0 B7R1.2 C1=CC(=O)OC1=O BC200750 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 C1C(=O)NC(=O)N1 BC220746 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 C1CC(=O)OC1=O BC676904 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 C1[C@H](CNC1=O)O BC676893 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,0,0,0|0,0,0]=0 6 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.2 CC1=NNC(=O)C1 BC649952 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 CN1CCC(C1)O BC202129 [0,0,0,0,0,0|1,0,3]=4 9 B7R1.2 CN1CC[C@H](C1)N BC208658 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.2 Cc1cc(n[nH]1)C BC227849 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 Cc1cc(no1)N BC200452 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 Cc1ccc([nH]1)C BC203703 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.2 Cc1cnc(s1)Br BC675562 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 Cc1csc(n1)Br BC221845 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 Cn1cc(cn1)Br BC679659 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 Cn1cc(cn1)N BC262633 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 Cn1cc(cn1)N BC265082 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 Cn1cc(nc1)I BC220440 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 c1c(csc1Br)Br BC685091 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 C1C(=O)O[Pt]O1 BC679461 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 C1C=CC(=O)O1 BC201413 [1,0,0,0,0,0|1,0,0]=2 22 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,0,0,0|0,0,0]=1 23 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,0,0,0|1,0,1]=3 24 B6R1.2 C1CNC(=O)N1 BC202712 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 C1CNCC1=O BC208274 [1,0,0,0,0,0|1,0,1]=3 26 B6R1.2 C1COCC1=O BC244549 [1,0,0,0,0,0|1,0,1]=3 27 B6R1.2 CC1CCCN1 BC208988 [1,0,0,0,0,0|1,0,2]=4 28 B6R1.2 CC1CCCO1 BC205640 [1,0,0,0,0,0|1,0,2]=4 29 B6R1.2 C[C@@H]1CCCN1 BC677871 [1,0,0,0,0,0|1,0,2]=4 30 B6R1.2 C[C@H]1CCCN1 BC208991 [1,0,0,0,0,0|1,0,2]=4 31 B6R1.2 Cc1[nH]ccn1 BC228979 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 Cc1c[nH]cn1 BC200416 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 Cc1c[nH]nc1 BC677698 [1,0,0,0,0,0|2,0,1]=4 34 B6R1.2 Cc1c[nH]nn1 BC655515 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 Cc1nc[nH]n1 BC206611 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 Cn1cccn1 BC202050 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 Cn1ccnc1 BC680917 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 c1c[nH]nc1Br BC221788 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 c1c[nH]nc1N BC207676 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 c1cc(oc1)Br BC675565 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 c1cc(sc1)Br BC676814 [1,0,0,0,0,0|2,0,1]=4 43 B6R1.2 c1cc(sc1)Br BC677960 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 c1cc(sc1)F BC211749 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 c1cocc1Br BC227194 [1,0,0,0,0,0|2,0,1]=4 46 B6R1.2 c1conc1N BC215684 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 c1cscc1Br BC210528 [1,0,0,0,0,0|2,0,1]=4 48 B6R1.2 c1cscc1N BC677154 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 c1cscc1N BC686803 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.1 Cc1csc(n1)C=O BC203023 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.1 Cc1ncc(s1)C=O BC650857 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.1 c1c(coc1C=O)Br BC645867 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.1 c1c(csc1C=O)Br BC678555 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.18 CC1=CC(=O)OC1O BC213808 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.18 C[C@H]1C(=O)OC(=O)N1 BC677969 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.18 Cc1c(oc(=O)o1)C BC207654 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.18 Cn1c(=O)cc(s1)Cl BC221924 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.50 C1CC(=O)N(C1=O)I BC220192 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.50 C1CC(=O)N(C1=O)O BC209532 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.50 CC1=C(C(=O)CO1)O BC207037 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.1 CCOC(=O)CBr BC206664 [0,0,1,0,0,0|2,0,1]=4 64 B6R0.1 CCOC(=O)CN BC676695 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.2 CC(=CC(=O)O)C BC200231 [0,0,1,0,0,0|1,0,0]=2 66 B6R0.2 CC(=O)NC(=N)N BC652251 [0,0,1,0,0,0|3,0,0]=4 67 B6R0.2 CC(C)CC(=O)O BC677309 [0,0,1,0,0,0|1,0,2]=4 68 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,0,1,0,0,0|2,0,1]=4 70 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,0,1,0,0,0|1,0,0]=2 71 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,0,1,0,0,0|1,0,0]=2 72 B6R0.4 C(CC(=O)O)C#N BC670380 [0,0,1,0,0,0|2,0,1]=4 73 B6R0.4 C(CC(=O)O)CBr BC219750 [0,0,1,0,0,0|2,0,1]=4 74 B6R0.4 C(CC(=O)O)CN BC204189 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.4 C=CCCC(=O)O BC678220 [0,0,1,0,0,0|1,0,1]=3 76 B6R0.4 C=CCOC(=O)Cl BC676725 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.4 CC(=O)OCC=C BC219433 [0,0,1,0,0,0|1,0,2]=4 78 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [0,0,0,0,0,1|1,0,2]=4 79 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,0,0,0,0,1|1,0,1]=3 80 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,0,0,0,0,1|1,0,1]=3 81 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,0,0,0,0,1|1,0,2]=4 82 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,0,0,1|0,0,2]=3 83 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,0,0,0,0,1|1,0,1]=3 84 B8R1.3 Cc1ccc(cc1)I BC208320 [0,0,0,0,0,1|1,0,2]=4 85 B8R1.3 Cc1ccc(cn1)Br BC200848 [0,0,0,0,0,1|1,0,2]=4 86 B8R1.3 Cc1ccc(cn1)F BC219187 [0,0,0,0,0,1|1,0,2]=4 87 B8R1.3 Cc1ccc(cn1)I BC228957 [0,0,0,0,0,1|1,0,2]=4 88 B8R1.3 Cc1ccc(cn1)N BC202216 [0,0,0,0,0,1|1,0,2]=4 89 B8R1.3 Cc1ccc(cn1)O BC213724 [0,0,0,0,0,1|0,0,3]=4 90 B8R1.3 Cc1ccc(nc1)C BC220412 [0,0,0,0,0,1|1,0,2]=4 91 B8R1.3 Cc1ccc(nc1)Cl BC201252 [0,0,0,0,0,1|1,0,2]=4 92 B8R1.3 Cc1ccc(nc1)F BC219184 [0,0,0,0,0,1|1,0,2]=4 93 B8R1.3 Cc1ccc(nc1)N BC203509 [0,0,0,0,0,1|1,0,2]=4 94 B8R1.3 Cc1cnc(cn1)C BC651592 [0,0,0,0,0,1|2,0,1]=4 95 B8R1.3 Cc1cnc(nc1)Cl BC221851 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.3 Cc1ncc(cn1)N BC228078 [0,0,0,0,0,1|2,0,1]=4 97 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [0,0,0,0,0,1|3,0,0]=4 98 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,0,0,0,0,1|1,0,1]=3 99 B8R1.4 C1CNC(=O)CC1N BC678826 [0,0,0,0,0,1|1,0,2]=4 100 B8R1.4 C1CNC(=O)CC1O BC678827 [0,0,0,0,0,1|1,0,2]=4 101 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,0,0,0,0,1|1,0,2]=4 102 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,0,0,0,0,1|1,0,2]=4 103 B8R1.4 Cc1cc(ccn1)O BC208676 [0,0,0,0,0,1|0,0,3]=4 104 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,0,0,0,0,1|1,0,2]=4 105 B8R1.4 Cc1cc(cnc1)N BC208421 [0,0,0,0,0,1|1,0,2]=4 106 B8R1.4 Cc1cc(cnc1)O BC201216 [0,0,0,0,0,1|0,0,3]=4 107 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,0,0,0,0,1|2,0,1]=4 108 B8R1.4 Cc1cccc(c1)F BC675323 [0,0,0,0,0,1|1,0,2]=4 109 B8R1.4 Cc1cccc(c1)O BC207588 [0,0,0,0,0,1|0,0,3]=4 110 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,0,0,0,0,1|1,0,2]=4 111 B8R1.4 Cc1ccnc(c1)F BC219183 [0,0,0,0,0,1|1,0,2]=4 112 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,0,0,0,0,1|2,0,1]=4 113 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,0,0,0,0,1|1,0,2]=4 114 B5R0.1 C(CN)C(=O)O BC219368 [1,0,1,0,0,0|2,0,0]=4 115 B5R0.1 C(CS)C(=O)O BC226809 [1,0,1,0,0,0|2,0,0]=4 116 B5R0.1 CC(=CCBr)C BC211224 [1,0,1,0,0,0|1,0,1]=4 117 B5R0.1 CC(=O)\C=N/O BC671081 [1,0,1,0,0,0|2,0,0]=4 118 B5R0.1 CCCC(=[NH2+])N BC202602 [1,0,1,0,0,0|2,0,0]=4 119 B5R0.1 CCOC(=O)Cl BC222115 [1,0,1,0,0,0|2,0,0]=4 120 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,1,0,0,0|1,0,0]=3 121 B5R0.2 C(CC=O)C=O BC222879 [1,0,1,0,0,0|1,0,0]=3 122 B5R0.2 C=CCCCBr BC202057 [1,0,1,0,0,0|1,0,1]=4 123 B5R0.3 COC(=O)C=C BC222749 [1,0,1,0,0,0|1,0,0]=3 124 B5R0.3 COC(=O)C=O BC202567 [1,0,1,0,0,0|2,0,0]=4 125 B5R0.3 COC(=O)CN BC215108 [1,0,1,0,0,0|2,0,0]=4 126 B5R0.3 COC(=O)OC BC205807 [1,0,1,0,0,0|2,0,0]=4 127 B5R1.1 C1C=CCN1 BC204537 [2,0,0,0,0,0|1,0,1]=4 128 B5R1.1 C1C=CCN1 BC678848 [2,0,0,0,0,0|1,0,1]=4 129 B5R1.1 C1COC=C1 BC209508 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,1,1,0,0,0|0,0,2]=4 131 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,1,1,0,0,0|0,0,2]=4 132 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,1,1,0,0,0|1,0,0]=3 133 B7R0.5 CCOC(=O)C(C)F BC221922 [0,1,1,0,0,0|1,0,1]=4 134 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [0,1,1,0,0,0|1,0,1]=4 135 B7R0.7 CCOC(=O)CC=O BC222385 [0,1,1,0,0,0|1,0,1]=4 136 B7R0.10 COC(=O)C(=O)CBr BC208895 [0,1,1,0,0,0|2,0,0]=4 137 B7R0.10 COC(=O)C(=O)OC BC211734 [0,1,1,0,0,0|2,0,0]=4 138 B7R0.9 CC(=O)OC(C)(C)C BC207665 [0,1,1,0,0,0|1,0,1]=4 139 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.4 C(CCBr)CC(=O)O BC220689 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [0,1,1,0,0,0|1,0,1]=4 142 B7R0.6 CC(=O)CCC(=O)C BC676318 [0,1,1,0,0,0|0,0,1]=3 143 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,1,1,0,0,0|1,0,0]=3 144 B7R0.6 CC(=O)CNC(=O)C BC220001 [0,1,1,0,0,0|1,0,1]=4 145 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,1,1,0,0,0|1,0,1]=4 146 B7R1.1 CCc1cccs1 BC210545 [1,1,0,0,0,0|1,0,1]=4 147 B7R1.1 c1c[nH]nc1C=O BC207627 [1,1,0,0,0,0|2,0,0]=4 148 B7R1.1 c1c[nH]nc1CO BC657829 [1,1,0,0,0,0|2,0,0]=4 149 B7R1.1 c1cc([nH]c1)C=O BC210794 [1,1,0,0,0,0|1,0,1]=4 150 B7R1.1 c1cc([nH]c1)CN BC620340 [1,1,0,0,0,0|1,0,1]=4 151 B7R1.1 c1cc(sc1)C=O BC225721 [1,1,0,0,0,0|1,0,1]=4 152 B7R1.1 c1cnsc1C=O BC677321 [1,1,0,0,0,0|2,0,0]=4 153 B7R1.1 c1conc1C=O BC201897 [1,1,0,0,0,0|2,0,0]=4 154 B7R1.1 c1cscc1C=O BC676777 [1,1,0,0,0,0|1,0,1]=4 155 B7R1.1 c1cscc1CN BC655305 [1,1,0,0,0,0|1,0,1]=4 156 B7R1.4 C1CC(=C(C1)Br)Br BC213699 [1,1,0,0,0,0|1,0,1]=4 157 B7R1.4 C1COC(=O)[C@@H]1N BC679085 [1,1,0,0,0,0|1,0,1]=4 158 B7R1.4 CC1CCNC1=O BC676006 [1,1,0,0,0,0|1,0,1]=4 159 B7R1.4 CN1CCCC1=O BC675578 [1,1,0,0,0,0|1,0,1]=4 160 B7R1.4 CN1CCNC1=O BC207797 [1,1,0,0,0,0|2,0,0]=4 161 B7R1.4 Cc1cscc1C BC653364 [1,1,0,0,0,0|1,0,1]=4 162 B7R1.4 Cn1c(=O)ccs1 BC200617 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.1 CCN1CCC(=O)CC1 BC683778 [0,1,0,0,0,1|1,0,1]=4 164 B9R1.1 Cc1ccc(cc1)C=O BC211019 [0,1,0,0,0,1|0,0,2]=4 165 B9R1.1 Cc1ccc(nc1)C=O BC207526 [0,1,0,0,0,1|0,0,2]=4 166 B9R1.1 Cc1ncc(cn1)C=O BC228073 [0,1,0,0,0,1|1,0,1]=4 167 B9R1.69 C1=C(C=NC(=O)C1Cl)Br BC219130 [0,1,0,0,0,1|1,0,1]=4 168 B9R1.69 CC1CN(CCC1=O)C BC208022 [0,1,0,0,0,1|1,0,1]=4 169 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 BC226865 [0,1,0,0,0,1|1,0,1]=4 170 B9R1.7 CCOC1CCC(=O)N1 BC206926 [0,2,0,0,0,0|1,0,1]=4 171 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,2,0,0,0,0|0,0,1]=3 172 B9R1.35 Cc1cc(n[nH]1)[N+](=O)[O-] BC262373 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.35 Cc1cc(no1)C(=O)Cl BC684298 [0,2,0,0,0,0|2,0,0]=4 174 B9R1.35 Cc1cc(no1)C(=O)O BC650587 [0,2,0,0,0,0|2,0,0]=4 175 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,2,0,0,0,0|2,0,0]=4 176 B9R1.37 CC1=C(C(=O)OC1=O)C BC220848 [0,2,0,0,0,0|1,0,1]=4 177 B9R1.37 CC1C(=O)C(=C(O1)C)O BC207038 [0,2,0,0,0,0|1,0,0]=3 178 B7R1.3 C1CC(=O)CNC1 BC677163 [0,0,1,1,0,0|1,0,1]=4 179 B7R1.3 C1CCC(=O)CC1 BC214118 [0,0,1,1,0,0|0,0,2]=4 180 B7R1.18 C1C(CN1)C(=O)O BC202058 [0,0,1,1,0,0|2,0,0]=4 181 B7R1.18 C1C(CN1)C(=O)O BC225187 [0,0,1,1,0,0|2,0,0]=4 182 B9R2.25 C1C2C1C(=O)OC2=O BC680768 [0,0,0,1,0,1|2,0,0]=4 183 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,0,1,0,1,0|1,0,1]=4 184 B5R0.5 CC(=C)C(=O)O BC675577 [0,0,1,0,1,0|1,0,1]=4 185 B5R0.5 CC(=O)C(=O)O BC216002 [0,0,1,0,1,0|2,0,0]=4 186 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,0,1,0,1,0|2,0,0]=4 187 B5R0.5 CC(=O)N(C)C BC204203 [0,0,1,0,1,0|1,0,0]=3 188 B5R0.5 CC(C(=O)C)Br BC202460 [0,0,1,0,1,0|1,0,1]=4 189 B5R1.2 C1C(=O)CN1 BC653134 [1,0,0,0,1,0|1,0,1]=4 190 B5R1.2 C1C(=O)CO1 BC254016 [1,0,0,0,1,0|1,0,1]=4 191 B5R1.2 C1C(=O)CS1 BC669058 [1,0,0,0,1,0|1,0,1]=4 192 B5R1.2 C1CC(=O)C1 BC209625 [1,0,0,0,1,0|0,0,1]=3 193 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,0,0,0,0,2|1,0,1]=4