0 B8R1.3 CC1CCC(C)CC1 7953AF [0,0,0,0,0,0|1,0,1]=2 1 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 CN1CCC(=O)CC1 A394 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.3 CN1CCC(Br)CC1 7812AB [0,0,0,0,0,0|2,0,1]=3 4 B8R1.3 CN1CCC(Br)CC1 N805 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,0,0,0,0,0|1,0,1]=2 6 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,0,0,0,0,0|1,0,1]=2 7 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,0,0,0,0,0|1,0,1]=2 8 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 9194AL [0,0,0,0,0,0|2,0,1]=3 9 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,0,0,0,0|2,0,0]=2 10 B8R1.3 NC1CCC(O)CC1 W7862 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.3 NN1CCC(O)CC1 2414AC [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,0,0,0,0,0|2,0,0]=2 13 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,0,0,0,0,0|2,0,1]=3 14 B8R1.3 O=C1CCS(=O)CC1 5611AD [0,0,0,0,0,0|2,0,0]=2 15 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.3 O[C@H]1CC[C@@H](O)CC1 U023 [0,0,0,0,0,0|1,0,2]=3 17 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,0,0,0|0,0,3]=4 19 B7R1.3 CC1=CCCNC1 V9748 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,0,0,0|0,0,3]=4 21 B7R1.3 CC1CCCCN1 7117AB [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 CC1CCOCO1 8171AJ [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 C[C@H]1CNCCO1 W8218 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,0,0,0|1,0,1]=3 25 B7R1.3 ClN1CCOCC1 X5216 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 FC1CCCCC1 1850AE [1,0,0,0,0,0|1,0,1]=3 27 B7R1.3 IC1CCNCC1 Z9919 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 IC1CCOCC1 W4893 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 NC1CC=CCC1 3966AJ [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 NC1CCCOC1 X9447 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 N[C@H]1CCCNC1 Y4134 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,0,0,0|1,0,2]=4 33 B7R1.3 O=C1C=CCOC1 6867AC [1,0,0,0,0,0|1,0,2]=4 34 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 S=C1NCCCS1 5563AE [1,0,0,0,0,0|2,1,0]=4 36 B9R1.1 CC1CCC(=CBr)CC1 V7740 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.1 CC1CCC(=NO)CC1 4311AE [0,1,0,0,0,0|0,0,1]=2 38 B9R1.1 CC1CCC(CBr)CC1 4986AJ [0,1,0,0,0,0|1,0,1]=3 39 B9R1.1 CC1CCC(CO)CC1 X3443 [0,1,0,0,0,0|0,0,2]=3 40 B9R1.1 CCC1CCC(C)CC1 4854AL [0,1,0,0,0,0|1,0,1]=3 41 B9R1.1 CCN1CCC(N)CC1 V5477 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.1 CN1CCC(=NO)CC1 Y7601 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.1 CN1CCC(CBr)CC1 7208AC [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 CN1CCC(CN)CC1 Y7197 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 CN1CCC(NN)CC1 2823AJ [0,1,0,0,0,0|2,0,1]=4 46 B9R1.1 CN1CCC(NN)CC1 7131AB [0,1,0,0,0,0|2,0,1]=4 47 B9R1.1 CNC1CCC(C)CC1 V8892 [0,1,0,0,0,0|1,0,1]=3 48 B9R1.1 COC1CCC(C)CC1 4894AL [0,1,0,0,0,0|0,0,2]=3 49 B9R1.1 COC1CCC(N)CC1 Z4754 [0,1,0,0,0,0|1,0,1]=3 50 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 3942AJ [0,1,0,0,0,0|1,0,1]=3 51 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 3943AJ [0,1,0,0,0,0|1,0,1]=3 52 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 1213AF [0,1,0,0,0,0|1,0,2]=4 53 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,1,0,0,0,0|1,0,0]=2 54 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,1,0,0,0,0|0,0,1]=2 55 B9R1.10 CC1(C)CC=C(Br)CC1 Y3535 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.10 CC1(O)CCC(=O)CC1 9011AA [0,1,0,0,0,0|0,0,0]=1 57 B9R1.10 CC1(O)CCC(N)CC1 2613AJ [0,1,0,0,0,0|1,0,1]=3 58 B9R1.10 CC1(O)CCC(N)CC1 2614AJ [0,1,0,0,0,0|1,0,1]=3 59 B9R1.10 CC1(O)CCC(N)CC1 9330AA [0,1,0,0,0,0|1,0,1]=3 60 B9R1.10 CC1CCC(C)(C)CC1 4337AL [0,1,0,0,0,0|1,0,1]=3 61 B9R1.10 O=S1(=O)CCC(Br)CC1 2691AJ [0,1,0,0,0,0|2,0,0]=3 62 B9R1.10 OC1CCC(F)(F)CC1 W4617 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,0,0,0|1,0,0]=2 64 B9R1.69 CC1CC(N)CCN1C 5009AJ [0,1,0,0,0,0|2,0,1]=4 65 B9R1.69 CC1CCC(=O)CC1C 2294AL [0,1,0,0,0,0|0,0,0]=1 66 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,0,0,0|1,0,2]=4 67 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,1,0,0,0,0|1,0,1]=3 68 B9R1.69 CC1CN(C)CCC1N 9622AH [0,1,0,0,0,0|2,0,1]=4 69 B9R1.69 CC1CNC(=O)N(C)C1 3005AD [0,1,0,0,0,0|2,0,0]=3 70 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,1,0,0,0,0|2,0,0]=3 71 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 1466AA [0,1,0,0,0,0|2,0,0]=3 72 B9R1.69 NC1CCC(=O)NC1=O 1594AB [0,1,0,0,0,0|2,0,1]=4 73 B9R1.69 N[C@H]1CCC(=O)NC1=O 9164AH [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 C=C(CC)CCCC 5608AL [0,0,1,0,0,0|1,0,0]=2 75 B7R0.3 C=CCCC(Br)CBr 4446AL [0,0,1,0,0,0|3,0,0]=4 76 B7R0.3 CCC(=O)NCCN 3366AF [0,0,1,0,0,0|2,0,0]=3 77 B7R0.3 CCC(Cl)CCCCl 4475AE [0,0,1,0,0,0|2,0,1]=4 78 B7R0.3 CCCCC(C)CC 6251AE [0,0,1,0,0,0|1,0,1]=3 79 B7R0.3 CCCCC(O)CC 8762AB [0,0,1,0,0,0|0,0,2]=3 80 B7R0.3 CCCNC(=O)CN V6930 [0,0,1,0,0,0|2,0,0]=3 81 B7R0.3 CCCNC(C)CC 2356AE [0,0,1,0,0,0|2,0,1]=4 82 B7R0.3 CCC\C=C(/C)CC 6104AL [0,0,1,0,0,0|1,0,1]=3 83 B7R0.3 CCN(C)CCC#N 5584AE [0,0,1,0,0,0|2,0,1]=4 84 B7R0.3 CCN(C)CCCO 4272AE [0,0,1,0,0,0|1,0,2]=4 85 B7R0.3 CCNCC(=O)OC 2143AA [0,0,1,0,0,0|2,0,0]=3 86 B7R0.3 CCNCC(=O)OC 2988AC [0,0,1,0,0,0|2,0,0]=3 87 B7R0.3 CCOCC(=O)NN 2388AE [0,0,1,0,0,0|3,0,0]=4 88 B7R0.3 CCOCC(N)CC 8270AE [0,0,1,0,0,0|2,0,1]=4 89 B7R0.3 CNCCC(=O)NC 5845AE [0,0,1,0,0,0|2,0,0]=3 90 B7R0.3 COC(=N)CCCCl 2164AC [0,0,1,0,0,0|3,0,0]=4 91 B7R0.3 COC(=O)CCC=O W3030 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.3 COC(=O)CCCS X9990 [0,0,1,0,0,0|2,0,0]=3 93 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,0,1,0,0,0|1,0,2]=4 94 B7R0.3 NCC(=O)NCCO 0947AF [0,0,1,0,0,0|3,0,0]=4 95 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,1,0,0,0|1,0,2]=4 96 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,1,0,0,0|1,0,0]=2 97 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,1,0,0,0|1,0,0]=2 98 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,1,0,0,0|2,0,1]=4 99 B7R0.6 CC(C)CCC(=O)O 9893AB [0,0,1,0,0,0|1,0,0]=2 100 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,0,1,0,0,0|1,0,1]=3 101 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,1,0,0,0|1,0,1]=3 102 B7R0.6 CC(C)NCC(N)=O V7257 [0,0,1,0,0,0|2,0,0]=3 103 B7R0.6 CN(C)CCN(C)C 2336AA [0,0,1,0,0,0|3,0,0]=4 104 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,1,0,0,0|2,0,0]=3 105 B9R2.49 C1CC2CCC1CN2 2711AB [0,0,0,1,0,0|1,0,1]=3 106 B9R2.49 C1CC2CCC1CN2 6065AE [0,0,0,1,0,0|1,0,1]=3 107 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,0,1,0|2,0,1]=4 108 B7R1.2 CC1CNC(=S)N1 7200AD [0,0,0,0,1,0|2,1,0]=4 109 B7R1.2 CN1CCC(=O)C1 B871 [0,0,0,0,1,0|1,0,0]=2 110 B7R1.2 CN1CCC(Br)C1 1332AA [0,0,0,0,1,0|2,0,1]=4 111 B7R1.2 CN1CCC(N)C1 X9823 [0,0,0,0,1,0|2,0,1]=4 112 B7R1.2 CN1CC[C@@H](N)C1 8951AH [0,0,0,0,1,0|2,0,1]=4 113 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,0,0,0,1,0|2,0,1]=4 114 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,0,0,0,1,0|2,0,0]=3 115 B7R1.2 C[C@H]1CC[C@H](C)N1 8587AH [0,0,0,0,1,0|2,0,1]=4 116 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,0,1,0|1,0,2]=4 117 B7R1.2 NC1CNC(=O)C1 4028AC [0,0,0,0,1,0|2,0,0]=3 118 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [0,0,0,0,1,0|1,0,2]=4 119 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,0,1,0|1,0,2]=4 120 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,0,1,0|1,0,0]=2 121 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,0,1,0|2,0,0]=3 122 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,0,1,0|2,0,1]=4 123 B7R1.2 O=C1CNC(S)S1 5679AL [0,0,0,0,1,0|3,0,0]=4 124 B7R1.2 O=C1OCC(Cl)O1 E933 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,0,0,0,1|1,0,0]=2 126 B9R1.49 CN1CCCC(N)CC1 3590AF [0,0,0,0,0,1|2,0,1]=4 127 B6R0.1 CCC(=O)CSC K829 [1,0,1,0,0,0|1,0,0]=3 128 B6R0.1 CCCC(=O)SC 8847AJ [1,0,1,0,0,0|1,0,0]=3 129 B6R0.1 CCCC(Br)CC 3975AB [1,0,1,0,0,0|1,0,1]=4 130 B6R0.1 CCCC(C)CC 7810AF [1,0,1,0,0,0|0,0,1]=3 131 B6R0.1 CCCC(C)CO 1207AA [1,0,1,0,0,0|1,0,1]=4 132 B6R0.1 CCCC(O)CC 7557AF [1,0,1,0,0,0|0,0,2]=4 133 B6R0.1 CCNC(C)CC 7145AD [1,0,1,0,0,0|1,0,1]=4 134 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 CC[C@H](C)CCO 4202AL [1,0,1,0,0,0|0,0,1]=3 136 B6R0.1 CNC(=O)CCN 4757AE [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 CNC(=O)CCO 8079AE [1,0,1,0,0,0|2,0,0]=4 138 B6R0.1 COC(=O)CCCl X6204 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.1 COCC(=O)OC J70196 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 C[C@H](CO)CCO 1249AL [1,0,1,0,0,0|1,0,1]=4 141 B6R0.4 C=C(C)CCCC 5699AL [1,0,1,0,0,0|1,0,0]=3 142 B6R0.4 C=C(C)CCCO 2774AL [1,0,1,0,0,0|2,0,0]=4 143 B6R0.4 C=CCCC(C)C 6791AL [1,0,1,0,0,0|0,0,1]=3 144 B6R0.4 CC(=O)NCCCl W8163 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.4 CC(=O)OCCCl 7237AF [1,0,1,0,0,0|2,0,0]=4 146 B6R0.4 CC(=O)SCCN 5884AD [1,0,1,0,0,0|2,0,0]=4 147 B6R0.4 CC(C)CCC=O Y1162 [1,0,1,0,0,0|0,0,0]=2 148 B6R0.4 CC(C)CCCCl 6814AE [1,0,1,0,0,0|1,0,1]=4 149 B6R0.4 CC(C)CCCN 7575AF [1,0,1,0,0,0|1,0,1]=4 150 B6R0.4 CCCC=C(C)C 5704AL [1,0,1,0,0,0|1,0,1]=4 151 B6R0.4 CCCCC(=O)Br 7391AF [1,0,1,0,0,0|1,0,0]=3 152 B6R0.4 CCCCC(C)C 5734AL [1,0,1,0,0,0|0,0,1]=3 153 B6R0.4 CCCCC(C)Cl 5578AL [1,0,1,0,0,0|1,0,1]=4 154 B6R0.4 CCCCC(C)O 9467AB [1,0,1,0,0,0|0,0,2]=4 155 B6R0.4 CCCNC(C)C 7560AH [1,0,1,0,0,0|1,0,1]=4 156 B6R0.4 CCCSC(C)C 8111AL [1,0,1,0,0,0|1,0,1]=4 157 B6R0.4 CCNCC(=O)O X5133 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.4 CNCCC(=O)O 5026AF [1,0,1,0,0,0|2,0,0]=4 159 B6R0.4 CNCCN(C)C J70105 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.4 COCCC(C)=O B939 [1,0,1,0,0,0|1,0,0]=3 161 B6R0.4 C\C=C\CC(C)C 6798AL [1,0,1,0,0,0|0,0,1]=3 162 B6R0.4 NC(=O)CCCCl Y1653 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.4 O=C(O)CCCS 7264AF [1,0,1,0,0,0|2,0,0]=4 164 B6R0.6 C=CCSCCC R577 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.6 CC#CCCCC 5638AL [1,0,1,0,0,0|0,0,2]=4 166 B6R0.6 CCCCCC#N 8042AL [1,0,1,0,0,0|1,0,1]=4 167 B6R0.6 CCCCCSC 7567AF [1,0,1,0,0,0|1,0,1]=4 168 B6R0.6 CCCCOCC 7302AL [1,0,1,0,0,0|1,0,0]=3 169 B6R0.6 CCCCOCCl S779 [1,0,1,0,0,0|2,0,0]=4 170 B6R0.6 CCCOCCC 7558AF [1,0,1,0,0,0|1,0,1]=4 171 B6R0.6 CCCSCCC 7569AF [1,0,1,0,0,0|1,0,1]=4 172 B6R0.6 CCC\C=C/CO 7423AL [1,0,1,0,0,0|1,0,1]=4 173 B6R0.6 CCNCCCN 8239AC [1,0,1,0,0,0|2,0,0]=4 174 B6R0.6 CCNCCCO 5711AJ [1,0,1,0,0,0|2,0,0]=4 175 B6R0.6 CCOCCCO D587 [1,0,1,0,0,0|2,0,0]=4 176 B6R0.6 CCOCCNC 5385AD [1,0,1,0,0,0|2,0,0]=4 177 B6R0.6 CC\C=C\CCC 9219AL [1,0,1,0,0,0|0,0,1]=3 178 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|0,0,1]=3 179 B6R0.6 C\C=C/CCCCl 7455AL [1,0,1,0,0,0|1,0,1]=4 180 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|0,0,1]=3 181 B6R0.6 C\C=C\SCCC U946 [1,0,1,0,0,0|1,0,1]=4 182 B6R0.6 O=CCCCCO Z3600 [1,0,1,0,0,0|1,0,0]=3 183 B6R1.1 C1CCNNC1 6958AB [2,0,0,0,0,0|2,0,0]=4 184 B6R1.1 C1CCONC1 1721AE [2,0,0,0,0,0|2,0,0]=4 185 B6R1.1 C1COCCO1 7285AL [2,0,0,0,0,0|2,0,0]=4 186 B6R1.1 C1CSCCN1 8883AB [2,0,0,0,0,0|2,0,0]=4 187 B8R0.1 CCCC(C)COC=O 5740AL [0,1,1,0,0,0|1,0,0]=3 188 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,1,0,0,0|0,0,0]=2 189 B8R0.1 CCCCC(Br)CCC 7975AF [0,1,1,0,0,0|1,0,1]=4 190 B8R0.1 CCCNC(=O)CC#N 4929AE [0,1,1,0,0,0|1,0,1]=4 191 B8R0.1 CCCNC(=O)CCN 2039AD [0,1,1,0,0,0|1,0,0]=3 192 B8R0.1 CCCNC(=O)CNC 2661AF [0,1,1,0,0,0|1,0,0]=3 193 B8R0.1 CCCNC(=O)CNC 8106AC [0,1,1,0,0,0|1,0,0]=3 194 B8R0.1 CNCC(=O)NCCO 2049AD [0,1,1,0,0,0|2,0,0]=4 195 B8R0.1 COCCC(=O)CC#N 3252AJ [0,1,1,0,0,0|1,0,1]=4 196 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,1,1,0,0,0|0,0,1]=3 197 B8R0.1 NCCC(=O)NCCO 2327AD [0,1,1,0,0,0|2,0,0]=4 198 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,1,0,0,0|1,0,0]=3 199 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,1,1,0,0,0|2,0,0]=4 200 B8R0.6 C=CCCCC(=O)OC 6778AL [0,1,1,0,0,0|1,0,1]=4 201 B8R0.6 CCC(C)NCCC#N 7315AD [0,1,1,0,0,0|1,0,1]=4 202 B8R0.6 CCC(C)NCCCN 0775AF [0,1,1,0,0,0|1,0,1]=4 203 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,1,0,0,0|1,0,0]=3 204 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,1,0,0,0|1,0,0]=3 205 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,1,0,0,0|1,0,0]=3 206 B8R0.6 CCOCCC(=O)NN 2006AE [0,1,1,0,0,0|2,0,0]=4 207 B8R0.6 COC(=O)CCCCN 9801AB [0,1,1,0,0,0|1,0,0]=3 208 B8R0.6 COC(=O)CCCCO Z9406 [0,1,1,0,0,0|1,0,0]=3 209 B8R0.6 COCCNC(=O)CN 2350AD [0,1,1,0,0,0|2,0,0]=4 210 B8R0.6 NCC(=O)NCCCO 2231AD [0,1,1,0,0,0|2,0,0]=4 211 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,1,1,0,0,0|2,0,0]=4 212 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,1,0,0,0|0,0,0]=2 213 B8R0.8 CCCCC(C)C(C)C 5236AL [0,1,1,0,0,0|1,0,1]=4 214 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,1,0,0,0|1,0,0]=3 215 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,1,1,0,0,0|2,0,0]=4 216 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,1,1,0,0,0|2,0,0]=4 217 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,1,1,0,0,0|2,0,0]=4 218 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,1,0,0,0|1,0,1]=4 219 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,1,0,0,0|0,0,1]=3 220 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,1,0,0,0|0,0,0]=2 221 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,1,0,0,0|1,0,1]=4 222 B8R0.9 CCC(C)CCC(C)O 6794AL [0,1,1,0,0,0|0,0,2]=4 223 B8R0.9 CCS(=O)CCC(=O)O 4032AD [0,1,1,0,0,0|2,0,0]=4 224 B8R0.19 CCC(C)CC(O)CC 7996AF [0,1,1,0,0,0|0,0,2]=4 225 B8R0.19 CCC(C)NC(=O)CCl 0194AE [0,1,1,0,0,0|2,0,0]=4 226 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,1,1,0,0,0|2,0,0]=4 227 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [0,1,1,0,0,0|1,0,0]=3 228 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,1,1,0,0,0|2,0,0]=4 229 B8R0.25 CCCCC(C)(C)CC 5875AL [0,1,1,0,0,0|1,0,1]=4 230 B8R0.25 CCCCC(C)(O)CC 6103AL [0,1,1,0,0,0|0,0,2]=4 231 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,1,0,0,0|0,0,1]=3 232 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,1,0,0,0|0,0,0]=2 233 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,1,0,0,0|0,0,1]=3 234 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [0,1,1,0,0,0|1,0,1]=4 235 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,1,1,0,0,0|1,0,1]=4 236 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,1,0,0,0|2,0,0]=4 237 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,1,1,0,0,0|1,0,0]=3 238 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,1,1,0,0,0|2,0,0]=4 239 B8R0.29 CC(C)CCC(C)(C)C 8138AF [0,1,1,0,0,0|1,0,1]=4 240 B8R0.29 CC(C)CCC(C)(C)Cl 5559AL [0,1,1,0,0,0|1,0,1]=4 241 B8R0.29 CC(C)CNS(C)(=O)=O 7559AH [0,1,1,0,0,0|2,0,0]=4 242 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,1,1,0,0,0|2,0,0]=4 243 B8R1.2 BrCC1CCCCN1 4115AB [1,1,0,0,0,0|1,0,1]=4 244 B8R1.2 BrCC1CCCOC1 2659AA [1,1,0,0,0,0|1,0,1]=4 245 B8R1.2 BrCC1CCNCC1 X0255 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.2 C#CC1CCOCC1 0859AD [1,1,0,0,0,0|1,0,1]=4 247 B8R1.2 C=CC1CCCCC1 Z3463 [1,1,0,0,0,0|0,0,2]=4 248 B8R1.2 CCC1CCCCC1 8567AA [1,1,0,0,0,0|0,0,1]=3 249 B8R1.2 CCC1CCCNC1 6423AA [1,1,0,0,0,0|1,0,1]=4 250 B8R1.2 CC[C@@H]1CCCCN1 0072AQ [1,1,0,0,0,0|1,0,1]=4 251 B8R1.2 CNC1CCCNC1 7535AA [1,1,0,0,0,0|1,0,1]=4 252 B8R1.2 CNC1CCCOC1 2031AJ [1,1,0,0,0,0|1,0,1]=4 253 B8R1.2 CNC1CCCOC1 4420AJ [1,1,0,0,0,0|1,0,1]=4 254 B8R1.2 COC1CCCCC1 7515AL [1,1,0,0,0,0|0,0,1]=3 255 B8R1.2 CSC1CCNCC1 W4370 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.2 FCC1CCCCN1 1886AF [1,1,0,0,0,0|1,0,1]=4 257 B8R1.2 FCC1CCNCC1 9762AE [1,1,0,0,0,0|1,0,0]=3 258 B8R1.2 ICC1CCNCC1 6189AJ [1,1,0,0,0,0|1,0,0]=3 259 B8R1.2 N#CC1CC=CCC1 6461AL [1,1,0,0,0,0|0,0,2]=4 260 B8R1.2 N#CC1CCSCC1 0101AB [1,1,0,0,0,0|1,0,1]=4 261 B8R1.2 NCC1=CCCCC1 3737AB [1,1,0,0,0,0|1,0,1]=4 262 B8R1.2 NCC1CCCCN1 8197AB [1,1,0,0,0,0|1,0,1]=4 263 B8R1.2 NCC1CCCCO1 Y9814 [1,1,0,0,0,0|1,0,1]=4 264 B8R1.2 NNC1CCNCC1 2019AE [1,1,0,0,0,0|2,0,0]=4 265 B8R1.2 O=CC1=CCCOC1 Z4103 [1,1,0,0,0,0|1,0,1]=4 266 B8R1.2 O=CC1CCCCN1 X3865 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.2 O=CC1CCCNC1 4398AB [1,1,0,0,0,0|1,0,1]=4 268 B8R1.2 O=CC1CCNCC1 0201AP [1,1,0,0,0,0|1,0,1]=4 269 B8R1.2 O=NN1CCOCC1 8616AL [1,1,0,0,0,0|2,0,0]=4 270 B8R1.2 OCC1CCCNC1 W3153 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.2 OCC1CCNCC1 J70061 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.2 OCC1CCOCO1 6434AB [1,1,0,0,0,0|2,0,0]=4 273 B8R1.2 OCC1CCSCC1 Y6767 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.4 CC1CC(=O)CCN1 1072AC [1,1,0,0,0,0|1,0,0]=3 275 B8R1.4 CC1CC(=O)CCN1 6568AA [1,1,0,0,0,0|1,0,0]=3 276 B8R1.4 CC1CC(N)CCO1 1818AJ [1,1,0,0,0,0|1,0,1]=4 277 B8R1.4 CC1CC(O)CCN1 1810AJ [1,1,0,0,0,0|1,0,1]=4 278 B8R1.4 CC1CCCC(N)C1 W7860 [1,1,0,0,0,0|0,0,1]=3 279 B8R1.4 CC1CCOC(C)O1 5310AL [1,1,0,0,0,0|2,0,0]=4 280 B8R1.4 CC1CN(C)CCN1 Z2448 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.4 CC1CNCC(=O)N1 3610AJ [1,1,0,0,0,0|2,0,0]=4 282 B8R1.4 CC1COCC(=O)N1 V7159 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.4 CN1CCC=C(Br)C1 2180AJ [1,1,0,0,0,0|1,0,1]=4 284 B8R1.4 CN1CCCC(=O)C1 9933AH [1,1,0,0,0,0|1,0,0]=3 285 B8R1.4 CN1CCCC(=O)C1 9934AH [1,1,0,0,0,0|1,0,0]=3 286 B8R1.4 CN1CCCC(=O)C1 W6919 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [1,1,0,0,0,0|1,0,1]=4 288 B8R1.4 CN1CCC[C@@H](O)C1 Z2109 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.4 CN1CCC[C@H](N)C1 9156AH [1,1,0,0,0,0|1,0,1]=4 290 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [1,1,0,0,0,0|1,0,1]=4 291 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [1,1,0,0,0,0|0,0,1]=3 292 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [1,1,0,0,0,0|2,0,0]=4 293 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [1,1,0,0,0,0|2,0,0]=4 294 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [1,1,0,0,0,0|0,0,1]=3 295 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [1,1,0,0,0,0|1,0,1]=4 296 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [1,1,0,0,0,0|1,0,1]=4 297 B8R1.4 O=C1CSCC(=O)C1 W7877 [1,1,0,0,0,0|1,0,1]=4 298 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 9191AL [1,1,0,0,0,0|0,0,2]=4 300 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [1,1,0,0,0,0|0,0,2]=4 301 B8R1.5 CC1CCCCC1C 4454AL [1,1,0,0,0,0|0,0,1]=3 302 B8R1.5 CC1CCCNC1C 7615AB [1,1,0,0,0,0|1,0,1]=4 303 B8R1.5 CC1CCCOC1=O 3885AL [1,1,0,0,0,0|1,0,0]=3 304 B8R1.5 CC1CCNCC1O 2895AJ [1,1,0,0,0,0|1,0,0]=3 305 B8R1.5 CC1CNCCC1O 3930AB [1,1,0,0,0,0|1,0,1]=4 306 B8R1.5 CC1COCCC1=O Z3955 [1,1,0,0,0,0|1,0,0]=3 307 B8R1.5 CC1COCCC1N 2364AJ [1,1,0,0,0,0|1,0,1]=4 308 B8R1.5 CC1COCCC1O 2365AJ [1,1,0,0,0,0|1,0,1]=4 309 B8R1.5 CC1OCCNC1=O 5590AJ [1,1,0,0,0,0|2,0,0]=4 310 B8R1.5 CN1CCNCC1=O 1842AA [1,1,0,0,0,0|2,0,0]=4 311 B8R1.5 CN1CCNCC1=O 7723AJ [1,1,0,0,0,0|2,0,0]=4 312 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [1,1,0,0,0,0|0,0,1]=3 313 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [1,1,0,0,0,0|1,0,0]=3 314 B8R1.5 C[C@@H]1CNCCN1C 8539AH [1,1,0,0,0,0|2,0,0]=4 315 B8R1.5 C[C@@H]1CNCCN1C 8540AH [1,1,0,0,0,0|2,0,0]=4 316 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [1,1,0,0,0,0|2,0,0]=4 317 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,1,0,0,0,0|0,0,1]=3 318 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,1,0,0,0,0|0,0,1]=3 319 B8R1.5 C[C@H]1CNCCN1C 9092AH [1,1,0,0,0,0|2,0,0]=4 320 B8R1.5 C[C@H]1NCCNC1=O 5574AC [1,1,0,0,0,0|2,0,0]=4 321 B8R1.5 FC1CCCCC1Br 7512AE [1,1,0,0,0,0|1,0,1]=4 322 B8R1.5 NC1CCCCC1=O 0726AC [1,1,0,0,0,0|0,0,0]=2 323 B8R1.5 NC1CCNCC1O 0385AQ [1,1,0,0,0,0|2,0,0]=4 324 B8R1.5 NC1COCCC1O Y6179 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.5 NN1CCCCC1=O 3513AB [1,1,0,0,0,0|1,0,0]=3 326 B8R1.5 NN1CCCCC1=O Z4590 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [1,1,0,0,0,0|1,0,0]=3 328 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [1,1,0,0,0,0|1,0,1]=4 329 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [1,1,0,0,0,0|0,0,2]=4 330 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [1,1,0,0,0,0|1,0,0]=3 331 B8R1.5 O=C1CCCC=C1Br V6293 [1,1,0,0,0,0|0,0,2]=4 332 B8R1.5 O=C1CCCCC1Cl 7902AJ [1,1,0,0,0,0|0,0,0]=2 333 B8R1.5 O=C1NCCCC1Br 4146AB [1,1,0,0,0,0|1,0,0]=3 334 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [1,1,0,0,0,0|0,0,2]=4 335 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [1,1,0,0,0,0|2,0,0]=4 336 B8R1.5 [NH-]C1CCCCC1[NH-] Z1842 [1,1,0,0,0,0|1,0,1]=4 337 B8R1.72 CC1(C)CCCCN1 1328AJ [1,1,0,0,0,0|1,0,1]=4 338 B8R1.72 CC1(N)CCCCC1 X6756 [1,1,0,0,0,0|0,0,1]=3 339 B8R1.72 CC1(N)CCCOC1 2360AJ [1,1,0,0,0,0|1,0,1]=4 340 B8R1.72 CC1(N)CCNCC1 6612AB [1,1,0,0,0,0|1,0,0]=3 341 B8R1.72 CC1(N)CCOCC1 0694AC [1,1,0,0,0,0|1,0,0]=3 342 B8R1.72 N=S1(=O)CCOCC1 X2152 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,1,0,0,1,0|1,0,1]=4 344 B8R1.1 CN1CCC(CBr)C1 4110AD [0,1,0,0,1,0|2,0,0]=4 345 B8R1.1 CN1CCC(CCl)C1 5705AJ [0,1,0,0,1,0|2,0,0]=4 346 B8R1.1 CN1CCC(CCl)C1 8710AB [0,1,0,0,1,0|2,0,0]=4 347 B8R1.1 CN1CCC(CN)C1 5417AA [0,1,0,0,1,0|2,0,0]=4 348 B8R1.1 CN1CC[C@@H](CO)C1 3687AA [0,1,0,0,1,0|2,0,0]=4 349 B8R1.1 CN1CC[C@H](CO)C1 9151AH [0,1,0,0,1,0|2,0,0]=4 350 B8R1.1 CNC1CCN(C)C1 Z3266 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.1 COC1=CC(=O)CC1 6398AB [0,1,0,0,1,0|0,0,2]=4 352 B8R1.1 NC[C@H]1CCC(=O)N1 X5489 [0,1,0,0,1,0|1,0,0]=3 353 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,0,1,0|1,0,0]=3 354 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,0,1,0|0,0,0]=2 355 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,0,1,0|2,0,0]=4 356 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,0,1,0|0,0,2]=4 357 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,0,1,0|0,0,2]=4 358 B8R1.50 CN1C(=O)CCC1O 5649AB [0,1,0,0,1,0|2,0,0]=4 359 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,0,1,0|1,0,1]=4 360 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,1,0,0,1,0|1,0,0]=3 361 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,1,0,0,1,0|0,0,0]=2 362 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,1,0,0,1,0|1,0,1]=4 363 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,1,0,0,1,0|2,0,0]=4 364 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,1,0,0,1,0|1,0,0]=3 365 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,1,0,0,1,0|2,0,0]=4 366 B8R1.51 NC1CCS(=O)(=O)C1 9651AB [0,1,0,0,1,0|2,0,0]=4 367 B8R1.51 [O]C1CCS(=O)(=O)C1 V3757 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,1,0,0,0,1|1,0,0]=3 369 B10R1.1 C=CCC1C=CC(=O)CC1 2970AE [0,2,0,0,0,0|0,0,2]=4 370 B10R1.1 C=CCN1CCC(=O)CC1 7068AD [0,2,0,0,0,0|1,0,0]=3 371 B10R1.1 CCCC1CC=C(Br)CC1 Z6635 [0,2,0,0,0,0|1,0,1]=4 372 B10R1.1 CCCC1CCC(N)CC1 6678AL [0,2,0,0,0,0|1,0,1]=4 373 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 9234AL [0,2,0,0,0,0|0,0,2]=4 374 B10R1.1 CN1CCC(CCN)CC1 V4272 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.1 NCCC1CCC(N)CC1 5012AL [0,2,0,0,0,0|1,0,1]=4 376 B10R1.1 NCCC1CCC(O)CC1 6179AL [0,2,0,0,0,0|0,0,2]=4 377 B10R1.1 O=C1CCC(CCO)CC1 3716AB [0,2,0,0,0,0|0,0,0]=2 378 B10R1.1 OCCC1CCC(O)CC1 6184AL [0,2,0,0,0,0|0,0,2]=4 379 B10R1.3 BrCC1CCC(CBr)CC1 9626AH [0,2,0,0,0,0|1,0,1]=4 380 B10R1.3 CCN1CCC(C=O)CC1 9836AH [0,2,0,0,0,0|1,0,1]=4 381 B10R1.3 CCN1CCC(NC)CC1 0997AF [0,2,0,0,0,0|2,0,0]=4 382 B10R1.3 COC1CCC(CBr)CC1 4985AJ [0,2,0,0,0,0|0,0,2]=4 383 B10R1.3 NC[C@H]1CC[C@@H](CN)CC1 3922AJ [0,2,0,0,0,0|1,0,1]=4 384 B10R1.3 NC[C@H]1CC[C@H](CN)CC1 4673AJ [0,2,0,0,0,0|1,0,1]=4 385 B10R1.13 C=C1CCC(C(=O)O)CC1 3628AF [0,2,0,0,0,0|1,0,1]=4 386 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.13 CC(=O)C1CCN(C)CC1 0602AB [0,2,0,0,0,0|1,0,1]=4 388 B10R1.13 CC(=O)N1CCN(C)CC1 5045AJ [0,2,0,0,0,0|2,0,0]=4 389 B10R1.13 CC(C)C1CCC(N)CC1 7402AB [0,2,0,0,0,0|1,0,1]=4 390 B10R1.13 CC(O)C1CCN(C)CC1 9372AH [0,2,0,0,0,0|2,0,0]=4 391 B10R1.13 CC1CC=C(B(O)O)CC1 X2388 [0,2,0,0,0,0|0,0,2]=4 392 B10R1.13 CC1CCN(C(=N)N)CC1 0154AD [0,2,0,0,0,0|2,0,0]=4 393 B10R1.13 CN(C)C1CCC(=O)CC1 5509AB [0,2,0,0,0,0|0,0,0]=2 394 B10R1.13 CN(C)C1CCC(N)CC1 Z3819 [0,2,0,0,0,0|1,0,1]=4 395 B10R1.13 CN(C)C1CCC(O)CC1 W7344 [0,2,0,0,0,0|0,0,2]=4 396 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 Z3309 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 Z3452 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.26 CC1(C)CCC(C=O)CC1 2559AJ [0,2,0,0,0,0|0,0,1]=3 399 B10R1.26 CC1(C)CCC(CO)CC1 8717AH [0,2,0,0,0,0|0,0,2]=4 400 B10R1.26 CNC1CCS(=O)(=O)CC1 0975AF [0,2,0,0,0,0|1,0,0]=3 401 B10R1.26 NCC1CCC(F)(F)CC1 2580AC [0,2,0,0,0,0|1,0,1]=4 402 B10R1.26 NCC1CCC(F)(F)CC1 X3815 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.26 NCC1CCS(=O)(=O)CC1 4120AE [0,2,0,0,0,0|1,0,0]=3 404 B10R1.26 NCC1CCS(=O)(=O)CC1 9249AH [0,2,0,0,0,0|1,0,0]=3 405 B10R1.26 O=CC1CCC(F)(F)CC1 2377AB [0,2,0,0,0,0|1,0,1]=4 406 B10R1.473 CN1CCC(C)(C=O)CC1 4632AH [0,2,0,0,0,0|1,0,1]=4 407 B10R1.473 CN1CCC(F)(CO)CC1 6159AJ [0,2,0,0,0,0|2,0,0]=4 408 B10R1.473 CN1CCC(O)(CN)CC1 2292AB [0,2,0,0,0,0|2,0,0]=4 409 B8R1.22 ClC1CCCCCC1 1856AB [0,0,1,1,0,0|1,0,1]=4 410 B8R1.22 NN1CCCCCC1 4752AL [0,0,1,1,0,0|2,0,0]=4 411 B8R1.22 O=C1CCCCNC1 0003AC [0,0,1,1,0,0|1,0,0]=3 412 B8R1.22 O=C1CCCNCC1 X2001 [0,0,1,1,0,0|1,0,0]=3 413 B8R1.22 O=C1CCNCCN1 W5590 [0,0,1,1,0,0|2,0,0]=4 414 B8R1.22 O=C1CCOCCO1 4654AL [0,0,1,1,0,0|2,0,0]=4 415 B8R1.22 O=C1CCSCCN1 9235AD [0,0,1,1,0,0|2,0,0]=4 416 B8R1.22 O=C1CNCCCN1 5019AJ [0,0,1,1,0,0|2,0,0]=4 417 B8R1.38 COC(=O)C1CCN1 3825AJ [0,0,1,1,0,0|2,0,0]=4 418 B8R1.38 COC(=O)C1CCN1 6194AA [0,0,1,1,0,0|2,0,0]=4 419 B8R1.52 CC[N+]1(C)CCCC1 4840AL [0,0,1,1,0,0|2,0,0]=4 420 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,0,1,1,0,0|2,0,0]=4 421 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,0,1,1,0,0|2,0,0]=4 422 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,0,1,1,0,0|2,0,0]=4 423 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,0,1,1,0,0|2,0,0]=4 424 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,0,1,1,0,0|2,0,0]=4 425 B8R1.23 O=C(O)C1CC(Cl)C1 4357AB [0,0,1,1,0,0|2,0,0]=4 426 B8R1.23 O=C(O)C1CC(F)C1 2538AD [0,0,1,1,0,0|2,0,0]=4 427 B8R1.35 O=C(O)CNC1CC1 0701AA [0,0,1,1,0,0|2,0,0]=4 428 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,1,1,0,0|1,0,0]=3 429 B8R2.18 OC1CC2CC2C1 4817AC [1,0,0,1,0,0|0,0,2]=4 430 B8R2.25 C1=CC2OC2CC1 0136AQ [1,0,0,1,0,0|1,0,1]=4 431 B8R2.34 C12CCC(CC1)C2 8648AL [1,0,0,1,0,0|0,0,1]=3 432 B8R2.34 C12CCC(CC1)O2 6894AL [1,0,0,1,0,0|0,0,2]=4 433 B8R2.34 C1CC2CC1CN2 Z4541 [1,0,0,1,0,0|1,0,1]=4 434 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,1,0,1|1,0,0]=3 435 B10R2.409 C1CN2CCC(CC2)N1 Z4544 [0,0,0,1,0,1|2,0,0]=4 436 B10R2.62 C12CCC(CC1)C(=O)C2 3163AL [0,1,0,1,0,0|0,0,1]=3 437 B10R2.62 C12CCN(CC1)C[C@@H]2N 6605AA [0,1,0,1,0,0|2,0,0]=4 438 B10R2.62 C12CCN(CC1)C[C@H]2N 6604AA [0,1,0,1,0,0|2,0,0]=4 439 B10R2.62 O=C1NC2CCC1CC2 3767AB [0,1,0,1,0,0|1,0,1]=4 440 B10R2.335 O=C1CCC2(CC1)CC2 7936AA [0,1,0,1,0,0|0,0,0]=2 441 B6R0.2 CC(C)CC(C)C 7809AF [0,0,1,0,1,0|1,0,1]=4 442 B6R0.2 CC(C)CC(C)N I823 [0,0,1,0,1,0|1,0,1]=4 443 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,1,0,1,0|2,0,0]=4 444 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,1,0,1,0|2,0,0]=4 445 B6R1.2 BrC1=CCCC1 Z8081 [1,0,0,0,1,0|1,0,1]=4 446 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,0,1,0|0,0,2]=4 447 B6R1.2 CC1CCCN1 0591AQ [1,0,0,0,1,0|1,0,0]=3 448 B6R1.2 CC1CCCS1 7972AJ [1,0,0,0,1,0|1,0,0]=3 449 B6R1.2 CC1CCNC1 X9461 [1,0,0,0,1,0|1,0,0]=3 450 B6R1.2 CC1CCOC1 6124AL [1,0,0,0,1,0|1,0,0]=3 451 B6R1.2 CC1COCO1 6593AL [1,0,0,0,1,0|2,0,0]=4 452 B6R1.2 CC1OCCO1 7260AF [1,0,0,0,1,0|2,0,0]=4 453 B6R1.2 C[C@@H]1CCNC1 1585AB [1,0,0,0,1,0|1,0,0]=3 454 B6R1.2 C[C@H]1CCNC1 W4034 [1,0,0,0,1,0|1,0,0]=3 455 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,0,1,0|1,0,1]=4 456 B6R1.2 FC1CCCC1 7941AL [1,0,0,0,1,0|1,0,0]=3 457 B6R1.2 FC1CCNC1 X9172 [1,0,0,0,1,0|2,0,0]=4 458 B6R1.2 F[C@H]1CCNC1 9169AH [1,0,0,0,1,0|2,0,0]=4 459 B6R1.2 NC1=NCCC1 3788AC [1,0,0,0,1,0|2,0,0]=4 460 B6R1.2 NC1CC=CC1 W9476 [1,0,0,0,1,0|1,0,1]=4 461 B6R1.2 NC1CCOC1 W9158 [1,0,0,0,1,0|2,0,0]=4 462 B6R1.2 NN1CCCC1 8436AA [1,0,0,0,1,0|2,0,0]=4 463 B6R1.2 N[C@H]1CCNC1 N118 [1,0,0,0,1,0|2,0,0]=4 464 B6R1.2 O[C@@H]1CCSC1 1245AL [1,0,0,0,1,0|2,0,0]=4 465 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,0,1,0|2,0,0]=4 466 B6R1.2 S=C1CCCN1 7821AD [1,0,0,0,1,0|1,1,0]=4 467 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,0,2,0|1,0,0]=3 468 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,1,0,0,1|0,0,0]=2 469 B8R0.28 CC(C)CSCC(C)C 8004AF [0,0,1,0,0,1|1,0,1]=4 470 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,0,1,0,0,1|1,0,0]=3