0 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,0,0,0,0,0|2,1,1]=4 6 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,0,0,0,0,0|2,1,1]=4 8 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,0,0,0,0,0|2,1,1]=4 9 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,0,0,0,0,0|1,0,3]=4 22 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,0,0,0,0,0|1,0,3]=4 25 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,0,0|1,1,2]=4 26 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,0,0,0,0,0|1,0,3]=4 27 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,0,0,0,0,0|0,0,4]=4 28 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,0,0,0,0,0|1,0,3]=4 30 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,0,0,0|1,0,1]=2 34 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,0,0|1,1,0]=2 42 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,0,0|1,0,0]=1 43 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,0,0|0,0,0]=0 44 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,0,0|1,0,0]=1 48 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,0,0|0,0,0]=0 49 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,0,0|1,0,0]=1 50 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,0,0|0,0,0]=0 51 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.1 C#CC1CCCN1 Z1203832764 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 CNC1CCSC1 Z102767000 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 O=CC1=CCSC1 Z57981092 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.1 O=CC1CC=CC1 Z1504676872 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,0,0,0|1,1,1]=4 70 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [0,1,0,0,0,0|2,1,0]=4 74 B9R1.11 CNC(=O)C1C=CCN1 Z5395493041 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.11 CNC(=O)C1CCNC1 Z1078592234 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [0,1,0,0,0,0|1,0,1]=3 79 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,0,0,0|1,1,0]=3 84 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.19 CC(C)(O)C1CCCN1 Z1192038961 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,0,0,0|1,1,0]=3 97 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,0,0,0|0,0,0]=1 100 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,1,0,0,0,0|1,1,1]=4 114 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,1,0,0,0,0|0,0,3]=4 124 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,1,0,0,0,0|0,1,1]=3 125 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,1,0,0,0,0|0,0,1]=2 126 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,1,0,0,0,0|0,0,1]=2 129 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,1,0,0,0,0|1,1,1]=4 130 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,0,0,0|1,1,0]=3 135 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,1,0,0,0,0|0,0,0]=1 138 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,0,0,0|1,1,0]=3 161 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,0,0,0|1,1,0]=3 167 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,0,0,0|1,1,0]=3 170 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,0,0,0|1,1,0]=3 171 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,0,1,0,0,0|1,0,1]=3 172 B7R0.4 C#CCOCC(=O)O Z362807246 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.4 C#CCSCC(=O)O Z149151642 [0,0,1,0,0,0|2,0,1]=4 174 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,0,1,0,0,0|2,0,1]=4 175 B7R0.4 C=CCNCC(=O)O Z803145546 [0,0,1,0,0,0|1,0,1]=3 176 B7R0.4 C=CCOCC(=O)O Z362807794 [0,0,1,0,0,0|2,0,1]=4 177 B7R0.4 C=CCSCC(=O)O Z149151274 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,0,1,0,0,0|2,0,1]=4 179 B7R0.4 CC(=O)NCCCN Z295405102 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,0,1,0,0,0|2,0,1]=4 181 B7R0.4 CCCCCC(=O)O Z104503532 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.4 CCCNCC(=O)N Z2211231296 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.4 CCCNCC(=O)O Z744582718 [0,0,1,0,0,0|1,0,0]=2 184 B7R0.4 CCCOCC(=O)O Z406677750 [0,0,1,0,0,0|2,0,0]=3 185 B7R0.4 CCCSCC(=O)C Z447929234 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.4 CCCSCC(=O)O Z228425458 [0,0,1,0,0,0|2,0,0]=3 187 B7R0.4 CCNCCC(=O)N Z2681234913 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.4 CCNCCC(=O)O Z1869802098 [0,0,1,0,0,0|2,0,0]=3 189 B7R0.4 CCOCCC(=O)O Z316258938 [0,0,1,0,0,0|1,1,0]=3 190 B7R0.4 CCSCCC(=O)O Z197206046 [0,0,1,0,0,0|1,0,0]=2 191 B7R0.4 CNCCCC(=O)O Z57043473 [0,0,1,0,0,0|2,0,0]=3 192 B7R0.4 COCCCC(=O)C Z406376722 [0,0,1,0,0,0|2,1,0]=4 193 B7R0.4 COCCCC(=O)O Z316258912 [0,0,1,0,0,0|1,1,0]=3 194 B7R0.4 CSCCCC(=O)O Z54602911 [0,0,1,0,0,0|1,0,0]=2 195 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,0,1,0,0,0|1,0,2]=4 196 B7R0.4 N#CCSCC(=O)O Z19691779 [0,0,1,0,0,0|3,0,0]=4 197 B7R0.4 NCCCCC(=O)N Z1639630947 [0,0,1,0,0,0|2,0,0]=3 198 B7R0.4 NCCCCC(=O)O Z271111992 [0,0,1,0,0,0|1,0,0]=2 199 B7R0.4 NCCCOC(=O)N Z3337481796 [0,0,1,0,0,0|3,0,0]=4 200 B7R0.4 NCCNCC(=O)O Z2692249907 [0,0,1,0,0,0|2,0,0]=3 201 B7R0.4 NCCOCC(=O)N Z1428158847 [0,0,1,0,0,0|3,0,0]=4 202 B7R0.4 NCCOCC(=O)O Z1650039500 [0,0,1,0,0,0|2,0,0]=3 203 B7R0.4 NCCSCC(=O)O Z1381287295 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.4 O=C(O)CCCCBr Z104479696 [0,0,1,0,0,0|2,0,0]=3 205 B7R0.4 O=C(O)CCCCS Z808230828 [0,0,1,0,0,0|2,0,0]=3 206 B7R0.4 O=C(O)CNCCO Z425411352 [0,0,1,0,0,0|2,0,0]=3 207 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,0,1,0,0,0|2,0,1]=4 208 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,0,1,0,0,0|2,0,1]=4 209 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,0,1,0,0,0|2,0,1]=4 210 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,0,1,0,0,0|1,0,1]=3 211 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,0,1,0,0,0|1,0,1]=3 212 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,0,1,0,0,0|2,0,0]=3 213 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,0,1,0,0,0|0,1,1]=3 214 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,0,1,0,0,0|2,0,0]=3 215 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,0,1,0,0,0|1,0,0]=2 216 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,0,1,0,0,0|1,0,0]=2 217 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,0,1,0,0,0|1,0,0]=2 218 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,0,1,0,0,0|1,0,0]=2 219 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,0,1,0,0,0|2,0,0]=3 220 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,0,1,0,0,0|2,0,0]=3 221 B7R0.5 COCC(C)C(=O)O Z431541094 [0,0,1,0,0,0|1,1,0]=3 222 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,0,1,0,0,0|0,1,0]=2 223 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,0,1,0,0,0|1,0,0]=2 224 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,0,1,0,0,0|0,0,0]=1 225 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,0,1,0,0,0|2,0,0]=3 226 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,1,0,0,0|2,0,0]=3 227 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,1,0,0,0|3,0,0]=4 228 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,1,0,0,0|2,0,0]=3 229 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,1,0,0,0|2,0,0]=3 231 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,1,0,0,0|2,0,0]=3 232 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,0,1,0,0,0|2,0,1]=4 233 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,0,1,0,0,0|1,1,1]=4 235 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,0,1,0,0,0|1,0,0]=2 236 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,0,1,0,0,0|2,0,0]=3 237 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,0,1,0,0,0|2,0,0]=3 238 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,0,1,0,0,0|1,0,0]=2 239 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,0,1,0,0,0|2,0,0]=3 240 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,0,1,0,0,0|3,0,0]=4 241 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,0,0|3,0,0]=4 242 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,0,0|3,0,0]=4 243 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,0,0|3,0,0]=4 244 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,0,1,0|2,0,1]=4 246 B7R1.18 FC(F)C1CCN1 Z2230912640 [0,0,0,0,1,0|2,0,1]=4 247 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,0,1,0|3,0,0]=4 248 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,0,0,0,1,0|3,0,0]=4 249 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,0,1,0|2,0,0]=3 250 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,0,1,0|2,0,0]=3 251 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,0,1,0|1,0,0]=2 252 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,0,1,0|0,0,0]=1 253 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,0,1,0|1,0,0]=2 254 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,0,1,0|0,0,0]=1 255 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,0,1|2,1,0]=4 258 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,0,0,1|2,1,0]=4 260 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,0,0,0,1|3,0,0]=4 265 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,0,0,1|2,1,0]=4 272 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,0,1|1,0,0]=2 275 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,0,1|1,0,2]=4 278 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,0,1|1,0,1]=3 279 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,0,1|2,0,1]=4 280 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,0,1|2,0,0]=3 281 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,0,1|1,0,1]=3 282 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,0,0,1|1,0,1]=3 283 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,0,1|2,0,0]=3 284 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,0,0,1|1,0,0]=2 285 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,0,1|2,0,0]=3 286 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,0,1|1,0,0]=2 287 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,0,1|1,0,0]=2 289 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,0,1|1,1,0]=3 290 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,0,1|1,0,0]=2 291 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,0,0,1|1,0,2]=4 293 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,0,1|1,1,0]=3 295 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,0,1|1,0,0]=2 296 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,0,1|0,0,0]=1 297 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,0,0,1|1,0,1]=3 298 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,0,1|1,0,0]=2 299 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,0,1|0,1,0]=2 300 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,0,0,1|1,1,0]=3 301 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,0,1|1,0,0]=2 302 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,0,0,1|1,0,0]=2 304 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,0,1|1,0,0]=2 305 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,0,0,0,1|2,1,0]=4 307 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,0,0,0,0,1|2,0,1]=4 310 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,0,0,1|2,0,1]=4 315 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,0,0,1|2,0,1]=4 316 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,0,0,1|2,0,0]=3 317 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,0,0,1|1,0,0]=2 318 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,0,0,1|2,0,0]=3 319 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,0,0,1|1,1,0]=3 320 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,0,0,1|2,0,0]=3 323 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,0,0,1|1,1,0]=3 324 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,1,0,0,0|1,0,1]=4 326 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,1,0,0,0|2,0,0]=4 327 B6R0.4 CC(O)CCCN Z1198178891 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,1,0,0,0|1,0,1]=4 330 B6R0.4 CCCCC(=O)N Z104476278 [1,0,1,0,0,0|2,0,0]=4 331 B6R0.4 CCCCC(=O)O Z104473312 [1,0,1,0,0,0|1,0,0]=3 332 B6R0.4 CCCNC(=O)C Z33030314 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,1,0,0,0|1,0,0]=3 334 B6R0.4 CCNCC(=O)O Z744593094 [1,0,1,0,0,0|0,0,0]=2 335 B6R0.4 CCNCC(C)O Z138692768 [1,0,1,0,0,0|1,0,1]=4 336 B6R0.4 CCOCC(=O)O Z104495232 [1,0,1,0,0,0|1,0,0]=3 337 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,1,0,0,0|2,0,0]=4 338 B6R0.4 COCCC(=O)C Z362119682 [1,0,1,0,0,0|1,1,0]=4 339 B6R0.4 COCCC(=O)N Z394696458 [1,0,1,0,0,0|1,1,0]=4 340 B6R0.4 COCCC(=O)O Z285184634 [1,0,1,0,0,0|0,1,0]=3 341 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,1,0,0,0|0,0,2]=4 342 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,1,0,0,0|2,0,0]=4 343 B6R0.4 CSCCC(=O)O Z54719251 [1,0,1,0,0,0|0,0,0]=2 344 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.4 NCCCC(=O)N Z398513418 [1,0,1,0,0,0|1,0,0]=3 346 B6R0.4 NCCCC(=O)O Z104475620 [1,0,1,0,0,0|0,0,0]=2 347 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,1,0,0,0|1,0,0]=3 348 B6R0.4 NCCNC(=O)N Z1268152381 [1,0,1,0,0,0|2,0,0]=4 349 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.4 O=C(O)CCCS Z147642510 [1,0,1,0,0,0|1,0,0]=3 351 B6R0.6 C=CCCCCN Z1198160046 [1,0,1,0,0,0|2,0,0]=4 352 B6R0.1 COCC(N)CO Z1945984156 [1,0,1,0,0,0|0,1,1]=4 353 B6R0.1 CSCC(C)CO Z1270310211 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.1 CSCC(O)CO Z1126770422 [1,0,1,0,0,0|1,0,1]=4 355 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,0,1,0,0,0|0,0,2]=4 356 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,1,0,0,0|1,0,0]=3 358 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,1,0,0,0|0,1,0]=3 359 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,1,0,0,0|1,0,0]=3 361 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,1,0,0,0|0,0,0]=2 362 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,1,0,0,0|1,0,0]=3 364 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,1,0,0,0|0,0,0]=2 365 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,1,0,0,0|1,0,0]=3 366 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,1,0,0,0|0,0,0]=2 367 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,1,0,0,0|0,0,0]=2 368 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,0,1,0,0,0|1,0,0]=3 369 B6R0.3 COC(C)C(=O)C Z447898138 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.3 COC(C)C(=O)N Z223645218 [1,0,1,0,0,0|2,0,0]=4 371 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,1,0,0,0|1,0,0]=3 372 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,1,0,0,0|1,0,0]=3 373 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,1,0,0,0|0,1,0]=3 374 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,1,0,0,0|0,0,0]=2 375 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,1,0,0,0|1,0,0]=3 376 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,1,0,0,0|2,0,0]=4 377 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,1,0,0,0|0,1,0]=3 378 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,1,0,0,0|0,0,0]=2 379 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,1,0,0,0|0,1,0]=3 380 B6R0.9 CNC(CO)CO Z1939437574 [1,0,1,0,0,0|0,1,1]=4 381 B6R1.2 CC1CCCN1 Z1274177652 [2,0,0,0,0,0|1,0,1]=4 382 B6R1.2 NC1CCSC1 Z1267885911 [2,0,0,0,0,0|2,0,0]=4 383 B6R1.2 O=C1CCCN1 Z104472846 [2,0,0,0,0,0|1,0,1]=4 384 B6R1.2 O=C1CCSC1 Z104495638 [2,0,0,0,0,0|1,0,1]=4 385 B6R1.2 OC1CCOC1 Z1124541349 [2,0,0,0,0,0|1,1,0]=4 386 B6R1.2 OC1CCSC1 Z335244836 [2,0,0,0,0,0|1,0,0]=3 387 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [2,0,0,0,0,0|2,0,0]=4 388 B6R1.2 O[C@H]1CCNC1 Z1263714116 [2,0,0,0,0,0|2,0,0]=4 389 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,1,0,0,0|1,0,0]=3 390 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,1,0,0,0|2,0,0]=4 391 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,1,0,0,0|2,0,0]=4 392 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,1,0,0,0|1,0,0]=3 393 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,1,0,0,0|2,0,0]=4 394 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,1,0,0,0|1,1,0]=4 395 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,1,0,0,0|2,0,0]=4 396 B8R0.6 CCCNCC(=O)NC Z104884728 [0,1,1,0,0,0|2,0,0]=4 397 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,1,1,0,0,0|1,0,0]=3 398 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,1,1,0,0,0|2,0,0]=4 399 B8R0.6 CNCCCC(=O)OC Z415636552 [0,1,1,0,0,0|2,0,0]=4 400 B8R0.6 COC(=O)CCCCN Z854942764 [0,1,1,0,0,0|1,0,0]=3 401 B8R0.6 COC(=O)NCCCN Z3772660622 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,1,1,0,0,0|1,0,1]=4 403 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,1,1,0,0,0|1,1,0]=4 404 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,1,1,0,0,0|1,0,1]=4 405 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,1,1,0,0,0|1,0,0]=3 407 B8R0.7 CC(=O)NCCCCN Z600498842 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,1,0,0,0|2,0,0]=4 410 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,1,0,0,0|2,0,0]=4 411 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,1,0,0,0|1,0,0]=3 413 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,1,0,0,0|2,0,0]=4 414 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,1,0,0,0|1,1,0]=4 415 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,1,0,0,0|1,0,0]=3 416 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,1,0,0,0|1,1,0]=4 417 B8R0.7 COCCNCC(=O)N Z1262250392 [0,1,1,0,0,0|1,1,0]=4 418 B8R0.7 COCCNCC(=O)O Z1276446903 [0,1,1,0,0,0|0,1,0]=3 419 B8R0.7 COCCOCC(=O)O Z104477918 [0,1,1,0,0,0|1,1,0]=4 420 B8R0.7 COCCSCC(=O)O Z167837764 [0,1,1,0,0,0|1,1,0]=4 421 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,1,0,0,0|1,0,0]=3 422 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,1,1,0,0,0|0,0,0]=2 423 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,1,0,0,0|1,0,0]=3 424 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,1,0,0,0|1,0,0]=3 425 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,1,0,0,0|0,1,0]=3 426 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,1,0,0,0|2,0,0]=4 427 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,1,0,0,0|2,0,0]=4 428 B8R0.7 O=C(O)CCNCCO Z53116574 [0,1,1,0,0,0|2,0,0]=4 429 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,1,1,0,0,0|1,0,1]=4 430 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,1,0,0,0|2,0,0]=4 431 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,1,0,0,0|2,0,0]=4 433 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,1,0,0,0|2,0,0]=4 434 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,1,0,0,0|2,0,0]=4 435 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,1,0,0,0|1,1,0]=4 436 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,1,0,0,0|1,1,0]=4 437 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,1,0,0,0|1,1,0]=4 438 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,1,0,0,0|1,1,0]=4 439 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,1,0,0,0|1,0,0]=3 440 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,1,0,0,0|1,0,0]=3 441 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,1,0,0,0|1,0,0]=3 443 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,1,0,0,0|1,0,0]=3 444 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,1,0,0,0|1,0,0]=3 445 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,1,1,0,0,0|2,0,0]=4 447 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,1,0,0,0|1,0,0]=3 448 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,1,0,0,0|2,0,0]=4 449 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,1,0,0,0|1,0,1]=4 450 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,1,0,0,0|1,0,0]=3 452 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,1,0,0,0|2,0,0]=4 453 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,1,0,0,0|2,0,0]=4 454 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,1,0,0,0|1,0,1]=4 455 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,1,0,0,0|0,1,1]=4 456 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,1,0,0,0|1,1,0]=4 457 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,1,0,0,0|1,0,0]=3 458 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,1,0,0,0|1,0,0]=3 459 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,1,0,0,0|2,0,0]=4 460 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,1,0,0,0|1,0,0]=3 461 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,1,1,0,0,0|2,0,0]=4 462 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,1,1,0,0,0|2,0,0]=4 463 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,1,0,0,0|2,0,0]=4 464 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,1,1,0,0,0|2,0,0]=4 465 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,1,1,0,0,0|1,0,0]=3 466 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,1,1,0,0,0|2,0,0]=4 467 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,1,1,0,0,0|2,0,0]=4 468 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,1,1,0,0,0|1,1,0]=4 469 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,1,0,0,0|1,0,0]=3 470 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,1,1,0,0,0|1,0,1]=4 472 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,1,1,0,0,0|1,0,1]=4 473 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,1,1,0,0,0|1,0,1]=4 474 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,1,1,0,0,0|2,0,0]=4 477 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,1,0,0,0|1,0,0]=3 480 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,1,0,0,0|1,0,0]=3 481 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,1,0,0,0|1,0,0]=3 482 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,1,0,0,0|2,0,0]=4 483 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,1,0,0,0|1,0,0]=3 484 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,1,0,0,0|1,0,0]=3 485 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,1,0,0,0|1,1,0]=4 486 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,1,0,0,0|0,0,0]=2 487 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,1,0,0,0|1,0,0]=3 488 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,1,1,0,0,0|1,0,1]=4 489 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,1,0,0,0|1,0,0]=3 491 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,1,0,0,0|1,0,0]=3 492 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,1,0,0,0|2,0,0]=4 494 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,1,1,0,0,0|2,0,0]=4 495 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,1,0,0,0|1,0,0]=3 497 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,1,1,0,0,0|1,0,0]=3 499 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,1,1,0,0,0|1,1,0]=4 500 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,1,1,0,0,0|1,1,0]=4 501 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,1,1,0,0,0|0,1,0]=3 502 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,1,1,0,0,0|1,1,0]=4 503 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,1,1,0,0,0|1,0,0]=3 504 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,1,0,0,0|2,0,0]=4 505 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,1,0,0,0|1,0,0]=3 506 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,1,0,0,0|2,0,0]=4 507 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,1,1,0,0,0|1,0,0]=3 508 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,1,1,0,0,0|1,0,0]=3 509 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,1,1,0,0,0|0,1,0]=3 511 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,1,1,0,0,0|1,1,0]=4 512 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,1,0,0,0|1,0,0]=3 513 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,1,0,0,0|1,0,1]=4 514 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,1,0,0,0|0,1,1]=4 515 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,1,0,0,0|0,1,1]=4 516 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,1,0,0,0|0,1,1]=4 517 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,1,0,0,0|1,0,0]=3 519 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,1,0,0,0|1,0,0]=3 520 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,1,0,0,0|1,0,0]=3 521 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,1,0,0,0|1,0,0]=3 522 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,1,0,0,0|2,0,0]=4 523 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,1,0,0,0|1,0,1]=4 526 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,1,0,0,0|2,0,0]=4 527 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,1,0,0,0|0,1,1]=4 528 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,1,0,0,0|2,0,0]=4 530 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,1,0,0,0|2,0,0]=4 531 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,1,0,0,0|2,0,0]=4 532 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,1,0,0,0|2,0,0]=4 533 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,1,0,0,0|2,0,0]=4 534 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,1,0,0,0|2,0,0]=4 536 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,1,1,0,0,0|2,0,0]=4 537 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,1,1,0,0,0|1,1,0]=4 538 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,1,1,0,0,0|1,0,0]=3 539 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,1,0,0,0|2,0,0]=4 540 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,1,1,0,0,0|2,0,0]=4 541 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,1,1,0,0,0|1,1,0]=4 542 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,1,1,0,0,0|1,0,0]=3 543 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,1,1,0,0,0|1,0,0]=3 545 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.1 OCC1CC(CN1)F Z1753033006 [1,1,0,0,0,0|1,0,1]=4 547 B8R1.8 COCC1CCCN1 Z1342208414 [1,1,0,0,0,0|1,0,1]=4 548 B8R1.8 O/N=C/C1CCOC1 Z218486076 [1,1,0,0,0,0|1,1,0]=4 549 B8R1.8 O=CCC1CCCC1 Z993017732 [1,1,0,0,0,0|2,0,0]=4 550 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,1,0,0,0,0|1,1,0]=4 552 B8R1.8 OCCC1CCCN1 Z1198148537 [1,1,0,0,0,0|1,0,1]=4 553 B8R1.11 CC1CCCC1C=O Z1268606470 [1,1,0,0,0,0|2,0,0]=4 554 B8R1.11 CC1CCNC1CO Z1203831515 [1,1,0,0,0,0|1,0,1]=4 555 B8R1.11 CC1OCCC1C=O Z1342837783 [1,1,0,0,0,0|1,1,0]=4 556 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,1,0,0,0,0|2,0,0]=4 557 B8R1.52 CC1(CCCO1)C=O Z1389061333 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.52 CC1(CCCS1)C=O Z1455206494 [1,1,0,0,0,0|2,0,0]=4 559 B8R1.52 CC1(CCOC1)C=O Z1511835334 [1,1,0,0,0,0|1,1,0]=4 560 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,0,1,0|1,0,0]=3 562 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,0,1,0|1,0,0]=3 563 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,1,0,0,1,0|2,0,0]=4 564 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,0,1,0|1,0,0]=3 565 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,0,1,0|1,0,1]=4 566 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,0,1,0|1,0,0]=3 567 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,0,1,0|1,0,0]=3 568 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,0,1,0|1,0,1]=4 569 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,0,1,0|1,0,0]=3 570 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,0,1,0|2,0,0]=4 571 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,0,1,0|2,0,0]=4 572 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,0,1,0|1,0,0]=3 573 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,0,1,0|2,0,0]=4 574 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,0,1,0|2,0,0]=4 575 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,0,1,0|1,0,0]=3 576 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,0,1,0|2,0,0]=4 577 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,0,1,0|1,0,0]=3 578 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,0,1,0|0,1,0]=3 579 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,0,1,0|2,0,0]=4 580 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,0,1,0|2,0,0]=4 581 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,0,1,0|2,0,0]=4 582 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,0,1,0|1,0,0]=3 583 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,0,1,0|1,0,0]=3 584 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,0,1,0|1,0,0]=3 585 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,0,1,0|1,0,0]=3 586 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,0,0,1|1,0,0]=3 591 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,0,0,1|1,0,0]=3 592 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,0,0,1|1,0,0]=3 595 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,0,0,1|1,0,0]=3 596 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,0,0,1|0,1,0]=3 597 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,0,0,1|0,1,0]=3 598 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,1,0,0,0,1|1,0,0]=3 608 B10R1.15 CNC(=O)C1CCCCN1 Z234895123 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.15 CNC(=O)C1CCCNC1 Z1266933838 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.15 CNC(=O)C1COCCN1 Z1457934852 [0,1,0,0,0,1|1,1,0]=4 611 B10R1.15 COC(=O)C1C=CCCN1 Z3676740630 [0,1,0,0,0,1|1,0,1]=4 612 B10R1.15 COC(=O)C1CC=CCC1 Z18245232 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.15 COC(=O)C1CC=CCN1 Z3488197781 [0,1,0,0,0,1|1,0,0]=3 614 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,0,0,1|1,0,0]=3 616 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,0,0,1|0,0,0]=2 617 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,0,0,1|0,1,0]=3 619 B10R1.15 COC(=O)C1SCCCS1 Z1255444891 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.28 CS(=O)(=O)C1CSCCN1 Z1245735324 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.28 O=S(=O)(O)C1CCCNC1 Z1255420883 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,0,0,1|1,1,0]=4 624 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,0,0,1|1,0,0]=3 625 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,0,0,1|1,0,0]=3 626 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,0,0,1|1,0,0]=3 627 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,0,0,1|1,0,0]=3 628 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,0,0,1|1,0,0]=3 629 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,0,0,1|1,0,0]=3 630 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,0,0,1|1,0,0]=3 631 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,0,0,1|1,0,0]=3 632 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,0,0,1|0,1,0]=3 633 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,0,0,1|1,0,1]=4 635 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,0,0,1|1,1,0]=4 644 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,0,0,1|1,0,0]=3 645 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,0,0,1|1,0,0]=3 648 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,0,0,1|0,1,0]=3 650 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,0,0,1|1,0,0]=3 651 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,0,0,1|1,0,0]=3 653 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,0,0,1|1,0,0]=3 654 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,1,0,0,0,1|1,1,0]=4 656 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,0,0,1|1,0,0]=3 663 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,1,0,0,0,1|0,0,0]=2 664 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,0,0,1|0,1,1]=4 665 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,1,0,0,0,1|1,0,1]=4 667 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.363 CC1(CC=CCO1)C(=O)O Z3072907252 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,0,0,1|1,0,0]=3 672 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,0,0,1|1,0,0]=3 674 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,0,0,1|1,1,0]=4 675 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,0,0,1|1,1,0]=4 677 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,0,0,1|1,0,0]=3 678 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,1,0,0,0,1|2,0,0]=4 680 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,0,0,1|1,0,0]=3 683 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,0,0,1|1,1,0]=4 684 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,0,0,1|1,1,0]=4 687 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,0,0,1|1,1,0]=4 691 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,0,0,1|1,1,0]=4 693 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,0,0,1|1,1,0]=4 694 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,0,0,1|1,0,0]=3 695 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.27 COC(=O)/C=C\1/CCCN1 Z2186882659 [0,1,0,0,0,1|1,0,1]=4 700 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [0,1,0,0,0,1|1,0,0]=3 701 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.64 O=C(O)CN1CSCC1=O Z56347574 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,1,0,0,0,1|1,1,0]=4 711 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,1,0,0,0,1|1,0,0]=3 714 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [0,2,0,0,0,0|1,0,0]=3 717 B10R1.11 CCOC(=O)C1CCOC1 Z802555350 [0,2,0,0,0,0|1,1,0]=4 718 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,2,0,0,0,0|1,0,1]=4 721 B10R1.14 COC(=O)C1CNC(=O)N1 Z1179764312 [0,2,0,0,0,0|1,0,1]=4 722 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [0,2,0,0,0,0|2,0,0]=4 724 B10R1.149 COC(=O)C1CCCN1C Z905213162 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.149 COC(=O)C1CCOC1C Z1263715989 [0,2,0,0,0,0|1,1,0]=4 726 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Z1955367646 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.411 COC(=O)C1(CCNC1)C Z1095320068 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.411 COC(=O)C1(CCNC1)F Z2082999782 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.411 COC(=O)C1(CCSC1)N Z3674923303 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N Z1262618373 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,2,0,0,0,0|1,0,0]=3 741 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,2,0,0,0,0|1,0,1]=4 743 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,2,0,0,0,0|1,0,1]=4 749 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,2,0,0,0,0|0,1,1]=4 751 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,2,0,0,0,0|1,0,0]=3 752 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.194 CN1C(=O)CCC1C(=O)O Z1021465860 [0,2,0,0,0,0|1,0,1]=4 755 B10R1.194 CN1C(=O)NCC1C(=O)O Z1203832384 [0,2,0,0,0,0|1,0,1]=4 756 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Z1504684863 [0,2,0,0,0,0|1,0,1]=4 757 B10R1.194 CN1C(=O)OCC1C(=O)O Z1813205659 [0,2,0,0,0,0|0,1,1]=4 758 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,2,0,0,0,0|2,0,0]=4 759 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,2,0,0,0,0|0,0,0]=2 765 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,2,0,0,0,0|1,0,0]=3 766 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,2,0,0,0,0|1,0,1]=4 768 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,2,0,0,0,0|1,0,1]=4 772 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,2,0,0,0,0|1,1,0]=4 777 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,2,0,0,0,0|1,1,0]=4 779 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,2,0,0,0,0|1,0,0]=3 781 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,2,0,0,0,0|1,0,0]=3 783 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,2,0,0,0,0|1,1,0]=4 786 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,2,0,0,0,0|1,1,0]=4 792 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,2,0,0,0,0|2,0,0]=4 793 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.477 CCC1(CCCC1)C(=O)O Z995181136 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.477 CCC1(CCCN1)C(=O)O Z1552026999 [0,2,0,0,0,0|1,0,0]=3 796 B10R1.477 CCC1(CCNC1)C(=O)O Z1483991480 [0,2,0,0,0,0|2,0,0]=4 797 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.477 COC1(CCCC1)C(=O)O Z803492216 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.477 COC1(CCNC1)C(=O)O Z2865944502 [0,2,0,0,0,0|2,0,0]=4 800 B10R1.477 COC1(CCSC1)C(=O)O Z803492126 [0,2,0,0,0,0|1,0,0]=3 801 B10R1.477 N#CC1(CCCC1)C(=O)O Z104346706 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.477 N#CC1(CCNC1)C(=O)O Z1255404052 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.477 NCC1(CCCC1)C(=O)O Z1495988402 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.477 O=C(O)C1(CCNC1)CO Z3476101268 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,1,1,0,0|2,0,0]=4 806 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,0,1,1,0,0|2,0,0]=4 807 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,1,1,0,0|2,0,0]=4 808 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,1,1,0,0|2,0,0]=4 809 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,1,1,0,0|2,0,0]=4 810 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,1,1,0,0|1,0,0]=3 811 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,1,1,0,0|2,0,0]=4 812 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,1,1,0,0|1,0,0]=3 813 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,1,1,0,0|2,0,0]=4 814 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,1,1,0,0|1,0,0]=3 815 B8R1.5 CC1NCCNC1=O Z336079670 [0,0,1,1,0,0|2,0,0]=4 816 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,1,1,0,0|2,0,0]=4 817 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,1,1,0,0|2,0,0]=4 818 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,1,1,0,0|1,0,0]=3 819 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,0,1,1,0,0|2,0,0]=4 820 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,1,1,0,0|1,0,0]=3 821 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,1,1,0,0|2,0,0]=4 822 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,1,1,0,0|2,0,0]=4 823 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,1,1,0,0|1,0,0]=3 824 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,1,1,0,0|2,0,0]=4 825 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,0,1,1,0,0|1,0,0]=3 826 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,0,1,1,0,0|2,0,0]=4 827 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,0,1,1,0,0|2,0,0]=4 828 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,0,1,1,0,0|1,1,0]=4 829 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,1,1,0,0|2,0,0]=4 830 B8R2.34 C1=CC2CC1CN2 Z2677505952 [1,0,0,1,0,0|2,0,0]=4 831 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [1,0,0,1,0,0|1,0,1]=4 832 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,1,0|2,0,0]=4 833 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [0,0,0,1,0,1|2,0,0]=4 834 B10R2.61 O=C1NC2CNCC1C2 Z2696515575 [0,0,0,1,0,1|2,0,0]=4 835 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,1|1,0,0]=3 836 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,0,1|1,0,0]=3 837 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,0,1|1,0,0]=3 838 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,0,1|1,1,0]=4 839 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,0,1|1,0,0]=3 840 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,0,1|2,0,0]=4 841 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,1,0,1|2,0,0]=4 842 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,0,1|1,0,0]=3 843 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,1|1,0,0]=3 844 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [0,0,0,1,0,1|1,1,0]=4 845 B10R2.2 O=C1C[C@@H]2CSC[C@@H]2C1 Z1513645855 [0,0,0,1,0,1|2,0,0]=4 846 B10R2.2 O=C1N[C@@H]2CNC[C@@H]2O1 Z3858041825 [0,0,0,1,0,1|2,0,0]=4 847 B10R2.2 O=C1N[C@@H]2COC[C@@H]2O1 Z3354065858 [0,0,0,1,0,1|1,1,0]=4 848 B10R2.2 O=C1OC2COCC2O1 Z2787476626 [0,0,0,1,0,1|1,1,0]=4 849 B10R2.2 O=C1O[C@H]2CNC[C@H]2O1 Z3052052262 [0,0,0,1,0,1|2,0,0]=4 850 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [0,1,0,1,0,0|2,0,0]=4 851 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [0,1,0,1,0,0|1,0,0]=3 852 B10R2.178 O=C1NCC2CCC1N2 Z1203749107 [0,1,0,1,0,0|2,0,0]=4 853 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,1,0,1,0,0|2,0,0]=4 854 B10R2.348 NC(=O)C12CC(C1)CN2 Z2587654810 [0,1,0,1,0,0|2,0,0]=4 855 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,1,0,1,0,0|1,0,0]=3 856 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,0,1,0|1,0,0]=3 857 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,0,2,0|2,0,0]=4 858 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,0,0,2,0|1,0,1]=4 859 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,0,1,0,0,1|2,0,0]=4 860 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,0,1,0,0,1|2,0,0]=4 861 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,0,1,0,0,1|2,0,0]=4 862 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,0,0,1|2,0,0]=4 863 B8R1.2 C=CC1CCCNC1 Z2740400893 [1,0,0,0,0,1|2,0,0]=4 864 B8R1.2 NCC1CSCCN1 Z1203585142 [1,0,0,0,0,1|1,0,1]=4 865 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,1|1,0,1]=4 866 B8R1.2 O=CC1CC=CCC1 Z57936862 [1,0,0,0,0,1|2,0,0]=4 867 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,0,0,1|2,0,0]=4 868 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,0,0,1|2,0,0]=4 869 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,0,0,1|1,1,0]=4 870 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,1|1,0,0]=3 871 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,0,0,1|1,1,0]=4 872 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,0,0,1|1,0,0]=3 873 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,0,0,0,1|1,0,1]=4 874 B8R1.2 OCC1CCCNC1 Z104479614 [1,0,0,0,0,1|1,0,1]=4 875 B8R1.2 OCC1CCSCC1 Z1198266791 [1,0,0,0,0,1|1,0,1]=4 876 B8R1.2 OCC1COCCN1 Z2513335525 [1,0,0,0,0,1|0,1,1]=4 877 B8R1.2 OCC1CSCCN1 Z1203733048 [1,0,0,0,0,1|0,0,1]=3 878 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,0,0,0,1|1,0,1]=4 879 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,0,0,2|1,1,0]=4 880 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,0,0,2|2,0,0]=4 881 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,0,0,2|2,0,0]=4 882 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,0,0,2|2,0,0]=4 883 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,0,0,0,0,2|1,1,0]=4 884 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,0,0,0,0,2|2,0,0]=4 885 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,2|1,0,1]=4 886 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,2|2,0,0]=4 887 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,2|2,0,0]=4 888 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,2|1,0,0]=3 889 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,2|2,0,0]=4 890 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,2|1,0,0]=3 891 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,2|1,1,0]=4 892 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,0,0,2|1,1,0]=4 893 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,0,0,2|1,0,0]=3 894 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,2|2,0,0]=4 895 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,2|0,1,0]=3 896 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,2|1,0,0]=3 897 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,0,0,2|2,0,0]=4 898 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,0,0,2|2,0,0]=4 899 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,0,0,2|1,0,0]=3 900 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,0,0,2|1,0,0]=3 901 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,0,0,2|1,1,0]=4 902 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,0,0,2|1,0,0]=3 903 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,0,0,0,0,2|2,0,0]=4 904 B10R1.66 O=C(O)C#CC1CCOC1 Z1235950936 [0,0,0,0,0,2|1,1,0]=4 905 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,0,0,0,2|2,0,0]=4 906 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,0,0,0,2|1,0,0]=3 907 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,0,0,0,2|2,0,0]=4 908 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,0,0,0,2|2,0,0]=4 909 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,0,0,0,2|1,1,0]=4 910 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,0,0,0,0,2|2,0,0]=4 911 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,0,0,0,0,2|2,0,0]=4 912 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,0,0,0,0,2|2,0,0]=4 913 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,0,0,0,0,2|1,1,0]=4 914 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,0,0,0,0,2|2,0,0]=4