0 B6R0.1 C#CCC(=O)OC 3698AB [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CCC(O)CC 6781AL [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 CC#CC(=O)OC X7106 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCC(=O)CSC K829 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.1 CCC(O)CNN 2943AE [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCCC(=O)SC 8847AJ [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CCCC(Br)CC 3975AB [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCCC(C)CC 7810AF [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCCC(C)CO 1207AA [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCCC(O)CC 7557AF [0,0,0,0,0,0|1,0,2]=3 10 B6R0.1 CCC[C@@H](N)CO 2554AC [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCNC(=O)CBr 5060AE [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 CCNC(=O)CN 8793AD [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CCNC(C)CC 7145AD [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCOC(=N)CC 8352AC [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCOC(C)CC 8956AL [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCSC(=O)CC 8960AL [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 CC[C@H](C)CCO 4202AL [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CNC(=O)CCCl 2983AE [0,0,0,0,0,0|3,0,0]=3 19 B6R0.1 CNC(=O)CCO 8079AE [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 CNCC(=O)NC V5990 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 CNCC(C)OC 1691AF [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 COC(=O)CCN 5700AB [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 COC(=O)\C=C/Br 6846AE [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 COC(=O)\C=C/I 6847AE [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 COC(=O)\C=C\N 1217AQ [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CSC\C(N)=N\O 8012AC [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,0,0,0,0,0|4,0,0]=4 28 B5R0.1 C=C(C)CON 4430AJ [1,0,0,0,0,0|2,1,0]=4 29 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CNCC(C)C 8603AL [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 COCC(=N)N 1769AJ [1,0,0,0,0,0|2,1,0]=4 35 B5R0.1 COC[C@H](C)O W4988 [1,0,0,0,0,0|0,1,2]=4 36 B5R0.1 CSCC(=N)N 1816AJ [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 N#CCC(=O)[O-] 7007AF [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 NC(=O)CCO 8063AJ [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 CCCCOC 7303AL [1,0,0,0,0,0|0,1,1]=3 44 B5R0.2 CCCNCC 8554AL [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CCCOCC 7892AL [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 CCCOCCl 4494AB [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 CCCSCC R576 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CCC\C=N\O 7272AF [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 CCOCCN 3903AD [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 CC[Se][Se]CC 7651AL [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 CC\C=C\C#N 5776AL [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 COCCCI 9890AH [1,0,0,0,0,0|1,1,1]=4 53 B5R0.2 CSCCC#N 5452AE [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 C=C(SC)SC 4356AL [1,0,0,0,0,0|2,0,0]=3 55 B5R0.3 CCC(=O)CN X8894 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.3 CCC(=O)CO X5132 [1,0,0,0,0,0|0,1,0]=2 57 B5R0.3 CCC(=S)OC R571 [1,0,0,0,0,0|0,2,0]=3 58 B5R0.3 CCC(C)CCl U282 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CCC(Cl)CCl 4449AL [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CCC(O)CBr 4766AL [1,0,0,0,0,0|1,0,2]=4 61 B5R0.3 CCC(S)CS 4441AL [1,0,0,0,0,0|0,1,1]=3 62 B5R0.3 CC[C@H](C)CCl 4194AL [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CNC(=O)CN X2965 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 CNC(=O)NN 9285AA [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,0,0,0,0|1,0,1]=3 66 B5R0.3 C\C=C(/C)CC 9220AL [1,0,0,0,0,0|1,0,1]=3 67 B5R0.3 C\C=C(\C)CC 7440AL [1,0,0,0,0,0|1,0,1]=3 68 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,0|2,0,1]=4 69 B7R0.2 CC(O)CC(=O)NN 8247AD [0,1,0,0,0,0|3,0,0]=4 70 B7R0.2 CCC(C)CC(C)C 5322AL [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 CN(C)CC(=O)NN E002 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.2 CN(C)CC(=O)NN W6825 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,1,0,0,0,0|3,0,0]=4 76 B7R0.3 C=C(CC)CCCC 5608AL [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 C=C(CCl)OCOC 1799AL [0,1,0,0,0,0|2,1,0]=4 78 B7R0.3 C=CC(=O)NCCC 3769AL [0,1,0,0,0,0|1,0,2]=4 79 B7R0.3 C=CCCC(=O)OC 0026AQ [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 C=CCNC(=O)CN 2048AD [0,1,0,0,0,0|2,0,1]=4 81 B7R0.3 CC#CCC(O)CC 6775AL [0,1,0,0,0,0|1,0,2]=4 82 B7R0.3 CCC(=O)NCCN 3366AF [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 CCC(=O)NCCO 8325AL [0,1,0,0,0,0|2,0,0]=3 84 B7R0.3 CCC(Cl)CCCCl 4475AE [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 CCCCC(C)CC 6251AE [0,1,0,0,0,0|2,0,1]=4 86 B7R0.3 CCCCC(O)CC 8762AB [0,1,0,0,0,0|1,0,2]=4 87 B7R0.3 CCC\C=C(/C)CC 6104AL [0,1,0,0,0,0|2,0,0]=3 88 B7R0.3 CCN(C)CCCO 4272AE [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 CCNCC(=O)OC 2143AA [0,1,0,0,0,0|2,0,0]=3 90 B7R0.3 CCNCC(=O)OC 2988AC [0,1,0,0,0,0|2,0,0]=3 91 B7R0.3 CCOCC(=O)NN 2388AE [0,1,0,0,0,0|2,1,0]=4 92 B7R0.3 CCOCC(N)CC 8270AE [0,1,0,0,0,0|1,1,1]=4 93 B7R0.3 CC[C@H](C)CCCO 4203AL [0,1,0,0,0,0|2,0,1]=4 94 B7R0.3 CNC(=O)CCCN 5583AD [0,1,0,0,0,0|2,0,0]=3 95 B7R0.3 CNCCC(=O)NC 4515AE [0,1,0,0,0,0|2,0,0]=3 96 B7R0.3 CNCCC(=O)NC 5845AE [0,1,0,0,0,0|2,0,0]=3 97 B7R0.3 CNCCC(=O)OC 1857AB [0,1,0,0,0,0|2,0,0]=3 98 B7R0.3 CNCCC(=O)OC X3419 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.3 COC(=N)CCCCl 2164AC [0,1,0,0,0,0|3,0,0]=4 100 B7R0.3 COC(=O)C#CCO 3414AB [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 COC(=O)CCC=O W3030 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 COC(=O)CCCS X9990 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.3 CO\C=C\C(=O)OC W5649 [0,1,0,0,0,0|1,1,1]=4 104 B7R0.3 CSCCC(N)CO 8517AA [0,1,0,0,0,0|2,0,1]=4 105 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,1,0,0,0,0|2,0,0]=3 106 B7R0.3 NCC(=O)NCCO 0947AF [0,1,0,0,0,0|3,0,0]=4 107 B7R0.5 CCCC(=O)C(C)C 5712AL [0,1,0,0,0,0|1,0,0]=2 108 B7R0.5 CCNC(=O)C(C)Cl 7969AE [0,1,0,0,0,0|2,0,0]=3 109 B7R0.5 CCNC(=O)C(C)N 8428AC [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CCOC(=N)C(C)C 8345AC [0,1,0,0,0,0|3,0,0]=4 111 B7R0.5 CN(C)C(=O)CCCl 5555AD [0,1,0,0,0,0|3,0,0]=4 112 B7R0.5 CN(C)C(=O)CCN X4955 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.5 CNCC(=O)N(C)C 6232AD [0,1,0,0,0,0|2,0,0]=3 114 B7R0.5 CNCC(=O)N(C)C V7158 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.5 COCC(N)C(C)C 9904AH [0,1,0,0,0,0|1,1,1]=4 116 B7R0.7 C=C=CC(=O)OCC 4330AD [0,1,0,0,0,0|1,0,2]=4 117 B7R0.7 C=CCC(=O)OCC X3652 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.7 CCCC(C)CCO 6091AL [0,1,0,0,0,0|2,0,1]=4 119 B7R0.7 CCCN(C)CCC 0883AE [0,1,0,0,0,0|3,0,0]=4 120 B7R0.7 CCC[C@H](N)CCO 0636AC [0,1,0,0,0,0|2,0,1]=4 121 B7R0.7 CCNC(=O)CCN 1836AD [0,1,0,0,0,0|2,0,0]=3 122 B7R0.7 CCOC(=N)CCCl 7257AD [0,1,0,0,0,0|3,0,0]=4 123 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,1,0,0,0,0|2,0,1]=4 124 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,1,0,0,0,0|2,0,1]=4 125 B7R0.7 CCOS(=O)OCC 7113AF [0,1,0,0,0,0|3,0,0]=4 126 B7R0.10 CCC(=O)C(=O)OC W5987 [0,1,0,0,0,0|0,1,1]=3 127 B7R0.10 CCC(=O)C(O)CC 8871AL [0,1,0,0,0,0|1,0,0]=2 128 B7R0.10 CCC(C)C(C)CC 5907AL [0,1,0,0,0,0|2,0,1]=4 129 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,1,0,0,0,0|3,0,0]=4 130 B7R0.10 CNC(=O)C(C)NC 7051AE [0,1,0,0,0,0|2,0,0]=3 131 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,1,0,0,0,0|2,0,0]=3 132 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,1,0,0,0,0|3,0,0]=4 133 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,1,0,0,0,0|3,0,0]=4 134 B7R0.10 COC(=O)C(F)CO 0323AC [0,1,0,0,0,0|3,0,0]=4 135 B7R0.10 COC(=O)C(N)CCl W5534 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.10 COC(=O)C(O)CN 7006AJ [0,1,0,0,0,0|3,0,0]=4 137 B7R0.10 COC(C)C(=O)NN 2016AF [0,1,0,0,0,0|2,1,0]=4 138 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,1,0,0,0,0|2,0,1]=4 139 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,1,0,0,0,0|3,0,0]=4 140 B7R0.11 CCS(=O)(=O)CCO 4648AE [0,1,0,0,0,0|3,0,0]=4 141 B7R1.1 CCC1CCCC1 7901AL [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 CCC1CCCN1 7143AC [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 CCC1CCNC1 9496AE [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 CCN1CCCC1 8555AL [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 O=CC1=CCSC1 2331AA [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 CN1CCC(Br)C1 1332AA [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 NC1CNC(=O)C1 9509AL [0,0,0,1,0,0|3,0,0]=4 153 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 BrC1=CCCCC1 Z0360 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 C=C1CCOCC1 4680AB [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 FC1CCCCC1 1850AE [0,0,0,1,0,0|2,0,1]=4 161 B7R1.3 FC1CCCNC1 0816AQ [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 NC1CCCOC1 0386AC [0,0,0,1,0,0|1,1,1]=4 163 B7R1.3 N[C@@H]1CCCNC1 X9699 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 O=C1C=CCCN1 9030AB [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 O=C1C=CCOC1 6867AC [0,0,0,1,0,0|0,1,2]=4 167 B7R1.3 O=S1CCNCC1 V7654 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 ON1CCCCC1 W6467 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.4 CC1C=NNC1=O 1336AQ [0,0,0,1,0,0|2,0,1]=4 170 B7R1.4 NC1CSCC1O 0027AD [0,0,0,1,0,0|1,0,2]=4 171 B7R1.4 NN1CCCC1=O 0452AB [0,0,0,1,0,0|3,0,0]=4 172 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,0,0,1,0,0|3,0,0]=4 173 B7R1.4 O=C1CCCC1Cl W7923 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.4 O=C1NCC[C@H]1O W8410 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.6 CNCC1CCC1 3149AD [0,0,0,1,0,0|2,0,1]=4 176 B7R1.22 CCC(N)C1CC1 7479AD [0,0,0,1,0,0|2,0,1]=4 177 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 CC(=O)NBr 6848AF [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 CC(S)CS 4476AL [2,0,0,0,0,0|0,1,1]=4 180 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 181 B4R0.1 CSC(=N)N 4399AD [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|0,0,0]=2 183 B4R0.1 CSC(C)C 8107AL [2,0,0,0,0,0|1,0,1]=4 184 B4R0.1 CS[S+](C)C 7703AL [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|1,1,0]=4 188 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|1,1,0]=4 189 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,1,0]=4 190 B4R0.2 CCCCF 8004AD [2,0,0,0,0,0|1,0,1]=4 191 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|0,1,0]=3 193 B4R0.2 CCCON 6597AE [2,0,0,0,0,0|1,1,0]=4 194 B4R0.2 CCCSC U677 [2,0,0,0,0,0|0,0,0]=2 195 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,0]=3 196 B4R0.2 CSCCBr Y1764 [2,0,0,0,0,0|1,0,0]=3 197 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|0,0,1]=3 198 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [1,1,0,0,0,0|2,0,0]=4 199 B6R0.2 CC(=O)SC(C)=O 7216AF [1,1,0,0,0,0|2,0,0]=4 200 B6R0.2 CN(C)CC(=O)[O-] 9593AA [1,1,0,0,0,0|2,0,0]=4 201 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.3 CC(=O)C(N)CO 6844AC [1,1,0,0,0,0|2,0,0]=4 203 B6R0.3 CCC(Br)C(N)=O 5224AE [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,1,0,0,0,0|2,0,0]=4 206 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|1,0,0]=3 207 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,1,0,0,0,0|2,0,0]=4 208 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,1,0,0,0,0|2,0,0]=4 209 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,1,0,0,0,0|2,0,0]=4 210 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.3 CN[C@H](C)C(=O)O Z5607 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.3 CSC(C)C(=O)O 6148AE [1,1,0,0,0,0|1,0,0]=3 213 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|0,0,0]=2 214 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 C#CCNC(C)=O 3665AL [1,1,0,0,0,0|1,0,1]=4 216 B6R0.4 C=C(C)CCCC 5699AL [1,1,0,0,0,0|2,0,0]=4 217 B6R0.4 CC(=O)CCCBr W5938 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|2,0,0]=4 220 B6R0.4 CC(=O)SCC#N 6370AE [1,1,0,0,0,0|2,0,0]=4 221 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|2,0,0]=4 222 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|2,0,0]=4 223 B6R0.4 CCCCC(=O)Br 7391AF [1,1,0,0,0,0|2,0,0]=4 224 B6R0.4 CSCCC(=O)Cl 6126AL [1,1,0,0,0,0|1,0,0]=3 225 B6R0.6 CC#CCCCC 5638AL [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 CC=C=CCCO 1076AQ [1,1,0,0,0,0|1,0,1]=4 227 B6R0.6 CCCCCSC 7567AF [1,1,0,0,0,0|0,0,1]=3 228 B6R0.6 CCCCOCC 7302AL [1,1,0,0,0,0|0,1,1]=4 229 B6R0.6 CCCOCCC 7558AF [1,1,0,0,0,0|1,0,1]=4 230 B6R0.6 CCCSCCC 7569AF [1,1,0,0,0,0|1,0,1]=4 231 B6R0.6 CCC\C=C/CO 7423AL [1,1,0,0,0,0|1,0,1]=4 232 B6R0.6 CCOCCNC 5385AD [1,1,0,0,0,0|1,0,1]=4 233 B6R0.6 CC\C=C\CCC 9219AL [1,1,0,0,0,0|1,0,0]=3 234 B6R0.6 CNCCCOC V6596 [1,1,0,0,0,0|0,1,1]=4 235 B6R0.6 C\C=C/CCCC 7422AL [1,1,0,0,0,0|1,0,1]=4 236 B6R0.6 C\C=C/CCCCl 7455AL [1,1,0,0,0,0|1,0,1]=4 237 B6R0.6 C\C=C\CCCC 7780AF [1,1,0,0,0,0|1,0,1]=4 238 B6R0.6 C\C=C\SCCC U946 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.8 CCC(C)(N)CC 1117AE [1,1,0,0,0,0|1,0,1]=4 240 B6R0.8 CC[Si](Cl)(Cl)CC 8547AJ [1,1,0,0,0,0|1,1,0]=4 241 B6R0.9 CCC(CC)NC 7289AJ [1,1,0,0,0,0|1,0,1]=4 242 B6R0.9 CCC(CC)NN 1078AD [1,1,0,0,0,0|1,0,1]=4 243 B6R0.9 C\N=C(/NC)SC 1480AL [1,1,0,0,0,0|2,0,0]=4 244 B8R0.2 CC(C)[C@H](N)C(=O)CCl 7355AH [0,2,0,0,0,0|2,0,0]=4 245 B8R0.2 CCC(Br)C(=O)N(C)C 2371AE [0,2,0,0,0,0|2,0,0]=4 246 B8R0.2 CNC(=O)C(N)C(C)C 6354AD [0,2,0,0,0,0|2,0,0]=4 247 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O 7348AH [0,2,0,0,0,0|2,0,0]=4 248 B8R0.2 CNC(C)C(=O)N(C)C 8368AE [0,2,0,0,0,0|2,0,0]=4 249 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,2,0,0,0,0|2,0,0]=4 250 B8R0.5 CC(C)NC(=O)CC#N 4950AE [0,2,0,0,0,0|2,0,0]=4 251 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,2,0,0,0,0|2,0,0]=4 252 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,2,0,0,0,0|1,0,0]=3 253 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,2,0,0,0,0|1,0,0]=3 254 B8R0.5 CNCC(=O)NC(C)C 1017AD [0,2,0,0,0,0|1,0,0]=3 255 B8R0.5 CNCC(=O)NC(C)C 4697AE [0,2,0,0,0,0|1,0,0]=3 256 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,2,0,0,0,0|2,0,0]=4 257 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,2,0,0,0,0|2,0,0]=4 258 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,2,0,0,0,0|1,0,1]=4 259 B8R0.23 CC(C)NC(=O)C(C)C 1083AF [0,2,0,0,0,0|2,0,0]=4 260 B8R0.23 CC(C)NC(=O)C(C)Cl 3092AE [0,2,0,0,0,0|2,0,0]=4 261 B8R0.23 CC(C)NC(=O)C(C)N 2921AD [0,2,0,0,0,0|2,0,0]=4 262 B8R0.23 CN(C)CC(=O)N(C)O 0098AC [0,2,0,0,0,0|2,0,0]=4 263 B8R0.24 CNC(=O)CS(C)(=O)=O 7284AJ [0,2,0,0,0,0|1,0,1]=4 264 B8R0.1 C=CCNC(=O)CCCl 8322AC [0,2,0,0,0,0|1,0,1]=4 265 B8R0.1 C=CCNC(=O)CCN 2213AD [0,2,0,0,0,0|1,0,1]=4 266 B8R0.1 C=CCNC(=O)CNC 2215AD [0,2,0,0,0,0|1,0,1]=4 267 B8R0.1 CCCCC(=O)CCC 8758AB [0,2,0,0,0,0|1,0,0]=3 268 B8R0.1 CCCNC(=O)CCN 2039AD [0,2,0,0,0,0|1,0,0]=3 269 B8R0.1 CCCNC(=O)CNC 2661AF [0,2,0,0,0,0|1,0,0]=3 270 B8R0.1 CCCNC(=O)CNC 8106AC [0,2,0,0,0,0|1,0,0]=3 271 B8R0.1 CCOC(=O)CCOC 6085AL [0,2,0,0,0,0|0,1,0]=3 272 B8R0.1 CNCC(=O)NCCO 2049AD [0,2,0,0,0,0|1,0,0]=3 273 B8R0.1 COCCC(=O)CC#N 3252AJ [0,2,0,0,0,0|0,1,1]=4 274 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,2,0,0,0,0|1,0,1]=4 275 B8R0.1 NCCC(=O)NCCO 2327AD [0,2,0,0,0,0|2,0,0]=4 276 B8R0.3 C#CC(O)C(=O)OCC 5649AL [0,2,0,0,0,0|1,0,1]=4 277 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,2,0,0,0,0|1,0,0]=3 278 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,2,0,0,0,0|2,0,0]=4 279 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.3 COCC(Br)C(=O)OC V4873 [0,2,0,0,0,0|1,1,0]=4 281 B8R0.6 C=CCCCC(=O)OC 6778AL [0,2,0,0,0,0|2,0,0]=4 282 B8R0.6 CCCCNC(=O)CCl W6790 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.6 CCCCNC(=O)CN 7049AD [0,2,0,0,0,0|2,0,0]=4 284 B8R0.6 CCCCOC(=O)CF 1832AE [0,2,0,0,0,0|2,0,0]=4 285 B8R0.6 CCCCOC(=O)CN 3583AD [0,2,0,0,0,0|2,0,0]=4 286 B8R0.6 CCNCCC(=O)OC 6995AJ [0,2,0,0,0,0|2,0,0]=4 287 B8R0.6 COC(=O)CCCCN 9801AB [0,2,0,0,0,0|2,0,0]=4 288 B8R0.6 COCCNC(=O)CCl 0644AA [0,2,0,0,0,0|1,1,0]=4 289 B8R0.6 COCCNC(=O)CN 2350AD [0,2,0,0,0,0|1,1,0]=4 290 B8R0.6 NCC(=O)NCCCO 2231AD [0,2,0,0,0,0|2,0,0]=4 291 B8R0.8 C=CCNC(=O)C(C)N 2874AD [0,2,0,0,0,0|1,0,1]=4 292 B8R0.8 C=CCOC(=O)[C@H](C)N 6180AB [0,2,0,0,0,0|1,0,1]=4 293 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,2,0,0,0,0|2,0,0]=4 294 B8R0.8 CC(O)C(=O)NCCO 8324AL [0,2,0,0,0,0|2,0,0]=4 295 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,2,0,0,0,0|1,0,1]=4 296 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,2,0,0,0,0|1,0,0]=3 297 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,2,0,0,0,0|1,0,0]=3 298 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,2,0,0,0,0|2,0,0]=4 299 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,2,0,0,0,0|2,0,0]=4 300 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,2,0,0,0,0|2,0,0]=4 301 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,2,0,0,0,0|1,0,0]=3 302 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,2,0,0,0,0|1,0,0]=3 303 B8R0.9 CCC(=O)COC(C)=O X5648 [0,2,0,0,0,0|0,1,0]=3 304 B8R0.9 CCC(=O)NCC(=O)O 7387AD [0,2,0,0,0,0|2,0,0]=4 305 B8R0.22 CCCN(CCC)N=O 8613AL [0,2,0,0,0,0|2,0,0]=4 306 B8R0.22 COC(CSC)CSC 4527AL [0,2,0,0,0,0|0,0,2]=4 307 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,1,0,0|0,0,2]=4 309 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|0,1,0]=3 310 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|2,0,0]=4 311 B6R1.1 C1CSCCN1 8883AB [1,0,0,1,0,0|1,0,1]=4 312 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.1 CCC1COC(=O)N1 5157AD [0,1,0,1,0,0|2,0,0]=4 314 B8R1.1 CCC1CSC(C)=N1 5718AL [0,1,0,1,0,0|1,0,1]=4 315 B8R1.1 NCC1CCC(=O)N1 X3339 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,1,0,0|2,0,0]=4 317 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.1 O=C1CCC(CO)N1 9405AB [0,1,0,1,0,0|2,0,0]=4 319 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|1,0,0]=3 320 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,1,0,0|1,0,0]=3 321 B8R1.4 CC1COCC(=O)N1 V7159 [0,1,0,1,0,0|0,1,0]=3 322 B8R1.4 CN1CCC=C(Br)C1 1699AE [0,1,0,1,0,0|2,0,0]=4 323 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,1,0,1,0,0|2,0,0]=4 324 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,1,0,0|1,0,0]=3 325 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,1,0,0|1,0,0]=3 326 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,1,0,1,0,0|1,0,0]=3 327 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,1,0,1,0,0|0,1,0]=3 328 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,1,0,1,0,0|0,1,0]=3 329 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,1,0,1,0,0|2,0,0]=4 331 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [0,1,0,1,0,0|2,0,0]=4 332 B8R1.40 NCC(=O)NC1CC1 4993AH [0,1,0,1,0,0|2,0,0]=4 333 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,1,0,1,0,0|2,0,0]=4 334 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,1,0,1,0,0|2,0,0]=4 336 B8R1.2 BrC=C1CCCCC1 0651AQ [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 O=CC1CCCNC1 4398AB [0,1,0,1,0,0|1,0,1]=4 338 B8R1.3 CC1CCC(=O)NC1 3753AB [0,1,0,1,0,0|1,0,0]=3 339 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,1,0,1,0,0|1,1,0]=4 340 B8R1.3 NC1CCC(=O)NC1 7736AA [0,1,0,1,0,0|2,0,0]=4 341 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,1,0,1,0,0|2,0,0]=4 342 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,1,0,1,0,0|2,0,0]=4 343 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,1,0,1,0,0|1,0,1]=4 344 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,1,0,0|0,1,0]=3 347 B8R1.5 CC1NCCNC1=O 1693AB [0,1,0,1,0,0|2,0,0]=4 348 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|1,1,0]=4 349 B8R1.5 CN1CCNCC1=O 7723AJ [0,1,0,1,0,0|2,0,0]=4 350 B8R1.5 NN1CCCCC1=O Z4590 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,1,0,1,0,0|2,0,0]=4 352 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,1,0,1,0,0|2,0,0]=4 353 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|1,0,1]=4 355 B8R1.5 O=C1CCCCC1Br X5630 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,1,0,1,0,0|1,0,0]=3 357 B8R1.5 O=C1CCOCC1F W7452 [0,1,0,1,0,0|1,1,0]=4 358 B8R1.5 O=C1NCCCC1Br 4146AB [0,1,0,1,0,0|2,0,0]=4 359 B8R1.22 BrC1=CCCCCC1 V3936 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.22 O=C1CCCCNC1 0003AC [0,1,0,1,0,0|1,0,0]=3 361 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.22 O=C1CCSCCN1 9235AD [0,1,0,1,0,0|1,0,0]=3 363 B8R1.38 CNC(=O)C1CCC1 4798AA [0,1,0,1,0,0|2,0,0]=4 364 B8R1.38 COC(=O)C1CCN1 6194AA [0,1,0,1,0,0|2,0,0]=4 365 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,1,0,1,0,0|2,0,0]=4 367 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|1,0,1]=4 368 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,1,0,1,0,0|1,0,1]=4 369 B8R1.50 CC1=NOC(=O)C1C W3412 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|2,0,0]=4 371 B8R1.50 CN1C(=O)CSC1=S 0599AQ [0,1,0,1,0,0|1,0,1]=4 372 B8R1.50 CN1CCC(Br)C1=O 0624AE [0,1,0,1,0,0|2,0,0]=4 373 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,1,0,0|2,0,0]=4 374 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,1,0,1,0,0|0,1,0]=3 375 B8R1.54 CC(Br)C(=O)C1CC1 5469AJ [0,1,0,1,0,0|1,0,0]=3 376 B8R1.8 CCCC1=NCCN1 5769AL [0,1,0,1,0,0|2,0,0]=4 377 B8R1.8 CCCC1=NCCO1 5790AL [0,1,0,1,0,0|1,0,1]=4 378 B8R1.11 O=C1CCCN1CO 7398AF [0,1,0,1,0,0|2,0,0]=4 379 B8R1.39 COC(=O)C1(C)CO1 1431AQ [0,1,0,1,0,0|1,1,0]=4