0 B7R1.2 C1C(=CC(=O)O1)Br WXC00644 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 C1C(COC1=O)N WXC01359 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 C1[C@@H](CNC1=O)O WX650011 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 CC1CC(=O)NC1 WXC00781 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.2 CN1CCC(C1)N WX604198 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CN1CCC(C1)O WX642149 [0,0,0,0,0,0|1,0,3]=4 6 B7R1.2 Cc1[nH]cc(n1)Br WX637072 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 Cc1[nH]cc(n1)I WXC02628 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 Cc1cc([nH]n1)Br WX637077 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 Cc1cc(n[nH]1)Br WX637032 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 Cc1cc(n[nH]1)N WX609469 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 Cc1cc(no1)Br WX637320 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 Cc1cc(on1)N WX606001 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 Cc1cc(sn1)Br WX637331 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 Cc1cn(cn1)C WX690226 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 Cc1cnc([nH]1)I WX638055 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 Cc1cnc(o1)N WX606013 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 Cc1cnc(s1)Br WX637317 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 Cc1cnc(s1)N WX609460 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 Cc1coc(n1)N WX609465 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 Cc1csc(n1)Br WX637318 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 Cc1csc(n1)Cl WX636051 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 Cc1csc(n1)N WX609462 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 Cc1nc(sn1)Br WX637380 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 Cc1nc(sn1)N WX609094 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 Cc1nnc(o1)N WX606089 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 Cc1nnc(s1)Br WX637004 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 Cn1cc(cn1)I WX638028 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 Cn1cc(cn1)N WX609216 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 Cn1cc(cn1)N WX609487 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.2 Cn1cc(nc1)Br WX637313 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 Cn1cc(nc1)I WX638025 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.2 Cn1cc(nc1)N WX609477 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 c1([nH]c(=O)[nH]n1)N WX609091 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 CC1CCCN1 WX604546 [1,0,0,0,0,0|1,0,2]=4 35 B6R1.2 CC1CCNC1 WX604072 [1,0,0,0,0,0|1,0,2]=4 36 B6R1.2 CC1CCNC1 WX604545 [1,0,0,0,0,0|1,0,2]=4 37 B6R1.2 c1c[nH]nc1Br WX637314 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 c1c[nH]nc1I WX638030 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 c1c[nH]nc1N WX609466 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 c1conc1N WX609463 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 C1C(COC1=O)CO WX640247 [0,1,0,0,0,0|1,0,2]=4 42 B8R1.1 C1CC(=O)CC1C#N WX683083 [0,1,0,0,0,0|0,0,3]=4 43 B8R1.1 C1CC(=O)O[C@H]1CO WX640049 [0,1,0,0,0,0|1,0,1]=3 44 B8R1.1 CCC1COC(=O)N1 WX619211 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.1 CCc1cc(no1)N WX609361 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 Cc1[nH]c(cn1)C=O WX624179 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.1 Cc1cc([nH]n1)C=O WX624022 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.1 Cc1cc([nH]n1)CO WX640223 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.1 Cc1cc([nH]n1)CO WX640340 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.1 Cc1cc(no1)C=O WX624054 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.1 Cc1cc(no1)CCl WX630329 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 Cc1cc(no1)CN WX603005 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 Cc1cc(no1)CO WX640214 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.1 Cc1cc(sc1)C=O WX624184 [0,1,0,0,0,0|1,0,1]=3 55 B8R1.1 Cc1cc(sc1)CN WX609034 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 Cc1cc(sc1)CO WX640133 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.1 Cc1ccc([nH]1)C=O WX624113 [0,1,0,0,0,0|1,0,2]=4 58 B8R1.1 Cc1ccc(s1)C=O WX624186 [0,1,0,0,0,0|1,0,2]=4 59 B8R1.1 Cc1csc(n1)C=O WX624189 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.1 Cn1cc(cn1)C=O WX624070 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.18 Cc1cc(n(n1)C)I WX638066 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.18 Cc1cc(nn1C)N WX609107 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.50 C1C(=C(C(=O)O1)Br)Br WXC00617 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.50 C1CC(=O)C(C1=O)Br WXC04141 [0,1,0,0,0,0|1,0,1]=3 65 B8R1.50 CC1=C(COC1=O)O WX685432 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.50 CN1C(=O)CNC1=O WX604660 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.50 Cc1c(c(n[nH]1)N)Br WX609302 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.50 Cc1c(onc1N)C WXC03705 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.51 C1CS(=O)(=O)CC1=O WX625144 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 CCNC(=O)CCl WX630212 [0,0,1,0,0,0|2,0,1]=4 71 B6R0.1 CNCC(=O)NC WX600331 [0,0,1,0,0,0|2,0,1]=4 72 B6R0.2 C\C(=C\C(=O)O)\I WXC02281 [0,0,1,0,0,0|2,0,0]=3 73 B6R0.4 CC(=C)CCCBr WX630324 [0,0,1,0,0,0|1,0,1]=3 74 B6R0.4 CC(=C)CCCO WX640339 [0,0,1,0,0,0|0,0,2]=3 75 B8R2.18 C1[C@H]2[C@@H]1CC(=O)C2 WXC00264 [0,0,0,1,0,0|0,0,2]=3 76 B8R1.3 Cc1ccc(cc1)O WX645079 [0,0,0,0,0,1|0,0,3]=4 77 B8R1.3 Cc1ccc(cn1)N WX609427 [0,0,0,0,0,1|1,0,2]=4 78 B8R1.3 Cc1ccc(cn1)O WX649092 [0,0,0,0,0,1|0,0,3]=4 79 B8R1.3 Cc1ccc(nc1)Br WX637311 [0,0,0,0,0,1|1,0,2]=4 80 B8R1.3 Cc1ccc(nc1)O WX649096 [0,0,0,0,0,1|0,0,3]=4 81 B8R1.3 Cc1cnc(cn1)Cl WX636238 [0,0,0,0,0,1|2,0,1]=4 82 B8R1.3 Cc1cnc(cn1)N WX606073 [0,0,0,0,0,1|2,0,1]=4 83 B8R1.3 Cc1cnc(cn1)N WX609221 [0,0,0,0,0,1|2,0,1]=4 84 B8R1.3 Cc1cnc(nc1)O WX645028 [0,0,0,0,0,1|1,0,2]=4 85 B8R1.3 Cc1ncc(cn1)Br WX637043 [0,0,0,0,0,1|2,0,1]=4 86 B8R1.4 CC1CC(=O)CCN1 WX604553 [0,0,0,0,0,1|0,0,2]=3 87 B8R1.4 CC1CNCC(=O)N1 WX604173 [0,0,0,0,0,1|1,0,1]=3 88 B8R1.4 Cc1cc(ccn1)O WX645022 [0,0,0,0,0,1|0,0,3]=4 89 B8R1.4 Cc1cc(cnc1)N WX609450 [0,0,0,0,0,1|1,0,2]=4 90 B8R1.4 Cc1cc(cnc1)O WX649090 [0,0,0,0,0,1|0,0,3]=4 91 B8R1.4 Cc1cc(ncn1)Cl WX636233 [0,0,0,0,0,1|2,0,1]=4 92 B8R1.4 Cc1cc(ncn1)N WX609382 [0,0,0,0,0,1|2,0,1]=4 93 B8R1.4 Cc1cc(ncn1)O WX645020 [0,0,0,0,0,1|1,0,2]=4 94 B8R1.4 Cc1cccc(c1)O WX645080 [0,0,0,0,0,1|0,0,3]=4 95 B8R1.4 Cc1ccnc(c1)Cl WX636229 [0,0,0,0,0,1|1,0,2]=4 96 B8R1.4 Cc1ccnc(c1)O WX649095 [0,0,0,0,0,1|0,0,3]=4 97 B8R1.4 c1c(cn[nH]c1=O)Cl WX636243 [0,0,0,0,0,1|2,0,1]=4 98 B5R0.1 C(CF)C(=O)O WX610266 [1,0,1,0,0,0|2,0,0]=4 99 B5R0.1 CC(=O)CNC WX600212 [1,0,1,0,0,0|1,0,1]=4 100 B5R0.1 CC(=O)\C=N\O WX690228 [1,0,1,0,0,0|2,0,0]=4 101 B5R0.1 CCCC(=N)N WX619909 [1,0,1,0,0,0|2,0,0]=4 102 B5R0.2 CCO\C=C/Br WX630081 [1,0,1,0,0,0|2,0,0]=4 103 B5R1.1 C1C=CCN1 WXC02554 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.7 CCOC(=O)CCN WX600219 [0,1,1,0,0,0|1,0,1]=4 105 B7R0.7 CCOC(=O)\C=C\I WX618027 [0,1,1,0,0,0|1,0,0]=3 106 B7R1.1 CNc1cc[nH]n1 WX606026 [1,1,0,0,0,0|2,0,0]=4 107 B7R1.1 CNc1ccon1 WX606025 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.1 CNc1ccon1 WX606070 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.1 CSc1cc[nH]n1 WXC00642 [1,1,0,0,0,0|2,0,0]=4 110 B7R1.1 c1c[nH]nc1C=O WX624059 [1,1,0,0,0,0|2,0,0]=4 111 B7R1.1 c1c[nH]nc1CN WX603026 [1,1,0,0,0,0|2,0,0]=4 112 B7R1.1 c1c[nH]nc1CN WXC04668 [1,1,0,0,0,0|2,0,0]=4 113 B7R1.1 c1cc(sc1)CO WX640288 [1,1,0,0,0,0|1,0,1]=4 114 B7R1.1 c1cnoc1CBr WX630186 [1,1,0,0,0,0|2,0,0]=4 115 B7R1.1 c1cnoc1CN WX603009 [1,1,0,0,0,0|2,0,0]=4 116 B7R1.1 c1conc1C=O WX624030 [1,1,0,0,0,0|2,0,0]=4 117 B7R1.1 c1conc1CBr WX630236 [1,1,0,0,0,0|2,0,0]=4 118 B7R1.1 c1conc1CN WX603172 [1,1,0,0,0,0|2,0,0]=4 119 B7R1.4 C1CNC(=O)[C@@H]1N WX604202 [1,1,0,0,0,0|1,0,1]=4 120 B7R1.4 C1CNC(=O)[C@H]1O WX642165 [1,1,0,0,0,0|1,0,1]=4 121 B7R1.4 C1COC(=O)C1N WXC03217 [1,1,0,0,0,0|1,0,1]=4 122 B9R1.69 C1CC(=O)NC(=O)C1N WXC01464 [0,1,0,0,0,1|1,0,1]=4 123 B9R1.2 C1CNC(=O)CC1CN WX600136 [0,1,0,0,0,1|0,0,2]=4 124 B9R1.2 C1CNC(=O)CC1CN WX600354 [0,1,0,0,0,1|0,0,2]=4 125 B9R1.2 Cc1cc(ccn1)C=O WX624158 [0,1,0,0,0,1|0,0,2]=4 126 B9R1.2 Cc1ccnc(c1)C=O WX624021 [0,1,0,0,0,1|0,0,2]=4 127 B9R1.22 Cc1cc(n(n1)C)C=O WX624210 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.35 Cc1cc([nH]n1)C(=O)O WX614060 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.35 Cc1cc(c[nH]1)C(=O)O WX613080 [0,2,0,0,0,0|1,0,1]=4 130 B9R1.35 Cc1cc(n[nH]1)C(=O)O WX614029 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.35 Cc1cc(no1)C(=O)C WX626024 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.35 Cc1cc(on1)C(=O)O WX614233 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.35 Cc1cc(sc1)C(=O)O WX614259 [0,2,0,0,0,0|1,0,1]=4 134 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [0,2,0,0,0,0|1,0,1]=4 135 B9R1.37 C1(C(=C(C(=O)O1)Cl)Cl)O WX685431 [0,2,0,0,0,0|2,0,0]=4 136 B7R1.3 C1CC(=O)COC1 WX625057 [0,0,1,1,0,0|1,0,1]=4 137 B7R1.3 C1COC(=O)C=C1 WX685450 [0,0,1,1,0,0|1,0,0]=3 138 B7R1.22 CCC(=O)C1CC1 WX625032 [0,0,1,1,0,0|0,0,2]=4 139 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,0,1,0|1,0,1]=4 140 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,0,1,0|1,0,1]=4 141 B5R1.2 CC1CCN1 WX604557 [1,0,0,0,1,0|1,0,1]=4 142 B9R1.49 CN1CCCC(=O)CC1 WX625013 [0,0,0,0,0,2|1,0,1]=4