0 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 N=C(N)CC(N)=O M69124 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C=C(C)CON M40345 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|0,0,1]=2 13 B5R0.1 C=CC[C@H](C)O P62507 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,1,1]=4 19 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CN(C)CC=O D39943 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CN(C)NC=O D66358 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.2 CC(C=O)=CN(C)C D41498 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,0,0,0,0|0,1,1]=3 40 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.9 CC(C)OS(C)(=O)=O P69616 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,1]=3 43 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,0,0,1,0,0|2,1,0]=4 47 B7R1.2 CC1=CC(C)=NO1 D39182 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,0,0,1,0,0|1,0,1]=3 49 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,0,0,1,0,0|1,1,1]=4 50 B7R1.2 CC1=CC=C(C)S1 D43320 [0,0,0,1,0,0|1,1,0]=3 51 B7R1.2 CC1=CC=C(I)S1 K40868 [0,0,0,1,0,0|1,1,1]=4 52 B7R1.2 CC1=CN(C)N=C1 D69464 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,0,0,1,0,0|2,1,0]=4 54 B7R1.2 CC1=CN=C(C)S1 D38993 [0,0,0,1,0,0|1,1,0]=3 55 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.2 CC1=CN=C(N)S1 A69715 [0,0,0,1,0,0|2,1,0]=4 57 B7R1.2 CC1=CN=C(N)S1 M69725 [0,0,0,1,0,0|2,1,0]=4 58 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.2 CC1=CNC(C)=N1 D41187 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.2 CC1=CNC(I)=N1 K40123 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 CC1=COC(N)=N1 A2053 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,0,0,1,0,0|2,1,0]=4 63 B7R1.2 CC1=CSC(C)=N1 D41174 [0,0,0,1,0,0|1,1,0]=3 64 B7R1.2 CC1=CSC(N)=C1 A0597 [0,0,0,1,0,0|2,1,0]=4 65 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,0,0,1,0,0|2,1,0]=4 67 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,0,0,1,0,0|2,1,0]=4 68 B7R1.2 CC1=NC=C(I)N1 K40124 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.2 CC1=NC=C(N)S1 M40189 [0,0,0,1,0,0|2,1,0]=4 70 B7R1.2 CC1=NN(C)C=C1 D4115 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.2 CC1=NN=C(C)N1 D0366 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.2 CC1=NN=C(N)O1 M5216 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 CC1=NNC(=S)O1 M62067 [0,0,0,1,0,0|2,1,0]=4 78 B7R1.2 CN1C=CC(=O)N1 M40182 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,1,0,0|2,1,0]=4 85 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,1]=4 94 B5R0.5 C=C(F)C(=O)O F39831 [0,0,0,0,1,0|2,0,0]=3 95 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,1,0|2,0,0]=3 96 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,1,0|1,0,2]=4 97 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,0,0,1,0|2,0,1]=4 98 B5R0.5 CN(N)C(N)=O M1991 [0,0,0,0,1,0|3,0,0]=4 99 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,1,0|2,0,1]=4 100 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,1,0|2,0,1]=4 101 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,0,0,1,0|2,0,1]=4 102 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,1,0|2,0,1]=4 103 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,1,0|2,0,1]=4 104 B5R0.5 O=C(O)C(=O)O A69569 [0,0,0,0,1,0|3,0,0]=4 105 B5R0.5 O=C(O)C(=O)O E39942 [0,0,0,0,1,0|3,0,0]=4 106 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,0,0,0,0,1|1,1,0]=3 107 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,1|2,0,0]=3 108 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,1|2,0,0]=3 109 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,1|1,0,1]=3 110 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,1|1,0,2]=4 111 B7R0.6 CC(=O)NNC(N)=S A39876 [0,0,0,0,0,1|3,0,0]=4 112 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,1|2,0,1]=4 113 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,1|2,0,1]=4 114 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,1]=4 115 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 118 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.1 COC(=N)N M69240 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.1 CCOC(=O)C#N E15572 [1,1,0,0,0,0|0,0,2]=4 124 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|0,0,1]=3 125 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|0,0,1]=3 126 B6R0.1 CCOC(=O)NN E39139 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|0,0,1]=3 128 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|0,0,2]=4 129 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.1 COC(=O)\C=C/Br B3417 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.1 COC(=O)\C=C/I I2748 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.1 COC(=O)\C=C\I M40173 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.4 C=CCCC(N)=O P5022 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.4 C=C\C=C/C(=O)O P41118 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|0,0,1]=3 144 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.5 C=CO[Si](C)(C)C V40439 [1,1,0,0,0,0|1,1,0]=4 148 B8R0.9 CC(=O)NNC(=O)CBr A66903 [0,1,0,0,0,1|2,0,0]=4 149 B8R0.9 CC(=O)NNC(=O)CCl A60722 [0,1,0,0,0,1|2,0,0]=4 150 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,1|0,0,2]=4 151 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,0,0,0,1|2,0,0]=4 152 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,0,0,0,1|2,0,0]=4 153 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,2,0,0,0,0|2,0,0]=4 154 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,2,0,0,0,0|2,0,0]=4 155 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,2,0,0,0,0|0,0,2]=4 157 B8R0.5 CC(C)OC(=O)OCI K62369 [0,2,0,0,0,0|0,0,2]=4 158 B8R0.5 COCC(=O)OC(C)C P65707 [0,2,0,0,0,0|0,0,2]=4 159 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|2,0,0]=4 161 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,2,0,0,0,0|2,0,0]=4 163 B8R0.19 COC(=O)CC(=O)OC D60836 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,2,0,0,0,0|0,0,2]=4 166 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,2,0,0,0,0|0,0,2]=4 167 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,2,0,0,0,0|0,0,2]=4 168 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,2,0,0,0,0|0,0,2]=4 169 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,1,0,0|1,0,1]=4 170 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,1,0,0|0,1,1]=4 171 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,1,0,0|1,0,1]=4 172 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,1,0,0|1,1,0]=4 173 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,1,0,0|2,0,0]=4 174 B6R1.2 CC1=COC=N1 M13405 [1,0,0,1,0,0|1,0,1]=4 175 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,1,0,0|1,1,0]=4 176 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,1,0,0|1,1,0]=4 177 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,1,0,0|2,0,0]=4 178 B6R1.2 IC1=NC=CO1 I11270 [1,0,0,1,0,0|2,0,0]=4 179 B6R1.2 NC1=NC=CO1 O5740 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,0]=3 181 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 182 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|1,0,0]=3 183 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,1,0,0|2,0,0]=4 184 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 186 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,1,0,0|2,0,0]=4 189 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,1,0,0|1,0,0]=3 190 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,1,0|1,0,1]=4 192 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,0,0,1,0,1|2,0,0]=4 193 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,0,0,1,0,1|1,0,1]=4 194 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,1,0,1|2,0,0]=4 195 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,0,0,1,0,1|1,0,1]=4 196 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,0,0,1,0,1|1,0,1]=4 197 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,0,0,1,0,1|1,0,1]=4 198 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,1|1,0,1]=4 199 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,1|2,0,0]=4 200 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,1|2,0,0]=4 201 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,1,0,1|2,0,0]=4 202 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,1,0,0|0,1,1]=4 204 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,1,0,1,0,0|1,1,0]=4 207 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,1,0,1,0,0|1,1,0]=4 208 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,1,0,1,0,0|1,1,0]=4 213 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,1,0,1,0,0|1,1,0]=4 216 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,1,0,1,0,0|1,1,0]=4 219 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,1,0,0|1,1,0]=4 221 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,1,0,1,0,0|1,1,0]=4 223 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|0,0,1]=3 249 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [0,1,0,1,0,0|1,1,0]=4 250 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.34 CC(=O)OC1CNC1 A41259 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.34 CC(=O)OC1CNC1 A43595 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,1,0,0|2,0,0]=4 262 B8R0.28 C=C(C)CNCC(=C)C B47110 [0,0,0,0,0,2|2,0,0]=4 263 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,2|1,0,1]=4 264 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,2|1,0,0]=3