0 B8R0.28 C(C(=O)O)NCC(=O)O TS05807 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 C(C(=O)O)OCC(=O)O TS22953 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 C(CC(=O)Cl)CC(=O)Cl TS12636 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 C(CC(=O)N)CC(=O)O TS05646 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 C(CC(=O)O)CC(=O)O TS05706 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] TS13768 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 C(CC(=S)O)CC(=S)O TS53688 [0,0,0,0,0,0|2,1,1]=4 7 B8R0.28 C(CNC(=N)N)C(=O)O TS08983 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.28 C(CNC(=N)S)C(=O)O TS07452 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.28 C(CNC(=O)N)C(=O)O TS36649 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.28 C(CSC(=N)N)C(=O)O TS48678 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.28 CC(=C)CCCC(=C)C TS05046 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.28 CC(=CCCC(=O)C)C TS36151 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.28 CC(=CCOC(=O)C)C TS05349 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 CC(=NOCC(=O)O)C TS05640 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,0,0,0,0,0|1,0,3]=4 16 B8R0.28 CC(=O)CCCC(=O)O TS36468 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.28 CC(=O)NCCC(=O)O TS05634 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.28 CC(=O)OCCN(C)C TS36594 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.28 CC(C)CC=CC(=O)C TS05196 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.28 CC(C)CCCC(=C)C TS05218 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.28 CC(C)CCCC(=O)O TS36507 [0,0,0,0,0,0|0,0,0]=0 22 B8R0.28 CC(C)CCCC(C)C TS05409 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.28 CC(C)CCCC(C)N TS05490 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.28 CC(C)CCCC(C)O TS36534 [0,0,0,0,0,0|1,0,1]=2 25 B8R0.28 CC(C)CCNC(=O)C TS36434 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.28 CC(C)CCOC(=O)C TS05553 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.28 CC(C)CCO[N+](=O)[O-] TS01921 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.28 CC(C)CNCC(C)C TS05496 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.28 CC(C)CNCC(C)C TS12121 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.28 CC(C)COCC(C)C TS05584 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.28 CC(C)CSCC(C)C TS40482 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.28 CC(C)C[Al+]CC(C)C TS08720 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.28 CC(C)C[Al+]CC(C)C TS11262 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.28 CC(C)C[Al+]CC(C)C TS46202 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.28 CC(C)OCCC(=O)C TS05569 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.28 CC(CNCC(C)O)O TS01444 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.28 CN(C)CC=CC(=O)O TS01732 [0,0,0,0,0,0|1,0,2]=3 38 B8R0.28 CN(C)CCCC(=O)O TS12444 [0,0,0,0,0,0|1,0,0]=1 39 B8R0.28 CN(C)CCCN(C)C TS05608 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.28 CN(C)CCSC(=N)N TS23037 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.28 CP(C)CCCP(C)C TS42709 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.28 C[C@@H](CCCC(C)C)N TS04561 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.4 B(CCCCC)(O)O TS01615 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.4 C(C#N)SCC(=O)O TS36584 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 C(CC(=O)O)CON TS18930 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 C(CCBr)CC(=N)N TS47673 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.4 C(CCN)CC(=O)O TS04661 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.4 C(CCN)CC(=O)O TS41314 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.4 C(CCl)OCC(=O)O TS37248 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 C(CNCC(=O)O)N TS32336 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 C(COC(=O)Cl)CCl TS93963 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 C(COCC(=O)N)O TS32389 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.4 C=CCCCC(=O)O TS04449 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.4 C=CCNCC(=O)O TS41063 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 CC#CCCC(C)C TS31843 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 CC(=CCCC=C)C TS31846 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 CC(=CCOC=O)C TS04439 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 CC(=O)CCCC#N TS04252 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CC(=O)CCCCBr TS47671 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 CC(=O)CCCCCl TS05947 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.4 CC(=O)OCCCCl TS06130 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.4 CC(=O)OCCOC TS32328 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 CC(C)CCCC=C TS31960 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.4 CC(C)CCCCBr TS14341 [1,0,0,0,0,0|1,0,1]=3 69 B7R0.4 CC(C)CCCCCl TS36890 [1,0,0,0,0,0|1,0,1]=3 70 B7R0.4 CC(C)CCN=C=S TS05485 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.4 CC(C)CCOC=O TS32212 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.4 CC(C)CCON=O TS01922 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.4 CC(C)COCCO TS04743 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.4 CC(C)CSCCO TS36873 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.4 CC(C)NCCCN TS04629 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CC(C)NCCOC TS32291 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 CC(C)OCCC#N TS32022 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 CC(C)OCCCN TS32297 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 CC(CCCCO)O TS04744 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.4 CC=CCCC(C)C TS31977 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.4 CCC=CCC(=O)O TS04425 [1,0,0,0,0,0|0,0,2]=3 82 B7R0.4 CCCC#CC(=O)C TS31834 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.4 CCCC#CC(=O)O TS31912 [1,0,0,0,0,0|0,0,2]=3 84 B7R0.4 CCCC=CC(=O)C TS31936 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.4 CCCC=CC(=O)O TS59547 [1,0,0,0,0,0|0,0,2]=3 86 B7R0.4 CCCCC=C(C)C TS04347 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.4 CCCCCC(=C)C TS04340 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.4 CCCCCC(=O)C TS32098 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.4 CCCCCC(=O)Cl TS05948 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.4 CCCCCC(=O)N TS32152 [1,0,0,0,0,0|1,0,0]=2 91 B7R0.4 CCCCCC(=O)O TS32204 [1,0,0,0,0,0|0,0,0]=1 92 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,0,0,0,0,0|0,0,1]=2 93 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,0,0,0,0,0|0,0,1]=2 94 B7R0.4 CCCCCC(C)Br TS14342 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 CCCCCC(C)C TS32120 [1,0,0,0,0,0|1,0,1]=3 96 B7R0.4 CCCCCC(C)Cl TS05959 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.4 CCCCCC(C)N TS04560 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.4 CCCCCC(C)O TS32255 [1,0,0,0,0,0|1,0,1]=3 99 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.4 CCCCC[C@H](C)N TS04553 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.4 CCCCC[C@H](C)O TS32248 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.4 CCCCNC(=O)C TS32171 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.4 CCCCNC(=O)N TS04607 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.4 CCCCNC(=S)N TS05781 [1,0,0,0,0,0|2,1,0]=4 107 B7R0.4 CCCCOC(=O)C TS32218 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.4 CCCCOC(=O)Cl TS16538 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.4 CCCCOC(=O)N TS04660 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.4 CCCCOC(=S)C TS05777 [1,0,0,0,0,0|2,1,0]=4 111 B7R0.4 CCCCON(=O)=O TS32384 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 CCCCSC(C)C TS05791 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 CCCNCC(=O)O TS04670 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.4 CCCOCC(=O)O TS32314 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.4 CCCOCC(C)O TS04740 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 CCCSCC(=O)O TS05921 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.4 CCCSCC(C)C TS05789 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.4 CCOC=CC(=O)O TS32181 [1,0,0,0,0,0|1,0,2]=4 119 B7R0.4 CCOCCC(=O)C TS04589 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.4 CCOCCC(=O)O TS32325 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.4 CCSCCC(C)C TS05793 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.4 CN(C)CCCC#N TS04320 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.4 CN(C)CCCC=O TS32154 [1,0,0,0,0,0|1,0,0]=2 124 B7R0.4 CN(C)CCCCN TS32257 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.4 CN(C)CCCCO TS32288 [1,0,0,0,0,0|1,0,1]=3 126 B7R0.4 CNCCCC(=O)O TS41308 [1,0,0,0,0,0|1,0,0]=2 127 B7R0.4 CNCCCN(C)C TS08611 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.4 COCCOC(=O)Cl TS37247 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.4 C[C@H](CCCCO)O TS04737 [1,0,0,0,0,0|1,0,1]=3 130 B9R0.1 C(CNC(=O)CCl)C(=O)O TS12102 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.1 C(CNC(=O)CN)C(=O)O TS40383 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.1 CC(=O)NCCC(=O)OC TS07077 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.1 CC(C)CC=CC(=O)OC TS37612 [0,1,0,0,0,0|0,0,2]=3 134 B9R0.1 CC(C)CCCC(=O)OC TS06994 [0,1,0,0,0,0|0,0,0]=1 135 B9R0.1 CC(C)CCCC(C)C=C TS06517 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.1 CC(C)CCOC(=O)CS TS11612 [0,1,0,0,0,0|1,1,0]=3 137 B9R0.1 CC(CCOC(=O)C)C=C TS06713 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.1 CC(CCOC(=O)C)OC TS40425 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.1 CCC(=O)OCCC(C)C TS06990 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.1 CCC(C)CCCC(C)C TS06782 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.1 CCC(C)OCCC(=O)C TS06972 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.1 CN(C)CCOC(=O)C=C TS40086 [0,1,0,0,0,0|3,0,0]=4 143 B9R0.1 CN(CCCC(=O)O)N=O TS07179 [0,1,0,0,0,0|2,0,0]=3 144 B9R0.1 COC(=O)CCCC(=O)Cl TS16581 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.1 COC(=O)CCCC(=O)O TS70778 [0,1,0,0,0,0|1,0,1]=3 146 B9R0.1 COC(=O)CCC[N+](=O)[O-] TS40493 [0,1,0,0,0,0|3,0,0]=4 147 B9R0.7 C(CC(=O)N)C(C(=O)O)N TS07181 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N TS74515 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N TS34574 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.7 C(CC(=O)O)C(C(=O)O)N TS11984 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.7 C(CC(=O)O)C(C(=O)O)N TS15184 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.7 C(CC(=O)O)C(C(=O)O)N TS94015 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.7 C(CC(=O)O)[C@@H](C(=O)N)N TS40387 [0,1,0,0,0,0|2,0,1]=4 154 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N TS15182 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.7 C(CC(=O)O)[C@@H](C(=O)[O-])N TS11825 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.7 C(CC(=O)O)[C@H](C(=O)N)N TS40385 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.7 C(CS(=O)O)[C@@H](C(=O)O)N TS12380 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.7 C(CS(=O)O)[C@H](C(=O)O)N TS12381 [0,1,0,0,0,0|3,0,0]=4 159 B9R0.7 CC(C(=O)NCC(=O)O)Cl TS12104 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.7 CC(C(=O)NCC(=O)O)N TS07184 [0,1,0,0,0,0|2,0,1]=4 161 B9R0.7 CC(C(=O)NCC(=O)O)S TS42588 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.7 CC(C(=O)O)ON=C(C)C TS07073 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.7 CC(C)CCC(C(=O)O)N TS07102 [0,1,0,0,0,0|0,0,0]=1 164 B9R0.7 CC(C)CCC(C(C)C)O TS07016 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.7 CC(CCC(=O)O)C(=O)O TS07157 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.7 CN(C)C(=O)CCC(=O)O TS40298 [0,1,0,0,0,0|1,0,1]=3 167 B9R0.7 CN(C)C(=S)SCC(=O)O TS47776 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.7 CS(=O)CCC(C(=O)O)N TS42911 [0,1,0,0,0,0|2,0,0]=3 169 B9R0.7 CS(=O)CCC(C(=O)O)N TS93808 [0,1,0,0,0,0|2,0,0]=3 170 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N TS42914 [0,1,0,0,0,0|2,0,0]=3 171 B9R0.7 C[C@H](C(=O)NCC(=O)O)N TS40382 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.7 C[C@H](CCC(=O)O)C(=O)O TS07161 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O TS40496 [0,1,0,0,0,0|3,0,0]=4 174 B9R0.7 C[S+](C)CC[C@@H](C(=O)O)N TS61973 [0,1,0,0,0,0|1,0,0]=2 175 B9R0.53 C(C(CC(=O)O)N)C(=O)O TS40510 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,1,0,0,0,0|1,0,1]=3 177 B9R0.53 CC(C)CC(C)CC(=O)C TS37641 [0,1,0,0,0,0|1,0,0]=2 178 B9R0.53 CC(C)CC(C)CC(C)C TS06795 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.53 CC(C)CC(CC(C)C)O TS40237 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS40318 [0,1,0,0,0,0|0,0,0]=1 181 B9R0.53 CC(C)C[C@@H](CC(=O)O)N TS48165 [0,1,0,0,0,0|0,0,0]=1 182 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.53 CC(C)OC(C)NC(=O)C TS40319 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.53 CC(CC(=O)O)CC(=O)O TS02847 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.56 C(CC(=O)O)CC(F)(F)F TS10640 [0,1,0,0,0,0|2,0,0]=3 186 B9R0.56 C(CC(=O)O)CS(=O)(=O)N TS03191 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.56 CC(=CCCC(C)(C)O)C TS06746 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.56 CC(=O)OCC[N+](C)(C)C TS24119 [0,1,0,0,0,0|3,0,0]=4 189 B9R0.56 CC(=O)OCC[N+](C)(C)C TS27373 [0,1,0,0,0,0|3,0,0]=4 190 B9R0.56 CC(=O)OCC[N+](C)(C)C TS33460 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.56 CC(=O)OCC[N+](C)(C)C TS48156 [0,1,0,0,0,0|3,0,0]=4 192 B9R0.56 CC(=O)OCC[Si](C)(C)Cl TS14703 [0,1,0,0,0,0|2,1,0]=4 193 B9R0.56 CC(=O)SCC[N+](C)(C)C TS26813 [0,1,0,0,0,0|3,0,0]=4 194 B9R0.56 CC(=O)SCC[N+](C)(C)C TS35208 [0,1,0,0,0,0|3,0,0]=4 195 B9R0.56 CC(=O)SCC[N+](C)(C)C TS53927 [0,1,0,0,0,0|3,0,0]=4 196 B9R0.56 CC(C)(C)CCCC(=O)O TS40213 [0,1,0,0,0,0|0,0,0]=1 197 B9R0.56 CC(C)(C)OCCC(=O)O TS40415 [0,1,0,0,0,0|1,0,0]=2 198 B9R0.56 CC(C)CCCC(C)(C)O TS40242 [0,1,0,0,0,0|1,0,1]=3 199 B9R0.56 CC(CCCC(C)(C)O)N TS40342 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.56 C[N+](C)(C)CCCC(=O)O TS48162 [0,1,0,0,0,0|1,0,0]=2 201 B9R0.56 C[N+](C)(C)CCOC(=O)N TS15068 [0,1,0,0,0,0|3,0,0]=4 202 B9R0.56 C[N+](C)(C)CCOC(=O)O TS42882 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.35 C1C(OC(S1)C(=O)O)O TS09846 [0,0,0,1,0,0|3,0,0]=4 204 B9R1.35 C1CC(=O)CC1C(=O)O TS70700 [0,0,0,1,0,0|1,0,1]=3 205 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O TS90178 [0,0,0,1,0,0|1,0,1]=3 206 B9R1.35 C1CC(=O)C[C@H]1C(=O)O TS86854 [0,0,0,1,0,0|1,0,1]=3 207 B9R1.35 C1CC(=O)NC1C(=O)O TS05440 [0,0,0,1,0,0|2,0,1]=4 208 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O TS05437 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.35 C1CC(=O)N[C@H]1C(=O)O TS05430 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O TS59548 [0,0,0,1,0,0|2,0,1]=4 211 B9R1.35 C1CC(CC1C(=O)O)N TS39702 [0,0,0,1,0,0|1,0,0]=2 212 B9R1.35 C1C[C@@H](C[C@H]1C(=O)O)O TS36473 [0,0,0,1,0,0|1,0,0]=2 213 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS08777 [0,0,0,1,0,0|1,0,0]=2 214 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N TS92868 [0,0,0,1,0,0|1,0,0]=2 215 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N TS92542 [0,0,0,1,0,0|1,0,0]=2 216 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS11765 [0,0,0,1,0,0|1,0,2]=4 217 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O TS36219 [0,0,0,1,0,0|1,0,2]=4 218 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)Br TS46524 [0,0,0,1,0,0|2,0,0]=3 219 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F TS46525 [0,0,0,1,0,0|2,0,0]=3 220 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)N TS46523 [0,0,0,1,0,0|2,0,0]=3 221 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S TS85743 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)F TS08009 [0,0,0,1,0,0|2,0,0]=3 223 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O TS36226 [0,0,0,1,0,0|1,0,2]=4 224 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS08776 [0,0,0,1,0,0|1,0,2]=4 225 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O TS11766 [0,0,0,1,0,0|1,0,2]=4 226 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)Br TS46521 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F TS01733 [0,0,0,1,0,0|2,0,0]=3 228 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)N TS46520 [0,0,0,1,0,0|2,0,0]=3 229 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O TS01525 [0,0,0,1,0,0|2,0,0]=3 230 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS43718 [0,0,0,1,0,0|2,0,1]=4 231 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS71273 [0,0,0,1,0,0|2,0,1]=4 232 B9R1.35 C1[C@H](NCC1=O)C(=O)O TS94150 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.35 CC(=O)C1CCC(=O)O1 TS36267 [0,0,0,1,0,0|1,0,1]=3 234 B9R1.35 CC(=O)N1CCC(C1)N TS90065 [0,0,0,1,0,0|3,0,0]=4 235 B9R1.35 CC(=O)N1CC[C@H](C1)O TS86695 [0,0,0,1,0,0|3,0,0]=4 236 B9R1.35 CC(C)N1CCC(C1)O TS05476 [0,0,0,1,0,0|2,0,1]=4 237 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TS46612 [0,0,0,1,0,0|2,0,0]=3 238 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 TS11449 [0,0,0,1,0,0|2,1,0]=4 239 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 TS92984 [0,0,0,1,0,0|2,1,0]=4 240 B9R1.35 CC(C)[C@H]1COC(=O)N1 TS08657 [0,0,0,1,0,0|2,0,0]=3 241 B9R1.35 CC(C)[C@H]1COC(=S)N1 TS40330 [0,0,0,1,0,0|2,1,0]=4 242 B9R1.35 CC(C)[C@H]1CSC(=S)N1 TS11450 [0,0,0,1,0,0|2,1,0]=4 243 B9R1.35 CC(C)c1n[nH]c(=O)o1 TS05317 [0,0,0,1,0,0|2,0,1]=4 244 B9R1.35 CC1N[C@H](CS1)C(=O)O TS07362 [0,0,0,1,0,0|2,0,0]=3 245 B9R1.35 CN1CCC(C1)C(=O)O TS42973 [0,0,0,1,0,0|1,0,0]=2 246 B9R1.35 CN1CCC(C1)C(=O)O TS47006 [0,0,0,1,0,0|1,0,0]=2 247 B9R1.35 CN1CC[C@@H](C1)C(=O)O TS88736 [0,0,0,1,0,0|1,0,0]=2 248 B9R1.35 CN1CC[C@H](C1)C(=O)O TS91774 [0,0,0,1,0,0|1,0,0]=2 249 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O TS05455 [0,0,0,1,0,0|1,0,0]=2 250 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O TS36399 [0,0,0,1,0,0|1,0,0]=2 251 B9R1.49 CN1CCC(=O)NCC1 TS05363 [0,0,0,1,0,0|3,0,0]=4 252 B9R1.49 CN1CCCC(CC1)O TS36433 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.53 C1C(CC1N)CC(=O)O TS92255 [0,0,0,1,0,0|1,0,0]=2 254 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N TS92551 [0,0,0,1,0,0|1,0,0]=2 255 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N TS92653 [0,0,0,1,0,0|1,0,0]=2 256 B9R1.53 CC(=O)NC1CC(C1)N TS91694 [0,0,0,1,0,0|3,0,0]=4 257 B9R1.66 CC1(CC(=O)CCO1)C TS08789 [0,0,0,1,0,0|2,0,0]=3 258 B9R1.66 CC1(CCCC(=O)C1)C TS05189 [0,0,0,1,0,0|1,0,0]=2 259 B9R1.66 CC1(CCOC(=O)C1)O TS05520 [0,0,0,1,0,0|3,0,0]=4 260 B9R1.66 CC1CCCC(C1)(C)C TS36182 [0,0,0,1,0,0|2,0,1]=4 261 B9R1.66 C[C@]1(CCOC(=O)C1)O TS05519 [0,0,0,1,0,0|3,0,0]=4 262 B9R1.166 CC(=O)[C@H]1CCC1(C)C TS12076 [0,0,0,1,0,0|1,0,0]=2 263 B7R0.6 C(CC(=O)O)C(=O)N TS32275 [0,0,0,0,1,0|2,0,1]=4 264 B7R0.6 C(CC(=O)O)C(=O)O TS04698 [0,0,0,0,1,0|2,0,1]=4 265 B7R0.6 C(CC(=O)O)C(=O)O TS79519 [0,0,0,0,1,0|2,0,1]=4 266 B7R0.6 C(C[N+](=O)[O-])C(=O)O TS32372 [0,0,0,0,1,0|3,0,0]=4 267 B7R0.6 CC(=C)CCC(=O)C TS04310 [0,0,0,0,1,0|1,0,2]=4 268 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,0,0,0,1,0|0,0,2]=3 269 B7R0.6 CC(=O)CCC(=O)C TS00680 [0,0,0,0,1,0|2,0,1]=4 270 B7R0.6 CC(=O)CCC(=O)O TS64917 [0,0,0,0,1,0|1,0,1]=3 271 B7R0.6 CC(=O)NCC(=O)O TS33214 [0,0,0,0,1,0|2,0,1]=4 272 B7R0.6 CC(=O)OCC(=O)O TS04693 [0,0,0,0,1,0|2,0,1]=4 273 B7R0.6 CC(C)C=CC(=O)C TS01150 [0,0,0,0,1,0|1,0,2]=4 274 B7R0.6 CC(C)C=CC(=O)O TS04440 [0,0,0,0,1,0|0,0,2]=3 275 B7R0.6 CC(C)CCC(=C)C TS31967 [0,0,0,0,1,0|2,0,0]=3 276 B7R0.6 CC(C)CCC(=O)C TS32095 [0,0,0,0,1,0|1,0,0]=2 277 B7R0.6 CC(C)CCC(=O)Cl TS05954 [0,0,0,0,1,0|1,0,0]=2 278 B7R0.6 CC(C)CCC(=O)O TS32208 [0,0,0,0,1,0|0,0,0]=1 279 B7R0.6 CC(C)CCC(C)C TS04511 [0,0,0,0,1,0|2,0,1]=4 280 B7R0.6 CC(C)CCC(C)N TS04558 [0,0,0,0,1,0|2,0,1]=4 281 B7R0.6 CC(C)CCC(C)O TS32237 [0,0,0,0,1,0|1,0,1]=3 282 B7R0.6 CC(C)CNC(=O)N TS04600 [0,0,0,0,1,0|2,0,0]=3 283 B7R0.6 CC(C)CNC(=S)N TS05782 [0,0,0,0,1,0|2,1,0]=4 284 B7R0.6 CC(C)COC(=O)C TS04598 [0,0,0,0,1,0|2,0,0]=3 285 B7R0.6 CC(C)COC(=O)Cl TS74510 [0,0,0,0,1,0|2,0,0]=3 286 B7R0.6 CC(C)COC(=O)N TS32285 [0,0,0,0,1,0|2,0,0]=3 287 B7R0.6 CC(C)CO[N+](=O)[O-] TS32375 [0,0,0,0,1,0|2,0,1]=4 288 B7R0.6 CC(C)OCC(=O)O TS04716 [0,0,0,0,1,0|1,0,0]=2 289 B7R0.6 CC(CCC(=C)C)O TS32103 [0,0,0,0,1,0|3,0,0]=4 290 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [0,0,0,0,1,0|2,0,0]=3 291 B7R0.6 CC(CCC(C)O)O TS04747 [0,0,0,0,1,0|2,0,1]=4 292 B7R0.6 CC(COC(=O)C)O TS32324 [0,0,0,0,1,0|3,0,0]=4 293 B7R0.6 C[S+](C)CCC(=O)O TS12940 [0,0,0,0,1,0|1,0,0]=2 294 B7R0.6 C[S+](C)CCC(=O)O TS21843 [0,0,0,0,1,0|1,0,0]=2 295 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [0,0,0,0,1,0|1,0,1]=3 296 B9R0.55 C(CC(=O)O)CNC(=N)N TS07093 [0,0,0,0,0,1|2,0,1]=4 297 B9R0.55 C(CC(=O)O)CNC(=O)N TS40378 [0,0,0,0,0,1|2,0,1]=4 298 B9R0.55 C(CCC(=O)O)CC(=O)O TS39878 [0,0,0,0,0,1|2,0,1]=4 299 B9R0.55 C(CCC(=O)O)CC(=O)O TS44512 [0,0,0,0,0,1|2,0,1]=4 300 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [0,0,0,0,0,1|1,0,1]=3 301 B9R0.55 CC(=O)NCCCC(=O)O TS40285 [0,0,0,0,0,1|1,0,1]=3 302 B9R0.55 CC(C)CCCCC(=O)O TS65177 [0,0,0,0,0,1|0,0,0]=1 303 B9R0.55 CC(C)CCCCC(C)C TS37668 [0,0,0,0,0,1|2,0,1]=4 304 B9R0.55 CC(C)COCCC(=O)C TS06991 [0,0,0,0,0,1|1,0,0]=2 305 B9R0.55 CC(C)OCCOC(=O)C TS40419 [0,0,0,0,0,1|2,0,0]=3 306 B9R0.55 CN(C)CCCCC(=O)O TS48163 [0,0,0,0,0,1|1,0,0]=2 307 B9R0.55 CN(C)CCCNC(=O)N TS07118 [0,0,0,0,0,1|2,0,0]=3 308 B9R0.55 CN(C)CCCSC(=N)N TS56443 [0,0,0,0,0,1|3,0,0]=4 309 B6R0.4 B(CCCC)(O)O TS94589 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.4 C#CCCC(=O)O TS03769 [2,0,0,0,0,0|0,0,2]=4 311 B6R0.4 C(CC(=O)Cl)CBr TS94813 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.4 C(CC(=O)Cl)CCl TS33157 [2,0,0,0,0,0|2,0,0]=4 313 B6R0.4 C(CC(=O)N)CN TS37256 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.4 C(CC(=O)O)C#N TS02729 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.4 C(CC(=O)O)C=O TS31586 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.4 C(CC(=O)O)CBr TS39744 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.4 C(CC(=O)O)CI TS44433 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.4 C(CC(=O)O)CN TS31643 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.4 C(CC(=O)[O-])CO TS01692 [2,0,0,0,0,0|1,0,1]=4 320 B6R0.4 C=CCCC(=O)O TS31497 [2,0,0,0,0,0|0,0,2]=4 321 B6R0.4 CC(=C)CCCO TS31523 [2,0,0,0,0,0|0,0,2]=4 322 B6R0.4 CC(=CCCO)C TS03867 [2,0,0,0,0,0|0,0,2]=4 323 B6R0.4 CC(=O)CCCCl TS03260 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.4 CC(=O)CCCO TS39779 [2,0,0,0,0,0|1,0,1]=4 325 B6R0.4 CC(=O)CCSC TS32359 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.4 CC(C)C=CC=O TS31437 [2,0,0,0,0,0|0,0,2]=4 327 B6R0.4 CC(C)CCC#C TS03732 [2,0,0,0,0,0|0,0,2]=4 328 B6R0.4 CC(C)CCC=C TS03801 [2,0,0,0,0,0|0,0,1]=3 329 B6R0.4 CC(C)CCC=O TS39767 [2,0,0,0,0,0|0,0,0]=2 330 B6R0.4 CC(C)CCCBr TS42858 [2,0,0,0,0,0|1,0,0]=3 331 B6R0.4 CC(C)CCCO TS03963 [2,0,0,0,0,0|0,0,0]=2 332 B6R0.4 CC(C)CCNC TS03922 [2,0,0,0,0,0|1,0,1]=4 333 B6R0.4 CC(C)COC=C TS31530 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.4 CC(C)COC=O TS03939 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.4 CC(C)CON=O TS03992 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.4 CC(C)NCCN TS03977 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.4 CC(C)NCCO TS04007 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.4 CC(C)OCCN TS39675 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.4 CC(C)OCCO TS04040 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.4 CC(C)SCC=C TS04640 [2,0,0,0,0,0|1,0,1]=4 341 B6R0.4 CC(C)SCCO TS32430 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.4 CC(CCC=C)Br TS11654 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.4 CC(CCC=C)O TS31524 [2,0,0,0,0,0|1,0,1]=4 344 B6R0.4 CC(CCCBr)Br TS52922 [2,0,0,0,0,0|2,0,0]=4 345 B6R0.4 CC(CCCO)O TS04032 [2,0,0,0,0,0|1,0,0]=3 346 B6R0.4 CC=CCC(C)C TS03790 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.4 CCC#CC(=O)O TS03759 [2,0,0,0,0,0|0,0,2]=4 348 B6R0.4 CCC=CC(=O)O TS03448 [2,0,0,0,0,0|0,0,2]=4 349 B6R0.4 CCC=CC(=O)O TS31503 [2,0,0,0,0,0|0,0,2]=4 350 B6R0.4 CCCCC(=C)C TS31452 [2,0,0,0,0,0|2,0,0]=4 351 B6R0.4 CCCCC(=O)Br TS42846 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.4 CCCCC(=O)C TS31529 [2,0,0,0,0,0|1,0,0]=3 353 B6R0.4 CCCCC(=O)Cl TS32451 [2,0,0,0,0,0|1,0,0]=3 354 B6R0.4 CCCCC(=O)N TS31554 [2,0,0,0,0,0|1,0,0]=3 355 B6R0.4 CCCCC(=O)O TS03958 [2,0,0,0,0,0|0,0,0]=2 356 B6R0.4 CCCCC(=O)[O-] TS04789 [2,0,0,0,0,0|0,0,1]=3 357 B6R0.4 CCCCC(=O)[O-] TS30457 [2,0,0,0,0,0|0,0,1]=3 358 B6R0.4 CCCCC(C)Br TS42855 [2,0,0,0,0,0|1,0,1]=4 359 B6R0.4 CCCCC(C)C TS03881 [2,0,0,0,0,0|0,0,1]=3 360 B6R0.4 CCCCC(C)Cl TS04843 [2,0,0,0,0,0|1,0,1]=4 361 B6R0.4 CCCCC(C)I TS44108 [2,0,0,0,0,0|1,0,1]=4 362 B6R0.4 CCCCC(C)N TS31565 [2,0,0,0,0,0|1,0,1]=4 363 B6R0.4 CCCCC(C)O TS31617 [2,0,0,0,0,0|1,0,1]=4 364 B6R0.4 CCCCN(C)C TS03927 [2,0,0,0,0,0|1,0,1]=4 365 B6R0.4 CCCC[C@@H](C)N TS03923 [2,0,0,0,0,0|1,0,1]=4 366 B6R0.4 CCCC[C@@H](C)O TS03965 [2,0,0,0,0,0|1,0,1]=4 367 B6R0.4 CCCC[C@H](C)N TS03919 [2,0,0,0,0,0|1,0,1]=4 368 B6R0.4 CCCC[C@H](C)O TS31613 [2,0,0,0,0,0|1,0,1]=4 369 B6R0.4 CCCC[N+](=O)[O-] TS31647 [2,0,0,0,0,0|1,0,1]=4 370 B6R0.4 CCCC[Si](C)C TS04645 [2,0,0,0,0,0|0,1,1]=4 371 B6R0.4 CCCC[Sn](=O)O TS43570 [2,0,0,0,0,0|1,0,0]=3 372 B6R0.4 CCCNC(=O)N TS31594 [2,0,0,0,0,0|2,0,0]=4 373 B6R0.4 CCCNC(=O)[O-] TS31634 [2,0,0,0,0,0|1,0,1]=4 374 B6R0.4 CCCNC(C)C TS03926 [2,0,0,0,0,0|1,0,1]=4 375 B6R0.4 CCCOC(=O)C TS03949 [2,0,0,0,0,0|2,0,0]=4 376 B6R0.4 CCCOC(=O)Cl TS55808 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.4 CCCSC(=O)C TS32364 [2,0,0,0,0,0|2,0,0]=4 378 B6R0.4 CCCSC(=O)Cl TS06329 [2,0,0,0,0,0|2,0,0]=4 379 B6R0.4 CCCSC(C)C TS32368 [2,0,0,0,0,0|1,0,1]=4 380 B6R0.4 CCNCC(=O)O TS01936 [2,0,0,0,0,0|1,0,0]=3 381 B6R0.4 CCOCC(=O)O TS16814 [2,0,0,0,0,0|1,0,0]=3 382 B6R0.4 CCOCC(C)C TS03959 [2,0,0,0,0,0|1,0,1]=4 383 B6R0.4 CCSCC(=O)C TS32360 [2,0,0,0,0,0|2,0,0]=4 384 B6R0.4 CCSCC(=O)O TS04822 [2,0,0,0,0,0|1,0,0]=3 385 B6R0.4 CCSCC(C)C TS04752 [2,0,0,0,0,0|1,0,1]=4 386 B6R0.4 CN(C)CCCN TS39904 [2,0,0,0,0,0|2,0,0]=4 387 B6R0.4 CN(C)CCCO TS03999 [2,0,0,0,0,0|1,0,0]=3 388 B6R0.4 CNCCC(=O)O TS03990 [2,0,0,0,0,0|1,0,0]=3 389 B6R0.4 COCCC(=O)O TS31660 [2,0,0,0,0,0|1,0,0]=3 390 B6R0.4 C[C@@H](CCC=C)O TS03860 [2,0,0,0,0,0|1,0,1]=4 391 B6R0.6 C(CC=O)CC=O TS03842 [2,0,0,0,0,0|1,0,1]=4 392 B6R0.6 C(CC=O)CC=O TS38555 [2,0,0,0,0,0|1,0,1]=4 393 B6R0.6 C(CCCl)CC=O TS32450 [2,0,0,0,0,0|1,0,0]=3 394 B6R0.6 C(CCN)CCO TS04006 [2,0,0,0,0,0|1,0,1]=4 395 B6R0.6 C(CCO)CC=O TS03340 [2,0,0,0,0,0|1,0,0]=3 396 B6R0.6 C(CCO)CCBr TS09812 [2,0,0,0,0,0|1,0,1]=4 397 B6R0.6 C(CCO)CCCl TS71520 [2,0,0,0,0,0|1,0,1]=4 398 B6R0.6 C(CCO)CCO TS46820 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.6 C(COCC=O)O TS31664 [2,0,0,0,0,0|2,0,0]=4 400 B6R0.6 C=CCCCCBr TS33003 [2,0,0,0,0,0|2,0,0]=4 401 B6R0.6 C=CCCCCCl TS04773 [2,0,0,0,0,0|2,0,0]=4 402 B6R0.6 C=CCCCCN TS03830 [2,0,0,0,0,0|2,0,0]=4 403 B6R0.6 C=CCCCCO TS71562 [2,0,0,0,0,0|2,0,0]=4 404 B6R0.6 CCC=CCC=O TS31443 [2,0,0,0,0,0|0,0,2]=4 405 B6R0.6 CCCC=CC=O TS31421 [2,0,0,0,0,0|0,0,2]=4 406 B6R0.6 CCCC=CC=O TS31438 [2,0,0,0,0,0|0,0,2]=4 407 B6R0.6 CCCC=CC=O TS31444 [2,0,0,0,0,0|0,0,2]=4 408 B6R0.6 CCCCC=CBr TS11653 [2,0,0,0,0,0|1,0,1]=4 409 B6R0.6 CCCCC=CC TS03803 [2,0,0,0,0,0|1,0,1]=4 410 B6R0.6 CCCCCC#C TS03726 [2,0,0,0,0,0|1,0,1]=4 411 B6R0.6 CCCCCC#N TS31405 [2,0,0,0,0,0|1,0,1]=4 412 B6R0.6 CCCCCC=C TS31453 [2,0,0,0,0,0|1,0,0]=3 413 B6R0.6 CCCCCC=O TS39877 [2,0,0,0,0,0|0,0,0]=2 414 B6R0.6 CCCCCCBr TS00036 [2,0,0,0,0,0|1,0,1]=4 415 B6R0.6 CCCCCCC TS03885 [2,0,0,0,0,0|1,0,1]=4 416 B6R0.6 CCCCCCCl TS04842 [2,0,0,0,0,0|1,0,1]=4 417 B6R0.6 CCCCCCF TS31676 [2,0,0,0,0,0|1,0,1]=4 418 B6R0.6 CCCCCCI TS93973 [2,0,0,0,0,0|1,0,1]=4 419 B6R0.6 CCCCCCN TS31561 [2,0,0,0,0,0|1,0,1]=4 420 B6R0.6 CCCCCCN TS37145 [2,0,0,0,0,0|1,0,1]=4 421 B6R0.6 CCCCCCO TS39881 [2,0,0,0,0,0|0,0,1]=3 422 B6R0.6 CCCCCCS TS04753 [2,0,0,0,0,0|0,1,1]=4 423 B6R0.6 CCCCCC[SiH3] TS04643 [2,0,0,0,0,0|1,0,1]=4 424 B6R0.6 CCCCCC[Zn+] TS24970 [2,0,0,0,0,0|1,0,1]=4 425 B6R0.6 CCCCCNC TS03916 [2,0,0,0,0,0|2,0,0]=4 426 B6R0.6 CCCCCNN TS06331 [2,0,0,0,0,0|2,0,0]=4 427 B6R0.6 CCCCCSC TS04750 [2,0,0,0,0,0|2,0,0]=4 428 B6R0.6 CCCCC[Mg]Cl TS36578 [2,0,0,0,0,0|2,0,0]=4 429 B6R0.6 CCCCN=C=O TS93082 [2,0,0,0,0,0|1,0,1]=4 430 B6R0.6 CCCCNC=O TS03902 [2,0,0,0,0,0|1,0,0]=3 431 B6R0.6 CCCCOC=C TS33237 [2,0,0,0,0,0|2,0,0]=4 432 B6R0.6 CCCCOC=O TS03954 [2,0,0,0,0,0|1,0,0]=3 433 B6R0.6 CCCCON=O TS31645 [2,0,0,0,0,0|2,0,0]=4 434 B6R0.6 CCCCS[SnH]=O TS23939 [2,0,0,0,0,0|2,0,0]=4 435 B6R0.6 CCCNCCO TS04001 [2,0,0,0,0,0|1,0,1]=4 436 B6R0.6 CCCSCC=C TS04636 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.6 CCCSCCO TS32433 [2,0,0,0,0,0|1,0,1]=4 438 B6R0.6 CCOCCCO TS04028 [2,0,0,0,0,0|1,0,1]=4 439 B6R0.6 CCSCCCO TS32432 [2,0,0,0,0,0|1,0,1]=4 440 B6R0.6 COCCCCO TS07977 [2,0,0,0,0,0|1,0,1]=4 441 B6R0.6 CSCCCCO TS32429 [2,0,0,0,0,0|1,0,1]=4 442 B6R0.6 [Li]CCCCCC TS03654 [2,0,0,0,0,0|1,0,1]=4 443 B8R0.5 C#CC[C@@H](CC(=O)O)N TS11763 [1,1,0,0,0,0|0,0,2]=4 444 B8R0.5 C=CC[C@@H](CC(=O)O)N TS42977 [1,1,0,0,0,0|0,0,2]=4 445 B8R0.5 C=CC[C@H](CC(=O)O)N TS42972 [1,1,0,0,0,0|0,0,2]=4 446 B8R0.5 CCCC(=CC(=O)O)C TS36312 [1,1,0,0,0,0|0,0,2]=4 447 B8R0.5 CCCC(C)CC(=C)C TS36185 [1,1,0,0,0,0|2,0,0]=4 448 B8R0.5 CCCC(C)CC(=O)C TS05394 [1,1,0,0,0,0|1,0,0]=3 449 B8R0.5 CCCC(C)CC(=O)O TS05545 [1,1,0,0,0,0|0,0,0]=2 450 B8R0.5 CCCC(C)CC(C)C TS05407 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.5 CCCC(C)CC(C)O TS05587 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.5 CCCC(C)OC(=O)C TS05542 [1,1,0,0,0,0|2,0,0]=4 453 B8R0.5 CCCC(CC(C)C)O TS36545 [1,1,0,0,0,0|1,0,1]=4 454 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [1,1,0,0,0,0|0,0,0]=2 455 B8R0.5 CCOC(=O)CC(=O)O TS39886 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.6 C(CCO)CC(CO)O TS05901 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.6 CCC(C)CCCCO TS36535 [1,1,0,0,0,0|0,0,1]=3 458 B8R0.6 CCCC#CC(=O)OC TS05154 [1,1,0,0,0,0|0,0,2]=4 459 B8R0.6 CCCC=CC(=O)OC TS36302 [1,1,0,0,0,0|0,0,2]=4 460 B8R0.6 CCCCCC(=O)C=C TS05201 [1,1,0,0,0,0|1,0,0]=3 461 B8R0.6 CCCCCC(=O)CC TS36343 [1,1,0,0,0,0|1,0,0]=3 462 B8R0.6 CCCCCC(=O)NO TS05662 [1,1,0,0,0,0|0,0,0]=2 463 B8R0.6 CCCCCC(=O)OC TS36499 [1,1,0,0,0,0|0,0,0]=2 464 B8R0.6 CCCCCC(C#C)O TS05191 [1,1,0,0,0,0|1,0,1]=4 465 B8R0.6 CCCCCC(C)CC TS05415 [1,1,0,0,0,0|1,0,1]=4 466 B8R0.6 CCCCCC(C)CO TS36542 [1,1,0,0,0,0|1,0,1]=4 467 B8R0.6 CCCCCC(C=C)O TS36349 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.6 CCCCCC(CC)O TS36536 [1,1,0,0,0,0|1,0,1]=4 469 B8R0.6 CCCCCC(CO)O TS05756 [1,1,0,0,0,0|0,0,2]=4 470 B8R0.6 CCCCCN(C)N=O TS36525 [1,1,0,0,0,0|2,0,0]=4 471 B8R0.6 CCCCC[C@@H](C#C)O TS36148 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [1,1,0,0,0,0|1,0,1]=4 473 B8R0.6 CCCCNC(=O)C=C TS05274 [1,1,0,0,0,0|2,0,0]=4 474 B8R0.6 CCCCNC(=O)CC TS36435 [1,1,0,0,0,0|2,0,0]=4 475 B8R0.6 CCCCNC(=O)CCl TS40802 [1,1,0,0,0,0|2,0,0]=4 476 B8R0.6 CCCCNC(=O)OC TS36586 [1,1,0,0,0,0|1,0,0]=3 477 B8R0.6 CCCCOC(=O)C#C TS05149 [1,1,0,0,0,0|2,0,0]=4 478 B8R0.6 CCCCOC(=O)C=C TS36291 [1,1,0,0,0,0|2,0,0]=4 479 B8R0.6 CCCCOC(=O)C=O TS36470 [1,1,0,0,0,0|1,0,1]=4 480 B8R0.6 CCCCOC(=O)CC TS05554 [1,1,0,0,0,0|2,0,0]=4 481 B8R0.6 CCCCOC(=O)CCl TS09968 [1,1,0,0,0,0|2,0,0]=4 482 B8R0.6 CCCCOC(=O)CF TS05889 [1,1,0,0,0,0|2,0,0]=4 483 B8R0.6 CCCCOC(=O)CN TS12446 [1,1,0,0,0,0|2,0,0]=4 484 B8R0.6 CCCCOC(=O)CO TS05729 [1,1,0,0,0,0|1,0,0]=3 485 B8R0.6 CCCCOC(=O)CS TS07490 [1,1,0,0,0,0|1,1,0]=4 486 B8R0.6 CCSCCC(=O)OC TS07487 [1,1,0,0,0,0|1,0,0]=3 487 B8R0.6 CC[C@H](C)CCCCO TS05594 [1,1,0,0,0,0|0,0,1]=3 488 B8R0.6 COC(=O)CCCC#C TS36125 [1,1,0,0,0,0|0,0,2]=4 489 B8R0.6 COC(=O)CCCC=C TS36304 [1,1,0,0,0,0|0,0,2]=4 490 B8R0.6 COC(=O)CCCC=O TS85464 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.6 COC(=O)CCCCBr TS51950 [1,1,0,0,0,0|1,0,0]=3 492 B8R0.6 COC(=O)CCCCCl TS09970 [1,1,0,0,0,0|1,0,0]=3 493 B8R0.7 B(CCCCCC)(O)O TS32717 [1,1,0,0,0,0|1,0,1]=4 494 B8R0.7 C#CCCCCC(=O)O TS05162 [1,1,0,0,0,0|0,0,1]=3 495 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [1,1,0,0,0,0|1,0,0]=3 496 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [1,1,0,0,0,0|1,0,0]=3 497 B8R0.7 C(CCC(=O)N)CCBr TS17766 [1,1,0,0,0,0|1,0,0]=3 498 B8R0.7 C(CCC(=O)N)CCN TS93750 [1,1,0,0,0,0|1,0,0]=3 499 B8R0.7 C(CCC(=O)O)CCBr TS55559 [1,1,0,0,0,0|0,0,0]=2 500 B8R0.7 C(CCC(=O)O)CCCl TS09966 [1,1,0,0,0,0|0,0,0]=2 501 B8R0.7 C(CCC(=O)O)CCN TS33197 [1,1,0,0,0,0|0,0,0]=2 502 B8R0.7 C(CCC(=O)O)CCN TS94650 [1,1,0,0,0,0|0,0,0]=2 503 B8R0.7 C(CCC(=O)O)CCO TS55607 [1,1,0,0,0,0|0,0,0]=2 504 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [1,1,0,0,0,0|2,0,0]=4 505 B8R0.7 C(CCON)CC(=O)O TS44444 [1,1,0,0,0,0|1,0,0]=3 506 B8R0.7 C=CCCCCC(=O)O TS36303 [1,1,0,0,0,0|0,0,1]=3 507 B8R0.7 C=CCOCCC(=O)O TS05525 [1,1,0,0,0,0|0,0,2]=4 508 B8R0.7 CC(=O)NCCCCN TS43167 [1,1,0,0,0,0|2,0,0]=4 509 B8R0.7 CC(=O)OCCCCBr TS17993 [1,1,0,0,0,0|2,0,0]=4 510 B8R0.7 CC(=O)OCCCCI TS26787 [1,1,0,0,0,0|2,0,0]=4 511 B8R0.7 CC(=O)OCCCSC TS07491 [1,1,0,0,0,0|2,0,0]=4 512 B8R0.7 CC(C)CCCCCBr TS51602 [1,1,0,0,0,0|1,0,1]=4 513 B8R0.7 CC(C)CCCCCN TS05491 [1,1,0,0,0,0|1,0,1]=4 514 B8R0.7 CC(C)COCCCN TS36620 [1,1,0,0,0,0|1,0,1]=4 515 B8R0.7 CC(C)NCCCCO TS93789 [1,1,0,0,0,0|0,0,1]=3 516 B8R0.7 CC(C)OCCC[N+]#[C-] TS05282 [1,1,0,0,0,0|2,0,0]=4 517 B8R0.7 CC=CCNCC(=O)O TS36417 [1,1,0,0,0,0|0,0,2]=4 518 B8R0.7 CCCC=CCC(=O)O TS36290 [1,1,0,0,0,0|0,0,1]=3 519 B8R0.7 CCCCC#CC(=O)O TS36120 [1,1,0,0,0,0|0,0,1]=3 520 B8R0.7 CCCCC=CC(=O)C TS05179 [1,1,0,0,0,0|1,0,1]=4 521 B8R0.7 CCCCC=CC(=O)Cl TS07286 [1,1,0,0,0,0|1,0,1]=4 522 B8R0.7 CCCCC=CC(=O)O TS05335 [1,1,0,0,0,0|0,0,1]=3 523 B8R0.7 CCCCCCC(=O)C TS36325 [1,1,0,0,0,0|1,0,0]=3 524 B8R0.7 CCCCCCC(=O)Cl TS07515 [1,1,0,0,0,0|1,0,0]=3 525 B8R0.7 CCCCCCC(=O)N TS36432 [1,1,0,0,0,0|1,0,0]=3 526 B8R0.7 CCCCCCC(=O)O TS05558 [1,1,0,0,0,0|0,0,0]=2 527 B8R0.7 CCCCCCC(=O)[O-] TS10169 [1,1,0,0,0,0|0,0,1]=3 528 B8R0.7 CCCCCCC(C)C TS05423 [1,1,0,0,0,0|1,0,1]=4 529 B8R0.7 CCCCCCC(C)O TS05590 [1,1,0,0,0,0|1,0,1]=4 530 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,1,0,0,0,0|1,0,1]=4 531 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,1,0,0,0,0|1,0,1]=4 532 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [1,1,0,0,0,0|1,0,1]=4 533 B8R0.7 CCCCCOC(=O)C TS05568 [1,1,0,0,0,0|1,0,0]=3 534 B8R0.7 CCCCCOC(=O)Cl TS59753 [1,1,0,0,0,0|1,0,0]=3 535 B8R0.7 CCCCCON(=O)=O TS05817 [1,1,0,0,0,0|1,0,1]=4 536 B8R0.7 CCCCOCC(=O)O TS05720 [1,1,0,0,0,0|0,0,0]=2 537 B8R0.7 CCCCOCC(C)O TS05758 [1,1,0,0,0,0|1,0,1]=4 538 B8R0.7 CCOCCOC(=O)C TS05728 [1,1,0,0,0,0|2,0,0]=4 539 B8R0.7 CCOCCOC(=O)Cl TS10247 [1,1,0,0,0,0|2,0,0]=4 540 B8R0.7 CN(C)CCOCCO TS05833 [1,1,0,0,0,0|1,0,1]=4 541 B8R0.7 COCCOCC(=O)O TS08222 [1,1,0,0,0,0|1,0,0]=3 542 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [1,1,0,0,0,0|1,0,0]=3 543 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [1,1,0,0,0,0|1,0,0]=3 544 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [1,1,0,0,0,0|1,0,0]=3 545 B8R0.8 C(CON)C(C(=O)O)N TS39138 [1,1,0,0,0,0|2,0,0]=4 546 B8R0.8 C(CON)[C@@H](C(=O)O)N TS36804 [1,1,0,0,0,0|2,0,0]=4 547 B8R0.8 C(CON)[C@H](C(=O)O)N TS36805 [1,1,0,0,0,0|2,0,0]=4 548 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [1,1,0,0,0,0|1,0,0]=3 550 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [1,1,0,0,0,0|1,0,0]=3 551 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [1,1,0,0,0,0|1,0,0]=3 552 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [1,1,0,0,0,0|1,0,0]=3 553 B8R0.8 CCCC=C(C)C(=O)O TS36301 [1,1,0,0,0,0|0,0,2]=4 554 B8R0.8 CCCCC(=O)C(=O)C TS05337 [1,1,0,0,0,0|1,0,1]=4 555 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [1,1,0,0,0,0|0,0,2]=4 556 B8R0.8 CCCCC(C(=C)C)O TS36338 [1,1,0,0,0,0|2,0,0]=4 557 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [1,1,0,0,0,0|1,0,0]=3 558 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [1,1,0,0,0,0|1,0,0]=3 559 B8R0.8 CCCCC(C(=O)N)N TS43162 [1,1,0,0,0,0|1,0,0]=3 560 B8R0.8 CCCCC(C(=O)O)Br TS51947 [1,1,0,0,0,0|0,0,0]=2 561 B8R0.8 CCCCC(C(=O)O)N TS05663 [1,1,0,0,0,0|0,0,0]=2 562 B8R0.8 CCCCC(C(=O)O)O TS05717 [1,1,0,0,0,0|0,0,0]=2 563 B8R0.8 CCCCC(C(C)C)O TS05585 [1,1,0,0,0,0|1,0,1]=4 564 B8R0.8 CCCCC(C)C(=O)C TS05385 [1,1,0,0,0,0|1,0,0]=3 565 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [1,1,0,0,0,0|1,0,0]=3 566 B8R0.8 CCCCC(C)C(=O)O TS05567 [1,1,0,0,0,0|0,0,0]=2 567 B8R0.8 CCCCC(C)C(C)C TS05429 [1,1,0,0,0,0|1,0,1]=4 568 B8R0.8 CCCCC(C)C(C)O TS05586 [1,1,0,0,0,0|1,0,1]=4 569 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [1,1,0,0,0,0|1,0,0]=3 570 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [1,1,0,0,0,0|0,0,0]=2 571 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [1,1,0,0,0,0|0,0,0]=2 572 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [1,1,0,0,0,0|1,0,0]=3 573 B8R0.8 CSCCC(C(=O)O)N TS37819 [1,1,0,0,0,0|1,0,0]=3 574 B8R0.8 CSCCC(C(=O)O)N TS61974 [1,1,0,0,0,0|1,0,0]=3 575 B8R0.8 CSCCC(C(=O)O)O TS65052 [1,1,0,0,0,0|1,0,0]=3 576 B8R0.8 CSCCC(C(=O)[O-])O TS78392 [1,1,0,0,0,0|1,0,1]=4 577 B8R0.8 CSCC[C@@H](C(=O)N)N TS07498 [1,1,0,0,0,0|2,0,0]=4 578 B8R0.8 CSCC[C@@H](C(=O)N)N TS15401 [1,1,0,0,0,0|2,0,0]=4 579 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [1,1,0,0,0,0|1,0,0]=3 580 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [1,1,0,0,0,0|1,0,0]=3 581 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [1,1,0,0,0,0|1,0,0]=3 582 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [1,1,0,0,0,0|1,0,0]=3 583 B8R0.8 CSCC[C@H](C(=O)[O-])N TS12996 [1,1,0,0,0,0|1,0,1]=4 584 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [1,1,0,0,0,0|1,0,0]=3 585 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [1,1,0,0,0,0|1,0,0]=3 586 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [1,1,0,0,0,0|1,0,0]=3 587 B8R0.9 C(CC(=O)O)C(=O)CN TS43267 [1,1,0,0,0,0|1,0,1]=4 588 B8R0.9 C(CC(=O)O)C(=O)CN TS71377 [1,1,0,0,0,0|1,0,1]=4 589 B8R0.9 CC(C)CCC(=NO)C TS36423 [1,1,0,0,0,0|1,0,1]=4 590 B8R0.9 CC(C)NCC(CO)O TS05837 [1,1,0,0,0,0|1,0,1]=4 591 B8R0.9 CC(C)NC[C@@H](CO)O TS05843 [1,1,0,0,0,0|1,0,1]=4 592 B8R0.9 CC(C)NC[C@H](CO)O TS05842 [1,1,0,0,0,0|1,0,1]=4 593 B8R0.9 CCC(C)CCC(=O)C TS05381 [1,1,0,0,0,0|1,0,0]=3 594 B8R0.9 CCC(C)CCC(=O)O TS36505 [1,1,0,0,0,0|0,0,0]=2 595 B8R0.9 CCC(C)CCC(C)C TS05428 [1,1,0,0,0,0|1,0,1]=4 596 B8R0.9 CCC(C)CCC(C)O TS36529 [1,1,0,0,0,0|1,0,1]=4 597 B8R0.9 CCC(C)COC(=O)C TS01135 [1,1,0,0,0,0|2,0,0]=4 598 B8R0.9 CCC(CCC(C)C)O TS05596 [1,1,0,0,0,0|1,0,1]=4 599 B8R0.9 CNC(=O)CCC(=O)O TS05642 [1,1,0,0,0,0|1,0,1]=4 600 B8R0.21 CC(C)(C)CCCCO TS36552 [1,1,0,0,0,0|0,0,1]=3 601 B8R0.21 CC(C)(CNCCO)N TS36702 [1,1,0,0,0,0|1,0,1]=4 602 B8R0.21 CCCCCC(C)(C)C TS05417 [1,1,0,0,0,0|1,0,1]=4 603 B8R0.21 CCCCCC(C)(C)O TS05593 [1,1,0,0,0,0|1,0,1]=4 604 B8R0.21 CCCCCS(=O)(=O)[O-] TS51443 [1,1,0,0,0,0|1,0,1]=4 605 B8R0.21 CCCCOP(=O)(O)O TS10382 [1,1,0,0,0,0|2,0,0]=4 606 B8R0.23 CC(C)C(CC(=C)C)O TS05395 [0,1,0,0,1,0|2,0,0]=4 607 B8R0.23 CC(C)C(CC(=O)O)N TS36592 [0,1,0,0,1,0|0,0,0]=2 608 B8R0.23 CC(C)C(OC(=O)Cl)Cl TS12955 [0,1,0,0,1,0|2,0,0]=4 609 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,1,0,0,1,0|0,0,2]=4 610 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,1,0,0,1,0|1,0,1]=4 611 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,1,0,0,1,0|0,0,1]=3 612 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,1,0,0,1,0|0,0,2]=4 613 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,1,0,0,1,0|0,0,2]=4 614 B8R0.23 CC(C)CC(C(=O)N)N TS43163 [0,1,0,0,1,0|1,0,0]=3 615 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,1,0,0,1,0|0,0,0]=2 616 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,1,0,0,1,0|0,0,0]=2 617 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,1,0,0,1,0|0,0,0]=2 618 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,1,0,0,1,0|0,0,0]=2 619 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,1,0,0,1,0|0,0,0]=2 620 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS36522 [0,1,0,0,1,0|1,0,0]=3 621 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS43161 [0,1,0,0,1,0|1,0,0]=3 622 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,1,0,0,1,0|0,0,0]=2 623 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,1,0,0,1,0|0,0,0]=2 624 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,1,0,0,1,0|0,0,0]=2 625 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,1,0,0,1,0|0,0,0]=2 626 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,1,0,0,1,0|0,0,0]=2 627 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,1,0,0,1,0|0,0,0]=2 628 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,1,0,0,1,0|0,0,0]=2 629 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,1,0,0,1,0|0,0,0]=2 630 B8R0.23 CC(C)C[C@H](C(=O)N)N TS43166 [0,1,0,0,1,0|1,0,0]=3 631 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,1,0,0,1,0|0,0,0]=2 632 B8R0.23 CC(C)[C@@H](CC(=O)O)N TS36595 [0,1,0,0,1,0|0,0,0]=2 633 B8R0.23 CC(C)[C@H](CC(=O)O)N TS36600 [0,1,0,0,1,0|0,0,0]=2 634 B8R0.23 CC(CC(=O)C)C(=O)O TS05533 [0,1,0,0,1,0|1,0,1]=4 635 B8R0.23 CC(CC(=O)O)C(=O)C TS05531 [0,1,0,0,1,0|1,0,1]=4 636 B8R0.23 CC(CN(C)C)C(=O)C TS05484 [0,1,0,0,1,0|2,0,0]=4 637 B8R0.23 CN(C)C[C@@H](C(=O)O)N TS36673 [0,1,0,0,1,0|1,0,0]=3 638 B8R0.23 CN(C)C[C@H](C(=O)O)N TS36670 [0,1,0,0,1,0|1,0,0]=3 639 B8R0.23 CS(=O)C[C@@H](C(=O)O)N TS10058 [0,1,0,0,1,0|2,0,0]=4 640 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O TS45051 [0,1,0,0,1,0|1,0,0]=3 641 B8R0.29 C(CC(Cl)(Cl)Cl)C(=O)O TS17363 [0,1,0,0,1,0|2,0,0]=4 642 B8R0.29 C(CC(F)(F)Br)C(=O)O TS38364 [0,1,0,0,1,0|2,0,0]=4 643 B8R0.29 C(CC(F)(F)F)C(=O)O TS09547 [0,1,0,0,1,0|2,0,0]=4 644 B8R0.29 CC(C)(C)CCC(=O)O TS36497 [0,1,0,0,1,0|0,0,0]=2 645 B8R0.29 CC(C)(C)NCC(=O)O TS65250 [0,1,0,0,1,0|1,0,0]=3 646 B8R0.29 CC(C)(C)NCC(=O)[O-] TS65251 [0,1,0,0,1,0|1,0,1]=4 647 B8R0.29 CC(C)(C)OCC(=O)O TS36657 [0,1,0,0,1,0|1,0,0]=3 648 B8R0.29 CC(C)(CNC(=O)N)N TS05676 [0,1,0,0,1,0|2,0,0]=4 649 B8R0.29 CC(C)CCC(C)(C)O TS05600 [0,1,0,0,1,0|1,0,1]=4 650 B8R0.29 CC(C)COP(=O)(C)O TS41098 [0,1,0,0,1,0|2,0,0]=4 651 B8R0.29 C[Si](C)(C)CCC(=O)O TS40471 [0,1,0,0,1,0|0,1,0]=3 652 B8R0.29 C[Si](C)(C)CCC(=O)[O-] TS12576 [0,1,0,0,1,0|0,1,1]=4 653 B10R0.15 C[Si](C)(C)CCSCC(=O)O TS17562 [0,1,0,0,0,1|0,1,0]=3 654 B10R0.55 CC(C)COCNC(=O)C=C TS10876 [0,1,0,0,0,1|2,0,0]=4 655 B10R0.55 CN(C)CCCNC(=O)C=C TS10734 [0,1,0,0,0,1|2,0,0]=4 656 B10R0.55 CN(C)CCCOC(=O)C=C TS10857 [0,1,0,0,0,1|2,0,0]=4 657 B10R0.96 CC(=O)CC(=O)CCC(=O)O TS10957 [0,1,0,0,0,1|1,0,1]=4 658 B10R0.96 CC(C)CC(=O)NCC(=O)O TS11121 [0,1,0,0,0,1|0,0,1]=3 659 B10R0.96 CC(C)COC(=O)CC(=O)C TS41891 [0,1,0,0,0,1|1,0,1]=4 660 B10R0.96 CC(C)OC(=O)CCC(=O)O TS11228 [0,1,0,0,0,1|0,0,1]=3 661 B10R0.96 CN(C)NC(=O)CCC(=O)O TS11240 [0,1,0,0,0,1|1,0,1]=4 662 B10R0.98 CC(C)CCOC(=O)C(=O)C TS41906 [0,1,0,0,0,1|1,0,1]=4 663 B10R0.98 C[C@@H](C(=O)NCCC(=O)O)N TS11239 [0,1,0,0,0,1|1,0,1]=4 664 B10R0.98 C[C@H](C(=O)NCCC(=O)O)N TS11230 [0,1,0,0,0,1|1,0,1]=4 665 B10R0.3 CC(C)CCCC(C)CCO TS11067 [0,2,0,0,0,0|1,0,1]=4 666 B10R0.3 CCCC(=O)OCCC(C)C TS11021 [0,2,0,0,0,0|2,0,0]=4 667 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [0,2,0,0,0,0|2,0,0]=4 668 B10R0.3 CCOC(=O)C=CCC(C)C TS10726 [0,2,0,0,0,0|0,0,2]=4 669 B10R0.3 CCOC(=O)CCCC(=C)C TS41658 [0,2,0,0,0,0|0,0,2]=4 670 B10R0.3 CCOC(=O)CCCC(=O)C TS41896 [0,2,0,0,0,0|1,0,1]=4 671 B10R0.3 CCOC(=O)CCCC(=O)O TS11210 [0,2,0,0,0,0|1,0,1]=4 672 B10R0.3 CCOC(=O)CCNC(C)C TS93397 [0,2,0,0,0,0|1,0,0]=3 673 B10R0.44 CC(C)CC(=O)CC(=O)OC TS41899 [0,2,0,0,0,0|0,0,1]=3 674 B10R0.44 CC(C)C[C@@H](CC(=C)C=C)O TS41424 [0,2,0,0,0,0|2,0,0]=4 675 B10R0.44 C[C@H](CC(=O)O)CC(=O)OC TS11225 [0,2,0,0,0,0|1,0,1]=4 676 B10R0.57 COC(=O)[C@H](CCC(=O)O)N TS42276 [0,2,0,0,0,0|1,0,1]=4 677 B10R0.59 CC(CCOC(=O)C=C)OC TS41907 [0,2,0,0,0,0|2,0,0]=4 678 B10R0.59 COC(=O)CCCC(=O)OC TS42128 [0,2,0,0,0,0|1,0,1]=4 679 B10R0.60 CC(C)(CCCC(=C)C=C)O TS11065 [0,2,0,0,0,0|2,0,0]=4 680 B10R0.60 CC(C)(CCCC(=C)C=C)O TS41421 [0,2,0,0,0,0|2,0,0]=4 681 B10R0.60 CC=C(C)CCCC(C)(C)O TS41679 [0,2,0,0,0,0|2,0,0]=4 682 B10R0.60 C[N+](C)(C)CCCC(=O)OC TS53580 [0,2,0,0,0,0|1,0,0]=3 683 B10R0.65 CC(=O)OCCC(C)(C)OC TS11272 [0,2,0,0,0,0|2,0,0]=4 684 B10R0.65 CC(C)CCCC(C)(C=C)O TS10770 [0,2,0,0,0,0|1,0,1]=4 685 B10R0.65 CCC(C)(C)CCCC(=O)O TS11017 [0,2,0,0,0,0|0,0,0]=2 686 B10R0.65 CCC(C)(CCCC(C)C)O TS16820 [0,2,0,0,0,0|1,0,1]=4 687 B10R0.77 CCN(CC)CCCC(=O)C TS10893 [0,2,0,0,0,0|2,0,0]=4 688 B10R0.82 C(CC(C(=O)O)N)C(CN)F TS19122 [0,2,0,0,0,0|1,0,0]=3 689 B10R0.82 C(CC(C(=O)O)N)C(CN)O TS54122 [0,2,0,0,0,0|1,0,0]=3 690 B10R0.82 C(C[C@@H](C(=O)O)N)[C@H](CN)O TS11550 [0,2,0,0,0,0|1,0,0]=3 691 B10R0.82 CCS(=O)CCC(C(=O)O)N TS47765 [0,2,0,0,0,0|2,0,0]=4 692 B10R0.82 COC(=O)CCC(C(=O)O)N TS42274 [0,2,0,0,0,0|1,0,1]=4 693 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N TS42268 [0,2,0,0,0,0|1,0,1]=4 694 B10R0.82 COC(=O)CC[C@H](C(=O)O)N TS42269 [0,2,0,0,0,0|1,0,1]=4 695 B10R0.92 C(CC(F)(F)F)[C@@H](C(=O)O)N TS45265 [0,2,0,0,0,0|2,0,0]=4 696 B10R0.92 CC(C)(C)OC[C@@H](C(=O)O)N TS08539 [0,2,0,0,0,0|1,0,0]=3 697 B10R0.92 CC(C)(C)OC[C@H](C(=O)N)N TS46609 [0,2,0,0,0,0|2,0,0]=4 698 B10R0.92 CC(C)(C)OC[C@H](C(=O)O)N TS11396 [0,2,0,0,0,0|1,0,0]=3 699 B10R0.92 CC(C)(C)SC[C@@H](C(=O)O)N TS14084 [0,2,0,0,0,0|1,0,0]=3 700 B10R0.92 CC(C)(C)SC[C@@H](C(=O)O)N TS44424 [0,2,0,0,0,0|1,0,0]=3 701 B10R0.92 CC(C)(C)SC[C@H](C(=O)O)N TS14082 [0,2,0,0,0,0|1,0,0]=3 702 B10R0.92 CC(C)(C)SC[C@H](C(=O)O)N TS44423 [0,2,0,0,0,0|1,0,0]=3 703 B10R0.92 CP(=O)(CCC(C(=O)O)N)O TS18578 [0,2,0,0,0,0|2,0,0]=4 704 B10R0.92 CS(=N)(=O)CCC(C(=O)O)N TS14633 [0,2,0,0,0,0|2,0,0]=4 705 B10R0.92 CS(=N)(=O)CC[C@@H](C(=O)O)N TS14632 [0,2,0,0,0,0|2,0,0]=4 706 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N TS14791 [0,2,0,0,0,0|2,0,0]=4 707 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N TS14792 [0,2,0,0,0,0|2,0,0]=4 708 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N TS14790 [0,2,0,0,0,0|2,0,0]=4 709 B10R0.31 CC(C)(C)CC(CC(=O)O)N TS11173 [0,2,0,0,0,0|0,0,0]=2 710 B10R0.31 CC(C)(C)OC(=O)CC(=O)O TS11209 [0,2,0,0,0,0|1,0,1]=4 711 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C TS46203 [0,2,0,0,0,0|1,0,0]=3 712 B10R0.31 CC(CC(=O)O)CC(C)(C)C TS41942 [0,2,0,0,0,0|0,0,0]=2 713 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O TS59532 [0,2,0,0,0,0|1,0,0]=3 714 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O TS59543 [0,2,0,0,0,0|1,0,1]=4 715 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O TS59544 [0,2,0,0,0,0|1,0,1]=4 716 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O TS93739 [0,2,0,0,0,0|1,0,1]=4 717 B10R0.31 C[N+](C)(C)C[C@@H](CC(=O)[O-])O TS93999 [0,2,0,0,0,0|1,0,1]=4 718 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)[O-])O TS11398 [0,2,0,0,0,0|1,0,1]=4 719 B10R0.31 C[N+](C)(C)C[C@H](CC(=O)[O-])O TS18515 [0,2,0,0,0,0|1,0,1]=4 720 B10R0.70 CC(C)C[C@@H](CC(=O)O)CN TS94511 [0,2,0,0,0,0|0,0,0]=2 721 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [1,0,0,1,0,0|2,0,0]=4 722 B8R1.1 C1C(OC(=O)O1)CO TS04697 [1,0,0,1,0,0|2,0,0]=4 723 B8R1.1 C1CC(=O)NC1CN TS32080 [1,0,0,1,0,0|2,0,0]=4 724 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [1,0,0,1,0,0|2,0,0]=4 725 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [1,0,0,1,0,0|2,0,0]=4 726 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [1,0,0,1,0,0|2,0,0]=4 727 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [1,0,0,1,0,0|2,0,0]=4 728 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [1,0,0,1,0,0|2,0,0]=4 729 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [1,0,0,1,0,0|1,0,0]=3 730 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [1,0,0,1,0,0|1,0,0]=3 731 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,1,0,0|1,0,0]=3 732 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,1,0,0|0,0,0]=2 733 B8R1.1 CN1CCC(C1)CO TS32163 [1,0,0,1,0,0|1,0,1]=4 734 B8R1.1 CN1CC[C@@H](C1)CO TS91738 [1,0,0,1,0,0|1,0,1]=4 735 B8R1.1 CN1CC[C@H](C1)CO TS90974 [1,0,0,1,0,0|1,0,1]=4 736 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [1,0,0,1,0,0|1,0,1]=4 737 B8R1.4 C1CC(=O)OC(=O)C1 TS56168 [1,0,0,1,0,0|1,0,1]=4 738 B8R1.4 C1CC(CC(C1)O)N TS65882 [1,0,0,1,0,0|1,0,1]=4 739 B8R1.4 C1CC(CC(C1)O)O TS32206 [1,0,0,1,0,0|1,0,1]=4 740 B8R1.4 C1CNC(=O)CC1N TS02971 [1,0,0,1,0,0|2,0,0]=4 741 B8R1.4 C1CNC(=O)CC1O TS03134 [1,0,0,1,0,0|2,0,0]=4 742 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [1,0,0,1,0,0|2,0,0]=4 743 B8R1.4 CC1=CC(=O)CCC1 TS04198 [1,0,0,1,0,0|0,0,2]=4 744 B8R1.4 CC1=CCCC(=O)O1 TS31918 [1,0,0,1,0,0|0,0,2]=4 745 B8R1.4 CC1CC(=O)CCN1 TS59976 [1,0,0,1,0,0|1,0,0]=3 746 B8R1.4 CC1CC(=O)CCO1 TS87534 [1,0,0,1,0,0|1,0,0]=3 747 B8R1.4 CC1CC(CCN1)O TS85562 [1,0,0,1,0,0|1,0,1]=4 748 B8R1.4 CC1CC(CCO1)O TS88683 [1,0,0,1,0,0|1,0,1]=4 749 B8R1.4 CC1CCCC(=C1)C TS48310 [1,0,0,1,0,0|1,0,1]=4 750 B8R1.4 CC1CCCC(=O)O1 TS04447 [1,0,0,1,0,0|0,0,0]=2 751 B8R1.4 CC1CCCC(C1)C TS04353 [1,0,0,1,0,0|1,0,1]=4 752 B8R1.4 CC1CCCC(C1)C TS06754 [1,0,0,1,0,0|1,0,1]=4 753 B8R1.4 CC1CCNC(=N)C1 TS45483 [1,0,0,1,0,0|2,0,0]=4 754 B8R1.4 CC1CCOC(=O)C1 TS32063 [1,0,0,1,0,0|1,0,0]=3 755 B8R1.4 CN1CCCC(=O)C1 TS46998 [1,0,0,1,0,0|1,0,0]=3 756 B8R1.4 CN1CCCC(C1)O TS32155 [1,0,0,1,0,0|1,0,1]=4 757 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [1,0,0,1,0,0|1,0,1]=4 758 B8R1.4 CN1CCC[C@H](C1)O TS90931 [1,0,0,1,0,0|1,0,1]=4 759 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [1,0,0,1,0,0|1,0,0]=3 760 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [1,0,0,1,0,0|0,0,0]=2 761 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [1,0,0,1,0,0|0,0,0]=2 762 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [1,0,0,1,0,0|2,0,0]=4 763 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [1,0,0,1,0,0|1,0,1]=4 764 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [1,0,0,1,0,0|1,0,0]=3 765 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [1,0,0,1,0,0|1,0,1]=4 766 B8R1.6 CCCC1CC(=O)N1 TS32013 [1,0,0,1,0,0|1,0,0]=3 767 B8R1.6 CN1CC(C1)CCO TS86493 [1,0,0,1,0,0|1,0,1]=4 768 B8R1.7 B(C1CCCC1)(O)O TS55826 [1,0,0,1,0,0|1,0,1]=4 769 B8R1.7 C1C(NCS1)C(=O)O TS05827 [1,0,0,1,0,0|2,0,0]=4 770 B8R1.7 C1C=CCC1C(=O)O TS16735 [1,0,0,1,0,0|0,0,2]=4 771 B8R1.7 C1CC(NC1)C(=O)N TS39860 [1,0,0,1,0,0|2,0,0]=4 772 B8R1.7 C1CC(NC1)C(=O)O TS04527 [1,0,0,1,0,0|1,0,0]=3 773 B8R1.7 C1CC(OC1)C(=O)O TS65650 [1,0,0,1,0,0|1,0,0]=3 774 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,1,0,0|0,0,2]=4 775 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [1,0,0,1,0,0|1,0,0]=3 776 B8R1.7 C1CCC(C1)C(=O)N TS04395 [1,0,0,1,0,0|1,0,0]=3 777 B8R1.7 C1CCC(C1)C(=O)O TS55824 [1,0,0,1,0,0|0,0,0]=2 778 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [1,0,0,1,0,0|2,0,0]=4 779 B8R1.7 C1CNCC1C(=O)N TS32074 [1,0,0,1,0,0|2,0,0]=4 780 B8R1.7 C1CNCC1C(=O)N TS85947 [1,0,0,1,0,0|2,0,0]=4 781 B8R1.7 C1CNCC1C(=O)O TS22734 [1,0,0,1,0,0|1,0,0]=3 782 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [1,0,0,1,0,0|2,0,0]=4 783 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [1,0,0,1,0,0|1,0,0]=3 784 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [1,0,0,1,0,0|2,0,0]=4 785 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [1,0,0,1,0,0|2,0,0]=4 786 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [1,0,0,1,0,0|1,0,0]=3 787 B8R1.7 C1COCC1C(=O)N TS88172 [1,0,0,1,0,0|2,0,0]=4 788 B8R1.7 C1COCC1C(=O)O TS59430 [1,0,0,1,0,0|1,0,0]=3 789 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [1,0,0,1,0,0|1,0,0]=3 790 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [1,0,0,1,0,0|1,0,0]=3 791 B8R1.7 C1CSC(N1)C(=O)O TS05828 [1,0,0,1,0,0|2,0,0]=4 792 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [1,0,0,1,0,0|2,0,0]=4 793 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [1,0,0,1,0,0|2,0,0]=4 794 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [1,0,0,1,0,0|1,0,0]=3 795 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [1,0,0,1,0,0|1,0,0]=3 796 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [1,0,0,1,0,0|1,0,0]=3 797 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [1,0,0,1,0,0|2,0,0]=4 798 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [1,0,0,1,0,0|2,0,0]=4 799 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [1,0,0,1,0,0|1,0,0]=3 800 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [1,0,0,1,0,0|1,0,0]=3 801 B8R1.7 C1[C@@H](NCS1)C(=O)O TS05829 [1,0,0,1,0,0|2,0,0]=4 802 B8R1.7 CC(=O)C1CCCC1 TS46943 [1,0,0,1,0,0|1,0,0]=3 803 B8R1.7 CC(=O)C1CCCC1 TS52586 [1,0,0,1,0,0|1,0,0]=3 804 B8R1.7 CC(=O)N1CCCC1 TS32010 [1,0,0,1,0,0|2,0,0]=4 805 B8R1.7 CC(C)C1CCCC1 TS04356 [1,0,0,1,0,0|1,0,1]=4 806 B8R1.7 CC(C)C1CCCC1 TS30326 [1,0,0,1,0,0|1,0,1]=4 807 B8R1.7 CC(C)C1CCCC1 TS63820 [1,0,0,1,0,0|1,0,1]=4 808 B8R1.7 CC(C)C1CCCC1 TS67054 [1,0,0,1,0,0|1,0,1]=4 809 B8R1.7 CC(C)C1CCCC1 TS72215 [1,0,0,1,0,0|1,0,1]=4 810 B8R1.7 CC(C)C1CCCC1 TS73878 [1,0,0,1,0,0|1,0,1]=4 811 B8R1.7 CC(C)C1CCCC1 TS74314 [1,0,0,1,0,0|1,0,1]=4 812 B8R1.7 CC(C)C1CCCC1 TS82611 [1,0,0,1,0,0|1,0,1]=4 813 B8R1.7 CC(C)C1CCCC1 TS82651 [1,0,0,1,0,0|1,0,1]=4 814 B8R1.7 CC(C1CCCC1)O TS04475 [1,0,0,1,0,0|1,0,1]=4 815 B8R1.19 CC1(CCC=N1=O)C TS32646 [1,0,0,1,0,0|1,0,1]=4 816 B8R1.19 CC1(CCCC1=O)C TS31947 [1,0,0,1,0,0|0,0,0]=2 817 B8R1.19 CC1(CCOC1=O)Br TS47654 [1,0,0,1,0,0|2,0,0]=4 818 B8R1.19 CC1(CCOC1=O)C TS55730 [1,0,0,1,0,0|1,0,0]=3 819 B8R1.19 CC1CCCC1(C)O TS32102 [1,0,0,1,0,0|1,0,1]=4 820 B8R1.22 C1CC(=O)CCNC1 TS89498 [1,0,0,1,0,0|2,0,0]=4 821 B8R1.22 C1CCC(=O)C=CC1 TS01401 [1,0,0,1,0,0|1,0,1]=4 822 B8R1.22 C1CCC(=O)NCC1 TS04386 [1,0,0,1,0,0|1,0,0]=3 823 B8R1.22 C1CCC(=O)NCC1 TS49157 [1,0,0,1,0,0|1,0,0]=3 824 B8R1.22 C1CCC(=O)OCC1 TS59735 [1,0,0,1,0,0|0,0,0]=2 825 B8R1.22 C1CCC(=S)NCC1 TS05487 [1,0,0,1,0,0|1,1,0]=4 826 B8R1.22 C1CCCC(=O)CC1 TS31926 [1,0,0,1,0,0|1,0,0]=3 827 B8R1.22 C1CCCC(CC1)O TS04470 [1,0,0,1,0,0|1,0,1]=4 828 B8R1.22 C1CNCC(=O)NC1 TS32078 [1,0,0,1,0,0|2,0,0]=4 829 B8R1.22 C1COCCNC1=O TS04534 [1,0,0,1,0,0|2,0,0]=4 830 B8R1.22 C=C1OCCCCO1 TS04434 [1,0,0,1,0,0|2,0,0]=4 831 B8R1.22 CC1=CCCCCC1 TS04216 [1,0,0,1,0,0|2,0,0]=4 832 B8R1.22 CC1CCCCCC1 TS04339 [1,0,0,1,0,0|1,0,1]=4 833 B8R1.34 C1C(CN1)CC(=O)O TS87434 [1,0,0,1,0,0|1,0,0]=3 834 B8R1.34 C1C(CO1)CC(=O)O TS86855 [1,0,0,1,0,0|1,0,0]=3 835 B8R1.34 C1CC(C1)CC(=O)O TS32065 [1,0,0,1,0,0|0,0,0]=2 836 B8R1.35 C1CC1CCC(=O)O TS04433 [1,0,0,1,0,0|0,0,0]=2 837 B8R1.35 CC(C)OCC1CO1 TS32213 [1,0,0,1,0,0|1,0,1]=4 838 B8R1.36 CCCCCC1CO1 TS04480 [1,0,0,1,0,0|1,0,1]=4 839 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [1,0,0,1,0,0|1,0,1]=4 840 B8R1.72 CC1(CCC=CC1)C TS04217 [1,0,0,1,0,0|1,0,1]=4 841 B8R1.72 CC1(CCCCC1)O TS32093 [1,0,0,1,0,0|1,0,1]=4 842 B8R1.72 CC1(CCCNC1)C TS04397 [1,0,0,1,0,0|2,0,0]=4 843 B8R1.72 CC1(CCCNC1)C TS40807 [1,0,0,1,0,0|2,0,0]=4 844 B8R1.72 C[Si]1(CCCCO1)C TS05625 [1,0,0,1,0,0|0,1,1]=4 845 B8R1.3 C1CC(=O)CCC1O TS94873 [0,0,0,1,1,0|2,0,0]=4 846 B8R1.3 C1CC(=O)NCC1N TS88548 [0,0,0,1,1,0|2,0,0]=4 847 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,0,0,1,1,0|1,0,0]=3 848 B8R1.3 CC1CCC(CC1)O TS32101 [0,0,0,1,1,0|1,0,1]=4 849 B8R1.3 CN1CCC(=O)CC1 TS00486 [0,0,0,1,1,0|2,0,0]=4 850 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,0,0,1,1,0|1,0,1]=4 851 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,0,0,1,1,0|1,0,1]=4 852 B8R1.23 C1C(CC1=O)C(=O)O TS31990 [0,0,0,1,1,0|1,0,1]=4 853 B8R1.23 C1C(CC1=O)C(=O)O TS70699 [0,0,0,1,1,0|1,0,1]=4 854 B8R1.23 C1C(CC1Cl)C(=O)O TS05939 [0,0,0,1,1,0|1,0,0]=3 855 B8R1.23 C1C(CC1F)C(=O)O TS88107 [0,0,0,1,1,0|1,0,0]=3 856 B8R1.23 C1C(CC1O)C(=O)O TS89594 [0,0,0,1,1,0|1,0,0]=3 857 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS01385 [0,0,0,1,1,0|1,0,0]=3 858 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N TS89298 [0,0,0,1,1,0|1,0,0]=3 859 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O TS91710 [0,0,0,1,1,0|1,0,0]=3 860 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS59457 [0,0,0,1,1,0|1,0,0]=3 861 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N TS90983 [0,0,0,1,1,0|1,0,0]=3 862 B8R1.23 C=C1CC(C1)C(=O)O TS60352 [0,0,0,1,1,0|0,0,2]=4 863 B8R1.23 C=C1CC(C1)C(=O)O TS89475 [0,0,0,1,1,0|0,0,2]=4 864 B8R1.23 CC(C)C1CC(=O)N1 TS32020 [0,0,0,1,1,0|1,0,0]=3 865 B8R1.23 CC1CC(C1)C(=O)O TS88279 [0,0,0,1,1,0|0,0,0]=2 866 B8R1.23 CN1CC(C1)C(=O)O TS89334 [0,0,0,1,1,0|1,0,0]=3 867 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [0,0,0,1,1,0|0,0,0]=2 868 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [0,0,0,1,1,0|0,0,0]=2 869 B8R1.51 CC1(CCC(=O)N1)C TS32021 [0,0,0,1,1,0|1,0,0]=3 870 B8R1.51 CC1(CCC(=O)O1)C TS16955 [0,0,0,1,1,0|0,0,0]=2 871 B8R1.51 CC1(COC(=O)N1)C TS90306 [0,0,0,1,1,0|2,0,0]=4 872 B8R1.51 CC1CCC(C1)(C)O TS32090 [0,0,0,1,1,0|1,0,1]=4 873 B8R1.51 CC1CCS(=O)(=O)C1 TS05918 [0,0,0,1,1,0|1,0,1]=4 874 B8R1.51 CP1(=O)CCC(=O)O1 TS05863 [0,0,0,1,1,0|2,0,0]=4 875 B8R1.77 C1C(C1(Cl)Cl)C(=O)O TS41482 [0,0,0,1,1,0|2,0,0]=4 876 B8R1.77 C1C(C1(F)Cl)C(=O)O TS37243 [0,0,0,1,1,0|2,0,0]=4 877 B8R1.77 C1C(C1(F)F)C(=O)O TS04886 [0,0,0,1,1,0|2,0,0]=4 878 B8R1.77 CC1(CC1C(=O)O)C TS47118 [0,0,0,1,1,0|0,0,0]=2 879 B8R1.77 CC1(C[C@@H]1C(=O)N)C TS94076 [0,0,0,1,1,0|1,0,0]=3 880 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [0,0,0,1,1,0|0,0,0]=2 881 B10R1.54 C1CN(CC1=O)CC(=O)O TS40068 [0,0,0,1,0,1|1,0,1]=4 882 B10R1.54 C1CN(CC1N)CC(=O)O TS40179 [0,0,0,1,0,1|1,0,0]=3 883 B10R1.54 C1CN(CC1O)CC(=O)O TS08024 [0,0,0,1,0,1|1,0,0]=3 884 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 TS40081 [0,0,0,1,0,1|1,0,0]=3 885 B10R1.54 CC(C)C[C@H]1COC(=O)N1 TS06855 [0,0,0,1,0,1|1,0,0]=3 886 B10R1.54 CC1COC(O1)CC(C)C TS06987 [0,0,0,1,0,1|1,0,1]=4 887 B10R1.113 C1CC(CC(C1)N)C(=O)O TS65881 [0,0,0,1,0,1|1,0,0]=3 888 B10R1.113 C1CNC(=O)CC1C(=O)O TS85991 [0,0,0,1,0,1|1,0,1]=4 889 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O TS06832 [0,0,0,1,0,1|1,0,1]=4 890 B10R1.113 CC(C)N1CCCC(=O)C1 TS46973 [0,0,0,1,0,1|1,0,0]=3 891 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O TS06680 [0,0,0,1,0,1|1,0,1]=4 892 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [0,0,0,1,0,1|1,0,0]=3 893 B10R1.113 CC1CCCN(C1)C(=O)C TS06612 [0,0,0,1,0,1|1,0,0]=3 894 B10R1.113 CC1OCC[C@H](O1)C(=O)O TS40371 [0,0,0,1,0,1|1,0,0]=3 895 B10R1.113 CN1CCCC(C1)C(=O)N TS06731 [0,0,0,1,0,1|2,0,0]=4 896 B10R1.113 CN1CCCC(C1)C(=O)O TS14485 [0,0,0,1,0,1|1,0,0]=3 897 B10R1.113 CN1CCCC(C1)C(=O)O TS59572 [0,0,0,1,0,1|1,0,0]=3 898 B10R1.113 CN1CCNC(C1)C(=O)O TS03179 [0,0,0,1,0,1|1,0,0]=3 899 B10R1.113 CN1CCNC(C1)C(=O)O TS49218 [0,0,0,1,0,1|1,0,0]=3 900 B10R1.113 CN1CCOC(C1)C(=O)O TS14844 [0,0,0,1,0,1|1,0,0]=3 901 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O TS94421 [0,0,0,1,0,1|0,0,0]=2 902 B10R1.128 CC1(CNCC1C(=O)O)C TS09563 [0,0,0,1,0,1|0,0,0]=2 903 B10R1.128 CC1([C@H](NCS1)C(=O)O)C TS11430 [0,0,0,1,0,1|1,0,0]=3 904 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C TS14489 [0,0,0,1,0,1|1,0,0]=3 905 B10R1.13 C1CC(=O)CCC1C(=O)O TS37561 [0,1,0,1,0,0|1,0,1]=4 906 B10R1.13 C1CC(=O)NCC1C(=O)O TS90741 [0,1,0,1,0,0|1,0,1]=4 907 B10R1.13 C1CC(CCC1C(=O)O)N TS02990 [0,1,0,1,0,0|1,0,0]=3 908 B10R1.13 C1CC(CCC1C(=O)O)O TS06943 [0,1,0,1,0,0|1,0,0]=3 909 B10R1.13 C1C[C@H](NC[C@@H]1O)C(=O)O TS14843 [0,1,0,1,0,0|1,0,0]=3 910 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O TS87571 [0,1,0,1,0,0|1,0,0]=3 911 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O TS39836 [0,1,0,1,0,0|1,0,0]=3 912 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O TS88414 [0,1,0,1,0,0|1,0,0]=3 913 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O TS40167 [0,1,0,1,0,0|1,0,0]=3 914 B10R1.13 CC(C)C1CCC(=O)CC1 TS37407 [0,1,0,1,0,0|1,0,0]=3 915 B10R1.13 CC(C)C1CCC(CC1)O TS06750 [0,1,0,1,0,0|1,0,1]=4 916 B10R1.13 CC(C)N1CCC(=O)CC1 TS37513 [0,1,0,1,0,0|2,0,0]=4 917 B10R1.13 CC1=CC[C@@H](CC1)C(C)C TS06322 [0,1,0,1,0,0|2,0,0]=4 918 B10R1.13 CN(C)C1CCC(=O)CC1 TS37512 [0,1,0,1,0,0|2,0,0]=4 919 B10R1.13 CN1CCC(CC1)C(=O)N TS06725 [0,1,0,1,0,0|2,0,0]=4 920 B10R1.13 CN1CCC(CC1)C(=O)O TS00054 [0,1,0,1,0,0|1,0,0]=3 921 B10R1.13 CN1CCC(CC1)C(=O)O TS47001 [0,1,0,1,0,0|1,0,0]=3 922 B10R1.13 CN1CCC(CC1)C(=O)O TS88476 [0,1,0,1,0,0|1,0,0]=3 923 B10R1.14 COC(=O)C1CCC(=O)C1 TS88105 [0,1,0,1,0,0|1,0,1]=4 924 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 TS89880 [0,1,0,1,0,0|1,0,1]=4 925 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N TS86868 [0,1,0,1,0,0|1,0,0]=3 926 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N TS92331 [0,1,0,1,0,0|1,0,0]=3 927 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)N TS40177 [0,1,0,1,0,0|2,0,0]=4 928 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)O TS01915 [0,1,0,1,0,0|2,0,0]=4 929 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F TS07308 [0,1,0,1,0,0|2,0,0]=4 930 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)N TS40174 [0,1,0,1,0,0|2,0,0]=4 931 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O TS14842 [0,1,0,1,0,0|2,0,0]=4 932 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 TS90992 [0,1,0,1,0,0|1,0,1]=4 933 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N TS92782 [0,1,0,1,0,0|1,0,0]=3 934 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N TS92045 [0,1,0,1,0,0|1,0,0]=3 935 B10R1.31 C1[C@@H](CN[C@@H]1C(=O)O)C#N TS06441 [0,1,0,1,0,0|1,0,1]=4 936 B10R1.31 C1[C@H](CN[C@@H]1C(=O)O)C#N TS46522 [0,1,0,1,0,0|1,0,1]=4 937 B10R1.31 [2H]O[C@@H]1C[C@H](NC1)C(=O)O TS43268 [0,1,0,1,0,0|2,0,0]=4 938 B10R1.31 [2H]O[C@H]1C[C@H](NC1)C(=O)O TS01387 [0,1,0,1,0,0|2,0,0]=4 939 B10R1.31 [2H]O[C@H]1C[C@H](NC1)C(=O)O TS01388 [0,1,0,1,0,0|2,0,0]=4 940 B10R1.79 C1CC(CCCC(=O)C1)O TS06698 [0,1,0,1,0,0|2,0,0]=4 941 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [0,1,0,1,0,0|1,0,1]=4 942 B10R1.350 CC1(CC1)CCCC(=O)O TS37600 [0,1,0,1,0,0|0,0,0]=2 943 B10R1.58 CN1CC(CC1=O)C(=O)O TS06828 [0,1,0,1,0,0|1,0,1]=4 944 B10R1.83 CC1(C(CC1=O)C(=O)O)C TS92860 [0,1,0,1,0,0|0,0,1]=3 945 B10R1.83 CC1(C(CC1N)C(=O)O)C TS91958 [0,1,0,1,0,0|0,0,0]=2 946 B10R1.83 CC1([C@@H](C[C@@H]1N)C(=O)O)C TS92161 [0,1,0,1,0,0|0,0,0]=2 947 B10R1.83 CC1([C@H](C[C@@H]1N)C(=O)O)C TS92913 [0,1,0,1,0,0|0,0,0]=2 948 B10R1.359 C1CC(CC1C(=O)O)(F)F TS91321 [0,1,0,1,0,0|1,0,0]=3 949 B10R1.359 C1CC(C[C@@H]1C(=O)O)(F)F TS92449 [0,1,0,1,0,0|1,0,0]=3 950 B10R1.359 C1CC(C[C@H]1C(=O)O)(F)F TS91443 [0,1,0,1,0,0|1,0,0]=3 951 B10R1.359 C1[C@@H](NCC1(F)F)C(=O)O TS92608 [0,1,0,1,0,0|2,0,0]=4 952 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O TS89818 [0,1,0,1,0,0|2,0,0]=4 953 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O TS91654 [0,1,0,1,0,0|2,0,0]=4 954 B10R1.359 CC1(NC(CS1)C(=O)O)C TS11434 [0,1,0,1,0,0|1,0,0]=3 955 B10R1.359 CC1(OCC(O1)C(=O)O)C TS47114 [0,1,0,1,0,0|1,0,0]=3 956 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C TS40377 [0,1,0,1,0,0|1,0,0]=3 957 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O TS40289 [0,1,0,1,0,0|2,0,0]=4 958 B10R1.329 CC1(CC(=O)CC(=O)C1)C TS02056 [0,1,0,1,0,0|1,0,1]=4 959 B10R1.329 CC1(CC(=O)CC(=O)N1)C TS06587 [0,1,0,1,0,0|1,0,1]=4 960 B10R1.329 CC1(OC(=O)CC(=O)O1)C TS47113 [0,1,0,1,0,0|1,0,1]=4 961 B10R1.329 CC1=CC(OC(=O)C1)(C)C TS06473 [0,1,0,1,0,0|0,0,2]=4 962 B10R1.329 CC1CC(=O)CC(C1)(C)C TS06507 [0,1,0,1,0,0|1,0,0]=3 963 B10R1.329 CC1CC(CC(C1)(C)C)O TS06748 [0,1,0,1,0,0|1,0,1]=4 964 B10R1.329 C[C@@H]1C[C@@H](CC(C1)(C)C)O TS06743 [0,1,0,1,0,0|1,0,1]=4 965 B10R1.371 C1C(CC1(F)F)CC(=O)O TS91404 [0,1,0,1,0,0|1,0,0]=3 966 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 TS06857 [0,1,0,1,0,0|2,0,0]=4 967 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 TS40085 [0,1,0,1,0,0|2,0,0]=4 968 B10R1.347 CC(C)C1CC1S(=O)(=O)Cl TS55414 [0,1,0,1,0,0|1,0,1]=4 969 B10R2.178 C1CC2C(=O)CCC1N2 TS92148 [0,0,0,2,0,0|2,0,0]=4 970 B10R2.348 C1C2CC1(NC2)C(=O)O TS89247 [0,0,0,2,0,0|1,0,0]=3 971 B10R2.355 C1C2C1C(NC2)C(=O)O TS65883 [0,0,0,2,0,0|1,0,0]=3 972 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O TS89200 [0,0,0,2,0,0|1,0,0]=3 973 B10R2.357 C1C2C1CC(C2)C(=O)O TS89364 [0,0,0,2,0,0|0,0,0]=2 974 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N TS94036 [0,0,0,2,0,0|2,0,0]=4 975 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O TS85651 [0,0,0,2,0,0|1,0,0]=3 976 B10R2.534 C1CC12CNCC(=O)N2 TS89416 [0,0,0,2,0,0|2,0,0]=4 977 B6R0.2 B(CC(C)C)(O)O TS01505 [0,0,0,0,2,0|1,0,1]=4 978 B6R0.2 CC(=CC(=O)O)C TS03839 [0,0,0,0,2,0|0,0,2]=4 979 B6R0.2 CC(=O)CC(=O)O TS31585 [0,0,0,0,2,0|1,0,1]=4 980 B6R0.2 CC(=O)CN(C)C TS31555 [0,0,0,0,2,0|2,0,0]=4 981 B6R0.2 CC(C)CC(=C)C TS31451 [0,0,0,0,2,0|2,0,0]=4 982 B6R0.2 CC(C)CC(=O)C TS31526 [0,0,0,0,2,0|1,0,0]=3 983 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,0,0,0,2,0|1,0,0]=3 984 B6R0.2 CC(C)CC(=O)N TS31557 [0,0,0,0,2,0|1,0,0]=3 985 B6R0.2 CC(C)CC(=O)O TS03936 [0,0,0,0,2,0|0,0,0]=2 986 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,0,0,0,2,0|0,0,1]=3 987 B6R0.2 CC(C)CC(C)O TS31610 [0,0,0,0,2,0|1,0,1]=4 988 B6R0.2 CC(C)NC(=O)N TS31602 [0,0,0,0,2,0|2,0,0]=4 989 B6R0.2 CC(C)OC(=O)C TS01509 [0,0,0,0,2,0|2,0,0]=4 990 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,0,0,0,2,0|2,0,0]=4 991 B6R0.2 CC(C)OC(=O)N TS03993 [0,0,0,0,2,0|2,0,0]=4 992 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,0,0,0,2,0|1,0,0]=3 993 B6R0.2 CC(CC(=O)O)O TS31666 [0,0,0,0,2,0|1,0,0]=3 994 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,0,0,0,2,0|1,0,1]=4 995 B6R0.2 CN(C)CC(=O)O TS08905 [0,0,0,0,2,0|1,0,0]=3 996 B6R0.2 CN(C)CC(=O)O TS37315 [0,0,0,0,2,0|1,0,0]=3 997 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,0,0,0,2,0|1,0,1]=4 998 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,0,0,0,2,0|1,0,1]=4 999 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,0,0,0,2,0|1,0,0]=3 1000 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,0,0,0,2,0|1,0,0]=3 1001 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,0,0,0,2,0|1,0,0]=3 1002 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,0,0,0,2,0|1,0,1]=4 1003 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,0,0,0,2,0|1,0,0]=3 1004 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,0,0,0,2,0|1,0,1]=4 1005 B10R0.97 CC(=O)NCSCCC(=O)O TS46292 [0,0,0,0,0,2|1,0,1]=4