0 B7R1.2 CC1=CC(=O)NN1 M2903 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CN1CCC(O)C1 P6737 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 O=C1CSC(=O)N1 T0472 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 OC1CCC(O)C1 C18885 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 CC1CCNC1 M17094 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,0,0,0|1,0,1]=3 13 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,0,0,0|1,0,1]=3 14 B6R1.2 F[C@H]1CCNC1 F12344 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 NC1=NCCS1 A5327 [1,0,0,0,0,0|2,1,0]=4 16 B6R1.2 NC1=NCCS1 E5676 [1,0,0,0,0,0|2,1,0]=4 17 B6R1.2 N[C@@H]1CCNC1 A13883 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 N[C@@H]1CCNC1 P6035 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 N[C@H]1CCNC1 A6036 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 N[C@H]1CCOC1 A19174 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,0,0,0|1,0,1]=3 22 B6R1.2 O=C1CCSC1 T11319 [1,0,0,0,0,0|2,0,0]=3 23 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,0,0,0|2,0,0]=3 24 B6R1.2 O=C1NCCO1 O11604 [1,0,0,0,0,0|1,0,0]=2 25 B6R1.2 O[C@@H]1CCNC1 P4795 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 O[C@@H]1CCNC1 P4796 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 O[C@@H]1CCOC1 H7200 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 O[C@H]1CCNC1 P6678 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 O[C@H]1CCOC1 H2612 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 CCC1=NC(C)CN1 E1868 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,0,0,0|0,0,2]=3 34 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.18 C=C1CC(=O)OC1=O I0486 [0,1,0,0,0,0|1,0,2]=4 38 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,0,0,0|1,0,2]=4 39 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,0,0,0|1,0,1]=3 40 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.51 N=[Pt]1(=N)OCC(=O)O1 G17928 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 C=CC(=O)CCC H17062 [0,0,1,0,0,0|1,0,2]=4 45 B6R0.1 CCOC(=O)CN A14488 [0,0,1,0,0,0|1,0,0]=2 46 B6R0.1 CCO\C(C)=N/O H17707 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.1 CNCC(=O)OC M5408 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,1,0,0,0|2,0,1]=4 50 B6R0.2 CC(C)CC(=N)N M13844 [0,0,1,0,0,0|3,0,0]=4 51 B6R0.4 CCCCB(O)O B0514 [0,0,1,0,0,0|1,0,1]=3 52 B6R0.4 COCCC(=N)N M13848 [0,0,1,0,0,0|3,0,0]=4 53 B6R0.4 NCCCC(=O)O A19243 [0,0,1,0,0,0|1,0,0]=2 54 B6R0.4 O=C(Cl)CCCCl C18875 [0,0,1,0,0,0|2,0,0]=3 55 B6R0.4 O=C([O-])CNCO S17161 [0,0,1,0,0,0|2,0,1]=4 56 B6R1.4 CN1CCC1N A18235 [0,0,0,0,1,0|2,0,1]=4 57 B8R1.3 CN1CCC(=O)CC1 M3185 [0,0,0,0,0,1|2,0,0]=3 58 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,0,0,0,0,1|2,0,1]=4 60 B8R1.3 O=C1CCC(O)CC1 H15821 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.4 CC1CNCC(C)C1 L11275 [0,0,0,0,0,1|2,0,1]=4 63 B8R1.4 CC1CNCC(C)N1 D0949 [0,0,0,0,0,1|2,0,1]=4 64 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D11681 [0,0,0,0,0,1|2,0,1]=4 65 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,0,0,0,0,1|1,0,1]=3 66 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,0,0,0,0,1|2,0,1]=4 68 B5R0.1 CCCC(=O)O B18853 [1,0,1,0,0,0|0,0,0]=2 69 B5R0.1 CCC[C@H](C)O P4807 [1,0,1,0,0,0|0,0,1]=3 70 B5R0.1 CNCC(=O)O S18803 [1,0,1,0,0,0|1,0,0]=3 71 B5R0.1 COC[C@@H](C)O M5850 [1,0,1,0,0,0|1,0,1]=4 72 B5R0.1 COC[C@H](C)O M5856 [1,0,1,0,0,0|1,0,1]=4 73 B5R0.2 NCCCCO A18122 [1,0,1,0,0,0|1,0,1]=4 74 B5R0.2 OCCCCBr B18469 [1,0,1,0,0,0|1,0,1]=4 75 B5R0.3 COC(=O)CN G18901 [1,0,1,0,0,0|1,0,0]=3 76 B5R1.1 C1=CCNC1 P12964 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.2 CCC(N)CC(=O)O A14449 [0,1,1,0,0,0|2,0,0]=4 78 B7R0.2 CCC(N)CC(=O)O A18198 [0,1,1,0,0,0|2,0,0]=4 79 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [0,1,1,0,0,0|2,0,0]=4 80 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,1,1,0,0,0|1,0,0]=3 81 B7R0.5 CCOC(=O)C(F)Br E1920 [0,1,1,0,0,0|1,0,0]=3 82 B7R0.5 CCOC(=O)C(F)F E5215 [0,1,1,0,0,0|1,0,0]=3 83 B7R0.7 COCC(=O)COC D12730 [0,1,1,0,0,0|2,0,0]=4 84 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,1,1,0,0,0|0,0,1]=3 85 B7R0.9 CC(C)(C)CC(=O)O B0283 [0,1,1,0,0,0|2,0,0]=4 86 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,1,1,0,0,0|1,0,0]=3 87 B7R0.9 CC(C)(N)CC(=O)O A17650 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.16 CC(C)[C@@H](Br)C(=O)O B8237 [0,1,1,0,0,0|2,0,0]=4 89 B7R0.16 CC(C)[C@@H](N)C(=O)O V6098 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.16 CC(C)[C@H](Br)C(=O)O B8238 [0,1,1,0,0,0|2,0,0]=4 91 B7R0.16 CC(C)[C@H](O)C(=O)O H12825 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.4 C=CCNCC(=O)O A18405 [0,1,1,0,0,0|0,0,2]=4 93 B7R0.4 CC(=O)CCCCCl C18888 [0,1,1,0,0,0|1,0,0]=3 94 B7R0.4 CCCCCC(=N)N H14019 [0,1,1,0,0,0|2,0,0]=4 95 B7R0.4 CCOCCC(=N)N E14098 [0,1,1,0,0,0|2,0,0]=4 96 B7R0.4 N=C(N)CCCCCl C16515 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.4 O=C(Cl)CCCCBr B9001 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,1,1,0,0,0|1,0,1]=4 99 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,1,1,0,0,0|0,0,2]=4 100 B7R1.1 BrCC1CCCC1 B18461 [1,1,0,0,0,0|1,0,1]=4 101 B7R1.1 CCC1CCCN1 E15991 [1,1,0,0,0,0|1,0,1]=4 102 B7R1.1 NCC1CCNC1 P13897 [1,1,0,0,0,0|2,0,0]=4 103 B7R1.1 NC[C@H]1CCCO1 T11002 [1,1,0,0,0,0|0,0,1]=3 104 B7R1.1 OC[C@@H]1CCCN1 P2200 [1,1,0,0,0,0|1,0,1]=4 105 B7R1.1 OC[C@H]1CCCN1 P6137 [1,1,0,0,0,0|1,0,1]=4 106 B7R1.1 OC[C@H]1CCCN1 P6137 [1,1,0,0,0,0|1,0,1]=4 107 B7R1.4 C=C1CCOC1=O M11697 [1,1,0,0,0,0|0,0,1]=3 108 B7R1.4 CC1OCCC1=O M5424 [1,1,0,0,0,0|0,0,2]=4 109 B7R1.4 CC1OCCC1S T12619 [1,1,0,0,0,0|0,0,1]=3 110 B7R1.4 N[C@@H]1CONC1=O C5656 [1,1,0,0,0,0|2,0,0]=4 111 B7R1.4 O=C1OCCC1Br B11067 [1,1,0,0,0,0|0,0,0]=2 112 B9R1.1 O=C1CO[C@@H](CO)CN1 H16874 [0,1,0,0,0,1|1,0,0]=3 113 B9R1.21 COC1CCC(OC)O1 D3309 [0,2,0,0,0,0|0,0,2]=4 114 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O D6630 [0,2,0,0,0,0|0,0,2]=4 115 B9R1.35 CC(C)[C@@H]1COC(=O)N1 I5890 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.35 CC(C)[C@H]1COC(=O)N1 I2202 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [0,2,0,0,0,0|1,0,1]=4 118 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,2,0,0,0,0|1,0,1]=4 119 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,2,0,0,0,0|1,0,1]=4 120 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,2,0,0,0,0|1,0,1]=4 121 B9R1.37 CC1=C(O)C(=O)OC1C D6964 [0,2,0,0,0,0|0,0,2]=4 122 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,2,0,0,0,0|1,0,1]=4 123 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,2,0,0,0,0|1,0,1]=4 124 B9R1.27 CCC1C(=O)NCC1C E17699 [0,2,0,0,0,0|2,0,0]=4 125 B7R1.3 O=C1C=CCCC1 C17765 [0,0,1,1,0,0|1,0,1]=4 126 B7R1.3 O=C1CCNCC1 P3649 [0,0,1,1,0,0|2,0,0]=4 127 B7R1.3 O=C1CCNCC1 P7276 [0,0,1,1,0,0|2,0,0]=4 128 B7R1.3 O=C1CCOCC1 T11055 [0,0,1,1,0,0|2,0,0]=4 129 B7R1.3 O=C1CNCCN1 P12440 [0,0,1,1,0,0|2,0,0]=4 130 B7R1.20 O=C(O)CC1CC1 C2235 [0,0,1,1,0,0|2,0,0]=4 131 B7R1.18 N=C(N)C1CCC1 C13015 [0,0,1,1,0,0|2,0,0]=4 132 B7R1.18 O=C(O)C1CCN1 A19377 [0,0,1,1,0,0|1,0,0]=3 133 B7R1.18 O=C(O)C1CNC1 A18761 [0,0,1,1,0,0|1,0,0]=3 134 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,1,1,0,0|1,0,0]=3 135 B7R1.18 O=C(O)C1CNC1 A3585 [0,0,1,1,0,0|1,0,0]=3 136 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [0,0,1,1,0,0|1,0,0]=3 137 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,1,1,0,0|1,0,0]=3 138 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,0,1,1,0,0|1,0,0]=3 139 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [0,0,1,1,0,0|1,0,0]=3 140 B9R2.25 O=C1OC(=O)C2CC12 O19294 [0,0,0,1,0,1|1,0,1]=4 141 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O A5100 [0,0,0,1,0,1|1,0,1]=4 142 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O A5100 [0,0,0,1,0,1|1,0,1]=4 143 B5R0.5 CC(=O)C(C)O A1243 [0,0,1,0,1,0|1,0,0]=3 144 B5R0.5 CC(Br)C(=O)O B18872 [0,0,1,0,1,0|2,0,0]=4 145 B5R0.5 CC(C)C(=N)N M12995 [0,0,1,0,1,0|2,0,0]=4 146 B5R0.5 CC(C)C(N)=O I11048 [0,0,1,0,1,0|1,0,0]=3 147 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,0,1,0,1,0|2,0,0]=4 148 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,0,1,0,1,0|2,0,0]=4 149 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,0,1,0,1,0|2,0,0]=4 150 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,0,1,0,1,0|2,0,0]=4 151 B5R0.5 C[C@H](N)C(N)=O A6327 [0,0,1,0,1,0|2,0,0]=4 152 B5R1.2 ClC1CCC1 C18781 [1,0,0,0,1,0|1,0,1]=4 153 B5R1.2 NC1CCC1 A18148 [1,0,0,0,1,0|1,0,1]=4 154 B5R1.2 O=C1CCC1 C17719 [1,0,0,0,1,0|0,0,0]=2 155 B5R1.2 O=C1CCN1 A18280 [1,0,0,0,1,0|1,0,0]=3 156 B5R1.2 O=C1COC1 O19064 [1,0,0,0,1,0|1,0,0]=3