0 B6R0.6 C#CCCCCC 75208 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCCl 79326 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCNCC#C AB7102 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C#CCNCC=C 68273 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCOCCN AT12489 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C=CCCCCC D90784 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=CCSCCC F13976 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 CCC#CCCBr D86950 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 CCCCCC#N D90798 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 CCCCCCN D91063 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 CCCCCC[Mg+] D78455 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 CCCCCNN AC4196 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CCCCCSC D88262 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 CCCCOCC D88684 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.6 CCCOCCC D91968 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 CCCOCCN D88415 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 CCCSCCC D91969 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 CCCSCCO D92003 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 CCC\C=C/CO D90941 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 CC\C=C\CCC D90967 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C\C=C/CCCO D90944 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 C\C=C\CCCO D71247 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 ClCCCCCCl D89643 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 N#CCCCCO D77640 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 NCCCCCN 24563 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 NCCSCCN AT25574 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 SCCOCCS AT13657 [0,0,0,0,0,0|1,2,0]=3 27 B5R0.2 C=CCOCC D88369 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 CC#CCCC D90866 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 CC#CCCO D92016 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.2 CCC#CCC D90867 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CCC#CCCl T72112 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CCCCC#N 28441 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 CCCCCI D91072 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 CCCCOC D91343 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 CCCCSC T71148 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CCCC[NH2+]C D91287 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.2 CCCOCC D90426 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CCCSCC H10827 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 CCCSSC D91531 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 CCC\C=N/O D88680 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CCOCCBr D95434 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCOCC[NH3+] D90462 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CC[Se][Se]CC T71152 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.2 CC\C=C/CC D90855 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CC\C=C/CO 23141 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 CC\C=C\CC D82999 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 C\C=C\CCC D90853 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 N#CCCCO D77639 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.2 SCCCCS D88698 [1,0,0,0,0,0|0,2,0]=3 50 B7R0.1 C#CCCCCCC F10502 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.1 C#CCNCCOC AT20722 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.1 C=CCCCCCC D91846 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.1 CCCC#CCCC D91807 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.1 CCCC#CCCO D90878 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.1 CCCCC#CCO D90877 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 CCCCCCC#N D90969 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.1 CCCCCCCC A10542 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.1 CCCCCCCN F17097 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.1 CCCCCCOC D90977 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.1 CCCCNCCN A10255 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.1 CCCCSCCO T71016 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.1 CCCC\C=C\CO D90932 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.1 CCCNCCOC D91418 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.1 CCCOCCCN D92070 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.1 CCC\C=C/CCC D91812 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.1 CCC\C=C\CCC D91813 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.1 CCNCCCCO D90525 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.1 CC\C=C/CCCO D90956 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.1 CNCCCCOC AT13062 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.1 NCCSSCCN D97659 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.3 CCC(=O)NCCO D90897 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.3 CCCC[C@@H](Br)CC D88770 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.3 CCCC[C@@H](C)CC D91318 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.3 CCCNC(=O)CCl D95642 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.3 CCCN[C@@H](C)CC D88748 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.3 CC[C@H](C)CCCO T71938 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 COC(=O)NCCO AT13704 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.3 CSCC[C@H](N)CO A10464 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.3 CSCC[C@H](N)CO F11073 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.4 CC(C)CSCCO D91112 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.4 CCC#CC[C@H](C)O D90879 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.4 CCCCCC(C)C D91346 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.4 CCCCC[C@H](C)Cl D89310 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.4 CCCCC[C@H](C)N E70476 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.4 CCCCC[C@H](C)O D97162 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.4 CN(C)CCCCO O11091 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.4 NCCCCC(=O)O T70410 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.4 O=C(O)CCCCO C72352 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.4 OCCOCC(F)F AT25469 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.7 C#CCN(C)CCO W16073 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.7 CCCC(C)CCC D91347 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.7 O=C(CCO)CCO 20750 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.1 CCC1=NCCN1 D90467 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 NC[C@H]1CCCO1 S10918 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.1 OC[C@H]1CCCN1 11149 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.3 C[C@H]1CCOCO1 D91290 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.3 FC1CCCCC1 H10408 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.3 F[C@H]1CCCNC1 P18988 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.3 NC1CCCCC1 D89563 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 N[C@H]1CCCNC1 C13585 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.4 N[C@@H]1COC[C@@H]1N P15642 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 O[C@H]1CCC[C@@H]1O F52991 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.4 O[C@H]1COC[C@H]1O P15622 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.7 CCCC[C@H]1CO1 D90517 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.7 CCOC[C@H]1CO1 S11916 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.24 C1=CCCCCC1 D89286 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.24 C1CCCCCC1 D89252 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.24 C1CCCOCC1 D90874 [0,0,0,1,0,0|2,0,0]=3 109 B4R0.2 C#CCCC D91892 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.2 CC#CCC D91988 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.2 CCCCC D91890 [2,0,0,0,0,0|1,0,0]=3 112 B4R0.2 CCCCN T70340 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.2 CCCNN AC6659 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.2 CCCOC D91344 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.2 CCCON AC8673 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.2 CCCSC D91585 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 CCNCC D89660 [2,0,0,0,0,0|0,0,0]=2 118 B4R0.2 CCSCC W13859 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.2 CNCC#N D91283 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.2 CNCC#N D91284 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.2 CSCCN F53618 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 C\C=C\CC D91989 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.2 C\C=C\CO 41794 [2,0,0,0,0,0|0,0,2]=4 124 B4R0.2 ClCCCCl D89645 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 FCCCF F10308 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 NCCCN D88819 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 NCCCO D88258 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.1 CCC[C@@H](C)CC D91320 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.1 CCC[C@@H](O)CC F16582 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.1 CCC[C@H](N)CO A10465 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.1 CCC[C@H](N)CO A10469 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.1 CCNC(=O)CC D90484 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.1 CCNC(=O)CCl 71051 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.1 CCNC(=O)CN C15442 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.1 CCO[C@@H](Cl)CCl D89636 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.1 CC[C@H](C)CCO D91364 [1,1,0,0,0,0|1,0,0]=3 137 B6R0.1 CC[C@H](C)CCO T72450 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.1 CC[S@](=O)CCCl D80955 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 C[C@H](CO)CCN T71428 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.1 ClC[C@@H](Cl)CCBr D88839 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.4 CC(=O)NCCCl 57501 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CC(C)NCCN D91135 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.4 CC(C)OCCN AT12492 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.4 CC(C)SCCN AT25564 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.4 CC(C)SCCO D91113 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.4 CCCCC(C)C D91294 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 CCCC[C@H](C)Br D88771 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.4 CCCC[C@H](C)Cl D89320 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.4 CCCC[C@H](C)N A12776 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.4 CCCC[C@H](C)O D97165 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.4 CCCC[C@H](C)O D97166 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.4 CCCSC(C)C D92018 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 CCNC[C@H](C)O D90604 [1,1,0,0,0,0|0,0,0]=2 154 B8R0.1 CCOC(=O)NCCO AT13708 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.4 C=CCCCCCCO F14752 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.4 CCCCC#CCCO D91816 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.4 CCCCCC#CCO D91880 [0,2,0,0,0,0|2,0,0]=4 158 B8R0.4 CCCC\C=C\CCO D91844 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.4 CC\C=C/CCCCO D91845 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.4 COCCCCCOC D90119 [0,2,0,0,0,0|1,0,0]=3 161 B8R0.6 C#C[C@@H](O)CCCCC 51066 [0,2,0,0,0,0|2,0,0]=4 162 B8R0.6 C#C[C@@H](O)CCCCC D91830 [0,2,0,0,0,0|2,0,0]=4 163 B8R0.6 CCCCC[C@H](O)CO D90979 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.7 NCCCNCC(=O)O D88391 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.9 CCC(C)CCC(C)O D91466 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.11 CCCCC(CO)CO 36758 [0,2,0,0,0,0|2,0,0]=4 167 B8R0.28 CC(C)CCC[C@H](C)O D91384 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.22 CCCN(CC)CCC D90576 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.22 CCN(CCO)CCO C10661 [0,2,0,0,0,0|0,0,0]=2 170 B6R1.1 C1CCOCC1 H11250 [1,0,0,1,0,0|1,0,0]=3 171 B6R1.1 C1CNCCN1 D91965 [1,0,0,1,0,0|1,0,0]=3 172 B6R1.1 C1COCCO1 D88955 [1,0,0,1,0,0|1,0,0]=3 173 B6R1.1 C1COCOC1 D89730 [1,0,0,1,0,0|2,0,0]=4 174 B6R1.2 CC1OCCO1 D91291 [1,0,0,1,0,0|1,0,0]=3 175 B6R1.2 C[C@H]1CCCN1 W10111 [1,0,0,1,0,0|1,0,0]=3 176 B6R1.2 C[C@H]1COCO1 D91404 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.2 OC1CCCC1 25002 [1,0,0,1,0,0|1,0,0]=3 178 B6R1.2 O[C@H]1CCNC1 O12064 [1,0,0,1,0,0|0,0,0]=2 179 B6R1.2 [Mg+]C1CCCC1 FD10627 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.3 CCC[C@H]1CO1 D90574 [1,0,0,1,0,0|1,0,0]=3 181 B6R1.3 CSC[C@H]1CO1 F19305 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.8 CC1CC1CO 73978 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.2 BrC[C@H]1CCCCO1 N11991 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.2 CC[C@H]1CCCNC1 N10050 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.2 CC[C@H]1CNCCN1 77624 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.2 CC[C@H]1CNCCO1 S12054 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.2 COC1CCCCC1 D91594 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.2 CO[C@H]1CCCNC1 37170 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.2 FC[C@H]1CCCNC1 D76585 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.2 NC[C@H]1COCCO1 F10419 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.2 NOC1CCCCC1 97660 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.2 O=C[C@H]1CCCNC1 D87810 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.2 OCC1CCNCC1 P19521 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.2 OC[C@H]1CNCCN1 D76640 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.2 OC[C@H]1CNCCO1 F18491 [0,1,0,1,0,0|0,0,0]=2 196 B8R1.5 C[C@@H]1CCCC[C@@H]1O D91322 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.5 C[C@H]1CCCC[C@@H]1O T72898 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl D90027 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.5 O=C1CCNC[C@@H]1Br D88110 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.5 O[C@H]1CCCC[C@H]1O D73189 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.8 COC[C@H]1CCCN1 11151 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.8 ClCCN1CCCC1 F13141 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.8 N#CCC1OCCO1 T70683 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.8 NCCN1CCCC1 65494 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.11 CN1CCC[C@@H]1CN 37196 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.22 C[C@H]1CCCNCC1 W10113 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.22 NN1CCCCCC1 D88374 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.22 O=C1CCOCCO1 T70817 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.22 O[C@H]1CNCCOC1 72606 [0,1,0,1,0,0|0,0,0]=2 210 B8R1.36 CCCNCC1CC1 Y11019 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.36 N#CCCNC1CC1 AT25787 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.49 C1CCCNCCC1 H10592 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.3 C[C@H]1CC[C@@H](O)CC1 D91323 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.3 C[C@H]1CN[C@H](C)CN1 F12545 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.3 NC1CCC(O)CC1 AB1056 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.3 N[C@H]1CC[C@@H](O)CC1 N11961 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.52 CC1(CBr)OCCO1 AC9362 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.4 CC1CNCC(C)O1 F17632 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.4 C[C@H]1CNC[C@@H](C)N1 H10755 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.4 C[C@H]1CNC[C@H](C)O1 P20445 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.4 NC1CCCC(O)C1 O10943 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.7 CC(C)[C@@H]1CCCN1 P10190 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.72 CC1(C)CNCCN1 85384 [0,1,0,1,0,0|2,0,0]=4 224 B8R2.34 C1OC2CNC1C2 P17264 [0,0,0,2,0,0|1,0,0]=3