0 B12R1.7 CCCC#CCC1CCC(=O)O1 MCULE-9827566704 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.7 CCCCCCC1OCC(O1)C MCULE-3434939793 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.7 CCCCOCC1CNC(=O)O1 MCULE-6966705652 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.4 BrCCCCCC1OCCO1 MCULE-8481039787 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.4 CCCCCCC1=CC=CO1 MCULE-6577934191 [1,0,0,0,0,0|0,0,3]=4 6 B11R1.4 CCCCCCC1OCCO1 MCULE-4454812568 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.4 CCCCCOC1CCNC1 MCULE-5489253187 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.4 CCCCCOC1CCNC1 MCULE-5575272982 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.4 CCCCOCC1CCNC1 MCULE-2104330635 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.4 CCCCOCC1CCNC1 MCULE-4194248617 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.4 COCCNCC1CCCO1 MCULE-6997277115 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.4 NCCCCCC1CCSS1 MCULE-7441188136 [1,0,0,0,0,0|2,1,0]=4 13 B11R1.4 NCCCNCC1CCCO1 MCULE-7637846270 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.4 NCCCOCC1CCCO1 MCULE-5647840349 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.4 OCCCCOC1CCCO1 MCULE-9804845572 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [1,0,0,0,0,0|0,0,2]=3 17 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [1,0,0,0,0,0|0,0,0]=1 18 B11R1.27 CCCCCC1OCC(O1)C MCULE-9583652455 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [1,0,0,0,0,0|0,0,0]=1 20 B11R1.27 O=C1CCC(O1)CCCCCl MCULE-9831879802 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.23 CCCCOC(=O)C1CCC(=O)N1 MCULE-3302648632 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.23 CCCCOC(=O)[C@@H]1CCC(=O)N1 MCULE-5701915441 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.189 CCCCCCC1=CC=C(O1)C=O MCULE-4230197970 [0,1,0,0,0,0|0,0,3]=4 26 B13R1.190 CCCCCCC1OC(=O)CC1C MCULE-7996140068 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.3688 CCCCCCC1(CCC(=O)O1)C MCULE-5079376729 [0,1,0,0,0,0|0,0,0]=1 28 B11R0.2 C=C(C)CC(C)CCCCCC MCULE-9270463569 [0,0,1,0,0,0|2,0,0]=3 29 B11R0.2 CCCCCCC(=O)CC(=O)C MCULE-1947947048 [0,0,1,0,0,0|2,0,1]=4 30 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [0,0,1,0,0,0|2,0,0]=3 31 B11R0.2 CCCCCCC(C)CC(C)C MCULE-7789928086 [0,0,1,0,0,0|2,0,1]=4 32 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [0,0,1,0,0,0|0,0,0]=1 33 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [0,0,1,0,0,0|3,0,0]=4 34 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [0,0,1,0,0,0|3,0,0]=4 35 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [0,0,1,0,0,0|3,0,0]=4 36 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-5638671142 [0,0,1,0,0,0|3,0,0]=4 37 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-6664823722 [0,0,1,0,0,0|3,0,0]=4 38 B11R0.40 C=CC(=O)OCCCCCCBr MCULE-5257957188 [0,0,1,0,0,0|1,0,2]=4 39 B11R0.40 C=CC(=O)OCCCCCCO MCULE-8684012773 [0,0,1,0,0,0|1,0,2]=4 40 B11R0.40 CCCCCCC#CC(=O)OC MCULE-7877194626 [0,0,1,0,0,0|2,0,1]=4 41 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [0,0,1,0,0,0|2,0,1]=4 42 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [0,0,1,0,0,0|2,0,1]=4 43 B11R0.40 CCCCCCCCC(=O)CC MCULE-9958837588 [0,0,1,0,0,0|1,0,0]=2 44 B11R0.40 CCCCCCCCC(=O)NN MCULE-6560373796 [0,0,1,0,0,0|3,0,0]=4 45 B11R0.40 CCCCCCCCC(=O)NO MCULE-7098688577 [0,0,1,0,0,0|3,0,0]=4 46 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [0,0,1,0,0,0|2,0,0]=3 47 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [0,0,1,0,0,0|1,0,2]=4 48 B11R0.40 CCCCCCCNC(=O)CBr MCULE-3010395952 [0,0,1,0,0,0|2,0,0]=3 49 B11R0.40 CCCCCCCOC(=O)CC MCULE-6239287032 [0,0,1,0,0,0|0,0,0]=1 50 B11R0.40 CCCCCCCOC(=O)CCl MCULE-6089837080 [0,0,1,0,0,0|1,0,0]=2 51 B11R0.40 CCCCCCCOC(=O)CS MCULE-3304894936 [0,0,1,0,0,0|1,0,0]=2 52 B11R0.40 CCCCOCCNC(=O)CCl MCULE-1053170511 [0,0,1,0,0,0|3,0,0]=4 53 B11R0.40 CCCCOCCOC(=O)CN MCULE-1848119209 [0,0,1,0,0,0|2,0,0]=3 54 B11R0.40 CCCCOCCOC(=O)CN MCULE-3516651131 [0,0,1,0,0,0|2,0,0]=3 55 B11R0.40 CCCCOCCOC(=O)NC MCULE-3584012789 [0,0,1,0,0,0|2,0,0]=3 56 B11R0.40 COC(=O)CCCCCCCBr MCULE-5537473467 [0,0,1,0,0,0|3,0,0]=4 57 B11R0.40 COC(=O)CCCCCCCCl MCULE-1981178961 [0,0,1,0,0,0|3,0,0]=4 58 B11R0.40 COC(=O)CCCCCCCN MCULE-3361449332 [0,0,1,0,0,0|3,0,0]=4 59 B11R0.40 COC(=O)CCCCCCCN MCULE-5266446188 [0,0,1,0,0,0|3,0,0]=4 60 B11R0.40 COC(=O)CCCCCCCO MCULE-4577508073 [0,0,1,0,0,0|3,0,0]=4 61 B11R0.40 COCCOCCOC(=O)CS MCULE-7102370274 [0,0,1,0,0,0|3,0,0]=4 62 B11R0.81 CCCCCCC(O)CCCC MCULE-1549907527 [0,0,1,0,0,0|1,0,1]=3 63 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [0,0,1,0,0,0|0,0,2]=3 64 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [0,0,1,0,0,0|2,0,0]=3 65 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [0,0,1,0,0,0|2,0,0]=3 66 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [0,0,1,0,0,0|2,0,0]=3 67 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [0,0,1,0,0,0|0,0,2]=3 68 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [0,0,1,0,0,0|1,0,2]=4 69 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [0,0,1,0,0,0|1,0,2]=4 70 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [0,0,1,0,0,0|2,0,0]=3 71 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [0,0,1,0,0,0|2,0,1]=4 72 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [0,0,1,0,0,0|0,0,2]=3 73 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [0,0,1,0,0,0|0,0,2]=3 74 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [0,0,1,0,0,0|0,0,2]=3 75 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [0,0,1,0,0,0|0,0,2]=3 76 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [0,0,1,0,0,0|0,0,2]=3 77 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [0,0,1,0,0,0|0,0,2]=3 78 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [0,0,1,0,0,0|0,0,2]=3 79 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [0,0,1,0,0,0|2,0,0]=3 80 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [0,0,1,0,0,0|2,0,0]=3 81 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [0,0,1,0,0,0|1,0,0]=2 82 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [0,0,1,0,0,0|1,0,0]=2 83 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [0,0,1,0,0,0|1,0,0]=2 84 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [0,0,1,0,0,0|1,0,0]=2 85 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [0,0,1,0,0,0|0,0,0]=1 86 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [0,0,1,0,0,0|0,0,0]=1 87 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [0,0,1,0,0,0|0,0,1]=2 88 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [0,0,1,0,0,0|0,0,1]=2 89 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [0,0,1,0,0,0|2,0,1]=4 90 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [0,0,1,0,0,0|2,0,1]=4 91 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [0,0,1,0,0,0|1,0,1]=3 92 B11R0.148 CCCCCCCCCC(S)S MCULE-7049062381 [0,0,1,0,0,0|0,2,1]=4 93 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [0,0,1,0,0,0|1,0,1]=3 94 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [0,0,1,0,0,0|3,0,0]=4 95 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [0,0,1,0,0,0|3,0,0]=4 96 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [0,0,1,0,0,0|2,0,0]=3 97 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [0,0,1,0,0,0|2,1,0]=4 98 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [0,0,1,0,0,0|2,0,0]=3 99 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [0,0,1,0,0,0|2,0,0]=3 100 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [0,0,1,0,0,0|1,2,0]=4 101 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [0,0,1,0,0,0|1,2,0]=4 102 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [0,0,1,0,0,0|1,0,0]=2 103 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [0,0,1,0,0,0|1,0,0]=2 104 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [0,0,1,0,0,0|1,0,0]=2 105 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [0,0,1,0,0,0|2,0,0]=3 106 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [0,0,1,0,0,0|1,0,0]=2 107 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [0,0,1,0,0,0|2,0,0]=3 108 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [0,0,1,0,0,0|3,0,0]=4 109 B11R0.148 N#N=NCCCCCCC(=O)O MCULE-5582413457 [0,0,1,0,0,0|3,0,0]=4 110 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [0,0,1,0,0,0|2,0,0]=3 111 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [0,0,1,0,0,0|1,0,0]=2 112 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [0,0,1,0,0,0|3,0,0]=4 113 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [0,0,1,0,0,0|3,0,0]=4 114 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [0,0,1,0,0,0|1,0,0]=2 115 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [0,0,1,0,0,0|1,0,0]=2 116 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [0,0,1,0,0,0|1,0,0]=2 117 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [0,0,1,0,0,0|3,0,0]=4 118 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [0,0,1,0,0,0|3,0,0]=4 119 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [0,0,1,0,0,0|3,0,0]=4 120 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [0,0,1,0,0,0|1,0,1]=3 121 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [0,0,1,0,0,0|2,0,1]=4 122 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [0,0,1,0,0,0|2,0,1]=4 123 B11R0.161 CCCCCCC(CC)CCO MCULE-9832388189 [0,0,1,0,0,0|1,0,2]=4 124 B11R0.161 CCCCCCC(CC)CNC MCULE-6886936656 [0,0,1,0,0,0|3,0,0]=4 125 B11R0.161 CCCCCCC(CC)CNC MCULE-7093604644 [0,0,1,0,0,0|3,0,0]=4 126 B13R2.10 O=C1CC(CN1)C2CCCCC2 MCULE-5365111775 [0,0,0,1,0,0|2,0,0]=3 127 B13R2.10 O=C1CC(CN1)C2CCCNC2 MCULE-7052622833 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.10 O=C1CC(CN1)C2CCNCC2 MCULE-3195911018 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.10 O=C1NC(CO1)C2CCCCC2 MCULE-5694957688 [0,0,0,1,0,0|2,0,0]=3 130 B13R2.10 O=C1NC(CO1)C2CCNCC2 MCULE-7591263219 [0,0,0,1,0,0|3,0,0]=4 131 B13R2.10 O=C1NC(CO1)C2CCNCC2 MCULE-8297199280 [0,0,0,1,0,0|3,0,0]=4 132 B13R2.10 O=C1NCC(O1)C2CCNCC2 MCULE-4728283043 [0,0,0,1,0,0|2,0,0]=3 133 B13R2.10 O=C1NCC(O1)C2CCNCC2 MCULE-7450059292 [0,0,0,1,0,0|2,0,0]=3 134 B13R2.142 O=C1NC(CO1)CC2CCCC2 MCULE-4963170434 [0,0,0,1,0,0|2,0,0]=3 135 B13R2.5023 CC1CCCCC12CC(=O)NN2 MCULE-6332429240 [0,0,0,1,0,0|3,0,0]=4 136 B13R2.13132 O=C1CC2(CCCCCC2)CN1 MCULE-1694313799 [0,0,0,1,0,0|2,0,0]=3 137 B13R2.13132 O=C1CC2(CCCCCC2)NN1 MCULE-8937724086 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.13132 O=C1CSC2(N1)CCCCCC2 MCULE-4430417895 [0,0,0,1,0,0|2,0,0]=3 139 B13R2.13132 O=C1NCC2(O1)CCCNCC2 MCULE-6116897292 [0,0,0,1,0,0|2,0,0]=3 140 B13R2.13132 S=C1CC2(CCCCCC2)CN1 MCULE-1450297417 [0,0,0,1,0,0|2,1,0]=4 141 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,0,0,0,0,1|0,0,0]=1 142 B13R1.6 CCCCCCC1OCCC(O1)C MCULE-4340463593 [0,0,0,0,0,1|1,0,1]=3 143 B13R1.6 N#CCCCCC1CCCC(=O)C1 MCULE-6540271443 [0,0,0,0,0,1|2,0,1]=4 144 B13R1.9 CCCCCCC1CCC(=O)CC1 MCULE-8215721805 [0,0,0,0,0,1|1,0,0]=2 145 B13R1.9 CCCCCCN1CCC(=O)CC1 MCULE-9197520812 [0,0,0,0,0,1|2,0,0]=3 146 B10R0.1 C=CCC(C)CCCCCC MCULE-9669056285 [1,0,1,0,0,0|1,0,1]=4 147 B10R0.1 CCCCCCC(C)CCBr MCULE-3565681476 [1,0,1,0,0,0|2,0,0]=4 148 B10R0.1 CCCCCCC(C)CCC MCULE-7297649998 [1,0,1,0,0,0|1,0,1]=4 149 B10R0.1 CCCCCCC(C)CCO MCULE-7361079557 [1,0,1,0,0,0|1,0,1]=4 150 B10R0.1 CCCCCCC(C)N=C=O MCULE-5942468953 [1,0,1,0,0,0|1,0,1]=4 151 B10R0.1 CCCCCCC(Cl)CCC MCULE-2067978007 [1,0,1,0,0,0|1,0,1]=4 152 B10R0.1 CCCCCCC(O)CCC MCULE-2307566607 [1,0,1,0,0,0|0,0,1]=3 153 B10R0.1 CCCCCCC(O)CCO MCULE-4512993407 [1,0,1,0,0,0|0,0,1]=3 154 B10R0.1 CCCCCC[C@H](C)CCC MCULE-5233422494 [1,0,1,0,0,0|1,0,1]=4 155 B10R0.1 CCCCCC[C@H](O)CCC MCULE-3592520258 [1,0,1,0,0,0|0,0,1]=3 156 B10R0.1 CCCCCC[C@H](O)CCC MCULE-8969624714 [1,0,1,0,0,0|0,0,1]=3 157 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [1,0,1,0,0,0|0,0,2]=4 158 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,0,1,0,0,0|0,0,2]=4 159 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,0,1,0,0,0|2,0,0]=4 160 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,0,1,0,0,0|2,0,0]=4 161 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,0,1,0,0,0|2,0,0]=4 162 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,0,1,0,0,0|0,0,2]=4 163 B10R0.4 C=CCCCCCOC(=O)C MCULE-7198359038 [1,0,1,0,0,0|0,0,2]=4 164 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,1,0,0,0|2,0,0]=4 165 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [1,0,1,0,0,0|2,0,0]=4 166 B10R0.4 CC(=O)OCCCCCCBr MCULE-9658847674 [1,0,1,0,0,0|1,0,0]=3 167 B10R0.4 CC(=O)OCCCCCCCl MCULE-2777138332 [1,0,1,0,0,0|1,0,0]=3 168 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [1,0,1,0,0,0|1,1,0]=4 169 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [1,0,1,0,0,0|1,1,0]=4 170 B10R0.4 CCCC/C=C/COC(=O)C MCULE-5121036018 [1,0,1,0,0,0|0,0,2]=4 171 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,0,1,0,0,0|0,0,2]=4 172 B10R0.4 CCCCC=CCOC(=O)C MCULE-9678532361 [1,0,1,0,0,0|0,0,2]=4 173 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,0,1,0,0,0|0,0,2]=4 174 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,0,1,0,0,0|0,0,2]=4 175 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,0,1,0,0,0|1,0,1]=4 176 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [1,0,1,0,0,0|1,0,1]=4 177 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [1,0,1,0,0,0|2,0,0]=4 178 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,1,0,0,0|1,0,0]=3 179 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,1,0,0,0|1,0,0]=3 180 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,1,0,0,0|1,0,0]=3 181 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,1,0,0,0|0,0,0]=2 182 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,1,0,0,0|0,0,1]=3 183 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,0,1,0,0,0|1,0,1]=4 184 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [1,0,1,0,0,0|1,0,1]=4 185 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,0,1,0,0,0|1,0,1]=4 186 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,0,1,0,0,0|1,0,1]=4 187 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,0,1,0,0,0|1,0,0]=3 188 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,0,1,0,0,0|0,0,0]=2 189 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,0,1,0,0,0|1,0,0]=3 190 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-1608327732 [1,0,1,0,0,0|1,1,0]=4 191 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-7650100616 [1,0,1,0,0,0|1,1,0]=4 192 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,0,1,0,0,0|1,0,0]=3 193 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,0,1,0,0,0|1,0,0]=3 194 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,0,1,0,0,0|1,0,0]=3 195 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [1,0,1,0,0,0|1,0,0]=3 196 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,0,1,0,0,0|1,0,0]=3 197 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,1,0,0,0|1,0,0]=3 198 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [1,0,1,0,0,0|2,0,0]=4 199 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,0,1,0,0,0|2,0,0]=4 200 B10R0.4 COCCOCCOC(=O)C MCULE-6392138253 [1,0,1,0,0,0|2,0,0]=4 201 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,1,0,0,0|1,0,0]=3 202 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [1,0,1,0,0,0|2,0,0]=4 203 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,1,0,0,0|1,0,0]=3 204 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,1,0,0,0|1,0,0]=3 205 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,0,1,0,0,0|2,0,0]=4 206 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [1,0,1,0,0,0|2,0,0]=4 207 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [1,0,1,0,0,0|2,0,0]=4 208 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [1,0,1,0,0,0|2,0,0]=4 209 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,1,0,0,0|1,0,0]=3 210 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,1,0,0,0|1,0,0]=3 211 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,1,0,0,0|1,0,0]=3 212 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,0,1,0,0,0|1,0,1]=4 213 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,0,1,0,0,0|1,0,1]=4 214 B10R0.6 C=C(C)CC(C)CCCCC MCULE-9311251673 [1,0,1,0,0,0|2,0,0]=4 215 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [1,0,1,0,0,0|1,0,0]=3 216 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [1,0,1,0,0,0|2,0,0]=4 217 B10R0.6 CCCCCC(C)OC(=O)Cl MCULE-6347220296 [1,0,1,0,0,0|1,0,0]=3 218 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [1,0,1,0,0,0|1,0,1]=4 219 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,0,1,0,0,0|0,0,2]=4 220 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [1,0,1,0,0,0|2,0,0]=4 221 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,1,0,0,0|1,0,0]=3 222 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [1,0,1,0,0,0|2,0,0]=4 223 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [1,0,1,0,0,0|2,0,0]=4 224 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [1,0,1,0,0,0|2,0,0]=4 225 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [1,0,1,0,0,0|2,0,0]=4 226 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [1,0,1,0,0,0|2,0,0]=4 227 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,0,1,0,0,0|2,0,0]=4 228 B10R0.71 CCC#CCCCCCCC MCULE-4172735383 [1,0,1,0,0,0|1,0,1]=4 229 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,0,1,0,0,0|0,0,2]=4 230 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,0,1,0,0,0|0,0,2]=4 231 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,0,1,0,0,0|0,0,2]=4 232 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,0,1,0,0,0|0,0,2]=4 233 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,0,1,0,0,0|2,0,0]=4 234 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [1,0,1,0,0,0|0,0,2]=4 235 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [1,0,1,0,0,0|1,0,1]=4 236 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,1,0,0,0|0,0,0]=2 237 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [1,0,1,0,0,0|1,0,1]=4 238 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,0,1,0,0,0|1,0,1]=4 239 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [1,0,1,0,0,0|1,0,1]=4 240 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [1,0,1,0,0,0|1,0,1]=4 241 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [1,0,1,0,0,0|1,0,1]=4 242 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [1,0,1,0,0,0|1,0,1]=4 243 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,1,0,0,0|0,0,1]=3 244 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [1,0,1,0,0,0|0,1,1]=4 245 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,0,1,0,0,0|2,0,0]=4 246 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,0,1,0,0,0|2,0,0]=4 247 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,1,0,0,0|2,0,0]=4 248 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,0,1,0,0,0|2,0,0]=4 249 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,0,1,0,0,0|2,0,0]=4 250 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [1,0,1,0,0,0|1,0,1]=4 251 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,1,0,0,0|1,0,0]=3 252 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,1,0,0,0|1,0,0]=3 253 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [1,0,1,0,0,0|2,0,0]=4 254 B10R0.71 CCCCCCCNOCC MCULE-6718978813 [1,0,1,0,0,0|2,0,0]=4 255 B10R0.71 CCCCCCCNOCC MCULE-7446092946 [1,0,1,0,0,0|2,0,0]=4 256 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [1,0,1,0,0,0|1,0,1]=4 257 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [1,0,1,0,0,0|1,0,1]=4 258 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [1,0,1,0,0,0|1,0,1]=4 259 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [1,0,1,0,0,0|1,0,1]=4 260 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,0,1,0,0,0|1,0,1]=4 261 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [1,0,1,0,0,0|1,0,1]=4 262 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,1,0,0,0|1,0,0]=3 263 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [1,0,1,0,0,0|1,0,1]=4 264 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [1,0,1,0,0,0|1,0,1]=4 265 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [1,0,1,0,0,0|1,0,1]=4 266 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [1,0,1,0,0,0|1,0,1]=4 267 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [1,0,1,0,0,0|1,0,1]=4 268 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [1,0,1,0,0,0|0,0,2]=4 269 B10R0.74 CC/C=C\CCOC(=O)CC MCULE-2625707486 [1,0,1,0,0,0|0,0,2]=4 270 B10R0.74 CCC/C=C/COC(=O)CC MCULE-3426297748 [1,0,1,0,0,0|0,0,2]=4 271 B10R0.74 CCC=CCCOC(=O)CC MCULE-1285182737 [1,0,1,0,0,0|0,0,2]=4 272 B10R0.74 CCCC=CCOC(=O)CC MCULE-1078471467 [1,0,1,0,0,0|0,0,2]=4 273 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [1,0,1,0,0,0|0,0,0]=2 274 B10R0.74 CCCCCCCC(=O)NN MCULE-6629350924 [1,0,1,0,0,0|2,0,0]=4 275 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [1,0,1,0,0,0|2,0,0]=4 276 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-1745709791 [1,0,1,0,0,0|2,0,0]=4 277 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-4610313780 [1,0,1,0,0,0|2,0,0]=4 278 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [1,0,1,0,0,0|1,0,0]=3 279 B10R0.74 CCCCCCCC(N)CC MCULE-5023964032 [1,0,1,0,0,0|1,0,1]=4 280 B10R0.74 CCCCCCCC(O)CC MCULE-5420300699 [1,0,1,0,0,0|0,0,2]=4 281 B10R0.74 CCCCCCC[C@@H](C)CC MCULE-8718967535 [1,0,1,0,0,0|1,0,1]=4 282 B10R0.74 CCCCCCNC(=O)CCl MCULE-9418401258 [1,0,1,0,0,0|2,0,0]=4 283 B10R0.74 CCCCCCOC(=O)CC MCULE-7750085667 [1,0,1,0,0,0|0,0,0]=2 284 B10R0.74 CCCCCCOC(=O)CCl MCULE-7320709801 [1,0,1,0,0,0|1,0,0]=3 285 B10R0.74 CCCCCCOC(=O)CN MCULE-5357348178 [1,0,1,0,0,0|1,0,0]=3 286 B10R0.74 CCCCCCOC(=O)CS MCULE-4845823799 [1,0,1,0,0,0|1,0,0]=3 287 B10R0.74 CCCCCCOC(=O)C[NH3+] MCULE-4114261473 [1,0,1,0,0,0|1,0,0]=3 288 B10R0.74 COC(=O)CCCCCCBr MCULE-5801566678 [1,0,1,0,0,0|2,0,0]=4 289 B10R0.74 COC(=O)CCCCCCI MCULE-5629338002 [1,0,1,0,0,0|2,0,0]=4 290 B10R0.74 COC(=O)CCCCCCN MCULE-3174162228 [1,0,1,0,0,0|2,0,0]=4 291 B10R0.74 COC(=O)CCCCCCN MCULE-7552954472 [1,0,1,0,0,0|2,0,0]=4 292 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [1,0,1,0,0,0|2,0,0]=4 293 B10R0.91 C#CCCC(O)CCCCC MCULE-4675172890 [1,0,1,0,0,0|1,0,1]=4 294 B10R0.91 C=CCCC(C)CCCCC MCULE-1706757342 [1,0,1,0,0,0|2,0,0]=4 295 B10R0.91 CCCCCC(C)CCC=O MCULE-9659356194 [1,0,1,0,0,0|1,0,0]=3 296 B10R0.91 CCCCCC(O)/C=C/C=O MCULE-7787544395 [1,0,1,0,0,0|0,0,2]=4 297 B10R0.91 CCCCCC(O)C=CC=O MCULE-4013578316 [1,0,1,0,0,0|0,0,2]=4 298 B10R0.91 CCCCCC(O)CCCC MCULE-4028571026 [1,0,1,0,0,0|1,0,1]=4 299 B10R0.91 CCCCC[C@H](O)CCCC MCULE-3767339379 [1,0,1,0,0,0|1,0,1]=4 300 B10R0.91 CCCCC[C@H](O)CCCC MCULE-8364286143 [1,0,1,0,0,0|1,0,1]=4 301 B10R0.24 C=CCC(CC)CCCCC MCULE-3685970860 [1,0,1,0,0,0|2,0,0]=4 302 B10R0.41 CCCCCCC(CC)CO MCULE-4162010879 [1,0,1,0,0,0|0,0,2]=4 303 B10R0.41 CCCCCCC(OC)OC MCULE-3152834505 [1,0,1,0,0,0|1,0,1]=4 304 B10R1.21 CCCCCC1CCCC1 MCULE-2927062716 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.21 CCCCCC1OCCO1 MCULE-1814222548 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.21 CCCNCC1CCCO1 MCULE-4700464282 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.21 CNCCCC1CCCO1 MCULE-6662766860 [2,0,0,0,0,0|1,0,1]=4 308 B10R1.21 NCCCCC1CCCO1 MCULE-5459645657 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.21 NCCCCC1CCCO1 MCULE-7012525648 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.21 OCCCCC1CCCO1 MCULE-4507968926 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [2,0,0,0,0,0|0,0,0]=2 312 B10R1.16 CCCCC1CNC(=O)C1 MCULE-7940886893 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.16 CCCCC1COC(=O)N1 MCULE-7413985675 [2,0,0,0,0,0|2,0,0]=4 314 B12R0.4 C=C(C)CC(C)CCCCCCC MCULE-8010438575 [0,1,1,0,0,0|2,0,0]=4 315 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [0,1,1,0,0,0|2,0,0]=4 316 B12R0.4 CCCCCCCC(C)OC(=O)C MCULE-5744025046 [0,1,1,0,0,0|0,0,0]=2 317 B12R0.113 C=CC(=O)OC(C)CCCCCC MCULE-1718387963 [0,1,1,0,0,0|0,0,1]=3 318 B12R0.113 CCCCCCC(C)NC(=O)CCl MCULE-4835194894 [0,1,1,0,0,0|1,0,0]=3 319 B12R0.113 CCCCCCC(C)OC(=O)CCl MCULE-3342954243 [0,1,1,0,0,0|0,0,0]=2 320 B12R0.113 CCCCCCC(O)CC(=O)OC MCULE-8995113646 [0,1,1,0,0,0|2,0,0]=4 321 B12R0.113 CCCCCNC(C)CC(=O)OC MCULE-2558037544 [0,1,1,0,0,0|2,0,0]=4 322 B12R0.202 CCCCCCC(CC)CC(=O)O MCULE-4987267160 [0,1,1,0,0,0|2,0,0]=4 323 B12R0.202 CCCCCCC(CC)OC(=O)C MCULE-1412061215 [0,1,1,0,0,0|0,0,0]=2 324 B12R0.272 CCCC(C)CCC(C)CC(=O)O MCULE-2907102374 [0,1,1,0,0,0|2,0,0]=4 325 B12R0.272 COCC(C)OCC(C)OC(=O)C MCULE-8685596097 [0,1,1,0,0,0|2,0,0]=4 326 B12R0.1 CCCCCCC#CC(=O)OCC MCULE-9938881189 [0,1,1,0,0,0|1,0,1]=4 327 B12R0.1 CCCCCCC=CC(=O)OCC MCULE-4260025223 [0,1,1,0,0,0|1,0,1]=4 328 B12R0.1 CCCCCCCCC(=O)NCO MCULE-9330858839 [0,1,1,0,0,0|2,0,0]=4 329 B12R0.1 CCCCCCCCC(=O)OCC MCULE-5309868306 [0,1,1,0,0,0|1,0,0]=3 330 B12R0.1 CCCCCCCCC(=O)OCCl MCULE-7482672748 [0,1,1,0,0,0|2,0,0]=4 331 B12R0.1 CCCCCCCCS(=O)CCCl MCULE-5342861128 [0,1,1,0,0,0|2,0,0]=4 332 B12R0.1 CCCCCCCCS(=O)CCO MCULE-7963242650 [0,1,1,0,0,0|2,0,0]=4 333 B12R0.1 CCCCCCCNC(=O)CC#N MCULE-2223444329 [0,1,1,0,0,0|1,0,1]=4 334 B12R0.1 CCCCCCCOC(=O)CCC MCULE-5390225657 [0,1,1,0,0,0|0,0,0]=2 335 B12R0.1 CCCCCNCCC(=O)OCC MCULE-6006388312 [0,1,1,0,0,0|2,0,0]=4 336 B12R0.1 CCCCOCCOC(=O)CCC MCULE-5623408620 [0,1,1,0,0,0|1,0,0]=3 337 B12R0.1 CCOC(=O)CCCCCCCBr MCULE-8678920768 [0,1,1,0,0,0|2,0,0]=4 338 B12R0.1 CCOC(=O)CCCCCCCCl MCULE-8377860069 [0,1,1,0,0,0|2,0,0]=4 339 B12R0.1 CCOC(=O)CCCCCCCI MCULE-5677306490 [0,1,1,0,0,0|2,0,0]=4 340 B12R0.1 CCOC(=O)CCCCCCCN MCULE-2162819446 [0,1,1,0,0,0|2,0,0]=4 341 B12R0.1 CCOC(=O)CCCCCCCN MCULE-4046698936 [0,1,1,0,0,0|2,0,0]=4 342 B12R0.1 CCOC(=O)CCCCCCCO MCULE-3311157136 [0,1,1,0,0,0|2,0,0]=4 343 B12R0.102 C=CC(=O)OCCC(C)CCCC MCULE-4430853878 [0,1,1,0,0,0|0,0,2]=4 344 B12R0.102 C=CC(=O)OCCC(C)CCCC MCULE-9499965302 [0,1,1,0,0,0|0,0,2]=4 345 B12R0.142 CCCCCC(O)CCC(=O)NC MCULE-6293429988 [0,1,1,0,0,0|2,0,0]=4 346 B12R0.184 C=CC(=O)OCCCCCC(C)C MCULE-8483303249 [0,1,1,0,0,0|0,0,2]=4 347 B12R0.184 CC(C)CCCCCOC(=O)CS MCULE-1124478219 [0,1,1,0,0,0|1,0,0]=3 348 B12R0.184 COC(=O)CCCCCCC(C)C MCULE-3897074156 [0,1,1,0,0,0|2,0,0]=4 349 B12R0.248 C=CC(=O)OCCCCCCCC MCULE-8708207271 [0,1,1,0,0,0|0,0,2]=4 350 B12R0.248 CCCCCCCCCC(=O)CC MCULE-8070056231 [0,1,1,0,0,0|1,0,0]=3 351 B12R0.248 CCCCCCCCCC(=O)NC MCULE-5903490737 [0,1,1,0,0,0|2,0,0]=4 352 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [0,1,1,0,0,0|2,0,0]=4 353 B12R0.248 CCCCCCCCNC(=O)CCl MCULE-4427362960 [0,1,1,0,0,0|2,0,0]=4 354 B12R0.248 CCCCCCCCOC(=O)CBr MCULE-6221987137 [0,1,1,0,0,0|1,0,0]=3 355 B12R0.248 CCCCCCCCOC(=O)CC MCULE-3871560069 [0,1,1,0,0,0|0,0,0]=2 356 B12R0.248 CCCCCCCCOC(=O)CCl MCULE-4822709810 [0,1,1,0,0,0|1,0,0]=3 357 B12R0.248 CCCCCCCCOC(=O)CN MCULE-1232197423 [0,1,1,0,0,0|1,0,0]=3 358 B12R0.248 CCCCCCCCOC(=O)CN MCULE-3856902884 [0,1,1,0,0,0|1,0,0]=3 359 B12R0.248 CCCCCCCCOC(=O)CS MCULE-8976044992 [0,1,1,0,0,0|1,0,0]=3 360 B12R0.248 CCCCCCCSCC(=O)OC MCULE-8419218207 [0,1,1,0,0,0|1,1,0]=4 361 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [0,1,1,0,0,0|2,0,0]=4 362 B12R0.248 COC(=O)CCCCCCCCBr MCULE-8360143365 [0,1,1,0,0,0|2,0,0]=4 363 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [0,1,1,0,0,0|2,0,0]=4 364 B12R0.251 C=C(C)C(=O)OCCCCCCBr MCULE-9043175752 [0,1,1,0,0,0|1,0,1]=4 365 B12R0.251 C=C(C)C(=O)OCCCCCCCl MCULE-7606380391 [0,1,1,0,0,0|1,0,1]=4 366 B12R0.47 C=CCOCC(O)CSCCCC MCULE-3081176081 [0,1,1,0,0,0|2,0,0]=4 367 B12R0.47 CCCCCCC(O)CCCCC MCULE-9826172328 [0,1,1,0,0,0|1,0,1]=4 368 B12R0.111 CCCCCCC(CO)CCCC MCULE-4486658642 [0,1,1,0,0,0|1,0,1]=4 369 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [0,1,1,0,0,0|1,0,1]=4 370 B12R0.255 CCCCCCC(=O)CCC(=O)O MCULE-1506437124 [0,1,1,0,0,0|0,0,2]=4 371 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [0,1,1,0,0,0|0,0,0]=2 372 B12R0.255 CCCCCCC(O)CCC(=O)[O-] MCULE-4395510611 [0,1,1,0,0,0|0,0,0]=2 373 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-1159145242 [0,1,1,0,0,0|1,0,1]=4 374 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-6759587023 [0,1,1,0,0,0|1,0,1]=4 375 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [0,1,1,0,0,0|1,0,0]=3 376 B12R0.119 CCCCCCCCCS(=O)(=O)Cl MCULE-8052966186 [0,1,1,0,0,0|1,0,1]=4 377 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-1927567552 [0,1,1,0,0,0|1,0,1]=4 378 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-3281419364 [0,1,1,0,0,0|1,0,1]=4 379 B12R0.119 CCCCCCCCOP(=O)(O)O MCULE-5203489281 [0,1,1,0,0,0|2,0,0]=4 380 B12R0.233 CCCCCC(=O)CCCC(=O)O MCULE-7183792222 [0,1,1,0,0,0|0,0,1]=3 381 B12R0.233 CCCCCC(=O)NCCC(=O)O MCULE-7265291580 [0,1,1,0,0,0|1,0,1]=4 382 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [0,1,1,0,0,0|0,0,0]=2 383 B12R0.233 CCCCCC(O)CCCC(=O)[O-] MCULE-7035156488 [0,1,1,0,0,0|0,0,1]=3 384 B12R0.233 CCCCNC(=O)CCCC(=O)O MCULE-9110065966 [0,1,1,0,0,0|1,0,1]=4 385 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [0,1,1,0,0,0|1,0,1]=4 386 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,1,1,0,0,0|0,0,1]=3 387 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [0,1,1,0,0,0|2,0,0]=4 388 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [0,1,1,0,0,0|2,0,0]=4 389 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [0,1,1,0,0,0|2,0,0]=4 390 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [0,1,1,0,0,0|1,0,1]=4 391 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [0,1,1,0,0,0|1,0,1]=4 392 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [0,1,1,0,0,0|1,0,1]=4 393 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,1,1,0,0,0|0,0,1]=3 394 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [0,1,1,0,0,0|0,0,2]=4 395 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [0,1,1,0,0,0|0,0,2]=4 396 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [0,1,1,0,0,0|0,0,1]=3 397 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [0,1,1,0,0,0|2,0,0]=4 398 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [0,1,1,0,0,0|1,0,1]=4 399 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [0,1,1,0,0,0|0,0,1]=3 400 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [0,1,1,0,0,0|0,0,1]=3 401 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [0,1,1,0,0,0|1,0,1]=4 402 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,1,1,0,0,0|1,0,0]=3 403 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,1,1,0,0,0|1,0,0]=3 404 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,1,0,0,0|1,0,0]=3 405 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,1,1,0,0,0|0,0,0]=2 406 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [0,1,1,0,0,0|1,0,1]=4 407 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [0,1,1,0,0,0|1,0,1]=4 408 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [0,1,1,0,0,0|2,0,0]=4 409 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,1,1,0,0,0|1,0,0]=3 410 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,1,1,0,0,0|1,0,0]=3 411 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [0,1,1,0,0,0|0,2,0]=4 412 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [0,1,1,0,0,0|0,2,0]=4 413 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [0,1,1,0,0,0|2,0,0]=4 414 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [0,1,1,0,0,0|2,0,0]=4 415 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [0,1,1,0,0,0|1,0,1]=4 416 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,1,1,0,0,0|0,0,0]=2 417 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [0,1,1,0,0,0|1,0,1]=4 418 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,1,1,0,0,0|1,0,0]=3 419 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,1,1,0,0,0|0,0,0]=2 420 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,1,1,0,0,0|0,0,0]=2 421 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,1,1,0,0,0|0,0,0]=2 422 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,1,1,0,0,0|1,0,0]=3 423 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,1,1,0,0,0|0,0,0]=2 424 B12R0.234 CNCCOCCOCCC(=O)O MCULE-5859151176 [0,1,1,0,0,0|2,0,0]=4 425 B12R0.234 COCCOCCOCCC(=O)O MCULE-3073877899 [0,1,1,0,0,0|2,0,0]=4 426 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,1,1,0,0,0|0,0,1]=3 427 B12R0.234 N#N=NCCCCCCCC(=O)O MCULE-5693417997 [0,1,1,0,0,0|2,0,0]=4 428 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,1,1,0,0,0|0,0,0]=2 429 B12R0.234 NCCOCCOCCCC(=O)O MCULE-2525701431 [0,1,1,0,0,0|2,0,0]=4 430 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [0,1,1,0,0,0|0,0,2]=4 431 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [0,1,1,0,0,0|0,0,2]=4 432 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,1,1,0,0,0|0,0,0]=2 433 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,1,1,0,0,0|0,0,0]=2 434 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,1,1,0,0,0|0,0,0]=2 435 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [0,1,1,0,0,0|1,0,1]=4 436 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [0,1,1,0,0,0|1,0,1]=4 437 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,1,1,0,0,0|0,0,1]=3 438 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [0,1,1,0,0,0|0,0,0]=2 439 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [0,1,1,0,0,0|1,0,0]=3 440 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [0,1,1,0,0,0|0,0,0]=2 441 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,1,1,0,0,0|1,0,1]=4 442 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [0,1,1,0,0,0|1,0,1]=4 443 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [0,1,1,0,0,0|0,0,1]=3 444 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [0,1,1,0,0,0|0,0,0]=2 445 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [0,1,1,0,0,0|0,0,0]=2 446 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [0,1,1,0,0,0|1,0,1]=4 447 B12R0.205 CCCCCCC(OCC)OCC MCULE-2932745465 [0,1,1,0,0,0|1,0,1]=4 448 B12R1.37 CCCCCCCC1OCCO1 MCULE-9440265689 [1,1,0,0,0,0|1,0,1]=4 449 B12R1.37 CCCCCCNC1CCCC1 MCULE-1957642519 [1,1,0,0,0,0|1,0,1]=4 450 B12R1.37 CCCCCOCC1CCNC1 MCULE-8088160320 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.37 CCCCCOCC1CCNC1 MCULE-9632689543 [1,1,0,0,0,0|2,0,0]=4 452 B12R1.37 CNCCCNCC1CCCO1 MCULE-3787587012 [1,1,0,0,0,0|1,0,1]=4 453 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [1,1,0,0,0,0|1,0,1]=4 454 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [1,1,0,0,0,0|2,0,0]=4 455 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,1,0,0,0,1|0,0,0]=2 456 B14R1.26 CCCCCCCC1OCCC(O1)C MCULE-5031898477 [0,1,0,0,0,1|1,0,1]=4 457 B14R1.26 N#CCCCCCC1CCCC(=O)C1 MCULE-8205747806 [0,1,0,0,0,1|1,0,1]=4 458 B14R1.443 CCCCCCC1CC(=O)OC(=O)C1 MCULE-6242945570 [0,1,0,0,0,1|1,0,1]=4 459 B14R1.14 CCCCCCCC1CCC(=O)CC1 MCULE-6035418907 [0,1,0,0,0,1|1,0,0]=3 460 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,2,0,0,0,0|0,0,2]=4 461 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,2,0,0,0,0|0,0,0]=2 462 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,2,0,0,0,0|0,0,0]=2 463 B14R1.128 CC(C)CCCCCC1C=CC(=O)O1 MCULE-7180372148 [0,2,0,0,0,0|0,0,2]=4 464 B14R1.3453 CCCCCCOC1CCS(=O)(=O)C1 MCULE-9137999615 [0,2,0,0,0,0|2,0,0]=4 465 B14R1.129 CC(O)CCC(O)CC1CCC(=O)O1 MCULE-8445888741 [0,2,0,0,0,0|0,0,0]=2 466 B12R1.107 CC(=O)NC(C)C1CCNCC1 MCULE-7787784421 [0,0,1,1,0,0|2,0,0]=4 467 B12R1.107 CC(CC(=O)O)C1CCCCC1 MCULE-5146752612 [0,0,1,1,0,0|2,0,0]=4 468 B12R1.141 O=C1CCCCCCCC(=O)O1 MCULE-2456565439 [0,0,1,1,0,0|1,0,1]=4 469 B12R1.260 CC(=O)CC(C)SC1CCCC1 MCULE-4159500347 [0,0,1,1,0,0|2,0,0]=4 470 B12R1.1392 C=C(C)CC1CCCCCCC1 MCULE-8129802280 [0,0,1,1,0,0|2,0,0]=4 471 B12R1.1392 CC(=O)OC1CCCCCCC1 MCULE-6350829843 [0,0,1,1,0,0|0,0,0]=2 472 B12R1.1392 NC(=O)NC1CCCCCCC1 MCULE-8088379075 [0,0,1,1,0,0|2,0,0]=4 473 B12R1.1409 C=CCCCC1CC1OC(=O)C MCULE-8876149200 [0,0,1,1,0,0|0,0,2]=4 474 B12R1.1 CCCCCC1CC=C(CC1)Br MCULE-9220672225 [0,0,1,1,0,0|2,0,0]=4 475 B12R1.1 CCCCCC1CCC(=O)CC1 MCULE-1865638063 [0,0,1,1,0,0|1,0,0]=3 476 B12R1.27 CCC(=O)NCC1CCCNC1 MCULE-5633343157 [0,0,1,1,0,0|2,0,0]=4 477 B12R1.27 CCC(=O)NCC1CCCNC1 MCULE-6467786994 [0,0,1,1,0,0|2,0,0]=4 478 B12R1.27 CCC(=O)NCC1CCNCC1 MCULE-3780855037 [0,0,1,1,0,0|2,0,0]=4 479 B12R1.27 CCC(=O)OCC1CCCNC1 MCULE-2489657295 [0,0,1,1,0,0|1,0,0]=3 480 B12R1.27 CCC(=O)OCC1CCCNC1 MCULE-8408389472 [0,0,1,1,0,0|1,0,0]=3 481 B12R1.27 CCC(=O)OCC1CCNCC1 MCULE-5222904628 [0,0,1,1,0,0|1,0,0]=3 482 B12R1.27 CCC(=O)OCC1CCNCC1 MCULE-5616950169 [0,0,1,1,0,0|1,0,0]=3 483 B12R1.27 CNC(=O)CCC1CCCCC1 MCULE-4673526571 [0,0,1,1,0,0|2,0,0]=4 484 B12R1.27 CNC(=O)OCC1CCCCN1 MCULE-8493898337 [0,0,1,1,0,0|2,0,0]=4 485 B12R1.27 CNC(=O)OCC1CCCCN1 MCULE-9322640567 [0,0,1,1,0,0|2,0,0]=4 486 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [0,0,1,1,0,0|2,0,0]=4 487 B12R1.27 O=C(CBr)NCC1CCCCC1 MCULE-2764680318 [0,0,1,1,0,0|2,0,0]=4 488 B12R1.27 O=C(CCl)NCC1CCCCC1 MCULE-9819057027 [0,0,1,1,0,0|2,0,0]=4 489 B12R1.27 O=C(CCl)OCC1CCCNC1 MCULE-6743384126 [0,0,1,1,0,0|2,0,0]=4 490 B12R1.27 O=C(CCl)OCC1CCCNC1 MCULE-9269183536 [0,0,1,1,0,0|2,0,0]=4 491 B12R1.27 O=C(CCl)OCC1CCNCC1 MCULE-8846357134 [0,0,1,1,0,0|2,0,0]=4 492 B12R1.27 O=C(CCl)OCC1CCNCC1 MCULE-9611865944 [0,0,1,1,0,0|2,0,0]=4 493 B12R1.27 O=C(CO)NCC1CCCCC1 MCULE-7174776825 [0,0,1,1,0,0|2,0,0]=4 494 B12R1.77 CCC1CCCCN1C(=O)CCl MCULE-4069585041 [0,0,1,1,0,0|2,0,0]=4 495 B12R1.77 CCC1CCCCN1C(=O)CN MCULE-1194274038 [0,0,1,1,0,0|2,0,0]=4 496 B12R1.77 CCC1CCCCN1C(=O)CN MCULE-9480609009 [0,0,1,1,0,0|2,0,0]=4 497 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [0,0,1,1,0,0|2,0,0]=4 498 B12R1.371 CC1CCCCC1NC(=O)CCl MCULE-8520758651 [0,0,1,1,0,0|2,0,0]=4 499 B12R1.371 CCC(=O)NC1CCCCC1Cl MCULE-9272014032 [0,0,1,1,0,0|2,0,0]=4 500 B12R1.1659 COC(=O)C1CCCCCCC1 MCULE-8407585180 [0,0,1,1,0,0|2,0,0]=4 501 B12R1.1659 O=C(CCl)N1CCCCCCC1 MCULE-9778356861 [0,0,1,1,0,0|2,0,0]=4 502 B12R1.1748 COC(=O)CC1CCCCCC1 MCULE-5471448909 [0,0,1,1,0,0|2,0,0]=4 503 B12R1.1748 O=C(CCl)NC1CCCCCC1 MCULE-9132892908 [0,0,1,1,0,0|2,0,0]=4 504 B12R1.30 CCCCC(O)C1CCCCC1 MCULE-9771991264 [0,0,1,1,0,0|1,0,1]=4 505 B12R1.1410 CCCCCC1OC1C=CC=O MCULE-4436934736 [0,0,1,1,0,0|0,0,2]=4 506 B12R1.1410 CCCCC[C@H]1O[C@@H]1C=CC=O MCULE-6093862797 [0,0,1,1,0,0|0,0,2]=4 507 B12R1.1785 CCCCC1(CCCCCC1)O MCULE-2884909991 [0,0,1,1,0,0|1,0,1]=4 508 B12R1.28 CC/C=C\CC1CCCC(=O)O1 MCULE-3393454158 [0,0,1,1,0,0|0,0,2]=4 509 B12R1.28 CCC=CCC1CCCC(=O)O1 MCULE-9639028527 [0,0,1,1,0,0|0,0,2]=4 510 B12R1.28 CCCCCC1CC=CC(=O)O1 MCULE-9666662342 [0,0,1,1,0,0|0,0,2]=4 511 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [0,0,1,1,0,0|0,0,0]=2 512 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 MCULE-1286702458 [0,0,1,1,0,0|0,0,2]=4 513 B12R1.28 CCCCC[C@H]1CC=CC(=O)O1 MCULE-7838361683 [0,0,1,1,0,0|0,0,2]=4 514 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [0,0,1,1,0,0|1,0,0]=3 515 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [0,0,1,1,0,0|1,0,0]=3 516 B12R1.75 COC1COCCC1CC(=O)O MCULE-1148352268 [0,0,1,1,0,0|2,0,0]=4 517 B12R1.75 O=C(O)CN1CCCCC1CBr MCULE-4745302069 [0,0,1,1,0,0|2,0,0]=4 518 B12R1.75 O=C(O)CN1CCCCC1CCl MCULE-1771575283 [0,0,1,1,0,0|2,0,0]=4 519 B12R1.75 O=C(O)CN1CCCCC1CI MCULE-1312726912 [0,0,1,1,0,0|2,0,0]=4 520 B12R1.75 O=C(O)CN1CCCCC1CO MCULE-9904924658 [0,0,1,1,0,0|2,0,0]=4 521 B12R1.81 COC1CCCC1NCC(=O)O MCULE-2262288610 [0,0,1,1,0,0|2,0,0]=4 522 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [0,0,1,1,0,0|1,0,0]=3 523 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [0,0,1,1,0,0|1,0,0]=3 524 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [0,0,1,1,0,0|1,0,0]=3 525 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [0,0,1,1,0,0|1,0,0]=3 526 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [0,0,1,1,0,0|1,0,0]=3 527 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [0,0,1,1,0,0|1,0,0]=3 528 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [0,0,1,1,0,0|1,0,0]=3 529 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [0,0,1,1,0,0|1,0,0]=3 530 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [0,0,1,1,0,0|1,0,1]=4 531 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [0,0,1,1,0,0|2,0,0]=4 532 B12R1.130 CN1CCCC1CNCC(=O)O MCULE-3274185883 [0,0,1,1,0,0|2,0,0]=4 533 B12R1.130 CN1CCCC1COCC(=O)O MCULE-2248139834 [0,0,1,1,0,0|2,0,0]=4 534 B12R1.130 CN1CCCC1COCC(=O)O MCULE-6246100493 [0,0,1,1,0,0|2,0,0]=4 535 B12R1.130 CN1CCC[C@H]1CNCC(=O)O MCULE-5802596984 [0,0,1,1,0,0|2,0,0]=4 536 B12R1.130 CN1CCC[C@H]1COCC(=O)O MCULE-6137867536 [0,0,1,1,0,0|2,0,0]=4 537 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-7372073941 [0,0,1,1,0,0|2,0,0]=4 538 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-9427535286 [0,0,1,1,0,0|2,0,0]=4 539 B12R1.252 C=C(C)CCCC1CCCCC1 MCULE-7799078786 [0,0,1,1,0,0|2,0,0]=4 540 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [0,0,1,1,0,0|1,0,0]=3 541 B12R1.252 CC(=O)SCCC1CCCCC1 MCULE-8635148363 [0,0,1,1,0,0|2,0,0]=4 542 B12R1.252 NC(=O)CCCC1CCNCC1 MCULE-8068328020 [0,0,1,1,0,0|2,0,0]=4 543 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [0,0,1,1,0,0|2,0,0]=4 544 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [0,0,1,1,0,0|1,0,0]=3 545 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [0,0,1,1,0,0|0,0,0]=2 546 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [0,0,1,1,0,0|1,0,0]=3 547 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [0,0,1,1,0,0|1,0,0]=3 548 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [0,0,1,1,0,0|1,0,0]=3 549 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [0,0,1,1,0,0|1,0,0]=3 550 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [0,0,1,1,0,0|1,0,0]=3 551 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [0,0,1,1,0,0|1,0,0]=3 552 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [0,0,1,1,0,0|1,0,0]=3 553 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [0,0,1,1,0,0|2,0,0]=4 554 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [0,0,1,1,0,0|2,0,0]=4 555 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [0,0,1,1,0,0|1,0,0]=3 556 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [0,0,1,1,0,0|2,0,0]=4 557 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [0,0,1,1,0,0|2,0,0]=4 558 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [0,0,1,1,0,0|1,0,0]=3 559 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [0,0,1,1,0,0|1,0,0]=3 560 B12R1.252 O=C(O)COCC1CCCCO1 MCULE-4058015104 [0,0,1,1,0,0|2,0,0]=4 561 B12R1.252 O=C(O)CSCC1CCCCO1 MCULE-4195821334 [0,0,1,1,0,0|2,0,0]=4 562 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [0,0,1,1,0,0|0,0,1]=3 563 B12R1.252 OB(O)CCCC1CCCCC1 MCULE-4093256475 [0,0,1,1,0,0|1,0,1]=4 564 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-1283308328 [0,0,1,1,0,0|1,0,0]=3 565 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-5666620583 [0,0,1,1,0,0|1,0,0]=3 566 B12R1.283 CCCN1CCNCC1C(=O)O MCULE-8138651228 [0,0,1,1,0,0|2,0,0]=4 567 B12R1.289 COCC1CCCN1CC(=O)O MCULE-8271632316 [0,0,1,1,0,0|2,0,0]=4 568 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [0,0,1,1,0,0|1,0,1]=4 569 B12R1.405 CCN1CCCCCC1C(=O)O MCULE-2326419949 [0,0,1,1,0,0|1,0,0]=3 570 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [0,0,1,1,0,0|1,0,0]=3 571 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [0,0,1,1,0,0|0,0,0]=2 572 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [0,0,1,1,0,0|1,0,0]=3 573 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [0,0,1,1,0,0|1,0,0]=3 574 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [0,0,1,1,0,0|1,0,0]=3 575 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [0,0,1,1,0,0|1,0,0]=3 576 B12R1.116 CCC[C@H]1CC[C@@H](CC1)CC=O MCULE-4061670444 [0,0,1,1,0,0|1,0,0]=3 577 B12R2.2 C1CCC(CC1)C2CCCN2 MCULE-7010533009 [1,0,0,1,0,0|1,0,1]=4 578 B12R2.2 C1CCC(CC1)C2CCNC2 MCULE-6618879022 [1,0,0,1,0,0|2,0,0]=4 579 B12R2.2 C1CCC(CC1)C2CCNC2 MCULE-7223246071 [1,0,0,1,0,0|2,0,0]=4 580 B12R2.2 C1CCC(NC1)C2CCCO2 MCULE-4944563528 [1,0,0,1,0,0|1,0,1]=4 581 B12R2.2 C1COC(C1)C2CCNCC2 MCULE-5613265580 [1,0,0,1,0,0|1,0,1]=4 582 B12R2.98 C1CCC(C1)CC2CCCN2 MCULE-7149580562 [1,0,0,1,0,0|1,0,1]=4 583 B12R2.98 C1CCC(C1)CC2CCCN2 MCULE-7227065575 [1,0,0,1,0,0|1,0,1]=4 584 B12R2.98 C1CCC(C1)CC2CCNC2 MCULE-2913606797 [1,0,0,1,0,0|2,0,0]=4 585 B12R2.98 C1CCC(C1)CC2CCNC2 MCULE-5580219085 [1,0,0,1,0,0|2,0,0]=4 586 B12R2.98 C1CNC(C1)CC2CCCO2 MCULE-4267251389 [1,0,0,1,0,0|1,0,1]=4 587 B12R2.2383 C1COC(C1)CNCC2CC2 MCULE-4392863350 [1,0,0,1,0,0|1,0,1]=4 588 B12R2.4328 C1CCCC2(CC1)CCNC2 MCULE-2993831600 [1,0,0,1,0,0|2,0,0]=4 589 B12R2.4328 C1CCCC2(CC1)CCNC2 MCULE-5441899310 [1,0,0,1,0,0|2,0,0]=4 590 B12R2.4328 C1CNCCC2(C1)CCCO2 MCULE-7443501208 [1,0,0,1,0,0|1,0,1]=4 591 B12R2.6 O=C1CC(CN1)C2CCCC2 MCULE-7577399562 [1,0,0,1,0,0|2,0,0]=4 592 B12R2.6 O=C1CCC(C1)C2CCCC2 MCULE-9636017250 [1,0,0,1,0,0|1,0,0]=3 593 B12R2.375 COC1OCC2C1CC(=O)O2 MCULE-5720946300 [1,0,0,1,0,0|2,0,0]=4 594 B12R2.375 CO[C@H]1OC[C@H]2[C@@H]1CC(=O)O2 MCULE-4081479521 [1,0,0,1,0,0|2,0,0]=4 595 B12R2.375 CO[C@H]1OC[C@H]2[C@@H]1CC(=O)O2 MCULE-9782089683 [1,0,0,1,0,0|2,0,0]=4 596 B12R2.375 [C@H]12CC(=O)O[C@H]1COC2OC MCULE-2750034634 [1,0,0,1,0,0|2,0,0]=4 597 B12R2.375 [C@H]12CC(=O)O[C@H]1CO[C@@H]2OC MCULE-1306471249 [1,0,0,1,0,0|2,0,0]=4 598 B12R2.1041 O=C1CC2CCCCCC2C1 MCULE-3866880179 [1,0,0,1,0,0|1,0,0]=3 599 B12R2.2314 CC1CCCC12CNC(=O)C2 MCULE-4725765806 [1,0,0,1,0,0|2,0,0]=4 600 B12R2.2918 O=C1CC2(CCCCC2)CN1 MCULE-6823485026 [1,0,0,1,0,0|2,0,0]=4 601 B12R2.2918 O=C1CCC2(C1)CCCCC2 MCULE-9066804202 [1,0,0,1,0,0|1,0,0]=3 602 B12R2.2918 O=C1CCC2(N1)CCCCC2 MCULE-5736156500 [1,0,0,1,0,0|1,0,0]=3 603 B12R2.2918 O=C1CCC2(N1)CCNCC2 MCULE-2123389887 [1,0,0,1,0,0|2,0,0]=4 604 B12R2.2918 O=C1CCC2(N1)CCNCC2 MCULE-2948871796 [1,0,0,1,0,0|2,0,0]=4 605 B12R2.2918 O=C1CCC2(N1)CCNCC2 MCULE-7554250705 [1,0,0,1,0,0|2,0,0]=4 606 B12R2.2918 O=C1CCC2(O1)CCCCC2 MCULE-2524698119 [1,0,0,1,0,0|0,0,0]=2 607 B12R2.2918 O=C1CCC2(O1)CCCNC2 MCULE-2577773053 [1,0,0,1,0,0|1,0,0]=3 608 B12R2.2918 O=C1CCC2(O1)CCCNC2 MCULE-9482796143 [1,0,0,1,0,0|1,0,0]=3 609 B12R2.2918 O=C1CCC2(O1)CCNCC2 MCULE-5449830396 [1,0,0,1,0,0|1,0,0]=3 610 B12R2.2918 O=C1CCC2(O1)CCNCC2 MCULE-7439815792 [1,0,0,1,0,0|1,0,0]=3 611 B12R2.2918 O=C1CNC2(N1)CCCCC2 MCULE-1343250676 [1,0,0,1,0,0|2,0,0]=4 612 B12R2.2918 O=C1COC2(O1)CCCCC2 MCULE-2313287382 [1,0,0,1,0,0|1,0,0]=3 613 B12R2.2918 O=C1CSC2(N1)CCCCC2 MCULE-8806088221 [1,0,0,1,0,0|2,0,0]=4 614 B12R2.2918 O=C1NCC2(O1)CCCCC2 MCULE-5479893010 [1,0,0,1,0,0|1,0,0]=3 615 B12R2.2918 O=C1NCC2(O1)CCCNC2 MCULE-3807410263 [1,0,0,1,0,0|2,0,0]=4 616 B12R2.2918 O=C1NCC2(O1)CCCNC2 MCULE-6113783854 [1,0,0,1,0,0|2,0,0]=4 617 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-1720445749 [1,0,0,1,0,0|2,0,0]=4 618 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-2982199364 [1,0,0,1,0,0|2,0,0]=4 619 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-6335475631 [1,0,0,1,0,0|2,0,0]=4 620 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-2077507217 [1,0,0,1,0,0|2,0,0]=4 621 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-9643606091 [1,0,0,1,0,0|2,0,0]=4 622 B12R2.22 O=C1CC(C1)C2CCCCC2 MCULE-8479383540 [0,0,0,1,1,0|1,0,0]=3 623 B12R2.22 O=C1CC(C1)C2CCOCC2 MCULE-5710758476 [0,0,0,1,1,0|2,0,0]=4 624 B12R2.1058 O=C1CC2(N1)CCCCCC2 MCULE-1515445669 [0,0,0,1,1,0|1,0,0]=3 625 B12R2.1067 O=C1NC2C1CCCCCC2 MCULE-1390214368 [0,0,0,1,1,0|1,0,0]=3 626 B12R2.23 O=C1CCN1C2CCNCC2 MCULE-5833239774 [0,0,0,1,1,0|2,0,0]=4 627 B12R2.23 O=C1CCN1C2CCNCC2 MCULE-7641617906 [0,0,0,1,1,0|2,0,0]=4 628 B14R2.21 O=C1CCCC(C1)C2CCCCC2 MCULE-5210776607 [0,0,0,1,0,1|1,0,0]=3 629 B14R2.21 O=C1CCCC(C1)C2CCOCC2 MCULE-3170146152 [0,0,0,1,0,1|2,0,0]=4 630 B14R2.716 O=C1CN(CCN1)CC2CCCC2 MCULE-4996661345 [0,0,0,1,0,1|2,0,0]=4 631 B14R2.7963 O=C1CNCC2N1CCCCNC2 MCULE-1744598469 [0,0,0,1,0,1|2,0,0]=4 632 B14R2.7963 O=C1CNCC2N1CCCCNC2 MCULE-9912087512 [0,0,0,1,0,1|2,0,0]=4 633 B14R2.23229 O=C1CCCC2(C1)CCCCCC2 MCULE-5132487689 [0,0,0,1,0,1|1,0,0]=3 634 B14R2.68 O=C1CCC(CC1)C2CCCCC2 MCULE-6556095847 [0,0,0,1,0,1|1,0,0]=3 635 B14R2.68 O=C1CCC(CC1)C2CCNCC2 MCULE-2156427200 [0,0,0,1,0,1|2,0,0]=4 636 B14R2.68 O=C1CCC(CC1)C2CCNCC2 MCULE-2408687902 [0,0,0,1,0,1|2,0,0]=4 637 B14R2.68 O=C1CCC(CC1)C2CCNCC2 MCULE-5336307723 [0,0,0,1,0,1|2,0,0]=4 638 B14R2.68 O=C1CCN(CC1)C2CCCCC2 MCULE-6697259665 [0,0,0,1,0,1|2,0,0]=4 639 B14R2.72 O=C1CCC(CC1)OC2CCCC2 MCULE-7242139652 [0,0,0,1,0,1|2,0,0]=4 640 B14R2.8474 O=C1C=CC2(CCCCCC2)CC1 MCULE-4355169199 [0,0,0,1,0,1|1,0,0]=3 641 B14R2.8474 O=C1CCC2(CCCCCC2)CC1 MCULE-2923866748 [0,0,0,1,0,1|1,0,0]=3 642 B14R2.19 O=C1NC(CO1)CC2CCCCC2 MCULE-2329854021 [0,1,0,1,0,0|2,0,0]=4 643 B14R2.19 O=C1NC(CO1)CC2CCOCC2 MCULE-1752906099 [0,1,0,1,0,0|2,0,0]=4 644 B14R2.250 N[C@H]1CCN(C1)CC2CNC(=O)O2 MCULE-6792175644 [0,1,0,1,0,0|2,0,0]=4 645 B14R2.250 N[C@H]1CCN(C1)CC2CNC(=O)O2 MCULE-8042007510 [0,1,0,1,0,0|2,0,0]=4 646 B14R2.38463 BrCC1CCC2(O1)CCCCCC2 MCULE-9287895520 [0,1,0,1,0,0|1,0,1]=4 647 B14R2.38463 NCC1CCC2(O1)CCCCCC2 MCULE-3577243814 [0,1,0,1,0,0|1,0,1]=4 648 B14R2.38463 NCC1CCC2(O1)CCCCCC2 MCULE-5564968062 [0,1,0,1,0,0|1,0,1]=4 649 B14R2.27809 CN1CC2(CCCNCC2)OC1=O MCULE-8212171367 [0,1,0,1,0,0|2,0,0]=4 650 B10R0.75 CCCCCCC(Br)C(=O)Br MCULE-8391154868 [0,0,1,0,1,0|2,0,0]=4 651 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [0,0,1,0,1,0|2,0,0]=4 652 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [0,0,1,0,1,0|0,0,0]=2 653 B10R0.75 CCCCCCC(C)C(=O)Cl MCULE-4801747974 [0,0,1,0,1,0|1,0,0]=3 654 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [0,0,1,0,1,0|1,0,0]=3 655 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [0,0,1,0,1,0|2,0,0]=4 656 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [0,0,1,0,1,0|2,0,0]=4 657 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [0,0,1,0,1,0|2,0,0]=4 658 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [0,0,1,0,1,0|2,0,0]=4 659 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [0,0,1,0,1,0|2,0,0]=4 660 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [0,0,1,0,1,0|2,0,0]=4 661 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [0,0,1,0,1,0|2,0,0]=4 662 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [0,0,1,0,1,0|2,0,0]=4 663 B10R1.24 CCCCCC1CC(=O)C1 MCULE-5494050284 [1,0,0,0,1,0|1,0,0]=3 664 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,0,0,0,0,2|1,0,0]=3