0 B7R0.3 C=CCNC(=O)CCl U937 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CCOC(=O)OC Z3261 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 CCCCC(=O)CC 7786AF [0,0,0,0,0,0|1,0,0]=1 3 B7R0.3 CCCCC(=O)NN X5269 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCCCC(Br)CC 6006AL [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 CCCC[C@@H](N)CO V7833 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 CCCNC(=O)CN V6930 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 CCCOC(=O)CBr U694 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.3 CCCOC(=O)CC 7524AF [0,0,0,0,0,0|0,0,0]=0 9 B7R0.3 COC(=O)CCCN 3563AL [0,0,0,0,0,0|3,0,0]=3 10 B7R0.3 NNC(=O)CCCO 2288AE [0,0,0,0,0,0|4,0,0]=4 11 B6R0.1 C=COC(=O)CC 7389AF [1,0,0,0,0,0|0,0,2]=3 12 B6R0.1 CCC(=O)CC#N 0486AE [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 CCC(O)COC 4893AL [1,0,0,0,0,0|1,0,2]=4 14 B6R0.1 CCCC(C)CCl 4812AL [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCC\C(N)=N\O 8990AD [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CCNC(=O)CC 8553AL [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCOC(=O)CI 7240AF [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CCOC(=O)NO 6247AE [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)OC 7884AL [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 CNC(=O)CCN 4757AE [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 COC(=O)OCCl 0229AP [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 C\C=C\C(=O)CC 2730AL [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CCC#CC(C)=O 6057AL [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CCCCC(=N)N 1867AA [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CCCCC(=N)N 9567AA [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CCCNC(N)=O P685 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CCCOC(N)=O 9471AB [1,0,0,0,0,0|1,0,0]=2 28 B6R0.4 CCCSC(C)=O R568 [1,0,0,0,0,0|0,1,0]=2 29 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|1,1,1]=4 30 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 CSCCC(C)=O L760 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 NCCCC(N)=O 5556AA [1,0,0,0,0,0|3,0,0]=4 34 B6R0.6 CCC#CCCO 5338AH [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCC#CCO V0624 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCCCSCC 7568AF [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 CCCNCCO 8316AA [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCSSSCC U690 [1,0,0,0,0,0|2,1,0]=4 39 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 ICCOCCI 4098AB [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 NCCOCCN 9093AB [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 SCCOCCS 5152AL [1,0,0,0,0,0|2,0,1]=4 43 B8R0.1 C=CCCC(=O)OCC 7864AL [0,1,0,0,0,0|1,0,2]=4 44 B8R0.1 C=CCOC(=O)OCC 7327AL [0,1,0,0,0,0|0,0,2]=3 45 B8R0.1 CCCCC(O)CCC 7995AF [0,1,0,0,0,0|1,0,2]=4 46 B8R0.1 CCCCN(C)CCCl 9577AC [0,1,0,0,0,0|3,0,0]=4 47 B8R0.1 CCCOC(=O)CCC 9026AJ [0,1,0,0,0,0|0,0,0]=1 48 B8R0.1 CCOC(=O)CCC#N 7342AC [0,1,0,0,0,0|2,0,1]=4 49 B8R0.1 CCOC(=O)CCCI 1537AC [0,1,0,0,0,0|2,0,0]=3 50 B8R0.1 CCOC(=O)CCNC 7579AD [0,1,0,0,0,0|2,0,0]=3 51 B8R0.1 CCOC(=O)NCCCl S838 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.1 N#CCC(=O)NCCO 4656AD [0,1,0,0,0,0|2,0,1]=4 53 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,1,0,0,0,0|2,0,0]=3 54 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.3 COC(=O)C(C)CCCl 4098AD [0,1,0,0,0,0|3,0,0]=4 56 B8R0.6 CCCCCC(=O)CC 6144AL [0,1,0,0,0,0|1,0,0]=2 57 B8R0.6 CCCCCC(=O)NN 8224AD [0,1,0,0,0,0|3,0,0]=4 58 B8R0.6 CCCCNC(=O)CC 8516AL [0,1,0,0,0,0|1,0,0]=2 59 B8R0.6 CCCCOC(=S)S[K] 1162AF [0,1,0,0,0,0|2,1,0]=4 60 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,1,0,0,0,0|2,0,0]=3 61 B8R0.6 COC(=O)CCCCN 3063AB [0,1,0,0,0,0|2,0,0]=3 62 B8R0.6 COC(=O)COCCCl 2910AC [0,1,0,0,0,0|2,0,0]=3 63 B8R0.6 COCCOC(=O)CCl 7354AL [0,1,0,0,0,0|1,0,0]=2 64 B8R0.8 C=CCOC(=O)[C@H](C)N V4209 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.8 CCCOC(=O)C(C)C 8881AL [0,1,0,0,0,0|0,0,0]=1 66 B8R0.8 CCCOC(=O)C(C)O 8130AL [0,1,0,0,0,0|0,0,0]=1 67 B8R0.9 CC(C)CNC(=O)CCl 0237AE [0,1,0,0,0,0|2,0,0]=3 68 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,0|2,0,1]=4 69 B8R0.11 CCCCC(CC)CN 5628AL [0,1,0,0,0,0|2,0,1]=4 70 B8R0.11 CCC\C=C(\C=O)CC 5610AL [0,1,0,0,0,0|1,0,0]=2 71 B8R0.19 CCC(C)CC(O)CC 7996AF [0,1,0,0,0,0|1,0,2]=4 72 B8R0.19 CCC(C)NC(=O)CCl 0194AE [0,1,0,0,0,0|2,0,0]=3 73 B8R0.19 CCC(C)SC(C)CC 8003AF [0,1,0,0,0,0|1,1,1]=4 74 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 COC1=CC(=O)CC1 6398AB [0,0,0,1,0,0|2,0,1]=4 76 B8R1.1 NCC1CCC(=O)N1 2507AA [0,0,0,1,0,0|2,0,0]=3 77 B8R1.1 O=C1CCC(CBr)O1 3312AH [0,0,0,1,0,0|1,0,0]=2 78 B8R1.1 O=C1CCC(CO)O1 X3393 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.1 O=C1CC[C@@H](CBr)N1 W8109 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.1 O=C1CC[C@@H](CO)O1 N841 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.1 O=C1CC[C@H](CBr)N1 W9851 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.1 O=C1NCC(CCl)O1 2907AL [0,0,0,1,0,0|2,0,0]=3 84 B8R1.1 O=C1NC[C@@H](CCl)O1 8648AA [0,0,0,1,0,0|2,0,0]=3 85 B8R1.2 CCC1CCCCC1 8567AA [0,0,0,1,0,0|2,0,1]=4 86 B8R1.2 CCC1CNCCO1 V6407 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 N#CC1=CCCCO1 6287AJ [0,0,0,1,0,0|2,0,1]=4 88 B8R1.2 NCC1CCCCO1 V7179 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.3 CC1COC(C)CN1 Z6902 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3944AJ [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 O=C1CCC(O)CN1 W4138 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.5 CC1CCCNC1=O Y8918 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.5 CC1CNCCC1=O W6393 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.5 CC1SCCNC1=O 8229AE [0,0,0,1,0,0|2,0,0]=3 95 B8R1.5 CN1CCCNC1=O 7411AC [0,0,0,1,0,0|2,0,0]=3 96 B8R1.5 CN1CCNCC1=O 1842AA [0,0,0,1,0,0|3,0,0]=4 97 B8R1.5 CN1CCNCC1=O 6558AD [0,0,0,1,0,0|3,0,0]=4 98 B8R1.5 CN1CCNCC1=O X7943 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,0,0,1,0,0|2,0,0]=3 101 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [0,0,0,1,0,0|2,0,0]=3 102 B8R1.5 N[C@H]1CCCNC1=O 5871AB [0,0,0,1,0,0|2,0,0]=3 103 B8R1.5 O=C1NCCCC1O W4139 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.22 BrC1CCCCCC1 1727AB [0,0,0,1,0,0|2,0,1]=4 105 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.22 O=C1CCOCCN1 0717AP [0,0,0,1,0,0|2,0,0]=3 107 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|1,0,0]=2 108 B8R1.38 COC(=O)C1CCC1 9430AE [0,0,0,1,0,0|2,0,0]=3 109 B8R1.38 COC(=O)C1CCN1 3825AJ [0,0,0,1,0,0|3,0,0]=4 110 B8R1.38 NNC(=O)C1CCC1 4590AF [0,0,0,1,0,0|3,0,0]=4 111 B8R1.38 O=C(CCl)N1CCC1 7072AE [0,0,0,1,0,0|2,0,0]=3 112 B8R1.40 NCC(=O)NC1CC1 3544AA [0,0,0,1,0,0|2,0,0]=3 113 B8R1.40 O=C(CCl)NC1CC1 Y8105 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.50 CC1=C(O)COC1=O 2737AL [0,0,0,1,0,0|1,0,2]=4 115 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,0,0,1,0,0|2,0,1]=4 116 B8R1.50 O=C1COC(=O)C1Cl 6019AL [0,0,0,1,0,0|2,0,1]=4 117 B8R1.52 CCC1(C)OCCO1 5612AL [0,0,0,1,0,0|2,0,1]=4 118 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 CNCC(=O)O 9764AB [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 CSCS(C)=O E772 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 O=C(O)CCI 7031AF [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 CC#CCCC 7448AF [2,0,0,0,0,0|0,0,2]=4 128 B5R0.2 CCCOC=O 8880AL [2,0,0,0,0,0|0,0,0]=2 129 B5R0.2 CCCSSC 8846AJ [2,0,0,0,0,0|1,1,0]=4 130 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|0,0,1]=3 131 B5R0.2 CC\C=C/CO 3214AL [2,0,0,0,0,0|1,0,1]=4 132 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|0,0,1]=3 133 B5R0.2 N#CCOC=O 7500AL [2,0,0,0,0,0|1,0,1]=4 134 B5R0.3 CCC(=O)NC 7273AF [2,0,0,0,0,0|1,0,0]=3 135 B5R0.3 CCC(=O)NN 6023AE [2,0,0,0,0,0|2,0,0]=4 136 B5R0.3 CCC(C)CC 6117AL [2,0,0,0,0,0|1,0,1]=4 137 B5R0.3 CCN(C)CC 7490AH [2,0,0,0,0,0|2,0,0]=4 138 B5R0.3 COS(=O)OC 6871AF [2,0,0,0,0,0|2,0,0]=4 139 B7R0.2 CC(C)NC(=O)CN 6712AE [1,1,0,0,0,0|2,0,0]=4 140 B7R0.2 CC(C)OC(=O)CN Y6052 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|0,0,0]=2 142 B7R0.2 CCC(=O)OC(C)C 7522AF [1,1,0,0,0,0|0,0,0]=2 143 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|1,0,0]=3 144 B7R0.2 COC(=O)CN(C)C X7323 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.5 CC(C)C(=O)CC#N W5204 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [1,1,0,0,0,0|1,0,0]=3 147 B7R0.5 CCOC(=O)C(F)Cl 2611AE [1,1,0,0,0,0|1,0,0]=3 148 B7R0.5 CCOC(=O)C(F)I 2612AE [1,1,0,0,0,0|1,0,0]=3 149 B7R0.7 CCCC(C)CCC 6609AL [1,1,0,0,0,0|1,0,1]=4 150 B7R0.7 CCCC(O)CCC 6512AL [1,1,0,0,0,0|0,0,2]=4 151 B7R0.7 CCCC(S)CCO U459 [1,1,0,0,0,0|0,1,1]=4 152 B7R0.7 CCNC(=O)CC#N 4652AD [1,1,0,0,0,0|1,0,1]=4 153 B7R0.7 CCNC(=O)CCCl 3193AE [1,1,0,0,0,0|1,0,0]=3 154 B7R0.7 CCOC(=O)OCCl Z4637 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.7 CCOC(=O)\C=C\I V5131 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|0,0,2]=4 157 B7R0.7 CCOC(C)OCC U086 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.7 COCC(=O)COC 9752AA [1,1,0,0,0,0|1,0,0]=3 159 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|1,0,0]=3 160 B7R0.10 CCC(C)C(=O)NN 8409AE [1,1,0,0,0,0|2,0,0]=4 161 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|1,0,0]=3 162 B7R0.10 CNC(C)C(=O)OC 4207AJ [1,1,0,0,0,0|2,0,0]=4 163 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.10 COC(=O)C(C)OC X3976 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,1,0,0,0,0|2,0,0]=4 166 B7R0.10 COC(=O)[C@@H](O)CO X8639 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [1,1,0,0,0,0|2,0,0]=4 168 B7R0.10 COC(=O)[C@H](C)CO X3275 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [1,1,0,0,0,0|2,0,0]=4 170 B7R0.10 COC(=O)[C@H](N)CS 8434AE [1,1,0,0,0,0|2,0,0]=4 171 B7R0.10 COC(=O)[C@H](O)CO 9042AH [1,1,0,0,0,0|2,0,0]=4 172 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [1,1,0,0,0,0|2,0,0]=4 173 B7R0.11 CCS(=O)(=O)CCCl 8368AD [1,1,0,0,0,0|2,0,0]=4 174 B7R0.12 CCN(CCO)N=O 8548AL [1,1,0,0,0,0|2,0,0]=4 175 B7R0.4 CC(=O)CCCCCl D718 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.4 CCCCSC(C)=O 3195AL [1,1,0,0,0,0|0,1,0]=3 177 B7R0.4 CCCOCC(=O)O 5344AE [1,1,0,0,0,0|1,0,0]=3 178 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|2,0,0]=4 179 B7R0.4 COCCCC(=O)O 2917AB [1,1,0,0,0,0|2,0,0]=4 180 B7R0.4 NCCCCC(=O)O 9495AB [1,1,0,0,0,0|2,0,0]=4 181 B7R0.4 O=C(O)COCCCl Y5074 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.6 CC(=O)CNC(C)=O 2096AC [1,1,0,0,0,0|1,0,1]=4 183 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [1,1,0,0,0,0|2,0,0]=4 184 B7R0.8 CCCOS(C)(=O)=O 8882AL [1,1,0,0,0,0|1,0,0]=3 185 B7R0.1 CCCC#CCCC 7932AF [1,1,0,0,0,0|1,0,1]=4 186 B7R0.1 CCCC#CCCO 5337AH [1,1,0,0,0,0|1,0,1]=4 187 B7R0.1 CCCCCCOC 8052AL [1,1,0,0,0,0|1,0,1]=4 188 B7R0.1 CCCCSCCO 5039AL [1,1,0,0,0,0|2,0,0]=4 189 B7R0.1 CCCNCCCN 1645AB [1,1,0,0,0,0|1,0,1]=4 190 B7R0.1 CCC\C=C/CCC 7451AL [1,1,0,0,0,0|1,0,0]=3 191 B7R0.1 CCNCCCCO 2370AE [1,1,0,0,0,0|2,0,0]=4 192 B7R0.1 CC\C=C/CCCO 7447AL [1,1,0,0,0,0|1,0,0]=3 193 B9R0.5 CCOC(=O)COCCCl W3753 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.5 COCCOC(=O)CC#N I778 [0,2,0,0,0,0|0,0,1]=3 195 B9R0.8 CCCCC(=O)N(C)OC 5475AA [0,2,0,0,0,0|2,0,0]=4 196 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.8 CCCOC(=O)C(C)CC 4721AB [0,2,0,0,0,0|0,0,0]=2 198 B9R0.18 CCCCS(=O)CCCC S178 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.18 CCCOS(=O)OCCC 7736AL [0,2,0,0,0,0|1,0,0]=3 200 B9R0.18 O=C(NCCCl)NCCCl Z2248 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,2,0,0,0,0|1,0,0]=3 203 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,2,0,0,0,0|1,0,0]=3 205 B9R0.6 CCOC(=O)C(=O)C(C)Br 5871AE [0,2,0,0,0,0|2,0,0]=4 206 B9R0.23 CC(C)C[C@H](N)C(=O)CCl 7883AB [0,2,0,0,0,0|2,0,0]=4 207 B9R0.23 COC(=O)C(=O)CC(C)C X2959 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [0,2,0,0,0,0|1,0,1]=4 209 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,2,0,0,0,0|1,0,1]=4 210 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,2,0,0,0,0|1,0,0]=3 211 B9R0.46 COC(=O)CCCCCO 6266AB [0,2,0,0,0,0|2,0,0]=4 212 B9R0.47 C=C(C)C(=O)NCCCC 2777AB [0,2,0,0,0,0|1,0,1]=4 213 B9R0.47 C=C(C)C(=O)NCCCN W8119 [0,2,0,0,0,0|1,0,1]=4 214 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [0,2,0,0,0,0|1,0,1]=4 215 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [0,2,0,0,0,0|0,0,0]=2 216 B9R0.13 CCCCC(CC)C(=O)[O-] O278 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.13 CCCCC(CC)C(=O)[O-] O279 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.13 CCCCC(CC)C(=O)[O-] V1132 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.22 CCC(C)(C)NC(=O)CCl 2332AE [0,2,0,0,0,0|2,0,0]=4 220 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,1,0,0|2,0,0]=4 221 B7R1.1 COC1=NCCC1 7443AB [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|1,0,0]=3 223 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|2,0,0]=4 224 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|2,0,0]=4 225 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 NN1CCCCC1 O184 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|1,0,0]=3 229 B7R1.3 O=C1CCCSC1 Z4344 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.3 O=C1CCNCC1 5781AB [1,0,0,1,0,0|1,0,0]=3 231 B7R1.3 O=C1COCCO1 3182AB [1,0,0,1,0,0|1,0,0]=3 232 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|0,0,0]=2 234 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|1,0,0]=3 235 B7R1.4 CC1SCCC1=O 6512AA [1,0,0,1,0,0|1,0,0]=3 236 B7R1.4 CN1CCCC1=S 4914AL [1,0,0,1,0,0|1,1,0]=4 237 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|2,0,0]=4 238 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,1,0,0|1,0,0]=3 239 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|1,0,0]=3 240 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [1,0,0,1,0,0|2,0,0]=4 241 B7R1.18 CC(=O)C1CCC1 9513AD [1,0,0,1,0,0|1,0,0]=3 242 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,1,0,1,0,0|1,0,0]=3 243 B9R1.7 CCOC1C=CC(=O)O1 2768AB [0,1,0,1,0,0|0,0,2]=4 244 B9R1.8 CNCC1CCCCO1 7421AH [0,1,0,1,0,0|1,0,1]=4 245 B9R1.8 CNCC1CCCCO1 8651AE [0,1,0,1,0,0|1,0,1]=4 246 B9R1.8 NCCC1CCCCO1 1296AJ [0,1,0,1,0,0|1,0,1]=4 247 B9R1.15 CCN1CCNCC1=O Y9576 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.15 COC1CCCCC1=O 5686AL [0,1,0,1,0,0|1,0,0]=3 249 B9R1.15 N#CC1CCCCC1=O 6221AB [0,1,0,1,0,0|1,0,1]=4 250 B9R1.33 NCCN1CCCC1=O 1932AB [0,1,0,1,0,0|2,0,0]=4 251 B9R1.33 O=C1CCCN1CCCl 7142AB [0,1,0,1,0,0|2,0,0]=4 252 B9R1.33 O=C1NCCN1CCCl W4752 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.33 O=C1OCCN1CCO 0596AE [0,1,0,1,0,0|2,0,0]=4 254 B9R1.48 O=C1CCCCC(=O)C1 X9379 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.48 O=C1CCCCC(=O)O1 0435AB [0,1,0,1,0,0|0,0,1]=3 256 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,1,0,1,0,0|1,0,0]=3 257 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,1,0,1,0,0|1,0,0]=3 259 B9R1.73 CCOC(=O)C1CNC1 W6099 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.73 N#CCC(=O)C1CCC1 2989AA [0,1,0,1,0,0|1,0,1]=4 261 B9R1.5 CN1CCCNCC1=O W7308 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.5 NC1CCCCNC1=O W5198 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,1,0,1,0,0|1,0,0]=3 264 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.11 COC(=O)C1CCOC1 3589AL [0,1,0,1,0,0|2,0,0]=4 269 B9R1.11 COC(=O)[C@@H]1CCNC1 W8977 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.11 COC(=O)[C@H]1CCNC1 X8929 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.11 O=C(CBr)N1CCCC1 2846AF [0,1,0,1,0,0|2,0,0]=4 272 B9R1.82 COC(=O)C1CC(Cl)C1 8033AA [0,1,0,1,0,0|2,0,0]=4 273 B9R1.82 COC(=O)C1CC(N)C1 6340AA [0,1,0,1,0,0|2,0,0]=4 274 B9R1.82 COC(=O)C1CC(O)C1 6687AB [0,1,0,1,0,0|2,0,0]=4 275 B9R1.186 COC(=O)C1(N)CCC1 W9541 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.1 COC1CCC(=O)CC1 X9889 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.1 N#CC1CCC(=O)CC1 W5655 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.1 O=C1CCC(CO)CC1 Y8952 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.79 COC(=O)CC1CNC1 4200AJ [0,1,0,1,0,0|2,0,0]=4 280 B9R1.89 ON=C1CCCCCC1 7507AL [0,1,0,1,0,0|1,0,1]=4 281 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [0,1,0,1,0,0|1,0,1]=4 282 B9R1.40 CC1(C)NCCNC1=O W4622 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.10 O=C1CCC(F)(F)CC1 X3081 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.113 COC(=O)CC1(N)CC1 X6363 [0,1,0,1,0,0|2,0,0]=4 285 B9R2.109 O=C1CCCC2OC12 7860AE [0,0,0,2,0,0|2,0,0]=4