0 B5R0.2 C#CCCC#N SC-87889 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C#CCCCCl SC-46678 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C#CCCCI SC-A2786 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.2 C#CCCCN SC-48603 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.2 C#CCCCN SC-99931 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.2 C=CCCCBr SC-47340 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.2 C=CCCCN SC-28944 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.2 C=CCCCO SC-78424 [0,0,0,0,0,0|0,0,2]=2 8 B5R0.2 C=CCN=C=O SC-43729 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.2 C=CCSSC SC-87236 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 C=COCCO SC-22660 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 CC#CCC=O SC-89818 [0,0,0,0,0,0|0,0,3]=3 12 B5R0.2 CCCCNN SC-68008 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 CNCCC#N SC-15494 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.2 CNCCCO SC-94106 [0,0,0,0,0,0|1,0,3]=4 15 B5R0.2 CNCCNC SC-19090 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 CNCCOC SC-15056 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 CNCCSC SC-74374 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 CNCCSC SC-83575 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.2 COCCC=O SC-85357 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.2 COCCCBr SC-20920 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 COCCNN SC-53129 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 COCCNN SC-70814 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 ClCCCCBr SC-17538 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.2 FCCCCBr SC-43880 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.2 ICCCCI SC-69402 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.2 N#CCCCBr SC-20060 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.2 N#CCCCCl SC-16423 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.2 N#CCCNN SC-52269 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.2 NCCCCCl SC-14246 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.2 NCCCCN SC-20919 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.2 NCCCCO SC-48186 [0,0,0,0,0,0|1,0,3]=4 32 B5R0.2 O=C=NCCBr SC-82407 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.2 O=C=NCCCl SC-13627 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.2 O=CCCC=O SC-13455 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.2 O=CCCCBr SC-69595 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.2 OCCCCBr SC-12645 [0,0,0,0,0,0|1,0,3]=4 37 B5R0.2 OCCCCCl SC-23109 [0,0,0,0,0,0|1,0,3]=4 38 B4R0.2 BrCCCBr SC-79111 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 C#CCCBr SC-52138 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 C#CCCN SC-49547 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.2 C#CCCO SC-17773 [1,0,0,0,0,0|0,0,3]=4 42 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|0,0,1]=2 46 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 C=CCON SC-96333 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 CCN=C=O SC-11793 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 CNCCBr SC-98001 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 COCCCl SC-05903 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 COCCN SC-22236 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 CSCCCl SC-53991 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 CSCCN SC-28443 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 CSCCN SC-83550 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 CSCCO SC-19276 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|0,0,3]=4 60 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|0,0,3]=4 62 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|0,0,3]=4 63 B4R0.2 ClCCCI SC-73683 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 Cl\C=C\CCl SC-17396 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 FCCCBr SC-49851 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 FCCCI SC-84350 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 ICCCI SC-89448 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 N#CCCBr SC-46247 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 NCCCBr SC-39593 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 NCCCBr SC-48386 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 NCCCCl SC-15218 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 NCCCO SC-16407 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 NCCCS SC-52748 [1,0,0,0,0,0|1,1,1]=4 74 B4R0.2 NNCCO SC-15469 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 NOCCO SC-41192 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.2 O=C[N-]C=O SC-93635 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 OCCCBr SC-13514 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 OCCCCl SC-15525 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.2 OCCCF SC-24862 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 OCCCI SC-65803 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 OCCCO SC-25736 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 SCCCS SC-17571 [1,0,0,0,0,0|1,1,1]=4 85 B6R0.1 C=CCC(=O)OC SC-48829 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 COC(=O)CC=O SC-53143 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.4 C=C(C)CNCC SC-47240 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 C=CCCC(=O)O SC-25836 [0,1,0,0,0,0|0,0,0]=1 90 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.4 C=CNCC(=O)O SC-20808 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.4 CC(=O)CCCBr SC-91341 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.4 CC(=O)NCCN SC-19651 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 CCCCC(=O)Cl SC-46867 [0,1,0,0,0,0|0,0,2]=3 95 B6R0.4 CN(C)CCC=O SC-12823 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.4 CNCCC(=O)O SC-27492 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.4 CNCCC(=O)O SC-52914 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.4 COCCC(=O)O SC-50255 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.4 CSCCC(=O)O SC-96567 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.4 NCCCC(=O)O SC-10045 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.4 O=C(O)CCCCl SC-89723 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.6 C=CCCCCBr SC-27023 [0,1,0,0,0,0|1,0,1]=3 104 B6R0.6 C=COCCON SC-93636 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.6 CCCCON=O SC-70750 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.6 CCC\C=C\C=O SC-25240 [0,1,0,0,0,0|0,0,3]=4 107 B6R0.6 COCCN=C=O SC-72245 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.6 C\C=C\CCCO SC-48265 [0,1,0,0,0,0|0,0,2]=3 109 B6R0.6 O=CCCCCCl SC-A3300 [0,1,0,0,0,0|0,0,2]=3 110 B6R1.1 C1=CC=NC=C1 SC-15293 [0,0,0,1,0,0|1,0,2]=4 111 B6R1.1 C1=CC=NC=C1 SC-26943 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.1 C1=CC=NC=C1 SC-90173 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.1 C1=CC=NN=C1 SC-20940 [0,0,0,1,0,0|3,0,0]=4 114 B6R1.1 C1=CC=[NH+]C=C1 SC-16400 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.1 C1=CCCC=C1 SC-50457 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.1 C1=CCNCC1 SC-83515 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.1 C1=COCCC1 SC-00342 [0,0,0,1,0,0|0,0,2]=3 118 B6R1.2 BrC1=CC=CO1 SC-46529 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 BrC1=COC=C1 SC-02537 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 BrC1=CSC=C1 SC-07078 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.2 BrC1=NNC=C1 SC-25384 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 BrC1=NSC=C1 SC-53924 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.2 CC1=CC=CN1 SC-88412 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 CC1=CC=NO1 SC-47380 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,1,0,0|1,0,1]=3 126 B6R1.2 CC1=CCCO1 SC-69814 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 CC1=NCCC1 SC-07079 [0,0,0,1,0,0|1,0,2]=4 128 B6R1.2 CC1=NSC=C1 SC-89582 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 ClC1=CC=NN1 SC-48488 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 ClC1=CSC=C1 SC-45954 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 IC1=CC=CO1 SC-99803 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 IC1=CC=CS1 SC-46627 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 NC1=CC=CN1 SC-20942 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 NC1=CC=CO1 SC-21679 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 NC1=CC=CS1 SC-21886 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 NC1=CC=NN1 SC-69238 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 NC1=CC=NO1 SC-66242 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 NC1=CC=NS1 SC-15519 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 NC1=CC=NS1 SC-A3255 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 NC1=COC=C1 SC-21680 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 NC1=CSC=C1 SC-21719 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 NC1=CSC=C1 SC-21738 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 NC1=CSC=C1 SC-95491 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 NC1=NCCC1 SC-68430 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 NC1=NNC=C1 SC-17957 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.2 NC1=NOC=C1 SC-01736 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 O=C1C=CCC1 SC-07348 [0,0,0,1,0,0|0,0,0]=1 148 B6R1.2 O=C1C=CCN1 SC-67116 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.2 O=C1C=CCO1 SC-50260 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.2 O=C1C=CSN1 SC-14961 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 O=C1CC=NN1 SC-89969 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 O=C1CCCN1 SC-85210 [0,0,0,1,0,0|1,0,1]=3 153 B6R1.2 O=C1CCNC1 SC-24328 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.2 O=C1CCNC1 SC-50749 [0,0,0,1,0,0|1,0,1]=3 155 B6R1.2 O=C1CCNN1 SC-21405 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 O=C1CCOC1 SC-21867 [0,0,0,1,0,0|1,0,1]=3 157 B6R1.2 O=C1N=CNN1 SC-15326 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.2 O=C1NCCO1 SC-04833 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.2 O=C1NCCS1 SC-27050 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 O=C1OC=CO1 SC-15988 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 OC1=CC=NN1 SC-88403 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 OC1=NNCC1 SC-23225 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 SC1=CC=CS1 SC-06762 [0,0,0,1,0,0|1,1,1]=4 164 B6R1.2 SC1=CSC=C1 SC-48067 [0,0,0,1,0,0|1,1,1]=4 165 B6R1.6 O=CC1CCC1 SC-14218 [0,0,0,1,0,0|0,0,2]=3 166 B6R1.6 O=CC1COC1 SC-65750 [0,0,0,1,0,0|1,0,1]=3 167 B3R0.1 Br\C=C\Br SC-73800 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|0,0,1]=3 170 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.1 ClCCBr SC-16459 [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 ClCCI SC-93145 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.1 FCCBr SC-16577 [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 NCCBr SC-11569 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 NCCCl SC-15450 [2,0,0,0,0,0|2,0,0]=4 181 B3R0.1 NCCCl SC-40145 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 NCCF SC-66629 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 NCCF SC-89351 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,1]=4 186 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|1,0,1]=4 189 B3R0.1 SCCS SC-27058 [2,0,0,0,0,0|1,1,0]=4 190 B5R0.1 C#CCC(=O)O SC-40344 [1,1,0,0,0,0|0,0,2]=4 191 B5R0.1 C=C(C)CCBr SC-26305 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.1 C=C(C)OCC SC-18086 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 C=CCC(=O)O SC-49093 [1,1,0,0,0,0|0,0,0]=2 194 B5R0.1 C=COC(C)=O SC-79059 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 CC(=O)CC#N SC-26510 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 CC(=O)CCCl SC-21586 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CC(=O)CCO SC-65678 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.1 CC(=O)OCBr SC-44237 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CC(C)=CC=O SC-00290 [1,1,0,0,0,0|0,0,2]=4 200 B5R0.1 CCCC(=N)N SC-19347 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.1 CCCC(=O)Cl SC-18924 [1,1,0,0,0,0|0,0,1]=3 202 B5R0.1 CCCC(=O)[O-] SC-15718 [1,1,0,0,0,0|0,0,1]=3 203 B5R0.1 CCCC(N)=O SC-46377 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.1 CCOC(N)=O SC-16133 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 CN(C)CC=O SC-51643 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 CNCC(=O)O SC-10425 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.1 CNCC(N)=O SC-10429 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 COCC(=O)Cl SC-27381 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 CS(=O)CCN SC-89327 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.1 C\C=C/C(=O)O SC-25924 [1,1,0,0,0,0|0,0,2]=4 211 B5R0.1 C\C=C/C(C)=O SC-48085 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,1,0,0,0,0|0,0,2]=4 213 B5R0.1 N#CCC(=O)O SC-18648 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 N#CCC(N)=O SC-26759 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.1 NCCC(=O)O SC-10014 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.1 NCCC(N)=O SC-48688 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.1 NCCC(N)=O SC-84499 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.1 O=C(Cl)CCCl SC-16310 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 O=C(O)CCBr SC-18441 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.1 O=C(O)CCS SC-22642 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.3 C=CC(O)C=C SC-20854 [1,1,0,0,0,0|0,0,1]=3 223 B5R0.3 C=CC(O)CC SC-93539 [1,1,0,0,0,0|0,0,1]=3 224 B5R0.3 C=C[C@H](N)CO SC-88199 [1,1,0,0,0,0|0,0,1]=3 225 B5R0.3 O=CC(Br)C=O SC-24696 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.3 O=CC(Cl)C=O SC-43728 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.3 O=CC(O)CO SC-04830 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.3 C#CCCC(=O)OC SC-92252 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.3 C=CCOC(=O)C=C SC-19356 [0,2,0,0,0,0|1,0,0]=3 235 B7R0.3 C=CCOC(=O)CCl SC-95960 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.3 C=CCOC(=O)OC SC-82329 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.3 COC(=O)CCC=O SC-47529 [0,2,0,0,0,0|0,0,1]=3 238 B7R0.3 COC(=O)CCCCl SC-15079 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.3 COCCC(=O)OC SC-46379 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,2,0,0,0,0|0,0,0]=2 243 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|0,0,0]=2 244 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|0,0,0]=2 245 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|0,0,0]=2 246 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|0,0,0]=2 247 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.7 C=CCN(C)CC=C SC-17613 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.10 O=CC(O)C(O)C=O SC-74089 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.4 C#CCCCC(=O)O SC-73017 [0,2,0,0,0,0|0,0,2]=4 263 B7R0.4 C#CCNCC(=O)O SC-10418 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.4 C#CCNCC(=O)O SC-10419 [0,2,0,0,0,0|0,0,2]=4 265 B7R0.4 C#CCNCC(=O)O SC-65650 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.4 C=CCCC[N+](=O)[O-] SC-89901 [0,2,0,0,0,0|0,0,1]=3 267 B7R0.4 C=CCNCC(=O)O SC-74362 [0,2,0,0,0,0|0,0,0]=2 268 B7R0.4 C=CCOCC(=O)O SC-49027 [0,2,0,0,0,0|0,0,0]=2 269 B7R0.4 CCCNCC(=O)O SC-97541 [0,2,0,0,0,0|0,0,2]=4 270 B7R0.4 CCCSCC(=O)O SC-45283 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.4 CNCCCC(=O)O SC-49793 [0,2,0,0,0,0|0,0,2]=4 272 B7R0.4 CNCCCC(=O)O SC-A2900 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.4 COCCCC(=O)O SC-51378 [0,2,0,0,0,0|0,0,2]=4 274 B7R0.4 COCCNC(N)=O SC-62189 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,2,0,0,0,0|0,0,0]=2 276 B7R0.4 NC(=O)CCCCBr SC-98143 [0,2,0,0,0,0|0,0,2]=4 277 B7R0.4 NCCCCC(=O)O SC-10120 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.4 NCCCCC(=O)O SC-92391 [0,2,0,0,0,0|0,0,2]=4 279 B7R0.4 NCCCCC(N)=O SC-94858 [0,2,0,0,0,0|0,0,2]=4 280 B7R0.4 NCCCCC(N)=O SC-A4262 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.4 NCCNCC(=O)O SC-21750 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,2,0,0,0,0|0,0,2]=4 283 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,2,0,0,0,0|0,0,2]=4 284 B7R0.4 O=C(O)CCCCBr SC-02338 [0,2,0,0,0,0|0,0,2]=4 285 B7R0.4 O=C([O-])COCCO SC-A2671 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,2,0,0,0,0|0,0,2]=4 287 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,2,0,0,0,0|0,0,2]=4 288 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.8 C=CCOS(C)(=O)=O SC-A2399 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.8 O=CCCC(F)(F)F SC-50907 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.1 C=CCCCCCBr SC-44229 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.1 C=CCSSCC=C SC-77190 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.1 COCCOCC=O SC-99722 [0,2,0,0,0,0|0,0,2]=4 298 B7R0.1 O=CCCCCCO SC-94633 [0,2,0,0,0,0|0,0,2]=4 299 B5R1.1 C1=CCC=C1 SC-76630 [1,0,0,1,0,0|0,0,1]=3 300 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,1,0,0|0,0,1]=3 301 B5R1.1 C1=CCOC1 SC-47076 [1,0,0,1,0,0|1,0,1]=4 302 B5R1.1 C1=CNC=C1 SC-16214 [1,0,0,1,0,0|1,0,1]=4 303 B5R1.1 C1=CNC=N1 SC-18719 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|1,0,0]=3 305 B5R1.1 C1=CNN=C1 SC-15930 [1,0,0,1,0,0|2,0,0]=4 306 B5R1.1 C1=CON=C1 SC-03143 [1,0,0,1,0,0|2,0,0]=4 307 B5R1.1 C1=CSC=N1 SC-27052 [1,0,0,1,0,0|1,1,0]=4 308 B5R1.1 C1=CSN=C1 SC-45492 [1,0,0,1,0,0|2,0,0]=4 309 B5R1.1 [C-]1=CC=CC1 SC-15776 [1,0,0,1,0,0|0,0,1]=3 310 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|0,0,1]=3 311 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,0]=3 312 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|1,0,1]=4 313 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|1,0,1]=4 314 B5R1.3 C=CC1CO1 SC-72377 [1,0,0,1,0,0|0,0,1]=3 315 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|0,0,1]=3 316 B7R1.1 O=CC1=CC=CN1 SC-00019 [0,1,0,1,0,0|0,0,2]=4 317 B7R1.1 O=CC1=CC=CN1 SC-29059 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.1 O=CC1=CC=NN1 SC-21602 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.1 O=CC1=CC=NN1 SC-87756 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.1 O=CC1=CC=NO1 SC-26223 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.1 O=CC1=CN=CO1 SC-91872 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.1 O=CC1=CN=CS1 SC-27599 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.1 O=CC1=CNC=C1 SC-12905 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.1 O=CC1=CNC=N1 SC-03279 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.1 O=CC1=COC=C1 SC-04839 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.1 O=CC1=CSC=C1 SC-04841 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.1 O=CC1=CSC=N1 SC-20786 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 O=CC1=NC=CN1 SC-00069 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 O=CC1=NC=CO1 SC-14503 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.1 O=CC1=NC=CS1 SC-00095 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.1 O=CC1=NOC=C1 SC-83871 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.1 O=CC1CCCC1 SC-21778 [0,1,0,1,0,0|0,0,2]=4 333 B7R1.1 O=CC1CCCC1 SC-44728 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.1 O=CC1CCNC1 SC-85271 [0,1,0,1,0,0|0,0,2]=4 335 B7R1.1 OCC1C=CCN1 SC-92889 [0,1,0,1,0,0|0,0,2]=4 336 B7R1.1 OCC1CC=CC1 SC-45771 [0,1,0,1,0,0|0,0,2]=4 337 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,1,0,0|0,0,0]=2 338 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,1,0,1,0,0|1,0,0]=3 339 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|0,0,2]=4 340 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.2 CN1C=CC(=O)N1 SC-98976 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.2 N=C1NC(=O)CS1 SC-69631 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.2 NC1COC(=O)C1 SC-34183 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.2 O=C1C=C(O)CO1 SC-21646 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.2 O=C1C=CC(=O)N1 SC-15117 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,1,0,1,0,0|0,0,1]=3 352 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.2 O=C1COC(=O)N1 SC-49693 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.2 O=C1CSC(=O)N1 SC-17499 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.3 BrC1=CCCCC1 SC-69986 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.3 C=C1CCNCC1 SC-88353 [0,1,0,1,0,0|1,0,1]=4 363 B7R1.3 CC1=CCCCC1 SC-99243 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.3 CC1=CCCNC1 SC-82898 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.3 CC1=CCNCC1 SC-B8899 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.3 O=C1C=CC=NN1 SC-04871 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.3 O=C1C=CCCN1 SC-25185 [0,1,0,1,0,0|0,0,0]=2 368 B7R1.3 O=C1C=CCCO1 SC-50374 [0,1,0,1,0,0|0,0,0]=2 369 B7R1.3 O=C1CCCCN1 SC-16274 [0,1,0,1,0,0|0,0,2]=4 370 B7R1.3 O=C1CCCCO1 SC-65111 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.3 O=C1CCCNC1 SC-29391 [0,1,0,1,0,0|0,0,2]=4 372 B7R1.3 O=C1CCCNC1 SC-48015 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.3 O=C1CCCOC1 SC-14944 [0,1,0,1,0,0|0,0,2]=4 374 B7R1.3 O=C1CCNCC1 SC-04236 [0,1,0,1,0,0|0,0,2]=4 375 B7R1.3 O=C1CCNCC1 SC-04379 [0,1,0,1,0,0|0,0,2]=4 376 B7R1.3 O=C1CCNCC1 SC-19352 [0,1,0,1,0,0|0,0,2]=4 377 B7R1.3 O=C1CCOCC1 SC-03251 [0,1,0,1,0,0|0,0,2]=4 378 B7R1.3 O=C1CCSCC1 SC-19697 [0,1,0,1,0,0|0,0,2]=4 379 B7R1.3 O=C1CNCCN1 SC-05365 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.3 O=C1CNCCO1 SC-84883 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.3 O=C1COCCN1 SC-24222 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.3 O=C1CSCCN1 SC-28581 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.3 O=C1N=CC=CN1 SC-14287 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.3 OC1=CN=NCC1 SC-89630 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.3 OC1CC=CCC1 SC-87372 [0,1,0,1,0,0|0,0,2]=4 386 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|0,0,0]=2 387 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,1,0,0|0,0,0]=2 388 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|0,0,2]=4 389 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|0,0,2]=4 390 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.4 CN1CCNC1=O SC-89793 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|1,0,1]=4 399 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|0,0,2]=4 401 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.10 C=C1CC(C#N)C1 SC-47516 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.7 C=CCCC1CO1 SC-99784 [0,1,0,1,0,0|0,0,2]=4 407 B7R1.12 O=C(O)C1CC1F SC-85228 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.14 CP1(=O)C=CCO1 SC-93562 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.14 O=S1(=O)C=CCO1 SC-86633 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|0,0,2]=4 414 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|0,0,2]=4 416 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|0,0,2]=4 417 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|1,0,1]=4 418 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,1,0,1,0,0|0,0,2]=4 420 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,1,0,1,0,0|0,0,2]=4