0 B14R1.3331 CS(=O)(=O)NCCSC1CCCCC1 MCULE-4420635041 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.3331 O=S(=O)(O)CCCCN1CCNCC1 MCULE-8282584470 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.3331 O=S(=O)(O)CCCCN1CCOCC1 MCULE-9858919338 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 MCULE-7620727007 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.3331 O=S(=O)([O-])CCCNC1CCCCC1 MCULE-5022222381 [0,0,0,0,0,0|0,0,1]=1 5 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.337 O=C(O)CCCOC1CCOCC1 MCULE-9068336054 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.337 O=N(=O)CCCOC1CCCCO1 MCULE-2789117712 [1,0,0,0,0,0|3,0,0]=4 17 B15R1.3465 O=S(=O)(O)CC(O)CNC1CCCCC1 MCULE-5040740703 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.3465 O=S(=O)([O-])CC(O)CNC1CCCCC1 MCULE-6810529502 [0,1,0,0,0,0|0,0,1]=2 19 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [0,0,1,0,0,0|2,0,1]=4 20 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [0,0,1,0,0,0|2,0,0]=3 21 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [0,0,1,0,0,0|2,0,0]=3 22 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [0,0,1,0,0,0|1,0,0]=2 23 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [0,0,1,0,0,0|1,0,1]=3 24 B15R2.7532 O=S1(=O)CCC(C1)NC2CCCCC2 MCULE-2370351466 [0,0,0,1,0,0|1,0,0]=2 25 B15R2.7532 O=S1(=O)CCC(C1)NC2CCCCC2 MCULE-6049416984 [0,0,0,1,0,0|1,0,0]=2 26 B15R2.7532 O=S1(=O)CCC(C1)NC2CCNCC2 MCULE-5414645859 [0,0,0,1,0,0|2,0,0]=3 27 B15R2.7532 O=S1(=O)CCC(C1)NC2CCOCC2 MCULE-4442932310 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.7532 O=S1(=O)CCC(C1)NC2CCOCC2 MCULE-9663229120 [0,0,0,1,0,0|2,0,0]=3 29 B15R2.109477 CS(=O)(=O)N1CCOC2C1CCCC2 MCULE-7619550342 [0,0,0,1,0,0|3,0,0]=4 30 B13R1.2904 O=S(=O)(Cl)CCOCC1CCCC1 MCULE-9420272854 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.3523 CS(=O)(=O)CCCN1CCNCC1 MCULE-4693390799 [0,0,0,0,1,0|3,0,0]=4 32 B13R1.3523 CS(=O)(=O)CCCN1CCNCC1 MCULE-5397275476 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.3523 CS(=O)(=O)NCCC1CCCCN1 MCULE-2051242249 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.3523 CS(=O)(=O)NCCC1CCCNC1 MCULE-1085603788 [0,0,0,0,1,0|3,0,0]=4 35 B13R1.3523 CS(=O)(=O)NCCC1CCCNC1 MCULE-8886819975 [0,0,0,0,1,0|3,0,0]=4 36 B13R1.3523 CS(=O)(=O)NCCC1CCNCC1 MCULE-1852884964 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.3523 CS(=O)(=O)NCCC1CCNCC1 MCULE-4998709949 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.3523 CS(=O)(=O)OCCC1CCCCO1 MCULE-3295056830 [0,0,0,0,1,0|3,0,0]=4 39 B13R1.3523 CS(=O)(=O)OCCC1CCOCC1 MCULE-5067686087 [0,0,0,0,1,0|3,0,0]=4 40 B13R1.3523 NS(=O)(=O)CCCC1CCCCC1 MCULE-7609013844 [0,0,0,0,1,0|1,0,0]=2 41 B13R1.3523 NS(=O)(=O)NCCC1CCNCC1 MCULE-3215416029 [0,0,0,0,1,0|3,0,0]=4 42 B13R1.3523 NS(=O)(=O)NCCC1CCNCC1 MCULE-5277276954 [0,0,0,0,1,0|3,0,0]=4 43 B13R1.3523 O=S(=O)(Cl)CCCC1CCCCC1 MCULE-6744397786 [0,0,0,0,1,0|1,0,0]=2 44 B13R1.3523 O=S(=O)(Cl)CCCC1CCOCC1 MCULE-5685645416 [0,0,0,0,1,0|2,0,0]=3 45 B13R1.3523 O=S(=O)(Cl)CCCN1CCOCC1 MCULE-1928926596 [0,0,0,0,1,0|3,0,0]=4 46 B13R1.3523 O=S(=O)(Cl)CCCN1CCOCC1 MCULE-3757804438 [0,0,0,0,1,0|3,0,0]=4 47 B13R1.3523 O=S(=O)(Cl)CCOC1CCOCC1 MCULE-5840268597 [0,0,0,0,1,0|3,0,0]=4 48 B13R1.3523 O=S(=O)(O)CCCN1CCCCC1 MCULE-9326335759 [0,0,0,0,1,0|1,0,0]=2 49 B13R1.3523 O=S(=O)(O)CCCN1CCOCC1 MCULE-9768701257 [0,0,0,0,1,0|2,0,0]=3 50 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 MCULE-1130417163 [0,0,0,0,1,0|0,0,0]=1 51 B13R1.3523 O=S(=O)([O-])CCCN1CCOCC1 MCULE-9566709405 [0,0,0,0,1,0|2,0,1]=4 52 B15R1.3890 O=S(=O)(O)CCCCNC1CCCCC1 MCULE-9713827280 [0,0,0,0,0,1|0,0,0]=1 53 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [1,0,1,0,0,0|1,0,1]=4 54 B12R0.119 CCCCCCCCCS(=O)(=O)Cl MCULE-8052966186 [1,0,1,0,0,0|1,0,0]=3 55 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-1927567552 [1,0,1,0,0,0|0,0,1]=3 56 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-3281419364 [1,0,1,0,0,0|0,0,1]=3 57 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] MCULE-5107186458 [1,0,1,0,0,0|1,0,1]=4 58 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] MCULE-8859174394 [1,0,1,0,0,0|1,0,1]=4 59 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,0,1,0,0,0|2,0,0]=4 60 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.8 CNCCCNC1CCCCC1 MCULE-1606901160 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.8 N#CCCCNC1CCCCC1 MCULE-5533357168 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.8 OCCCCNC1CCCCC1 MCULE-2543962577 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.8 OCCCCNC1CCOCC1 MCULE-1619843093 [2,0,0,0,0,0|2,0,0]=4 65 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,1,1,0,0,0|1,0,1]=4 66 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,1,1,0,0,0|1,0,1]=4 67 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,1,1,0,0,0|1,0,0]=3 68 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,1,1,0,0,0|1,0,1]=4 69 B14R0.2056 CCCCCCCCCCS(=O)(=O)NN MCULE-3501182518 [0,1,1,0,0,0|2,0,0]=4 70 B14R1.420 O=C(O)CCCC(=O)C1CCCCC1 MCULE-2351809970 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.423 O=C(O)CCC(=O)NC1CCCCC1 MCULE-5245682994 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.9400 CC(COC1CCCC1)CS(=O)(=O)Cl MCULE-3474032277 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.433 CS(=O)(=O)CC(=O)NC1CCCCC1 MCULE-8207431338 [0,1,0,0,1,0|1,0,1]=4 74 B14R1.433 O=S(=O)(O)CC(O)CN1CCOCC1 MCULE-7727794682 [0,1,0,0,1,0|2,0,0]=4 75 B16R1.59031 O=C(NCCS(=O)(=O)O)NC1CCCCC1 MCULE-1716723868 [0,1,0,0,0,1|0,0,1]=3 76 B14R1.3453 CCCCCCOC1CCS(=O)(=O)C1 MCULE-9137999615 [0,0,1,1,0,0|2,0,0]=4 77 B14R2.333 O=S1(=O)CCCN1C2CCCNC2 MCULE-5101946244 [1,0,0,1,0,0|1,0,0]=3 78 B14R2.333 O=S1(=O)CCCN1C2CCNCC2 MCULE-2364713087 [1,0,0,1,0,0|1,0,0]=3 79 B14R2.333 O=S1(=O)CCCN1C2CCNCC2 MCULE-3771656847 [1,0,0,1,0,0|1,0,0]=3 80 B14R2.333 O=S1(=O)NCCN1C2CCNCC2 MCULE-3934116932 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.333 O=S1(=O)NCCN1C2CCNCC2 MCULE-8624958162 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.780 O=C(O)C1CCN1C2CCCCC2 MCULE-3289973100 [1,0,0,1,0,0|1,0,0]=3 83 B14R2.31359 O=C(O)C1CCCC2C1CCCC2 MCULE-2075917209 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.24043 O=S1(=O)CCC(C1)NC2CCCC2 MCULE-1832632694 [0,0,0,1,1,0|1,0,0]=3 85 B14R2.24043 O=S1(=O)CCC(C1)NC2CCCC2 MCULE-3888734559 [0,0,0,1,1,0|1,0,0]=3 86 B14R2.403 O=S1(=O)CCC(C1)N2CCCCC2 MCULE-8438980588 [0,0,0,1,1,0|2,0,0]=4 87 B14R2.403 O=S1(=O)CCC(C1)[NH+]2CCCCC2 MCULE-5395897968 [0,0,0,1,1,0|2,0,0]=4 88 B16R2.14817 O=S1(=O)C=C(CCC1)NC2CCCCC2 MCULE-1492918146 [0,0,0,1,0,1|1,0,0]=3 89 B16R2.96850 O=S1(=O)CCC(C1)NC2CSCCSC2 MCULE-5236527960 [0,0,0,1,0,1|2,0,0]=4 90 B16R2.13709 O=S1(=O)CCC(CC1)NC2CCOCC2 MCULE-9589996986 [0,1,0,1,0,0|2,0,0]=4 91 B16R2.2889 O=S1(=O)CC(C(C1)NC2CCCCC2)O MCULE-6971852183 [0,1,0,1,0,0|1,0,0]=3 92 B16R2.629300 O=S(=O)(Cl)CC1CCC2(O1)CCCCC2 MCULE-9867734987 [0,1,0,1,0,0|2,0,0]=4 93 B16R2.250682 CN(C1CCCCC1)C2CCS(=O)(=O)C2 MCULE-1918938493 [0,1,0,1,0,0|1,0,0]=3 94 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [1,0,0,0,1,0|1,0,0]=3 98 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [1,0,0,0,1,0|2,0,0]=4 100 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [1,0,0,0,1,0|2,0,0]=4 102 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.252 OB(O)CCCC1CCCCC1 MCULE-4093256475 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.890 NS(=O)(=O)CCCC1CCCC1 MCULE-5066271688 [0,0,0,0,2,0|1,0,0]=3 111 B12R1.890 O=S(=O)(Cl)CCCC1CCCC1 MCULE-2318188109 [0,0,0,0,2,0|1,0,0]=3 112 B12R1.890 O=S(=O)(Cl)CCCC1CCOC1 MCULE-1763650837 [0,0,0,0,2,0|2,0,0]=4 113 B12R1.890 O=S(=O)(Cl)CCCN1CCCC1 MCULE-1598200367 [0,0,0,0,2,0|2,0,0]=4 114 B12R1.890 O=S(=O)(Cl)CCCN1CCCC1 MCULE-7340116439 [0,0,0,0,2,0|2,0,0]=4 115 B12R1.891 CS(=O)(=O)CCC1CCCCN1 MCULE-2291185388 [0,0,0,0,2,0|2,0,0]=4 116 B12R1.891 CS(=O)(=O)CCC1CCCCN1 MCULE-2955692204 [0,0,0,0,2,0|2,0,0]=4 117 B12R1.891 CS(=O)(=O)CCC1CCNCC1 MCULE-2361985442 [0,0,0,0,2,0|2,0,0]=4 118 B12R1.891 CS(=O)(=O)CCC1CCNCC1 MCULE-8243876494 [0,0,0,0,2,0|2,0,0]=4 119 B12R1.891 CS(=O)(=O)NCC1CCCCC1 MCULE-7214898905 [0,0,0,0,2,0|2,0,0]=4 120 B12R1.891 NS(=O)(=O)CCC1CCCCC1 MCULE-2360578309 [0,0,0,0,2,0|1,0,0]=3 121 B12R1.891 NS(=O)(=O)CCC1CCCCN1 MCULE-8769795461 [0,0,0,0,2,0|2,0,0]=4 122 B12R1.891 NS(=O)(=O)CCC1CCCCN1 MCULE-9797145595 [0,0,0,0,2,0|2,0,0]=4 123 B12R1.891 NS(=O)(=O)CCC1CCCCO1 MCULE-2123421417 [0,0,0,0,2,0|2,0,0]=4 124 B12R1.891 NS(=O)(=O)CCC1CCNCC1 MCULE-6009892342 [0,0,0,0,2,0|2,0,0]=4 125 B12R1.891 NS(=O)(=O)NCC1CCCCC1 MCULE-7411455973 [0,0,0,0,2,0|2,0,0]=4 126 B12R1.891 O=S(=O)(Cl)CCC1CCCCC1 MCULE-1325872536 [0,0,0,0,2,0|1,0,0]=3 127 B12R1.891 O=S(=O)(Cl)CCC1CCCCO1 MCULE-1323308549 [0,0,0,0,2,0|2,0,0]=4 128 B12R1.891 O=S(=O)(Cl)CCC1CCCOC1 MCULE-6785187576 [0,0,0,0,2,0|2,0,0]=4 129 B12R1.891 O=S(=O)(Cl)CCC1CCOCC1 MCULE-5638833183 [0,0,0,0,2,0|2,0,0]=4 130 B12R1.891 O=S(=O)(F)CCC1CCCCN1 MCULE-6666212910 [0,0,0,0,2,0|2,0,0]=4 131 B12R1.891 O=S(=O)(F)CCC1CCCCN1 MCULE-8220113864 [0,0,0,0,2,0|2,0,0]=4 132 B12R1.891 O=S(=O)(O)CCC1CCNCC1 MCULE-5986223279 [0,0,0,0,2,0|1,0,0]=3 133 B12R1.891 O=S(=O)(O)CCN1CCNCC1 MCULE-5356364387 [0,0,0,0,2,0|2,0,0]=4 134 B12R1.891 O=S(=O)(O)CCN1CCOCC1 MCULE-2780053976 [0,0,0,0,2,0|2,0,0]=4 135 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [1,0,0,0,0,1|2,0,0]=4