0 B8R1.3 CC1CCC(=O)NC1 3753AB [0,0,0,0,0,0|1,0,0]=1 1 B8R1.3 CC1CCC(C)CC1 7953AF [0,0,0,0,0,0|1,0,1]=2 2 B8R1.3 CC1CCC(N)CC1 0306AA [0,0,0,0,0,0|1,0,1]=2 3 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 CN1CCC(Br)CC1 7812AB [0,0,0,0,0,0|2,0,1]=3 5 B8R1.3 CN1CN=C(S)NC1 V7230 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,0,0,0,0,0|1,0,1]=2 7 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,0,0,0,0,0|1,0,1]=2 8 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,0,0,0,0,0|1,0,1]=2 9 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,0,0,0,0|2,0,0]=2 10 B8R1.3 NC1CCC(Br)CC1 6965AC [0,0,0,0,0,0|2,0,1]=3 11 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,0,0,0,0,0|2,0,0]=2 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=C1CC[C@@H](O)CN1 X8626 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 BrC1=CCCCC1 Z0360 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.3 BrC1=CCOCC1 V4625 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.3 BrC1=CCSCC1 Z8895 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.3 C=C1CCOCC1 4680AB [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 CC1=CCC=CC1 7751AF [1,0,0,0,0,0|0,0,3]=4 21 B7R1.3 CC1C=CCCC1 6090AL [1,0,0,0,0,0|0,0,3]=4 22 B7R1.3 CC1CCCCN1 7117AB [1,0,0,0,0,0|1,0,1]=3 23 B7R1.3 CC1CCOCO1 8171AJ [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 CC1CNCCO1 8808AB [1,0,0,0,0,0|2,0,1]=4 25 B7R1.3 C[C@@H]1CCCNC1 Z4441 [1,0,0,0,0,0|1,0,1]=3 26 B7R1.3 FC1CCCCC1 1850AE [1,0,0,0,0,0|1,0,1]=3 27 B7R1.3 FC1CCCNC1 0816AQ [1,0,0,0,0,0|2,0,1]=4 28 B7R1.3 IC1CCNCC1 Z9919 [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 0386AC [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 N[C@@H]1CCCNC1 X9699 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 N[C@H]1CCCNC1 Y4134 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 O=C1C=CCCN1 9030AB [1,0,0,0,0,0|1,0,2]=4 34 B7R1.3 O=C1C=CCOC1 6867AC [1,0,0,0,0,0|1,0,2]=4 35 B7R1.3 O=S1CCNCC1 V7654 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 ON1CCCCC1 W6467 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.3 S=C1NCCCS1 5563AE [1,0,0,0,0,0|2,1,0]=4 38 B9R1.1 C=C1CCC(CO)CC1 7160AC [0,1,0,0,0,0|1,0,0]=2 39 B9R1.1 CC1CCC(=CBr)CC1 V7740 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.1 CC1CCC(=NO)CC1 4311AE [0,1,0,0,0,0|0,0,1]=2 41 B9R1.1 CC1CCC(CBr)CC1 4986AJ [0,1,0,0,0,0|1,0,1]=3 42 B9R1.1 CCC1CCC(C)CC1 4854AL [0,1,0,0,0,0|1,0,1]=3 43 B9R1.1 CCC1CCC(O)CC1 6248AB [0,1,0,0,0,0|0,0,2]=3 44 B9R1.1 CN1CCC(=NO)CC1 Y7601 [0,1,0,0,0,0|1,0,1]=3 45 B9R1.1 CN1CCC(C=O)CC1 W6593 [0,1,0,0,0,0|1,0,1]=3 46 B9R1.1 CN1CCC(CBr)CC1 7208AC [0,1,0,0,0,0|2,0,0]=3 47 B9R1.1 CN1CCC(CN)CC1 Y7197 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 CN1CCC(NN)CC1 7131AB [0,1,0,0,0,0|2,0,1]=4 49 B9R1.1 CNC1CCC(=O)CC1 Y5985 [0,1,0,0,0,0|0,0,0]=1 50 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 W4603 [0,1,0,0,0,0|0,0,2]=3 51 B9R1.1 COC1CCC(C)CC1 4894AL [0,1,0,0,0,0|0,0,2]=3 52 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 3943AJ [0,1,0,0,0,0|1,0,1]=3 53 B9R1.1 CO[C@H]1CC[C@H](O)CC1 1248AB [0,1,0,0,0,0|0,0,2]=3 54 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 1213AF [0,1,0,0,0,0|1,0,2]=4 55 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,1,0,0,0,0|1,0,0]=2 56 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,1,0,0,0,0|0,0,1]=2 57 B9R1.1 OCC1CCC(O)CC1 4006AB [0,1,0,0,0,0|0,0,2]=3 58 B9R1.10 CC1(C)CC=C(Br)CC1 Y3535 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.10 CC1(O)CCC(N)CC1 2613AJ [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 CN1CCC(F)(F)CC1 0379AQ [0,1,0,0,0,0|2,0,1]=4 62 B9R1.10 NC1CCS(=O)(=O)CC1 0746AB [0,1,0,0,0,0|2,0,0]=3 63 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,0,0,0|1,0,0]=2 64 B9R1.69 CC1CCC(=O)NC1=O 3017AB [0,1,0,0,0,0|1,0,1]=3 65 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,0,0,0|1,0,2]=4 66 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,1,0,0,0,0|1,0,1]=3 67 B9R1.69 CC1CN(C)CCC1N 9622AH [0,1,0,0,0,0|2,0,1]=4 68 B9R1.69 CC1CNC(=O)N(C)C1 3005AD [0,1,0,0,0,0|2,0,0]=3 69 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,1,0,0,0,0|2,0,0]=3 70 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 1466AA [0,1,0,0,0,0|2,0,0]=3 71 B9R1.69 N[C@H]1CCC(=O)NC1=O 9164AH [0,1,0,0,0,0|2,0,1]=4 72 B7R0.3 C=C(CC)CCCC 5608AL [0,0,1,0,0,0|1,0,0]=2 73 B7R0.3 C=CC(=O)NCCC 3769AL [0,0,1,0,0,0|1,0,2]=4 74 B7R0.3 C=CCCC(=O)OC 0026AQ [0,0,1,0,0,0|1,0,2]=4 75 B7R0.3 CCC(=O)NCCN 3366AF [0,0,1,0,0,0|2,0,0]=3 76 B7R0.3 CCC(=O)NCCO 8325AL [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 CCCC[C@H](N)CO 7337AH [0,0,1,0,0,0|2,0,1]=4 81 B7R0.3 CCC\C=C(/C)CC 6104AL [0,0,1,0,0,0|1,0,1]=3 82 B7R0.3 CCN(C)CCC#N 5584AE [0,0,1,0,0,0|2,0,1]=4 83 B7R0.3 CCN(C)CCCO 4272AE [0,0,1,0,0,0|1,0,2]=4 84 B7R0.3 CCNCC(=O)OC 2143AA [0,0,1,0,0,0|2,0,0]=3 85 B7R0.3 CCNCC(=O)OC 2988AC [0,0,1,0,0,0|2,0,0]=3 86 B7R0.3 CCOCC(=O)NN 2388AE [0,0,1,0,0,0|3,0,0]=4 87 B7R0.3 CCOCC(N)CC 8270AE [0,0,1,0,0,0|2,0,1]=4 88 B7R0.3 CC[C@H](C)CCCO 4203AL [0,0,1,0,0,0|0,0,2]=3 89 B7R0.3 CNC(=O)CCCN 5583AD [0,0,1,0,0,0|2,0,0]=3 90 B7R0.3 CNCCC(=O)NC 4515AE [0,0,1,0,0,0|2,0,0]=3 91 B7R0.3 CNCCC(=O)NC 5845AE [0,0,1,0,0,0|2,0,0]=3 92 B7R0.3 CNCCC(=O)OC 1857AB [0,0,1,0,0,0|2,0,0]=3 93 B7R0.3 CNCCC(=O)OC X3419 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.3 COC(=N)CCCCl 2164AC [0,0,1,0,0,0|3,0,0]=4 95 B7R0.3 COC(=O)CCC=O W3030 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.3 COC(=O)CCCS X9990 [0,0,1,0,0,0|2,0,0]=3 97 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,0,1,0,0,0|1,0,2]=4 98 B7R0.3 NCC(=O)NCCO 0947AF [0,0,1,0,0,0|3,0,0]=4 99 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,1,0,0,0|1,0,2]=4 100 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,1,0,0,0|1,0,0]=2 101 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,1,0,0,0|1,0,0]=2 102 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,1,0,0,0|2,0,1]=4 103 B7R0.6 CC(=O)NNC(C)C 6165AB [0,0,1,0,0,0|2,0,0]=3 104 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,0,1,0,0,0|0,0,2]=3 105 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,1,0,0,0|1,0,1]=3 106 B7R0.6 CC(C)CNC(C)C 2335AE [0,0,1,0,0,0|2,0,1]=4 107 B7R0.6 CN(C)CCN(C)C 3249AL [0,0,1,0,0,0|3,0,0]=4 108 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,0,1,0,0,0|1,0,2]=4 109 B9R2.49 C1CC2CCC1CN2 2711AB [0,0,0,1,0,0|1,0,1]=3 110 B9R2.49 C1CC2CCC1CN2 6065AE [0,0,0,1,0,0|1,0,1]=3 111 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,0,1,0|2,0,1]=4 112 B7R1.2 CC1CCC(C)O1 Z5431 [0,0,0,0,1,0|2,0,1]=4 113 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,0,1,0|1,0,0]=2 114 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,0,1,0|2,0,0]=3 115 B7R1.2 CC1CNC(=S)N1 7200AD [0,0,0,0,1,0|2,1,0]=4 116 B7R1.2 CN1CCC(Br)C1 1332AA [0,0,0,0,1,0|2,0,1]=4 117 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,0,0,0,1,0|2,0,1]=4 118 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,0,0,0,1,0|1,0,2]=4 119 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,0,1,0|1,0,2]=4 120 B7R1.2 NC1CCC(O)C1 6561AA [0,0,0,0,1,0|1,0,2]=4 121 B7R1.2 NC1CNC(=O)C1 9509AL [0,0,0,0,1,0|2,0,0]=3 122 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,0,0,0,1,0|1,0,2]=4 123 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,0,1,0|1,0,2]=4 124 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,0,1,0|1,0,0]=2 125 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,0,1,0|2,0,0]=3 126 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,0,1,0|2,0,1]=4 127 B7R1.2 O=C1CNC(S)S1 5679AL [0,0,0,0,1,0|3,0,0]=4 128 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,0,0,0,1|1,0,0]=2 129 B9R1.49 CN1CCCC(N)CC1 3590AF [0,0,0,0,0,1|2,0,1]=4 130 B6R0.1 CCC(=O)CSC K829 [1,0,1,0,0,0|1,0,0]=3 131 B6R0.1 CCCC(=O)SC 8847AJ [1,0,1,0,0,0|1,0,0]=3 132 B6R0.1 CCCC(Br)CC 3975AB [1,0,1,0,0,0|1,0,1]=4 133 B6R0.1 CCCC(C)CC 7810AF [1,0,1,0,0,0|0,0,1]=3 134 B6R0.1 CCCC(C)CO 1207AA [1,0,1,0,0,0|1,0,1]=4 135 B6R0.1 CCCC(O)CC 7557AF [1,0,1,0,0,0|0,0,2]=4 136 B6R0.1 CCNC(=O)CBr 5060AE [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 CCNC(=O)CN 8793AD [1,0,1,0,0,0|2,0,0]=4 138 B6R0.1 CCNC(C)CC 7145AD [1,0,1,0,0,0|1,0,1]=4 139 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 CCOC(C)CC 8956AL [1,0,1,0,0,0|1,0,1]=4 141 B6R0.1 CCSC(=O)CC 8960AL [1,0,1,0,0,0|1,0,0]=3 142 B6R0.1 CC[C@H](C)CCO 4202AL [1,0,1,0,0,0|0,0,1]=3 143 B6R0.1 CNC(=O)CCCl 2983AE [1,0,1,0,0,0|2,0,0]=4 144 B6R0.1 CNC(=O)CCO 8079AE [1,0,1,0,0,0|2,0,0]=4 145 B6R0.1 CNC(C)CCO 8891AD [1,0,1,0,0,0|1,0,1]=4 146 B6R0.1 CNCC(=O)NC V5990 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.1 COC(=O)CCN 5700AB [1,0,1,0,0,0|2,0,0]=4 148 B6R0.4 C=C(C)CCCC 5699AL [1,0,1,0,0,0|1,0,0]=3 149 B6R0.4 C=CCCC(C)C 6791AL [1,0,1,0,0,0|0,0,1]=3 150 B6R0.4 CC(=O)CCCBr W5938 [1,0,1,0,0,0|1,0,0]=3 151 B6R0.4 CC(=O)NCCCl W8163 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.4 CC(=O)OCCCl 7237AF [1,0,1,0,0,0|2,0,0]=4 153 B6R0.4 CC(=O)SCCN 5884AD [1,0,1,0,0,0|2,0,0]=4 154 B6R0.4 CC(C)CCCCl 6814AE [1,0,1,0,0,0|1,0,1]=4 155 B6R0.4 CCCC=C(C)C 5704AL [1,0,1,0,0,0|1,0,1]=4 156 B6R0.4 CCCCC(=O)Br 7391AF [1,0,1,0,0,0|1,0,0]=3 157 B6R0.4 CCCCC(C)Br 5535AL [1,0,1,0,0,0|1,0,1]=4 158 B6R0.4 CCCCC(C)C 5734AL [1,0,1,0,0,0|0,0,1]=3 159 B6R0.4 CCCCC(C)Cl 5578AL [1,0,1,0,0,0|1,0,1]=4 160 B6R0.4 CCCCC(C)N 7573AF [1,0,1,0,0,0|1,0,1]=4 161 B6R0.4 CCCCC(C)O 9467AB [1,0,1,0,0,0|0,0,2]=4 162 B6R0.4 CSCCC(=O)Cl 6126AL [1,0,1,0,0,0|2,0,0]=4 163 B6R0.4 C\C=C\CC(C)C 6798AL [1,0,1,0,0,0|0,0,1]=3 164 B6R0.6 C=CCCCCI 0232AQ [1,0,1,0,0,0|2,0,0]=4 165 B6R0.6 C=CCSCCC R577 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.6 CC#CCCCC 5638AL [1,0,1,0,0,0|0,0,2]=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 CCCOCCC 7558AF [1,0,1,0,0,0|1,0,1]=4 170 B6R0.6 CCCSCCC 7569AF [1,0,1,0,0,0|1,0,1]=4 171 B6R0.6 CCC\C=C/CO 7423AL [1,0,1,0,0,0|1,0,1]=4 172 B6R0.6 CCOCCNC 5385AD [1,0,1,0,0,0|2,0,0]=4 173 B6R0.6 CC\C=C\CCC 9219AL [1,0,1,0,0,0|0,0,1]=3 174 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|0,0,1]=3 175 B6R0.6 C\C=C/CCCCl 7455AL [1,0,1,0,0,0|1,0,1]=4 176 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|0,0,1]=3 177 B6R0.6 C\C=C\SCCC U946 [1,0,1,0,0,0|1,0,1]=4 178 B6R1.1 C1=NCCCN1 0674AQ [2,0,0,0,0,0|2,0,0]=4 179 B6R1.1 C1CCONC1 9605AH [2,0,0,0,0,0|2,0,0]=4 180 B6R1.1 C1COCCO1 7285AL [2,0,0,0,0,0|2,0,0]=4 181 B6R1.1 C1CSCCN1 8883AB [2,0,0,0,0,0|2,0,0]=4 182 B8R0.1 CCCC(C)COC=O 5740AL [0,1,1,0,0,0|1,0,0]=3 183 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,1,0,0,0|0,0,0]=2 184 B8R0.1 CCCCC(Br)CCC 7975AF [0,1,1,0,0,0|1,0,1]=4 185 B8R0.1 CCCCN(C)CCN 4806AD [0,1,1,0,0,0|2,0,0]=4 186 B8R0.1 CCCNC(=O)CCN 2039AD [0,1,1,0,0,0|1,0,0]=3 187 B8R0.1 CCCNC(=O)CNC 2661AF [0,1,1,0,0,0|1,0,0]=3 188 B8R0.1 CCCNC(=O)CNC 8106AC [0,1,1,0,0,0|1,0,0]=3 189 B8R0.1 CCOC(=O)CCOC 6085AL [0,1,1,0,0,0|1,0,0]=3 190 B8R0.1 CNCC(=O)NCCO 2049AD [0,1,1,0,0,0|2,0,0]=4 191 B8R0.1 COCCC(=O)CC#N 3252AJ [0,1,1,0,0,0|1,0,1]=4 192 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,1,1,0,0,0|0,0,1]=3 193 B8R0.1 NCCC(=O)NCCO 2327AD [0,1,1,0,0,0|2,0,0]=4 194 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,1,0,0,0|1,0,0]=3 195 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.3 COCC(Br)C(=O)OC V4873 [0,1,1,0,0,0|2,0,0]=4 197 B8R0.6 C=CC(=O)NCCCC 2114AB [0,1,1,0,0,0|0,0,2]=4 198 B8R0.6 C=CCCCC(=O)OC 6778AL [0,1,1,0,0,0|1,0,1]=4 199 B8R0.6 CCC(C)NCCC#N 7315AD [0,1,1,0,0,0|1,0,1]=4 200 B8R0.6 CCC(C)NCCCN 0775AF [0,1,1,0,0,0|1,0,1]=4 201 B8R0.6 CCCCNC(=O)CCl W6790 [0,1,1,0,0,0|1,0,0]=3 202 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,1,0,0,0|1,0,0]=3 203 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,1,0,0,0|1,0,0]=3 204 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,1,0,0,0|1,0,0]=3 205 B8R0.6 CCNCCC(=O)OC 6995AJ [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 COCCNC(=O)CCl 0644AA [0,1,1,0,0,0|2,0,0]=4 209 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 CC(O)C(=O)NCCO 8324AL [0,1,1,0,0,0|2,0,0]=4 213 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,1,1,0,0,0|0,0,1]=3 214 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,1,0,0,0|0,0,0]=2 215 B8R0.8 CCCCC(C)C(C)C 5236AL [0,1,1,0,0,0|1,0,1]=4 216 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,1,0,0,0|1,0,0]=3 217 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,1,1,0,0,0|2,0,0]=4 218 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,1,1,0,0,0|2,0,0]=4 219 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,1,1,0,0,0|2,0,0]=4 220 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,1,0,0,0|0,0,1]=3 221 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,1,0,0,0|0,0,0]=2 222 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,1,0,0,0|1,0,1]=4 223 B8R0.9 CCC(C)CCC(C)C 5380AL [0,1,1,0,0,0|1,0,1]=4 224 B8R0.9 CCC(C)CCC(C)O 6794AL [0,1,1,0,0,0|0,0,2]=4 225 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,1,1,0,0,0|1,0,0]=3 226 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,1,1,0,0,0|2,0,0]=4 227 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,1,1,0,0,0|2,0,0]=4 228 B8R0.25 CCCCC(C)(C)CC 5875AL [0,1,1,0,0,0|1,0,1]=4 229 B8R0.25 CCCCC(C)(O)CC 6103AL [0,1,1,0,0,0|0,0,2]=4 230 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,1,0,0,0|0,0,1]=3 231 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,1,0,0,0|0,0,0]=2 232 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,1,1,0,0,0|1,0,1]=4 233 B8R0.23 CC(C)[C@@H](N)CC(=O)O 0469AP [0,1,1,0,0,0|1,0,0]=3 234 B8R0.23 CC(C)[C@@H](N)CC(=O)O Z5862 [0,1,1,0,0,0|1,0,0]=3 235 B8R0.23 CC(C)[C@H](N)CC(=O)O Z5766 [0,1,1,0,0,0|1,0,0]=3 236 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)(C)CCC(=O)O 8824AC [0,1,1,0,0,0|1,0,0]=3 238 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,1,1,0,0,0|1,0,0]=3 239 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,1,1,0,0,0|2,0,0]=4 240 B8R0.29 CC(C)CCC(C)(C)C 8138AF [0,1,1,0,0,0|1,0,1]=4 241 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,1,1,0,0,0|2,0,0]=4 242 B8R1.2 BrC=C1CCCCC1 0651AQ [1,1,0,0,0,0|1,0,0]=3 243 B8R1.2 BrCC1CCCCN1 4115AB [1,1,0,0,0,0|1,0,1]=4 244 B8R1.2 BrCC1CCNCC1 X0255 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.2 C#CC1CCOCC1 0859AD [1,1,0,0,0,0|1,0,1]=4 246 B8R1.2 C=CC1CCCCC1 Z3463 [1,1,0,0,0,0|0,0,2]=4 247 B8R1.2 CNC1CCCNC1 7535AA [1,1,0,0,0,0|1,0,1]=4 248 B8R1.2 CNC1CCCOC1 4420AJ [1,1,0,0,0,0|1,0,1]=4 249 B8R1.2 CNC1CCNCC1 V0325 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.2 COC1CCCCC1 7515AL [1,1,0,0,0,0|0,0,1]=3 251 B8R1.2 CSC1CCNCC1 W4370 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.2 FCC1CCCCN1 1886AF [1,1,0,0,0,0|1,0,1]=4 253 B8R1.2 FCC1CCNCC1 9762AE [1,1,0,0,0,0|1,0,0]=3 254 B8R1.2 ICC1CCNCC1 6189AJ [1,1,0,0,0,0|1,0,0]=3 255 B8R1.2 N#CC1=CCCCC1 0160AQ [1,1,0,0,0,0|1,0,1]=4 256 B8R1.2 N#CC1CC=CCC1 6461AL [1,1,0,0,0,0|0,0,2]=4 257 B8R1.2 N#CC1CCNCC1 W4760 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.2 N#CC1CCSCC1 0101AB [1,1,0,0,0,0|1,0,1]=4 259 B8R1.2 N#CN1CCCCC1 1396AQ [1,1,0,0,0,0|2,0,0]=4 260 B8R1.2 NCC1=CCCCC1 3737AB [1,1,0,0,0,0|1,0,1]=4 261 B8R1.2 NCC1CCCCN1 8197AB [1,1,0,0,0,0|1,0,1]=4 262 B8R1.2 NCC1CCCCO1 Y9814 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.2 NCC1CCCNC1 1145AC [1,1,0,0,0,0|1,0,1]=4 264 B8R1.2 NCC1CCCOC1 W8070 [1,1,0,0,0,0|1,0,1]=4 265 B8R1.2 NNC1CCNCC1 2019AE [1,1,0,0,0,0|2,0,0]=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=CC1CCNCC1 Y9263 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.2 O=CC1CCSCC1 Y9262 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.2 O=NN1CCOCC1 8616AL [1,1,0,0,0,0|2,0,0]=4 272 B8R1.2 OCC1CCCNC1 W3153 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.2 OCC1CCOCO1 6434AB [1,1,0,0,0,0|2,0,0]=4 274 B8R1.2 OC[C@@H]1CCCNC1 W5857 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.2 OC[C@H]1CCCNC1 2192AA [1,1,0,0,0,0|1,0,1]=4 276 B8R1.4 CC1CC(=O)CCN1 1072AC [1,1,0,0,0,0|1,0,0]=3 277 B8R1.4 CC1CC(O)CCN1 1810AJ [1,1,0,0,0,0|1,0,1]=4 278 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,1,0,0,0,0|1,0,0]=3 279 B8R1.4 CC1CCCC(N)C1 V8849 [1,1,0,0,0,0|0,0,1]=3 280 B8R1.4 CC1CCCC(N)C1 W7860 [1,1,0,0,0,0|0,0,1]=3 281 B8R1.4 CC1CCOC(C)O1 5310AL [1,1,0,0,0,0|2,0,0]=4 282 B8R1.4 CC1CN(C)CCN1 Z2448 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.4 CC1COCC(=O)N1 V7159 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.4 CN1CCC=C(Br)C1 1699AE [1,1,0,0,0,0|1,0,1]=4 285 B8R1.4 CN1CCC=C(Br)C1 2180AJ [1,1,0,0,0,0|1,0,1]=4 286 B8R1.4 CN1CCCC(=O)C1 9933AH [1,1,0,0,0,0|1,0,0]=3 287 B8R1.4 CN1CCCC(=O)C1 9934AH [1,1,0,0,0,0|1,0,0]=3 288 B8R1.4 CN1CCC[C@H](N)C1 9156AH [1,1,0,0,0,0|1,0,1]=4 289 B8R1.4 CN1CCC[C@H](N)C1 9157AH [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]1CNCC(=O)N1 9027AH [1,1,0,0,0,0|2,0,0]=4 293 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [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 C[C@H]1CN(C)CCN1 2498AA [1,1,0,0,0,0|2,0,0]=4 296 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [1,1,0,0,0,0|2,0,0]=4 297 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.4 NC1CCNC(=O)C1 X9664 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.4 N[C@H]1CCC[C@@H](N)C1 6766AB [1,1,0,0,0,0|1,0,1]=4 300 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [1,1,0,0,0,0|1,0,1]=4 301 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [1,1,0,0,0,0|1,0,1]=4 302 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [1,1,0,0,0,0|0,0,2]=4 303 B8R1.5 CC1CCCCC1C 4454AL [1,1,0,0,0,0|0,0,1]=3 304 B8R1.5 CC1CCNCC1O 2895AJ [1,1,0,0,0,0|1,0,0]=3 305 B8R1.5 CC1CNCCC1O 3011AA [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 CC1NCCNC1=O 1693AB [1,1,0,0,0,0|2,0,0]=4 308 B8R1.5 CC1OCCNC1=O 5590AJ [1,1,0,0,0,0|2,0,0]=4 309 B8R1.5 CN1CCNCC1=O 7723AJ [1,1,0,0,0,0|2,0,0]=4 310 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [1,1,0,0,0,0|0,0,1]=3 311 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [1,1,0,0,0,0|1,0,0]=3 312 B8R1.5 C[C@@H]1CNCCN1C 8539AH [1,1,0,0,0,0|2,0,0]=4 313 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,1,0,0,0,0|0,0,1]=3 314 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,1,0,0,0,0|0,0,1]=3 315 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [1,1,0,0,0,0|0,0,1]=3 316 B8R1.5 FC1CCCCC1Br 7512AE [1,1,0,0,0,0|1,0,1]=4 317 B8R1.5 NC1CCNCC1O 0385AQ [1,1,0,0,0,0|2,0,0]=4 318 B8R1.5 NC1COCCC1O Y6179 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.5 NN1CCCCC1=O Z4590 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.5 N[C@@H]1CC=CC[C@H]1N 0209AQ [1,1,0,0,0,0|1,0,1]=4 321 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [1,1,0,0,0,0|1,0,0]=3 322 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [1,1,0,0,0,0|1,0,1]=4 323 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [1,1,0,0,0,0|1,0,0]=3 324 B8R1.5 O=C1CCCC=C1Br V6293 [1,1,0,0,0,0|0,0,2]=4 325 B8R1.5 O=C1CCCC=C1I 2099AL [1,1,0,0,0,0|0,0,2]=4 326 B8R1.5 O=C1CCCCC1Br X5630 [1,1,0,0,0,0|0,0,0]=2 327 B8R1.5 O=C1CCCCC1Cl 7902AJ [1,1,0,0,0,0|0,0,0]=2 328 B8R1.5 O=C1CCOCC1F W7452 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.5 O=C1NCCCC1Br 4146AB [1,1,0,0,0,0|1,0,0]=3 330 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [1,1,0,0,0,0|0,0,2]=4 331 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [1,1,0,0,0,0|2,0,0]=4 332 B8R1.72 CC1(C)CCNCC1 5453AB [1,1,0,0,0,0|1,0,0]=3 333 B8R1.72 CC1(N)CCCCC1 X6756 [1,1,0,0,0,0|0,0,1]=3 334 B8R1.72 CC1(N)CCNCC1 6612AB [1,1,0,0,0,0|1,0,0]=3 335 B8R1.72 N=S1(=O)CCOCC1 X2152 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,1,0,0,1,0|1,0,1]=4 337 B8R1.1 CCC1COC(=O)N1 5157AD [0,1,0,0,1,0|2,0,0]=4 338 B8R1.1 CN1CCC(CN)C1 5417AA [0,1,0,0,1,0|2,0,0]=4 339 B8R1.1 CN1CC[C@H](CO)C1 9151AH [0,1,0,0,1,0|2,0,0]=4 340 B8R1.1 CN[C@H]1CCN(C)C1 Z2059 [0,1,0,0,1,0|2,0,0]=4 341 B8R1.1 NCC1CCC(=O)N1 X3339 [0,1,0,0,1,0|1,0,0]=3 342 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,0,1,0|1,0,0]=3 343 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,0,1,0|0,0,0]=2 344 B8R1.1 O=C1CCC(CO)N1 9405AB [0,1,0,0,1,0|1,0,0]=3 345 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,0,1,0|0,0,2]=4 347 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,1,0,0,1,0|1,0,1]=4 348 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [0,1,0,0,1,0|1,0,0]=3 349 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,0,1,0|0,0,2]=4 350 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,0,1,0|1,0,0]=3 351 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,0,1,0|1,0,1]=4 352 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,1,0,0,1,0|1,0,0]=3 353 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,1,0,0,1,0|0,0,0]=2 354 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,1,0,0,1,0|1,0,1]=4 355 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,1,0,0,1,0|2,0,0]=4 356 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,1,0,0,1,0|1,0,0]=3 357 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,1,0,0,1,0|2,0,0]=4 358 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,1,0,0,0,1|1,0,0]=3 359 B10R1.1 C=CCN1CCC(=O)CC1 7068AD [0,2,0,0,0,0|1,0,0]=3 360 B10R1.1 CCCC1CC=C(Br)CC1 Z6635 [0,2,0,0,0,0|1,0,1]=4 361 B10R1.1 CCCC1CCC(N)CC1 6678AL [0,2,0,0,0,0|1,0,1]=4 362 B10R1.1 CN1CCC(CC#N)CC1 5294AD [0,2,0,0,0,0|2,0,0]=4 363 B10R1.1 CN1CCC(CCN)CC1 V4272 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.1 NCCC1CCC(N)CC1 5012AL [0,2,0,0,0,0|1,0,1]=4 365 B10R1.1 NCCC1CCC(O)CC1 6179AL [0,2,0,0,0,0|0,0,2]=4 366 B10R1.1 OCCC1CCC(O)CC1 6184AL [0,2,0,0,0,0|0,0,2]=4 367 B10R1.3 CCN1CCC(C=O)CC1 9836AH [0,2,0,0,0,0|1,0,1]=4 368 B10R1.3 CCN1CCC(CN)CC1 W4414 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.3 COC1CCC(CBr)CC1 4985AJ [0,2,0,0,0,0|0,0,2]=4 370 B10R1.3 NC[C@H]1CC[C@@H](CN)CC1 3922AJ [0,2,0,0,0,0|1,0,1]=4 371 B10R1.3 NC[C@H]1CC[C@H](CN)CC1 4673AJ [0,2,0,0,0,0|1,0,1]=4 372 B10R1.3 O=CN1CCC(CO)CC1 0310AF [0,2,0,0,0,0|1,0,0]=3 373 B10R1.13 CC(=O)N1CCN(C)CC1 5045AJ [0,2,0,0,0,0|2,0,0]=4 374 B10R1.13 CC(C)C1CCC(N)CC1 7402AB [0,2,0,0,0,0|1,0,1]=4 375 B10R1.13 CC(O)C1CCN(C)CC1 9372AH [0,2,0,0,0,0|2,0,0]=4 376 B10R1.13 CC1CCN(C(=N)N)CC1 0154AD [0,2,0,0,0,0|2,0,0]=4 377 B10R1.13 CN(C)C1CCC(=O)CC1 5509AB [0,2,0,0,0,0|0,0,0]=2 378 B10R1.13 CN(C)C1CCC(N)CC1 Z3307 [0,2,0,0,0,0|1,0,1]=4 379 B10R1.13 CN(C)C1CCC(N)CC1 Z3819 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 Z3309 [0,2,0,0,0,0|1,0,1]=4 381 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 Z3452 [0,2,0,0,0,0|1,0,1]=4 382 B10R1.13 NC(=O)C1CCC(=O)CC1 0467AB [0,2,0,0,0,0|0,0,1]=3 383 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,2,0,0,0,0|1,0,1]=4 384 B10R1.25 CCC1CNC(=O)CC1=O W8151 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.26 CNC1CCS(=O)(=O)CC1 0975AF [0,2,0,0,0,0|1,0,0]=3 386 B10R1.26 NCC1CCC(F)(F)CC1 2580AC [0,2,0,0,0,0|1,0,1]=4 387 B10R1.26 NCC1CCS(=O)(=O)CC1 9249AH [0,2,0,0,0,0|1,0,0]=3 388 B10R1.473 CC1CCC(N)(C#N)CC1 V9170 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.473 CN1CCC(C)(C=O)CC1 4632AH [0,2,0,0,0,0|1,0,1]=4 390 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,1,1,0,0|1,0,1]=4 391 B8R1.22 CC1CCCNCC1 2641AE [0,0,1,1,0,0|1,0,1]=4 392 B8R1.22 ClC1CCCCCC1 1856AB [0,0,1,1,0,0|1,0,1]=4 393 B8R1.22 O=C1CCCCNC1 0003AC [0,0,1,1,0,0|1,0,0]=3 394 B8R1.22 O=C1CCNCCN1 W5590 [0,0,1,1,0,0|2,0,0]=4 395 B8R1.22 O=C1CCSCCN1 9235AD [0,0,1,1,0,0|2,0,0]=4 396 B8R1.38 CNC(=O)C1CCC1 4798AA [0,0,1,1,0,0|1,0,0]=3 397 B8R1.38 COC(=O)C1CCN1 6194AA [0,0,1,1,0,0|2,0,0]=4 398 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [0,0,1,1,0,0|2,0,0]=4 399 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,0,1,1,0,0|2,0,0]=4 400 B8R1.40 NCC(=O)NC1CC1 4993AH [0,0,1,1,0,0|2,0,0]=4 401 B8R1.52 CC[N+]1(C)CCCC1 4840AL [0,0,1,1,0,0|2,0,0]=4 402 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,1,1,0,0|1,0,0]=3 403 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,1,1,0,0|1,0,0]=3 404 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,0,1,1,0,0|2,0,0]=4 405 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,0,1,1,0,0|2,0,0]=4 406 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,0,1,1,0,0|2,0,0]=4 407 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,0,1,1,0,0|2,0,0]=4 408 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,0,1,1,0,0|2,0,0]=4 409 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,0,1,1,0,0|1,0,0]=3 410 B8R2.18 OC1CC2CC2C1 4817AC [1,0,0,1,0,0|0,0,2]=4 411 B8R2.25 C1=CC2OC2CC1 0136AQ [1,0,0,1,0,0|1,0,1]=4 412 B8R2.34 C12CCC(CC1)O2 6894AL [1,0,0,1,0,0|0,0,2]=4 413 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,1,0,1|1,0,0]=3 414 B10R2.409 C1CN2CCC(CC2)N1 7517AA [0,0,0,1,0,1|2,0,0]=4 415 B10R2.62 C12CCN(CC1)CC2=O X7169 [0,1,0,1,0,0|1,0,1]=4 416 B10R2.62 C12CCN(CC1)C[C@H]2N 6604AA [0,1,0,1,0,0|2,0,0]=4 417 B10R2.62 C12CCN(CC1)C[C@H]2O 2953AH [0,1,0,1,0,0|2,0,0]=4 418 B6R0.2 CC(C)CC(C)Br 3157AB [0,0,1,0,1,0|1,0,1]=4 419 B6R0.2 CC(C)CC(C)C 7809AF [0,0,1,0,1,0|1,0,1]=4 420 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,1,0,1,0|2,0,0]=4 421 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,1,0,1,0|2,0,0]=4 422 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,0,1,0|0,0,2]=4 423 B6R1.2 CC1CCCN1 0591AQ [1,0,0,0,1,0|1,0,0]=3 424 B6R1.2 CC1CCCS1 7972AJ [1,0,0,0,1,0|1,0,0]=3 425 B6R1.2 CC1CCNC1 X9461 [1,0,0,0,1,0|1,0,0]=3 426 B6R1.2 CC1CCOC1 6124AL [1,0,0,0,1,0|1,0,0]=3 427 B6R1.2 CC1COCO1 6593AL [1,0,0,0,1,0|2,0,0]=4 428 B6R1.2 CC1OCCO1 7260AF [1,0,0,0,1,0|2,0,0]=4 429 B6R1.2 C[C@@H]1CCCN1 V2030 [1,0,0,0,1,0|1,0,0]=3 430 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,0,1,0|1,0,1]=4 431 B6R1.2 FC1CCCC1 7941AL [1,0,0,0,1,0|1,0,0]=3 432 B6R1.2 FC1CCNC1 W3697 [1,0,0,0,1,0|2,0,0]=4 433 B6R1.2 FC1CCNC1 X9172 [1,0,0,0,1,0|2,0,0]=4 434 B6R1.2 F[C@H]1CCNC1 9169AH [1,0,0,0,1,0|2,0,0]=4 435 B6R1.2 NC1CCOC1 W9158 [1,0,0,0,1,0|2,0,0]=4 436 B6R1.2 NN1CCCC1 8436AA [1,0,0,0,1,0|2,0,0]=4 437 B6R1.2 N[C@H]1CCNC1 N118 [1,0,0,0,1,0|2,0,0]=4 438 B6R1.2 N[C@H]1CCOC1 W4304 [1,0,0,0,1,0|2,0,0]=4 439 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,0,1,0|2,0,0]=4 440 B8R0.28 CC(=O)CCCN(C)C Y9101 [0,0,1,0,0,1|1,0,0]=3 441 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,1,0,0,1|0,0,0]=2 442 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,0,1,0,0,1|1,0,0]=3 443 B8R0.28 CC(C)CSCC(C)C 8004AF [0,0,1,0,0,1|1,0,1]=4 444 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,0,1,0,0,1|1,0,0]=3