0 B5R0.1 C(CF)C(=O)O WX610266 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.1 CC(=O)CNC WX600212 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 CC(=O)\C=N\O WX690228 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(C)CNN WX684055 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(CNN)O WX684013 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(CNN)O WX684431 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CCCC(=N)N WX619909 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 C[C@H](CC=C)O WX685032 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 C(=C\N)/C=O WXC00375 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.2 C=CCNN WX684058 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 CNCCCl WX600220 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCNC(=O)CCl WX630212 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 CNC(=O)CC#N WX619018 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 CNCC(=O)NC WX600331 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.2 C[C@@H](CC(=O)O)N WX665057 [0,1,0,0,0,0|0,0,0]=1 16 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.3 C([C@H](C(=O)N)N)O WX665005 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.3 CNC(=O)C(=O)O WXC01945 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.4 CC(=C)CCCBr WX630324 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.4 CC(=C)CCCO WX640339 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.5 CC(C)(C)CCN WXC00272 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.5 CS(=O)(=O)CCCl WX630255 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.5 CS(=O)(=O)CCN WX600129 [0,1,0,0,0,0|1,0,1]=3 24 B6R1.2 C1CNCC1F WX604452 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.2 C1CNCC1O WX642147 [0,0,0,1,0,0|1,0,1]=3 26 B6R1.2 C1COC[C@@H]1O WX642080 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 C1CSCC1O WX642050 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 CC1CCNC1 WX604072 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 CC1CCNC1 WX604545 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.5 C1C(CC1F)N WX600329 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.5 C1C(CC1O)N WX600008 [0,0,0,1,0,0|1,0,1]=3 32 B6R1.5 CC1CC(C1)N WX600002 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.8 C[C@@H]1C[C@H]1CN WX601406 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.9 C1C(C1(F)F)N WX601170 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.11 B(C1CC1)(O)O WX658003 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.11 C1CC1C(=N)N WX619908 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.11 C1CC1C(=N)N WX684410 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.11 CC(C1CC1)O WX642143 [0,0,0,1,0,0|2,0,1]=4 39 B5R0.3 C(C(=O)NN)O WX684421 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.4 CC(C)(CN)O WX600104 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.5 CC(C(=N)N)O WX619923 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.2 C#CCCCN WX600312 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.2 C(CN)CNN WX684011 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.2 C(CNN)CO WX684063 [1,1,0,0,0,0|0,0,1]=3 45 B5R0.2 COCCNN WX684059 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.3 COC(=O)CCCN WX600050 [0,2,0,0,0,0|0,0,0]=2 47 B7R0.5 C(CN)[C@@H](C(=O)O)N WX665073 [0,2,0,0,0,0|0,0,0]=2 48 B7R0.7 CCOC(=O)CCN WX600219 [0,2,0,0,0,0|0,0,0]=2 49 B7R0.4 CC(=O)NCCCO WXC04434 [0,2,0,0,0,0|2,0,0]=4 50 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,1,0,0|1,0,0]=3 51 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,1,0,0|2,0,0]=4 52 B5R1.2 C1C(CN1)O WX604205 [1,0,0,1,0,0|1,0,1]=4 53 B5R1.2 C1CC(C1)O WX642079 [1,0,0,1,0,0|1,0,1]=4 54 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,1,0,0|1,0,1]=4 55 B5R1.1 C1CNOC1 WX604361 [1,0,0,1,0,0|0,0,1]=3 56 B7R1.1 C1CNCC1CO WX640045 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.1 COC1CCNC1 WX604634 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.2 C1C(COC1=O)N WXC01359 [0,1,0,1,0,0|0,0,0]=2 59 B7R1.2 C1C[C@@H](C[C@@H]1N)O WX600013 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.2 C1C[C@@H](C[C@H]1N)O WX600233 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600015 [0,1,0,1,0,0|1,0,1]=4 62 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600109 [0,1,0,1,0,0|1,0,1]=4 63 B7R1.2 C1C[C@H](C[C@@H]1N)O WX600355 [0,1,0,1,0,0|1,0,1]=4 64 B7R1.2 C1C[C@H](C[C@H]1N)O WX600108 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.2 C1C[C@H](C[C@H]1N)O WX600234 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.2 CN1CCC(C1)O WX642149 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.2 C[C@@H]1C[C@@H](CN1)O WX601206 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.2 C[C@@H]1C[C@H](CN1)O WX601205 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.3 C1CC(=O)COC1 WX625057 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.3 C1CNC(=O)CN1 WX604543 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.3 C1CNCCC1=O WX604552 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.3 C1COC(=O)C=C1 WX685450 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.3 C1C[C@H](CNC1)O WX604192 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [0,1,0,1,0,0|0,0,1]=3 78 B7R1.4 C1COC(=O)C1N WXC03217 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.4 C1[C@@H]([C@H](CN1)F)O WX601067 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.4 C1[C@H]([C@H](CN1)F)O WX601096 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 CC1CNCC1O WX642148 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.4 C[C@H]1CNC[C@@H]1O WX642072 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.4 C[C@H]1CNC[C@H]1O WX601066 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.10 C1C(CC1=O)C#N WX683078 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.22 CCC(=O)C1CC1 WX625032 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.12 C1[C@H]([C@@H]1F)C(=O)O WX610333 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.12 C1[C@H]([C@H]1F)C(=O)O WX610334 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.12 CC1CC1C(=O)O WX610273 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.16 C1C(CS1(=O)=O)N WX600319 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.19 C1CC1(C(=O)N)N WX600316 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.19 C1CC1(C(=O)O)F WXFC0175 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.19 CC(=O)C1(CC1)F WX625133 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.14 C1CNS(=O)(=O)C1 WX682943 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.14 CC1(CCNC1)O WX644011 [0,1,0,1,0,0|1,0,1]=4