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Z2470415380 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,0,0,0|0,0,0]=0 27 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,0,0,0,0,0|1,0,2]=3 31 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.1 NCC1COC(=O)N1 Z2130644119 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 O=C1CC(CN1)CO Z1201625841 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,0,0,0|0,0,1]=2 45 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,0,0,0|0,0,1]=2 46 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [1,0,0,0,0,0|0,0,3]=4 58 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,0,0,0|1,0,1]=3 65 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,0,0,0|0,0,1]=2 66 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,0,0,0|0,0,1]=2 77 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,0,0,0|0,0,1]=2 79 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,1,0,0,0,0|0,0,0]=1 82 B10R1.14 COC(=O)C1CNC(=N)C1 Z3759788251 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.14 COC(=O)C1CNC(=O)C1 Z839052972 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.14 COC(=O)C1CNC(=O)N1 Z1179764312 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.14 COC(=O)C1CNC(=O)O1 Z1203733132 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.31 O=CC1=CC=C(N1)C(=O)O Z1198223703 [0,1,0,0,0,0|0,0,3]=4 94 B10R1.58 CN1C=C(NC1=O)C(=O)O Z1205495049 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.58 CN1CC(CC1=O)C(=O)N Z365255930 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,1,0,0,0,0|1,0,2]=4 100 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,1,0,0,0,0|1,0,2]=4 101 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,1,0,0,0,0|1,0,2]=4 104 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1N Z4549416712 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,1,0,0,0,0|0,0,0]=1 106 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,1,0,0,0,0|1,0,2]=4 109 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.194 CN1C(=O)CCC1C(=O)O Z1021465860 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.194 CN1C(=O)NCC1C(=O)O Z1203832384 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Z1504684863 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.194 CN1C(=O)OCC1C(=O)O Z1813205659 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,1,0,0,0,0|1,0,1]=3 118 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,0,1,0,0,0|1,0,1]=3 128 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,0,1,0,0,0|1,0,0]=2 129 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,0,1,0,0,0|1,0,2]=4 131 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,0,0|2,0,1]=4 132 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,1,0,0,0|1,0,1]=3 133 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,1,0,0,0|1,0,1]=3 135 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,1,0,0,0|1,0,1]=3 136 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,1,0,0,0|2,0,0]=3 139 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,1,0,0,0|2,0,0]=3 143 B8R0.8 N#CCCC(N)C(=O)N Z4876440061 [0,0,1,0,0,0|2,0,1]=4 144 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,1,0,0,0|1,0,1]=3 145 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,1,0,0,0|1,0,1]=3 146 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,1,0,0,0|1,0,1]=3 147 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,1,0,0,0|1,0,0]=2 150 B8R0.9 CCC(=O)NC=C(Cl)Cl Z57906704 [0,0,1,0,0,0|2,0,1]=4 151 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,1,0,0,0|0,0,0]=1 152 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,1,0,0,0|2,0,1]=4 153 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,1,0,0,0|1,0,1]=3 154 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,1,0,0,0|2,0,1]=4 155 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,1,0,0,0|2,0,0]=3 157 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,0,1,0,0,0|1,0,0]=2 158 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,0,1,0,0,0|2,0,1]=4 159 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,1,0,0,0|2,0,0]=3 160 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,0,1,0,0,0|1,0,0]=2 161 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,1,0,0,0|1,0,0]=2 163 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,0,1,0,0,0|1,0,1]=3 165 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,0,1,0,0,0|2,0,1]=4 166 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,1,0,0,0|3,0,0]=4 169 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,0,1,0,0,0|0,0,0]=1 170 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,0,1,0,0,0|0,0,0]=1 171 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,0,1,0,0,0|0,0,0]=1 172 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,0,1,0,0,0|1,0,1]=3 174 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,0,1,0,0,0|2,0,1]=4 175 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,0,1,0,0,0|2,0,0]=3 176 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,1,0,0,0|2,0,0]=3 179 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,1,0,0,0|2,0,1]=4 180 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,0,1,0,0,0|1,0,0]=2 181 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,0,1,0,0,0|2,0,1]=4 182 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,1,0,0,0|3,0,0]=4 185 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,1,0,0,0|3,0,0]=4 186 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,1,0,0,0|3,0,0]=4 188 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,1,0,0,0|3,0,0]=4 189 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,1,0,0,0|3,0,0]=4 190 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,1,0,0,0|3,0,0]=4 191 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,1,0,0,0|3,0,0]=4 192 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,1,0,0,0|2,0,1]=4 193 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,1,0,0,0|1,0,0]=2 194 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,1,0,0,0|2,0,1]=4 195 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,1,0,0,0|2,0,0]=3 196 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,1,0,0,0|2,0,0]=3 197 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,1,0,0,0|2,0,1]=4 198 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,1,0,0,0|1,0,1]=3 199 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,1,0,0,0|2,0,1]=4 200 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,1,0,0,0|2,0,1]=4 201 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,1,0,0,0|2,0,0]=3 202 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,1,0,0,0|0,0,0]=1 203 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,1,0,0,0|2,0,0]=3 204 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,1,0,0,0|1,0,0]=2 205 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,1,0,0,0|1,0,0]=2 206 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,1,0,0,0|1,0,0]=2 207 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,1,0,0,0|1,0,0]=2 208 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,1,0,0,0|2,0,0]=3 209 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,1,0,0,0|2,0,0]=3 210 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,1,0,0,0|2,0,0]=3 211 B10R2.178 O=C1NCC2CCC1N2 Z1203749107 [0,0,0,1,0,0|2,0,1]=4 212 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,0,0,1,0,0|1,0,2]=4 213 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,0|1,0,1]=3 214 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,0,0,0,1,0|2,0,1]=4 215 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,0,1,0|2,0,1]=4 216 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,0,1,0|3,0,0]=4 217 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,0,1,0|2,0,0]=3 218 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,0,1,0|2,0,1]=4 219 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,0,1,0|1,0,0]=2 220 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,0,1,0|1,0,1]=3 221 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,0,1,0|1,0,1]=3 222 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,0,1,0|1,0,1]=3 223 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.13 CC(=O)N1CCC(=O)CC1 Z33618658 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,0,0,0,0,1|2,0,1]=4 227 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,0,0,1|1,0,1]=3 228 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,0,0,1|1,0,1]=3 229 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,0,0,0,0,1|2,0,1]=4 231 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,0,0,1|1,0,1]=3 232 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,0,0,1|1,0,1]=3 233 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,0,0,1|2,0,1]=4 234 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,0,0,1|2,0,1]=4 235 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,0,0,1|1,0,0]=2 237 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.13 NC(=O)N1CCC(=O)CC1 Z203241936 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,0,0,1|1,0,1]=3 240 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,0,0,0,0,1|1,0,2]=4 242 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,0,0,1|0,0,2]=3 243 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,0,0,1|1,0,1]=3 244 B10R1.13 O=C1C=CC(=NN1)C(=O)O Z56878668 [0,0,0,0,0,1|0,0,3]=4 245 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,0,0,1|0,0,1]=2 246 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,0,0,1|1,0,0]=2 247 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,0,0,1|0,0,0]=1 248 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,0,0,1|1,0,0]=2 249 B10R1.54 CC(=O)CC1CCC(=O)N1 Z1416183404 [0,0,0,0,0,1|1,0,0]=2 250 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,0,0,1|2,0,1]=4 252 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,0,0,1|2,0,1]=4 254 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.54 O=C(O)CN1N=NC(=O)N1 Z1205655871 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.113 CC(C)C1CCCC(=O)N1 Z1203748309 [0,0,0,0,0,1|2,0,1]=4 258 B10R1.113 CC(C)C1CNCC(=O)N1 Z1198172722 [0,0,0,0,0,1|2,0,1]=4 259 B10R1.113 CC(C)C1COCC(=O)N1 Z1203831510 [0,0,0,0,0,1|2,0,1]=4 260 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,0,0,1|2,0,1]=4 261 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,0,0,1|2,0,1]=4 262 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,0,0,1|2,0,1]=4 263 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,0,0,1|2,0,1]=4 264 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,0,0,1|1,0,1]=3 266 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,0,0,1|1,0,1]=3 269 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,0,0,1|2,0,1]=4 271 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,0,0,0,0,1|2,0,1]=4 272 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,0,0,1|2,0,1]=4 274 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,0,0,1|1,0,2]=4 276 B10R1.113 O=C1C=CC=C(N1)C(=O)O Z359371306 [0,0,0,0,0,1|0,0,3]=4 277 B10R1.113 O=C1C=NC=C(N1)C(=O)O Z1821397992 [0,0,0,0,0,1|0,0,3]=4 278 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,0,0,1|1,0,0]=2 279 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,0,0,1|0,0,0]=1 280 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,0,0,1|0,0,0]=1 281 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,0,0,1|0,0,0]=1 282 B7R0.3 C#CCNC(=O)CC Z220957516 [1,0,1,0,0,0|1,0,1]=4 283 B7R0.3 C=CCNC(=O)CCl Z56899047 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.3 CCC(=O)NCCN Z1455674775 [1,0,1,0,0,0|1,0,1]=4 285 B7R0.3 CCCNC(=O)CC Z33030426 [1,0,1,0,0,0|1,0,1]=4 286 B7R0.3 CNC(=O)NCCO Z177090556 [1,0,1,0,0,0|1,0,1]=4 287 B7R0.3 NCC(=O)NCCO Z401366912 [1,0,1,0,0,0|1,0,1]=4 288 B7R0.3 O=C(CO)NCCO Z1203732626 [1,0,1,0,0,0|1,0,1]=4 289 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,1,0,0,0|1,0,0]=3 290 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|1,0,1]=4 294 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|0,0,1]=3 296 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,1]=4 297 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,1,0,0,0|0,0,2]=4 305 B7R0.4 NC(=O)COCCO Z1198148880 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.4 NC(=O)NCCCO Z198194722 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|0,0,1]=3 309 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,1,0,0,0|1,0,1]=4 310 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,1,0,0,0|1,0,1]=4 311 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,1,0,0,0|1,0,1]=4 312 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,1]=4 313 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|0,1,1]=4 314 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,1,0,0,0|1,0,1]=4 315 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,1,0,0,0|1,0,1]=4 316 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,1,0,0,0|0,0,1]=3 318 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,1,0,0,0|0,0,1]=3 319 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,1,0,0,0|2,0,0]=4 320 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,1,0,0,0|0,0,0]=2 321 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,1,0,0,0|0,0,1]=3 323 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,1,0,0,0|0,0,1]=3 324 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,1,0,0,0|0,0,1]=3 325 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,1,0,0,0|0,0,1]=3 326 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,1,0,0,0|2,0,0]=4 328 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,1,0,0,0|1,0,1]=4 330 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,1,0,0,0|2,0,0]=4 331 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,1,0,0,0|1,0,0]=3 333 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,1,0,0,0|0,0,1]=3 334 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,1,0,0,0|2,0,0]=4 335 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,1,0,0,0|1,0,0]=3 336 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,1,0,0,0|2,0,0]=4 337 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,1,0,0,0|0,0,1]=3 338 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,1,0,0,0|0,0,1]=3 339 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,1,0,0,0|1,0,0]=3 340 B7R0.6 CC(=O)NCB(O)O Z1198183387 [1,0,1,0,0,0|1,0,1]=4 341 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,1,0,0,0|0,0,0]=2 342 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,0,1,0,0,0|1,0,1]=4 343 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,1,0,0,0|2,0,0]=4 345 B7R0.6 N=C(N)NCC(=O)O Z586248684 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,1,0,0,0|1,0,0]=3 347 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [1,0,1,0,0,0|2,0,0]=4 349 B7R0.12 O=CNC(CO)CO Z1259117052 [1,0,1,0,0,0|1,0,1]=4 350 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,0,1,0,0,0|1,0,1]=4 351 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,1,0,0,0|0,0,1]=3 352 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,1,0,0,0|1,0,1]=4 353 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,1,0,0,0|1,0,1]=4 354 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,0,1,0,0,0|1,0,1]=4 355 B7R1.1 O=CC1CC=CC1 Z1504676872 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.1 O=CC1CCCC1 Z875036058 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.1 O=CC1CCOC1 Z199056102 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.1 O=CC1CCSC1 Z1201681645 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.1 OCC1CCCN1 Z825308062 [2,0,0,0,0,0|0,0,2]=4 360 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [2,0,0,0,0,0|0,0,2]=4 361 B7R1.2 CC1CCC(=O)N1 Z1250132456 [2,0,0,0,0,0|0,0,1]=3 362 B7R1.2 CC1CCC(=O)O1 Z963595138 [2,0,0,0,0,0|1,0,1]=4 363 B7R1.2 CC1CNC(=O)N1 Z1203730895 [2,0,0,0,0,0|1,0,1]=4 364 B7R1.2 CN1CCC(=O)N1 Z1618125551 [2,0,0,0,0,0|1,0,1]=4 365 B7R1.2 O=C1CC(CN1)O Z1198157723 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.2 O=C1CCC(=O)N1 Z57127349 [2,0,0,0,0,0|0,0,1]=3 367 B7R1.2 O=C1CCC(=O)O1 Z57127506 [2,0,0,0,0,0|1,0,1]=4 368 B7R1.2 O=C1CNC(=O)N1 Z57131035 [2,0,0,0,0,0|1,0,1]=4 369 B7R1.2 O=C1COC(=O)N1 Z56762271 [2,0,0,0,0,0|1,0,1]=4 370 B7R1.2 O=C1CSC(=O)N1 Z57131032 [2,0,0,0,0,0|1,0,1]=4 371 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,1,0,0,0|1,0,1]=4 372 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,1,0,0,0|1,0,1]=4 373 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,1,0,0,0|0,0,0]=2 374 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,1,0,0,0|1,0,1]=4 375 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,1,0,0,0|1,0,0]=3 376 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,1,0,0,0|0,0,0]=2 377 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,1,0,0,0|0,0,0]=2 378 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,1,0,0,0|0,0,0]=2 379 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,1,0,0,0|0,0,0]=2 380 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,1,0,0,0|0,0,0]=2 381 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,1,0,0,0|0,0,0]=2 382 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,1,0,0,0|1,0,1]=4 383 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,1,1,0,0,0|1,0,1]=4 384 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,1,1,0,0,0|1,0,1]=4 385 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,1,1,0,0,0|1,0,1]=4 386 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,1,0,0,0|1,0,1]=4 388 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,1,1,0,0,0|1,0,1]=4 389 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,1,0,0,0|1,0,0]=3 390 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,1,0,0,0|1,0,1]=4 392 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,1,0,0,0|0,0,2]=4 393 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,1,0,0,0|0,1,1]=4 394 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,1,0,0,0|1,0,1]=4 395 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,1,0,0,0|1,0,1]=4 396 B9R0.23 C=CC(=O)N(C)CC(=O)O Z316091412 [0,1,1,0,0,0|0,0,2]=4 397 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,1,1,0,0,0|2,0,0]=4 398 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,1,1,0,0,0|1,0,0]=3 399 B9R0.24 CNC(=O)CNC(=O)CCl Z147651804 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,1,1,0,0,0|2,0,0]=4 401 B9R0.24 COC(=O)CNC(=O)CCl Z56867315 [0,1,1,0,0,0|1,0,0]=3 402 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,1,1,0,0,0|0,0,0]=2 403 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,1,1,0,0,0|1,0,0]=3 404 B9R0.48 CCOC(=O)/C=C/C(=O)O Z2315575179 [0,1,1,0,0,0|1,0,1]=4 405 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,1,1,0,0,0|1,0,0]=3 406 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,1,1,0,0,0|0,0,0]=2 407 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,1,1,0,0,0|1,0,1]=4 408 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,1,1,0,0,0|0,0,0]=2 409 B9R0.64 CCS(=O)(=O)NCC(=O)O Z54814318 [0,1,1,0,0,0|1,0,0]=3 410 B9R0.64 CNS(=O)(=O)NCC(=O)O Z1721258711 [0,1,1,0,0,0|2,0,0]=4 411 B9R0.12 CCNC(CC)C(=O)OC Z2903872428 [0,1,1,0,0,0|1,0,1]=4 412 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [0,1,1,0,0,0|1,0,1]=4 413 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,1,1,0,0,0|1,0,0]=3 415 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,1,0,0,0|1,0,0]=3 416 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,1,1,0,0,0|0,0,0]=2 417 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,1,1,0,0,0|1,0,1]=4 418 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,1,1,0,0,0|1,0,0]=3 420 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,1,0,0,0|2,0,0]=4 421 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,1,0,0,0|1,0,0]=3 422 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,1,1,0,0,0|0,0,0]=2 423 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,1,1,0,0,0|2,0,0]=4 424 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,1,0,0,0|2,0,0]=4 425 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [0,1,1,0,0,0|1,0,0]=3 426 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [0,1,1,0,0,0|1,0,0]=3 427 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,1,0,0,0|2,0,0]=4 428 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,1,1,0,0,0|2,0,0]=4 429 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,1,1,0,0,0|2,0,0]=4 430 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [0,1,1,0,0,0|0,0,1]=3 431 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,1,0,0,0|1,0,0]=3 432 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,1,1,0,0,0|2,0,0]=4 435 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,1,0,0,0|2,0,0]=4 436 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,1,1,0,0,0|1,0,0]=3 437 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,1,1,0,0,0|1,0,0]=3 438 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,1,1,0,0,0|2,0,0]=4 439 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,1,1,0,0,0|1,0,0]=3 440 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,1,1,0,0,0|2,0,0]=4 441 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,1,1,0,0,0|1,0,0]=3 442 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,1,1,0,0,0|2,0,0]=4 443 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.7 N#CCC1CCC(=O)N1 Z255150040 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.125 CC1(CCC(=O)N1)C#N Z1201626413 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [1,1,0,0,0,0|0,0,1]=3 449 B9R1.125 CC1(COC(=O)N1)CO Z1255419299 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.132 CN1C(=O)CCC1C=O Z1513985273 [1,1,0,0,0,0|0,0,0]=2 451 B9R1.132 CN1C(=O)CCC1CO Z1255502015 [1,1,0,0,0,0|0,0,1]=3 452 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.11 COC(=O)C1CCCC1 Z18376105 [1,1,0,0,0,0|1,0,1]=4 455 B9R1.11 COC(=O)C1CCCN1 Z240133664 [1,1,0,0,0,0|0,0,1]=3 456 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.11 COC(=O)C1CCOC1 Z802555348 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [1,1,0,0,0,0|0,0,1]=3 462 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,1,0,0,0,0|0,0,1]=3 465 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,1,0,0,0,0|0,0,1]=3 468 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,1,0,0,0,0|0,0,1]=3 469 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,1,0,0,0,0|0,0,1]=3 472 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,1,0,0,0,0|0,0,1]=3 473 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,1,0,0,0,0|1,0,1]=4 476 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,1,0,0,0,0|1,0,1]=4 477 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,1,0,0,0,0|0,0,1]=3 479 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,1,0,0,0,0|0,0,1]=3 481 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,1,0,0,1,0|0,0,0]=2 493 B9R1.82 O=C1CC(C1)C(=O)CCl Z4500871483 [0,1,0,0,1,0|2,0,0]=4 494 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,0,1,0|2,0,0]=4 495 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,0,1,0|1,0,0]=3 496 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Z2786078634 [0,1,0,0,1,0|1,0,1]=4 497 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,0,1,0|1,0,1]=4 498 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,0,1,0|1,0,1]=4 499 B11R1.3 CCC1CCC(NC1)C(=O)O Z4108992291 [0,1,0,0,0,1|1,0,1]=4 500 B11R1.3 O=CC1=CNC(CC1)C(=O)O Z3446087356 [0,1,0,0,0,1|0,0,0]=2 501 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.21 CC1CC(CCC1=O)C(=O)O Z1262513284 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,0,0,1|1,0,1]=4 504 B11R1.21 CN1CC(CCC1=O)C(=O)O Z765034166 [0,1,0,0,0,1|0,0,0]=2 505 B11R1.21 CN1CC(NCC1=O)C(=O)O Z3004727554 [0,1,0,0,0,1|1,0,0]=3 506 B11R1.21 CN1N=C(CCC1=O)C(=O)N Z168362628 [0,1,0,0,0,1|1,0,1]=4 507 B11R1.21 CN1N=C(CCC1=O)C(=O)O Z137399464 [0,1,0,0,0,1|0,0,1]=3 508 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O Z4076052338 [0,1,0,0,0,1|1,0,1]=4 509 B11R1.22 COC(=O)C1CCC(=O)NC1 Z795248068 [0,1,0,0,0,1|0,0,0]=2 510 B11R1.22 COC(=O)C1CCC(CN1)F Z4186160352 [0,1,0,0,0,1|1,0,1]=4 511 B11R1.22 COC(=O)C1CCC(CN1)O Z2867491134 [0,1,0,0,0,1|0,0,2]=4 512 B11R1.22 COC(=O)C1CCC(NC1)C Z3211706034 [0,1,0,0,0,1|1,0,1]=4 513 B11R1.22 COC(=O)N1CCC(=O)CC1 Z192978298 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)F Z4438428643 [0,1,0,0,0,1|1,0,1]=4 515 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.166 CC1CC(C(CN1)C(=O)O)C Z3213439686 [0,1,0,0,0,1|1,0,1]=4 517 B11R1.166 CC1CCC(C(=O)N1)C(=O)O Z1262552841 [0,1,0,0,0,1|1,0,1]=4 518 B11R1.166 CC1CCC(C(N1)C)C(=O)O Z2379448768 [0,1,0,0,0,1|1,0,1]=4 519 B11R1.166 CC1CNC(C(C1)C)C(=O)O Z3251990496 [0,1,0,0,0,1|1,0,1]=4 520 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,1,0,0,0,1|1,0,1]=4 521 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,1,0,0,0,1|0,0,0]=2 523 B11R1.220 CC1(COC(=O)OC1)C(=O)O Z1216826472 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.220 CC1=CCC(CC1)(C)C(=O)O Z1262511092 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,1,0,0,0,1|1,0,1]=4 526 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Z826527398 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,1,0,0,0,1|1,0,0]=3 528 B11R1.39 COC(=O)/C=C\1/NC(=O)CS1 Z56853857 [0,1,0,0,0,1|1,0,1]=4 529 B11R1.39 COC(=O)CC1CCC(=O)N1 Z1198183496 [0,1,0,0,0,1|0,0,0]=2 530 B11R1.313 CN1C(=O)CCC1CC(=O)O Z1201625519 [0,1,0,0,0,1|0,0,0]=2 531 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Z2255110079 [0,1,0,0,0,1|0,0,0]=2 533 B11R1.645 O=C(O)CC1NC(=O)NC1=O Z57662377 [0,1,0,0,0,1|1,0,1]=4 534 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Z57162030 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,1,0,0,0,1|1,0,0]=3 536 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,0,0,1|0,0,0]=2 537 B11R1.23 COC(=O)C1CCN=C(C1)N Z2379802693 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.23 COC(=O)C1CCNC(=O)C1 Z1255401784 [0,1,0,0,0,1|1,0,0]=3 539 B11R1.23 COC(=O)C1CNNC(=O)C1 Z1198152912 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,1,0,0,0,1|1,0,1]=4 541 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,1,0,0,0,1|1,0,0]=3 542 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,0,0,1|0,0,0]=2 543 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,0,0,1|1,0,1]=4 544 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O Z337709370 [0,1,0,0,0,1|1,0,1]=4 545 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,1,0,0,0,1|0,0,1]=3 546 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,0,0,1|0,0,0]=2 547 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,0,0,1|1,0,1]=4 548 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,0,0,1|1,0,1]=4 549 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,0,0,1|1,0,1]=4 550 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,1,0,0,0,1|1,0,1]=4 551 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 Z1762997260 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)C=O Z3033510991 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.226 COC(=O)C1CC(=O)N(C1)C Z379855212 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.48 CCN1CC(CC1=O)C(=O)O Z111495996 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.48 CON1CC(CC1=O)C(=O)O Z1649358097 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,2,0,0,0,0|1,0,1]=4 558 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,2,0,0,0,0|1,0,1]=4 560 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,2,0,0,0,0|1,0,1]=4 562 B11R1.489 CC1(NC(=O)CC1C(=O)O)C Z2681264981 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.489 CC1(OC(=O)CC1C(=O)O)C Z1201617404 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.515 CN1C(CCS1(=O)=O)C(=O)O Z1504680896 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,1,1,0,0|2,0,0]=4 566 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,1,1,0,0|1,0,1]=4 567 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,1,1,0,0|1,0,1]=4 568 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,1,1,0,0|2,0,0]=4 569 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,1,1,0,0|1,0,1]=4 570 B9R1.69 NC1CCC(=O)NC1=O Z1474026683 [0,0,1,1,0,0|1,0,0]=3 571 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,1,1,0,0|1,0,1]=4 572 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,1,1,0,0|1,0,1]=4 573 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,0,1,1,0,0|1,0,0]=3 574 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,1,1,0,0|1,0,1]=4 575 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,1,1,0,0|1,0,1]=4 576 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,0,1,1,0,0|1,0,1]=4 577 B9R1.33 O=CCC1CCOC1=O Z1511761046 [0,0,1,1,0,0|1,0,0]=3 578 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,1,1,0,0|2,0,0]=4 579 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,1,1,0,0|2,0,0]=4 580 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,1,1,0,0|2,0,0]=4 581 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [0,0,1,1,0,0|1,0,0]=3 582 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,0,1,1,0,0|1,0,1]=4 583 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,0,1,1,0,0|1,0,1]=4 584 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [0,0,1,1,0,0|1,0,1]=4 585 B9R2.33 O=C1C[C@@H]2C=C[C@@H]2N1 Z4138892911 [1,0,0,1,0,0|1,0,0]=3 586 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [1,0,0,1,0,0|1,0,1]=4 587 B11R2.66 O=C1C[C@@H]2CCC(=O)[C@@H]2O1 Z4417659299 [0,0,0,1,0,1|1,0,0]=3 588 B11R2.66 O=C1OC2CNC(=O)C2O1 Z3211979075 [0,0,0,1,0,1|2,0,0]=4 589 B11R2.139 O=C1CC2CC(=O)CC2C1 Z1255423453 [0,0,0,1,0,1|2,0,0]=4 590 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [0,0,0,1,0,1|2,0,0]=4 591 B11R2.845 O=C(O)C1CC2CCC1N2 Z2899600133 [0,0,0,1,0,1|1,0,1]=4 592 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,1,0,1|0,0,0]=2 593 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@H]([C@H]2O)O Z3445282486 [0,1,0,1,0,0|0,0,2]=4 594 B11R2.1868 O=C(O)C1CCC2(N1)CC2 Z4655556783 [0,1,0,1,0,0|1,0,1]=4 595 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,0,1,0,1,0|1,0,0]=3 596 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,1,0,1,0|2,0,0]=4 597 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,0,1,0,1,0|2,0,0]=4 598 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,1,0,1,0|1,0,0]=3 599 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,1,0,1,0|1,0,1]=4 600 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,1,0,1,0|1,0,1]=4 601 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,1,0,1,0|0,0,2]=4 602 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,0,1,0,1,0|2,0,0]=4 603 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,0,1,0,1,0|2,0,0]=4 604 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,1,0,1,0|2,0,0]=4 605 B7R1.10 C=C1CC(C1)C=O Z1486007751 [1,0,0,0,1,0|2,0,0]=4 606 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [1,0,0,0,1,0|1,0,0]=3 607 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,0,1,0|1,0,1]=4 608 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,0,1,0|0,0,1]=3 609 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,0,1,0|0,0,0]=2 610 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,0,1,0|1,0,1]=4 611 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,0,1,0|1,0,1]=4 612 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,0,2,0|1,0,1]=4 613 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,0,2,0|1,0,1]=4 614 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,1,0,0,1|1,0,1]=4 615 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,0,1,0,0,1|0,0,0]=2 616 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,0,1,0,0,1|0,0,0]=2 617 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,0,1,0,0,1|0,0,0]=2 618 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,0,1,0,0,1|1,0,0]=3 619 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [1,0,0,0,0,1|2,0,0]=4 620 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [1,0,0,0,0,1|1,0,1]=4 621 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [1,0,0,0,0,1|0,0,1]=3 622 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [1,0,0,0,0,1|0,0,1]=3 623 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [1,0,0,0,0,1|0,0,1]=3 624 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,0,0,1|1,0,1]=4 625 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,0,0,1|1,0,0]=3 626 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,0,0,1|1,0,1]=4 627 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,0,0,1|0,0,1]=3 628 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,0,0,1|2,0,0]=4 629 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,0,0,1|2,0,0]=4 630 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,0,0,1|1,0,1]=4 631 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,0,0,1|2,0,0]=4 632 B11R1.20 CC(=O)NC1CCC(=O)CC1 Z235341209 [0,0,0,0,0,2|2,0,0]=4 633 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,0,0,0,0,2|1,0,0]=3 634 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,0,0,0,0,2|0,0,0]=2 635 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,0,0,0,0,2|1,0,0]=3 636 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,0,0,0,0,2|0,0,0]=2 637 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,0,0,0,0,2|1,0,0]=3 638 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,0,0,2|1,0,0]=3 639 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,0,0,2|1,0,0]=3 640 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,0,0,2|0,0,0]=2 641 B11R1.497 NC(=O)C1CC(=O)NCCN1 Z3688622618 [0,0,0,0,0,2|2,0,0]=4 642 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,0,0,0,0,2|0,0,0]=2