0 B5R0.1 BrCC=C(C)C PI-12725 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC#CC(=O)O PI-12861 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(=C)CCBr PI-40493 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(=O)NCO PI-29791 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC=CC(=O)C PI-45740 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.1 CCCC(=O)N PI-32787 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CCCC(C)N PI-36925 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CCCC(C)O PI-42533 [0,0,0,0,0,0|0,0,4]=4 11 B5R0.1 CCC[C@@H](O)C PI-42532 [0,0,0,0,0,0|0,0,4]=4 12 B5R0.1 CCOC(=O)C PI-13192 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CCOC(=S)[S-] PI-47063 [0,0,0,0,0,0|2,1,1]=4 14 B5R0.1 CCO[Si](C)C PI-50089 [0,0,0,0,0,0|2,1,1]=4 15 B5R0.1 CCSC(=O)C PI-48509 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.1 CCSC(=O)Cl PI-38596 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CNCC(=O)O PI-45053 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 COCC(O)C PI-12912 [0,0,0,0,0,0|1,0,3]=4 19 B5R0.1 CSCC(=O)N PI-36555 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C\C=C\C(=O)N PI-50568 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 C\C=C\C(=O)O PI-48966 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 NC(CCC)=N PI-37197 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 NCCC(=O)O PI-14317 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 O=C(O)CCS PI-40342 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 O=S(CSC)C PI-39632 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 OC(CON)=O PI-37190 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 OCCC(=O)O PI-20855 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C(=C(F)Cl)Cl PI-21037 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 C(=C(F)Cl)F PI-20042 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|0,0,3]=4 45 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 C(=O)[N-]C=O PI-42986 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.2 CCCNC PI-39187 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CC#CC(=O)OC PI-48956 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.1 CCCC(=O)NN PI-23070 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CCCC(=O)SC PI-48512 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.1 CCOC(=O)C#C PI-35147 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.1 CCOC(=O)NC PI-50343 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.1 CNCC(=O)OC PI-45586 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.1 COC(=O)CCN PI-31148 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 COCC(=O)NN PI-50354 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 NNC(OCC)=O PI-28515 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 O=C(OC)CCO PI-41038 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,1,0,0,0,0|0,0,0]=1 68 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,1,0,0,0,0|1,1,0]=3 71 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.2 CC(CC(=O)O)N PI-35438 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.2 CC(CC(=O)O)N PI-35481 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.2 CC(CC(=O)O)N PI-43821 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.2 CC(CC(=O)O)O PI-47070 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.2 CN(C)CC(=O)O PI-15416 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,1,0,0,0,0|0,0,0]=1 84 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|0,0,2]=3 93 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 COC(=O)C(=C)F PI-39526 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 CC(NCCS)=O PI-37034 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.4 CC=NNC(=O)N PI-26775 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.4 CCCNC(=O)N PI-19783 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.4 CCNCC(=O)O PI-43211 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.4 CSCCC(=O)O PI-31992 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,0,0,0,0|0,0,2]=3 117 B6R0.4 NCCCC(=O)O PI-35917 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.4 O=C(O)CCCBr PI-40017 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.4 O=C(O)CCCCl PI-41227 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.4 O=C\C=C/N(C)C PI-12739 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.4 OCCCC(=O)C PI-13555 [0,1,0,0,0,0|0,0,2]=3 122 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.5 Br\C=C\[Si](C)(C)C PI-36765 [0,1,0,0,0,0|2,1,0]=4 124 B6R0.5 C[Si](C)(C)C=CI PI-44154 [0,1,0,0,0,0|2,1,0]=4 125 B6R1.2 Brc1ccco1 PI-14449 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.2 Brc1cccs1 PI-11144 [0,0,0,1,0,0|1,1,1]=4 127 B6R1.2 Brc1cscc1 PI-10760 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 C1=C(NN=C1)N PI-10514 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 C1=C(ON=C1)N PI-34865 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 C1=CNC=C1F PI-49258 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 C1=CSC=C1F PI-49323 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,1,0,0|1,0,1]=3 134 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|1,0,0]=2 135 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,1,0,0|0,1,1]=3 136 B6R1.2 CC1=CN=CN1 PI-44758 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.2 Cc1cncs1 PI-33497 [0,0,0,1,0,0|1,1,1]=4 141 B6R1.2 Cc1nc[nH]n1 PI-40309 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 Cc1nccs1 PI-11132 [0,0,0,1,0,0|1,1,1]=4 143 B6R1.2 ClC1=CSC=C1 PI-11160 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 Cn1cccn1 PI-37584 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 Cn1cncc1 PI-31809 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.2 Ic1cc[nH]n1 PI-39060 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 Ic1cccs1 PI-11145 [0,0,0,1,0,0|1,1,1]=4 148 B6R1.2 NC1=NOC=C1 PI-13009 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,1,0,0|0,0,2]=3 150 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,1,0,0|1,0,1]=3 151 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 O=c1occo1 PI-15331 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 Sc1cccs1 PI-27908 [0,0,0,1,0,0|1,1,1]=4 154 B6R1.5 C1C(CC1=O)N PI-48953 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.11 C1CC1C(=O)N PI-30796 [0,0,0,1,0,0|1,0,2]=4 157 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,0,1,0,0|0,0,2]=3 158 B3R0.1 C(=CBr)Br PI-47053 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 C(=CCl)F PI-20089 [2,0,0,0,0,0|2,0,0]=4 160 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,1]=3 161 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 163 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 164 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.2 C=C(F)Br PI-14442 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|1,0,0]=3 168 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,1,0]=4 170 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,2]=4 171 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|1,0,0]=3 175 B5R0.3 C(C(=O)NN)O PI-50333 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.3 C(C(=O)NN)S PI-50542 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|0,0,1]=3 180 B5R0.3 CCC(=O)NN PI-50290 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 CNC(=O)CCl PI-39443 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.3 COC(=O)C#C PI-35828 [1,1,0,0,0,0|0,0,2]=4 183 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.4 C=C[Si](C)(C)C PI-35331 [1,1,0,0,0,0|1,1,0]=4 185 B5R0.4 CSS(=O)(=O)C PI-24302 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [1,1,0,0,0,0|1,1,0]=4 187 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|0,0,0]=2 188 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|0,0,1]=3 193 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|0,0,1]=3 194 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.5 OC(=O)C(=O)C PI-15477 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.2 C(=O)NNC=O PI-50265 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.2 C(C=CCCl)Cl PI-40200 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.2 CCO\C=C\C PI-12734 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|0,0,2]=4 213 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|0,0,2]=4 214 B5R0.2 O=CCCC=O PI-14232 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,2,0,0,0,0|0,0,0]=2 217 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.2 CC(=O)OC(=C)C#N PI-26544 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.2 COC(=O)CC(C)N PI-42155 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,2,0,0,0,0|0,0,2]=4 227 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.3 C=CCNC(=O)CCl PI-15657 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.3 COC(=O)CCC=O PI-48276 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.3 COC(=O)CCCBr PI-44980 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.3 COC(=O)CCCN PI-42165 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.3 COC(=O)CCSC PI-45979 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.3 COC(=O)CNC=O PI-33232 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,2,0,0,0,0|0,0,0]=2 236 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,2,0,0,0,0|0,0,0]=2 237 B7R0.3 O=C(OC)CCNC PI-40057 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,2,0,0,0,0|0,0,1]=3 248 B7R0.7 CCCC(=O)OCCl PI-36667 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.7 CCOC(=O)C#CC PI-22064 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.7 CCOC(=O)COC PI-50353 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.7 CCOC(=O)CSC PI-39857 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.7 CNCC(=O)OCC PI-30682 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.7 NCCC(=O)OCC PI-33213 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.7 OCCC(=O)OCC PI-39562 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.10 C(C(=O)C(=O)CBr)Br PI-40020 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,2,0,0,0,0|0,0,2]=4 260 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,2,0,0,0,0|0,0,2]=4 261 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,2,0,0,0,0|1,1,0]=4 269 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,2,0,0,0,0|1,1,0]=4 271 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] PI-18865 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.4 CC(=O)CCCCCl PI-28023 [0,2,0,0,0,0|0,0,2]=4 275 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,2,0,0,0,0|1,0,0]=3 277 B7R0.4 COCCOC(=O)C PI-12910 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,2,0,0,0,0|0,0,1]=3 279 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,2,0,0,0,0|0,0,1]=3 280 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,2,0,0,0,0|0,0,1]=3 281 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,2,0,0,0,0|0,0,1]=3 282 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.6 CC(=O)NNC(=S)N PI-30346 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.6 CN(C)C=C[N+](=O)[O-] PI-21936 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.8 C[Si](C)(C)C=CCO PI-35176 [0,2,0,0,0,0|1,1,0]=4 290 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,1]=4 291 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,1]=3 292 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|1,0,1]=4 293 B5R1.1 C1=CSC=C1 PI-45119 [1,0,0,1,0,0|0,1,1]=4 294 B5R1.1 C1=CSN=C1 PI-41498 [1,0,0,1,0,0|1,1,0]=4 295 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|1,0,1]=4 296 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|1,0,1]=4 297 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.1 O1N=CC=C1 PI-37186 [1,0,0,1,0,0|1,0,1]=4 299 B5R1.1 c1ccn[nH]1 PI-12159 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.1 BrCc1cscc1 PI-14311 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.1 C1=CNC=C1C=O PI-34088 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.1 C1=COC(=C1)CS PI-48474 [0,1,0,1,0,0|0,0,2]=4 303 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,1,0,1,0,0|0,1,1]=4 305 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,1,0,1,0,0|0,1,1]=4 306 B7R1.1 C1=CSC=C1CN PI-31789 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 CCC1=CC=CS1 PI-10993 [0,1,0,1,0,0|0,1,1]=4 308 B7R1.1 CCC1=CSC=C1 PI-35073 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 COc1cccs1 PI-33573 [0,1,0,1,0,0|0,1,1]=4 310 B7R1.1 COc1cscc1 PI-27269 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 CSC1=CSC=C1 PI-29322 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.1 NCc1cccs1 PI-11152 [0,1,0,1,0,0|0,1,1]=4 313 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,1,0,0|0,0,1]=3 314 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.1 O=Cc1cscc1 PI-10763 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.1 OCc1cscc1 PI-29874 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.2 Brc1c[nH]c(n1)C PI-14475 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.2 C1=C(NNC1=O)N PI-30770 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,1,0,0|0,0,0]=2 325 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,1,0,1,0,0|0,1,1]=4 328 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,1,0,1,0,0|0,0,1]=3 329 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,1,0,1,0,0|0,0,1]=3 331 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,1,0,1,0,0|0,1,1]=4 332 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,1,0,0|0,1,0]=3 333 B7R1.2 CC1=CN=C(S1)Br PI-45050 [0,1,0,1,0,0|1,1,0]=4 334 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,1,0,1,0,0|0,1,0]=3 335 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [0,1,0,1,0,0|1,1,0]=4 336 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,1,0,1,0,0|1,0,0]=3 337 B7R1.2 CC1=CSC(=N1)Br PI-40542 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,1,0,1,0,0|1,0,0]=3 339 B7R1.2 CC1=CSC(=S)N1 PI-30630 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.2 CC1=CSC(Cl)=N1 PI-40543 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.2 CC1=NC=C(N1)I PI-45234 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.2 CC1=NC=C(S1)Br PI-44984 [0,1,0,1,0,0|1,1,0]=4 343 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,1,0,1,0,0|0,1,1]=4 354 B7R1.2 Cc1ccn(n1)C PI-37587 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.2 Cc1cnc(s1)N PI-31294 [0,1,0,1,0,0|1,1,0]=4 356 B7R1.2 Cc1csc(n1)N PI-31078 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.2 Cc1noc(c1)N PI-30153 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.2 Cc1nsc(N)c1 PI-25640 [0,1,0,1,0,0|1,1,0]=4 359 B7R1.2 Cc1scc(c1)C PI-29816 [0,1,0,1,0,0|0,1,0]=3 360 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.2 Cn1ccc(I)n1 PI-37412 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.2 Cn1ccc(n1)Br PI-38258 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.2 Cn1ccc(n1)N PI-38170 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.2 NC1=NC=C(C)N1 PI-40524 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.2 Nc1noc(c1)C PI-33190 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [0,1,0,1,0,0|0,0,2]=4 377 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [0,1,0,1,0,0|0,0,2]=4 378 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,1,0,1,0,0|0,0,2]=4 379 B7R1.3 C1=CN=CNC1=O PI-21341 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.3 C1=CN=CNC1=O PI-45002 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.3 C1=COC=CC1=O PI-43972 [0,1,0,1,0,0|0,0,2]=4 384 B7R1.3 C1CC(=O)COC1 PI-39263 [0,1,0,1,0,0|0,0,2]=4 385 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,1,0,1,0,0|0,0,2]=4 387 B7R1.3 C1CNCCC1=O PI-43209 [0,1,0,1,0,0|0,0,2]=4 388 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,1,0,0|0,0,0]=2 389 B7R1.3 C1COCCC1=O PI-47224 [0,1,0,1,0,0|0,0,2]=4 390 B7R1.3 CC1=CC=CC=N1 PI-38534 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.3 CC1=NC=CN=C1 PI-48495 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.3 Cc1ncccn1 PI-35192 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.3 O=C1C=CC=NN1 PI-40006 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.3 O=C1C=CNC=C1 PI-33984 [0,1,0,1,0,0|0,0,2]=4 399 B7R1.3 O=C1CCCCO1 PI-37295 [0,1,0,1,0,0|0,0,2]=4 400 B7R1.3 O=C1CCCNC1 PI-35479 [0,1,0,1,0,0|0,0,2]=4 401 B7R1.3 O=C1CCNCC1 PI-12489 [0,1,0,1,0,0|0,0,2]=4 402 B7R1.3 O=C1CCNCC1 PI-37237 [0,1,0,1,0,0|0,0,2]=4 403 B7R1.3 O=C1CCOCC1 PI-13776 [0,1,0,1,0,0|0,0,2]=4 404 B7R1.3 O=C1CCSCC1 PI-40196 [0,1,0,1,0,0|0,0,2]=4 405 B7R1.3 O=C1COCCN1 PI-38277 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.3 O=C1COCCO1 PI-44056 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.3 O=C1NCCNC1 PI-31800 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.4 Brc1cscc1C PI-39112 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.4 CC1=CNN=C1C PI-41141 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.4 CC1=CSC=C1C PI-35053 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.4 CC1=NNC=C1Br PI-13601 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.4 CC1=NNC=C1I PI-33035 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.4 Cc1ccsc1Br PI-10990 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.4 Cn1nccc1C PI-37575 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.4 Cn1nccc1N PI-28081 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.4 Cn1nccc1O PI-37212 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.4 Cn1sccc1=O PI-11861 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,1,0,1,0,0|0,0,2]=4 434 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|0,0,2]=4 435 B7R1.22 COC(=O)C1CC1 PI-32774 [0,1,0,1,0,0|0,0,2]=4 436 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|1,0,1]=4