0 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CC/C=C(\C)/CO S888702 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CCC(=O)COC CDS024044 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCC(=O)OCS PH000959 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCCC(C)NC PH018184 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCCC(N)CC CBR01120 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCNC(=O)CBr CBR01984 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCNC(=O)CCl TMT00299 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCNC(C)CC CBR00870 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCOC(=O)NC PH010865 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCOC(=O)N[O-] S859273 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 CCOC(=S)S[TlH2] S828327 [0,0,0,0,0,0|2,2,0]=4 13 B6R0.1 CCSC(=N)NN R163066 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 CCSC(=O)CC CDS001498 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CNCC(=O)NC CBR00235 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CNCC(=O)OC PH006931 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COC(=O)/C=C\I SYX00331 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 [Li]OC(=O)CCC S813958 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 C=C(C)CSC S866024 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCNC(=N)N PH018983 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCOC(=S)N PH003667 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.1 CCOC(=S)[S-] R464988 [1,0,0,0,0,0|1,2,0]=4 26 B5R0.1 CCOC(=S)[S-] R533475 [1,0,0,0,0,0|1,2,0]=4 27 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 COCCSC S698245 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 CCC(N)CC TMT00064 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.3 CCN(O)CC S623067 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 CC[Tl](Br)CC S837075 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.3 CC[Tl](I)CC S837083 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 CNC(=O)CCl OTV000964 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.3 CNC(=O)NN CDS019843 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.3 CSC(=S)NN PH008635 [1,0,0,0,0,0|1,2,0]=4 49 B7R0.2 CC(C)CC(=O)C#N R260371 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.2 CC(C)OC(=O)CS S593931 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.2 CC(C)OC(=O)NF PH009513 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|0,0,0]=1 60 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.3 CCC#CC(=O)OC T242845 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.3 CCCNC(=O)CCl OTV000047 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.3 CCCNC(=S)NC S512176 [0,1,0,0,0,0|1,1,0]=3 65 B7R0.3 CCCOC(=O)CBr PH011324 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.3 CCCOC(=O)CCl S431443 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.3 CCCOC(=O)CN PH019063 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.3 CCOCC(=O)OC EME00071 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.3 CCSCS(=O)CC S697834 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.3 CNC(=O)OCCCl L163082 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.3 CNC(=O)OCCO S392650 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.3 CNCCC(=O)NC CBR01261 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.3 COC(=O)CCC#N S369640 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.3 COCCC(=O)NN CDS018970 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.3 NNC(=O)CCCO CDS001562 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.3 NNC(=O)OCCO S749680 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.5 CCOC(=O)N(C)C PH001938 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.5 CCOC(=O)N(C)N PH007944 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.5 COCC(=O)C(C)C CDS024045 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.5 CSCC(=O)N(C)C PH007257 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.7 CCCS(=O)CCC S440973 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.7 CCNC(=O)CC#N OTV000131 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.7 CCOC(=O)CCI T255378 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.7 CCOC(=O)CNC PH000310 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.7 CCOC(=O)CNN CDS009912 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.7 CCOC(=O)NNC PH007943 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.7 CCOC(=O)NOC PH005154 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.7 CCSC(=O)SCC S189634 [0,1,0,0,0,0|1,1,0]=3 96 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.10 COC(=O)C(=O)NN PH011621 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.12 CCN[C@H](CC)CO PH018891 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.1 CC=C1CCCC1 S431559 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.1 COC1=NCCC1 PH000359 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.1 COP1OCCO1 PH002032 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.1 N1CCN=C1NC S897086 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.2 CC1CCC(N1)C S652032 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 CC1CNC(=S)S1 S920002 [0,0,0,1,0,0|2,1,0]=4 109 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|0,0,0]=1 111 B7R1.2 CC1COS(=O)O1 S409928 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.2 CC1OC(=O)CS1 PH007278 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|0,0,0]=1 115 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,1,0,0|1,1,1]=4 120 B7R1.3 CC1NCCCS1 T149675 [0,0,0,1,0,0|1,1,1]=4 121 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.3 O=C1COCCN1 T160245 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,1,0,0|0,0,0]=1 128 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.4 CC1=C(CCC1)Br T256854 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.4 CN1CCN=C1N S897663 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.4 CN1CCNC1=O CDS006142 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.4 NC1CCSC1=O S784036 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.4 NN1CCOC1=O S462624 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.15 CC1NC(=O)C1C T173835 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.15 CC1NC(=O)C1C T173843 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.22 CNC(=O)C1CC1 S261831 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.22 COC(=O)N1CC1 T175501 [0,0,0,1,0,0|0,0,0]=1 142 B7R1.22 NNC(=O)C1CC1 PH010669 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,0,0,1,0,0|3,0,0]=4 144 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|0,0,1]=3 149 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 150 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|0,1,0]=3 152 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 OCNCCl R464872 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.2 C=C(C)CC(C)C R289256 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.2 CC(=N)CC(=O)C S366234 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|0,0,0]=2 160 B6R0.2 CC(=O)SC(=O)C R425621 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.3 CC(CN)C(=O)O CDS014136 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.3 CC(CS)C(=O)O CDS000283 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.3 CCC(C)C(=O)N S799637 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.3 CCC(N)C(=O)N S784044 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 NCC(N)C(=O)O R278769 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.4 C=CCNC(=O)C EME00415 [1,1,0,0,0,0|0,0,1]=3 173 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|0,0,0]=2 174 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.4 CCCNC(=N)N L254797 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 NCCNC(=S)S S357634 [1,1,0,0,0,0|0,2,0]=4 190 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.5 CCNC(C)(C)C CDS000392 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.5 CCNS(=O)(=O)Cl CDS007313 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.5 CCNS(=O)(=O)[O-] R464244 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.6 CCCNCCC R580155 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.8 COP(=O)(O)OC CDS014665 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.9 CCC(CN)OC CBR00912 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.9 CCC(CN)OC CDS002072 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.2 CCC(Br)C(=O)N(C)C PH009303 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.2 CCC(C)C(=O)C(C)C S431117 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [0,2,0,0,0,0|1,0,0]=3 201 B8R0.2 COC(=O)C(N)C(C)O S765430 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.2 CON(C)C(=O)N(C)C R751812 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|0,0,1]=3 208 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,2,0,0,0,0|0,0,0]=2 209 B8R0.5 CCOC(=O)N[N+](=O)[O-] R580899 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.19 CCC(C)NC(=O)NC S724750 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,2,0,0,0,0|1,0,1]=4 214 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,2,0,0,0,0|0,0,1]=3 215 B8R0.24 C=CC(=O)NC(C)(C)C S601497 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.1 C#CCNC(=O)CCCl S893137 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.1 C#CCNC(=O)COC CDS023428 [0,2,0,0,0,0|0,0,1]=3 220 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.1 C=CCNC(=O)OCC S361445 [0,2,0,0,0,0|0,0,1]=3 222 B8R0.1 CC=CC(=O)NCCC T173770 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.1 CCCCC(=O)CCC S456489 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.1 CCCNC(=O)NCC S805858 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.1 CCCNC(=O)OCC S361909 [0,2,0,0,0,0|0,0,0]=2 226 B8R0.1 CCOC(=O)CCC#N PH003642 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.1 CCOC(=O)CCOC CDS025273 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.1 CCOC(=O)NCCO S391980 [0,2,0,0,0,0|0,0,0]=2 229 B8R0.1 N#CCC(=O)NCCO S550701 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|1,0,0]=3 236 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.6 C#CCCCC(=O)OC T287598 [0,2,0,0,0,0|1,0,0]=3 239 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.6 CCCCCC(=O)SC CDS010601 [0,2,0,0,0,0|1,1,0]=4 241 B8R0.6 CCCCNC(=O)CCl TMT00394 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.6 CCCCNC(=O)OC S352683 [0,2,0,0,0,0|0,0,0]=2 243 B8R0.6 CCOCCC(=O)OC PH000125 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.6 CCSCCC(=O)OC S365688 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.6 COC(=O)CCN=C=O PH010957 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.6 COC(=O)CNCC#N CDS021131 [0,2,0,0,0,0|0,0,1]=3 247 B8R0.6 COC(=O)NCCC#N T284297 [0,2,0,0,0,0|0,0,0]=2 248 B8R0.8 CCCCC(=O)N(C)C S939811 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.8 CN(C)C(=O)CCCN CBR00927 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.9 BC(=O)NCC(=O)OC R277398 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.9 C=C(C)CNC(=S)NC R750247 [0,2,0,0,0,0|1,1,0]=4 254 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.9 COC(=O)CNC(=O)C S785687 [0,2,0,0,0,0|0,0,1]=3 257 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,2,0,0,0,0|0,0,1]=3 258 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.14 CCNC(=O)C(C)(C)O S536970 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.14 CCNC(=O)C(Cl)(Cl)Cl PH009199 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.30 CCOP(=O)(O)OCC CDS000320 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.13 COC(=O)C(C)(Br)CBr S881287 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.20 C(=C(\CBr)/C(=O)OC)\C T262250 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.20 CCC(CC)C(=O)OC S240257 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.20 CCC(NC)C(=O)OC CBR01434 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.20 CCN(CC)C(=O)CBr CBR01980 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.20 [C-]#[N+]C(CC)C(=O)OC PH015976 [0,2,0,0,0,0|1,0,0]=3 268 B6R1.2 CC1NCCS1 CDS001533 [1,0,0,1,0,0|0,1,1]=4 269 B6R1.2 O=C1NCCS1 CDS011623 [1,0,0,1,0,0|0,1,0]=3 270 B6R1.2 P1(=O)OCCO1 S428957 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,1,0,1,0,0|0,0,0]=2 275 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.1 O=C1OCC(O1)CCl S416657 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.4 CC1CCOS(=O)O1 S359173 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.4 CC1COCC(N1)C CDS019404 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.40 CO/C(=N/C1CC1)/C T199370 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.51 CC1(CNC(=S)N1)C T149195 [0,1,0,1,0,0|1,1,0]=4 290 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,1,0,1,0,0|0,0,0]=2 291 B8R1.51 CC1NC(CO1)(C)C PH016117 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.83 COC(=O)C1CC1C EME00059 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.2 COC1CCCNC1 CDS007978 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.3 N1CN(CNC1=S)C S513881 [0,1,0,1,0,0|1,1,0]=4 298 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.22 CC1=NCCCCN1 S168785 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.22 O=C1CCSCCN1 SYX00233 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.22 O=C1CNCCCN1 CDS019453 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.22 S=C1NCCCCN1 PH000173 [0,1,0,1,0,0|1,1,0]=4 310 B8R1.38 COC(=O)C1CCC1 S851957 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.50 CN1CCN(C1=S)C R366706 [0,1,0,1,0,0|1,1,0]=4 313 B8R1.37 CCCC(=O)N1CC1 S406996 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.54 CC(C)C(=O)C1CC1 CDS023680 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.54 CC(C)C(=O)N1CC1 S432822 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.8 CCCC1=NCCO1 S396397 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.11 CCC1CCNC1=O CBR01663 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.11 O=C1CCCN1CO S362557 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.39 COC(=O)C1(CC1)N CDS020064 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.33 C/N=C(/OC)\C1CC1 T170984 [0,1,0,1,0,0|2,0,0]=4