0 B6R1.2 BrC1CCNC1 X9668 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 BrC1CCOC1 W4135 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 CC1=NCCN1 5706AL [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=NCCS1 5709AL [0,0,0,0,0,0|2,1,0]=3 4 B6R1.2 CC1=NN=CO1 Z4625 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 CC1CCCN1 2138AL [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 ClC1CCCC1 H294 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 ClC1CCOC1 X2032 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 ClP1OCCO1 V2040 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 N=C1CCCS1 V6112 [0,0,0,0,0,0|1,1,0]=2 12 B6R1.2 NC1=CC=NO1 Z4172 [0,0,0,0,0,0|2,0,2]=4 13 B6R1.2 NC1=NN=CO1 0114AP [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 O=C1C=CNN1 X9987 [0,0,0,0,0,0|2,0,2]=4 16 B6R1.2 O=C1C=CSN1 Z3786 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.2 O=C1CC=NN1 Z4130 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 O=C1CCNN1 W3840 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 O=C1CCON1 3285AA [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 O=C1CNCN1 X9977 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 O=S1CCCC1 X4814 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 S=C1CCCN1 7821AD [0,0,0,0,0,0|1,1,0]=2 23 B5R1.1 C1=CCCC1 7379AF [1,0,0,0,0,0|1,0,0]=2 24 B5R1.1 C1CCCC1 8499AJ [1,0,0,0,0,0|1,0,1]=3 25 B7R1.1 CCC1=NCCN1 5611AL [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 CNC1CCCC1 W8261 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 COC1=NCCC1 7443AB [0,1,0,0,0,0|1,0,1]=3 29 B7R1.1 N#CC1=CCCC1 3193AB [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 NCC1CCCC1 W7173 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 NCC1CCCN1 W7106 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 NCC1CCCN1 W7375 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,1,0,0,0,0|2,0,1]=4 34 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 NNC1CCCC1 W7612 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.1 O=CC1=CCCC1 Z4945 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.1 OCC1OCCO1 2093AL [0,1,0,0,0,0|1,0,2]=4 38 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,0,0,0|1,0,0]=2 39 B7R1.2 CC1COC(=O)N1 5156AD [0,1,0,0,0,0|1,0,0]=2 40 B7R1.2 CN1CCC(N)C1 9936AH [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,1,0,0,0,0|3,0,0]=4 43 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,1,0,0,0,0|1,0,0]=2 44 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,1,0,0,0,0|1,0,0]=2 45 B7R1.2 NC1=NCC(=O)N1 9553AA [0,1,0,0,0,0|2,0,1]=4 46 B7R1.2 NC1CCC(O)C1 X9254 [0,1,0,0,0,0|1,0,2]=4 47 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,1,0,0,0,0|1,0,2]=4 48 B7R1.2 O=C1CNC(=O)O1 1066AB [0,1,0,0,0,0|1,0,1]=3 49 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.2 OC1CCC(O)C1 7614AJ [0,1,0,0,0,0|1,0,2]=4 51 B7R1.4 BrC1=C(Br)CCC1 U121 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.4 CC1CCOC1=O W3659 [0,1,0,0,0,0|0,0,0]=1 54 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,0,0,0|2,0,0]=3 55 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,0,0,0|2,0,0]=3 56 B7R1.4 CN1CCCC1=S 4914AL [0,1,0,0,0,0|1,1,0]=3 57 B7R1.4 CN1CCSC1=S 9921AA [0,1,0,0,0,0|1,2,0]=4 58 B7R1.4 CN1N=CCC1=O 0601AA [0,1,0,0,0,0|2,0,1]=4 59 B7R1.4 NC1CCCC1O W9232 [0,1,0,0,0,0|1,0,2]=4 60 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,0,0,0|1,0,0]=2 61 B7R1.4 NC1CONC1=O Z5032 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,0,0,0|1,0,2]=4 63 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.4 O=C1CCC=C1O X8732 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.4 O=C1OCCC1O 0071AB [0,1,0,0,0,0|0,0,0]=1 67 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,0,0,0|0,0,0]=1 68 B7R1.4 O=C1O[Ca]OC1=O 6793AF [0,1,0,0,0,0|2,0,1]=4 69 B7R1.4 O=C1O[Fe]OC1=O 6807AF [0,1,0,0,0,0|2,0,1]=4 70 B7R1.4 O=C1O[Fe]OC1=O 6808AF [0,1,0,0,0,0|2,0,1]=4 71 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,0,0,0|1,0,2]=4 72 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,0,0,0|1,0,2]=4 73 B7R1.14 CC1(C)CCCN1 W7438 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 C=C(Br)CCO X2989 [0,0,1,0,0,0|3,0,0]=4 75 B5R0.1 C=C(C)CCBr Z4377 [0,0,1,0,0,0|3,0,0]=4 76 B5R0.1 C=C(C)CCC 5700AL [0,0,1,0,0,0|2,0,0]=3 77 B5R0.1 C=CNC(C)=O 8689AL [0,0,1,0,0,0|1,0,2]=4 78 B5R0.1 CC(C)=CCBr Z1911 [0,0,1,0,0,0|3,0,0]=4 79 B5R0.1 CNCC(=O)O 9764AB [0,0,1,0,0,0|1,0,0]=2 80 B5R0.1 CNOC(C)=O 8699AL [0,0,1,0,0,0|1,0,0]=2 81 B5R0.1 COCC(=N)N W4095 [0,0,1,0,0,0|3,0,0]=4 82 B5R0.1 COCC(C)=O U020 [0,0,1,0,0,0|2,0,0]=3 83 B5R0.1 CSCC(C)=O Y1373 [0,0,1,0,0,0|2,0,0]=3 84 B5R0.1 CSCS(C)=O E772 [0,0,1,0,0,0|3,0,0]=4 85 B5R0.1 NCCC(N)=O 6432AB [0,0,1,0,0,0|2,0,0]=3 86 B5R0.1 NCCS(=O)O 0301AQ [0,0,1,0,0,0|2,0,0]=3 87 B5R0.1 O=C(O)CCI 7031AF [0,0,1,0,0,0|1,0,0]=2 88 B5R0.2 C=CCCC=C 7447AF [0,0,1,0,0,0|2,0,1]=4 89 B5R0.2 C=CCCCN 2628AB [0,0,1,0,0,0|2,0,0]=3 90 B5R0.2 C=CCNC=O 5211AD [0,0,1,0,0,0|1,0,2]=4 91 B5R0.2 CC#CCCC 7448AF [0,0,1,0,0,0|2,0,1]=4 92 B5R0.2 CCCCON 7308AJ [0,0,1,0,0,0|3,0,0]=4 93 B5R0.2 CCCOC=O 8880AL [0,0,1,0,0,0|0,0,0]=1 94 B5R0.2 CCCSSC 8846AJ [0,0,1,0,0,0|2,1,0]=4 95 B5R0.2 N#CCCCBr B613 [0,0,1,0,0,0|2,0,1]=4 96 B5R0.2 N#CCOC=O 7500AL [0,0,1,0,0,0|1,0,1]=3 97 B5R0.2 NCCCCBr 4038AB [0,0,1,0,0,0|2,0,1]=4 98 B5R0.2 NCCCCBr Z4484 [0,0,1,0,0,0|2,0,1]=4 99 B5R0.2 NCCCCCl 9859AB [0,0,1,0,0,0|2,0,1]=4 100 B5R0.2 OCCNCO 5459AL [0,0,1,0,0,0|1,0,2]=4 101 B5R0.3 C=CC(=O)NC 3091AA [0,0,1,0,0,0|1,0,2]=4 102 B5R0.3 CCC(=O)NC 7273AF [0,0,1,0,0,0|1,0,0]=2 103 B5R0.3 CCC(=O)NN 6023AE [0,0,1,0,0,0|2,0,0]=3 104 B5R0.3 CCC(C)CC 6117AL [0,0,1,0,0,0|2,0,1]=4 105 B5R0.3 CCC(C)NC 9511AE [0,0,1,0,0,0|2,0,1]=4 106 B5R0.3 CCN(C)CC 7490AH [0,0,1,0,0,0|3,0,0]=4 107 B5R0.3 CC\C(N)=N\O 9295AD [0,0,1,0,0,0|3,0,0]=4 108 B5R0.3 COS(=O)OC 6871AF [0,0,1,0,0,0|2,0,0]=3 109 B5R0.3 CS\C(O)=[SH]/C K552 [0,0,1,0,0,0|1,1,1]=4 110 B5R0.3 NNC(=O)CO 4389AB [0,0,1,0,0,0|3,0,0]=4 111 B5R1.2 BrC1CNC1 7707AB [0,0,0,0,1,0|2,0,1]=4 112 B5R1.2 CC1CNC1 W9623 [0,0,0,0,1,0|2,0,1]=4 113 B5R1.2 ClC1CCC1 Z7366 [0,0,0,0,1,0|1,0,1]=3 114 B5R1.2 ClC1CNC1 3365AB [0,0,0,0,1,0|2,0,1]=4 115 B5R1.2 FC1CNC1 X3056 [0,0,0,0,1,0|2,0,1]=4 116 B5R1.2 NC1CNC1 0554AA [0,0,0,0,1,0|2,0,1]=4 117 B5R1.2 NC1COC1 6668AB [0,0,0,0,1,0|2,0,1]=4 118 B5R1.2 O=C1CCN1 W9581 [0,0,0,0,1,0|1,0,0]=2 119 B5R1.2 O=C1CSC1 Z4430 [0,0,0,0,1,0|1,0,0]=2 120 B5R1.2 OC1CNC1 W6360 [0,0,0,0,1,0|1,0,2]=4 121 B7R1.3 BrC1CCCOC1 X9769 [0,0,0,0,0,1|1,0,1]=3 122 B7R1.3 BrC1CCOCC1 W4892 [0,0,0,0,0,1|2,0,1]=4 123 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,0,0,1|2,0,0]=3 124 B7R1.3 CC1COCCN1 W6211 [0,0,0,0,0,1|2,0,1]=4 125 B7R1.3 CN1CCNCC1 4120AB [0,0,0,0,0,1|3,0,0]=4 126 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,0,0,0,0,1|1,0,1]=3 127 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,0,0,0,0,1|1,0,1]=3 128 B7R1.3 C[C@@H]1COCCN1 X4857 [0,0,0,0,0,1|2,0,1]=4 129 B7R1.3 C[C@H]1CNCCO1 W8218 [0,0,0,0,0,1|1,0,1]=3 130 B7R1.3 C[C@H]1COCCN1 X4748 [0,0,0,0,0,1|2,0,1]=4 131 B7R1.3 ClC1CCNCC1 7684AB [0,0,0,0,0,1|2,0,1]=4 132 B7R1.3 ClC1CCNCC1 Q214 [0,0,0,0,0,1|2,0,1]=4 133 B7R1.3 NC1CCCNC1 5237AE [0,0,0,0,0,1|2,0,1]=4 134 B7R1.3 NC1CCCOC1 X9447 [0,0,0,0,0,1|1,0,1]=3 135 B7R1.3 NC1CCSCC1 W4711 [0,0,0,0,0,1|2,0,1]=4 136 B7R1.3 NN1CCCCC1 O184 [0,0,0,0,0,1|3,0,0]=4 137 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,0,0,0,0,1|1,0,1]=3 138 B7R1.3 O=C1C=CC=CO1 X6757 [0,0,0,0,0,1|0,0,3]=4 139 B7R1.3 O=C1CCCNC1 7001AB [0,0,0,0,0,1|1,0,0]=2 140 B7R1.3 O=C1CCCSC1 Z4344 [0,0,0,0,0,1|0,1,0]=2 141 B7R1.3 O=C1CCNCC1 5781AB [0,0,0,0,0,1|1,0,0]=2 142 B7R1.3 O=C1COCCO1 3182AB [0,0,0,0,0,1|0,0,0]=1 143 B7R1.3 OC1CCSCC1 W5218 [0,0,0,0,0,1|1,0,2]=4 144 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,0,0,0,0,1|1,0,2]=4 145 B4R0.1 CC(=O)O[Cu] X3614 [1,0,1,0,0,0|1,0,0]=3 146 B4R0.1 CC(=O)O[Tl] 6845AF [1,0,1,0,0,0|1,0,0]=3 147 B4R0.1 CCC(N)=S 9153AL [1,0,1,0,0,0|1,1,0]=4 148 B4R0.1 CO[SiH](C)C 3278AL [1,0,1,0,0,0|1,1,0]=4 149 B4R0.1 NCC(N)=O 1224AA [1,0,1,0,0,0|2,0,0]=4 150 B4R0.1 NCC(N)=O W7259 [1,0,1,0,0,0|2,0,0]=4 151 B4R0.2 C=CCCC 7306AF [1,0,1,0,0,0|1,0,0]=3 152 B4R0.2 C=CCCN 2362AH [1,0,1,0,0,0|1,0,1]=4 153 B4R0.2 C=CSCC 7899AL [1,0,1,0,0,0|0,1,1]=4 154 B4R0.2 CCCC#N A365 [1,0,1,0,0,0|1,0,1]=4 155 B4R0.2 CCCCC 8942AJ [1,0,1,0,0,0|1,0,1]=4 156 B4R0.2 CCCCN 7306AL [1,0,1,0,0,0|1,0,1]=4 157 B4R0.2 CCCCS 4787AL [1,0,1,0,0,0|0,1,1]=4 158 B4R0.2 CCNCC 7648AL [1,0,1,0,0,0|1,0,1]=4 159 B4R0.2 CCNCC 7649AL [1,0,1,0,0,0|1,0,1]=4 160 B4R0.2 CCNCC 7650AL [1,0,1,0,0,0|1,0,1]=4 161 B4R0.2 CCOC=N M412 [1,0,1,0,0,0|1,0,0]=3 162 B4R0.2 CO[Ca]OC 9618AJ [1,0,1,0,0,0|2,0,0]=4 163 B4R0.2 CSCCO U461 [1,0,1,0,0,0|1,0,1]=4 164 B4R0.2 C\C=C\CC 7309AF [1,0,1,0,0,0|1,0,0]=3 165 B4R0.2 C\C=C\OC 1641AL [1,0,1,0,0,0|0,0,1]=3 166 B4R0.2 NCCCN 7173AL [1,0,1,0,0,0|2,0,0]=4 167 B4R0.2 NCCCO 5983AL [1,0,1,0,0,0|1,0,0]=3 168 B4R0.2 NCCON W5869 [1,0,1,0,0,0|2,0,0]=4 169 B4R0.2 NOCCO 5251AJ [1,0,1,0,0,0|2,0,0]=4 170 B6R0.1 C=CC(O)CCC I123 [0,1,1,0,0,0|1,0,1]=4 171 B6R0.1 C=COC(=O)CC 7389AF [0,1,1,0,0,0|0,0,2]=4 172 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,1,0,0,0|1,0,0]=3 173 B6R0.1 CCNC(=O)CC 8553AL [0,1,1,0,0,0|1,0,0]=3 174 B6R0.1 CCOC(=O)CI 7240AF [0,1,1,0,0,0|0,0,0]=2 175 B6R0.1 CCOC(=O)NO 6247AE [0,1,1,0,0,0|1,0,0]=3 176 B6R0.1 CCOC(=O)OC 7884AL [0,1,1,0,0,0|0,0,0]=2 177 B6R0.1 CNC(=O)CCN 4757AE [0,1,1,0,0,0|2,0,0]=4 178 B6R0.1 COC(=O)OCCl 0229AP [0,1,1,0,0,0|1,0,0]=3 179 B6R0.1 C\C=C\C(=O)CC 2730AL [0,1,1,0,0,0|1,0,1]=4 180 B6R0.2 CC(=O)NC(C)=O 7247AF [0,1,1,0,0,0|1,0,1]=4 181 B6R0.2 CC(=O)NC(C)C X8984 [0,1,1,0,0,0|1,0,0]=3 182 B6R0.2 CC(C)NC(N)=O X3415 [0,1,1,0,0,0|2,0,0]=4 183 B6R0.2 CC(C)OC(N)=O 7274AF [0,1,1,0,0,0|1,0,0]=3 184 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,1,1,0,0,0|0,0,0]=2 185 B6R0.2 CC(N)CC(=O)O 3162AL [0,1,1,0,0,0|0,0,0]=2 186 B6R0.2 CC(O)CC(C)O 5338AL [0,1,1,0,0,0|1,0,1]=4 187 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,1,1,0,0,0|0,0,0]=2 188 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,1,1,0,0,0|1,0,1]=4 189 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,1,1,0,0,0|0,0,0]=2 190 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,1,1,0,0,0|1,0,1]=4 191 B6R0.3 CC(=O)C(=O)CBr W6757 [0,1,1,0,0,0|2,0,0]=4 192 B6R0.3 CC(CN)C(=O)O B714 [0,1,1,0,0,0|1,0,0]=3 193 B6R0.3 CCC(=O)C(C)=O 7386AF [0,1,1,0,0,0|1,0,0]=3 194 B6R0.3 CCC(Br)C(=O)Cl 5533AL [0,1,1,0,0,0|1,0,0]=3 195 B6R0.3 CCC(Cl)C(=O)O 7236AF [0,1,1,0,0,0|0,0,0]=2 196 B6R0.3 CCC(O)C(=O)O Z2570 [0,1,1,0,0,0|0,0,0]=2 197 B6R0.3 CC[C@H](N)C(N)=O V3235 [0,1,1,0,0,0|1,0,0]=3 198 B6R0.3 CNC(C)C(=O)O 0549AP [0,1,1,0,0,0|1,0,0]=3 199 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,1,0,0,0|1,0,0]=3 200 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,1,1,0,0,0|1,0,0]=3 201 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,1,1,0,0,0|1,0,0]=3 202 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,1,0,0,0|2,0,0]=4 203 B6R0.3 NC(CCl)C(=O)O 1396AE [0,1,1,0,0,0|1,0,0]=3 204 B6R0.3 NCC(F)C(=O)O 5631AL [0,1,1,0,0,0|1,0,0]=3 205 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,1,0,0,0|1,0,0]=3 206 B6R0.3 NCC(N)C(=O)O V0517 [0,1,1,0,0,0|1,0,0]=3 207 B6R0.3 NCC(O)C(=O)O X2972 [0,1,1,0,0,0|1,0,0]=3 208 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [0,1,1,0,0,0|1,0,0]=3 209 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [0,1,1,0,0,0|1,0,0]=3 210 B6R0.3 O=C(O)C(=O)CBr 7040AD [0,1,1,0,0,0|1,0,1]=4 211 B6R0.4 CC(O)CCCO 1536AL [0,1,1,0,0,0|1,0,1]=4 212 B6R0.4 CCC#CC(C)=O 6057AL [0,1,1,0,0,0|1,0,0]=3 213 B6R0.4 CCCCC(=N)N 1867AA [0,1,1,0,0,0|2,0,0]=4 214 B6R0.4 CCCCC(=N)N 9567AA [0,1,1,0,0,0|2,0,0]=4 215 B6R0.4 CCCNC(N)=O P685 [0,1,1,0,0,0|1,0,0]=3 216 B6R0.4 CCCOC(N)=O 9471AB [0,1,1,0,0,0|1,0,0]=3 217 B6R0.4 CCCSC(C)=O R568 [0,1,1,0,0,0|0,1,0]=3 218 B6R0.4 CCNCC(=O)O X5133 [0,1,1,0,0,0|0,0,0]=2 219 B6R0.4 CSCCC(C)=O L760 [0,1,1,0,0,0|1,0,0]=3 220 B6R0.4 N#CCCC(=O)O W3483 [0,1,1,0,0,0|0,0,1]=3 221 B6R0.4 NC(=O)CCCCl Y1653 [0,1,1,0,0,0|1,0,0]=3 222 B6R0.4 NCCCC(N)=O 5556AA [0,1,1,0,0,0|1,0,0]=3 223 B6R0.4 O=C([O-])CNCO 0872AC [0,1,1,0,0,0|1,0,1]=4 224 B6R0.4 O=[N+]([O-])CCCO V2307 [0,1,1,0,0,0|1,0,1]=4 225 B6R0.4 [N-]=[N+]=NCC(=O)O 1050AQ [0,1,1,0,0,0|2,0,0]=4 226 B6R0.5 CCCC(C)(C)O 5708AL [0,1,1,0,0,0|1,0,1]=4 227 B6R0.5 CCCS(N)(=O)=O 1771AB [0,1,1,0,0,0|1,0,1]=4 228 B6R0.5 CCOC(C)(C)C 7559AF [0,1,1,0,0,0|1,0,1]=4 229 B6R0.5 NCCP(=O)(O)O 0463AB [0,1,1,0,0,0|2,0,0]=4 230 B6R0.5 O=S(=O)(O)CCBr B641 [0,1,1,0,0,0|2,0,0]=4 231 B6R0.6 C=CCCCCCl X6224 [0,1,1,0,0,0|2,0,0]=4 232 B6R0.6 CCCNCCO 8316AA [0,1,1,0,0,0|1,0,1]=4 233 B6R0.6 CNCCCCO 5794AB [0,1,1,0,0,0|1,0,1]=4 234 B6R0.6 C\C=C/CCCO 7448AL [0,1,1,0,0,0|1,0,0]=3 235 B6R0.9 CC=C(CC)CC 6043AL [0,1,1,0,0,0|2,0,0]=4 236 B6R1.5 CC1CC(=O)O1 7160AL [0,1,0,0,1,0|0,0,0]=2 237 B6R1.5 NC1CC(O)C1 0869AA [0,1,0,0,1,0|0,0,2]=4 238 B6R1.5 NC1CC(O)C1 W6394 [0,1,0,0,1,0|0,0,2]=4 239 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,0,1,0|0,0,0]=2 240 B6R1.6 CNC1CCC1 4414AJ [0,1,0,0,1,0|1,0,1]=4 241 B6R1.6 ICC1CCO1 1038AD [0,1,0,0,1,0|1,0,1]=4 242 B6R1.6 NCC1CCC1 W6312 [0,1,0,0,1,0|1,0,1]=4 243 B6R1.6 NCC1CCC1 W6876 [0,1,0,0,1,0|1,0,1]=4 244 B6R1.6 NNC1CCC1 2537AA [0,1,0,0,1,0|1,0,1]=4 245 B6R1.6 NNC1CCC1 W3433 [0,1,0,0,1,0|1,0,1]=4 246 B6R1.6 OCC1CCO1 Z4942 [0,1,0,0,1,0|0,0,2]=4 247 B6R1.10 CC1(N)CCC1 9055AA [0,1,0,0,1,0|1,0,1]=4 248 B6R1.10 CC1(N)CCC1 X5278 [0,1,0,0,1,0|1,0,1]=4 249 B8R1.2 CCC1CNCCO1 V6407 [0,1,0,0,0,1|1,0,1]=4 250 B8R1.2 N#CC1=CCCCO1 6287AJ [0,1,0,0,0,1|1,0,0]=3 251 B8R1.2 NCC1CCCCO1 V7179 [0,1,0,0,0,1|1,0,1]=4 252 B8R1.2 NC[C@H]1COCCO1 8566AH [0,1,0,0,0,1|1,0,1]=4 253 B8R1.2 O=CC1=CCCOC1 Z4103 [0,1,0,0,0,1|0,0,1]=3 254 B8R1.2 O=CC1CCCOC1 2092AC [0,1,0,0,0,1|0,0,1]=3 255 B8R1.2 O=CC1CCOCC1 X4660 [0,1,0,0,0,1|1,0,1]=4 256 B8R1.2 OCC1CNCCO1 W3143 [0,1,0,0,0,1|0,0,2]=4 257 B8R1.2 OCC1CNCCO1 X8636 [0,1,0,0,0,1|0,0,2]=4 258 B8R1.2 OC[C@@H]1CNCCO1 X9792 [0,1,0,0,0,1|0,0,2]=4 259 B8R1.2 ON=C1CCOCC1 6645AE [0,1,0,0,0,1|1,0,1]=4 260 B8R1.2 ON=C1CCSCC1 7052AE [0,1,0,0,0,1|1,0,1]=4 261 B8R1.3 CC1COC(C)CN1 Z6902 [0,1,0,0,0,1|1,0,1]=4 262 B8R1.3 O=C1CCC(O)CN1 W4138 [0,1,0,0,0,1|1,0,0]=3 263 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,0,0,1|1,0,0]=3 264 B8R1.4 CC1CC(=O)CCO1 3309AA [0,1,0,0,0,1|1,0,0]=3 265 B8R1.4 CC1CC(O)CCO1 1817AJ [0,1,0,0,0,1|1,0,1]=4 266 B8R1.4 CC1CCNC(=N)C1 1356AH [0,1,0,0,0,1|2,0,0]=4 267 B8R1.4 CN1CCOC(=O)C1 9637AA [0,1,0,0,0,1|0,0,0]=2 268 B8R1.4 O=C1CC(O)CCN1 V1296 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.4 O=C1CNCC(=O)N1 W6436 [0,1,0,0,0,1|1,0,1]=4 270 B8R1.4 O=C1COCC(=O)C1 9192AB [0,1,0,0,0,1|0,0,1]=3 271 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,1,0,0,0,1|1,0,0]=3 272 B8R1.5 CC1CCCNC1=O Y8918 [0,1,0,0,0,1|1,0,0]=3 273 B8R1.5 CC1CNCCC1=O W6393 [0,1,0,0,0,1|1,0,0]=3 274 B8R1.5 CC1COCCC1O 2365AJ [0,1,0,0,0,1|1,0,1]=4 275 B8R1.5 CC1SCCNC1=O 8229AE [0,1,0,0,0,1|1,0,0]=3 276 B8R1.5 CN1CCCNC1=O 7411AC [0,1,0,0,0,1|1,0,0]=3 277 B8R1.5 CN1CCNCC1=O 1842AA [0,1,0,0,0,1|1,0,0]=3 278 B8R1.5 CN1CCNCC1=O 6558AD [0,1,0,0,0,1|1,0,0]=3 279 B8R1.5 CN1CCNCC1=O X7943 [0,1,0,0,0,1|1,0,0]=3 280 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,1,0,0,0,1|1,0,0]=3 281 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,1,0,0,0,1|1,0,0]=3 282 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [0,1,0,0,0,1|1,0,0]=3 283 B8R1.5 N[C@H]1CCCNC1=O 5871AB [0,1,0,0,0,1|1,0,0]=3 284 B8R1.5 O=C1NCCCC1O W4139 [0,1,0,0,0,1|1,0,0]=3 285 B8R1.5 OC1OCCOC1O V6147 [0,1,0,0,0,1|0,0,2]=4 286 B8R1.72 CC1(C)CNCCO1 7349AA [0,1,0,0,0,1|1,0,1]=4 287 B8R1.72 O=S1(=O)CCCCN1 V5571 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.72 O=S1(=O)CCOCC1 1581AA [0,1,0,0,0,1|2,0,0]=4 289 B8R1.72 O=S1(=O)OCCCO1 Z7112 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.1 COC1=CC(=O)CC1 6398AB [0,2,0,0,0,0|1,0,1]=4 291 B8R1.1 COC1=CC(=O)OC1 1405AQ [0,2,0,0,0,0|0,0,2]=4 292 B8R1.1 NCC1CCC(=O)N1 2507AA [0,2,0,0,0,0|1,0,0]=3 293 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [0,2,0,0,0,0|0,0,2]=4 294 B8R1.1 O=C1CCC(CBr)O1 3312AH [0,2,0,0,0,0|0,0,0]=2 295 B8R1.1 O=C1CCC(CO)O1 X3393 [0,2,0,0,0,0|0,0,0]=2 296 B8R1.1 O=C1CC[C@@H](CBr)N1 W8109 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.1 O=C1CC[C@@H](CO)O1 N841 [0,2,0,0,0,0|0,0,0]=2 298 B8R1.1 O=C1CC[C@H](CBr)N1 W9851 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,2,0,0,0,0|0,0,0]=2 300 B8R1.1 O=C1NCC(CCl)O1 2907AL [0,2,0,0,0,0|1,0,0]=3 301 B8R1.1 O=C1NC[C@@H](CCl)O1 8648AA [0,2,0,0,0,0|1,0,0]=3 302 B8R1.7 NC(=O)C1CCCO1 5362AC [0,2,0,0,0,0|0,0,1]=3 303 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [0,2,0,0,0,0|2,0,0]=4 304 B8R1.8 CNCC1CCCO1 7539AF [0,2,0,0,0,0|1,0,1]=4 305 B8R1.8 O=C=NC1CCCC1 4108AE [0,2,0,0,0,0|1,0,1]=4 306 B8R1.11 CCC1CCCC1=O 6742AB [0,2,0,0,0,0|1,0,0]=3 307 B8R1.11 N#CC1CCCC1=O U935 [0,2,0,0,0,0|1,0,0]=3 308 B8R1.18 C=C1CC(C)OC1=O 7069AL [0,2,0,0,0,0|0,0,1]=3 309 B8R1.18 C[C@@H]1NC(=O)OC1=O Z1644 [0,2,0,0,0,0|1,0,1]=4 310 B8R1.18 N[C@@H]1CC(=O)OC1=O W3122 [0,2,0,0,0,0|0,0,1]=3 311 B8R1.50 CC1=C(O)COC1=O 2737AL [0,2,0,0,0,0|0,0,2]=4 312 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,2,0,0,0,0|1,0,0]=3 313 B8R1.50 CN1CCC(N)C1=O 0714AD [0,2,0,0,0,0|1,0,0]=3 314 B8R1.50 NN1C(=O)CCC1=O 8496AL [0,2,0,0,0,0|1,0,1]=4 315 B8R1.50 O=C1CCC(=O)N1O 4715AH [0,2,0,0,0,0|1,0,1]=4 316 B8R1.50 O=C1COC(=O)C1Cl 6019AL [0,2,0,0,0,0|0,0,1]=3 317 B8R1.50 O=C1OCC(Br)=C1Br 4605AD [0,2,0,0,0,0|0,0,2]=4 318 B8R1.51 CC1(C)CCC(=O)N1 7217AB [0,2,0,0,0,0|1,0,0]=3 319 B8R1.51 CC1(C)CNC(=O)C1 0268AC [0,2,0,0,0,0|1,0,0]=3 320 B8R1.51 CC1CCS(=O)(=O)C1 7323AF [0,2,0,0,0,0|2,0,0]=4 321 B8R1.51 CC1COS(=O)(=O)O1 V6678 [0,2,0,0,0,0|2,0,0]=4 322 B8R1.51 NC1CCS(=O)(=O)C1 9651AB [0,2,0,0,0,0|2,0,0]=4 323 B8R1.51 NC1CCS(=O)(=O)C1 W6650 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.19 CC1(C)CCNC1=O 4182AE [0,2,0,0,0,0|1,0,0]=3 325 B8R1.19 CC1CCOS1(=O)=O 6087AL [0,2,0,0,0,0|1,0,0]=3 326 B8R1.19 CN1CCCS1(=O)=O V7910 [0,2,0,0,0,0|2,0,0]=4 327 B6R1.11 NC(=S)C1CC1 6843AD [0,0,1,1,0,0|1,1,0]=4 328 B6R1.11 O=S([O-])C1CC1 V8957 [0,0,1,1,0,0|1,0,1]=4 329 B6R1.1 C1=CCOCC1 X4947 [0,0,1,1,0,0|1,0,1]=4 330 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 8387AH [0,0,0,1,0,1|1,0,1]=4 331 B8R2.34 [C@H]12CO[C@H](CN1)C2 8424AH [0,0,0,1,0,1|1,0,1]=4 332 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,0,0,0,2|1,0,0]=3 333 B8R1.22 O=C1CCOCCN1 0717AP [0,0,0,0,0,2|1,0,0]=3 334 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,0,0,2|0,0,0]=2