0 B12R1.455 CCCCCC1=CC=C(O1)C=O Z1511770246 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.455 CCCCCC1=CC=C(O1)CN Z4554665961 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.455 CCCCOC1=CC=C(O1)C=O Z1309665052 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.455 COCCOC1=CC=C(O1)C=O Z1309664927 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [1,0,0,0,0,0|0,0,3]=4 5 B11R1.27 NCCCCC1=CC=C(S1)Cl Z2027049471 [1,0,0,0,0,0|2,1,0]=4 6 B11R1.214 CCCCC1=NC(=CN1)C=O Z2940229144 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.214 CCOCC1=CC=C(O1)C=O Z1198171016 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.214 COCCC1=NC=C(S1)C=O Z818738392 [1,0,0,0,0,0|2,1,0]=4 9 B13R1.61 COC(=O)CCC1=CC=C(O1)C=O Z357939420 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.189 CCCCCCC1=CC=C(S1)C=O Z1255491185 [0,1,0,0,0,0|0,1,0]=2 11 B13R1.658 CCCCCC1=CC(=NN1)C(=O)O Z1262526063 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.658 CCCCCC1=CC=C(O1)C(=O)O Z1262521779 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.658 CCCCCC1=NC(=CS1)C(=O)O Z1255421080 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.4 CCC1=CC=C(O1)C2CCCN2 Z1198734833 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.4 O=CC1=CC=C(O1)N2CCCC2 Z57349132 [0,0,0,1,0,0|1,0,0]=2 16 B13R2.4 O=CC1=CN(N=C1)C2CCCC2 Z802542450 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.4 O=CC1=CN=C(S1)C2CCCC2 Z802592096 [0,0,0,1,0,0|1,1,0]=3 18 B13R2.4 O=CC1=CN=C(S1)C2CCCO2 Z1259146149 [0,0,0,1,0,0|2,1,0]=4 19 B13R2.4 O=CC1=NN(C=C1)C2CCCC2 Z1511894365 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.1515 O=CC1=CN2CCCCCC2=N1 Z1216842529 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.1515 O=CC1=NC2=C(S1)CCCCC2 Z1037606470 [0,0,0,1,0,0|1,1,0]=3 22 B13R2.2093 O=CC1=CN=C2N1CCCCC2 Z1162448801 [0,0,0,1,0,0|2,0,0]=3 23 B13R2.2468 O=CC1=CN(N=C1)CC2CCC2 Z1255401896 [0,0,0,1,0,0|3,0,0]=4 24 B13R1.371 CCCCOC1=CC=C(C=C1)C=O Z57887685 [0,0,0,0,0,1|2,0,0]=3 25 B13R1.371 CCOCOC1=CC=C(C=C1)C=O Z1259228789 [0,0,0,0,0,1|3,0,0]=4 26 B13R1.371 COCCOC1=CC=C(C=C1)C=O Z242061302 [0,0,0,0,0,1|3,0,0]=4 27 B13R1.371 N#CCCCC1=CC=C(C=C1)C=O Z1511790840 [0,0,0,0,0,1|2,0,1]=4 28 B13R1.371 O=CC1=CC=C(C=C1)OCCCCl Z1198147735 [0,0,0,0,0,1|3,0,0]=4 29 B13R1.666 COCCOC1=CC(=CC=C1)C=O Z167801886 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [2,0,0,0,0,0|1,1,0]=4 31 B10R1.96 CCCC1=CC=C(S1)C=O Z1198171732 [2,0,0,0,0,0|0,1,0]=3 32 B10R1.96 CCCC1=CSC(=N1)C=O Z1037606512 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.96 CCCC1=NC=C(S1)C=O Z802592208 [2,0,0,0,0,0|1,1,0]=4 34 B10R1.96 CCCN1C=CC(=C1)C=O Z1274736901 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.96 CCCN1C=CC(=N1)C=O Z1198164999 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.96 CCOC1=CC=C(O1)C=O Z1309664832 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.96 COCC1=CC=C(O1)C=O Z1198159985 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.96 COCC1=CC=C(S1)C=O Z1198171031 [2,0,0,0,0,0|1,1,0]=4 39 B12R1.7 COCCNCC1=CC=C(O1)C Z1076473412 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.59 O=CC1=CC=C(O1)CCC(=O)O Z3005718637 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.59 O=CC1=CC=C(O1)CSC(F)F Z56946909 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.61 CCC(C)CN1C=CC(=C1)C=O Z1274736821 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.312 CCOC(=O)C1=CC=C(O1)C=O Z1255498143 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.337 CCCCC1=CSC(=N1)C(=O)[O-] Z1029445950 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.337 CCCCC1=NC(=CS1)C(=O)O Z1255417351 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.337 CCCCC1=NC=C(S1)C(=O)O Z1262513689 [1,1,0,0,0,0|1,1,0]=4 47 B12R1.337 CCCCN1C=CC(=N1)C(=O)O Z1198171388 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.337 CCOCC1=CC=C(O1)C(=O)O Z166631686 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.380 CCCCC1=NC(=C(N1)Cl)C=O Z1741971718 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.4 CC(C)CCOC1=CC=C(C=C1)C=O Z56862384 [0,1,0,0,0,1|2,0,0]=4 51 B14R1.462 CCCCCC1=CC=C(C=C1)C(=O)C Z239095430 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.462 CCCCOC1=CC=C(C=C1)C(=O)C Z96102749 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.462 CCCCOC1=CC=C(C=C1)C(=O)N Z33547227 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.462 CCCCOC1=CC=C(C=C1)C(=O)O Z56862706 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.462 CCCCOC1=NC=C(C=C1)C(=O)O Z409191452 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.776 CCCCCNC1=NC=C(C=N1)C=O Z2682987477 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.776 CCCCCOC1=CC=C(C=C1)C=O Z56957503 [0,1,0,0,0,1|1,0,0]=3 58 B14R1.776 COCCOCC1=CC=C(C=C1)C=O Z2016905573 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.228 COCCCOC1=CC(=CC=C1)C=O Z441047940 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.899 CCCCNC1=CC(=NC=C1)C(=O)N Z425851640 [0,1,0,0,0,1|2,0,0]=4 61 B14R1.899 CCCCSC1=CC(=CC=C1)C(=O)O Z1201631590 [0,1,0,0,0,1|2,0,0]=4 62 B14R1.899 O=C(O)C1=CC=CC(=C1)CCCCO Z1262557056 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.220 CCCCCCC1=CC=C(S1)C(=O)O Z1269187965 [0,2,0,0,0,0|0,1,0]=3 64 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [0,0,1,1,0,0|2,0,0]=4 65 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [0,0,1,1,0,0|1,0,1]=4 66 B12R2.6 CC1=CC=C(O1)C2CCCN2 Z1198169089 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1041 O=C1NC2=C(S1)CCCCC2 Z409413352 [1,0,0,1,0,0|1,1,0]=4 68 B12R2.32 O=CC1=CC2=C(N1)CCCC2 Z228590100 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.32 O=CC1=CC2=C(O1)CCCC2 Z1416182150 [1,0,0,1,0,0|0,0,0]=2 70 B12R2.32 O=CC1=CC2=C(S1)CCOC2 Z1255406348 [1,0,0,1,0,0|1,1,0]=4 71 B12R2.32 O=CC1=NC2=C(N1)CCCC2 Z1172333220 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.32 O=CC1=NC2=C(S1)CCCC2 Z1037606612 [1,0,0,1,0,0|1,1,0]=4 73 B12R2.32 O=CC1=NN2CCCCC2=C1 Z1198184804 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.42 CC1CC1C2=CC=C(O2)C=O Z111869238 [1,0,0,1,0,0|0,0,0]=2 75 B12R2.42 CC1CC1C2=CC=C(O2)CN Z239626806 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.42 CC1CC1C2=NC=C(S2)C=O Z1259337725 [1,0,0,1,0,0|1,1,0]=4 77 B12R2.42 C[C@@H]1C[C@H]1C2=NC=C(S2)C=O Z3752876491 [1,0,0,1,0,0|1,1,0]=4 78 B12R2.2093 O=CC1=CC=C(S1)CC2CC2 Z2466361782 [1,0,0,1,0,0|0,1,0]=3 79 B12R2.2094 O=CC1=CN(C=C1)C2CCC2 Z4922949067 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.2094 O=CC1=CN=C(S1)C2CCC2 Z1255410097 [1,0,0,1,0,0|1,1,0]=4 81 B12R2.2094 O=CC1=CNC(=N1)C2CCC2 Z1255411335 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2094 O=CC1=NN(C=C1)C2CCC2 Z2732459794 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.1 O=CC1=CC=C(C=C1)C2CCCC2 Z1198315033 [0,0,0,1,0,1|1,0,0]=3 84 B14R2.1 O=CC1=CC=C(C=C1)N2CCCC2 Z57313797 [0,0,0,1,0,1|2,0,0]=4 85 B14R2.1 O=CC1=CN=C(C=C1)N2CCCC2 Z1201623264 [0,0,0,1,0,1|2,0,0]=4 86 B14R2.328 O=CC1=CC=C(C=C1)OCC2CC2 Z335440200 [0,0,0,1,0,1|2,0,0]=4 87 B14R2.331 O=CC1=CC=C(C=C1)CC2CCC2 Z2632093080 [0,0,0,1,0,1|1,0,0]=3 88 B14R2.10 O=CC1=CC(=CC=C1)C2CCCC2 Z1511761048 [0,0,0,1,0,1|1,0,0]=3 89 B14R2.152 CCN1CCC2=C1C=CC(=C2)C=O Z1198171738 [0,0,0,1,0,1|2,0,0]=4 90 B14R2.1801 CN1CCCC2=C1C=CC(=C2)C=O Z57842103 [0,0,0,1,0,1|2,0,0]=4 91 B14R2.2185 O=CC1=CC(=CC=C1)OCC2CC2 Z431958484 [0,0,0,1,0,1|2,0,0]=4 92 B14R2.3265 O=CC1=CC(=CC=C1)CC2CCC2 Z2632104704 [0,0,0,1,0,1|1,0,0]=3 93 B14R2.8 CCC1=CC=C(O1)C2CCCCN2 Z1198734834 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.8 O=CC1=CC=C(O1)N2CCCCC2 Z57908264 [0,1,0,1,0,0|0,0,0]=2 95 B14R2.8 O=CC1=CC=C(O1)N2CCOCC2 Z147641054 [0,1,0,1,0,0|1,0,0]=3 96 B14R2.8 O=CC1=CC=C(S1)C2CCOCC2 Z2690351303 [0,1,0,1,0,0|0,1,0]=3 97 B14R2.8 O=CC1=CC=C(S1)N2CCCCC2 Z56968844 [0,1,0,1,0,0|0,1,0]=3 98 B14R2.8 O=CC1=CC=C(S1)N2CCNCC2 Z57985387 [0,1,0,1,0,0|1,1,0]=4 99 B14R2.8 O=CC1=CC=C(S1)N2CCOCC2 Z56797099 [0,1,0,1,0,0|1,1,0]=4 100 B14R2.8 O=CC1=CN=C(O1)C2CCOCC2 Z2582759122 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.8 O=CC1=CN=C(S1)C2CCCCC2 Z802592134 [0,1,0,1,0,0|1,1,0]=4 102 B14R2.53 O=C(O)C1=CC=C(S1)C2CCCN2 Z2256160600 [0,1,0,1,0,0|1,1,0]=4 103 B14R2.53 O=C(O)C1=CC=C(S1)C2CCOC2 Z1705841819 [0,1,0,1,0,0|1,1,0]=4 104 B14R2.53 O=C(O)C1=COC(=N1)C2CCCC2 Z969117318 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.53 O=C(O)C1=NN(C=C1)C2CCCC2 Z1198171392 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.8053 CC1CCCC2=NC=C(N12)C(=O)O Z2433121437 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.9473 O=C(O)C1=CC(=CN1)CC2CCC2 Z2732553248 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.31232 O=C(O)C1=CN=C2N1CCCCC2 Z2596880837 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.31338 O=C(O)C1=CC2=C(S1)CCCCC2 Z56852645 [0,1,0,1,0,0|0,1,0]=3 110 B14R2.125 O=CC1=NN(C=C1I)C2CCCC2 Z3026366755 [0,1,0,1,0,0|2,0,0]=4 111 B12R1.45 COCCCN1N=CC=C1C=O Z1993711925 [0,0,0,0,1,1|2,0,0]=4