0 B12R1.255 CC(=O)NCCNC1CCSC1 MCULE-1114602484 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.255 CC(=O)NCCNC1CCSC1 MCULE-6902628205 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.255 NC(=O)CCCCC1CCSS1 MCULE-3905195412 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.255 NC(=O)CCNCC1CCCO1 MCULE-9163751662 [0,0,0,0,0,0|2,1,0]=3 4 B12R1.255 O=C(O)CCCCC1CCSS1 MCULE-1034910084 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.255 O=C(O)CCCCC1CSSC1 MCULE-2400272112 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.255 O=C(O)CCCCC1OCCO1 MCULE-2471174890 [0,0,0,0,0,0|3,1,0]=4 7 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-4626905282 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-9805744856 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-3939318333 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-5119858094 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-3745351545 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-4196115946 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.255 O=C(O)CCOCC1CCCO1 MCULE-6575689085 [0,0,0,0,0,0|3,1,0]=4 14 B12R1.255 O=C([O-])CCCCC1CCSS1 MCULE-7092697398 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.4 NCCCCCC1CCSS1 MCULE-7441188136 [1,0,0,0,0,0|0,0,1]=2 16 B13R1.536 CNC(=O)CCNCC1CCCO1 MCULE-1654486953 [0,1,0,0,0,0|2,1,0]=4 17 B13R1.536 NNC(=O)CCNCC1CCCO1 MCULE-8054232565 [0,1,0,0,0,0|2,1,0]=4 18 B13R1.1110 NC(CCCC1CCCC1)C(=O)O MCULE-5570934377 [0,1,0,0,0,0|3,0,0]=4 19 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [0,0,1,0,0,0|3,0,0]=4 20 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [0,0,1,0,0,0|3,0,0]=4 21 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [0,0,1,0,0,0|3,0,0]=4 22 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [0,0,1,0,0,0|3,0,0]=4 23 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [0,0,1,0,0,0|3,0,0]=4 24 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [0,0,1,0,0,0|3,0,0]=4 25 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [0,0,1,0,0,0|3,0,0]=4 26 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [0,0,1,0,0,0|3,0,0]=4 27 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [0,0,1,0,0,0|2,0,0]=3 28 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [0,0,1,0,0,0|3,0,0]=4 29 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [0,0,1,0,0,0|3,0,0]=4 30 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [0,0,1,0,0,0|3,0,0]=4 31 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [0,0,1,0,0,0|3,0,0]=4 32 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [0,0,1,0,0,0|3,0,0]=4 33 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [0,0,1,0,0,0|2,0,0]=3 34 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [0,0,1,0,0,0|3,0,0]=4 35 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [0,0,1,0,0,0|3,0,0]=4 36 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [0,0,1,0,0,0|3,0,0]=4 37 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [0,0,1,0,0,0|2,1,0]=4 38 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [0,0,1,0,0,0|2,1,0]=4 39 B11R0.176 O=C(O)CCCCC(Cl)CCCl MCULE-3578422199 [0,0,1,0,0,0|3,0,0]=4 40 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [0,0,1,0,0,0|1,2,0]=4 41 B11R0.176 O=C(O)CCCCC(S)CCS MCULE-3176735035 [0,0,1,0,0,0|1,0,0]=2 42 B11R0.176 O=C(O)CCCC[C@@H](S)CCS MCULE-1048565718 [0,0,1,0,0,0|1,0,0]=2 43 B13R2.13 O=C1CCCC(C1)C2CCOC2 MCULE-1092469205 [0,0,0,1,0,0|2,1,0]=4 44 B13R2.142 O=C1NC(CO1)CC2CCCC2 MCULE-4963170434 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.218 [C@H]12CCN[C@@H]1CCCCC(=O)N2 MCULE-9200443505 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.5551 O=C(O)CCC1CC2CCC1C2 MCULE-4286233335 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.5569 O=C(O)C1CCCC2N1CCC2 MCULE-3008097174 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.5569 O=C(O)C1CCCC2N1CCC2 MCULE-8879144306 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.11149 O=C1CCNCC2(N1)CCNC2 MCULE-5025562129 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.11149 O=C1CCNCC2(N1)CCNC2 MCULE-9104064542 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.11149 O=C1CNCCC2(N1)CCNC2 MCULE-1673882902 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.11149 O=C1CNCCC2(N1)CCNC2 MCULE-4290471958 [0,0,0,1,0,0|3,0,0]=4 53 B11R1.172 NC(=O)CCNC1CCCC1 MCULE-2584575010 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.172 NC(=O)COCC1CCCO1 MCULE-9083267384 [0,0,0,0,1,0|2,1,0]=4 55 B11R1.172 O=C(O)CCCC1CCCC1 MCULE-5735094397 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.172 O=C(O)CCCC1CCSS1 MCULE-1919221477 [0,0,0,0,1,0|1,0,0]=2 57 B11R1.172 O=C([O-])CCCC1CCSS1 MCULE-7764773644 [0,0,0,0,1,0|1,0,0]=2 58 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [0,0,0,0,0,1|3,0,0]=4 59 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,0,0,0,0,1|3,0,0]=4 60 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [0,0,0,0,0,1|3,0,0]=4 61 B13R1.337 O=C(O)CCCCC1CCSSS1 MCULE-5897273262 [0,0,0,0,0,1|1,0,0]=2 62 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [1,0,1,0,0,0|2,0,0]=4 63 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,1,0,0,0|1,1,0]=4 64 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [1,0,1,0,0,0|2,0,0]=4 65 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,1,0,0,0|2,0,0]=4 66 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,1,0,0,0|2,0,0]=4 67 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,1,0,0,0|1,0,0]=3 68 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,1,0,0,0|2,0,0]=4 69 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,1,0,0,0|2,0,0]=4 70 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,1,0,0,0|1,1,0]=4 71 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,1,0,0,0|2,0,0]=4 72 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [1,0,1,0,0,0|1,0,0]=3 73 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,1,0,0,0|2,0,0]=4 74 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,1,0,0,0|2,0,0]=4 75 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [1,0,1,0,0,0|2,0,0]=4 76 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,1,0,0,0|2,0,0]=4 77 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,1,0,0,0|1,1,0]=4 78 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,1,0,0,0|1,0,0]=3 79 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,0,1,0,0,0|2,0,0]=4 80 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,1,0,0,0|2,0,0]=4 81 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,1,0,0,0|2,0,0]=4 82 B10R1.21 NCCCCC1CCCC1 MCULE-2916392587 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.21 NCCCCC1CCCO1 MCULE-5459645657 [2,0,0,0,0,0|1,1,0]=4 84 B10R1.21 NCCCCC1CCCO1 MCULE-7012525648 [2,0,0,0,0,0|1,1,0]=4 85 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [0,1,1,0,0,0|2,0,0]=4 86 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,1,0,0,0|2,0,0]=4 87 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,1,1,0,0,0|2,0,0]=4 88 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,1,1,0,0,0|2,0,0]=4 89 B12R0.248 CCCCCCCCCC(=O)NC MCULE-5903490737 [0,1,1,0,0,0|2,0,0]=4 90 B12R0.248 CCCCCCCCCC(=O)NN MCULE-5225093755 [0,1,1,0,0,0|2,0,0]=4 91 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [0,1,1,0,0,0|2,0,0]=4 92 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [0,1,1,0,0,0|2,0,0]=4 93 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,1,1,0,0,0|1,1,0]=4 94 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-1614349861 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-6974870952 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.13252 N[C@@H]1CS[C@@H]([C@@H]1N)CCCCC(=O)O MCULE-7333603139 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.13252 [NH3+][C@@H]1CS[C@@H]([C@@H]1[NH3+])CCCCC(=O)O MCULE-1506704138 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-7372073941 [0,0,1,1,0,0|2,0,0]=4 99 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-9427535286 [0,0,1,1,0,0|2,0,0]=4 100 B12R1.252 NC(=O)CCCC1CCNCC1 MCULE-8068328020 [0,0,1,1,0,0|2,0,0]=4 101 B12R2.7 O=C1CCCCC12CCCC2 MCULE-2674738319 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.10 O=C1CCCC1C2CCCC2 MCULE-8113761933 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.10 O=C1CCCC1C2CCCN2 MCULE-9553411546 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.114 O=C1CCCC2CNCC2N1 MCULE-8908023981 [0,0,0,1,1,0|2,0,0]=4 105 B12R2.114 O=C1CCC[C@@H]2CNC[C@@H]2N1 MCULE-9416220594 [0,0,0,1,1,0|2,0,0]=4 106 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCN2 MCULE-1453873523 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCN2 MCULE-8235994215 [0,0,0,1,1,0|2,0,0]=4 108 B12R2.1661 NC(=O)CC1CC2CCC1C2 MCULE-6688461882 [0,0,0,1,1,0|2,0,0]=4 109 B14R2.399 [C@H]12CCCCC(=O)N[C@]1(CCN2)C MCULE-1189519135 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.306 NC1CCC(=O)NC1C2CCCO2 MCULE-5233703321 [0,1,0,1,0,0|1,1,0]=4 111 B14R2.397 [C@H]12CCCCC(=O)N([C@@H]1CCN2)C MCULE-7506189168 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.66 NC(=O)CCC1CCCC1 MCULE-6308384459 [0,0,0,0,2,0|2,0,0]=4 113 B10R1.127 O=C(O)CCCC1CCC1 MCULE-4719788416 [0,0,0,0,2,0|2,0,0]=4 114 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [0,0,0,0,2,0|1,0,0]=3 115 B10R1.126 O=C(O)CCNCC1CC1 MCULE-5098818326 [0,0,0,0,2,0|2,0,0]=4 116 B10R1.126 O=C(O)CCOCC1CC1 MCULE-4509324999 [0,0,0,0,2,0|2,0,0]=4 117 B10R1.126 O=C(O)CCSCC1CC1 MCULE-6245691771 [0,0,0,0,2,0|2,0,0]=4