0 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,0,0,0,0,0|2,1,0]=3 2 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,0,0,0,0|1,1,1]=3 3 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,0,0,0,0,0|0,1,2]=3 4 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,0,0,0,0|1,1,1]=3 5 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,0,0,0,0,0|2,1,0]=3 6 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,0,0,0,0|1,1,1]=3 19 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,0,0,0,0,0|0,0,0]=0 20 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,0,0,0,0|1,1,1]=3 22 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,0,0,0,0,0|0,0,0]=0 23 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,0,0,0,0,0|2,1,1]=4 24 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|1,1,1]=4 30 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|1,1,1]=4 32 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|2,1,0]=4 34 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|0,1,0]=2 35 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,0,0,0,0,0|0,0,0]=1 36 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 C=CCN=C=S CNP0329428.0 [1,0,0,0,0,0|0,0,2]=3 49 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|1,1,1]=4 53 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|2,1,0]=4 54 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|1,1,1]=4 56 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|2,1,0]=4 66 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|0,0,0]=1 67 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,1,1]=4 68 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|1,1,1]=4 76 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|1,1,1]=4 77 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|0,0,3]=4 79 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CCC(O)CCl CNP0366953.0 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,0,0,0,0|1,1,1]=4 86 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,0,0,0,0|1,0,2]=4 87 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|0,1,1]=3 89 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|0,1,1]=3 90 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|0,1,1]=3 92 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|0,1,1]=3 94 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|0,0,2]=3 95 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|1,1,1]=4 98 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|1,1,1]=4 101 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|1,1,1]=4 102 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|1,1,1]=4 103 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|1,1,1]=4 104 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|1,1,1]=4 105 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|1,1,1]=4 106 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,0,0,0,0|0,0,3]=4 108 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,0,0,0,0|0,0,2]=3 109 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|1,1,1]=4 110 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [0,1,0,0,0,0|0,0,2]=3 111 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|1,1,1]=4 112 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|0,0,1]=2 116 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|0,0,2]=3 117 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,1,0,0,0,0|0,0,0]=1 119 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|1,1,1]=4 125 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|1,1,1]=4 127 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|1,1,1]=4 129 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,0,0,0,0|1,1,1]=4 137 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,0,0,0,0|1,1,1]=4 142 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,1,0,0,0,0|2,0,1]=4 150 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|1,1,1]=4 156 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|1,1,1]=4 157 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,1,1]=4 158 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|1,1,1]=4 159 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,1,1]=4 161 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,1,1]=4 164 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,1,0,0|1,1,1]=4 166 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|1,1,1]=4 170 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|2,0,1]=4 179 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,2]=4 181 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|0,1,1]=4 183 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,1,1]=4 184 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,1,1]=4 185 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,1,1]=4 187 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,0,2]=4 188 B4R0.1 CC(N)CN CNP0579261.0 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 CC(S)CS CNP0488983.0 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,1,1]=4 192 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,1]=3 193 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|0,0,1]=3 194 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|1,1,0]=4 195 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,1,0]=3 197 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,0,1]=3 198 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,1,0]=3 199 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|1,1,0]=4 201 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|0,0,2]=4 202 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,1,0]=4 207 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 C[C@H](O)CBr CNP0593715.1 [2,0,0,0,0,0|1,1,0]=4 209 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,1,0]=4 210 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,1,0]=4 211 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|0,1,1]=4 215 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,1,1]=4 216 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,1,1]=4 220 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,0,2]=4 221 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|0,0,2]=4 222 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,1,0]=4 225 B4R0.2 CCN=C=S CNP0601773.0 [2,0,0,0,0,0|0,0,0]=2 226 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|1,1,0]=4 227 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|0,0,2]=4 228 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,1,0,0,0,0|0,0,0]=2 231 B6R0.6 C=CCCN=C=S CNP0107519.0 [1,1,0,0,0,0|0,0,1]=3 232 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,1,0,0,0,0|0,0,1]=3 233 B6R0.6 CCCCN=C=S CNP0328773.0 [1,1,0,0,0,0|0,0,0]=2 234 B6R0.6 CSCCCN=S CNP0092190.0 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.6 CSCCN=C=S CNP0002691.0 [1,1,0,0,0,0|0,0,0]=2 236 B6R0.6 OCCCN=C=S CNP0612043.0 [1,1,0,0,0,0|0,0,0]=2 237 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.8 CCC(C)(C)CC CNP0117655.0 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.8 CCC(C)(C)SC CNP0141733.0 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.8 CCC(C)(O)CC CNP0314635.0 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.8 CCC(C)(O)CO CNP0308368.0 [1,1,0,0,0,0|0,1,1]=4 242 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.9 CCC(C#N)CC CNP0152089.0 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,1,1]=4 247 B6R0.9 CCC(CC)CC CNP0205695.0 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.9 CCC(CC)SC CNP0410895.0 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|1,1,0]=4 251 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,2,0,0,0,0|0,0,2]=4 252 B6R1.3 S=C=NC1CC1 CNP0158262.0 [1,0,0,1,0,0|0,0,0]=2 253 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,1,0,0|0,1,1]=4 257 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,1,0,0|1,0,1]=4