 439 B4R0.2 SCCCBr AM806637 [1,0,1,0,0,0|1,0,0]=3 440 B4R0.2 [Li]CCCC AMY14790 [1,0,1,0,0,0|1,0,0]=3 441 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,1,1,0,0,0|2,0,0]=4 442 B6R0.2 CC(C)NC(C)C AMY8971 [0,1,1,0,0,0|2,0,0]=4 443 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,1,1,0,0,0|2,0,0]=4 444 B6R0.4 CC(C)CCCO AMY39142 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.4 CC(C)NCCCl AMY31121 [0,1,1,0,0,0|2,0,0]=4 446 B6R0.4 CC(C)OCCBr AM80879 [0,1,1,0,0,0|1,1,0]=4 447 B6R0.4 CNCCC(C)C AMY37348 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.4 CNCCC(C)C AMY37370 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.6 BrCCCCCBr AMY11214 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.6 CCCCCCC AMY22304 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.6 CCCCCCN AMY21942 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.6 CCCCNCC AMY3985 [0,1,1,0,0,0|2,0,0]=4 454 B6R0.6 CCOCCC#N AMY40959 [0,1,1,0,0,0|1,1,0]=4 455 B6R0.6 CCOCCCN AMY21920 [0,1,1,0,0,0|1,1,0]=4 456 B6R0.6 CCOCCCO AM20080058 [0,1,1,0,0,0|0,2,0]=4 457 B6R0.6 CCOCOCC AMY25683 [0,1,1,0,0,0|1,1,0]=4 458 B6R0.6 COCCCCBr AMY9376 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.6 COCCCCO AM20080057 [0,1,1,0,0,0|1,1,0]=4 460 B6R0.6 ClCCNCCCl AM20100797 [0,1,1,0,0,0|2,0,0]=4 461 B6R0.6 ClCCOCCCl AMY9389 [0,1,1,0,0,0|1,1,0]=4 462 B6R0.6 FCCCCCBr AM20100088 [0,1,1,0,0,0|2,0,0]=4 463 B6R0.6 NCCCCCN AM61576 [0,1,1,0,0,0|2,0,0]=4 464 B6R0.6 NCCNCCCl AMY10888 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.6 NCCOCCN AMY7556 [0,1,1,0,0,0|1,1,0]=4 466 B6R0.6 NCCOCCO AMY18064 [0,1,1,0,0,0|0,2,0]=4 467 B6R0.6 OCCCCCBr AM20090543 [0,1,1,0,0,0|1,1,0]=4 468 B6R0.6 OCCOCCBr AMY4498 [0,1,1,0,0,0|0,2,0]=4 469 B6R0.6 OCCOCCCl AMY9387 [0,1,1,0,0,0|0,2,0]=4 470 B6R0.9 COC(CCl)OC AMY3314 [0,1,1,0,0,0|0,2,0]=4 471 B6R0.9 COC(OC)OC AMY41181 [0,1,1,0,0,0|0,2,0]=4 472 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,0,1,0|1,0,1]=4 473 B6R1.5 CN1CC(N)C1 AMY4272 [0,1,0,0,1,0|2,0,0]=4 474 B6R1.5 CN1CC(O)C1 AM802928 [0,1,0,0,1,0|2,0,0]=4 475 B6R1.5 CN1CC(O)C1 AMY9067 [0,1,0,0,1,0|2,0,0]=4 476 B6R1.5 NC1CC(F)C1 AMY6159 [0,1,0,0,1,0|2,0,0]=4 477 B6R1.5 NC1CC(N)C1 AM85963 [0,1,0,0,1,0|2,0,0]=4 478 B6R1.5 NC1CC(O)C1 AM20070560 [0,1,0,0,1,0|2,0,0]=4 479 B6R1.5 NC1CC(O)C1 AM20070615 [0,1,0,0,1,0|2,0,0]=4 480 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,1,0,0,1,0|2,0,0]=4 481 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,1,0,0,1,0|2,0,0]=4 482 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,1,0,0,1,0|2,0,0]=4 483 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,1,0,0,1,0|2,0,0]=4 484 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,1,0,0,1,0|2,0,0]=4 485 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,1,0,0,1,0|2,0,0]=4 486 B6R1.5 OC1CC(F)C1 AMY33730 [0,1,0,0,1,0|2,0,0]=4 487 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,1,0,0,1,0|2,0,0]=4 488 B6R1.6 BrCC1CCC1 AM20070598 [0,1,0,0,1,0|1,0,0]=3 489 B6R1.6 BrCC1COC1 AM807116 [0,1,0,0,1,0|2,0,0]=4 490 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,1,0,0,1,0|0,1,0]=3 491 B6R1.6 CNC1CNC1 AM20090279 [0,1,0,0,1,0|2,0,0]=4 492 B6R1.6 CNC1CNC1 AMY34231 [0,1,0,0,1,0|2,0,0]=4 493 B6R1.6 CNC1COC1 AM20020057 [0,1,0,0,1,0|2,0,0]=4 494 B6R1.6 CNC1COC1 AMY5742 [0,1,0,0,1,0|2,0,0]=4 495 B6R1.6 COC1CNC1 AM20080370 [0,1,0,0,1,0|2,0,0]=4 496 B6R1.6 COC1CNC1 AMY33741 [0,1,0,0,1,0|2,0,0]=4 497 B6R1.6 CSC1CNC1 AM20080315 [0,1,0,0,1,0|2,0,0]=4 498 B6R1.6 ClCC1CCC1 AMY31015 [0,1,0,0,1,0|1,0,0]=3 499 B6R1.6 ClCC1COC1 AM807016 [0,1,0,0,1,0|2,0,0]=4 500 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,0,1,0|0,1,0]=3 501 B6R1.6 ICC1CCC1 AMY34464 [0,1,0,0,1,0|1,0,0]=3 502 B6R1.6 ICC1COC1 AM807382 [0,1,0,0,1,0|2,0,0]=4 503 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,1,0,0,1,0|0,1,0]=3 504 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,0,1,0|1,0,1]=4 505 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,1,0,0,1,0|1,0,1]=4 506 B6R1.6 NCC1CCC1 AM20070613 [0,1,0,0,1,0|1,0,0]=3 507 B6R1.6 NCC1COC1 AM20020041 [0,1,0,0,1,0|2,0,0]=4 508 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,1,0,0,1,0|1,0,0]=3 509 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,1,0,0,1,0|0,1,0]=3 510 B6R1.6 NNC1CCC1 AM9769 [0,1,0,0,1,0|2,0,0]=4 511 B6R1.6 NNC1CCC1 AM9783 [0,1,0,0,1,0|2,0,0]=4 512 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,0,1,0|1,0,1]=4 513 B6R1.6 OCC1CCC1 AM90211 [0,1,0,0,1,0|1,0,0]=3 514 B6R1.6 OCC1CNC1 AM20120333 [0,1,0,0,1,0|2,0,0]=4 515 B6R1.6 OCC1CNC1 AMY6173 [0,1,0,0,1,0|2,0,0]=4 516 B6R1.6 OCC1COC1 AM806983 [0,1,0,0,1,0|2,0,0]=4 517 B6R1.6 OC[C@H]1CCO1 AM807004 [0,1,0,0,1,0|0,1,0]=3 518 B6R1.10 CC1(C)CNC1 AMY14184 [0,1,0,0,1,0|2,0,0]=4 519 B6R1.10 CC1(C)COC1 AM20020043 [0,1,0,0,1,0|2,0,0]=4 520 B6R1.10 CC1(N)CCC1 AM808140 [0,1,0,0,1,0|1,0,0]=3 521 B6R1.10 CC1(N)CCC1 AMY1785 [0,1,0,0,1,0|1,0,0]=3 522 B6R1.10 CC1(N)COC1 AM20020051 [0,1,0,0,1,0|2,0,0]=4 523 B6R1.10 CC1(O)CNC1 AM81138 [0,1,0,0,1,0|2,0,0]=4 524 B6R1.10 CC1(O)COC1 AMY33735 [0,1,0,0,1,0|2,0,0]=4 525 B8R1.2 BrCC1CCCCC1 AM83288 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.2 BrCC1CCNCC1 AM101156 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.2 BrCC1CCNCC1 AM90776 [0,1,0,0,0,1|2,0,0]=4 528 B8R1.2 BrCC1CCNCC1 AMY20339 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.2 BrCC1CCOCC1 AM20080196 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,1,0,0,0,1|1,1,0]=4 535 B8R1.2 BrC[C@H]1CNCCN1 AM81377 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.2 CCC1CCNCC1 AM803694 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,0,0,1|1,1,0]=4 538 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,1,0,0,0,1|1,1,0]=4 539 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,1,0,0,0,1|1,1,0]=4 540 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,0,0,1|1,1,0]=4 542 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,0,0,1|1,1,0]=4 543 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,1,0,0,0,1|1,1,0]=4 544 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,1,0,0,0,1|1,1,0]=4 545 B8R1.2 CNC1CCCCC1 AM802809 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.2 CNC1CCNCC1 AM20100166 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.2 CNC1CCNCC1 AM98000 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.2 CNC1CCNCC1 AMY3391 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.2 CNC1CCOCC1 AM20090215 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.2 COC1CCNCC1 AM20100080 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.2 COC1CCNCC1 AM9912 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,1,0,0,0,1|2,0,0]=4 560 B8R1.2 CSC1CCNCC1 AM20090171 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.2 ClCC1CCNCC1 AM100418 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.2 ClCC1CCNCC1 AM100986 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.2 ClCC1OCCCO1 AM81012 [0,1,0,0,0,1|0,2,0]=4 564 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,1,0,0,0,1|1,1,0]=4 565 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,1,0,0,0,1|1,1,0]=4 570 B8R1.2 ICC1CCNCC1 AM100873 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.2 ICC1CCNCC1 AM94101 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.2 ICC1CCOCC1 AM20070671 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.2 NCC1CCCCC1 AM803690 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.2 NCC1CCNCC1 AMY3390 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.2 NCC1CCOCC1 AM20080212 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.2 NCC1CCOCC1 AM803826 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.2 NCC1CCSCC1 AMY35633 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,0,0,1|1,1,0]=4 583 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,1,0,0,0,1|1,1,0]=4 585 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,1,0,0,0,1|1,1,0]=4 586 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,1,0,0,0,1|0,2,0]=4 587 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.2 OCC1CCNCC1 AM20100583 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.2 OCC1CCOCC1 AM20080366 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.2 OCC1CCSCC1 AMY3090 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,1,0,0,0,1|1,1,0]=4 592 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,1,0,0,0,1|1,1,0]=4 593 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,1,0,0,0,1|1,1,0]=4 594 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,1,0,0,0,1|1,1,0]=4 595 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,0,0,1|1,1,0]=4 597 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,0,0,1|1,1,0]=4 599 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,1,0,0,0,1|1,1,0]=4 602 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,1,0,0,0,1|1,1,0]=4 603 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,1,0,0,0,1|1,1,0]=4 604 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,1,0,0,0,1|1,1,0]=4 605 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,1,0,0,0,1|1,1,0]=4 606 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,1,0,0,0,1|1,1,0]=4 607 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,1,0,0,0,1|1,1,0]=4 608 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,1,0,0,0,1|1,1,0]=4 609 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,1,0,0,0,1|0,2,0]=4 610 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.3 CC1CCC(N)CC1 AM804167 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.3 CC1CNC(C)CN1 AM81374 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,1,0,0,0,1|1,1,0]=4 616 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.3 C[C@H]1CN[C@H](C)CN1 AM20090356 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,1,0,0,0,1|1,1,0]=4 622 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,1,0,0,0,1|1,1,0]=4 623 B8R1.3 OC1CSC(O)CS1 AMY24076 [0,1,0,0,0,1|1,0,0]=3 624 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,0,0,1|1,1,0]=4 625 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,0,0,1|1,1,0]=4 626 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,0,0,1|1,1,0]=4 627 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,0,0,1|1,1,0]=4 628 B8R1.4 CC1CC(N)CCN1 AMY19269 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,0,0,1|1,1,0]=4 630 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,0,0,1|1,1,0]=4 631 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,0,0,1|1,1,0]=4 632 B8R1.4 CC1CCCC(N)C1 AM20070507 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.4 CC1CNCC(C)C1 AMY3386 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.4 CC1CNCC(C)N1 AM81382 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21610 [0,1,0,0,0,1|2,0,0]=4 637 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21742 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [0,1,0,0,0,1|1,1,0]=4 639 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AMY202003236 [0,1,0,0,0,1|1,1,0]=4 640 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,0,0,1|1,1,0]=4 643 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AM81381 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [0,1,0,0,0,1|1,1,0]=4 649 B8R1.4 C[C@H]1CNC[C@H](C)N1 AMY21737 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [0,1,0,0,0,1|1,1,0]=4 651 B8R1.4 C[C@H]1COC[C@H](C)N1 AM10860 [0,1,0,0,0,1|1,1,0]=4 652 B8R1.5 CC1CCCCC1N AM804248 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.5 CC1CCCNC1C AM81284 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.5 CC1COCCC1N AM91481 [0,1,0,0,0,1|1,1,0]=4 657 B8R1.5 CC1COCCC1O AM101521 [0,1,0,0,0,1|1,1,0]=4 658 B8R1.5 CC1COCCC1S AM99651 [0,1,0,0,0,1|1,1,0]=4 659 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,1,0,0,0,1|2,0,0]=4 660 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,1,0,0,0,1|2,0,0]=4 661 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,0,0,1|1,0,0]=3 662 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,0,0,1|2,0,0]=4 663 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,0,0,1|2,0,0]=4 664 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,0,0,1|2,0,0]=4 665 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,1,0,0,0,1|2,0,0]=4 666 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,1,0,0,0,1|2,0,0]=4 667 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,0,0,1|1,1,0]=4 668 B8R1.72 CC1(C)CCCNC1 AMY42566 [0,1,0,0,0,1|2,0,0]=4 669 B8R1.72 CC1(C)CCNCC1 AMY21772 [0,1,0,0,0,1|2,0,0]=4 670 B8R1.72 CC1(C)CCNCC1 AMY41051 [0,1,0,0,0,1|2,0,0]=4 671 B8R1.72 CC1(C)CNCCN1 AM20110209 [0,1,0,0,0,1|2,0,0]=4 672 B8R1.72 CC1(C)CNCCO1 AM20080363 [0,1,0,0,0,1|1,1,0]=4 673 B8R1.72 CC1(C)CNCCO1 AMY34686 [0,1,0,0,0,1|1,1,0]=4 674 B8R1.72 CC1(C)COCCN1 AMY21767 [0,1,0,0,0,1|1,1,0]=4 675 B8R1.72 CC1(N)CCCCC1 AM804197 [0,1,0,0,0,1|2,0,0]=4 676 B8R1.72 CC1(N)CCOCC1 AMY23061 [0,1,0,0,0,1|2,0,0]=4 677 B8R1.72 CC1(N)CCOCC1 AMY34985 [0,1,0,0,0,1|2,0,0]=4 678 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,0,0,1|2,0,0]=4 679 B8R1.72 CC1(O)CCNCC1 AM100764 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.72 CC1(O)CCNCC1 AM804091 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.72 CC1(O)CCOCC1 AMY23045 [0,1,0,0,0,1|2,0,0]=4 682 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.1 CC1CC(CO)CN1 AM806518 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 AMY202003270 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY13628 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY202003269 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.1 OC[C@H]1C[C@H](F)CN1 AMY202003253 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.7 CC(=O)C1=NCCS1 AMY14187 [0,2,0,0,0,0|1,0,1]=4 689 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,2,0,0,0,0|2,0,0]=4 690 B8R1.7 CC(C)[C@H]1CCCN1 AMY34369 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.7 C[C@H](N)C1CCCC1 AM86034 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,2,0,0,0,0|1,0,1]=4 693 B8R1.7 O=C(O)[C@H]1NCCS1 AM20100589 [0,2,0,0,0,0|1,0,1]=4 694 B8R1.8 BrCCC1OCCO1 AM20090095 [0,2,0,0,0,0|0,2,0]=4 695 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,2,0,0,0,0|2,0,0]=4 698 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,2,0,0,0,0|2,0,0]=4 699 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,2,0,0,0,0|2,0,0]=4 700 B8R1.8 N#CCC1CCCC1 AMY2023 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.8 NCCC1CCCC1 AM20100413 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.8 NCCC1CCCC1 AMY16086 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,2,0,0,0,0|1,1,0]=4 704 B8R1.8 O=CCC1CCCC1 AMY18693 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.8 OCCC1CCCC1 AMY18681 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,2,0,0,0,0|2,0,0]=4 707 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,2,0,0,0,0|2,0,0]=4 708 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,2,0,0,0,0|2,0,0]=4 710 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,2,0,0,0,0|2,0,0]=4 713 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,2,0,0,0,0|2,0,0]=4 714 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.52 C[C@@]1(C#N)CCCO1 AMY3382 [0,2,0,0,0,0|1,1,0]=4 718 B8R1.52 C[C@@]1(CO)CCCN1 AMY34479 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,2,0,0,0,0|1,1,0]=4 720 B8R1.52 C[C@]1(CO)CCCN1 AMY34476 [0,2,0,0,0,0|2,0,0]=4 721 B8R1.52 NC1(CO)CCCC1 AMY38194 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.52 NCC1(F)CCCC1 AMY34317 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.52 NCC1(N)CCCC1 AMY40946 [0,2,0,0,0,0|2,0,0]=4 724 B8R1.52 NCC1(O)CCCC1 AM20100163 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,2,0,0,0,0|2,0,0]=4 728 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,0,1,1,0,0|2,0,0]=4 729 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,0,1,1,0,0|2,0,0]=4 730 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,1,1,0,0|1,1,0]=4 731 B6R1.1 C1=CCSCC1 AMY37369 [0,0,1,1,0,0|1,0,1]=4 732 B6R1.1 C1CCCCC1 AMY11047 [0,0,1,1,0,0|2,0,0]=4 733 B6R1.1 C1CCNCC1 AMY40816 [0,0,1,1,0,0|2,0,0]=4 734 B6R1.1 C1CCOCC1 AMY8873 [0,0,1,1,0,0|1,1,0]=4 735 B6R1.1 C1COCCN1 AMY14878 [0,0,1,1,0,0|1,1,0]=4 736 B6R1.1 C1COCCN1 AMY22834 [0,0,1,1,0,0|1,1,0]=4 737 B6R1.1 C1COCCN1 AMY721 [0,0,1,1,0,0|1,1,0]=4 738 B6R1.1 C1COCCO1 AMY33329 [0,0,1,1,0,0|0,2,0]=4 739 B6R1.1 C1CSCCN1 AM807014 [0,0,1,1,0,0|1,0,0]=3 740 B6R1.1 C1CSCCO1 AMY25585 [0,0,1,1,0,0|0,1,0]=3 741 B8R2.23 C1NCC2CC1C2 AMY26080 [0,0,0,1,0,1|2,0,0]=4 742 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,1,0,1|1,1,0]=4 743 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,1,0,1|1,1,0]=4 744 B8R2.23 C1OCC2CC1N2 AM803637 [0,0,0,1,0,1|1,1,0]=4 745 B8R2.34 C1=CC2CC1CN2 AMY35181 [0,0,0,1,0,1|2,0,0]=4 746 B8R2.34 C1=CC2CCC1C2 AMY10401 [0,0,0,1,0,1|2,0,0]=4 747 B8R2.34 C1CC2CC1CN2 AMY6354 [0,0,0,1,0,1|2,0,0]=4 748 B8R2.34 C1OC2CNC1C2 AMY33619 [0,0,0,1,0,1|1,1,0]=4 749 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [0,0,0,1,0,1|1,1,0]=4 750 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [0,0,0,1,0,1|1,1,0]=4 751 B8R2.55 C1CNC2(C1)CC2 AMY33805 [0,1,0,1,0,0|2,0,0]=4 752 B4R1.1 C1CNC1 AM20080889 [1,0,0,0,1,0|1,0,0]=3 753 B4R1.1 C1CNC1 AM20090583 [1,0,0,0,1,0|1,0,0]=3 754 B4R1.1 C1COC1 AM20020039 [1,0,0,0,1,0|0,1,0]=3 755 B4R1.2 BrC1CC1 AM90210 [0,0,0,0,2,0|1,0,0]=3 756 B4R1.2 C[C@H]1CO1 AM81470 [0,0,0,0,2,0|0,1,0]=3 757 B4R1.2 C[C@H]1CO1 AM81471 [0,0,0,0,2,0|0,1,0]=3 758 B4R1.2 NC1CC1 AM804333 [0,0,0,0,2,0|1,0,0]=3 759 B4R1.2 OC1CC1 AMY35209 [0,0,0,0,2,0|1,0,0]=3 760 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,0,0,0,2|2,0,0]=4 761 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,0,0,0,0,2|2,0,0]=4 762 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,0,0,0,0,2|2,0,0]=4 763 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,0,0,2|1,1,0]=4