0 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,0,0,0,0,0|1,1,2]=4 1 B7R0.4 CC(C)CCCCN Z1250132304 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.8 C=CCNC(C)(C)C Z2583036183 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.8 CC(C)(C)CCC#N Z819990894 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.8 CC(C)(C)CCCN Z819989370 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.8 CC(C)(C)CCCO Z1183459256 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.8 CC(C)(N)CCCN Z1184860919 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.8 CC(C)(O)CCCO Z1255438724 [1,0,0,0,0,0|0,1,2]=4 8 B7R0.8 CCCCC(C)(C)N Z4437707785 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.8 CNCCC(C)(C)C Z2380417739 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.8 CNCCC(C)(C)N Z2313105672 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.8 COCCC(C)(C)N Z879061970 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.56 CC(C)(C)CC#CC(=O)O Z1205495625 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.56 CC(C)(C)NCCC(=O)N Z382711920 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.19 CC(C)(N)C1CCOC1 Z5899487185 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.66 O=C1CC(CCN1)(F)F Z1198724133 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.87 CC(C)(C)C1CC1C=O Z1511765666 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.133 CC1(OC[C@@H](O1)C=O)C Z446488674 [0,0,0,1,0,0|2,1,0]=4 28 B9R1.133 O=CC1CCC(C1)(F)F Z1989480634 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.148 CC1(CCNCCS1)C Z1681349216 [0,0,0,1,0,0|2,0,1]=4 30 B6R0.4 C=CCCC(C)N Z3681295487 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 C=CCNC(C)C Z607822478 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 C=COCC(C)C Z916978390 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CC(C)CCCN Z992716898 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 CNCCC(C)C Z607822512 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 COCCC(C)N Z361881180 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 COCCC(C)O Z818738042 [2,0,0,0,0,0|0,1,1]=4 37 B6R0.4 COCCN(C)C Z5121096537 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.5 CC(C)(F)CCN Z2515207542 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.5 CC(C)(N)CCF Z4297373689 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.5 CC(C)(N)CCN Z2218555716 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.5 CC(C)(N)CCO Z1198183553 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.5 CCCC(C)(C)N Z1262250787 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.5 CCCC(C)(C)O Z449374450 [2,0,0,0,0,0|0,1,1]=4 44 B6R0.5 COCC(C)(C)N Z1258578421 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.5 C[N+](C)(C)CCO Z2758800560 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.7 CC(C)CCOCCO Z608482468 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,1,0,0,0,0|1,0,0]=3 50 B8R0.28 CC(C)CCNC(=S)N Z56930716 [1,1,0,0,0,0|1,1,0]=4 51 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,1,0,0,0,0|1,1,0]=4 58 B8R0.25 COCCC(C)(O)CN Z879074216 [1,1,0,0,0,0|0,1,1]=4 59 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [1,1,0,0,0,0|0,1,0]=3 69 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,1,0,0,0,0|2,0,0]=4 70 B10R0.65 CC(=O)CCCC(C)(C)CO Z1513606539 [0,2,0,0,0,0|1,1,0]=4 71 B10R0.65 CC(C)(C#N)CCCC(=O)O Z1262522176 [0,2,0,0,0,0|2,0,0]=4 72 B10R0.92 CC(C)(C)CCC(N)C(=O)N Z1889917254 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.92 CC(C)(C)CCC(N)C(=O)O Z819991814 [0,2,0,0,0,0|2,0,0]=4 74 B10R0.92 CC(CCC(C)(C)C)C(=O)O Z819995662 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.15 CC(C)(C)OCCCC(=O)O Z362795386 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.15 CC(C)(C)SCCCC(=O)O Z332377422 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.60 CC(C)(C)CCNC(=O)CCl Z561487404 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.31 CC(C)(C)CC(N)CC(=O)O Z1704732913 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.31 CC(CC(=O)N)CC(C)(C)C Z741559976 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.4 O=C1CC(CCN1)O Z1198221829 [1,0,0,1,0,0|1,1,0]=4 89 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.19 CC1(CCCC1=O)C Z1238544226 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.19 CC1(CCNC1=O)C Z1201628732 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.19 CC1(CCNC1=O)N Z2718904456 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.19 CC1(CCOC1=O)C Z1255431712 [1,0,0,1,0,0|0,0,0]=2 94 B8R1.19 CC1(CCOC1=O)N Z1509069031 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.19 CC1(COCC1=O)C Z1513611826 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.19 CC1(NCCC1=O)C Z3235143689 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.36 O=CCCCC1CC1 Z1511869605 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.41 CC1(CC1)CCC=O Z1511890142 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.41 COCCC1(CC1)N Z2310679165 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [1,0,0,1,0,0|0,1,0]=3 102 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [1,0,0,1,0,0|1,1,0]=4 103 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.53 CC1(CC(C1)C=O)C Z1511834993 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.53 O=CC1CC(C1)(F)F Z1222423887 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.56 CC(C)(O)CC1CO1 Z1504674674 [1,0,0,1,0,0|0,1,1]=4 107 B10R1.55 CC(C)(C)C1CNC(=O)C1 Z1504686498 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.120 CC1(CC(=O)NCC1O)C Z3072496094 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.120 CC1(NC(=O)CCC1N)C Z2009982538 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.120 CC1(NC(=O)NCC1O)C Z4617778412 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.170 CC(C)(C)C1CC(C1)C=O Z2753220505 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.26 CC1(CCC(CC1)C=O)C Z1268606481 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.95 CC1(CCC(C1)CC=O)C Z3271409982 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.95 CC1(OC[C@H](O1)CC=O)C Z1198331579 [0,1,0,1,0,0|1,1,0]=4 115 B10R1.302 CC1(CCNC(=O)CC1)C Z1203733095 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.302 CC1(CCOC(=O)CC1)C Z1278923571 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.485 CC1(CCCC(=O)N1)CN Z3676380655 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.485 CC1(CCCC(=O)N1)CO Z1255400584 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.171 CC1(CC(CCO1)C=O)C Z1198158684 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.171 CC1(CCCC(C1)C=O)C Z1147526330 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.276 CC1(CC(=O)NCCN1)C Z2650436483 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.276 CC1(CCCCC(=O)N1)C Z1509172874 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.329 CC1CC(=O)CC(C1)(C)C Z104472308 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.371 CC1(CC(C1)CC(=O)O)C Z1813149864 [0,1,0,1,0,0|2,0,0]=4 127 B10R2.534 O=C1CCCC2(N1)CC2 Z1255420866 [0,0,0,2,0,0|2,0,0]=4 128 B10R2.403 O=CC1CCC2(C1)CC2 Z1511858323 [0,0,0,2,0,0|2,0,0]=4