0 B9R0.17 CCCN(CCC)CCN CSC011200929 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.17 CCCN(CCC)CCO CSC000698546 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.17 CCCN(CCO)CCO CSC011476307 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.17 CCOC(CSC)OCC CSC000757930 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.17 OCCN(CCO)CC=C CSC000225910 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.79 CC(O)CN(CCO)CCO CSC011215414 [0,1,0,0,0,0|2,0,0]=3 6 B10R0.79 CCCN(CCC)CC(=O)C CSC000180475 [0,1,0,0,0,0|0,0,1]=2 7 B10R0.79 CCCN(CCC)CC(C)O CSC011366134 [0,1,0,0,0,0|0,0,0]=1 8 B10R0.90 CCCCN(CCO)CCO CSC000225912 [0,1,0,0,0,0|2,0,0]=3 9 B10R0.90 OCCN(CCO)CCC#N CSC000177799 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,0,0,1,0,0|0,0,0]=1 11 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.5 NCC1CCCN1CC=C CSC011662265 [0,0,0,1,0,0|1,0,2]=4 14 B10R1.5 NCCN1CCCC1CN CSC010258945 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.5 OCC1CCCN1CC#N CSC011473912 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.5 OCCN1CCCC1CO CSC011473972 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.5 OC[C@H]1CCCN1CC#N CSC011594317 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.10 CC1CN(CCN1)CCN CSC016152131 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.10 CC1CN(CCO1)CCN CSC000748911 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.10 CC1CN(CCS1)CC=C CSC016025637 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.10 CCCN1CCC=C(C1)F CSC046127184 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [0,0,0,1,0,0|0,0,0]=1 24 B10R1.10 CCCN1CCCC(C1)N CSC011435248 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.10 CCCN1CCSC(C1)C CSC047903786 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.10 CCNC1CCCC(C1)C CSC000201243 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.10 C[C@@H]1CN(CCN1)CCN CSC033394115 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.10 C[C@H]1CN(CCN1)CCN CSC032213674 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.10 NCCN1CCCC(C1)N CSC046225246 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.10 NCCN1CCCC(C1)O CSC011318664 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.10 NCCN1CCC[C@H](C1)N CSC046095498 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.10 NCCN1CCC[C@H](C1)O CSC010278773 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.10 OC1CCCN(C1)CC#N CSC000234452 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.10 O[C@H]1CCCN(C1)CC#N CSC014194703 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.85 C=CCN1CCCNCC1 CSC011220860 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|0,0,0]=1 37 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,0,0,1,0,0|2,0,0]=3 38 B10R1.85 N#CCN1CCCOCC1 CSC011599115 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.85 NCCN1CCCOCC1 CSC000709817 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.85 OCCN1CCCOCC1 CSC011783524 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.131 CC1CN(CC1N)CCN CSC034576240 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.131 CCCN1CC(C(C1)C)C CSC046148204 [0,0,0,1,0,0|0,0,0]=1 43 B9R0.12 CCCN(CC)C(=O)CN CSC011283607 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.15 CC(C)N(CCO)CCO CSC000225911 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.15 CCCN(CCC)C(=O)C CSC000159103 [1,1,0,0,0,0|0,0,1]=3 46 B9R0.40 CCCC(CC)NCCO CSC011608062 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.40 CCCCN(CC)CCN CSC011208488 [1,1,0,0,0,0|1,0,0]=3 48 B11R0.35 CC(C)CN(CCN)CC(C)C CSC011320166 [0,2,0,0,0,0|1,0,0]=3 49 B11R0.35 CC(O)CN(CCO)CC(C)O CSC011995691 [0,2,0,0,0,0|1,0,0]=3 50 B11R0.279 CCCN(CCC)CC(O)CC CSC011366135 [0,2,0,0,0,0|0,0,0]=2 51 B11R0.80 CCCCCN(CCO)CCO CSC000225913 [0,2,0,0,0,0|2,0,0]=4 52 B11R0.80 CCCN(CCC)CCCC#N CSC000225050 [0,2,0,0,0,0|0,0,0]=2 53 B11R0.158 CCCCN(CCCC)CC#C CSC000225067 [0,2,0,0,0,0|0,0,2]=4 54 B11R0.158 CCCCN(CCN)CCCC CSC011218293 [0,2,0,0,0,0|1,0,0]=3 55 B11R0.158 CCCCN(CCO)CCCC CSC000227989 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.8 NCCN1CCSCC1 CSC000755026 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.5 CCCN1CCSCCC1C CSC046126505 [0,1,0,1,0,0|1,0,0]=3 58 B11R1.13 CCCN1CCOC(C1C)C CSC049113804 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.13 CCCN1CCSC(C1C)C CSC047426109 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.23 CCC(=O)N1CCCC(C1)C CSC000158584 [0,1,0,1,0,0|0,0,1]=3 61 B11R1.23 CCC(=O)N1CCCC(C1)N CSC011448211 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.23 CCC(=O)N1CCCC(C1)O CSC011196166 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.23 CCC(=O)N1CCC[C@@H](C1)O CSC014194176 [0,1,0,1,0,0|1,0,1]=4 64 B11R1.23 CCC(=O)N1CCC[C@H](C1)N CSC013922359 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.23 CCC(C)N1CCC=C(C1)C CSC015324494 [0,1,0,1,0,0|0,0,2]=4 66 B11R1.23 CCC(C)N1CCOC(C1)C CSC015387323 [0,1,0,1,0,0|1,0,0]=3 67 B11R1.23 CCC(C)N1CCO[C@H](C1)C CSC015443214 [0,1,0,1,0,0|1,0,0]=3 68 B11R1.23 CCC(C)N1CCSC(C1)C CSC015336202 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.41 CCC1CCCCN1CCN CSC000755458 [0,1,0,1,0,0|1,0,0]=3 70 B11R1.41 CCCN1CCOCC1CC CSC047969828 [0,1,0,1,0,0|0,0,0]=2 71 B11R1.59 CCC(=O)N1CCCC1CN CSC011917856 [0,1,0,1,0,0|1,0,1]=4 72 B11R1.59 CCC(=O)N1CCCC1CO CSC011474038 [0,1,0,1,0,0|1,0,1]=4 73 B11R1.59 CCC(=O)N1CCC[C@@H]1CO CSC012446565 [0,1,0,1,0,0|1,0,1]=4 74 B11R1.59 CCC(=O)N1CCC[C@H]1CO CSC012003344 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.182 CCCN1CC(OCC1C)C CSC046101414 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.226 CCC(=O)N1CC(C(C1)N)C CSC014043241 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.852 CCC(=O)N1CCCCCC1 CSC000157761 [0,1,0,1,0,0|0,0,1]=3 78 B11R1.34 CC1CN(CC(S1)C)CC=C CSC016158559 [0,1,0,1,0,0|0,0,2]=4 79 B11R1.34 CCCN1CC(CC(C1)C)C CSC046700224 [0,1,0,1,0,0|0,0,0]=2 80 B11R1.34 CCCN1CC(SC(C1)C)C CSC046697304 [0,1,0,1,0,0|0,0,0]=2 81 B11R1.34 CCCN1C[C@H](O[C@H](C1)C)C [0,1,0,1,0,0|0,0,0]=2 82 B11R1.34 C[C@H]1CN(C[C@H](O1)C)CCN [0,1,0,1,0,0|1,0,0]=3 83 B11R1.57 CC(O)CN1CCCC1CO CSC011473977 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.57 CC(O)CN1CCC[C@@H]1CO CSC012446890 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.57 CCC1CCCC1NC(C)C CSC012885013 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.80 CC1CN(CC1C)CC(=C)C CSC046182739 [0,1,0,1,0,0|0,0,1]=3 87 B11R1.110 CC1CN(CCCO1)CCO CSC011783513 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.110 CC1CSCCN(C1)CC=C CSC015731132 [0,1,0,1,0,0|0,0,2]=4 89 B11R1.110 CCCN1CCSCC(C1)C CSC046079792 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.157 CC(C)CN1CCOC(C1)C CSC046208235 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.157 CC(C)CN1CCO[C@H](C1)C CSC015826093 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.157 CC(C)CN1CCSC(C1)C CSC047798161 [0,1,0,1,0,0|1,0,0]=3 93 B11R1.157 CC(C)NC1CCCC(C1)C CSC000200238 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.157 CC(N)CN1CCCC(C1)C CSC000744601 [0,1,0,1,0,0|0,0,0]=2 95 B11R1.157 CC(O)CN1CCCC(C1)O CSC011477882 [0,1,0,1,0,0|1,0,0]=3 96 B11R1.157 CC(O)CN1CCC[C@@H](C1)O CSC014194658 [0,1,0,1,0,0|1,0,0]=3 97 B11R1.157 CC1CCCN(C1)CC(=C)C CSC046241438 [0,1,0,1,0,0|0,0,1]=3 98 B11R1.157 CC1CCCN(C1)CC(=O)C CSC000180394 [0,1,0,1,0,0|0,0,1]=3 99 B11R1.157 CC1CN(CCS1)CC(=C)C CSC048989636 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.188 CC1(CN(CC1O)CCO)C CSC015300860 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.342 CCCN1CCOC(C1)(C)C CSC046732743 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.342 CCCN1CCSC(C1)(C)C CSC046677600 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.742 CC(C)CN1CCCNCC1 CSC000246740 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.742 CC(C)NC1CCCCCC1 CSC000200198 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.742 CC(N)CN1CCCCCC1 CSC000707713 [0,1,0,1,0,0|0,0,0]=2 106 B11R1.742 CC(N)CN1CCCNCC1 CSC013874637 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.742 CC(N)CN1CCCOCC1 CSC011783123 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.742 CC(O)CN1CCCCCC1 CSC011366126 [0,1,0,1,0,0|0,0,0]=2 109 B11R1.742 CC(O)CN1CCCOCC1 CSC011783528 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.24 CC#CCN1CCSC(C1)C CSC049021327 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.24 CC1CCCC(C1)NCCF CSC012814183 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.24 CC1CCCN(C1)CCCF CSC016052343 [0,1,0,1,0,0|0,0,0]=2 113 B11R1.24 CC1CN(CCN1)CCCN CSC015620312 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.24 CC1CN(CCO1)CCC#N CSC000241726 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.24 CCCCN1CCOC(C1)C CSC015426280 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.24 CCCCN1CCO[C@H](C1)C CSC015827533 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.24 CCCNC1CCCC(C1)C CSC000201679 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.24 COCCN1CCCC(C1)C CSC046097459 [0,1,0,1,0,0|0,0,0]=2 119 B11R1.24 CSCCN1CCCC(C1)C CSC046223031 [0,1,0,1,0,0|0,0,0]=2 120 B11R1.24 CSCCN1CCSC(C1)C CSC049101027 [0,1,0,1,0,0|1,0,0]=3 121 B11R1.24 OC1CCCN(C1)CCC#N CSC000178039 [0,1,0,1,0,0|1,0,1]=4 122 B11R1.24 OCCCN1CCCC(C1)O CSC000213728 [0,1,0,1,0,0|1,0,0]=3 123 B11R1.24 OCCCN1CCC[C@@H](C1)O CSC014194709 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.24 O[C@H]1CCCN(C1)CCC#N CSC014194584 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.109 COCC1CCCN1CCN CSC010278135 [0,1,0,1,0,0|1,0,0]=3 126 B11R1.109 COCC1CCCN1CCO CSC021656350 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.135 CCCN1CCSC(CC1)C CSC046126865 [0,1,0,1,0,0|1,0,0]=3 128 B11R1.189 CCCC1CN(CCO1)CC CSC015951768 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.189 CCCN1CCOC(C1)CC CSC048375204 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.189 CCN1CCCC(C1)CNC CSC011236291 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.189 CCN1CCCC(C1)CSC CSC046562855 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.189 CNC1CCCN(C1)CCN CSC046139826 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.189 COC1CCCN(C1)CCN CSC012178895 [0,1,0,1,0,0|1,0,0]=3 134 B11R1.189 COC1CCCN(C1)CCO CSC012621545 [0,1,0,1,0,0|1,0,0]=3 135 B11R1.203 CCCCN1CCCNCC1 CSC011194251 [0,1,0,1,0,0|1,0,0]=3 136 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,1,0,1,0,0|1,0,0]=3 137 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|0,0,0]=2 138 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|0,0,0]=2 139 B11R1.203 COCCN1CCCNCC1 CSC000740549 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.203 CSCCN1CCCCCC1 CSC000209152 [0,1,0,1,0,0|0,0,0]=2 141 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,1,0,1,0,0|0,0,0]=2 142 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.203 N#CCCN1CCCCCC1 CSC000177402 [0,1,0,1,0,0|0,0,1]=3 144 B11R1.203 N#CCCN1CCCOCC1 CSC011599129 [0,1,0,1,0,0|1,0,1]=4 145 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,1,0,1,0,0|0,0,0]=2 146 B11R1.203 NCCCN1CCCNCC1 CSC011455967 [0,1,0,1,0,0|1,0,0]=3 147 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|0,0,0]=2 148 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.231 CC#CCN1CC(C(C1)C)C CSC046090517 [0,1,0,1,0,0|0,0,1]=3 150 B11R1.231 CC1CN(CC1C)CCCF CSC015336033 [0,1,0,1,0,0|0,0,0]=2 151 B11R1.231 COCCN1CC(C(C1)C)C CSC046202329 [0,1,0,1,0,0|0,0,0]=2 152 B11R1.231 CSCCN1CC(C(C1)C)C CSC046127785 [0,1,0,1,0,0|0,0,0]=2 153 B11R2.248 OCCN1CC2CCC1C2 CSC011499663 [0,0,0,2,0,0|1,0,0]=3