0 B5R0.1 C#CCC(=O)O B38084 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CON M40345 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C=C(C)OCC E5573 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=CC[C@H](C)O P62507 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC#CC(=O)O B67945 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(=O)CC#N X40158 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(=O)CCCl C69539 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CCOC(=N)N E36845 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CCOC(=S)[S-] P69346 [0,0,0,0,0,0|1,1,2]=4 9 B5R0.1 CCOC(C)=N E68065 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CN(C)CC=O D39943 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CN(C)NC=O D66358 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 CNCC(=O)O M68590 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CNCC(N)=O M68358 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 COCC(=O)O M69331 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C\C(N)=C\C#N A60547 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 N#CCC(N)=O C60562 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 NCCC(N)=O A67869 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 NOCC(=O)O C40302 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 O=C(O)\C=C\Br B9431 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 C#CC(N)=O P39827 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(=N)NN A38897 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)NN A64932 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(N)=NO H37897 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CCC(N)=O P68920 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 COC(=N)N M69240 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 NC(=O)CBr B39771 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 NC(=O)CI K60849 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 NCC(N)=O G69255 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 NNC(N)=O S69135 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 C=CCON A39923 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 C#CCC(=O)OC M41116 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CC#CC(=O)OC M62298 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 CCOC(=O)C#N E15572 [0,1,0,0,0,0|0,0,3]=4 44 B6R0.1 CCOC(=O)CN G69291 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.1 CCOC(=O)CO E37817 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.1 CCOC(=O)NN E39139 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 CCOC(=O)OC E40254 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.1 CCO\C(C)=N\O E68624 [0,1,0,0,0,0|0,0,3]=4 49 B6R0.1 CNC(=O)CC#N C40181 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CNC(=O)CCN A40306 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 COC(=O)C#CBr M38132 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 COC(=O)CC#N M68915 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 COC(=O)CCBr M39155 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 COC(=O)CCN M67902 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 COC(=O)CCO M24551 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 COC(=O)OCCl C62332 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 COC(=O)\C=C/Br B3417 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 COC(=O)\C=C/I I2748 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 COC(=O)\C=C\I M40173 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.2 CC(=O)C=C(C)N A41256 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.2 CC(=O)NC(C)C P40402 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,1,0,0,0,0|0,0,2]=3 63 B6R0.2 N=C(N)CC(N)=O M69124 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CCN(C)C(C)=O E40404 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 CON(C)C(C)=O M3307 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.4 C=CCCC(=O)O P37823 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.4 C=CCCC(N)=O P5022 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 C=C\C=C/C(=O)O P41118 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(=O)CCCCl C68599 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.4 CC(=O)NCCN A68626 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 CC(=O)NCCO H68625 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.4 CC(=O)OCCBr B67892 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.4 CCCOC(N)=O P40264 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.4 CN(C)\C=C\C=O D36904 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.4 COC=CC(C)=O M41222 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.4 O=C(O)\C=C\CBr B37272 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.5 C=CCC(C)(C)O M8263 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.5 C=CO[Si](C)(C)C V40439 [0,1,0,0,0,0|1,1,0]=3 81 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,1,0,0|1,1,1]=4 82 B6R1.2 BrC1=NC=CN1 B2807 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 BrC1=NC=CS1 B2607 [0,0,0,1,0,0|2,1,0]=4 84 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,1,0,0|2,0,0]=3 85 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,1,0,0|1,1,0]=3 86 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,1,0,0|2,1,0]=4 88 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 CC1=COC=N1 M13405 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 CC1=NC=CS1 M40165 [0,0,0,1,0,0|1,1,0]=3 92 B6R1.2 CC1=NN=CN1 M15832 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 CC1=NN=CO1 M32022 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 CN1C=CC=N1 M12066 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 ClC1=NC=CN1 C38255 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 ClC1=NC=CS1 C2694 [0,0,0,1,0,0|2,1,0]=4 99 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,1,0,0|1,1,1]=4 100 B6R1.2 IC1=NC=CO1 I11270 [0,0,0,1,0,0|2,0,0]=3 101 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 NC1=NC=CN1 A28762 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 NC1=NC=CN1 A39803 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 NC1=NC=CO1 O5740 [0,0,0,1,0,0|2,0,0]=3 105 B6R1.2 NC1=NC=CS1 T39140 [0,0,0,1,0,0|2,1,0]=4 106 B6R1.2 NC1CC=CC1 A13279 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|1,0,1]=3 108 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|0,0,2]=3 109 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,1,0,0|1,0,0]=2 112 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.2 O=C1CCNC1 P0198 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 O=C1CCNN1 P39917 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 O=C1CCOC1 X0391 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 O=C1NC=CN1 K39835 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 O=C1NC=CO1 X39828 [0,0,0,1,0,0|1,0,0]=2 119 B6R1.2 OC1=NC=CS1 H39829 [0,0,0,1,0,0|1,1,1]=4 120 B6R1.2 OC1CC=CC1 C67522 [0,0,0,1,0,0|1,0,2]=4 121 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.10 O=S1(=O)C=CC1 T5975 [0,0,0,1,0,0|3,0,0]=4 127 B3R0.1 CCON E60797 [2,0,0,0,0,0|1,0,1]=4 128 B3R0.2 C=C(C)[Mg+] K5651 [2,0,0,0,0,0|1,0,0]=3 129 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|0,0,0]=2 130 B3R0.2 CC(=O)[O-] C69398 [2,0,0,0,0,0|0,0,1]=3 131 B3R0.2 CC(=O)[O-] M67642 [2,0,0,0,0,0|0,0,1]=3 132 B3R0.2 CC(=O)[O-] N62590 [2,0,0,0,0,0|0,0,1]=3 133 B3R0.2 CC(=O)[O-] P67455 [2,0,0,0,0,0|0,0,1]=3 134 B3R0.2 CC(=O)[O-] R62611 [2,0,0,0,0,0|0,0,1]=3 135 B3R0.2 CC(=O)[O-] S62515 [2,0,0,0,0,0|0,0,1]=3 136 B3R0.2 C[S@](=O)[O-] S60840 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.2 O=C([O-])[O-] S60755 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.3 C#CC(=O)OC M40108 [1,1,0,0,0,0|0,0,2]=4 139 B5R0.3 C=CC(=O)NC M37664 [1,1,0,0,0,0|0,0,0]=2 140 B5R0.3 C=C[C@H](C)ON B40346 [1,1,0,0,0,0|0,0,2]=4 141 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.3 CCC(=O)CN A32390 [1,1,0,0,0,0|0,0,2]=4 143 B5R0.3 CCC(=O)CO H36713 [1,1,0,0,0,0|0,0,2]=4 144 B5R0.3 CNC(=O)CBr B60913 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.3 CNC(=O)CCl C67921 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.3 COC(=O)CN M69126 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.3 COC(=O)CO M67586 [1,1,0,0,0,0|0,0,1]=3 148 B5R0.3 NNC(=O)CO H32091 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.3 O=C(CCl)CCl D4849 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|1,1,0]=4 151 B5R0.4 COS(C)(=O)=O M67643 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.5 C=C(F)C(=O)O F39831 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.5 O=C(O)C(=O)O A69569 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.5 O=C(O)C(=O)O E39942 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.2 C=CCCCBr B41237 [1,1,0,0,0,0|1,0,1]=4 157 B5R0.2 C=CCCCCl C41238 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.2 C=CCCCO P36921 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|0,0,2]=4 161 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.2 CCC(=O)OC(C)=O A41227 [0,2,0,0,0,0|0,0,1]=3 163 B7R0.2 COC(=O)C=C(C)C M41461 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.2 COC(=O)CC(=O)O M37882 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.3 C=CCOC(=O)CI P7846 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.3 CCCOC(=O)OC M40388 [0,2,0,0,0,0|0,0,2]=4 170 B7R0.3 COC(=O)C=CCBr M37461 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.3 COC(=O)CNC=O M40228 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.3 COC(=O)\C=C\CBr M41176 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.3 COC=CC(=O)OC M39186 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.3 CO\C=C\C(=O)OC M41228 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.5 CC(C)C(=O)OCCl C24559 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.5 CCOC(=O)C(C)=O E60800 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,2,0,0,0,0|0,0,2]=4 181 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,2,0,0,0,0|0,0,2]=4 183 B7R0.7 CC#CC(=O)OCC E36835 [0,2,0,0,0,0|0,0,2]=4 184 B7R0.7 CCOC(=O)CCBr E39188 [0,2,0,0,0,0|0,0,2]=4 185 B7R0.7 CCOC(=O)CCI E41273 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.7 CCOC(=O)CCO E36682 [0,2,0,0,0,0|0,0,2]=4 187 B7R0.7 CCOC(=O)CNC S69399 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.7 CCOC(=O)CNN E67459 [0,2,0,0,0,0|0,0,2]=4 189 B7R0.7 CCOC(=O)CSC E40386 [0,2,0,0,0,0|0,0,2]=4 190 B7R0.7 CCOC(=O)OCCl C38646 [0,2,0,0,0,0|0,0,2]=4 191 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.7 CCOC(=O)\C=C\I E41181 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,2,0,0,0,0|0,1,1]=4 194 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.4 CC(=O)OCCCBr B41266 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.4 CC(=O)OCCCCl C39190 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,2,0,0,0,0|0,1,0]=3 198 B7R0.6 CC(=O)CCC(C)=O H64912 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.6 CC(=O)CNC(C)=O X41261 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.6 CC(=O)NN=C(C)C A66607 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(=O)NNC(N)=S A39876 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,2,0,0,0,0|2,0,0]=4 204 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,2]=4 205 B5R1.2 O=C1CNC1 A1318 [1,0,0,1,0,0|1,0,1]=4 206 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|1,0,1]=4 207 B5R1.2 O=C1CSC1 T6026 [1,0,0,1,0,0|1,0,1]=4 208 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|2,0,0]=4 209 B5R1.1 C1=COC=N1 X1773 [1,0,0,1,0,0|1,0,0]=3 210 B5R1.1 C1=CSC=N1 T0971 [1,0,0,1,0,0|1,1,0]=4 211 B7R1.1 BrCC1=NC=CN1 B40117 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.1 CCC1=NC=CN1 E68629 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.1 CCC1=NN=CO1 E37555 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.1 CNC1=NC=CS1 M67793 [0,1,0,1,0,0|1,1,0]=4 215 B7R1.1 COC1=CC=CS1 M41123 [0,1,0,1,0,0|1,1,0]=4 216 B7R1.1 COC1=NC=CS1 M2608 [0,1,0,1,0,0|1,1,0]=4 217 B7R1.1 CSC1=NC=CO1 M40164 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.1 ClCC1=NC=CO1 C40107 [0,1,0,1,0,0|1,0,0]=3 219 B7R1.1 N#CC1=CC=CO1 F40652 [0,1,0,1,0,0|1,0,1]=4 220 B7R1.1 NCC1=CC=CN1 P41359 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.1 NCC1=CC=CS1 A12813 [0,1,0,1,0,0|1,1,0]=4 222 B7R1.1 NCC1=CC=NO1 K40323 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.1 NCC1=CN=CO1 X11178 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.1 NCC1=CN=CO1 X17340 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.1 NCC1=NC=CN1 A14237 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.1 NCC1=NC=CN1 K40331 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.1 NCC1=NC=CS1 A11223 [0,1,0,1,0,0|1,1,0]=4 228 B7R1.1 NCC1=NC=CS1 T11224 [0,1,0,1,0,0|1,1,0]=4 229 B7R1.1 NCC1=NC=CS1 T24256 [0,1,0,1,0,0|1,1,0]=4 230 B7R1.1 O=CC1=CC=CN1 P64891 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.1 O=CC1=CC=CS1 T68614 [0,1,0,1,0,0|0,1,1]=4 232 B7R1.1 O=CC1=CC=NO1 K40060 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.1 O=CC1=CN=CO1 X11928 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.1 O=CC1=NC=CN1 F2135 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.1 O=CC1=NC=CS1 T2877 [0,1,0,1,0,0|1,1,0]=4 236 B7R1.1 OCC1=CC=CS1 T12815 [0,1,0,1,0,0|1,1,0]=4 237 B7R1.1 OCC1=CC=NO1 K40159 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.1 OCC1=CN=CO1 X14033 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.1 OCC1=NC=CN1 I38716 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.1 OCC1=NC=CO1 X14019 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.1 OCC1=NC=CS1 H3028 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|0,0,2]=4 244 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,1,0,0|0,0,2]=4 245 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.2 CC1=CC(N)=NO1 A12655 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,1,0,0|1,1,0]=4 251 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,1,0,0|1,1,0]=4 253 B7R1.2 CC1=CN=C(C)S1 D38993 [0,1,0,1,0,0|1,1,0]=4 254 B7R1.2 CC1=CNC(C)=N1 D41187 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 CC1=COC(N)=N1 A2053 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.2 CC1=CSC(C)=N1 D41174 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.2 CC1=NC(Br)=CS1 B2069 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.2 CC1=NC(N)=NO1 M39856 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,1,0,1,0,0|1,1,0]=4 261 B7R1.2 CC1=NC=C(I)N1 K40124 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.2 CC1=NC=C(N)S1 M40189 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.2 CC1=NN=C(C)O1 D13454 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.2 CC1=NN=C(N)O1 M5216 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.2 CC1=NNC(=O)C1 M68628 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.2 CC1=NNC(=O)O1 M39837 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.2 CC1=NNC(=S)O1 M62067 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.2 CC1=NOC(N)=C1 A37936 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.2 IC1=COC(I)=N1 D6541 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.2 NC1=NCC(=O)S1 A64749 [0,1,0,1,0,0|1,1,0]=4 275 B7R1.2 NC1=NNC(=O)C1 A39854 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,1,0,0|0,0,0]=2 280 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,1,0,0|1,0,1]=4 286 B7R1.3 CC1=CC=CN=N1 M0216 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.3 CC1=NC=CC=N1 M68916 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 CC1=NC=CN=C1 M61917 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.3 CC1=NC=CN=N1 M36785 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.3 CC1=NC=NC=C1 M7491 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.3 O=C1C=CC=NN1 P5932 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.3 O=C1C=CCOC1 P26982 [0,1,0,1,0,0|0,0,2]=4 294 B7R1.3 O=C1C=CN=CN1 P0246 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.3 O=C1C=COC=C1 P40862 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.3 O=C1C=NC=CN1 H68630 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.3 O=C1COCCO1 D38663 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.3 O=C1N=CC=CN1 P67458 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,1,0,0|1,1,0]=4 302 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,1,0,0|1,1,0]=4 303 B7R1.4 CC1=C(N)ON=C1 M40180 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.4 CN1C=CN=C1Br B9674 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.4 CN1C=CN=C1Cl C3018 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.4 CN1C=CN=C1I I2903 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.4 CN1C=CN=C1N M40330 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.4 CN1C=CN=C1N M67646 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|0,0,2]=4 314 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|0,0,2]=4 315 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.14 O=S1(=O)C=CCO1 P39851 [0,1,0,1,0,0|2,0,0]=4