0 B9R0.2 C#CCOCCNC(=O)C AIFCHEM-94535591115 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.2 CCCNCCOC(C)C AIFCHEM-94569022755 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 CCNCCCCN(C)C AIFCHEM-94537420638 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 CCNCCCN(C)C AIFCHEM-94537412068 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.3 CCCN(C)CCCC(=O)O AIFCHEM-94569009330 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.4 CC(=O)SCCCNCCO AIFCHEM-94577779442 [0,1,0,0,0,0|1,1,0]=3 17 B10R0.4 CCCCCCNCC(C)C AIFCHEM-94572974669 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,1,0,0,0,0|0,0,0]=1 23 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [0,1,0,0,0,0|3,0,0]=4 24 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.55 CCC(=O)NCCOC(=O)C AIFCHEM-94526504575 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.74 C#CCCCCNC(=O)CC AIFCHEM-94526502812 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.74 COC(=O)CNCCCSC AIFCHEM-94546184206 [0,1,0,0,0,0|3,0,0]=4 29 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.75 CCCCCN[C@@H](C)C(=O)N AIFCHEM-94530163499 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.75 CCCCCN[C@H](C)C(=O)N AIFCHEM-94551436255 [0,1,0,0,0,0|3,0,0]=4 32 B10R0.78 CC(=O)NCC(C)NCCO AIFCHEM-6411504762 [0,1,0,0,0,0|3,0,0]=4 33 B10R0.78 CC(=O)OCC(=O)NCCF AIFCHEM-5801311393 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.78 CC(=O)OCC(C)NCCF AIFCHEM-94599181147 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.78 CC(=O)OCC(C)NCCO AIFCHEM-94577779797 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.78 CCCNC(=O)CNC(=O)C AIFCHEM-5815297073 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.78 CCCNC(C)CCC(=O)O AIFCHEM-94569012120 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.78 CCCNC(C)COC(=O)C AIFCHEM-94599171235 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.78 CCCOC(=O)CNC(=O)C AIFCHEM-94602837602 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.10 CCCN1CCOC(C1)O AIFCHEM-94569022595 [0,0,0,1,0,0|1,0,2]=4 41 B10R1.16 O=C1CC(CN1)NCCO AIFCHEM-6481479666 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.18 CC(=O)NC1CC=CCC1 AIFCHEM-94605350304 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [0,0,0,1,0,0|1,0,0]=2 48 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [0,0,0,1,0,0|1,0,0]=2 49 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.127 O=C(O)CCNC1CCC1 AIFCHEM-94576044203 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [0,0,0,1,0,0|2,0,0]=3 52 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [2,0,0,0,0,0|1,0,1]=4 53 B9R0.5 CC(CCO)NCOC=O AIFCHEM-94595107777 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.47 CCCCN[C@@H](C)C(=O)O AIFCHEM-94523039192 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 CCCCN[C@H](C)C(=O)O AIFCHEM-94523036726 [1,1,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|2,0,0]=4 72 B11R0.46 CCCCNC(=O)CNC(=O)C AIFCHEM-5745656731 [0,2,0,0,0,0|1,0,1]=4 73 B11R0.46 CCCCNC(=O)CSC(=O)C AIFCHEM-94528296999 [0,2,0,0,0,0|0,1,1]=4 74 B11R0.46 CSCCNC(=O)COC(=O)C AIFCHEM-94598927034 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.111 CC(=O)SCCCNC(C)CO AIFCHEM-94560869242 [0,2,0,0,0,0|1,1,0]=4 76 B11R0.111 CC(=O)SCCCN[C@@H](C)CO AIFCHEM-94560865238 [0,2,0,0,0,0|1,1,0]=4 77 B11R0.111 CC(=O)SCCCN[C@H](C)CO AIFCHEM-94560866305 [0,2,0,0,0,0|1,1,0]=4 78 B11R0.148 CCCCCNCCCC(=O)N AIFCHEM-94551425838 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.148 CCNCCCCCCC(=O)O AIFCHEM-94537427208 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.148 CCNCCCCCNC(=O)C AIFCHEM-94537420207 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.148 CSCCCNCCCS(=O)C AIFCHEM-94546178921 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.148 CSCCCNCCNC(=O)N AIFCHEM-94546178871 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.148 CSCCCNCCOC(=O)C AIFCHEM-94546179307 [0,2,0,0,0,0|0,0,0]=2 84 B11R0.159 CCCCNCCOC(C)(C)C AIFCHEM-94523036695 [0,2,0,0,0,0|1,0,1]=4 85 B11R0.176 CC(=O)OCCNC(C)CCO AIFCHEM-5620925463 [0,2,0,0,0,0|1,0,0]=3 86 B11R0.176 CC(=O)SCCCN(C)CCO AIFCHEM-94548505819 [0,2,0,0,0,0|1,1,0]=4 87 B11R0.176 CCCC(C)NCCNC(=O)C AIFCHEM-94606107925 [0,2,0,0,0,0|1,0,0]=3 88 B11R0.176 CCCC(C)NCCNC(=O)N AIFCHEM-94606114378 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.68 CC(=O)OC(C)C(C)NCCF AIFCHEM-5853710713 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.154 CCCCNC(C)CC(=O)NC AIFCHEM-94570971721 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.22 CCC(CC)NCCOC(=O)C AIFCHEM-94538325062 [0,2,0,0,0,0|1,0,0]=3 92 B11R0.22 CCN(CC)CCCNC(=O)C AIFCHEM-5682587890 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.29 CC(=O)OCCNC(=O)C(C)C AIFCHEM-94545046113 [0,2,0,0,0,0|1,0,1]=4 94 B11R0.29 CC(=O)OCCNC(=O)C(C)O AIFCHEM-94571303791 [0,2,0,0,0,0|1,0,1]=4 95 B11R0.29 CC(=O)OCCNC(=O)[C@@H](C)O AIFCHEM-5606698176 [0,2,0,0,0,0|1,0,1]=4 96 B11R0.29 CC(=O)OCCNC(=O)[C@H](C)O AIFCHEM-5590570595 [0,2,0,0,0,0|1,0,1]=4 97 B11R0.4 C#CCC(=O)NCCCCCC AIFCHEM-94575442415 [0,2,0,0,0,0|1,0,0]=3 98 B11R0.4 C#CCC(=O)NCCCOCC AIFCHEM-6286531673 [0,2,0,0,0,0|2,0,0]=4 99 B11R0.4 CCCCCCNC(=O)CC#N AIFCHEM-94571773439 [0,2,0,0,0,0|1,0,0]=3 100 B11R0.4 CCCCCNCC(=O)NCC AIFCHEM-94551435148 [0,2,0,0,0,0|2,0,0]=4 101 B11R0.4 CCOCCCNC(=O)CC#N AIFCHEM-94559919680 [0,2,0,0,0,0|2,0,0]=4 102 B11R0.4 CCOCCCNC(=O)CCO AIFCHEM-6254100354 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.4 CCOCCCNC(=O)CSC AIFCHEM-6274067116 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.70 CCCCN(C)CCC(=O)NC AIFCHEM-94523038530 [0,2,0,0,0,0|2,0,0]=4 105 B11R0.70 CCCNC(C)CCC(=O)OC AIFCHEM-5792700904 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.70 CCCN[C@@H](C)CCC(=O)OC AIFCHEM-94569013347 [0,2,0,0,0,0|2,0,0]=4 107 B11R0.76 CCCCCCN(CC)C(=O)C AIFCHEM-99350844007 [0,2,0,0,0,0|1,0,0]=3 108 B11R0.76 CCOCCCN(CC)C(=O)C AIFCHEM-99350442684 [0,2,0,0,0,0|2,0,0]=4 109 B11R0.85 CC(=O)OCC(C)NCC(C)C AIFCHEM-94599184693 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.85 CC(=O)OCC(C)NCC(C)O AIFCHEM-94599184694 [0,2,0,0,0,0|1,0,0]=3 111 B11R0.85 CC(=O)OCC(C)NCC(F)F AIFCHEM-94599184830 [0,2,0,0,0,0|2,0,0]=4 112 B11R0.85 CC(=O)OCC(C)NC[C@@H](C)O AIFCHEM-94599178938 [0,2,0,0,0,0|1,0,0]=3 113 B11R0.85 CC(=O)OCC(C)NC[C@H](C)O AIFCHEM-94599178939 [0,2,0,0,0,0|1,0,0]=3 114 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.17 O=COCNC1CCC1 AIFCHEM-94576055850 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.17 O=COCNC1COC1 AIFCHEM-94595108229 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.96 CCN1CC[C@H]1C(=O)N AIFCHEM-94567088427 [1,0,0,1,0,0|2,0,0]=4 119 B11R1.120 CCCN1CC(C1)OC(=O)C AIFCHEM-94569011856 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.135 CCCN1CCNC(=O)CC1 AIFCHEM-94569015196 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.157 CC(=O)NC1CCCN(C1)C AIFCHEM-94605357313 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.157 CC(=O)N[C@@H]1CCCN(C1)C AIFCHEM-94605335337 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C AIFCHEM-6024056835 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.166 CC(=O)N1CCC(=O)CC1C AIFCHEM-6081613937 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.166 CC(=O)N1CCC(=O)C[C@@H]1C AIFCHEM-94605356281 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.166 CC(=O)N1CCC(=O)C[C@H]1C AIFCHEM-5740994481 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.24 CCCCN1CCOC(C1)C AIFCHEM-94523039599 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.24 CCCCN1CCO[C@@H](C1)C AIFCHEM-94583860502 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.24 CCCCN1CCO[C@H](C1)C AIFCHEM-94579467693 [0,1,0,1,0,0|1,0,1]=4 130 B11R1.24 CCCNC1CCNC(=O)C1 AIFCHEM-94569013012 [0,1,0,1,0,0|1,0,0]=3 131 B11R1.27 CCCCNC1CNC(=O)C1 AIFCHEM-94570972996 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.27 CCCCN[C@H]1CNC(=O)C1 AIFCHEM-94523033306 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.27 CCCNCC1CCC(=O)N1 AIFCHEM-94569009564 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.27 CCCNC[C@@H]1CCC(=O)N1 AIFCHEM-94569015803 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.27 CCCNC[C@H]1CCC(=O)N1 AIFCHEM-94569013841 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.27 O=C1CC(CN1)NCCCO AIFCHEM-6421329747 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94605355983 [0,1,0,1,0,0|1,0,0]=3 138 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,1,0,1,0,0|1,0,0]=3 139 B11R1.91 CC(=O)NCC1CCOCC1 AIFCHEM-5666836565 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.91 CC(=O)NCC1COCCO1 AIFCHEM-5625727366 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.91 CC(=O)NC[C@@H]1COCCO1 AIFCHEM-94535591864 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.91 CC(=O)NC[C@H]1COCCO1 AIFCHEM-5834331878 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.174 CC(=O)NCCNC1COC1 AIFCHEM-5921509747 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.174 O=C(O)NCCNC1CCC1 AIFCHEM-94535743622 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.193 CCCN1CCCC1C(=O)O AIFCHEM-94569020567 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.193 CCCN1CCC[C@@H]1C(=O)O AIFCHEM-94569017577 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.193 CCCN1CCC[C@H]1C(=O)O AIFCHEM-94569022460 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.193 COC[C@@H]1CCCN1C(=O)C AIFCHEM-94605354948 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.193 COC[C@H]1CCCN1C(=O)C AIFCHEM-5942050058 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.77 CC(=O)NC(C)C1CCOC1 AIFCHEM-94533168353 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.39 CCC(=O)N[C@@H]1COC(=O)C1 AIFCHEM-94526500203 [0,1,0,1,0,0|1,0,1]=4 152 B11R1.39 CCC(=O)N[C@H]1COC(=O)C1 AIFCHEM-94526500204 [0,1,0,1,0,0|1,0,1]=4 153 B11R1.237 COC(=O)CCCNC1CC1 AIFCHEM-94592437840 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.237 COC(=O)CCNCC1CC1 AIFCHEM-6173958767 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.13 CCCN1CCNC(=O)C1C AIFCHEM-94569016072 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.13 CCCN1CCNC(=O)[C@@H]1C AIFCHEM-94569022530 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.13 CCCN1CCNC(=O)[C@H]1C AIFCHEM-94569024217 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.25 C#CC(=O)NCC1CCCC1 AIFCHEM-94573925864 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.25 O=C(CO)NCC1CCCC1 AIFCHEM-94532683931 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 AIFCHEM-94532680107 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.25 O=C(CO)NC[C@H]1CCCO1 AIFCHEM-94552583621 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.40 O=C(CO)NC1CCCOC1 AIFCHEM-94532684792 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.40 O=C(CO)N[C@@H]1CCCOC1 AIFCHEM-94532676794 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.40 O=C(CO)N[C@H]1CCCOC1 AIFCHEM-6136630525 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.59 O=C(CO)N1CCC[C@H]1CF AIFCHEM-94532685697 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.115 CCCN1CCC1C(=O)OC AIFCHEM-94569013447 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.236 COC(=O)CNCC1CCC1 AIFCHEM-6212836390 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.35 CC(=O)N(C)CC1CCOC1 AIFCHEM-5860426371 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.231 CCNCC1CC(=O)N(C1)C AIFCHEM-94537427268 [0,1,0,1,0,0|2,0,0]=4 170 B11R2.351 O=C1CC(CO1)NC2CC2 AIFCHEM-94573316446 [0,0,0,2,0,0|1,0,0]=3 171 B11R2.352 O=C1CC(CN1)N2CCC2 AIFCHEM-94604922161 [0,0,0,2,0,0|2,0,0]=4 172 B11R2.352 O=C1CC(CO1)N2CCC2 AIFCHEM-94604922678 [0,0,0,2,0,0|1,0,0]=3 173 B11R2.845 CC(=O)N1CC2CC1CO2 AIFCHEM-94605357500 [0,0,0,2,0,0|2,0,0]=4 174 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CO2 AIFCHEM-94605351981 [0,0,0,2,0,0|2,0,0]=4 175 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 AIFCHEM-5699598960 [0,0,0,2,0,0|2,0,0]=4