0 B5R0.1 C(CF)C(=O)O WX610266 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(=O)CNC WX600212 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(C)CNN WX684055 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CC(CNN)O WX684013 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(CNN)O WX684431 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CCCC(=N)N WX619909 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C[C@H](CC=C)O WX685032 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.2 C=CCNN WX684058 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.2 CNCCCl WX600220 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 CC(C)C(=N)NO WX619096 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.3 CC(C)C(=O)NN WX684019 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.3 CC(C)\C(=N\O)\N WX690138 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.3 CN(C)C(=O)CI WX630194 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(=C)CCCBr WX630324 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.4 CC(=C)CCCO WX640339 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.5 CC(C)(C)CCN WXC00272 [0,1,0,0,0,0|0,0,0]=1 19 B6R0.5 CC(C)(CNC)O WXC03436 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.5 CS(=O)(=O)CCCl WX630255 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.5 CS(=O)(=O)CCN WX600129 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.2 C1CNCC1F WX604452 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.2 C1CNCC1O WX642147 [0,0,0,1,0,0|1,0,0]=2 24 B6R1.2 C1COCC1I WX630128 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.2 C1COCC1N WX604190 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.2 C1COC[C@H]1N WX604612 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.2 C1CSCC1O WX642050 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 CC1CCCN1 WX604546 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 CC1CCNC1 WX604072 [0,0,0,1,0,0|0,0,0]=1 31 B6R1.2 CC1CCNC1 WX604545 [0,0,0,1,0,0|0,0,0]=1 32 B6R1.3 C1CC1NC=O WX620003 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.3 CNCC1CC1 WX600339 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.5 C1C(CC1F)N WX600329 [0,0,0,1,0,0|1,0,0]=2 35 B6R1.5 C1C(CC1O)N WX600008 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.5 CC1CC(C1)N WX600002 [0,0,0,1,0,0|0,0,0]=1 37 B6R1.5 CN1CC(C1)O WX642063 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.5 CN1CC(C1)O WX642150 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.8 CC1CC1CO WX640291 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,0,0,1,0,0|0,0,0]=1 41 B6R1.8 C[C@H]1C[C@@H]1CO WX641112 [0,0,0,1,0,0|1,0,0]=2 42 B6R1.9 C1C(C1(F)F)N WX601170 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.10 CC1(CCC1)N WXC00635 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.10 CC1(CNC1)F WX604673 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.10 CC1(CNC1)O WX604685 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.11 CC(C1CC1)O WX642143 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.11 C[C@@H](C1CC1)N WX600160 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.11 C[C@H](C1CC1)N WX600040 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.11 C[C@H](C1CC1)N WXC03224 [0,0,0,1,0,0|2,0,0]=3 50 B5R0.3 CC(CN)CCl WX600337 [1,1,0,0,0,0|0,0,0]=2 51 B5R0.3 CCC(C)NN WX684015 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.3 CC[C@H](C)C#C WXC02726 [1,1,0,0,0,0|0,0,1]=3 53 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|0,0,0]=2 54 B5R0.4 CC(CN)(F)F WX600332 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 CC(C(=N)N)O WX619923 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.5 CN(C)C(=N)N WX619912 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.5 CN(C)C(=N)N WX619935 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.2 C#CCCCN WX600312 [1,1,0,0,0,0|0,0,1]=3 59 B5R0.2 C(CN)CNN WX684011 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.2 C(CNN)CO WX684063 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.2 COCCNN WX684059 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.2 CC(C)C[C@H](CO)N WX600172 [0,2,0,0,0,0|0,0,0]=2 63 B7R0.3 COC(=O)CCCN WX600050 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.5 CC(C)C(COC)N WX600059 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.7 CCOC(=O)CCN WX600219 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.14 CCC(=O)C(C)(C)C WX625148 [0,2,0,0,0,0|1,0,1]=4 68 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,1,0,0|1,0,1]=4 69 B5R1.2 C1C(CN1)F WX604199 [1,0,0,1,0,0|1,0,0]=3 70 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,0]=3 71 B5R1.2 C1C(CO1)N WX604200 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|1,0,0]=3 73 B5R1.2 CC1CCN1 WX604557 [1,0,0,1,0,0|1,0,0]=3 74 B5R1.2 CC1CNC1 WX604558 [1,0,0,1,0,0|0,0,0]=2 75 B5R1.3 C1CC1CO WX640290 [1,0,0,1,0,0|1,0,0]=3 76 B5R1.3 C1CC1NN WXC03921 [1,0,0,1,0,0|1,0,0]=3 77 B5R1.3 CNC1CC1 WX600338 [1,0,0,1,0,0|1,0,0]=3 78 B5R1.3 CNC1CC1 WX604563 [1,0,0,1,0,0|1,0,0]=3 79 B5R1.4 CC1CC1N WX604181 [1,0,0,1,0,0|0,0,0]=2 80 B5R1.4 CC1CC1N WX604564 [1,0,0,1,0,0|0,0,0]=2 81 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [1,0,0,1,0,0|0,0,0]=2 82 B5R1.5 CC1(CC1)N WX600041 [1,0,0,1,0,0|1,0,0]=3 83 B5R1.5 CC1(CC1)N WX604565 [1,0,0,1,0,0|1,0,0]=3 84 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,1,0,0|0,0,2]=4 85 B5R1.1 C1CNOC1 WX604361 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.1 C1CC(NC1)CO WX640259 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.1 C1CCC(C1)CN WX600042 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.1 C1CCC(C1)NN WX684010 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.1 C1CNCC1CO WX640045 [0,1,0,1,0,0|0,0,0]=2 90 B7R1.1 C1COCC1C#N WX684050 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.1 CN[C@@H]1CCNC1 WX600300 [0,1,0,1,0,0|0,0,0]=2 92 B7R1.1 COC1CCNC1 WX604634 [0,1,0,1,0,0|0,0,0]=2 93 B7R1.2 C1C(COC1=O)N WXC01359 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.2 C1C[C@H](C[C@@H]1N)F WX601024 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,1,0,1,0,0|1,0,0]=3 99 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.2 C1C[C@H](C[C@H]1N)F WX601025 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,1,0,1,0,0|0,0,1]=3 105 B7R1.2 CN1CCC(C1)N WX604198 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.2 CN1CCC(C1)O WX642149 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.2 C[C@@H]1C[C@@H](CN1)F WX601109 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.2 C[C@@H]1C[C@H](CN1)F WX601363 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.3 C1CC(COC1)O WX642095 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 C1CCC(CC1)N WX604566 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.3 C1CNC(=O)CN1 WX604543 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.3 C1CNCCC1=O WX604552 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.3 C1COCCC1I WXC01153 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.3 C1COCCC1N WX604186 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.3 C1CSCCC1O WXC04166 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.3 C1C[C@H](CNC1)O WX604192 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.3 CC1CNCCO1 WX604548 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.3 CC1COCCN1 WX604493 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.3 C[C@@H]1COCCN1 WX604100 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.3 C[C@H]1COCCN1 WX604204 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.4 C1[C@@H]([C@H](CN1)F)O WX601067 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.4 C1[C@@H]([C@H](CO1)O)N WX604241 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.4 C1[C@H]([C@@H](CN1)F)F WX601098 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.4 C1[C@H]([C@@H](CO1)F)O WX641036 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.4 C1[C@H]([C@@H](CO1)O)N WX601208 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.4 C1[C@H]([C@H](CN1)F)F WX604101 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.4 C1[C@H]([C@H](CN1)F)O WX601096 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.4 C1[C@H]([C@H](CO1)F)N WXC03777 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|0,0,0]=2 135 B7R1.4 C[C@@H]1CNC[C@@H]1F WX601185 [0,1,0,1,0,0|0,0,0]=2 136 B7R1.4 C[C@@H]1[C@@H](CCO1)N WX601243 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.4 C[C@H]1CCC[C@H]1N WX601120 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|0,0,0]=2 141 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|0,0,0]=2 142 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.6 CCOC1CNC1 WX604521 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.6 COCC1CNC1 WXC03060 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.10 C1C(CC1F)CO WXFC0195 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.10 CC1CC(C1)CN WX600107 [0,1,0,1,0,0|0,0,0]=2 148 B7R1.10 CC1CC(C1)NC WX600326 [0,1,0,1,0,0|0,0,0]=2 149 B7R1.10 CCN1CC(C1)O WX642134 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.22 CCC(=O)C1CC1 WX625032 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.25 CC1(CNC1)CO WX601290 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.25 CC1(CNC1)OC WX601305 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.25 CC1(COC1)CN WX603082 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.12 CC1CC1C(=O)O WX610273 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.16 C1C(CC1(F)F)N WXFC0165 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.16 C1C(CS1(=O)=O)N WX600319 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.18 CN(C)C1CNC1 WX604042 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.14 C1CNCC1(F)F WX604443 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.14 CC1(CCCN1)C WX601048 [0,1,0,1,0,0|0,0,0]=2 161 B7R1.14 CC1(CCCN1)C WX604492 [0,1,0,1,0,0|0,0,0]=2 162 B7R1.14 CC1(CCNC1)O WX644011 [0,1,0,1,0,0|0,0,0]=2 163 B7R1.26 CC(C)(C1CC1)N WX600264 [0,1,0,1,0,0|1,0,0]=3 164 B7R2.5 C1C2CC1(C2)N WX601023 [0,0,0,2,0,0|0,0,0]=2