0 B6R1.2 BrC1=CC=CO1 AMY11096 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CC=NO1 AMY42513 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 CC1=CC=CO1 AMY11051 [0,0,0,0,0,0|1,0,3]=4 13 B6R1.2 CC1=CC=NO1 AM20100414 [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 CC1=NC=CO1 AMY24088 [0,0,0,0,0,0|2,0,2]=4 16 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 CC1=NCCS1 AMY23228 [0,0,0,0,0,0|2,1,0]=3 18 B6R1.2 CC1=NN=CO1 AM20090539 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,0,0,0|3,0,1]=4 22 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,0,0,0|2,0,1]=3 23 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,0,0,0|2,0,1]=3 24 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,0,0,0|2,0,1]=3 25 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,0,0,0|2,0,1]=3 26 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,0,0,0|2,0,1]=3 27 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,0,0,0|1,0,1]=2 28 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,0,0,0|3,0,1]=4 29 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,0,0,0|3,0,1]=4 31 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,0,0,0|2,0,1]=3 32 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,0,0,0|3,0,1]=4 33 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,0,0,0|3,0,1]=4 34 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,0,0,0|3,0,1]=4 35 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,0,0,0|3,0,1]=4 37 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,0,0,0|3,0,1]=4 38 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,0,0,0|3,0,1]=4 39 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,0,0,0|3,0,1]=4 41 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,0,0,0|3,0,1]=4 42 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,0,0,0|3,0,1]=4 43 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,0,0,0|3,0,1]=4 44 B6R1.2 IC1=NC=CO1 AMY33608 [0,0,0,0,0,0|2,0,2]=4 45 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,0,0,0|2,0,1]=3 46 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,0,0,0|3,0,1]=4 47 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,0,0,0|3,0,1]=4 49 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,0,0,0|3,0,1]=4 50 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,0,0,0|3,0,1]=4 51 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,0,0,0|3,0,1]=4 52 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,0,0,0|3,0,1]=4 53 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,0,0,0|2,0,0]=2 54 B6R1.2 NC1=CC=NO1 AM20080357 [0,0,0,0,0,0|2,0,2]=4 55 B6R1.2 NC1=NC=CO1 AM20100168 [0,0,0,0,0,0|2,0,2]=4 56 B6R1.2 NC1=NCCS1 AMY202003298 [0,0,0,0,0,0|2,1,0]=3 57 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,0,0,0|2,0,1]=3 58 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,0,0,0|2,0,1]=3 59 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,0,0,0|3,0,1]=4 60 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,0,0,0|3,0,1]=4 61 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,0,0,0|3,0,1]=4 62 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,0,0,0|3,0,1]=4 63 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,0,0,0|3,0,1]=4 64 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,0,0,0|3,0,1]=4 65 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,0,0,0|3,0,1]=4 66 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,0,0,0|3,0,1]=4 67 B6R1.2 O=C1C=CCC1 AM61702 [0,0,0,0,0,0|1,0,1]=2 68 B6R1.2 O=C1C=CCO1 AM20100212 [0,0,0,0,0,0|0,0,2]=2 69 B6R1.2 O=C1C=CNN1 AMY11929 [0,0,0,0,0,0|2,0,2]=4 70 B6R1.2 O=C1CC=NN1 AMY11924 [0,0,0,0,0,0|2,0,1]=3 71 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,0,0,0|1,0,0]=1 72 B6R1.2 O=C1CCCN1 AMY25506 [0,0,0,0,0,0|1,0,0]=1 73 B6R1.2 O=C1CCNC1 AM20120384 [0,0,0,0,0,0|2,0,0]=2 74 B6R1.2 O=C1CCNC1 AMY6183 [0,0,0,0,0,0|2,0,0]=2 75 B6R1.2 O=C1CCNN1 AMY39277 [0,0,0,0,0,0|2,0,0]=2 76 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,0,0,0|2,0,0]=2 77 B6R1.2 O=C1CCSC1 AMY23378 [0,0,0,0,0,0|2,0,0]=2 78 B6R1.2 O=C1CNCN1 AM84594 [0,0,0,0,0,0|2,0,0]=2 79 B6R1.2 O=C1NC=CN1 AMY20044 [0,0,0,0,0,0|2,0,2]=4 80 B6R1.2 O=C1NCCN1 AM20080146 [0,0,0,0,0,0|2,0,0]=2 81 B6R1.2 O=C1NCCO1 AMY39498 [0,0,0,0,0,0|1,0,0]=1 82 B6R1.2 O=C1OC=CO1 AMY10397 [0,0,0,0,0,0|1,0,2]=3 83 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,0,0,0|1,0,2]=3 84 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,0,0,0|0,0,2]=2 85 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,0,0,0|1,0,2]=3 86 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,0,0,0|2,0,2]=4 87 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,0,0,0|2,0,2]=4 88 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,0,0,0|2,0,2]=4 89 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,0,0,0|2,0,2]=4 90 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,0,0,0|2,0,2]=4 91 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,0,0,0|1,0,2]=3 92 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,0,0,0|2,0,2]=4 93 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,0,0,0|2,0,2]=4 94 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,0,0,0|2,0,2]=4 95 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,0,0,0|2,0,2]=4 96 B6R1.2 S=C1CNN=N1 AMY18324 [0,0,0,0,0,0|3,1,0]=4 97 B6R1.2 SC1=NCCS1 AMY23225 [0,0,0,0,0,0|1,2,0]=3 98 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,0,0,0|2,1,1]=4 99 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,0,0,0|2,0,0]=3 100 B5R1.1 C1=CCNC1 AM9928 [1,0,0,0,0,0|2,0,0]=3 101 B5R1.1 C1=CCOC1 AM81814 [1,0,0,0,0,0|2,0,0]=3 102 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,0,0,0|1,0,1]=3 103 B5R1.1 C1=COC=N1 AM20090378 [1,0,0,0,0,0|1,0,2]=4 104 B5R1.1 C1=CON=C1 AM81392 [1,0,0,0,0,0|1,0,2]=4 105 B5R1.1 C1CCNC1 AMY10044 [1,0,0,0,0,0|1,0,1]=3 106 B5R1.1 C1CCOC1 AMY11079 [1,0,0,0,0,0|0,0,1]=2 107 B5R1.1 C1CCOC1 AMY14809 [1,0,0,0,0,0|0,0,1]=2 108 B5R1.1 C1CCOC1 AMY14877 [1,0,0,0,0,0|0,0,1]=2 109 B5R1.1 C1CNNC1 AMY28694 [1,0,0,0,0,0|2,0,0]=3 110 B5R1.1 C1CNOC1 AM803837 [1,0,0,0,0,0|1,0,0]=2 111 B5R1.1 C1COCN1 AMY42397 [1,0,0,0,0,0|1,0,1]=3 112 B5R1.1 C1CSCN1 AMY40189 [1,0,0,0,0,0|1,1,1]=4 113 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,0,0,0|2,0,1]=4 114 B7R1.1 BrCC1OCCO1 AMY39416 [0,1,0,0,0,0|2,0,1]=4 115 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,0,0,0|1,0,1]=3 119 B7R1.1 C=CC1=NCCO1 AMY10793 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 C=CN1CCCC1 AM85776 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.1 CCC1=NCCO1 AM84318 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.1 COC1=NCCN1 AMY792 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.1 CSC1=NCCS1 AM832 [0,1,0,0,0,0|1,2,0]=4 127 B7R1.1 CSC1=NCCS1 AMY22060 [0,1,0,0,0,0|1,2,0]=4 128 B7R1.1 ClCC1=NCCN1 AMY745 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,1,0,0,0,0|2,0,1]=4 130 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,1,0,0,0,0|2,0,1]=4 131 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,1,0,0,0,0|2,0,1]=4 132 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,1,0,0,0,0|2,0,1]=4 133 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,1,0,0,0,0|2,0,1]=4 135 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,1,0,0,0,0|2,0,1]=4 136 B7R1.1 N#CC1=NOCC1 AMY20649 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.1 N#CN1CCCC1 AMY41640 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,1,0,0,0,0|2,0,1]=4 139 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [0,1,0,0,0,0|1,1,1]=4 142 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,0,0,0|2,0,1]=4 143 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,1,0,0,0,0|2,0,1]=4 145 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,1,0,0,0,0|2,0,1]=4 146 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,0,0,0|1,0,1]=3 147 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,0,0,0|1,0,1]=3 148 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,0,0,0|1,0,2]=4 150 B7R1.1 O=CC1=CC=CO1 AM81812 [0,1,0,0,0,0|0,0,3]=4 151 B7R1.1 O=CC1=CC=NO1 AMY41963 [0,1,0,0,0,0|1,0,2]=4 152 B7R1.1 O=CC1=CCC=C1 AMY14685 [0,1,0,0,0,0|1,0,2]=4 153 B7R1.1 O=CC1=CCCC1 AMY30885 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.1 O=CC1=CN=CO1 AM20080128 [0,1,0,0,0,0|1,0,2]=4 155 B7R1.1 O=CC1=NC=CO1 AM20100592 [0,1,0,0,0,0|1,0,2]=4 156 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,0,0,0|1,0,1]=3 157 B7R1.1 O=CN1CCCC1 AMY24174 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,0,0,0|1,0,1]=3 159 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,0,0,0|1,0,1]=3 160 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,0,0,0|1,0,1]=3 161 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,0,0,0|0,0,1]=2 162 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,1,0,0,0,0|2,0,1]=4 164 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,0,0,0|2,0,1]=4 165 B7R1.1 O=S=C1NC=CO1 AMY37038 [0,1,0,0,0,0|1,0,2]=4 166 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,0,0,0|1,0,2]=4 167 B7R1.1 OCC1OCCO1 AMY35660 [0,1,0,0,0,0|1,0,2]=4 168 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,0,0,0|0,0,2]=3 169 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,0,0,0|1,0,2]=4 170 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,0,0,0|1,0,2]=4 171 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,0,0,0|1,0,2]=4 172 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,0,0,0|0,0,2]=3 173 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,0,0,0|0,0,2]=3 174 B7R1.1 ON=C1CCCC1 AM20080131 [0,1,0,0,0,0|1,0,1]=3 175 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,1,0,0,0,0|2,0,1]=4 176 B7R1.2 CC1=NSC(=O)O1 AMY14827 [0,1,0,0,0,0|2,0,1]=4 177 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,0,0,0|2,0,0]=3 179 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,1,0,0,0,0|3,0,0]=4 188 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,1,0,0,0,0|3,0,0]=4 189 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,1,0,0,0,0|3,0,0]=4 190 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,0,0,0|3,0,0]=4 193 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,0,0,0|3,0,0]=4 195 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,0,0,0|1,0,0]=2 197 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,1,0,0,0,0|2,0,1]=4 198 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,0,0,0|1,0,0]=2 199 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,0,0,0|2,0,1]=4 200 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,0,0,0|1,0,0]=2 201 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,0,0,0|1,0,0]=2 202 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,1,0,0,0,0|2,0,1]=4 203 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,0,0,0|1,0,0]=2 204 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,1,0,0,0,0|1,0,0]=2 205 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,0,0,0|2,0,1]=4 206 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,0,0,0|2,0,1]=4 207 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,0,0,0|2,0,1]=4 208 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,0,0,0|2,0,1]=4 209 B7R1.2 NC1=NC(=O)CS1 AMY31386 [0,1,0,0,0,0|2,0,1]=4 210 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,0,0,0|1,0,2]=4 211 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,0,0,0|1,0,2]=4 212 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,0,0,0|1,0,2]=4 213 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,0,0,0|1,0,0]=2 214 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,0,0,0|0,0,0]=1 215 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,0,0,0|2,0,1]=4 216 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,0,0,0|1,0,2]=4 217 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,0,0,0|1,0,2]=4 218 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,0,0,0|1,0,2]=4 219 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,0,0,0|1,0,2]=4 220 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,0,0,0|0,0,0]=1 221 B7R1.2 O=C1C=C(Br)CN1 AMY36765 [0,1,0,0,0,0|1,0,2]=4 222 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,1,0,0,0,0|1,0,1]=3 223 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,1,0,0,0,0|1,0,1]=3 224 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,0,0,0|1,0,0]=2 225 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,1,0,0,0,0|1,0,1]=3 226 B7R1.2 O=C1CSC(=O)N1 AM20090236 [0,1,0,0,0,0|1,1,1]=4 227 B7R1.2 O=C1CSC(=S)N1 AMY21863 [0,1,0,0,0,0|2,0,1]=4 228 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,0,0,0|1,0,0]=2 229 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,0,0,0|1,0,0]=2 230 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,0,0,0|1,0,0]=2 231 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,0,0,0|0,0,0]=1 232 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,1,0,0,0,0|1,0,0]=2 233 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,0,0,0|1,0,2]=4 234 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,1,0,0,0,0|3,0,0]=4 235 B7R1.4 C=C1CCOC1=O AMY7315 [0,1,0,0,0,0|0,0,1]=2 236 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,0,0,0|1,0,0]=2 237 B7R1.4 CN1CCSC1=S AM84657 [0,1,0,0,0,0|1,2,0]=4 238 B7R1.4 CN1N=CCC1=O AMY11892 [0,1,0,0,0,0|2,0,1]=4 239 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,0,0,0|2,0,0]=3 240 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,0,0,0|1,0,0]=2 241 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,0,0,0|0,0,0]=1 242 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,0,0,0|2,0,1]=4 243 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,0,0,0|1,0,2]=4 244 B7R1.4 NN1CCCC1=O AM84704 [0,1,0,0,0,0|1,0,0]=2 245 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,0,0,0|1,0,2]=4 246 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,0,0,0|1,0,2]=4 247 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,0,0,0|0,0,0]=1 248 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,0,0,0|1,0,2]=4 249 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,0,0,0|2,0,1]=4 250 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,0,0,0|1,0,2]=4 251 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,0,0,0|1,0,0]=2 252 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,0,0,0|1,0,0]=2 253 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,0,0,0|0,0,0]=1 254 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,0,0,0|0,0,0]=1 255 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,0,0,0|0,1,0]=2 256 B7R1.4 N[C@H]1CONC1=O AM20100628 [0,1,0,0,0,0|2,0,0]=3 257 B7R1.4 O=C1CCCC1=O AMY23435 [0,1,0,0,0,0|1,0,0]=2 258 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,0,0,0|1,0,0]=2 259 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,0,0,0|1,0,0]=2 260 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,0,0,0|1,0,0]=2 261 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,0,0,0|1,0,0]=2 262 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,1,0,0,0,0|0,0,0]=1 263 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,0,0,0|1,0,2]=4 264 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,0,0,0|2,0,1]=4 265 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,0,0,0|2,0,1]=4 266 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,0,0,0|2,0,1]=4 267 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,0,0,0|2,0,1]=4 268 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,0,0,0|1,0,2]=4 269 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,1,0,0,0,0|2,1,0]=4 270 B7R1.14 FC1(F)CCCC1 AMY5924 [0,1,0,0,0,0|2,0,1]=4 271 B7R1.14 O=S1(=O)C=CCO1 AMY28660 [0,1,0,0,0,0|1,0,2]=4 272 B7R1.14 O=S1(=O)CCC=N1 AMY34126 [0,1,0,0,0,0|2,0,1]=4 273 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,1,0,0,0,0|2,0,0]=3 274 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,1,0,0,0,0|2,0,0]=3 275 B7R1.14 O=S1(=O)NCCN1 AMY9350 [0,1,0,0,0,0|3,0,0]=4 276 B7R1.14 O=S1(=O)OCCO1 AMY21937 [0,1,0,0,0,0|2,0,0]=3 277 B5R0.1 C#CCC(=O)O AMY19285 [0,0,1,0,0,0|0,0,2]=3 278 B5R0.1 C=C(C)CCBr AMY7022 [0,0,1,0,0,0|3,0,0]=4 279 B5R0.1 C=CCC(C)=O AMY31929 [0,0,1,0,0,0|1,0,2]=4 280 B5R0.1 CC#CC(=O)Cl AMY41204 [0,0,1,0,0,0|1,0,2]=4 281 B5R0.1 CC#CC(=O)O AM90222 [0,0,1,0,0,0|0,0,2]=3 282 B5R0.1 CC(=O)CC#N AM86800 [0,0,1,0,0,0|2,0,1]=4 283 B5R0.1 CC(=O)CC#N AMY7035 [0,0,1,0,0,0|2,0,1]=4 284 B5R0.1 CC(=O)CCO AMY31061 [0,0,1,0,0,0|2,0,0]=3 285 B5R0.1 CC(=O)OCCl AMY28690 [0,0,1,0,0,0|1,0,0]=2 286 B5R0.1 CC(=O)\C=N\O AM806560 [0,0,1,0,0,0|3,0,0]=4 287 B5R0.1 CC(C)=CCBr AMY21882 [0,0,1,0,0,0|3,0,0]=4 288 B5R0.1 CC(C)OCCl AMY23885 [0,0,1,0,0,0|2,0,1]=4 289 B5R0.1 CCCB(O)O AMY987 [0,0,1,0,0,0|1,0,1]=3 290 B5R0.1 CCCC(=N)N AM802888 [0,0,1,0,0,0|2,0,0]=3 291 B5R0.1 CCCC(=N)N AMY2389 [0,0,1,0,0,0|2,0,0]=3 292 B5R0.1 CCCC(C)=O AMY25524 [0,0,1,0,0,0|1,0,0]=2 293 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,1,0,0,0|2,0,1]=4 294 B5R0.1 CCNC(=N)N AMY1900 [0,0,1,0,0,0|3,0,0]=4 295 B5R0.1 CCNC(C)C AMY13342 [0,0,1,0,0,0|2,0,1]=4 296 B5R0.1 CCNC(N)=S AMY18739 [0,0,1,0,0,0|2,1,0]=4 297 B5R0.1 CCOC(=S)[S-] AM20080300 [0,0,1,0,0,0|1,1,0]=3 298 B5R0.1 CCOC(C)=N AM90190 [0,0,1,0,0,0|1,0,0]=2 299 B5R0.1 CCOC(N)=O AM20100253 [0,0,1,0,0,0|1,0,0]=2 300 B5R0.1 CCO[PH](=O)[O-] AMY22458 [0,0,1,0,0,0|2,0,0]=3 301 B5R0.1 CCSC(C)=S AM90236 [0,0,1,0,0,0|0,2,0]=3 302 B5R0.1 CNCC(=O)O AM20080021 [0,0,1,0,0,0|1,0,0]=2 303 B5R0.1 CNCC(C)=O AM806508 [0,0,1,0,0,0|2,0,0]=3 304 B5R0.1 CNCC(N)=O AM82642 [0,0,1,0,0,0|2,0,0]=3 305 B5R0.1 COCC(=N)N AM20120573 [0,0,1,0,0,0|3,0,0]=4 306 B5R0.1 COCC(=O)Cl AMY40728 [0,0,1,0,0,0|2,0,0]=3 307 B5R0.1 COCC(=O)O AMY4059 [0,0,1,0,0,0|1,0,0]=2 308 B5R0.1 COC[C@H](C)O AM20100219 [0,0,1,0,0,0|2,0,1]=4 309 B5R0.1 CSCC(N)=O AMY10906 [0,0,1,0,0,0|2,0,0]=3 310 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,1,0,0,0|2,0,1]=4 311 B5R0.1 C\C(Br)=C/CO AMY11209 [0,0,1,0,0,0|3,0,0]=4 312 B5R0.1 C\C=C\C(=O)O AMY11255 [0,0,1,0,0,0|0,0,2]=3 313 B5R0.1 C\C=C\C(C)=O AMY31928 [0,0,1,0,0,0|1,0,1]=3 314 B5R0.1 N#CCC(N)=O AM20080019 [0,0,1,0,0,0|2,0,1]=4 315 B5R0.1 NCCC(=O)O AM20080020 [0,0,1,0,0,0|1,0,0]=2 316 B5R0.1 NCCC(=O)O AMY22128 [0,0,1,0,0,0|1,0,0]=2 317 B5R0.1 NCCC(N)=O AM20100576 [0,0,1,0,0,0|2,0,0]=3 318 B5R0.1 NCCC(N)=O AMY6958 [0,0,1,0,0,0|2,0,0]=3 319 B5R0.1 NNCC(=O)O AMY202100023 [0,0,1,0,0,0|2,0,0]=3 320 B5R0.1 NOCC(=O)O AMY19484 [0,0,1,0,0,0|2,0,0]=3 321 B5R0.1 O=C(Cl)CCBr AM90184 [0,0,1,0,0,0|2,0,0]=3 322 B5R0.1 O=C(O)CCBr AM20100434 [0,0,1,0,0,0|1,0,0]=2 323 B5R0.1 O=C(O)CCF AM803932 [0,0,1,0,0,0|1,0,0]=2 324 B5R0.1 O=C(O)CCO AM85796 [0,0,1,0,0,0|1,0,0]=2 325 B5R0.1 O=C(O)CCS AMY27767 [0,0,1,0,0,0|1,0,0]=2 326 B5R0.1 O=C(O)\C=C/I AMY22685 [0,0,1,0,0,0|1,0,2]=4 327 B5R0.1 O=C(O)\C=C\I AM806037 [0,0,1,0,0,0|1,0,2]=4 328 B5R0.2 BrCCCCBr AM20080049 [0,0,1,0,0,0|2,0,1]=4 329 B5R0.2 C#CCCCC AMY1242 [0,0,1,0,0,0|2,0,1]=4 330 B5R0.2 C=CCCC=C AMY18716 [0,0,1,0,0,0|2,0,1]=4 331 B5R0.2 C=CCCC=C AMY19739 [0,0,1,0,0,0|2,0,1]=4 332 B5R0.2 C=CCCCBr AM20080066 [0,0,1,0,0,0|2,0,0]=3 333 B5R0.2 C=CCCCO AMY41353 [0,0,1,0,0,0|1,0,0]=2 334 B5R0.2 C=CCNC=O AMY24779 [0,0,1,0,0,0|1,0,2]=4 335 B5R0.2 CCCCCBr AMY9378 [0,0,1,0,0,0|2,0,1]=4 336 B5R0.2 CCCCCC AMY22305 [0,0,1,0,0,0|2,0,1]=4 337 B5R0.2 CCCCCN AMY21878 [0,0,1,0,0,0|2,0,1]=4 338 B5R0.2 CCCCCS AMY19243 [0,0,1,0,0,0|1,1,1]=4 339 B5R0.2 CCCCNN AMY202003284 [0,0,1,0,0,0|3,0,0]=4 340 B5R0.2 CCCNCC AMY13343 [0,0,1,0,0,0|2,0,1]=4 341 B5R0.2 CCO\C=C/Br AM806384 [0,0,1,0,0,0|3,0,0]=4 342 B5R0.2 CNCCCN AM20100546 [0,0,1,0,0,0|3,0,0]=4 343 B5R0.2 COCCCBr AM20090592 [0,0,1,0,0,0|3,0,0]=4 344 B5R0.2 COCCCCl AMY25654 [0,0,1,0,0,0|3,0,0]=4 345 B5R0.2 COCCCN AMY21871 [0,0,1,0,0,0|3,0,0]=4 346 B5R0.2 COCCCN AMY38449 [0,0,1,0,0,0|3,0,0]=4 347 B5R0.2 COCCCO AM20080231 [0,0,1,0,0,0|2,0,0]=3 348 B5R0.2 CSCCCCl AMY744 [0,0,1,0,0,0|3,0,0]=4 349 B5R0.2 ClCCCCI AMY2538 [0,0,1,0,0,0|2,0,1]=4 350 B5R0.2 ClCCOCCl AMY38249 [0,0,1,0,0,0|2,0,1]=4 351 B5R0.2 N#CCCC=O AMY9205 [0,0,1,0,0,0|1,0,1]=3 352 B5R0.2 N#CCCCBr AMY10438 [0,0,1,0,0,0|2,0,1]=4 353 B5R0.2 N#CCCCCl AMY40893 [0,0,1,0,0,0|2,0,1]=4 354 B5R0.2 NCCCCCl AMY15236 [0,0,1,0,0,0|2,0,1]=4 355 B5R0.2 NCCCCN AM20090504 [0,0,1,0,0,0|2,0,1]=4 356 B5R0.2 NCCCCO AMY17788 [0,0,1,0,0,0|1,0,1]=3 357 B5R0.2 O=C=NCCCl AMY23213 [0,0,1,0,0,0|2,0,1]=4 358 B5R0.2 O=CCCC=O AMY18777 [0,0,1,0,0,0|0,0,2]=3 359 B5R0.3 C#CC(=O)OC AMY7053 [0,0,1,0,0,0|0,0,2]=3 360 B5R0.3 C=CC(=O)CBr AMY31126 [0,0,1,0,0,0|2,0,1]=4 361 B5R0.3 CCC(=O)CC AMY11060 [0,0,1,0,0,0|1,0,0]=2 362 B5R0.3 CCC(=O)OC AMY21940 [0,0,1,0,0,0|0,0,0]=1 363 B5R0.3 CCC(N)CC AMY4054 [0,0,1,0,0,0|2,0,1]=4 364 B5R0.3 CCN(C)CC AMY13336 [0,0,1,0,0,0|3,0,0]=4 365 B5R0.3 CCN(O)CC AMY25658 [0,0,1,0,0,0|2,0,1]=4 366 B5R0.3 CC\C(C)=N\O AM90385 [0,0,1,0,0,0|3,0,0]=4 367 B5R0.3 CNC(=O)NN AMY42564 [0,0,1,0,0,0|3,0,0]=4 368 B5R0.3 COC(=O)C=O AMY1633 [0,0,1,0,0,0|1,0,1]=3 369 B5R0.3 COC(=O)CF AM20100155 [0,0,1,0,0,0|1,0,0]=2 370 B5R0.3 COC(=O)CN AM81785 [0,0,1,0,0,0|1,0,0]=2 371 B5R0.3 COC(=O)OC AMY37165 [0,0,1,0,0,0|1,0,0]=2 372 B5R0.3 COS(=O)OC AMY18046 [0,0,1,0,0,0|2,0,0]=3 373 B5R0.3 CO[C@@H](C)CN AMY21775 [0,0,1,0,0,0|2,0,1]=4 374 B5R0.3 NNC(=O)CCl AMY39922 [0,0,1,0,0,0|3,0,0]=4 375 B5R0.3 NNC(=O)CO AM803763 [0,0,1,0,0,0|3,0,0]=4 376 B5R0.3 O=C(CBr)CBr AM85919 [0,0,1,0,0,0|3,0,0]=4 377 B5R0.3 O=C(CO)CBr AMY19754 [0,0,1,0,0,0|3,0,0]=4 378 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,1,0,0|2,0,1]=4 379 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,1,0,0|2,0,1]=4 380 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,1,0,0|2,0,1]=4 381 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,1,0,0|1,0,2]=4 382 B5R1.2 BrC1CCC1 AM803913 [0,0,0,0,1,0|1,0,1]=3 383 B5R1.2 BrC1CNC1 AMY34832 [0,0,0,0,1,0|2,0,1]=4 384 B5R1.2 BrC1COC1 AM20020035 [0,0,0,0,1,0|2,0,1]=4 385 B5R1.2 CC1CNC1 AM20120351 [0,0,0,0,1,0|2,0,1]=4 386 B5R1.2 C[C@H]1CCN1 AM806564 [0,0,0,0,1,0|2,0,1]=4 387 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,0,1,0|1,0,1]=3 388 B5R1.2 ClC1CNC1 AMY33719 [0,0,0,0,1,0|2,0,1]=4 389 B5R1.2 ClC1COC1 AMY34839 [0,0,0,0,1,0|2,0,1]=4 390 B5R1.2 FC1CNC1 AM20100512 [0,0,0,0,1,0|2,0,1]=4 391 B5R1.2 FC1CNC1 AMY12200 [0,0,0,0,1,0|2,0,1]=4 392 B5R1.2 FC1COC1 AM20020027 [0,0,0,0,1,0|2,0,1]=4 393 B5R1.2 IC1CCC1 AMY6180 [0,0,0,0,1,0|1,0,1]=3 394 B5R1.2 IC1COC1 AM20020026 [0,0,0,0,1,0|2,0,1]=4 395 B5R1.2 NC1CCC1 AMY2668 [0,0,0,0,1,0|1,0,1]=3 396 B5R1.2 NC1CCC1 AMY6177 [0,0,0,0,1,0|1,0,1]=3 397 B5R1.2 NC1CNC1 AMY6172 [0,0,0,0,1,0|2,0,1]=4 398 B5R1.2 NC1COC1 AM20020021 [0,0,0,0,1,0|2,0,1]=4 399 B5R1.2 NC1COC1 AM85383 [0,0,0,0,1,0|2,0,1]=4 400 B5R1.2 NC1CSC1 AM20120367 [0,0,0,0,1,0|2,0,1]=4 401 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,0,1,0|1,0,1]=3 402 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,0,1,0|0,0,0]=1 403 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,0,1,0|1,0,0]=2 404 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,0,1,0|0,0,0]=1 405 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,0,1,0|1,0,0]=2 406 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,0,1,0|1,0,0]=2 407 B5R1.2 O=C1COC1 AM20020042 [0,0,0,0,1,0|1,0,0]=2 408 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,0,1,0|1,0,0]=2 409 B5R1.2 OC1CCC1 AM803645 [0,0,0,0,1,0|0,0,2]=3 410 B5R1.2 OC1CNC1 AM20100158 [0,0,0,0,1,0|1,0,2]=4 411 B5R1.2 OC1COC1 AM20020046 [0,0,0,0,1,0|1,0,2]=4 412 B5R1.2 OC1CSC1 AMY35636 [0,0,0,0,1,0|1,0,2]=4 413 B5R1.2 SC1COC1 AMY33758 [0,0,0,0,1,0|1,1,1]=4 414 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,0,0,1|2,0,0]=3 415 B7R1.3 BrC1CCNCC1 AM101554 [0,0,0,0,0,1|2,0,1]=4 416 B7R1.3 BrC1CCNCC1 AM20100339 [0,0,0,0,0,1|2,0,1]=4 417 B7R1.3 BrC1CCNCC1 AM90402 [0,0,0,0,0,1|2,0,1]=4 418 B7R1.3 BrC1CCOCC1 AM90079 [0,0,0,0,0,1|2,0,1]=4 419 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,0,0,1|2,0,1]=4 420 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,0,0,1|2,0,1]=4 421 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,0,0,1|2,0,1]=4 422 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,0,0,1|1,0,1]=3 423 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,0,0,1|2,0,0]=3 424 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,0,0,1|1,0,0]=2 425 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,0,0,1|2,0,0]=3 426 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,0,0,1|2,0,0]=3 427 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,0,0,1|2,0,0]=3 428 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,0,0,1|2,0,0]=3 429 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,0,0,1|2,0,0]=3 430 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,0,0,1|2,0,0]=3 431 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,0,0,1|1,0,0]=2 432 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,0,0,1|2,0,1]=4 433 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,0,0,1|2,0,1]=4 434 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,0,0,1|1,1,1]=4 435 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,0,0,1|3,0,0]=4 436 B7R1.3 CN1CCNCC1 AM81360 [0,0,0,0,0,1|3,0,0]=4 437 B7R1.3 CN1CCOCC1 AMY14818 [0,0,0,0,0,1|3,0,0]=4 438 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,0,0,1|1,0,1]=3 439 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,0,0,1|2,0,1]=4 440 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,0,0,1|1,0,2]=4 441 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,0,0,1|2,0,1]=4 442 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,0,0,1|2,0,1]=4 443 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,0,0,1|2,0,1]=4 444 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,0,0,1|2,0,1]=4 445 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,0,0,1|2,0,1]=4 446 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,0,0,1|2,0,1]=4 447 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,0,0,1|2,0,1]=4 448 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,0,0,1|2,0,1]=4 449 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,0,0,1|1,0,1]=3 450 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,0,0,1|1,0,1]=3 451 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,0,0,1|1,0,1]=3 452 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,0,0,1|1,0,1]=3 453 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,0,0,1|2,0,1]=4 454 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,0,0,1|2,0,1]=4 455 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,0,0,1|2,0,1]=4 456 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,0,0,1|2,0,1]=4 457 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,0,0,1|2,0,1]=4 458 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,0,0,1|2,0,0]=3 459 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,0,0,1|2,0,1]=4 460 B7R1.3 ClC1CCNCC1 AM100920 [0,0,0,0,0,1|2,0,1]=4 461 B7R1.3 ClC1CCNCC1 AM20100323 [0,0,0,0,0,1|2,0,1]=4 462 B7R1.3 ClC1CCOCC1 AM794 [0,0,0,0,0,1|2,0,1]=4 463 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,0,0,1|2,0,1]=4 464 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,0,0,1|2,0,1]=4 465 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,0,0,1|2,0,1]=4 466 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,0,0,1|2,0,1]=4 467 B7R1.3 FC1CCNCC1 AM20100405 [0,0,0,0,0,1|2,0,1]=4 468 B7R1.3 FC1CCOCC1 AM100580 [0,0,0,0,0,1|2,0,1]=4 469 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,0,0,1|2,0,1]=4 470 B7R1.3 IC1CCNCC1 AM101380 [0,0,0,0,0,1|2,0,1]=4 471 B7R1.3 IC1CCNCC1 AM94352 [0,0,0,0,0,1|2,0,1]=4 472 B7R1.3 IC1CCOCC1 AM20090312 [0,0,0,0,0,1|2,0,1]=4 473 B7R1.3 NC1=NCCCN1 AMY15652 [0,0,0,0,0,1|2,0,0]=3 474 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,0,0,1|2,0,1]=4 475 B7R1.3 NC1CCNCC1 AM85323 [0,0,0,0,0,1|2,0,1]=4 476 B7R1.3 NC1CCNCC1 AM85335 [0,0,0,0,0,1|2,0,1]=4 477 B7R1.3 NC1CCOCC1 AM20090495 [0,0,0,0,0,1|2,0,1]=4 478 B7R1.3 NC1CCOCC1 AM20100013 [0,0,0,0,0,1|2,0,1]=4 479 B7R1.3 NC1CCOCC1 AM669 [0,0,0,0,0,1|2,0,1]=4 480 B7R1.3 NC1CCSCC1 AMY32230 [0,0,0,0,0,1|2,0,1]=4 481 B7R1.3 NC1CCSCC1 AMY3238 [0,0,0,0,0,1|2,0,1]=4 482 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,0,0,1|3,0,0]=4 483 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,0,0,1|3,0,0]=4 484 B7R1.3 NN1CCNCC1 AM20090429 [0,0,0,0,0,1|3,0,0]=4 485 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,0,0,1|2,0,1]=4 486 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,0,0,0,0,1|2,0,1]=4 487 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,0,0,1|2,0,1]=4 488 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,0,0,1|2,0,1]=4 489 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,0,0,1|2,0,1]=4 490 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,0,0,1|2,0,1]=4 491 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,0,0,1|1,0,1]=3 492 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,0,0,1|1,0,1]=3 493 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,0,0,1|1,0,1]=3 494 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,0,0,1|1,0,1]=3 495 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,0,0,1|1,0,1]=3 496 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,0,0,1|1,0,1]=3 497 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,0,0,1|0,0,2]=3 498 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,0,0,1|1,0,0]=2 499 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,0,0,1|1,0,0]=2 500 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,0,0,1|1,0,0]=2 501 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,0,0,1|0,0,0]=1 502 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,0,0,1|0,1,0]=2 503 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,0,0,1|1,0,0]=2 504 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,0,0,1|1,0,0]=2 505 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,0,0,1|1,0,0]=2 506 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,0,0,1|1,0,0]=2 507 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,0,0,1|1,0,0]=2 508 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,0,0,1|1,0,0]=2 509 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,0,0,1|0,0,0]=1 510 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,0,0,1|1,0,0]=2 511 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,0,0,1|1,0,0]=2 512 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,0,0,1|1,0,0]=2 513 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,0,0,1|0,0,0]=1 514 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,0,0,1|2,0,0]=3 515 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,0,0,1|1,0,2]=4 516 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,0,0,1|1,0,2]=4 517 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,0,0,1|1,0,2]=4 518 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,0,0,1|1,0,2]=4 519 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,0,0,1|1,0,2]=4 520 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,0,0,1|0,0,2]=3 521 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,0,0,1|0,0,2]=3 522 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,0,0,1|1,0,2]=4 523 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,0,0,1|1,0,2]=4 524 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,0,0,1|1,0,2]=4 525 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,0,0,1|1,0,2]=4 526 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,0,0,1|1,0,2]=4 527 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,0,0,1|0,0,2]=3 528 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,0,0,1|1,1,0]=3 529 B7R1.3 SC1=NCCCN1 AMY7063 [0,0,0,0,0,1|1,1,0]=3 530 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,0,0,1|1,1,1]=4 531 B7R1.3 SC1CCOCC1 AM100476 [0,0,0,0,0,1|1,1,1]=4 532 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,0,0,1|1,1,1]=4 533 B4R0.1 C#CC(=O)O AMY7000 [1,0,1,0,0,0|0,0,2]=4 534 B4R0.1 C=C(C)CBr AM85592 [1,0,1,0,0,0|2,0,0]=4 535 B4R0.1 C=C(C)CN AMY13356 [1,0,1,0,0,0|2,0,0]=4 536 B4R0.1 CC(=O)C#N AMY39183 [1,0,1,0,0,0|1,0,1]=4 537 B4R0.1 CC(=O)CBr AM85840 [1,0,1,0,0,0|1,0,0]=3 538 B4R0.1 CC(=O)CN AMY15017 [1,0,1,0,0,0|1,0,0]=3 539 B4R0.1 CC(=O)CN AMY25062 [1,0,1,0,0,0|1,0,0]=3 540 B4R0.1 CC(=O)NN AM20080014 [1,0,1,0,0,0|2,0,0]=4 541 B4R0.1 CC(=O)NO AM20100343 [1,0,1,0,0,0|2,0,0]=4 542 B4R0.1 CCB(O)O AM80871 [1,0,1,0,0,0|1,0,1]=4 543 B4R0.1 CCC(=N)N AM803843 [1,0,1,0,0,0|2,0,0]=4 544 B4R0.1 CCC(=O)Cl AMY4112 [1,0,1,0,0,0|1,0,0]=3 545 B4R0.1 CCC(=O)O AMY4114 [1,0,1,0,0,0|0,0,0]=2 546 B4R0.1 CCC(=O)[O-] AMY22300 [1,0,1,0,0,0|0,0,1]=3 547 B4R0.1 CCC(=O)[O-] AMY37013 [1,0,1,0,0,0|0,0,1]=3 548 B4R0.1 CCC(C)[O-] AMY22246 [1,0,1,0,0,0|0,0,2]=4 549 B4R0.1 CCC(N)=S AMY39288 [1,0,1,0,0,0|1,1,0]=4 550 B4R0.1 CCN(C)C AMY13339 [1,0,1,0,0,0|2,0,0]=4 551 B4R0.1 CC[C@H](C)O AMY11001 [1,0,1,0,0,0|0,0,2]=4 552 B4R0.1 CC[S@](=O)[O-] AMY15674 [1,0,1,0,0,0|1,0,1]=4 553 B4R0.1 CNC(C)=O AMY4115 [1,0,1,0,0,0|1,0,0]=3 554 B4R0.1 CNC(N)=O AMY40217 [1,0,1,0,0,0|2,0,0]=4 555 B4R0.1 COC(=N)N AM85805 [1,0,1,0,0,0|2,0,0]=4 556 B4R0.1 COC(=N)N AMY8981 [1,0,1,0,0,0|2,0,0]=4 557 B4R0.1 COC(N)=O AMY4044 [1,0,1,0,0,0|1,0,0]=3 558 B4R0.1 NC(=O)CBr AM85872 [1,0,1,0,0,0|2,0,0]=4 559 B4R0.1 NC(=O)CCl AMY4113 [1,0,1,0,0,0|2,0,0]=4 560 B4R0.1 NCC(=O)O AM81781 [1,0,1,0,0,0|1,0,0]=3 561 B4R0.1 NCC(=O)[O-] AMY37022 [1,0,1,0,0,0|1,0,1]=4 562 B4R0.1 NCC(N)=O AM20080473 [1,0,1,0,0,0|2,0,0]=4 563 B4R0.1 NCC(N)=O AMY20517 [1,0,1,0,0,0|2,0,0]=4 564 B4R0.1 NCC(N)=O AMY22705 [1,0,1,0,0,0|2,0,0]=4 565 B4R0.1 O=C(Br)CBr AMY21867 [1,0,1,0,0,0|2,0,0]=4 566 B4R0.1 O=C(Cl)CBr AMY13645 [1,0,1,0,0,0|2,0,0]=4 567 B4R0.1 O=C(Cl)CCl AMY40193 [1,0,1,0,0,0|2,0,0]=4 568 B4R0.1 O=C([O-])CS AMY25320 [1,0,1,0,0,0|1,0,1]=4 569 B4R0.1 O=CC(=O)O AMY40947 [1,0,1,0,0,0|1,0,1]=4 570 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,1,0,0,0|1,0,1]=4 571 B4R0.2 BrCCCBr AMY25527 [1,0,1,0,0,0|2,0,0]=4 572 B4R0.2 C#COCC AMY33551 [1,0,1,0,0,0|0,0,2]=4 573 B4R0.2 C=CCCCl AMY11185 [1,0,1,0,0,0|1,0,1]=4 574 B4R0.2 C=CCCO AMY14291 [1,0,1,0,0,0|0,0,1]=3 575 B4R0.2 C=CCNC AMY13350 [1,0,1,0,0,0|2,0,0]=4 576 B4R0.2 C=CCOC AM20100534 [1,0,1,0,0,0|2,0,0]=4 577 B4R0.2 CCCCN AMY21914 [1,0,1,0,0,0|1,0,1]=4 578 B4R0.2 CCCNN AM9771 [1,0,1,0,0,0|2,0,0]=4 579 B4R0.2 CCNCC AMY25752 [1,0,1,0,0,0|1,0,1]=4 580 B4R0.2 CCPCC AMY11725 [1,0,1,0,0,0|1,0,1]=4 581 B4R0.2 CC\C=C\Br AMY796 [1,0,1,0,0,0|1,0,1]=4 582 B4R0.2 CNCCO AMY32697 [1,0,1,0,0,0|1,0,1]=4 583 B4R0.2 COCCCl AMY25739 [1,0,1,0,0,0|1,0,1]=4 584 B4R0.2 COCCN AM808206 [1,0,1,0,0,0|1,0,1]=4 585 B4R0.2 CSCCO AMY19250 [1,0,1,0,0,0|1,0,1]=4 586 B4R0.2 C\C=C\CCl AMY618 [1,0,1,0,0,0|2,0,0]=4 587 B4R0.2 C\C=C\CO AMY21936 [1,0,1,0,0,0|1,0,1]=4 588 B4R0.2 ClCCCBr AMY40180 [1,0,1,0,0,0|2,0,0]=4 589 B4R0.2 ClCCCCl AMY22013 [1,0,1,0,0,0|2,0,0]=4 590 B4R0.2 ClCCCI AMY25762 [1,0,1,0,0,0|2,0,0]=4 591 B4R0.2 FCCCBr AMY28674 [1,0,1,0,0,0|2,0,0]=4 592 B4R0.2 NCCCBr AM20100225 [1,0,1,0,0,0|2,0,0]=4 593 B4R0.2 NCCCN AMY21886 [1,0,1,0,0,0|2,0,0]=4 594 B4R0.2 NCCON AMY10143 [1,0,1,0,0,0|2,0,0]=4 595 B4R0.2 NNCCO AM20080045 [1,0,1,0,0,0|2,0,0]=4 596 B4R0.2 OCCCBr AM20100533 [1,0,1,0,0,0|1,0,0]=3 597 B4R0.2 OCCCCl AMY9478 [1,0,1,0,0,0|1,0,0]=3 598 B4R0.2 OCCCF AM1014 [1,0,1,0,0,0|1,0,0]=3 599 B4R0.2 SCCCBr AM806637 [1,0,1,0,0,0|1,1,0]=4 600 B4R0.2 [Li]CCCC AMY14790 [1,0,1,0,0,0|1,0,1]=4 601 B6R0.1 C#CC(=O)OCC AM20100525 [0,1,1,0,0,0|0,0,1]=3 602 B6R0.1 C=CC(=O)NCC AMY36703 [0,1,1,0,0,0|1,0,1]=4 603 B6R0.1 C=CC(=O)OCC AMY40211 [0,1,1,0,0,0|0,0,1]=3 604 B6R0.1 CC#CC(=O)OC AMY1234 [0,1,1,0,0,0|0,0,2]=4 605 B6R0.1 CCNC(=O)CCl AM802871 [0,1,1,0,0,0|1,0,0]=3 606 B6R0.1 CCNC(=O)NC AM85700 [0,1,1,0,0,0|1,0,0]=3 607 B6R0.1 CCOC(=N)CCl AMY15738 [0,1,1,0,0,0|1,0,0]=3 608 B6R0.1 CCOC(=O)CBr AM20070701 [0,1,1,0,0,0|0,0,0]=2 609 B6R0.1 CCOC(=O)CC AMY21941 [0,1,1,0,0,0|0,0,0]=2 610 B6R0.1 CCOC(=O)CN AM81786 [0,1,1,0,0,0|0,0,0]=2 611 B6R0.1 CCOC(=O)NC AMY3767 [0,1,1,0,0,0|0,0,0]=2 612 B6R0.1 CCOC(=O)NN AMY23328 [0,1,1,0,0,0|1,0,0]=3 613 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,1,1,0,0,0|1,0,0]=3 614 B6R0.1 CNCC(=O)OC AM82645 [0,1,1,0,0,0|1,0,0]=3 615 B6R0.1 COC(=O)CCBr AMY21872 [0,1,1,0,0,0|1,0,0]=3 616 B6R0.1 COC(=O)CCN AM20090461 [0,1,1,0,0,0|1,0,0]=3 617 B6R0.1 COC(=O)CCO AM85845 [0,1,1,0,0,0|1,0,0]=3 618 B6R0.1 COC(=O)CSC AMY10908 [0,1,1,0,0,0|1,0,0]=3 619 B6R0.1 COC(=O)OCCl AMY37648 [0,1,1,0,0,0|1,0,0]=3 620 B6R0.1 COCC(=O)NN AMY3068 [0,1,1,0,0,0|2,0,0]=4 621 B6R0.1 COCC(=O)OC AMY4063 [0,1,1,0,0,0|1,0,0]=3 622 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,1,1,0,0,0|0,0,2]=4 623 B6R0.1 O=C(CCl)CCCl AM9592 [0,1,1,0,0,0|2,0,0]=4 624 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,1,1,0,0,0|1,0,1]=4 625 B6R0.2 CC(=O)CC(C)C AMY11098 [0,1,1,0,0,0|1,0,0]=3 626 B6R0.2 CC(=O)NC(C)C AMY3785 [0,1,1,0,0,0|1,0,0]=3 627 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,1,1,0,0,0|1,0,1]=4 628 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,1,1,0,0,0|1,0,1]=4 629 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,1,1,0,0,0|1,0,1]=4 630 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,1,1,0,0,0|1,0,1]=4 631 B6R0.2 CC(C)CB(O)O AM80872 [0,1,1,0,0,0|1,0,1]=4 632 B6R0.2 CC(C)CC(=O)O AMY40214 [0,1,1,0,0,0|0,0,0]=2 633 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,1,1,0,0,0|1,0,0]=3 634 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,1,1,0,0,0|0,0,1]=3 635 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,1,1,0,0,0|0,0,1]=3 636 B6R0.2 CN(C)CC(=O)O AM20080064 [0,1,1,0,0,0|1,0,0]=3 637 B6R0.2 CN(C)CC(=O)O AM81799 [0,1,1,0,0,0|1,0,0]=3 638 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,1,1,0,0,0|1,0,1]=4 639 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,1,1,0,0,0|1,0,1]=4 640 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,1,1,0,0,0|0,0,0]=2 641 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,1,1,0,0,0|0,0,0]=2 642 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,1,1,0,0,0|0,0,0]=2 643 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,1,1,0,0,0|0,0,0]=2 644 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,1,1,0,0,0|0,0,0]=2 645 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,1,1,0,0,0|0,0,0]=2 646 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,1,1,0,0,0|0,0,0]=2 647 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,1,1,0,0,0|0,0,1]=3 648 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,1,1,0,0,0|0,0,1]=3 649 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,1,1,0,0,0|0,0,1]=3 650 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,1,1,0,0,0|1,0,1]=4 651 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,1,1,0,0,0|1,0,1]=4 652 B6R0.2 O=C(O)CC(F)F AMY6157 [0,1,1,0,0,0|1,0,0]=3 653 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,1,1,0,0,0|2,0,0]=4 654 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,1,1,0,0,0|2,0,0]=4 655 B6R0.3 CCC(=O)C(=O)O AM90224 [0,1,1,0,0,0|0,0,1]=3 656 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,1,1,0,0,0|0,0,2]=4 657 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,1,1,0,0,0|1,0,0]=3 658 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,1,1,0,0,0|2,0,0]=4 659 B6R0.3 CCN(O)C(C)=O AMY33549 [0,1,1,0,0,0|1,0,0]=3 660 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,1,1,0,0,0|0,0,0]=2 661 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,1,1,0,0,0|1,0,0]=3 662 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,1,1,0,0,0|0,0,0]=2 663 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,1,1,0,0,0|1,0,1]=4 664 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,1,1,0,0,0|0,0,0]=2 665 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,1,1,0,0,0|0,0,0]=2 666 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,1,1,0,0,0|0,0,0]=2 667 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,1,1,0,0,0|0,0,0]=2 668 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,1,1,0,0,0|1,0,0]=3 669 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,1,1,0,0,0|1,0,0]=3 670 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,1,1,0,0,0|0,0,0]=2 671 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,1,1,0,0,0|1,0,0]=3 672 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,1,1,0,0,0|1,0,0]=3 673 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,1,1,0,0,0|1,0,0]=3 674 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,1,1,0,0,0|1,0,1]=4 675 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,1,1,0,0,0|1,0,0]=3 676 B6R0.3 COC(=O)C(C)=O AMY40825 [0,1,1,0,0,0|2,0,0]=4 677 B6R0.3 CON(C)C(C)=O AM1188 [0,1,1,0,0,0|2,0,0]=4 678 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,1,1,0,0,0|1,0,0]=3 679 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,1,1,0,0,0|1,0,0]=3 680 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,1,1,0,0,0|1,0,0]=3 681 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,1,1,0,0,0|1,0,1]=4 682 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,1,1,0,0,0|1,0,1]=4 683 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,1,1,0,0,0|0,0,2]=4 684 B6R0.3 NC(=O)C(N)CO AM806435 [0,1,1,0,0,0|2,0,0]=4 685 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,1,1,0,0,0|2,0,0]=4 686 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,1,1,0,0,0|1,0,0]=3 687 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,1,1,0,0,0|1,0,0]=3 688 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,1,1,0,0,0|1,0,0]=3 689 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,1,1,0,0,0|1,0,0]=3 690 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,1,1,0,0,0|1,0,0]=3 691 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,1,1,0,0,0|1,0,0]=3 692 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,1,1,0,0,0|1,0,0]=3 693 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,1,1,0,0,0|1,0,0]=3 694 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,1,1,0,0,0|1,0,0]=3 695 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,1,1,0,0,0|1,0,0]=3 696 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,1,1,0,0,0|1,0,0]=3 697 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,1,1,0,0,0|1,0,0]=3 698 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,1,1,0,0,0|1,0,0]=3 699 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,1,1,0,0,0|1,0,0]=3 700 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,1,1,0,0,0|1,0,0]=3 701 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,1,1,0,0,0|1,0,0]=3 702 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,1,1,0,0,0|1,0,1]=4 703 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,1,1,0,0,0|1,0,0]=3 704 B6R0.4 C#CCOC(=O)Cl AMY3955 [0,1,1,0,0,0|1,0,1]=4 705 B6R0.4 C#CCOC(C)=O AM90264 [0,1,1,0,0,0|0,0,1]=3 706 B6R0.4 C=CCCC(=O)Cl AMY808 [0,1,1,0,0,0|1,0,1]=4 707 B6R0.4 C=CCCC(=O)O AMY12553 [0,1,1,0,0,0|0,0,1]=3 708 B6R0.4 C=CCCC(C)=O AM84335 [0,1,1,0,0,0|1,0,1]=4 709 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,1,1,0,0,0|1,0,1]=4 710 B6R0.4 C=CCOC(C)=O AMY22115 [0,1,1,0,0,0|0,0,1]=3 711 B6R0.4 C=CNCC(=O)O AMY22733 [0,1,1,0,0,0|0,0,2]=4 712 B6R0.4 CC(=O)NCCN AMY40665 [0,1,1,0,0,0|1,0,0]=3 713 B6R0.4 CC(C)OCCBr AM80879 [0,1,1,0,0,0|1,0,1]=4 714 B6R0.4 CCCCC(=O)[O-] AMY026 [0,1,1,0,0,0|0,0,1]=3 715 B6R0.4 CCCOC(=O)Cl AMY3779 [0,1,1,0,0,0|1,0,0]=3 716 B6R0.4 CCOCC(=O)O AMY4062 [0,1,1,0,0,0|0,0,0]=2 717 B6R0.4 CCSCC(=O)O AM20100532 [0,1,1,0,0,0|0,0,0]=2 718 B6R0.4 CNCCC(=O)O AM84855 [0,1,1,0,0,0|0,0,0]=2 719 B6R0.4 COCCC(=O)O AMY2689 [0,1,1,0,0,0|0,0,0]=2 720 B6R0.4 NC(=O)OCCCl AMY19018 [0,1,1,0,0,0|1,0,0]=3 721 B6R0.4 NCCCC(=O)O AM20100372 [0,1,1,0,0,0|0,0,0]=2 722 B6R0.4 NCCCC(N)=O AMY15220 [0,1,1,0,0,0|1,0,0]=3 723 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,1,1,0,0,0|1,0,0]=3 724 B6R0.4 O=C(O)CCCS AM20080221 [0,1,1,0,0,0|0,0,0]=2 725 B6R0.4 O=C(O)\C=C\CBr AMY7050 [0,1,1,0,0,0|0,0,2]=4 726 B6R0.5 CCCS(=O)(=O)Cl AMY39421 [0,1,1,0,0,0|1,0,1]=4 727 B6R0.5 CCCS(N)(=O)=O AMY27802 [0,1,1,0,0,0|1,0,1]=4 728 B6R0.5 CCOS(C)(=O)=O AMY38422 [0,1,1,0,0,0|1,0,0]=3 729 B6R0.5 CCO[Si](C)(C)C AMY7005 [0,1,1,0,0,0|1,1,0]=4 730 B6R0.5 NCCP(=O)(O)O AMY31171 [0,1,1,0,0,0|2,0,0]=4 731 B6R0.5 NCCS(=O)(=O)O AM20080018 [0,1,1,0,0,0|2,0,0]=4 732 B6R0.5 O=P(O)(O)CCBr AMY31194 [0,1,1,0,0,0|2,0,0]=4 733 B6R0.6 C#CCOCCO AMY28705 [0,1,1,0,0,0|1,0,1]=4 734 B6R0.6 C=CCCCCBr AM84859 [0,1,1,0,0,0|2,0,0]=4 735 B6R0.6 C=CCCCCO AM20100796 [0,1,1,0,0,0|1,0,0]=3 736 B6R0.6 C=COCCCN AMY3063 [0,1,1,0,0,0|1,0,0]=3 737 B6R0.6 C=COCCON AMY3312 [0,1,1,0,0,0|2,0,0]=4 738 B6R0.6 CCCCON=O AMY4016 [0,1,1,0,0,0|1,0,0]=3 739 B6R0.6 CCOCCCN AMY21920 [0,1,1,0,0,0|1,0,1]=4 740 B6R0.6 CCOCCCO AM20080058 [0,1,1,0,0,0|1,0,1]=4 741 B6R0.6 CCOCOCC AMY25683 [0,1,1,0,0,0|1,0,1]=4 742 B6R0.6 COCCCCBr AMY9376 [0,1,1,0,0,0|1,0,1]=4 743 B6R0.6 COCCCCO AM20080057 [0,1,1,0,0,0|0,0,2]=4 744 B6R0.6 C\C=C\CCCO AMY2616 [0,1,1,0,0,0|1,0,0]=3 745 B6R0.6 NCCOCCO AMY18064 [0,1,1,0,0,0|1,0,1]=4 746 B6R0.6 O=CCCCC=O AMY3308 [0,1,1,0,0,0|0,0,1]=3 747 B6R0.6 O=CCCCCCl AMY772 [0,1,1,0,0,0|1,0,0]=3 748 B6R0.6 OCCCCCBr AM20090543 [0,1,1,0,0,0|1,0,1]=4 749 B6R0.6 OCCOCCBr AMY4498 [0,1,1,0,0,0|1,0,1]=4 750 B6R0.6 OCCOCCCl AMY9387 [0,1,1,0,0,0|1,0,1]=4 751 B6R0.8 COP(=O)(S)OC AM84934 [0,1,1,0,0,0|2,0,0]=4 752 B6R0.8 COS(=O)(=O)OC AMY40210 [0,1,1,0,0,0|2,0,0]=4 753 B6R1.5 C=C1CC(N)C1 AM84287 [0,1,0,0,1,0|1,0,0]=3 754 B6R1.5 C=C1CC(N)C1 AM84288 [0,1,0,0,1,0|1,0,0]=3 755 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,0,1,0|0,0,0]=2 756 B6R1.5 CN1CC(N)C1 AMY4272 [0,1,0,0,1,0|2,0,0]=4 757 B6R1.5 CN1CC(O)C1 AM802928 [0,1,0,0,1,0|2,0,0]=4 758 B6R1.5 CN1CC(O)C1 AMY9067 [0,1,0,0,1,0|2,0,0]=4 759 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,0,1,0|0,0,0]=2 760 B6R1.5 NC1CC(F)C1 AMY6159 [0,1,0,0,1,0|1,0,1]=4 761 B6R1.5 NC1CC(N)C1 AM85963 [0,1,0,0,1,0|1,0,1]=4 762 B6R1.5 NC1CC(O)C1 AM20070560 [0,1,0,0,1,0|0,0,2]=4 763 B6R1.5 NC1CC(O)C1 AM20070615 [0,1,0,0,1,0|0,0,2]=4 764 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,1,0,0,1,0|1,0,1]=4 765 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,1,0,0,1,0|1,0,1]=4 766 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,1,0,0,1,0|0,0,2]=4 767 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,1,0,0,1,0|1,0,1]=4 768 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,1,0,0,1,0|0,0,2]=4 769 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,1,0,0,1,0|0,0,2]=4 770 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,0,1,0|0,0,0]=2 771 B6R1.5 OC1CC(F)C1 AMY33730 [0,1,0,0,1,0|0,0,2]=4 772 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,1,0,0,1,0|0,0,2]=4 773 B6R1.6 BrCC1CCC1 AM20070598 [0,1,0,0,1,0|1,0,1]=4 774 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,1,0,0,1,0|1,0,1]=4 775 B6R1.6 ClCC1CCC1 AMY31015 [0,1,0,0,1,0|1,0,1]=4 776 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,0,1,0|1,0,1]=4 777 B6R1.6 ICC1CCC1 AMY34464 [0,1,0,0,1,0|1,0,1]=4 778 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,1,0,0,1,0|1,0,1]=4 779 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,0,1,0|1,0,1]=4 780 B6R1.6 NCC1CCC1 AM20070613 [0,1,0,0,1,0|1,0,1]=4 781 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,1,0,0,1,0|1,0,1]=4 782 B6R1.6 NNC1CCC1 AM9769 [0,1,0,0,1,0|1,0,1]=4 783 B6R1.6 NNC1CCC1 AM9783 [0,1,0,0,1,0|1,0,1]=4 784 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,0,1,0|0,0,1]=3 785 B6R1.6 O=CC1COC1 AMY38489 [0,1,0,0,1,0|1,0,1]=4 786 B6R1.6 OCC1CCC1 AM90211 [0,1,0,0,1,0|0,0,2]=4 787 B6R1.6 OC[C@H]1CCO1 AM807004 [0,1,0,0,1,0|0,0,2]=4 788 B6R1.10 CC1(N)CCC1 AM808140 [0,1,0,0,1,0|1,0,1]=4 789 B6R1.10 CC1(N)CCC1 AMY1785 [0,1,0,0,1,0|1,0,1]=4 790 B6R1.10 O=S1(=O)CCC1 AM20100397 [0,1,0,0,1,0|1,0,0]=3 791 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,1,0,0,0,1|1,0,1]=4 792 B8R1.2 CC=C1CCOCC1 AMY6099 [0,1,0,0,0,1|2,0,0]=4 793 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,0,0,1|1,0,1]=4 794 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,0,0,1|1,0,1]=4 795 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,0,0,1|1,0,1]=4 796 B8R1.2 COC1=CCOCC1 AMY33855 [0,1,0,0,0,1|1,0,1]=4 797 B8R1.2 CSC1=NCCCN1 AMY7072 [0,1,0,0,0,1|1,1,0]=4 798 B8R1.2 ClCC1OCCCO1 AM81012 [0,1,0,0,0,1|1,0,1]=4 799 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,1,0,0,0,1|1,0,1]=4 800 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,1,0,0,0,1|1,0,1]=4 801 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,0,0,1|2,0,0]=4 802 B8R1.2 N#CC1=CCCCO1 AMY25029 [0,1,0,0,0,1|1,0,0]=3 803 B8R1.2 N#CC1=CCOCC1 AMY16164 [0,1,0,0,0,1|2,0,0]=4 804 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,0,0,1|1,0,1]=4 805 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,1,0,0,0,1|1,0,1]=4 806 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,1,0,0,0,1|1,0,1]=4 807 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,1,0,0,0,1|1,0,1]=4 808 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,0,0,1|0,0,2]=4 809 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,0,0,1|1,0,0]=3 810 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,0,0,1|0,0,1]=3 811 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,0,0,1|1,0,1]=4 812 B8R1.2 O=CC1CCNCC1 AM100891 [0,1,0,0,0,1|1,0,1]=4 813 B8R1.2 O=CC1CCNCC1 AM90778 [0,1,0,0,0,1|1,0,1]=4 814 B8R1.2 O=CC1CCNCC1 AM98195 [0,1,0,0,0,1|1,0,1]=4 815 B8R1.2 O=CC1CCOCC1 AM1035 [0,1,0,0,0,1|1,0,1]=4 816 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,0,0,1|2,0,0]=4 817 B8R1.2 O=CN1CCNCC1 AM81361 [0,1,0,0,0,1|2,0,0]=4 818 B8R1.2 O=CN1CCOCC1 AMY23275 [0,1,0,0,0,1|2,0,0]=4 819 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,0,0,1|1,0,1]=4 820 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,0,0,1|1,0,1]=4 821 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,1,0,0,0,1|1,0,1]=4 822 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,0,0,1|1,0,1]=4 823 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,0,0,1|1,0,1]=4 824 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,1,0,0,0,1|0,0,1]=3 825 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,1,0,0,0,1|0,0,2]=4 826 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,1,0,0,0,1|0,0,2]=4 827 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,0,0,1|0,0,2]=4 828 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,0,0,1|0,0,2]=4 829 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,1,0,0,0,1|0,0,2]=4 830 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,1,0,0,0,1|0,0,2]=4 831 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,1,0,0,0,1|0,0,2]=4 832 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,1,0,0,0,1|0,0,2]=4 833 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,1,0,0,0,1|0,0,2]=4 834 B8R1.2 ON=C1CCOCC1 AMY19185 [0,1,0,0,0,1|1,0,1]=4 835 B8R1.2 ON=C1CCSCC1 AMY10286 [0,1,0,0,0,1|1,0,1]=4 836 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,1,0,0,0,1|1,0,1]=4 837 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,0,0,1|1,0,0]=3 838 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,1,0,0,0,1|2,0,0]=4 839 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,0,0,1|1,0,0]=3 840 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,0,0,1|1,0,0]=3 841 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,0,0,1|1,0,0]=3 842 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,1,0,0,0,1|1,0,1]=4 843 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,0,0,1|1,0,0]=3 844 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,1,0,0,0,1|1,0,1]=4 845 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,1,0,0,0,1|1,0,1]=4 846 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,0,0,1|1,0,0]=3 847 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,0,0,1|1,0,0]=3 848 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,0,0,1|1,0,0]=3 849 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,0,0,1|1,0,0]=3 850 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,1,0,0,0,1|1,0,0]=3 851 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,0,0,1|1,0,0]=3 852 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,0,0,1|1,0,0]=3 853 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,0,0,1|1,0,0]=3 854 B8R1.3 OC1COC(O)CO1 AM20090246 [0,1,0,0,0,1|0,0,2]=4 855 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,0,0,1|1,0,1]=4 856 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,0,0,1|2,0,0]=4 857 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,0,0,1|1,0,1]=4 858 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,0,0,1|1,0,1]=4 859 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,0,0,1|1,0,1]=4 860 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,0,0,1|1,0,1]=4 861 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,0,0,1|1,0,1]=4 862 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,0,0,1|1,0,0]=3 863 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,0,0,1|1,0,0]=3 864 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [0,1,0,0,0,1|1,0,1]=4 865 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,0,0,1|1,0,0]=3 866 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,0,0,1|1,0,0]=3 867 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,0,0,1|1,0,0]=3 868 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,0,0,1|1,0,0]=3 869 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,0,0,1|1,0,0]=3 870 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [0,1,0,0,0,1|1,0,1]=4 871 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [0,1,0,0,0,1|1,0,1]=4 872 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,0,0,1|1,0,0]=3 873 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,0,0,1|1,0,0]=3 874 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,0,0,1|1,0,0]=3 875 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,1,0,0,0,1|1,0,0]=3 876 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,0,0,1|0,0,0]=2 877 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,0,0,1|1,0,0]=3 878 B8R1.4 O=C1CNCC(=O)N1 AMY34235 [0,1,0,0,0,1|1,0,1]=4 879 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,0,0,1|1,0,0]=3 880 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,0,0,1|1,0,0]=3 881 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,0,0,1|1,0,0]=3 882 B8R1.5 CC1=NCCCN1C AM20100127 [0,1,0,0,0,1|2,0,0]=4 883 B8R1.5 CC1COCCC1N AM91481 [0,1,0,0,0,1|1,0,1]=4 884 B8R1.5 CC1COCCC1O AM101521 [0,1,0,0,0,1|1,0,1]=4 885 B8R1.5 CC1COCCC1S AM99651 [0,1,0,0,0,1|1,0,1]=4 886 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,0,0,1|1,0,0]=3 887 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,0,0,1|1,0,0]=3 888 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,0,0,1|1,0,0]=3 889 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,0,0,1|1,0,0]=3 890 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,0,0,1|1,0,0]=3 891 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,0,0,1|1,0,0]=3 892 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,0,0,1|1,0,0]=3 893 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,0,0,1|1,0,0]=3 894 B8R1.5 N[C@@H]1CCOC[C@@H]1F AMY35194 [0,1,0,0,0,1|1,0,1]=4 895 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,1,0,0,0,1|0,0,2]=4 896 B8R1.5 N[C@@H]1CCOC[C@H]1F AMY34428 [0,1,0,0,0,1|1,0,1]=4 897 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,1,0,0,0,1|0,0,2]=4 898 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,1,0,0,0,1|0,0,2]=4 899 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,1,0,0,0,1|1,0,1]=4 900 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,1,0,0,0,1|1,0,1]=4 901 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,0,0,1|1,0,0]=3 902 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,0,0,1|1,0,0]=3 903 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,0,0,1|1,0,0]=3 904 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,1,0,0,0,1|0,0,2]=4 905 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,1,0,0,0,1|0,0,2]=4 906 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,1,0,0,0,1|0,0,2]=4 907 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,1,0,0,0,1|1,0,1]=4 908 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,1,0,0,0,1|1,0,1]=4 909 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,0,0,1|1,0,0]=3 910 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,0,0,1|1,0,0]=3 911 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,0,0,1|1,0,0]=3 912 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,0,0,1|1,0,0]=3 913 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,0,0,1|1,0,0]=3 914 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,0,0,1|1,0,0]=3 915 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,0,0,1|1,0,0]=3 916 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,0,0,1|1,0,0]=3 917 B8R1.5 OC1CCOCC1F AMY34852 [0,1,0,0,0,1|1,0,1]=4 918 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,1,0,0,0,1|1,0,1]=4 919 B8R1.72 CC1(C)CNCCO1 AM20080363 [0,1,0,0,0,1|1,0,1]=4 920 B8R1.72 CC1(C)CNCCO1 AMY34686 [0,1,0,0,0,1|1,0,1]=4 921 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,0,0,1|2,0,0]=4 922 B8R1.72 O=S1(=O)CCNCC1 AM20100461 [0,1,0,0,0,1|2,0,0]=4 923 B8R1.72 O=S1(=O)CCNCC1 AM84924 [0,1,0,0,0,1|2,0,0]=4 924 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,2,0,0,0,0|1,0,0]=3 925 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,2,0,0,0,0|1,0,0]=3 926 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,2,0,0,0,0|1,0,0]=3 927 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,2,0,0,0,0|1,0,0]=3 928 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,2,0,0,0,0|1,0,0]=3 929 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,2,0,0,0,0|1,0,0]=3 930 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,2,0,0,0,0|1,0,0]=3 931 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,2,0,0,0,0|0,0,2]=4 932 B8R1.1 O=C1C=C[C@@H](CO)O1 AMY42490 [0,2,0,0,0,0|0,0,2]=4 933 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,2,0,0,0,0|1,0,0]=3 934 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,2,0,0,0,0|1,0,0]=3 935 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,2,0,0,0,0|1,0,0]=3 936 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,2,0,0,0,0|0,0,0]=2 937 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,2,0,0,0,0|0,0,0]=2 938 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,2,0,0,0,0|1,0,0]=3 939 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,2,0,0,0,0|1,0,0]=3 940 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,2,0,0,0,0|1,0,0]=3 941 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,2,0,0,0,0|1,0,0]=3 942 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,2,0,0,0,0|1,0,0]=3 943 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,2,0,0,0,0|2,0,0]=4 944 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [0,2,0,0,0,0|1,0,0]=3 945 B8R1.7 CC(=O)C1=NCCS1 AMY14187 [0,2,0,0,0,0|1,1,0]=4 946 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,2,0,0,0,0|1,0,1]=4 947 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,2,0,0,0,0|1,0,1]=4 948 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,2,0,0,0,0|1,0,1]=4 949 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,2,0,0,0,0|1,0,1]=4 950 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,2,0,0,0,0|1,0,1]=4 951 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,2,0,0,0,0|1,0,1]=4 952 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [0,2,0,0,0,0|2,0,0]=4 953 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,2,0,0,0,0|0,0,1]=3 954 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [0,2,0,0,0,0|1,0,0]=3 955 B8R1.7 O=C(O)C1=CCNC1 AMY32011 [0,2,0,0,0,0|2,0,0]=4 956 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,2,0,0,0,0|1,0,1]=4 957 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,2,0,0,0,0|1,0,1]=4 958 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,2,0,0,0,0|1,0,1]=4 959 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,2,0,0,0,0|1,0,1]=4 960 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,2,0,0,0,0|1,0,1]=4 961 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,2,0,0,0,0|0,0,1]=3 962 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,2,0,0,0,0|0,0,1]=3 963 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,2,0,0,0,0|0,0,1]=3 964 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,2,0,0,0,0|0,1,1]=4 965 B8R1.7 OB(O)C1=CCCC1 AMY982 [0,2,0,0,0,0|1,0,1]=4 966 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,2,0,0,0,0|1,0,1]=4 967 B8R1.8 O=CCC1CCCC1 AMY18693 [0,2,0,0,0,0|1,0,1]=4 968 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,2,0,0,0,0|1,0,1]=4 969 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,2,0,0,0,0|1,0,1]=4 970 B8R1.11 N#CC1=C(N)CCC1 AM84899 [0,2,0,0,0,0|2,0,0]=4 971 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,2,0,0,0,0|1,0,0]=3 972 B8R1.11 N#C[C@H]1CNCC1=O AM101437 [0,2,0,0,0,0|2,0,0]=4 973 B8R1.11 N#C[C@H]1COCC1=O AMY23756 [0,2,0,0,0,0|2,0,0]=4 974 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,2,0,0,0,0|2,0,0]=4 975 B8R1.11 O=C1CCC=C1CO AMY2077 [0,2,0,0,0,0|1,0,1]=4 976 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,2,0,0,0,0|1,0,0]=3 977 B8R1.52 C[C@@]1(C#N)CCCO1 AMY3382 [0,2,0,0,0,0|1,0,1]=4 978 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,2,0,0,0,0|1,0,1]=4 979 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [0,2,0,0,0,0|0,0,2]=4 980 B8R1.18 CC1=C[C@H](Cl)OC1=O AMY31036 [0,2,0,0,0,0|0,0,2]=4 981 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,2,0,0,0,0|1,0,0]=3 982 B8R1.18 C[C@@H]1NC(=O)OC1=O AM84795 [0,2,0,0,0,0|1,0,1]=4 983 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,2,0,0,0,0|1,0,0]=3 984 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,2,0,0,0,0|0,0,2]=4 985 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,2,0,0,0,0|1,0,1]=4 986 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,2,0,0,0,0|1,0,1]=4 987 B8R1.50 CN1CCN(C)C1=O AMY25786 [0,2,0,0,0,0|2,0,0]=4 988 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,2,0,0,0,0|1,0,0]=3 989 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,2,0,0,0,0|1,0,0]=3 990 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,2,0,0,0,0|0,0,0]=2 991 B8R1.50 O=C1CCC(=O)N1Br AMY24078 [0,2,0,0,0,0|1,0,1]=4 992 B8R1.50 O=C1CCC(=O)N1Cl AMY31063 [0,2,0,0,0,0|1,0,1]=4 993 B8R1.50 O=C1CCC(=O)N1I AM20100260 [0,2,0,0,0,0|1,0,1]=4 994 B8R1.50 O=C1CCC(=O)N1O AM83849 [0,2,0,0,0,0|1,0,1]=4 995 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,2,0,0,0,0|0,0,1]=3 996 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,2,0,0,0,0|1,0,1]=4 997 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,2,0,0,0,0|1,0,0]=3 998 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,2,0,0,0,0|1,0,0]=3 999 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,2,0,0,0,0|1,0,0]=3 1000 B8R1.51 CC1=NC(C)(C)CO1 AMY3877 [0,2,0,0,0,0|2,0,0]=4 1001 B8R1.51 C[C@@H]1COS(=O)(=O)O1 AMY30214 [0,2,0,0,0,0|2,0,0]=4 1002 B8R1.51 C[C@H]1CCS(=O)(=O)O1 AMY1253 [0,2,0,0,0,0|1,0,0]=3 1003 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 AMY37457 [0,2,0,0,0,0|2,0,0]=4 1004 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AM85058 [0,2,0,0,0,0|2,0,0]=4 1005 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AMY37458 [0,2,0,0,0,0|2,0,0]=4 1006 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,2,0,0,0,0|1,0,0]=3 1007 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,2,0,0,0,0|1,0,0]=3 1008 B8R1.19 CC1(C)CCNC1=O AMY23821 [0,2,0,0,0,0|1,0,0]=3 1009 B6R1.11 CC(=O)C1CC1 AM83286 [0,0,1,1,0,0|1,0,0]=3 1010 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,1,1,0,0|1,0,1]=4 1011 B6R1.11 N=C(N)C1CC1 AM804064 [0,0,1,1,0,0|2,0,0]=4 1012 B6R1.11 N=C(N)C1CC1 AMY202003285 [0,0,1,1,0,0|2,0,0]=4 1013 B6R1.11 NC(=O)C1CC1 AM20100524 [0,0,1,1,0,0|1,0,0]=3 1014 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,0,1,1,0,0|2,0,0]=4 1015 B6R1.11 NC(=S)C1CC1 AMY30195 [0,0,1,1,0,0|1,1,0]=4 1016 B6R1.11 O=C(Cl)C1CC1 AMY3975 [0,0,1,1,0,0|1,0,0]=3 1017 B6R1.11 O=C(O)C1CC1 AM83282 [0,0,1,1,0,0|0,0,0]=2 1018 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,0,1,1,0,0|1,0,1]=4 1019 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [0,0,1,1,0,0|1,0,1]=4 1020 B6R1.11 OB(O)C1CC1 AM20100093 [0,0,1,1,0,0|1,0,1]=4 1021 B6R1.1 C1=CCCCC1 AMY17792 [0,0,1,1,0,0|2,0,0]=4 1022 B6R1.1 C1=CCOCC1 AM9907 [0,0,1,1,0,0|1,0,1]=4 1023 B6R1.1 C1=COCCC1 AMY39440 [0,0,1,1,0,0|1,0,0]=3 1024 B6R1.1 C1=NCCCN1 AMY22014 [0,0,1,1,0,0|2,0,0]=4 1025 B6R1.1 C1CCOCC1 AMY8873 [0,0,1,1,0,0|1,0,1]=4 1026 B6R1.1 C1CCONC1 AM804032 [0,0,1,1,0,0|1,0,1]=4 1027 B6R1.1 C1CCONC1 AMY42463 [0,0,1,1,0,0|1,0,1]=4 1028 B6R1.1 C1CNCOC1 AMY28616 [0,0,1,1,0,0|1,0,1]=4 1029 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,1,0,1|1,0,1]=4 1030 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,1,0,1|1,0,1]=4 1031 B8R2.23 C1OCC2CC1N2 AM803637 [0,0,0,1,0,1|1,0,1]=4 1032 B8R2.25 C1CC2OC2CO1 AMY11235 [0,0,0,1,0,1|0,0,2]=4 1033 B8R2.34 C1OC2CNC1C2 AMY33619 [0,0,0,1,0,1|1,0,1]=4 1034 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [0,0,0,1,0,1|1,0,1]=4 1035 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [0,0,0,1,0,1|1,0,1]=4 1036 B4R1.1 C1CNC1 AM20080889 [1,0,0,0,1,0|1,0,0]=3 1037 B4R1.1 C1CNC1 AM20090583 [1,0,0,0,1,0|1,0,0]=3 1038 B4R1.1 C1COC1 AM20020039 [1,0,0,0,1,0|0,0,0]=2 1039 B4R1.2 BrC1CC1 AM90210 [0,0,0,0,2,0|1,0,1]=4 1040 B4R1.2 C[C@H]1CO1 AM81470 [0,0,0,0,2,0|1,0,1]=4 1041 B4R1.2 C[C@H]1CO1 AM81471 [0,0,0,0,2,0|1,0,1]=4 1042 B4R1.2 NC1CC1 AM804333 [0,0,0,0,2,0|1,0,1]=4 1043 B4R1.2 OC1CC1 AMY35209 [0,0,0,0,2,0|0,0,2]=4 1044 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,0,0,2|1,0,1]=4 1045 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,0,0,2|1,0,0]=3 1046 B8R1.22 O=C1CCCCCN1 AM802872 [0,0,0,0,0,2|1,0,0]=3 1047 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,0,0,2|1,0,0]=3 1048 B8R1.22 O=C1CCNCCN1 AM20090172 [0,0,0,0,0,2|1,0,0]=3 1049 B8R1.22 O=C1CCNCCN1 AM85736 [0,0,0,0,0,2|1,0,0]=3 1050 B8R1.22 O=C1CNCCCN1 AM804637 [0,0,0,0,0,2|1,0,0]=3