0 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 C1COC(=O)C1N WXC03217 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 C1C[C@H]([C@@H](C1)O)N WX604346 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.4 CC1CNCC1O WX642148 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 C[C@@H]1CNC[C@@H]1F WX601185 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.4 C[C@@H]1[C@@H](CCO1)N WX601243 [0,0,0,0,0,0|1,1,1]=3 7 B7R1.4 C[C@H]1CCC[C@@H]1O WX641033 [0,0,0,0,0,0|1,0,2]=3 8 B7R1.4 C[C@H]1CCC[C@H]1N WX601120 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.4 C[C@H]1CCC[C@H]1O WX641034 [0,0,0,0,0,0|1,0,2]=3 10 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 C[C@H]1COC[C@@H]1O WX641037 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.4 C[C@H]1COC[C@H]1O WX641035 [0,0,0,0,0,0|2,0,2]=4 14 B6R1.2 C1CNCC1F WX604452 [1,0,0,0,0,0|2,0,1]=4 15 B6R1.2 C1CNCC1O WX642147 [1,0,0,0,0,0|1,0,2]=4 16 B6R1.2 C1COCC1I WX630128 [1,0,0,0,0,0|1,1,1]=4 17 B6R1.2 C1COCC1N WX604190 [1,0,0,0,0,0|1,1,1]=4 18 B6R1.2 C1COC[C@@H]1O WX642080 [1,0,0,0,0,0|0,1,2]=4 19 B6R1.2 C1COC[C@H]1N WX604612 [1,0,0,0,0,0|1,1,1]=4 20 B6R1.2 C1CSCC1O WX642050 [1,0,0,0,0,0|0,0,2]=3 21 B6R1.2 CC1CCCN1 WX604546 [1,0,0,0,0,0|1,0,1]=3 22 B6R1.2 CC1CCNC1 WX604072 [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 CC1CCNC1 WX604545 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.11 C1C[C@H]([C@@H](C1)F)CN WX601360 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.11 C1C[C@H]([C@@H](C1)F)CO WX641070 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.11 CC1CCCC1CO WX641030 [0,1,0,0,0,0|1,0,2]=4 27 B8R1.11 C[C@@H]1[C@@H](CCN1)CO WX601201 [0,1,0,0,0,0|1,0,2]=4 28 B8R1.11 C[C@@H]1[C@@H](CCO1)CN WX601242 [0,1,0,0,0,0|1,1,1]=4 29 B8R1.11 C[C@@H]1[C@@H](CCO1)CO WX641071 [0,1,0,0,0,0|0,1,2]=4 30 B8R1.19 CC1(CCNC1=O)C WXC04335 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.19 CC1(CCNC1=S)C WXC04336 [0,1,0,0,0,0|2,1,0]=4 32 B8R1.50 C1CC(=O)C(C1=O)Br WXC04141 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.50 CC1=C(COC1=O)O WX685432 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.50 CN1C(=O)CNC1=O WX604660 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CCNC(=O)CCl WX630212 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.1 CNC(=O)CC#N WX619018 [0,0,1,0,0,0|2,0,1]=4 37 B6R0.1 CNCC(=O)NC WX600331 [0,0,1,0,0,0|3,0,0]=4 38 B6R0.3 CC(C)C(=O)NN WX684019 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.3 CN(C)C(=O)CI WX630194 [0,0,1,0,0,0|3,0,0]=4 40 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,0,0,0,0,1|1,0,0]=2 41 B8R1.4 CC1CCCC(C1)N WX604179 [0,0,0,0,0,1|2,0,1]=4 42 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,0,0,0,0,1|2,0,0]=3 43 B8R1.5 C1COCC(C1=O)F WX630310 [0,0,0,0,0,1|1,1,0]=3 44 B8R1.5 CC1CCCCC1N WX604568 [0,0,0,0,0,1|2,0,1]=4 45 B8R1.5 CC1CNCCC1=O WX604251 [0,0,0,0,0,1|1,0,0]=2 46 B8R1.5 CC1CNCCC1=O WX604554 [0,0,0,0,0,1|1,0,0]=2 47 B8R1.5 CC1CNCCC1O WX604250 [0,0,0,0,0,1|1,0,2]=4 48 B8R1.5 CN1CCNCC1=O WX604203 [0,0,0,0,0,1|2,0,0]=3 49 B8R1.5 C[C@@H]1CCNC[C@@H]1O WX601322 [0,0,0,0,0,1|1,0,2]=4 50 B8R1.5 C[C@@H]1CCNC[C@H]1F WX601381 [0,0,0,0,0,1|2,0,1]=4 51 B8R1.5 C[C@@H]1CCNC[C@H]1O WX601320 [0,0,0,0,0,1|1,0,2]=4 52 B5R0.1 C(CF)C(=O)O WX610266 [1,0,1,0,0,0|2,0,0]=4 53 B5R0.1 CC(=O)CNC WX600212 [1,0,1,0,0,0|1,0,0]=3 54 B5R0.3 CCC(C)NN WX684015 [1,0,1,0,0,0|2,0,0]=4 55 B5R0.3 CC[C@H](C)C#C WXC02726 [1,0,1,0,0,0|1,0,1]=4 56 B5R1.1 C1C=CCN1 WXC02554 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.3 COC(=O)CCCN WX600050 [0,1,1,0,0,0|2,0,0]=4 58 B7R0.7 CCOC(=O)CCN WX600219 [0,1,1,0,0,0|1,0,0]=3 59 B7R0.11 CCS(=O)(=O)CCCl WX630285 [0,1,1,0,0,0|2,0,0]=4 60 B7R0.14 CCC(=O)C(C)(C)C WX625148 [0,1,1,0,0,0|1,0,0]=3 61 B7R1.1 C1CC(NC1)CO WX640259 [1,1,0,0,0,0|1,0,1]=4 62 B7R1.1 C1CCC(C1)CN WX600042 [1,1,0,0,0,0|1,0,1]=4 63 B7R1.2 C1C(COC1=O)N WXC01359 [1,1,0,0,0,0|2,0,0]=4 64 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [1,1,0,0,0,0|2,0,0]=4 65 B7R1.2 CC1CC(=O)NC1 WXC00781 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.2 C[C@@H]1C[C@@H](CN1)F WX601109 [1,1,0,0,0,0|1,0,1]=4 67 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [1,1,0,0,0,0|1,0,1]=4 68 B7R1.2 C[C@@H]1C[C@H](CN1)F WX601363 [1,1,0,0,0,0|1,0,1]=4 69 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [1,1,0,0,0,0|1,0,1]=4 70 B7R1.14 CC1(CCCN1)C WX601048 [1,1,0,0,0,0|1,0,1]=4 71 B7R1.14 CC1(CCCN1)C WX604492 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.2 C1CNC(=O)CC1CN WX600136 [0,1,0,0,0,1|2,0,0]=4 73 B9R1.2 C1CNC(=O)CC1CN WX600354 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.40 C1CC(C(=O)NC1)(Br)Br WXC00715 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.33 C1CC(=O)N(C1)CCCl WX630020 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.41 CC1CCCC1C(=O)O WX611680 [0,2,0,0,0,0|1,0,1]=4 77 B9R1.41 C[C@H]1[C@H](CCO1)C(=O)O WX611127 [0,2,0,0,0,0|0,1,1]=4 78 B7R1.3 C1CC(=O)COC1 WX625057 [0,0,1,1,0,0|2,0,0]=4 79 B7R1.3 C1CNCCC1=O WX604552 [0,0,1,1,0,0|1,0,0]=3 80 B7R1.3 C1CSCCC1O WXC04166 [0,0,1,1,0,0|0,0,2]=4 81 B7R1.22 CCC(=O)C1CC1 WX625032 [0,0,1,1,0,0|1,0,0]=3 82 B7R1.12 CC1CC1C(=O)O WX610273 [0,0,1,1,0,0|2,0,0]=4 83 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,0,1,1,0,0|2,0,0]=4 84 B7R1.19 CC(=O)C1(CC1)F WX625133 [0,0,1,1,0,0|2,0,0]=4 85 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,0,1,1,0,0|2,0,0]=4 86 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,0,1,0|1,0,0]=3 87 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,0,1,0|0,1,0]=3 88 B5R1.2 C1CC(C1)O WX642079 [1,0,0,0,1,0|0,0,2]=4 89 B5R1.2 CC1CCN1 WX604557 [1,0,0,0,1,0|1,0,0]=3 90 B5R1.2 CC1CNC1 WX604558 [1,0,0,0,1,0|1,0,1]=4 91 B5R1.4 CC1CC1N WX604181 [0,0,0,0,2,0|1,0,1]=4 92 B5R1.4 CC1CC1N WX604564 [0,0,0,0,2,0|1,0,1]=4 93 B5R1.4 C[C@@H]1C[C@H]1N WX601308 [0,0,0,0,2,0|1,0,1]=4 94 B9R1.49 CN1CCCC(=O)CC1 WX625013 [0,0,0,0,0,2|2,0,0]=4 95 B9R1.5 C1CC(=O)C(CNC1)F WX601133 [0,0,0,0,0,2|2,0,0]=4 96 B9R1.5 C1CC(C(=O)CNC1)F WX601127 [0,0,0,0,0,2|2,0,0]=4 97 B9R1.5 C1CCNC(=O)[C@H](C1)N WX604515 [0,0,0,0,0,2|2,0,0]=4 98 B9R1.5 C1CNCCC(=O)C1F WX601136 [0,0,0,0,0,2|2,0,0]=4 99 B9R1.5 CC1C(=O)NCCCO1 WX619938 [0,0,0,0,0,2|0,1,0]=3 100 B9R1.5 CC1CCNCCC1=O WX601215 [0,0,0,0,0,2|1,0,0]=3 101 B9R1.5 CC1CNCCCC1=O WX601218 [0,0,0,0,0,2|1,0,0]=3