0 B17R2.7396 C(#Cc1ccccc1)CN2CCCCCC2 2230a_100000185865_100011352542 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.7396 C(#Cc1ccccc1)CN2CCCCCC2 269982a_100000185865_100011352542 [0,0,0,0,0,0|2,0,2]=4 2 B17R2.7396 C(#Cc1ccccc1)CN2CCCCCC2 34a_100000185865_100011352542 [0,0,0,0,0,0|2,0,2]=4 3 B17R2.7396 C(=C/c1ccccc1)\CN2CCCCCC2 2230a_100000185865_100016265936 [0,0,0,0,0,0|2,0,2]=4 4 B17R2.7396 C(=C/c1ccccc1)\CN2CCCCCC2 269982a_100000185865_100016265936 [0,0,0,0,0,0|2,0,2]=4 5 B17R2.7396 C(=C/c1ccccc1)\CN2CCCCCC2 34a_100000185865_100016265936 [0,0,0,0,0,0|2,0,2]=4 6 B17R2.7396 C(=Cc1ccccc1)CN2CCCCCC2 270004a_100000185865_100000210105 [0,0,0,0,0,0|2,0,2]=4 7 B17R2.7396 C(=NNc1ccccc1)C2CCCCCC2 4a_100015195140_200000763224 [0,0,0,0,0,0|3,0,0]=3 8 B17R2.7396 C(=NNc1ccccn1)C2CCCCCC2 4a_100000183288_200000763224 [0,0,0,0,0,0|4,0,0]=4 9 B17R2.7396 C(=NNc1cccnc1)C2CCCCCC2 4a_100000728903_200000763224 [0,0,0,0,0,0|4,0,0]=4 10 B17R2.7396 C(=NNc1ccncc1)C2CCCCCC2 4a_100000698918_200000763224 [0,0,0,0,0,0|4,0,0]=4 11 B17R2.7396 C1=C(CCCC1)CCNC2CCCCCC2 270004a_100000212019_100000210131 [0,0,0,0,0,0|0,0,4]=4 12 B17R2.7396 C1=C(CCCC1)CCNC2CCCCCC2 34a_100000212019_100011217769 [0,0,0,0,0,0|0,0,4]=4 13 B17R2.7396 c1cc(ccn1)CCNC2CCCCCC2 2230a_100000210984_100000723409 [0,0,0,0,0,0|1,0,0]=1 14 B17R2.7396 c1cc(ccn1)CCNC2CCCCCC2 270004a_100000742849_100000210131 [0,0,0,0,0,0|1,0,0]=1 15 B17R2.7396 c1cc(ccn1)CCNC2CCCNCC2 270004a_100000742849_100015187895 [0,0,0,0,0,0|2,0,0]=2 16 B17R2.7396 c1cc(ccn1)CCNC2CSCCSC2 270004a_100000742849_100000068409 [0,0,0,0,0,0|3,0,0]=3 17 B17R2.7396 c1cc(ccn1)CCOC2CCCCCC2 34a_100011216225_100011217769 [0,0,0,0,0,0|2,0,0]=2 18 B17R2.7396 c1cc(ccn1)CCOC2CCCCCC2 7a_100000210887_100000723409 [0,0,0,0,0,0|2,0,0]=2 19 B17R2.7396 c1cc(ccn1)CCSC2CCCCCC2 62a_100000723409_100011217769 [0,0,0,0,0,0|2,0,0]=2 20 B17R2.7396 c1cc(ccn1)CCSC2CCCCCC2 62a_100011217769_100000723409 [0,0,0,0,0,0|2,0,0]=2 21 B17R2.7396 c1cc(ccn1)CNCC2CCCCCC2 207a_100015204231_100000186114 [0,0,0,0,0,0|3,0,0]=3 22 B17R2.7396 c1cc(ccn1)CNCC2CCCCCC2 2230a_100015204231_100015193705 [0,0,0,0,0,0|3,0,0]=3 23 B17R2.7396 c1cc(ccn1)CNCC2CCCCCC2 269862a_100000210450_200000763224 [0,0,0,0,0,0|3,0,0]=3 24 B17R2.7396 c1cc(ccn1)CNN=C2CCCCCC2 4a_100000736929_100000210131 [0,0,0,0,0,0|2,0,2]=4 25 B17R2.7396 c1cc(ccn1)COCC2CCCCCC2 7a_100000699130_100015193705 [0,0,0,0,0,0|3,0,0]=3 26 B17R2.7396 c1cc(ccn1)CSCC2CCCCCC2 62a_100015193705_200000696569 [0,0,0,0,0,0|3,0,0]=3 27 B17R2.7396 c1cc(ccn1)CSCC2CCCCCC2 62a_200000696569_100015193705 [0,0,0,0,0,0|3,0,0]=3 28 B17R2.7396 c1cc(ccn1)SCCN2CCCCCC2 62a_100000722644_100000728582 [0,0,0,0,0,0|4,0,0]=4 29 B17R2.7396 c1cc(ccn1)SCCN2CCCCCC2 62a_100000728582_100000722644 [0,0,0,0,0,0|4,0,0]=4 30 B17R2.7396 c1cc(cnn1)CNCC2CCCCCC2 270004a_100015204231_100011934578 [0,0,0,0,0,0|4,0,0]=4 31 B17R2.7396 c1cc(ncn1)NCCC2CCCCCC2 27a_100011532351_100000703185 [0,0,0,0,0,0|4,0,0]=4 32 B17R2.7396 c1ccc(cc1)CCCN2CCCCCC2 2230a_100000185865_100000211621 [0,0,0,0,0,0|2,0,0]=2 33 B17R2.7396 c1ccc(cc1)CCCN2CCCCCC2 269982a_100000185865_100000211621 [0,0,0,0,0,0|2,0,0]=2 34 B17R2.7396 c1ccc(cc1)CCCN2CCCCCC2 34a_100000185865_100000211621 [0,0,0,0,0,0|2,0,0]=2 35 B17R2.7396 c1ccc(cc1)CCCN2CCCOCC2 2230a_100000685342_100000211621 [0,0,0,0,0,0|3,0,0]=3 36 B17R2.7396 c1ccc(cc1)CCCN2CCCOCC2 269982a_100000685342_100000211621 [0,0,0,0,0,0|3,0,0]=3 37 B17R2.7396 c1ccc(cc1)CCCN2CCCOCC2 34a_100000685342_100000211621 [0,0,0,0,0,0|3,0,0]=3 38 B17R2.7396 c1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100000765856 [0,0,0,0,0,0|0,0,0]=0 39 B17R2.7396 c1ccc(cc1)CCNC2CCCCCC2 270004a_100000106460_100000210131 [0,0,0,0,0,0|0,0,0]=0 40 B17R2.7396 c1ccc(cc1)CCNC2CCCCCC2 34a_100000106460_100011217769 [0,0,0,0,0,0|0,0,0]=0 41 B17R2.7396 c1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100000765856 [0,0,0,0,0,0|0,0,0]=0 42 B17R2.7396 c1ccc(cc1)CCNC2CCCNCC2 270004a_100000106460_100015187895 [0,0,0,0,0,0|1,0,0]=1 43 B17R2.7396 c1ccc(cc1)CCNC2CSCCSC2 270004a_100000106460_100000068409 [0,0,0,0,0,0|2,0,0]=2 44 B17R2.7396 c1ccc(cc1)CCOC2CCCCCC2 34a_100000210268_100011217769 [0,0,0,0,0,0|1,0,0]=1 45 B17R2.7396 c1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100000765856 [0,0,0,0,0,0|1,0,0]=1 46 B17R2.7396 c1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100000765856 [0,0,0,0,0,0|1,0,0]=1 47 B17R2.7396 c1ccc(cc1)CCSC2CCCCCC2 62a_100000765856_100011217769 [0,0,0,0,0,0|1,0,0]=1 48 B17R2.7396 c1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100011218657 [0,0,0,0,0,0|1,0,0]=1 49 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100015611070 [0,0,0,0,0,0|2,0,0]=2 50 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100015291786 [0,0,0,0,0,0|2,0,0]=2 51 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 2230a_100015324214_200000696569 [0,0,0,0,0,0|2,0,0]=2 52 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 269862a_100015324214_200000763224 [0,0,0,0,0,0|2,0,0]=2 53 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100015611070 [0,0,0,0,0,0|2,0,0]=2 54 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100015291786 [0,0,0,0,0,0|2,0,0]=2 55 B17R2.7396 c1ccc(cc1)CNCC2CCCCCC2 34a_100015324214_200000696569 [0,0,0,0,0,0|2,0,0]=2 56 B17R2.7396 c1ccc(cc1)CNN=C2CCCCCC2 4a_100000007032_100000210131 [0,0,0,0,0,0|1,0,2]=3 57 B17R2.7396 c1ccc(cc1)COCC2CCCCCC2 34a_100000210790_200000696569 [0,0,0,0,0,0|2,0,0]=2 58 B17R2.7396 c1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100015291786 [0,0,0,0,0,0|2,0,0]=2 59 B17R2.7396 c1ccc(cc1)COCC2CCCCCC2 7a_100000210790_200000696569 [0,0,0,0,0,0|2,0,0]=2 60 B17R2.7396 c1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000211182 [0,0,0,0,0,0|2,0,0]=2 61 B17R2.7396 c1ccc(cc1)COCC2CNCCOC2 34a_100103147999_100015291786 [0,0,0,0,0,0|4,0,0]=4 62 B17R2.7396 c1ccc(cc1)COCN2CCCCCC2 2230a_100000185865_100000763385 [0,0,0,0,0,0|3,0,0]=3 63 B17R2.7396 c1ccc(cc1)COCN2CCCCCC2 34a_100000185865_100000763385 [0,0,0,0,0,0|3,0,0]=3 64 B17R2.7396 c1ccc(cc1)COCN2CCCOCC2 2230a_100000685342_100000763385 [0,0,0,0,0,0|4,0,0]=4 65 B17R2.7396 c1ccc(cc1)COCN2CCCOCC2 34a_100000685342_100000763385 [0,0,0,0,0,0|4,0,0]=4 66 B17R2.7396 c1ccc(cc1)CSCC2CCCCCC2 62a_100000211182_200000696569 [0,0,0,0,0,0|2,0,0]=2 67 B17R2.7396 c1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100015291786 [0,0,0,0,0,0|2,0,0]=2 68 B17R2.7396 c1ccc(cc1)CSCN2CCCCCC2 2230a_100000185865_200011217039 [0,0,0,0,0,0|3,0,0]=3 69 B17R2.7396 c1ccc(cc1)CSCN2CCCCCC2 269982a_100000185865_200011217039 [0,0,0,0,0,0|3,0,0]=3 70 B17R2.7396 c1ccc(cc1)CSCN2CCCCCC2 34a_100000185865_200011217039 [0,0,0,0,0,0|3,0,0]=3 71 B17R2.7396 c1ccc(cc1)CSCN2CCCOCC2 2230a_100000685342_200011217039 [0,0,0,0,0,0|4,0,0]=4 72 B17R2.7396 c1ccc(cc1)CSCN2CCCOCC2 269982a_100000685342_200011217039 [0,0,0,0,0,0|4,0,0]=4 73 B17R2.7396 c1ccc(cc1)CSCN2CCCOCC2 34a_100000685342_200011217039 [0,0,0,0,0,0|4,0,0]=4 74 B17R2.7396 c1ccc(cc1)OCCN2CCCCCC2 2230a_100000185865_100000184471 [0,0,0,0,0,0|3,0,0]=3 75 B17R2.7396 c1ccc(cc1)OCCN2CCCCCC2 269982a_100000185865_100000184471 [0,0,0,0,0,0|3,0,0]=3 76 B17R2.7396 c1ccc(cc1)OCCN2CCCCCC2 270004a_100000185865_100000758736 [0,0,0,0,0,0|3,0,0]=3 77 B17R2.7396 c1ccc(cc1)OCCN2CCCCCC2 34a_100000185865_100000184471 [0,0,0,0,0,0|3,0,0]=3 78 B17R2.7396 c1ccc(cc1)OCCN2CCCCCC2 7a_100000210340_100000722644 [0,0,0,0,0,0|3,0,0]=3 79 B17R2.7396 c1ccc(cc1)OCCN2CCCOCC2 2230a_100000685342_100000184471 [0,0,0,0,0,0|4,0,0]=4 80 B17R2.7396 c1ccc(cc1)OCCN2CCCOCC2 269982a_100000685342_100000184471 [0,0,0,0,0,0|4,0,0]=4 81 B17R2.7396 c1ccc(cc1)OCCN2CCCOCC2 270004a_100000685342_100000758736 [0,0,0,0,0,0|4,0,0]=4 82 B17R2.7396 c1ccc(cc1)OCCN2CCCOCC2 34a_100000685342_100000184471 [0,0,0,0,0,0|4,0,0]=4 83 B17R2.7396 c1ccc(cc1)SCCN2CCCCCC2 2230a_100000185865_100000246102 [0,0,0,0,0,0|3,0,0]=3 84 B17R2.7396 c1ccc(cc1)SCCN2CCCCCC2 269982a_100000185865_100000246102 [0,0,0,0,0,0|3,0,0]=3 85 B17R2.7396 c1ccc(cc1)SCCN2CCCCCC2 34a_100000185865_100000246102 [0,0,0,0,0,0|3,0,0]=3 86 B17R2.7396 c1ccc(cc1)SCCN2CCCCCC2 62a_100000719477_100000722644 [0,0,0,0,0,0|3,0,0]=3 87 B17R2.7396 c1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000041952 [0,0,0,0,0,0|3,0,0]=3 88 B17R2.7396 c1ccc(cc1)SCCN2CCCOCC2 2230a_100000685342_100000246102 [0,0,0,0,0,0|4,0,0]=4 89 B17R2.7396 c1ccc(cc1)SCCN2CCCOCC2 269982a_100000685342_100000246102 [0,0,0,0,0,0|4,0,0]=4 90 B17R2.7396 c1ccc(cc1)SCCN2CCCOCC2 34a_100000685342_100000246102 [0,0,0,0,0,0|4,0,0]=4 91 B17R2.7396 c1ccc(cc1)SCNC2CCCCCC2 2230a_100000210984_100011218342 [0,0,0,0,0,0|1,0,0]=1 92 B17R2.7396 c1ccc(cc1)SCSC2CCCCCC2 62a_100011217769_100011218342 [0,0,0,0,0,0|2,0,0]=2 93 B17R2.7396 c1ccc(cc1)SCSC2CCCCCC2 62a_100011218342_100011217769 [0,0,0,0,0,0|2,0,0]=2 94 B17R2.7396 c1ccc(nc1)CCNC2CCCCCC2 2230a_100000210984_100015183660 [0,0,0,0,0,0|1,0,0]=1 95 B17R2.7396 c1ccc(nc1)CCNC2CCCCCC2 270004a_100000211156_100000210131 [0,0,0,0,0,0|1,0,0]=1 96 B17R2.7396 c1ccc(nc1)CCNC2CCCNCC2 270004a_100000211156_100015187895 [0,0,0,0,0,0|2,0,0]=2 97 B17R2.7396 c1ccc(nc1)CCNC2CSCCSC2 270004a_100000211156_100000068409 [0,0,0,0,0,0|3,0,0]=3 98 B17R2.7396 c1ccc(nc1)CCOC2CCCCCC2 34a_100000210271_100011217769 [0,0,0,0,0,0|2,0,0]=2 99 B17R2.7396 c1ccc(nc1)CCOC2CCCCCC2 7a_100000210887_100015183660 [0,0,0,0,0,0|2,0,0]=2 100 B17R2.7396 c1ccc(nc1)CCSC2CCCCCC2 62a_100011217769_100015183660 [0,0,0,0,0,0|2,0,0]=2 101 B17R2.7396 c1ccc(nc1)CCSC2CCCCCC2 62a_100015183660_100011217769 [0,0,0,0,0,0|2,0,0]=2 102 B17R2.7396 c1ccc(nc1)CNCC2CCCCCC2 207a_100015204231_100000209966 [0,0,0,0,0,0|3,0,0]=3 103 B17R2.7396 c1ccc(nc1)CNCC2CCCCCC2 2230a_100015204231_100000721315 [0,0,0,0,0,0|3,0,0]=3 104 B17R2.7396 c1ccc(nc1)CNCC2CCCCCC2 270004a_100015204231_100000209966 [0,0,0,0,0,0|3,0,0]=3 105 B17R2.7396 c1ccc(nc1)CNCC2CCCCCC2 34a_100015204231_100000721315 [0,0,0,0,0,0|3,0,0]=3 106 B17R2.7396 c1ccc(nc1)CNN=C2CCCCCC2 4a_100000736832_100000210131 [0,0,0,0,0,0|2,0,2]=4 107 B17R2.7396 c1ccc(nc1)COCC2CCCCCC2 34a_100000699130_100000721315 [0,0,0,0,0,0|3,0,0]=3 108 B17R2.7396 c1ccc(nc1)COCC2CCCCCC2 7a_100000699130_100000721315 [0,0,0,0,0,0|3,0,0]=3 109 B17R2.7396 c1ccc(nc1)CSCC2CCCCCC2 62a_100000721315_200000696569 [0,0,0,0,0,0|3,0,0]=3 110 B17R2.7396 c1ccc(nc1)CSCC2CCCCCC2 62a_200000696569_100000721315 [0,0,0,0,0,0|3,0,0]=3 111 B17R2.7396 c1ccc(nc1)SCCN2CCCCCC2 62a_100000722644_100011216584 [0,0,0,0,0,0|4,0,0]=4 112 B17R2.7396 c1ccc(nc1)SCCN2CCCCCC2 62a_100011216584_100000722644 [0,0,0,0,0,0|4,0,0]=4 113 B17R2.7396 c1cnc(cn1)CCNC2CCCCCC2 270004a_100000723456_100000210131 [0,0,0,0,0,0|2,0,0]=2 114 B17R2.7396 c1cnc(cn1)CCNC2CCCNCC2 270004a_100000723456_100015187895 [0,0,0,0,0,0|3,0,0]=3 115 B17R2.7396 c1cnc(cn1)CCNC2CSCCSC2 270004a_100000723456_100000068409 [0,0,0,0,0,0|4,0,0]=4 116 B17R2.7396 c1cnc(cn1)CCOC2CCCCCC2 34a_100011349526_100011217769 [0,0,0,0,0,0|3,0,0]=3 117 B17R2.7396 c1cnc(cn1)CNCC2CCCCCC2 2230a_100015204231_100016995436 [0,0,0,0,0,0|4,0,0]=4 118 B17R2.7396 c1cnc(cn1)CNCC2CCCCCC2 270004a_100015204231_100000749867 [0,0,0,0,0,0|4,0,0]=4 119 B17R2.7396 c1cnc(cn1)CNCC2CCCCCC2 34a_100015204231_100016995436 [0,0,0,0,0,0|4,0,0]=4 120 B17R2.7396 c1cnc(cn1)COCC2CCCCCC2 34a_100000699130_100016995436 [0,0,0,0,0,0|4,0,0]=4 121 B17R2.7396 c1cnc(cn1)COCC2CCCCCC2 7a_100000699130_100016995436 [0,0,0,0,0,0|4,0,0]=4 122 B17R2.7396 c1cnc(cn1)CSCC2CCCCCC2 62a_100016995436_200000696569 [0,0,0,0,0,0|4,0,0]=4 123 B17R2.7396 c1cnc(cn1)CSCC2CCCCCC2 62a_200000696569_100016995436 [0,0,0,0,0,0|4,0,0]=4 124 B17R2.7396 c1cnc(cn1)NCCC2CCCCCC2 27a_100011532351_100000211759 [0,0,0,0,0,0|4,0,0]=4 125 B17R2.7396 c1cnc(nc1)CNCC2CCCCCC2 2230a_100015204231_100000703007 [0,0,0,0,0,0|4,0,0]=4 126 B17R2.7396 c1cnc(nc1)CNCC2CCCCCC2 270004a_100015204231_100011532527 [0,0,0,0,0,0|4,0,0]=4 127 B17R2.7396 c1cnc(nc1)CNCC2CCCCCC2 34a_100015204231_100000703007 [0,0,0,0,0,0|4,0,0]=4 128 B17R2.7396 c1cnc(nc1)COCC2CCCCCC2 34a_100000699130_100000703007 [0,0,0,0,0,0|4,0,0]=4 129 B17R2.7396 c1cnc(nc1)COCC2CCCCCC2 7a_100000699130_100000703007 [0,0,0,0,0,0|4,0,0]=4 130 B17R2.7396 c1cnc(nc1)CSCC2CCCCCC2 62a_100000703007_200000696569 [0,0,0,0,0,0|4,0,0]=4 131 B17R2.7396 c1cnc(nc1)CSCC2CCCCCC2 62a_200000696569_100000703007 [0,0,0,0,0,0|4,0,0]=4 132 B17R2.7396 c1cnc(nc1)NCCC2CCCCCC2 27a_100011532351_100000211032 [0,0,0,0,0,0|4,0,0]=4 133 B17R2.7396 c1cncc(c1)CCNC2CCCCCC2 2230a_100000210984_200011713674 [0,0,0,0,0,0|1,0,0]=1 134 B17R2.7396 c1cncc(c1)CCNC2CCCCCC2 270004a_100000736294_100000210131 [0,0,0,0,0,0|1,0,0]=1 135 B17R2.7396 c1cncc(c1)CCNC2CCCNCC2 270004a_100000736294_100015187895 [0,0,0,0,0,0|2,0,0]=2 136 B17R2.7396 c1cncc(c1)CCNC2CSCCSC2 270004a_100000736294_100000068409 [0,0,0,0,0,0|3,0,0]=3 137 B17R2.7396 c1cncc(c1)CCOC2CCCCCC2 34a_100011217484_100011217769 [0,0,0,0,0,0|2,0,0]=2 138 B17R2.7396 c1cncc(c1)CCOC2CCCCCC2 7a_100000210887_200011713674 [0,0,0,0,0,0|2,0,0]=2 139 B17R2.7396 c1cncc(c1)CCSC2CCCCCC2 62a_100011217769_200011713674 [0,0,0,0,0,0|2,0,0]=2 140 B17R2.7396 c1cncc(c1)CCSC2CCCCCC2 62a_200011713674_100011217769 [0,0,0,0,0,0|2,0,0]=2 141 B17R2.7396 c1cncc(c1)CNCC2CCCCCC2 207a_100015204231_100000209961 [0,0,0,0,0,0|3,0,0]=3 142 B17R2.7396 c1cncc(c1)CNCC2CCCCCC2 2230a_100015204231_100000741622 [0,0,0,0,0,0|3,0,0]=3 143 B17R2.7396 c1cncc(c1)CNCC2CCCCCC2 269862a_100000210453_200000763224 [0,0,0,0,0,0|3,0,0]=3 144 B17R2.7396 c1cncc(c1)CNCC2CCCCCC2 270004a_100015204231_100000209961 [0,0,0,0,0,0|3,0,0]=3 145 B17R2.7396 c1cncc(c1)CNCC2CCCCCC2 34a_100015204231_100000733263 [0,0,0,0,0,0|3,0,0]=3 146 B17R2.7396 c1cncc(c1)CNN=C2CCCCCC2 4a_100000738295_100000210131 [0,0,0,0,0,0|2,0,2]=4 147 B17R2.7396 c1cncc(c1)COCC2CCCCCC2 34a_100000699130_100000733263 [0,0,0,0,0,0|3,0,0]=3 148 B17R2.7396 c1cncc(c1)COCC2CCCCCC2 7a_100000699130_100000741622 [0,0,0,0,0,0|3,0,0]=3 149 B17R2.7396 c1cncc(c1)CSCC2CCCCCC2 62a_100000741622_200000696569 [0,0,0,0,0,0|3,0,0]=3 150 B17R2.7396 c1cncc(c1)CSCC2CCCCCC2 62a_200000696569_100000741622 [0,0,0,0,0,0|3,0,0]=3 151 B17R2.7396 c1cncc(c1)OCCN2CCCCCC2 7a_100000210849_100000722644 [0,0,0,0,0,0|4,0,0]=4 152 B17R2.7396 c1cncc(c1)SCCN2CCCCCC2 62a_100000210063_100000722644 [0,0,0,0,0,0|4,0,0]=4 153 B17R2.7396 c1cncc(c1)SCCN2CCCCCC2 62a_100000722644_100000210063 [0,0,0,0,0,0|4,0,0]=4 154 B17R2.7396 c1cnnc(c1)CNCC2CCCCCC2 2230a_100015204231_100016990269 [0,0,0,0,0,0|4,0,0]=4 155 B17R2.7396 c1cnnc(c1)CNCC2CCCCCC2 2230a_100159270163_200000696569 [0,0,0,0,0,0|4,0,0]=4 156 B17R2.7396 c1cnnc(c1)CNCC2CCCCCC2 269862a_100159270163_200000763224 [0,0,0,0,0,0|4,0,0]=4 157 B17R2.7396 c1cnnc(c1)CNCC2CCCCCC2 34a_100015204231_100016990269 [0,0,0,0,0,0|4,0,0]=4 158 B17R2.7396 c1cnnc(c1)COCC2CCCCCC2 34a_100000699130_100016990269 [0,0,0,0,0,0|4,0,0]=4 159 B17R2.7396 c1cnnc(c1)COCC2CCCCCC2 7a_100000699130_100016990269 [0,0,0,0,0,0|4,0,0]=4 160 B17R2.7396 c1cnnc(c1)CSCC2CCCCCC2 62a_100016990269_200000696569 [0,0,0,0,0,0|4,0,0]=4 161 B17R2.7396 c1cnnc(c1)CSCC2CCCCCC2 62a_200000696569_100016990269 [0,0,0,0,0,0|4,0,0]=4 162 B17R2.7396 c1cnnc(c1)NCCC2CCCCCC2 27a_100011532351_100016991348 [0,0,0,0,0,0|4,0,0]=4 163 B17R2.7396 c1ncc(cn1)CCOC2CCCCCC2 34a_100011709255_100011217769 [0,0,0,0,0,0|3,0,0]=3 164 B17R2.7396 c1ncc(cn1)CNCC2CCCCCC2 2230a_100011243677_200000696569 [0,0,0,0,0,0|4,0,0]=4 165 B17R2.7396 c1ncc(cn1)CNCC2CCCCCC2 2230a_100015204231_100015196519 [0,0,0,0,0,0|4,0,0]=4 166 B17R2.7396 c1ncc(cn1)CNCC2CCCCCC2 269862a_100011243677_200000763224 [0,0,0,0,0,0|4,0,0]=4 167 B17R2.7396 c1ncc(cn1)CNCC2CCCCCC2 270004a_100015204231_100000749868 [0,0,0,0,0,0|4,0,0]=4 168 B17R2.7396 c1ncc(cn1)CNCC2CCCCCC2 34a_100015204231_100015196519 [0,0,0,0,0,0|4,0,0]=4 169 B17R2.7396 c1ncc(cn1)COCC2CCCCCC2 34a_100000699130_100015196519 [0,0,0,0,0,0|4,0,0]=4 170 B17R2.7396 c1ncc(cn1)COCC2CCCCCC2 7a_100000699130_100015196519 [0,0,0,0,0,0|4,0,0]=4 171 B17R2.7396 c1ncc(cn1)CSCC2CCCCCC2 62a_100015196519_200000696569 [0,0,0,0,0,0|4,0,0]=4 172 B17R2.7396 c1ncc(cn1)CSCC2CCCCCC2 62a_200000696569_100015196519 [0,0,0,0,0,0|4,0,0]=4 173 B18R2.4796 O=C1CCCCCC1OCCc2ccccc2 7a_100000210268_100000243696 [0,1,0,0,0,0|1,0,1]=3 174 B18R2.4796 O=C1CCCCCC1SCCc2ccccc2 62a_100000243696_100011218657 [0,1,0,0,0,0|1,0,1]=3 175 B18R2.4796 O=C1CCCCCC1SCCc2ccccc2 62a_100000765856_100000243696 [0,1,0,0,0,0|1,0,1]=3 176 B18R2.4796 O=C1CCCCCC1SCCc2ccccn2 62a_100000243696_100015183660 [0,1,0,0,0,0|2,0,1]=4 177 B18R2.4796 O=C1CCCCCC1SCCc2ccccn2 62a_100015183660_100000243696 [0,1,0,0,0,0|2,0,1]=4 178 B18R2.4796 O=C1CCCCCC1SCCc2cccnc2 62a_100000243696_200011713674 [0,1,0,0,0,0|2,0,1]=4 179 B18R2.4796 O=C1CCCCCC1SCCc2cccnc2 62a_200011713674_100000243696 [0,1,0,0,0,0|2,0,1]=4 180 B18R2.4796 O=C1CCCCCC1SCCc2ccncc2 62a_100000243696_100000723409 [0,1,0,0,0,0|2,0,1]=4 181 B18R2.4796 O=C1CCCCCC1SCCc2ccncc2 62a_100000723409_100000243696 [0,1,0,0,0,0|2,0,1]=4 182 B18R2.4796 O=C1CCCCCC1SCSc2ccccc2 62a_100000243696_100011218342 [0,1,0,0,0,0|2,0,1]=4 183 B18R2.4796 O=C1CCCCCC1SCSc2ccccc2 62a_100011218342_100000243696 [0,1,0,0,0,0|2,0,1]=4 184 B18R2.4796 O=C1NCCCCC1NCCc2ccccc2 2230a_100000106460_100000735217 [0,1,0,0,0,0|1,0,1]=3 185 B18R2.4796 O=C1NCCCCC1NCCc2ccccc2 2230a_100000698827_100000765856 [0,1,0,0,0,0|1,0,1]=3 186 B18R2.4796 O=C1NCCCCC1NCCc2ccccc2 34a_100000698827_100000765856 [0,1,0,0,0,0|1,0,1]=3 187 B18R2.4796 O=C1NCCCCC1NCCc2ccccn2 2230a_100000698827_100015183660 [0,1,0,0,0,0|2,0,1]=4 188 B18R2.4796 O=C1NCCCCC1NCCc2cccnc2 2230a_100000698827_200011713674 [0,1,0,0,0,0|2,0,1]=4 189 B18R2.4796 O=C1NCCCCC1NCCc2cccnc2 2230a_100000736294_100000735217 [0,1,0,0,0,0|2,0,1]=4 190 B18R2.4796 O=C1NCCCCC1NCCc2ccncc2 2230a_100000698827_100000723409 [0,1,0,0,0,0|2,0,1]=4 191 B18R2.4796 O=C1NCCCCC1NCSc2ccccc2 2230a_100000698827_100011218342 [0,1,0,0,0,0|2,0,1]=4 192 B18R2.4796 O=C1NCCCCC1OCCc2ccccc2 7a_100000210268_100000735217 [0,1,0,0,0,0|2,0,1]=4 193 B18R2.4796 O=C1NCCCCC1SCCc2ccccc2 62a_100000735217_100011218657 [0,1,0,0,0,0|2,0,1]=4 194 B18R2.4796 O=C1NCCCCC1SCCc2ccccc2 62a_100000765856_100000735217 [0,1,0,0,0,0|2,0,1]=4 195 B18R2.31194 Brc1cc(ccn1)CNCC2CCCCCC2 2230a_100015204231_100010243470 [0,1,0,0,0,0|3,0,0]=4 196 B18R2.31194 Brc1cc(ccn1)CNCC2CCCCCC2 2230a_100025757509_200000696569 [0,1,0,0,0,0|3,0,0]=4 197 B18R2.31194 Brc1cc(ccn1)CNCC2CCCCCC2 269862a_100025757509_200000763224 [0,1,0,0,0,0|3,0,0]=4 198 B18R2.31194 Brc1cc(ccn1)CNCC2CCCCCC2 270004a_100015204231_100009814634 [0,1,0,0,0,0|3,0,0]=4 199 B18R2.31194 Brc1cc(ccn1)CNCC2CCCCCC2 34a_100015204231_100010243470 [0,1,0,0,0,0|3,0,0]=4 200 B18R2.31194 Brc1cc(ccn1)CNCC2CCCCCC2 34a_100025757509_200000696569 [0,1,0,0,0,0|3,0,0]=4 201 B18R2.31194 Brc1cc(ccn1)COCC2CCCCCC2 34a_100000699130_100010243470 [0,1,0,0,0,0|3,0,0]=4 202 B18R2.31194 Brc1cc(ccn1)COCC2CCCCCC2 34a_100009814636_200000696569 [0,1,0,0,0,0|3,0,0]=4 203 B18R2.31194 Brc1cc(ccn1)COCC2CCCCCC2 7a_100000699130_100010254460 [0,1,0,0,0,0|3,0,0]=4 204 B18R2.31194 Brc1cc(ccn1)COCC2CCCCCC2 7a_100009814636_200000696569 [0,1,0,0,0,0|3,0,0]=4 205 B18R2.31194 Brc1cc(ccn1)CSCC2CCCCCC2 62a_100010254460_200000696569 [0,1,0,0,0,0|3,0,0]=4 206 B18R2.31194 Brc1cc(ccn1)CSCC2CCCCCC2 62a_200000696569_100010243470 [0,1,0,0,0,0|3,0,0]=4 207 B18R2.31194 Brc1cccc(c1)CCCN2CCCCCC2 2230a_100000185865_100011713683 [0,1,0,0,0,0|2,0,0]=3 208 B18R2.31194 Brc1cccc(c1)CCCN2CCCCCC2 269982a_100000185865_100011713683 [0,1,0,0,0,0|2,0,0]=3 209 B18R2.31194 Brc1cccc(c1)CCCN2CCCCCC2 34a_100000185865_100011713683 [0,1,0,0,0,0|2,0,0]=3 210 B18R2.31194 Brc1cccc(c1)CCCN2CCCOCC2 2230a_100000685342_100011713683 [0,1,0,0,0,0|3,0,0]=4 211 B18R2.31194 Brc1cccc(c1)CCCN2CCCOCC2 269982a_100000685342_100011713683 [0,1,0,0,0,0|3,0,0]=4 212 B18R2.31194 Brc1cccc(c1)CCCN2CCCOCC2 34a_100000685342_100011713683 [0,1,0,0,0,0|3,0,0]=4 213 B18R2.31194 Brc1cccc(c1)CCNC2CCCCCC2 2230a_100000210984_100011740638 [0,1,0,0,0,0|0,0,0]=1 214 B18R2.31194 Brc1cccc(c1)CCNC2CCCCCC2 270004a_100011207229_100000210131 [0,1,0,0,0,0|0,0,0]=1 215 B18R2.31194 Brc1cccc(c1)CCNC2CCCCCC2 34a_100000210984_100011740638 [0,1,0,0,0,0|0,0,0]=1 216 B18R2.31194 Brc1cccc(c1)CCNC2CCCCCC2 34a_100011207229_100011217769 [0,1,0,0,0,0|0,0,0]=1 217 B18R2.31194 Brc1cccc(c1)CCNC2CCCNCC2 270004a_100011207229_100015187895 [0,1,0,0,0,0|1,0,0]=2 218 B18R2.31194 Brc1cccc(c1)CCNC2CSCCSC2 270004a_100011207229_100000068409 [0,1,0,0,0,0|2,0,0]=3 219 B18R2.31194 Brc1cccc(c1)CCOC2CCCCCC2 34a_100000210887_100011740638 [0,1,0,0,0,0|1,0,0]=2 220 B18R2.31194 Brc1cccc(c1)CCOC2CCCCCC2 34a_100011217444_100011217769 [0,1,0,0,0,0|1,0,0]=2 221 B18R2.31194 Brc1cccc(c1)CCOC2CCCCCC2 7a_100000210887_100011740638 [0,1,0,0,0,0|1,0,0]=2 222 B18R2.31194 Brc1cccc(c1)CCSC2CCCCCC2 62a_100011217769_100011740638 [0,1,0,0,0,0|1,0,0]=2 223 B18R2.31194 Brc1cccc(c1)CCSC2CCCCCC2 62a_100011740638_100011217769 [0,1,0,0,0,0|1,0,0]=2 224 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000210085 [0,1,0,0,0,0|2,0,0]=3 225 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 2230a_100000174977_200000696569 [0,1,0,0,0,0|2,0,0]=3 226 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100000698116 [0,1,0,0,0,0|2,0,0]=3 227 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 269862a_100000174977_200000763224 [0,1,0,0,0,0|2,0,0]=3 228 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000210085 [0,1,0,0,0,0|2,0,0]=3 229 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 34a_100000174977_200000696569 [0,1,0,0,0,0|2,0,0]=3 230 B18R2.31194 Brc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100000698116 [0,1,0,0,0,0|2,0,0]=3 231 B18R2.31194 Brc1cccc(c1)CNN=C2CCCCCC2 4a_100000686200_100000210131 [0,1,0,0,0,0|1,0,2]=4 232 B18R2.31194 Brc1cccc(c1)COCC2CCCCCC2 34a_100000687537_200000696569 [0,1,0,0,0,0|2,0,0]=3 233 B18R2.31194 Brc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100000698116 [0,1,0,0,0,0|2,0,0]=3 234 B18R2.31194 Brc1cccc(c1)COCC2CCCCCC2 7a_100000687537_200000696569 [0,1,0,0,0,0|2,0,0]=3 235 B18R2.31194 Brc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000211773 [0,1,0,0,0,0|2,0,0]=3 236 B18R2.31194 Brc1cccc(c1)CSCC2CCCCCC2 62a_100000211773_200000696569 [0,1,0,0,0,0|2,0,0]=3 237 B18R2.31194 Brc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100000211773 [0,1,0,0,0,0|2,0,0]=3 238 B18R2.31194 Brc1cccc(c1)NN=CC2CCCCCC2 4a_100000217339_200000763224 [0,1,0,0,0,0|3,0,0]=4 239 B18R2.31194 Brc1cccc(c1)OCCN2CCCCCC2 2230a_100000185865_100000183150 [0,1,0,0,0,0|3,0,0]=4 240 B18R2.31194 Brc1cccc(c1)OCCN2CCCCCC2 269982a_100000185865_100000183150 [0,1,0,0,0,0|3,0,0]=4 241 B18R2.31194 Brc1cccc(c1)OCCN2CCCCCC2 34a_100000185865_100000183150 [0,1,0,0,0,0|3,0,0]=4 242 B18R2.31194 Brc1cccc(c1)OCCN2CCCCCC2 7a_100000210342_100000722644 [0,1,0,0,0,0|3,0,0]=4 243 B18R2.31194 Brc1cccc(c1)SCCN2CCCCCC2 62a_100000691529_100000722644 [0,1,0,0,0,0|3,0,0]=4 244 B18R2.31194 Brc1cccc(c1)SCCN2CCCCCC2 62a_100000722644_100000691529 [0,1,0,0,0,0|3,0,0]=4 245 B18R2.31194 Brc1cccc(n1)CCOC2CCCCCC2 34a_100010221043_100011217769 [0,1,0,0,0,0|2,0,0]=3 246 B18R2.31194 Brc1cccc(n1)CNCC2CCCCCC2 2230a_100015204231_100009889011 [0,1,0,0,0,0|3,0,0]=4 247 B18R2.31194 Brc1cccc(n1)CNCC2CCCCCC2 2230a_100016987751_200000696569 [0,1,0,0,0,0|3,0,0]=4 248 B18R2.31194 Brc1cccc(n1)CNCC2CCCCCC2 270004a_100015204231_100000688028 [0,1,0,0,0,0|3,0,0]=4 249 B18R2.31194 Brc1cccc(n1)CNCC2CCCCCC2 34a_100015204231_100009889011 [0,1,0,0,0,0|3,0,0]=4 250 B18R2.31194 Brc1cccc(n1)COCC2CCCCCC2 34a_100000694195_200000696569 [0,1,0,0,0,0|3,0,0]=4 251 B18R2.31194 Brc1cccc(n1)COCC2CCCCCC2 34a_100000699130_100009889011 [0,1,0,0,0,0|3,0,0]=4 252 B18R2.31194 Brc1cccc(n1)COCC2CCCCCC2 7a_100000699130_100009889011 [0,1,0,0,0,0|3,0,0]=4 253 B18R2.31194 Brc1cccc(n1)CSCC2CCCCCC2 62a_100009889011_200000696569 [0,1,0,0,0,0|3,0,0]=4 254 B18R2.31194 Brc1cccc(n1)CSCC2CCCCCC2 62a_200000696569_100009889011 [0,1,0,0,0,0|3,0,0]=4 255 B18R2.31194 Brc1ccnc(c1)CNCC2CCCCCC2 2230a_100015204231_100010173614 [0,1,0,0,0,0|3,0,0]=4 256 B18R2.31194 Brc1ccnc(c1)CNCC2CCCCCC2 270004a_100015204231_100009818557 [0,1,0,0,0,0|3,0,0]=4 257 B18R2.31194 Brc1ccnc(c1)CNCC2CCCCCC2 34a_100015204231_100010173614 [0,1,0,0,0,0|3,0,0]=4 258 B18R2.31194 Brc1ccnc(c1)COCC2CCCCCC2 34a_100000699130_100010173614 [0,1,0,0,0,0|3,0,0]=4 259 B18R2.31194 Brc1ccnc(c1)COCC2CCCCCC2 7a_100000699130_100010173614 [0,1,0,0,0,0|3,0,0]=4 260 B18R2.31194 Brc1ccnc(c1)CSCC2CCCCCC2 62a_100010173614_200000696569 [0,1,0,0,0,0|3,0,0]=4 261 B18R2.31194 Brc1ccnc(c1)CSCC2CCCCCC2 62a_200000696569_100010173614 [0,1,0,0,0,0|3,0,0]=4 262 B18R2.31194 Brc1cncc(c1)CNCC2CCCCCC2 207a_100015204231_100000687066 [0,1,0,0,0,0|3,0,0]=4 263 B18R2.31194 Brc1cncc(c1)CNCC2CCCCCC2 2230a_100015204231_100000738771 [0,1,0,0,0,0|3,0,0]=4 264 B18R2.31194 Brc1cncc(c1)CNCC2CCCCCC2 269862a_100011249555_200000763224 [0,1,0,0,0,0|3,0,0]=4 265 B18R2.31194 Brc1cncc(c1)CNCC2CCCCCC2 270004a_100015204231_100000687066 [0,1,0,0,0,0|3,0,0]=4 266 B18R2.31194 Brc1cncc(c1)CNCC2CCCCCC2 34a_100015204231_100000738771 [0,1,0,0,0,0|3,0,0]=4 267 B18R2.31194 Brc1cncc(c1)COCC2CCCCCC2 34a_100000699130_100000738771 [0,1,0,0,0,0|3,0,0]=4 268 B18R2.31194 Brc1cncc(c1)COCC2CCCCCC2 34a_100011259137_200000696569 [0,1,0,0,0,0|3,0,0]=4 269 B18R2.31194 Brc1cncc(c1)COCC2CCCCCC2 7a_100000699130_100000738771 [0,1,0,0,0,0|3,0,0]=4 270 B18R2.31194 Brc1cncc(c1)COCC2CCCCCC2 7a_100011259137_200000696569 [0,1,0,0,0,0|3,0,0]=4 271 B18R2.31194 Brc1cncc(c1)CSCC2CCCCCC2 62a_100000738771_200000696569 [0,1,0,0,0,0|3,0,0]=4 272 B18R2.31194 Brc1cncc(c1)CSCC2CCCCCC2 62a_200000696569_100000738771 [0,1,0,0,0,0|3,0,0]=4 273 B18R2.31194 Cc1cc(ccn1)CNCC2CCCCCC2 207a_100015204231_100011361630 [0,1,0,0,0,0|3,0,0]=4 274 B18R2.31194 Cc1cc(ccn1)CNCC2CCCCCC2 2230a_100015204231_200020672517 [0,1,0,0,0,0|3,0,0]=4 275 B18R2.31194 Cc1cc(ccn1)CNCC2CCCCCC2 269862a_100011934566_200000763224 [0,1,0,0,0,0|3,0,0]=4 276 B18R2.31194 Cc1cc(ccn1)CNCC2CCCCCC2 270004a_100015204231_100011361630 [0,1,0,0,0,0|3,0,0]=4 277 B18R2.31194 Cc1cc(ccn1)CNCC2CCCCCC2 34a_100011934566_200000696569 [0,1,0,0,0,0|3,0,0]=4 278 B18R2.31194 Cc1cc(ccn1)CNCC2CCCCCC2 34a_100015204231_200020672517 [0,1,0,0,0,0|3,0,0]=4 279 B18R2.31194 Cc1cc(ccn1)COCC2CCCCCC2 34a_100000699130_200020672517 [0,1,0,0,0,0|3,0,0]=4 280 B18R2.31194 Cc1cc(ccn1)COCC2CCCCCC2 34a_100011998630_200000696569 [0,1,0,0,0,0|3,0,0]=4 281 B18R2.31194 Cc1cc(ccn1)COCC2CCCCCC2 7a_100000699130_200020672517 [0,1,0,0,0,0|3,0,0]=4 282 B18R2.31194 Cc1cc(ccn1)CSCC2CCCCCC2 62a_200000696569_200020672517 [0,1,0,0,0,0|3,0,0]=4 283 B18R2.31194 Cc1cc(ccn1)CSCC2CCCCCC2 62a_200020672517_200000696569 [0,1,0,0,0,0|3,0,0]=4 284 B18R2.31194 Cc1cc(ccn1)NCCC2CCCCCC2 27a_100011532351_100000758586 [0,1,0,0,0,0|3,0,0]=4 285 B18R2.31194 Cc1cccc(c1)CCNC2CCCCCC2 2230a_100000210984_100011713685 [0,1,0,0,0,0|0,0,0]=1 286 B18R2.31194 Cc1cccc(c1)CCNC2CCCCCC2 270004a_100000749837_100000210131 [0,1,0,0,0,0|0,0,0]=1 287 B18R2.31194 Cc1cccc(c1)CCNC2CCCCCC2 34a_100000210984_100011713685 [0,1,0,0,0,0|0,0,0]=1 288 B18R2.31194 Cc1cccc(c1)CCNC2CCCCCC2 34a_100000749837_100011217769 [0,1,0,0,0,0|0,0,0]=1 289 B18R2.31194 Cc1cccc(c1)CCNC2CCCNCC2 270004a_100000749837_100015187895 [0,1,0,0,0,0|1,0,0]=2 290 B18R2.31194 Cc1cccc(c1)CCNC2CSCCSC2 270004a_100000749837_100000068409 [0,1,0,0,0,0|2,0,0]=3 291 B18R2.31194 Cc1cccc(c1)CCOC2CCCCCC2 34a_100000210887_100011713685 [0,1,0,0,0,0|1,0,0]=2 292 B18R2.31194 Cc1cccc(c1)CCOC2CCCCCC2 34a_100011217157_100011217769 [0,1,0,0,0,0|1,0,0]=2 293 B18R2.31194 Cc1cccc(c1)CCOC2CCCCCC2 7a_100000210887_100011713685 [0,1,0,0,0,0|1,0,0]=2 294 B18R2.31194 Cc1cccc(c1)CCSC2CCCCCC2 62a_100011217769_100011713685 [0,1,0,0,0,0|1,0,0]=2 295 B18R2.31194 Cc1cccc(c1)CCSC2CCCCCC2 62a_100011713685_100011217769 [0,1,0,0,0,0|1,0,0]=2 296 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000211157 [0,1,0,0,0,0|2,0,0]=3 297 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 2230a_100000185548_200000696569 [0,1,0,0,0,0|2,0,0]=3 298 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100000211840 [0,1,0,0,0,0|2,0,0]=3 299 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 269862a_100000185548_200000763224 [0,1,0,0,0,0|2,0,0]=3 300 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000211157 [0,1,0,0,0,0|2,0,0]=3 301 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 34a_100000185548_200000696569 [0,1,0,0,0,0|2,0,0]=3 302 B18R2.31194 Cc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100000211840 [0,1,0,0,0,0|2,0,0]=3 303 B18R2.31194 Cc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100000211840 [0,1,0,0,0,0|2,0,0]=3 304 B18R2.31194 Cc1cccc(c1)COCC2CCCCCC2 34a_100011217746_200000696569 [0,1,0,0,0,0|2,0,0]=3 305 B18R2.31194 Cc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000211840 [0,1,0,0,0,0|2,0,0]=3 306 B18R2.31194 Cc1cccc(c1)COCC2CCCCCC2 7a_100011217746_200000696569 [0,1,0,0,0,0|2,0,0]=3 307 B18R2.31194 Cc1cccc(c1)CSCC2CCCCCC2 62a_100000211840_200000696569 [0,1,0,0,0,0|2,0,0]=3 308 B18R2.31194 Cc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100000211840 [0,1,0,0,0,0|2,0,0]=3 309 B18R2.31194 Cc1cccc(c1)NN=CC2CCCCCC2 4a_100000681630_200000763224 [0,1,0,0,0,0|3,0,0]=4 310 B18R2.31194 Cc1cccc(c1)OCCN2CCCCCC2 7a_100000210337_100000722644 [0,1,0,0,0,0|3,0,0]=4 311 B18R2.31194 Cc1cccc(c1)SCCN2CCCCCC2 62a_100000722644_100011215228 [0,1,0,0,0,0|3,0,0]=4 312 B18R2.31194 Cc1cccc(c1)SCCN2CCCCCC2 62a_100011215228_100000722644 [0,1,0,0,0,0|3,0,0]=4 313 B18R2.31194 Cc1cccc(n1)CCNC2CCCCCC2 270004a_100011824523_100000210131 [0,1,0,0,0,0|1,0,0]=2 314 B18R2.31194 Cc1cccc(n1)CCNC2CCCCCC2 34a_100011824523_100011217769 [0,1,0,0,0,0|1,0,0]=2 315 B18R2.31194 Cc1cccc(n1)CCNC2CCCNCC2 270004a_100011824523_100015187895 [0,1,0,0,0,0|2,0,0]=3 316 B18R2.31194 Cc1cccc(n1)CCNC2CSCCSC2 270004a_100011824523_100000068409 [0,1,0,0,0,0|3,0,0]=4 317 B18R2.31194 Cc1cccc(n1)CNCC2CCCCCC2 207a_100015204231_100011215050 [0,1,0,0,0,0|3,0,0]=4 318 B18R2.31194 Cc1cccc(n1)CNCC2CCCCCC2 2230a_100015204231_100000757606 [0,1,0,0,0,0|3,0,0]=4 319 B18R2.31194 Cc1cccc(n1)CNCC2CCCCCC2 270004a_100015204231_100011215050 [0,1,0,0,0,0|3,0,0]=4 320 B18R2.31194 Cc1cccc(n1)CNCC2CCCCCC2 34a_100000701342_200000696569 [0,1,0,0,0,0|3,0,0]=4 321 B18R2.31194 Cc1cccc(n1)CNCC2CCCCCC2 34a_100015204231_100000757606 [0,1,0,0,0,0|3,0,0]=4 322 B18R2.31194 Cc1cccc(n1)COCC2CCCCCC2 34a_100000690600_200000696569 [0,1,0,0,0,0|3,0,0]=4 323 B18R2.31194 Cc1cccc(n1)COCC2CCCCCC2 34a_100000699130_100000757606 [0,1,0,0,0,0|3,0,0]=4 324 B18R2.31194 Cc1cccc(n1)COCC2CCCCCC2 7a_100000699130_100000757606 [0,1,0,0,0,0|3,0,0]=4 325 B18R2.31194 Cc1cccc(n1)CSCC2CCCCCC2 62a_100000757606_200000696569 [0,1,0,0,0,0|3,0,0]=4 326 B18R2.31194 Cc1cccc(n1)CSCC2CCCCCC2 62a_200000696569_100000757606 [0,1,0,0,0,0|3,0,0]=4 327 B18R2.31194 Cc1ccnc(c1)CNCC2CCCCCC2 207a_100015204231_100011361488 [0,1,0,0,0,0|3,0,0]=4 328 B18R2.31194 Cc1ccnc(c1)CNCC2CCCCCC2 2230a_100015204231_100000718516 [0,1,0,0,0,0|3,0,0]=4 329 B18R2.31194 Cc1ccnc(c1)CNCC2CCCCCC2 270004a_100015204231_100011361488 [0,1,0,0,0,0|3,0,0]=4 330 B18R2.31194 Cc1ccnc(c1)CNCC2CCCCCC2 34a_100015204231_100000718516 [0,1,0,0,0,0|3,0,0]=4 331 B18R2.31194 Cc1ccnc(c1)COCC2CCCCCC2 34a_100000699130_100000718516 [0,1,0,0,0,0|3,0,0]=4 332 B18R2.31194 Cc1ccnc(c1)COCC2CCCCCC2 34a_100011998357_200000696569 [0,1,0,0,0,0|3,0,0]=4 333 B18R2.31194 Cc1ccnc(c1)COCC2CCCCCC2 7a_100000699130_100000718516 [0,1,0,0,0,0|3,0,0]=4 334 B18R2.31194 Cc1ccnc(c1)CSCC2CCCCCC2 62a_100000718516_200000696569 [0,1,0,0,0,0|3,0,0]=4 335 B18R2.31194 Cc1ccnc(c1)CSCC2CCCCCC2 62a_200000696569_100000718516 [0,1,0,0,0,0|3,0,0]=4 336 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 207a_100015204231_100011998712 [0,1,0,0,0,0|3,0,0]=4 337 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 2230a_100000692839_200000696569 [0,1,0,0,0,0|3,0,0]=4 338 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 2230a_100015204231_100000716715 [0,1,0,0,0,0|3,0,0]=4 339 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 269862a_100000692839_200000763224 [0,1,0,0,0,0|3,0,0]=4 340 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 270004a_100015204231_100011998712 [0,1,0,0,0,0|3,0,0]=4 341 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 34a_100000692839_200000696569 [0,1,0,0,0,0|3,0,0]=4 342 B18R2.31194 Cc1cncc(c1)CNCC2CCCCCC2 34a_100015204231_100000716715 [0,1,0,0,0,0|3,0,0]=4 343 B18R2.31194 Cc1cncc(c1)COCC2CCCCCC2 34a_100000699130_100000716715 [0,1,0,0,0,0|3,0,0]=4 344 B18R2.31194 Cc1cncc(c1)COCC2CCCCCC2 34a_100011998709_200000696569 [0,1,0,0,0,0|3,0,0]=4 345 B18R2.31194 Cc1cncc(c1)COCC2CCCCCC2 7a_100000699130_100000716715 [0,1,0,0,0,0|3,0,0]=4 346 B18R2.31194 Cc1cncc(c1)COCC2CCCCCC2 7a_100011998709_200000696569 [0,1,0,0,0,0|3,0,0]=4 347 B18R2.31194 Cc1cncc(c1)CSCC2CCCCCC2 62a_100000716715_200000696569 [0,1,0,0,0,0|3,0,0]=4 348 B18R2.31194 Cc1cncc(c1)CSCC2CCCCCC2 62a_200000696569_100000716715 [0,1,0,0,0,0|3,0,0]=4 349 B18R2.31194 Clc1cc(ccn1)CNCC2CCCCCC2 2230a_100015204231_100000764220 [0,1,0,0,0,0|3,0,0]=4 350 B18R2.31194 Clc1cc(ccn1)CNCC2CCCCCC2 2230a_100015205668_200000696569 [0,1,0,0,0,0|3,0,0]=4 351 B18R2.31194 Clc1cc(ccn1)CNCC2CCCCCC2 269862a_100015205668_200000763224 [0,1,0,0,0,0|3,0,0]=4 352 B18R2.31194 Clc1cc(ccn1)CNCC2CCCCCC2 270004a_100015204231_100011290808 [0,1,0,0,0,0|3,0,0]=4 353 B18R2.31194 Clc1cc(ccn1)CNCC2CCCCCC2 34a_100015204231_100000764220 [0,1,0,0,0,0|3,0,0]=4 354 B18R2.31194 Clc1cc(ccn1)CNCC2CCCCCC2 34a_100015205668_200000696569 [0,1,0,0,0,0|3,0,0]=4 355 B18R2.31194 Clc1cc(ccn1)COCC2CCCCCC2 34a_100000699130_100000764220 [0,1,0,0,0,0|3,0,0]=4 356 B18R2.31194 Clc1cc(ccn1)COCC2CCCCCC2 34a_100000748751_200000696569 [0,1,0,0,0,0|3,0,0]=4 357 B18R2.31194 Clc1cc(ccn1)COCC2CCCCCC2 7a_100000699130_100000764220 [0,1,0,0,0,0|3,0,0]=4 358 B18R2.31194 Clc1cc(ccn1)CSCC2CCCCCC2 62a_100000764220_200000696569 [0,1,0,0,0,0|3,0,0]=4 359 B18R2.31194 Clc1cc(ccn1)CSCC2CCCCCC2 62a_200000696569_100000764220 [0,1,0,0,0,0|3,0,0]=4 360 B18R2.31194 Clc1cccc(c1)CCNC2CCCCCC2 2230a_100000210984_100011713710 [0,1,0,0,0,0|0,0,0]=1 361 B18R2.31194 Clc1cccc(c1)CCNC2CCCCCC2 270004a_100000185263_100000210131 [0,1,0,0,0,0|0,0,0]=1 362 B18R2.31194 Clc1cccc(c1)CCNC2CCCCCC2 34a_100000185263_100011217769 [0,1,0,0,0,0|0,0,0]=1 363 B18R2.31194 Clc1cccc(c1)CCNC2CCCCCC2 34a_100000210984_100011713710 [0,1,0,0,0,0|0,0,0]=1 364 B18R2.31194 Clc1cccc(c1)CCNC2CCCNCC2 270004a_100000185263_100015187895 [0,1,0,0,0,0|1,0,0]=2 365 B18R2.31194 Clc1cccc(c1)CCNC2CSCCSC2 270004a_100000185263_100000068409 [0,1,0,0,0,0|2,0,0]=3 366 B18R2.31194 Clc1cccc(c1)CCOC2CCCCCC2 34a_100000210887_100011713710 [0,1,0,0,0,0|1,0,0]=2 367 B18R2.31194 Clc1cccc(c1)CCOC2CCCCCC2 34a_100000754733_100011217769 [0,1,0,0,0,0|1,0,0]=2 368 B18R2.31194 Clc1cccc(c1)CCOC2CCCCCC2 7a_100000210887_100011713710 [0,1,0,0,0,0|1,0,0]=2 369 B18R2.31194 Clc1cccc(c1)CCSC2CCCCCC2 62a_100011217769_100011713710 [0,1,0,0,0,0|1,0,0]=2 370 B18R2.31194 Clc1cccc(c1)CCSC2CCCCCC2 62a_100011713710_100011217769 [0,1,0,0,0,0|1,0,0]=2 371 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000210801 [0,1,0,0,0,0|2,0,0]=3 372 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 2230a_100000174878_200000696569 [0,1,0,0,0,0|2,0,0]=3 373 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100000181238 [0,1,0,0,0,0|2,0,0]=3 374 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 269862a_100000174878_200000763224 [0,1,0,0,0,0|2,0,0]=3 375 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000210801 [0,1,0,0,0,0|2,0,0]=3 376 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 34a_100000174878_200000696569 [0,1,0,0,0,0|2,0,0]=3 377 B18R2.31194 Clc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100000187163 [0,1,0,0,0,0|2,0,0]=3 378 B18R2.31194 Clc1cccc(c1)CNN=C2CCCCCC2 4a_100000685877_100000210131 [0,1,0,0,0,0|1,0,2]=4 379 B18R2.31194 Clc1cccc(c1)COCC2CCCCCC2 34a_100000241301_200000696569 [0,1,0,0,0,0|2,0,0]=3 380 B18R2.31194 Clc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100000187163 [0,1,0,0,0,0|2,0,0]=3 381 B18R2.31194 Clc1cccc(c1)COCC2CCCCCC2 7a_100000241301_200000696569 [0,1,0,0,0,0|2,0,0]=3 382 B18R2.31194 Clc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000187163 [0,1,0,0,0,0|2,0,0]=3 383 B18R2.31194 Clc1cccc(c1)CSCC2CCCCCC2 62a_100000187163_200000696569 [0,1,0,0,0,0|2,0,0]=3 384 B18R2.31194 Clc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100000187163 [0,1,0,0,0,0|2,0,0]=3 385 B18R2.31194 Clc1cccc(c1)NN=CC2CCCCCC2 4a_100000184277_200000763224 [0,1,0,0,0,0|3,0,0]=4 386 B18R2.31194 Clc1cccc(c1)OCCN2CCCCCC2 2230a_100000185865_100000181161 [0,1,0,0,0,0|3,0,0]=4 387 B18R2.31194 Clc1cccc(c1)OCCN2CCCCCC2 269982a_100000185865_100000181161 [0,1,0,0,0,0|3,0,0]=4 388 B18R2.31194 Clc1cccc(c1)OCCN2CCCCCC2 34a_100000185865_100000181161 [0,1,0,0,0,0|3,0,0]=4 389 B18R2.31194 Clc1cccc(c1)OCCN2CCCCCC2 7a_100000210295_100000722644 [0,1,0,0,0,0|3,0,0]=4 390 B18R2.31194 Clc1cccc(c1)SCCN2CCCCCC2 62a_100000699651_100000722644 [0,1,0,0,0,0|3,0,0]=4 391 B18R2.31194 Clc1cccc(c1)SCCN2CCCCCC2 62a_100000722644_100000699651 [0,1,0,0,0,0|3,0,0]=4 392 B18R2.31194 Clc1cccc(n1)CNCC2CCCCCC2 2230a_100015204231_100000086093 [0,1,0,0,0,0|3,0,0]=4 393 B18R2.31194 Clc1cccc(n1)CNCC2CCCCCC2 2230a_100016990191_200000696569 [0,1,0,0,0,0|3,0,0]=4 394 B18R2.31194 Clc1cccc(n1)CNCC2CCCCCC2 270004a_100015204231_100011361687 [0,1,0,0,0,0|3,0,0]=4 395 B18R2.31194 Clc1cccc(n1)CNCC2CCCCCC2 34a_100015204231_100000086093 [0,1,0,0,0,0|3,0,0]=4 396 B18R2.31194 Clc1cccc(n1)COCC2CCCCCC2 34a_100000699130_100000086093 [0,1,0,0,0,0|3,0,0]=4 397 B18R2.31194 Clc1cccc(n1)COCC2CCCCCC2 34a_100011998359_200000696569 [0,1,0,0,0,0|3,0,0]=4 398 B18R2.31194 Clc1cccc(n1)COCC2CCCCCC2 7a_100000699130_100000086093 [0,1,0,0,0,0|3,0,0]=4 399 B18R2.31194 Clc1cccc(n1)CSCC2CCCCCC2 62a_100000086093_200000696569 [0,1,0,0,0,0|3,0,0]=4 400 B18R2.31194 Clc1cccc(n1)CSCC2CCCCCC2 62a_200000696569_100000086093 [0,1,0,0,0,0|3,0,0]=4 401 B18R2.31194 Clc1ccnc(c1)CNCC2CCCCCC2 2230a_100015204231_100016988179 [0,1,0,0,0,0|3,0,0]=4 402 B18R2.31194 Clc1ccnc(c1)CNCC2CCCCCC2 270004a_100015204231_100011998288 [0,1,0,0,0,0|3,0,0]=4 403 B18R2.31194 Clc1ccnc(c1)CNCC2CCCCCC2 34a_100015204231_100016988179 [0,1,0,0,0,0|3,0,0]=4 404 B18R2.31194 Clc1ccnc(c1)COCC2CCCCCC2 34a_100000699130_100016988179 [0,1,0,0,0,0|3,0,0]=4 405 B18R2.31194 Clc1ccnc(c1)COCC2CCCCCC2 34a_100000748867_200000696569 [0,1,0,0,0,0|3,0,0]=4 406 B18R2.31194 Clc1ccnc(c1)COCC2CCCCCC2 7a_100000699130_100016988179 [0,1,0,0,0,0|3,0,0]=4 407 B18R2.31194 Clc1ccnc(c1)CSCC2CCCCCC2 62a_100016988179_200000696569 [0,1,0,0,0,0|3,0,0]=4 408 B18R2.31194 Clc1ccnc(c1)CSCC2CCCCCC2 62a_200000696569_100016988179 [0,1,0,0,0,0|3,0,0]=4 409 B18R2.31194 Clc1cncc(c1)CNCC2CCCCCC2 207a_100015204231_100000088910 [0,1,0,0,0,0|3,0,0]=4 410 B18R2.31194 Clc1cncc(c1)CNCC2CCCCCC2 2230a_100015204231_100016992070 [0,1,0,0,0,0|3,0,0]=4 411 B18R2.31194 Clc1cncc(c1)CNCC2CCCCCC2 2230a_200020614424_200000696569 [0,1,0,0,0,0|3,0,0]=4 412 B18R2.31194 Clc1cncc(c1)CNCC2CCCCCC2 269862a_200020614424_200000763224 [0,1,0,0,0,0|3,0,0]=4 413 B18R2.31194 Clc1cncc(c1)CNCC2CCCCCC2 270004a_100015204231_100000088910 [0,1,0,0,0,0|3,0,0]=4 414 B18R2.31194 Clc1cncc(c1)CNCC2CCCCCC2 34a_100015204231_100016992070 [0,1,0,0,0,0|3,0,0]=4 415 B18R2.31194 Clc1cncc(c1)COCC2CCCCCC2 34a_100000092867_200000696569 [0,1,0,0,0,0|3,0,0]=4 416 B18R2.31194 Clc1cncc(c1)COCC2CCCCCC2 34a_100000699130_100016992070 [0,1,0,0,0,0|3,0,0]=4 417 B18R2.31194 Clc1cncc(c1)COCC2CCCCCC2 7a_100000092867_200000696569 [0,1,0,0,0,0|3,0,0]=4 418 B18R2.31194 Clc1cncc(c1)COCC2CCCCCC2 7a_100000699130_100016992070 [0,1,0,0,0,0|3,0,0]=4 419 B18R2.31194 Clc1cncc(c1)CSCC2CCCCCC2 62a_100016992070_200000696569 [0,1,0,0,0,0|3,0,0]=4 420 B18R2.31194 Clc1cncc(c1)CSCC2CCCCCC2 62a_200000696569_100016992070 [0,1,0,0,0,0|3,0,0]=4 421 B18R2.31194 Fc1cc(ccn1)CNCC2CCCCCC2 2230a_100015188774_200000696569 [0,1,0,0,0,0|3,0,0]=4 422 B18R2.31194 Fc1cc(ccn1)CNCC2CCCCCC2 269862a_100015188774_200000763224 [0,1,0,0,0,0|3,0,0]=4 423 B18R2.31194 Fc1cc(ccn1)CNCC2CCCCCC2 270004a_100015204231_100000068331 [0,1,0,0,0,0|3,0,0]=4 424 B18R2.31194 Fc1cc(ccn1)CNCC2CCCCCC2 34a_100015188774_200000696569 [0,1,0,0,0,0|3,0,0]=4 425 B18R2.31194 Fc1cc(ccn1)COCC2CCCCCC2 34a_100000082451_200000696569 [0,1,0,0,0,0|3,0,0]=4 426 B18R2.31194 Fc1cc(ccn1)NCCC2CCCCCC2 27a_100011532351_100009816116 [0,1,0,0,0,0|3,0,0]=4 427 B18R2.31194 Fc1cccc(c1)CCCN2CCCCCC2 2230a_100000185865_200000698031 [0,1,0,0,0,0|2,0,0]=3 428 B18R2.31194 Fc1cccc(c1)CCCN2CCCCCC2 269982a_100000185865_200000698031 [0,1,0,0,0,0|2,0,0]=3 429 B18R2.31194 Fc1cccc(c1)CCCN2CCCCCC2 34a_100000185865_200000698031 [0,1,0,0,0,0|2,0,0]=3 430 B18R2.31194 Fc1cccc(c1)CCCN2CCCOCC2 2230a_100000685342_200000698031 [0,1,0,0,0,0|3,0,0]=4 431 B18R2.31194 Fc1cccc(c1)CCCN2CCCOCC2 269982a_100000685342_200000698031 [0,1,0,0,0,0|3,0,0]=4 432 B18R2.31194 Fc1cccc(c1)CCCN2CCCOCC2 34a_100000685342_200000698031 [0,1,0,0,0,0|3,0,0]=4 433 B18R2.31194 Fc1cccc(c1)CCNC2CCCCCC2 2230a_100000210984_100011217235 [0,1,0,0,0,0|0,0,0]=1 434 B18R2.31194 Fc1cccc(c1)CCNC2CCCCCC2 270004a_100000205154_100000210131 [0,1,0,0,0,0|0,0,0]=1 435 B18R2.31194 Fc1cccc(c1)CCNC2CCCCCC2 34a_100000205154_100011217769 [0,1,0,0,0,0|0,0,0]=1 436 B18R2.31194 Fc1cccc(c1)CCNC2CCCCCC2 34a_100000210984_100011217235 [0,1,0,0,0,0|0,0,0]=1 437 B18R2.31194 Fc1cccc(c1)CCNC2CCCNCC2 270004a_100000205154_100015187895 [0,1,0,0,0,0|1,0,0]=2 438 B18R2.31194 Fc1cccc(c1)CCNC2CSCCSC2 270004a_100000205154_100000068409 [0,1,0,0,0,0|2,0,0]=3 439 B18R2.31194 Fc1cccc(c1)CCOC2CCCCCC2 34a_100000210887_100011217235 [0,1,0,0,0,0|1,0,0]=2 440 B18R2.31194 Fc1cccc(c1)CCOC2CCCCCC2 34a_100000763591_100011217769 [0,1,0,0,0,0|1,0,0]=2 441 B18R2.31194 Fc1cccc(c1)CCOC2CCCCCC2 7a_100000210887_100011217235 [0,1,0,0,0,0|1,0,0]=2 442 B18R2.31194 Fc1cccc(c1)CCSC2CCCCCC2 62a_100011217235_100011217769 [0,1,0,0,0,0|1,0,0]=2 443 B18R2.31194 Fc1cccc(c1)CCSC2CCCCCC2 62a_100011217769_100011217235 [0,1,0,0,0,0|1,0,0]=2 444 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000210812 [0,1,0,0,0,0|2,0,0]=3 445 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 2230a_100000174948_200000696569 [0,1,0,0,0,0|2,0,0]=3 446 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100000230114 [0,1,0,0,0,0|2,0,0]=3 447 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 269862a_100000174948_200000763224 [0,1,0,0,0,0|2,0,0]=3 448 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000210812 [0,1,0,0,0,0|2,0,0]=3 449 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 34a_100000174948_200000696569 [0,1,0,0,0,0|2,0,0]=3 450 B18R2.31194 Fc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100000187166 [0,1,0,0,0,0|2,0,0]=3 451 B18R2.31194 Fc1cccc(c1)CNN=C2CCCCCC2 4a_100016993953_100000210131 [0,1,0,0,0,0|1,0,2]=4 452 B18R2.31194 Fc1cccc(c1)COCC2CCCCCC2 34a_100000210976_200000696569 [0,1,0,0,0,0|2,0,0]=3 453 B18R2.31194 Fc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100000187166 [0,1,0,0,0,0|2,0,0]=3 454 B18R2.31194 Fc1cccc(c1)COCC2CCCCCC2 7a_100000210976_200000696569 [0,1,0,0,0,0|2,0,0]=3 455 B18R2.31194 Fc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000230114 [0,1,0,0,0,0|2,0,0]=3 456 B18R2.31194 Fc1cccc(c1)CSCC2CCCCCC2 62a_100000230114_200000696569 [0,1,0,0,0,0|2,0,0]=3 457 B18R2.31194 Fc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100000230114 [0,1,0,0,0,0|2,0,0]=3 458 B18R2.31194 Fc1cccc(c1)NN=CC2CCCCCC2 4a_100000745080_200000763224 [0,1,0,0,0,0|3,0,0]=4 459 B18R2.31194 Fc1cccc(c1)OCCN2CCCCCC2 2230a_100000185865_100000739188 [0,1,0,0,0,0|3,0,0]=4 460 B18R2.31194 Fc1cccc(c1)OCCN2CCCCCC2 269982a_100000185865_100000739188 [0,1,0,0,0,0|3,0,0]=4 461 B18R2.31194 Fc1cccc(c1)OCCN2CCCCCC2 34a_100000185865_100000739188 [0,1,0,0,0,0|3,0,0]=4 462 B18R2.31194 Fc1cccc(c1)OCCN2CCCCCC2 7a_100000210426_100000722644 [0,1,0,0,0,0|3,0,0]=4 463 B18R2.31194 Fc1cccc(c1)SCCN2CCCCCC2 62a_100000685547_100000722644 [0,1,0,0,0,0|3,0,0]=4 464 B18R2.31194 Fc1cccc(c1)SCCN2CCCCCC2 62a_100000722644_100000685547 [0,1,0,0,0,0|3,0,0]=4 465 B18R2.31194 Fc1cccc(n1)CNCC2CCCCCC2 2230a_100015188798_200000696569 [0,1,0,0,0,0|3,0,0]=4 466 B18R2.31194 Fc1cccc(n1)CNCC2CCCCCC2 2230a_100015204231_100009819644 [0,1,0,0,0,0|3,0,0]=4 467 B18R2.31194 Fc1cccc(n1)CNCC2CCCCCC2 270004a_100015204231_100000050434 [0,1,0,0,0,0|3,0,0]=4 468 B18R2.31194 Fc1cccc(n1)CNCC2CCCCCC2 34a_100015188798_200000696569 [0,1,0,0,0,0|3,0,0]=4 469 B18R2.31194 Fc1cccc(n1)CNCC2CCCCCC2 34a_100015204231_100009819644 [0,1,0,0,0,0|3,0,0]=4 470 B18R2.31194 Fc1cccc(n1)COCC2CCCCCC2 34a_100000086748_200000696569 [0,1,0,0,0,0|3,0,0]=4 471 B18R2.31194 Fc1cccc(n1)COCC2CCCCCC2 34a_100000699130_100009819644 [0,1,0,0,0,0|3,0,0]=4 472 B18R2.31194 Fc1cccc(n1)COCC2CCCCCC2 7a_100000699130_100009819644 [0,1,0,0,0,0|3,0,0]=4 473 B18R2.31194 Fc1cccc(n1)CSCC2CCCCCC2 62a_100009819644_200000696569 [0,1,0,0,0,0|3,0,0]=4 474 B18R2.31194 Fc1cccc(n1)CSCC2CCCCCC2 62a_200000696569_100009819644 [0,1,0,0,0,0|3,0,0]=4 475 B18R2.31194 Fc1cccc(n1)NCCC2CCCCCC2 27a_100011532351_100009815982 [0,1,0,0,0,0|3,0,0]=4 476 B18R2.31194 Fc1ccnc(c1)NCCC2CCCCCC2 27a_100011532351_100000764206 [0,1,0,0,0,0|3,0,0]=4 477 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 207a_100015204231_100011361476 [0,1,0,0,0,0|3,0,0]=4 478 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 2230a_100011962886_200000696569 [0,1,0,0,0,0|3,0,0]=4 479 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 2230a_100015204231_100000725299 [0,1,0,0,0,0|3,0,0]=4 480 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 269862a_100011962886_200000763224 [0,1,0,0,0,0|3,0,0]=4 481 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 270004a_100015204231_100011361476 [0,1,0,0,0,0|3,0,0]=4 482 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 34a_100011962886_200000696569 [0,1,0,0,0,0|3,0,0]=4 483 B18R2.31194 Fc1cncc(c1)CNCC2CCCCCC2 34a_100015204231_100000725299 [0,1,0,0,0,0|3,0,0]=4 484 B18R2.31194 Fc1cncc(c1)COCC2CCCCCC2 34a_100000699130_100000725299 [0,1,0,0,0,0|3,0,0]=4 485 B18R2.31194 Fc1cncc(c1)COCC2CCCCCC2 34a_100011962875_200000696569 [0,1,0,0,0,0|3,0,0]=4 486 B18R2.31194 Fc1cncc(c1)COCC2CCCCCC2 7a_100000699130_100000725299 [0,1,0,0,0,0|3,0,0]=4 487 B18R2.31194 Fc1cncc(c1)COCC2CCCCCC2 7a_100011962875_200000696569 [0,1,0,0,0,0|3,0,0]=4 488 B18R2.31194 Fc1cncc(c1)CSCC2CCCCCC2 62a_100000725299_200000696569 [0,1,0,0,0,0|3,0,0]=4 489 B18R2.31194 Fc1cncc(c1)CSCC2CCCCCC2 62a_200000696569_100000725299 [0,1,0,0,0,0|3,0,0]=4 490 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000014684 [0,1,0,0,0,0|2,0,0]=3 491 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 2230a_100000106179_200000696569 [0,1,0,0,0,0|2,0,0]=3 492 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100011218688 [0,1,0,0,0,0|2,0,0]=3 493 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 269862a_100000106179_200000763224 [0,1,0,0,0,0|2,0,0]=3 494 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000014684 [0,1,0,0,0,0|2,0,0]=3 495 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 34a_100000106179_200000696569 [0,1,0,0,0,0|2,0,0]=3 496 B18R2.31194 Ic1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100011218688 [0,1,0,0,0,0|2,0,0]=3 497 B18R2.31194 Ic1cccc(c1)COCC2CCCCCC2 34a_100000699130_100011218688 [0,1,0,0,0,0|2,0,0]=3 498 B18R2.31194 Ic1cccc(c1)COCC2CCCCCC2 34a_100011215336_200000696569 [0,1,0,0,0,0|2,0,0]=3 499 B18R2.31194 Ic1cccc(c1)COCC2CCCCCC2 7a_100000699130_100011218688 [0,1,0,0,0,0|2,0,0]=3 500 B18R2.31194 Ic1cccc(c1)COCC2CCCCCC2 7a_100011215336_200000696569 [0,1,0,0,0,0|2,0,0]=3 501 B18R2.31194 Ic1cccc(c1)CSCC2CCCCCC2 62a_100011218688_200000696569 [0,1,0,0,0,0|2,0,0]=3 502 B18R2.31194 Ic1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100011218688 [0,1,0,0,0,0|2,0,0]=3 503 B18R2.31194 Ic1cccc(c1)NN=CC2CCCCCC2 4a_100020605690_200000763224 [0,1,0,0,0,0|3,0,0]=4 504 B18R2.31194 Ic1cccc(c1)OCCN2CCCCCC2 7a_100000211634_100000722644 [0,1,0,0,0,0|3,0,0]=4 505 B18R2.31194 Nc1cccc(c1)CCOC2CCCCCC2 34a_100011996697_100011217769 [0,1,0,0,0,0|1,0,0]=2 506 B18R2.31194 Nc1cccc(c1)COCC2CCCCCC2 34a_100000211919_200000696569 [0,1,0,0,0,0|2,0,0]=3 507 B18R2.31194 Nc1cccc(c1)SCCN2CCCCCC2 62a_100000210019_100000722644 [0,1,0,0,0,0|3,0,0]=4 508 B18R2.31194 Nc1cccc(c1)SCCN2CCCCCC2 62a_100000722644_100000210019 [0,1,0,0,0,0|3,0,0]=4 509 B18R2.31194 Nc1ccnc(c1)COCC2CCCCCC2 34a_100000692640_200000696569 [0,1,0,0,0,0|3,0,0]=4 510 B18R2.31194 Nc1cncc(c1)COCC2CCCCCC2 34a_100000085308_200000696569 [0,1,0,0,0,0|3,0,0]=4 511 B18R2.31194 O=c1cc(cc[nH]1)NCCC2CCCCCC2 27a_100011532351_100000061649 [0,1,0,0,0,0|3,0,0]=4 512 B18R2.31194 O=c1cccc([nH]1)CNCC2CCCCCC2 207a_100015204231_100011935257 [0,1,0,0,0,0|3,0,0]=4 513 B18R2.31194 O=c1cccc([nH]1)CNCC2CCCCCC2 2230a_100000696482_200000696569 [0,1,0,0,0,0|3,0,0]=4 514 B18R2.31194 Oc1cc(ccn1)CNCC2CCCCCC2 207a_100015204231_100000688113 [0,1,0,0,0,0|3,0,0]=4 515 B18R2.31194 Oc1cccc(c1)CCNC2CCCCCC2 34a_100000747277_100011217769 [0,1,0,0,0,0|0,0,0]=1 516 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000188321 [0,1,0,0,0,0|2,0,0]=3 517 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 2230a_100000743036_200000696569 [0,1,0,0,0,0|2,0,0]=3 518 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100011660834 [0,1,0,0,0,0|2,0,0]=3 519 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 269862a_100000743036_200000763224 [0,1,0,0,0,0|2,0,0]=3 520 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000188321 [0,1,0,0,0,0|2,0,0]=3 521 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 34a_100000743036_200000696569 [0,1,0,0,0,0|2,0,0]=3 522 B18R2.31194 Oc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100011660834 [0,1,0,0,0,0|2,0,0]=3 523 B18R2.31194 Oc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100011660834 [0,1,0,0,0,0|2,0,0]=3 524 B18R2.31194 Oc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000084143 [0,1,0,0,0,0|2,0,0]=3 525 B18R2.31194 Oc1cccc(c1)CSCC2CCCCCC2 62a_100011660834_200000696569 [0,1,0,0,0,0|2,0,0]=3 526 B18R2.31194 Oc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100011660834 [0,1,0,0,0,0|2,0,0]=3 527 B18R2.31194 Oc1cccc(c1)SCCN2CCCCCC2 62a_100000722644_100000211634 [0,1,0,0,0,0|3,0,0]=4 528 B18R2.31194 Oc1cncc(c1)CNCC2CCCCCC2 207a_100015204231_100012187055 [0,1,0,0,0,0|3,0,0]=4 529 B18R2.31194 Oc1cncc(c1)CNCC2CCCCCC2 270004a_100015204231_100012187055 [0,1,0,0,0,0|3,0,0]=4 530 B18R2.31194 [O-][n+]1cccc(c1)COCC2CCCCCC2 34a_100000037817_200000696569 [0,1,0,0,0,0|3,0,0]=4 531 B18R2.31194 [O-][n+]1cccc(c1)COCC2CCCCCC2 7a_100000037817_200000696569 [0,1,0,0,0,0|3,0,0]=4 532 B18R2.31194 [S]c1cccc(c1)SCCN2CCCCCC2 62a_100000722644_114929384022 [0,1,0,0,0,0|3,0,0]=4 533 B18R2.31194 [S]c1cccc(c1)SCCN2CCCCCC2 62a_114929384022_100000722644 [0,1,0,0,0,0|3,0,0]=4 534 B18R2.31711 OC1CCCCN(C1)CCCc2ccccc2 2230a_100025706797_100000211621 [0,1,0,0,0,0|2,0,0]=3 535 B18R2.31711 OC1CCCCN(C1)CCCc2ccccc2 269982a_100025706797_100000211621 [0,1,0,0,0,0|2,0,0]=3 536 B18R2.31711 OC1CCCCN(C1)CCOc2ccccc2 2230a_100025706797_100000184471 [0,1,0,0,0,0|3,0,0]=4 537 B18R2.31711 OC1CCCCN(C1)CCOc2ccccc2 269982a_100025706797_100000184471 [0,1,0,0,0,0|3,0,0]=4 538 B18R2.31711 OC1CCCCN(C1)CCOc2ccccc2 270004a_100025706797_100000758736 [0,1,0,0,0,0|3,0,0]=4 539 B18R2.31711 OC1CCCCN(C1)CCSc2ccccc2 2230a_100025706797_100000246102 [0,1,0,0,0,0|3,0,0]=4 540 B18R2.31711 OC1CCCCN(C1)CCSc2ccccc2 269982a_100025706797_100000246102 [0,1,0,0,0,0|3,0,0]=4 541 B18R2.31711 OC1CCCCN(C1)COCc2ccccc2 2230a_100025706797_100000763385 [0,1,0,0,0,0|3,0,0]=4 542 B18R2.31711 OC1CCCCN(C1)CSCc2ccccc2 2230a_100025706797_200011217039 [0,1,0,0,0,0|3,0,0]=4 543 B18R2.31711 OC1CCCCN(C1)CSCc2ccccc2 269982a_100025706797_200011217039 [0,1,0,0,0,0|3,0,0]=4 544 B18R2.31711 O[C@H]1COCCN(C1)CCCc2ccccc2 2230a_100016073750_100000211621 [0,1,0,0,0,0|3,0,0]=4 545 B18R2.31711 O[C@H]1COCCN(C1)CCCc2ccccc2 269982a_100016073750_100000211621 [0,1,0,0,0,0|3,0,0]=4 546 B18R2.39342 CC1CCCN(CC1)CCCc2ccccc2 2230a_100025706717_100000211621 [0,1,0,0,0,0|2,0,0]=3 547 B18R2.39342 CC1CCCN(CC1)CCCc2ccccc2 269982a_100025706717_100000211621 [0,1,0,0,0,0|2,0,0]=3 548 B18R2.39342 CC1CCCN(CC1)CCCc2ccccc2 34a_100025706717_100000211621 [0,1,0,0,0,0|2,0,0]=3 549 B18R2.39342 CC1CCCN(CC1)CCOc2ccccc2 2230a_100025706717_100000184471 [0,1,0,0,0,0|3,0,0]=4 550 B18R2.39342 CC1CCCN(CC1)CCOc2ccccc2 269982a_100025706717_100000184471 [0,1,0,0,0,0|3,0,0]=4 551 B18R2.39342 CC1CCCN(CC1)CCOc2ccccc2 270004a_100025706717_100000758736 [0,1,0,0,0,0|3,0,0]=4 552 B18R2.39342 CC1CCCN(CC1)CCOc2ccccc2 34a_100025706717_100000184471 [0,1,0,0,0,0|3,0,0]=4 553 B18R2.39342 CC1CCCN(CC1)CCSc2ccccc2 2230a_100025706717_100000246102 [0,1,0,0,0,0|3,0,0]=4 554 B18R2.39342 CC1CCCN(CC1)CCSc2ccccc2 269982a_100025706717_100000246102 [0,1,0,0,0,0|3,0,0]=4 555 B18R2.39342 CC1CCCN(CC1)CCSc2ccccc2 34a_100025706717_100000246102 [0,1,0,0,0,0|3,0,0]=4 556 B18R2.39342 CC1CCCN(CC1)COCc2ccccc2 2230a_100025706717_100000763385 [0,1,0,0,0,0|3,0,0]=4 557 B18R2.39342 CC1CCCN(CC1)COCc2ccccc2 34a_100025706717_100000763385 [0,1,0,0,0,0|3,0,0]=4 558 B18R2.39342 CC1CCCN(CC1)CSCc2ccccc2 2230a_100025706717_200011217039 [0,1,0,0,0,0|3,0,0]=4 559 B18R2.39342 CC1CCCN(CC1)CSCc2ccccc2 269982a_100025706717_200011217039 [0,1,0,0,0,0|3,0,0]=4 560 B18R2.39342 CC1CCCN(CC1)CSCc2ccccc2 34a_100025706717_200011217039 [0,1,0,0,0,0|3,0,0]=4 561 B18R2.39342 CN1CCCN(CC1)CCCc2ccccc2 2230a_100000211313_100000211621 [0,1,0,0,0,0|3,0,0]=4 562 B18R2.39342 CN1CCCN(CC1)CCCc2ccccc2 269982a_100000211313_100000211621 [0,1,0,0,0,0|3,0,0]=4 563 B18R2.39342 CN1CCCN(CC1)CCCc2ccccc2 269982a_100000286036_200000210301 [0,1,0,0,0,0|3,0,0]=4 564 B18R2.39342 OC1CCCN(CC1)CCCc2ccccc2 2230a_100015186869_100000211621 [0,1,0,0,0,0|2,0,0]=3 565 B18R2.39342 OC1CCCN(CC1)CCCc2ccccc2 269982a_100015186869_100000211621 [0,1,0,0,0,0|2,0,0]=3 566 B18R2.39342 OC1CCCN(CC1)CCOc2ccccc2 2230a_100015186869_100000184471 [0,1,0,0,0,0|3,0,0]=4 567 B18R2.39342 OC1CCCN(CC1)CCOc2ccccc2 269982a_100015186869_100000184471 [0,1,0,0,0,0|3,0,0]=4 568 B18R2.39342 OC1CCCN(CC1)CCOc2ccccc2 270004a_100015186869_100000758736 [0,1,0,0,0,0|3,0,0]=4 569 B18R2.39342 OC1CCCN(CC1)CCSc2ccccc2 2230a_100015186869_100000246102 [0,1,0,0,0,0|3,0,0]=4 570 B18R2.39342 OC1CCCN(CC1)CCSc2ccccc2 269982a_100015186869_100000246102 [0,1,0,0,0,0|3,0,0]=4 571 B18R2.39342 OC1CCCN(CC1)COCc2ccccc2 2230a_100015186869_100000763385 [0,1,0,0,0,0|3,0,0]=4 572 B18R2.39342 OC1CCCN(CC1)CSCc2ccccc2 2230a_100015186869_200011217039 [0,1,0,0,0,0|3,0,0]=4 573 B18R2.39342 OC1CCCN(CC1)CSCc2ccccc2 269982a_100015186869_200011217039 [0,1,0,0,0,0|3,0,0]=4 574 B18R2.39342 [13CH3]N1CCCN(CC1)CCCc2ccccc2 269982a_100000286036_200025704644 [0,1,0,0,0,0|3,0,0]=4 575 B18R2.39613 Brc1ccccc1CCCN2CCCCCC2 2230a_100000185865_200011713681 [0,1,0,0,0,0|2,0,0]=3 576 B18R2.39613 Brc1ccccc1CCCN2CCCCCC2 269982a_100000185865_200011713681 [0,1,0,0,0,0|2,0,0]=3 577 B18R2.39613 Brc1ccccc1CCCN2CCCCCC2 34a_100000185865_200011713681 [0,1,0,0,0,0|2,0,0]=3 578 B18R2.39613 Brc1ccccc1CCCN2CCCOCC2 2230a_100000685342_200011713681 [0,1,0,0,0,0|3,0,0]=4 579 B18R2.39613 Brc1ccccc1CCCN2CCCOCC2 269982a_100000685342_200011713681 [0,1,0,0,0,0|3,0,0]=4 580 B18R2.39613 Brc1ccccc1CCCN2CCCOCC2 34a_100000685342_200011713681 [0,1,0,0,0,0|3,0,0]=4 581 B18R2.39613 Brc1ccccc1CCNC2CCCCCC2 2230a_100000210984_100012161201 [0,1,0,0,0,0|0,0,0]=1 582 B18R2.39613 Brc1ccccc1CCNC2CCCCCC2 270004a_100000747383_100000210131 [0,1,0,0,0,0|0,0,0]=1 583 B18R2.39613 Brc1ccccc1CCNC2CCCCCC2 34a_100000210984_100012161201 [0,1,0,0,0,0|0,0,0]=1 584 B18R2.39613 Brc1ccccc1CCNC2CCCCCC2 34a_100000747383_100011217769 [0,1,0,0,0,0|0,0,0]=1 585 B18R2.39613 Brc1ccccc1CCNC2CCCNCC2 270004a_100000747383_100015187895 [0,1,0,0,0,0|1,0,0]=2 586 B18R2.39613 Brc1ccccc1CCNC2CSCCSC2 270004a_100000747383_100000068409 [0,1,0,0,0,0|2,0,0]=3 587 B18R2.39613 Brc1ccccc1CCOC2CCCCCC2 34a_100000210887_100012161201 [0,1,0,0,0,0|1,0,0]=2 588 B18R2.39613 Brc1ccccc1CCOC2CCCCCC2 34a_100000731337_100011217769 [0,1,0,0,0,0|1,0,0]=2 589 B18R2.39613 Brc1ccccc1CCOC2CCCCCC2 7a_100000210887_100012161201 [0,1,0,0,0,0|1,0,0]=2 590 B18R2.39613 Brc1ccccc1CCSC2CCCCCC2 62a_100011217769_100012161201 [0,1,0,0,0,0|1,0,0]=2 591 B18R2.39613 Brc1ccccc1CCSC2CCCCCC2 62a_100012161201_100011217769 [0,1,0,0,0,0|1,0,0]=2 592 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 207a_100015204231_100000211189 [0,1,0,0,0,0|2,0,0]=3 593 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 2230a_100000689332_200000696569 [0,1,0,0,0,0|2,0,0]=3 594 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000184730 [0,1,0,0,0,0|2,0,0]=3 595 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 269862a_100000689332_200000763224 [0,1,0,0,0,0|2,0,0]=3 596 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100000211189 [0,1,0,0,0,0|2,0,0]=3 597 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 34a_100000689332_200000696569 [0,1,0,0,0,0|2,0,0]=3 598 B18R2.39613 Brc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000184730 [0,1,0,0,0,0|2,0,0]=3 599 B18R2.39613 Brc1ccccc1CNN=C2CCCCCC2 4a_200016993956_100000210131 [0,1,0,0,0,0|1,0,2]=4 600 B18R2.39613 Brc1ccccc1COCC2CCCCCC2 34a_100000699130_100000184730 [0,1,0,0,0,0|2,0,0]=3 601 B18R2.39613 Brc1ccccc1COCC2CCCCCC2 34a_100000756307_200000696569 [0,1,0,0,0,0|2,0,0]=3 602 B18R2.39613 Brc1ccccc1COCC2CCCCCC2 7a_100000699130_100000184730 [0,1,0,0,0,0|2,0,0]=3 603 B18R2.39613 Brc1ccccc1COCC2CCCCCC2 7a_100000756307_200000696569 [0,1,0,0,0,0|2,0,0]=3 604 B18R2.39613 Brc1ccccc1CSCC2CCCCCC2 62a_100000184730_200000696569 [0,1,0,0,0,0|2,0,0]=3 605 B18R2.39613 Brc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000184730 [0,1,0,0,0,0|2,0,0]=3 606 B18R2.39613 Brc1ccccc1NN=CC2CCCCCC2 4a_100000241748_200000763224 [0,1,0,0,0,0|3,0,0]=4 607 B18R2.39613 Brc1ccccc1OCCN2CCCCCC2 2230a_100000185865_100000695877 [0,1,0,0,0,0|3,0,0]=4 608 B18R2.39613 Brc1ccccc1OCCN2CCCCCC2 269982a_100000185865_100000695877 [0,1,0,0,0,0|3,0,0]=4 609 B18R2.39613 Brc1ccccc1OCCN2CCCCCC2 34a_100000185865_100000695877 [0,1,0,0,0,0|3,0,0]=4 610 B18R2.39613 Brc1ccccc1OCCN2CCCCCC2 7a_100000181306_100000722644 [0,1,0,0,0,0|3,0,0]=4 611 B18R2.39613 Brc1ccccc1SCCN2CCCCCC2 62a_100000695589_100000722644 [0,1,0,0,0,0|3,0,0]=4 612 B18R2.39613 Brc1ccccc1SCCN2CCCCCC2 62a_100000722644_100000695589 [0,1,0,0,0,0|3,0,0]=4 613 B18R2.39613 Brc1cccnc1CNCC2CCCCCC2 207a_100015204231_100011934733 [0,1,0,0,0,0|3,0,0]=4 614 B18R2.39613 Brc1cccnc1CNCC2CCCCCC2 2230a_100015204231_100025702911 [0,1,0,0,0,0|3,0,0]=4 615 B18R2.39613 Brc1cccnc1CNCC2CCCCCC2 270004a_100015204231_100011934733 [0,1,0,0,0,0|3,0,0]=4 616 B18R2.39613 Brc1cccnc1CNCC2CCCCCC2 34a_100015204231_100025702911 [0,1,0,0,0,0|3,0,0]=4 617 B18R2.39613 Brc1cccnc1COCC2CCCCCC2 34a_100000699130_100025702911 [0,1,0,0,0,0|3,0,0]=4 618 B18R2.39613 Brc1cccnc1COCC2CCCCCC2 34a_100011996772_200000696569 [0,1,0,0,0,0|3,0,0]=4 619 B18R2.39613 Brc1cccnc1COCC2CCCCCC2 7a_100000699130_100025702911 [0,1,0,0,0,0|3,0,0]=4 620 B18R2.39613 Brc1cccnc1CSCC2CCCCCC2 62a_100025702911_200000696569 [0,1,0,0,0,0|3,0,0]=4 621 B18R2.39613 Brc1cccnc1CSCC2CCCCCC2 62a_200000696569_100025702911 [0,1,0,0,0,0|3,0,0]=4 622 B18R2.39613 Brc1cccnc1NCCC2CCCCCC2 27a_100011532351_100000696092 [0,1,0,0,0,0|3,0,0]=4 623 B18R2.39613 Brc1ccncc1CNCC2CCCCCC2 270004a_100015204231_100009816821 [0,1,0,0,0,0|3,0,0]=4 624 B18R2.39613 Brc1cnccc1CNCC2CCCCCC2 269862a_100020640021_200000763224 [0,1,0,0,0,0|3,0,0]=4 625 B18R2.39613 Brc1cnccc1CNCC2CCCCCC2 270004a_100015204231_100000755692 [0,1,0,0,0,0|3,0,0]=4 626 B18R2.39613 Brc1cnccc1NCCC2CCCCCC2 27a_100011532351_100000726257 [0,1,0,0,0,0|3,0,0]=4 627 B18R2.39613 Brc1ncccc1CNCC2CCCCCC2 2230a_100009818023_200000696569 [0,1,0,0,0,0|3,0,0]=4 628 B18R2.39613 Brc1ncccc1CNCC2CCCCCC2 2230a_100015204231_100010140945 [0,1,0,0,0,0|3,0,0]=4 629 B18R2.39613 Brc1ncccc1CNCC2CCCCCC2 269862a_100009818023_200000763224 [0,1,0,0,0,0|3,0,0]=4 630 B18R2.39613 Brc1ncccc1CNCC2CCCCCC2 34a_100009818023_200000696569 [0,1,0,0,0,0|3,0,0]=4 631 B18R2.39613 Brc1ncccc1CNCC2CCCCCC2 34a_100015204231_100010140945 [0,1,0,0,0,0|3,0,0]=4 632 B18R2.39613 Brc1ncccc1COCC2CCCCCC2 34a_100000699130_100010140945 [0,1,0,0,0,0|3,0,0]=4 633 B18R2.39613 Brc1ncccc1COCC2CCCCCC2 34a_100000719692_200000696569 [0,1,0,0,0,0|3,0,0]=4 634 B18R2.39613 Brc1ncccc1COCC2CCCCCC2 7a_100000699130_100010140945 [0,1,0,0,0,0|3,0,0]=4 635 B18R2.39613 Brc1ncccc1COCC2CCCCCC2 7a_100000719692_200000696569 [0,1,0,0,0,0|3,0,0]=4 636 B18R2.39613 Brc1ncccc1CSCC2CCCCCC2 62a_100010140945_200000696569 [0,1,0,0,0,0|3,0,0]=4 637 B18R2.39613 Brc1ncccc1CSCC2CCCCCC2 62a_200000696569_100010140945 [0,1,0,0,0,0|3,0,0]=4 638 B18R2.39613 Cc1ccccc1CCNC2CCCCCC2 2230a_100000210984_100011713688 [0,1,0,0,0,0|0,0,0]=1 639 B18R2.39613 Cc1ccccc1CCNC2CCCCCC2 270004a_100000685071_100000210131 [0,1,0,0,0,0|0,0,0]=1 640 B18R2.39613 Cc1ccccc1CCNC2CCCCCC2 34a_100000210984_100011713688 [0,1,0,0,0,0|0,0,0]=1 641 B18R2.39613 Cc1ccccc1CCNC2CCCCCC2 34a_100000685071_100011217769 [0,1,0,0,0,0|0,0,0]=1 642 B18R2.39613 Cc1ccccc1CCNC2CCCNCC2 270004a_100000685071_100015187895 [0,1,0,0,0,0|1,0,0]=2 643 B18R2.39613 Cc1ccccc1CCNC2CSCCSC2 270004a_100000685071_100000068409 [0,1,0,0,0,0|2,0,0]=3 644 B18R2.39613 Cc1ccccc1CCOC2CCCCCC2 34a_100000210887_100011713688 [0,1,0,0,0,0|1,0,0]=2 645 B18R2.39613 Cc1ccccc1CCOC2CCCCCC2 34a_100011220023_100011217769 [0,1,0,0,0,0|1,0,0]=2 646 B18R2.39613 Cc1ccccc1CCOC2CCCCCC2 7a_100000210887_100011713688 [0,1,0,0,0,0|1,0,0]=2 647 B18R2.39613 Cc1ccccc1CCSC2CCCCCC2 62a_100011217769_100011713688 [0,1,0,0,0,0|1,0,0]=2 648 B18R2.39613 Cc1ccccc1CCSC2CCCCCC2 62a_100011713688_100011217769 [0,1,0,0,0,0|1,0,0]=2 649 B18R2.39613 Cc1ccccc1CNCC2CCCCCC2 207a_100015204231_100000211143 [0,1,0,0,0,0|2,0,0]=3 650 B18R2.39613 Cc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000211839 [0,1,0,0,0,0|2,0,0]=3 651 B18R2.39613 Cc1ccccc1CNCC2CCCCCC2 269862a_100000174972_200000763224 [0,1,0,0,0,0|2,0,0]=3 652 B18R2.39613 Cc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100000211143 [0,1,0,0,0,0|2,0,0]=3 653 B18R2.39613 Cc1ccccc1CNCC2CCCCCC2 34a_100000174972_200000696569 [0,1,0,0,0,0|2,0,0]=3 654 B18R2.39613 Cc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000211839 [0,1,0,0,0,0|2,0,0]=3 655 B18R2.39613 Cc1ccccc1CNN=C2CCCCCC2 4a_100000737298_100000210131 [0,1,0,0,0,0|1,0,2]=4 656 B18R2.39613 Cc1ccccc1COCC2CCCCCC2 34a_100000698903_200000696569 [0,1,0,0,0,0|2,0,0]=3 657 B18R2.39613 Cc1ccccc1COCC2CCCCCC2 34a_100000699130_100000211839 [0,1,0,0,0,0|2,0,0]=3 658 B18R2.39613 Cc1ccccc1COCC2CCCCCC2 7a_100000698903_200000696569 [0,1,0,0,0,0|2,0,0]=3 659 B18R2.39613 Cc1ccccc1COCC2CCCCCC2 7a_100000699130_100000211839 [0,1,0,0,0,0|2,0,0]=3 660 B18R2.39613 Cc1ccccc1CSCC2CCCCCC2 62a_100000211839_200000696569 [0,1,0,0,0,0|2,0,0]=3 661 B18R2.39613 Cc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000211839 [0,1,0,0,0,0|2,0,0]=3 662 B18R2.39613 Cc1ccccc1NN=CC2CCCCCC2 4a_100000184220_200000763224 [0,1,0,0,0,0|3,0,0]=4 663 B18R2.39613 Cc1ccccc1OCCN2CCCCCC2 2230a_100000185865_100000184434 [0,1,0,0,0,0|3,0,0]=4 664 B18R2.39613 Cc1ccccc1OCCN2CCCCCC2 269982a_100000185865_100000184434 [0,1,0,0,0,0|3,0,0]=4 665 B18R2.39613 Cc1ccccc1OCCN2CCCCCC2 34a_100000185865_100000184434 [0,1,0,0,0,0|3,0,0]=4 666 B18R2.39613 Cc1ccccc1OCCN2CCCCCC2 7a_100000210338_100000722644 [0,1,0,0,0,0|3,0,0]=4 667 B18R2.39613 Cc1ccccc1SCCN2CCCCCC2 62a_100000210755_100000722644 [0,1,0,0,0,0|3,0,0]=4 668 B18R2.39613 Cc1ccccc1SCCN2CCCCCC2 62a_100000722644_100000210755 [0,1,0,0,0,0|3,0,0]=4 669 B18R2.39613 Cc1cccnc1CCOC2CCCCCC2 34a_100011997706_100011217769 [0,1,0,0,0,0|2,0,0]=3 670 B18R2.39613 Cc1cccnc1CNCC2CCCCCC2 207a_100015204231_100000698913 [0,1,0,0,0,0|3,0,0]=4 671 B18R2.39613 Cc1cccnc1CNCC2CCCCCC2 2230a_100015204231_100000696600 [0,1,0,0,0,0|3,0,0]=4 672 B18R2.39613 Cc1cccnc1CNCC2CCCCCC2 270004a_100015204231_100000698913 [0,1,0,0,0,0|3,0,0]=4 673 B18R2.39613 Cc1cccnc1CNCC2CCCCCC2 34a_100011223789_200000696569 [0,1,0,0,0,0|3,0,0]=4 674 B18R2.39613 Cc1cccnc1CNCC2CCCCCC2 34a_100015204231_100000696600 [0,1,0,0,0,0|3,0,0]=4 675 B18R2.39613 Cc1cccnc1COCC2CCCCCC2 34a_100000698912_200000696569 [0,1,0,0,0,0|3,0,0]=4 676 B18R2.39613 Cc1cccnc1COCC2CCCCCC2 34a_100000699130_100000696600 [0,1,0,0,0,0|3,0,0]=4 677 B18R2.39613 Cc1cccnc1COCC2CCCCCC2 7a_100000699130_100000696600 [0,1,0,0,0,0|3,0,0]=4 678 B18R2.39613 Cc1cccnc1CSCC2CCCCCC2 62a_100000696600_200000696569 [0,1,0,0,0,0|3,0,0]=4 679 B18R2.39613 Cc1cccnc1CSCC2CCCCCC2 62a_200000696569_100000696600 [0,1,0,0,0,0|3,0,0]=4 680 B18R2.39613 Cc1ccncc1CNCC2CCCCCC2 207a_100015204231_100000685662 [0,1,0,0,0,0|3,0,0]=4 681 B18R2.39613 Cc1ccncc1CNCC2CCCCCC2 2230a_100015204231_100000690890 [0,1,0,0,0,0|3,0,0]=4 682 B18R2.39613 Cc1ccncc1CNCC2CCCCCC2 269862a_100011997553_200000763224 [0,1,0,0,0,0|3,0,0]=4 683 B18R2.39613 Cc1ccncc1CNCC2CCCCCC2 270004a_100015204231_100000685662 [0,1,0,0,0,0|3,0,0]=4 684 B18R2.39613 Cc1ccncc1CNCC2CCCCCC2 34a_100015204231_100000690890 [0,1,0,0,0,0|3,0,0]=4 685 B18R2.39613 Cc1ccncc1COCC2CCCCCC2 34a_100000699130_100000690890 [0,1,0,0,0,0|3,0,0]=4 686 B18R2.39613 Cc1ccncc1COCC2CCCCCC2 34a_100011996381_200000696569 [0,1,0,0,0,0|3,0,0]=4 687 B18R2.39613 Cc1ccncc1COCC2CCCCCC2 7a_100000699130_100000690890 [0,1,0,0,0,0|3,0,0]=4 688 B18R2.39613 Cc1ccncc1CSCC2CCCCCC2 62a_100000690890_200000696569 [0,1,0,0,0,0|3,0,0]=4 689 B18R2.39613 Cc1ccncc1CSCC2CCCCCC2 62a_200000696569_100000690890 [0,1,0,0,0,0|3,0,0]=4 690 B18R2.39613 Cc1cnccc1CNCC2CCCCCC2 2230a_100015204231_100020672808 [0,1,0,0,0,0|3,0,0]=4 691 B18R2.39613 Cc1cnccc1CNCC2CCCCCC2 269862a_100000708811_200000763224 [0,1,0,0,0,0|3,0,0]=4 692 B18R2.39613 Cc1cnccc1CNCC2CCCCCC2 34a_100015204231_100020672809 [0,1,0,0,0,0|3,0,0]=4 693 B18R2.39613 Cc1cnccc1COCC2CCCCCC2 34a_100000699130_100020672809 [0,1,0,0,0,0|3,0,0]=4 694 B18R2.39613 Cc1cnccc1COCC2CCCCCC2 34a_100011997032_200000696569 [0,1,0,0,0,0|3,0,0]=4 695 B18R2.39613 Cc1cnccc1COCC2CCCCCC2 7a_100000699130_100020672808 [0,1,0,0,0,0|3,0,0]=4 696 B18R2.39613 Cc1cnccc1CSCC2CCCCCC2 62a_100020672808_200000696569 [0,1,0,0,0,0|3,0,0]=4 697 B18R2.39613 Cc1cnccc1CSCC2CCCCCC2 62a_200000696569_100020672808 [0,1,0,0,0,0|3,0,0]=4 698 B18R2.39613 Cc1cnccc1NCCC2CCCCCC2 27a_100011532351_100000765111 [0,1,0,0,0,0|3,0,0]=4 699 B18R2.39613 Cc1ncccc1CNCC2CCCCCC2 207a_100015204231_100000751968 [0,1,0,0,0,0|3,0,0]=4 700 B18R2.39613 Cc1ncccc1CNCC2CCCCCC2 2230a_100015204231_100000732876 [0,1,0,0,0,0|3,0,0]=4 701 B18R2.39613 Cc1ncccc1CNCC2CCCCCC2 270004a_100015204231_100000751968 [0,1,0,0,0,0|3,0,0]=4 702 B18R2.39613 Cc1ncccc1CNCC2CCCCCC2 34a_100015204231_100000732876 [0,1,0,0,0,0|3,0,0]=4 703 B18R2.39613 Cc1ncccc1COCC2CCCCCC2 34a_100000699130_100000732876 [0,1,0,0,0,0|3,0,0]=4 704 B18R2.39613 Cc1ncccc1COCC2CCCCCC2 34a_100000729262_200000696569 [0,1,0,0,0,0|3,0,0]=4 705 B18R2.39613 Cc1ncccc1COCC2CCCCCC2 7a_100000699130_100000732876 [0,1,0,0,0,0|3,0,0]=4 706 B18R2.39613 Cc1ncccc1COCC2CCCCCC2 7a_100000729262_200000696569 [0,1,0,0,0,0|3,0,0]=4 707 B18R2.39613 Cc1ncccc1CSCC2CCCCCC2 62a_100000732876_200000696569 [0,1,0,0,0,0|3,0,0]=4 708 B18R2.39613 Cc1ncccc1CSCC2CCCCCC2 62a_200000696569_100000732876 [0,1,0,0,0,0|3,0,0]=4 709 B18R2.39613 Clc1ccccc1CCNC2CCCCCC2 2230a_100000210984_100011713703 [0,1,0,0,0,0|0,0,0]=1 710 B18R2.39613 Clc1ccccc1CCNC2CCCCCC2 270004a_100000210984_200011713468 [0,1,0,0,0,0|0,0,0]=1 711 B18R2.39613 Clc1ccccc1CCNC2CCCCCC2 270004a_100011207228_100000210131 [0,1,0,0,0,0|0,0,0]=1 712 B18R2.39613 Clc1ccccc1CCNC2CCCCCC2 34a_100000210984_100011713703 [0,1,0,0,0,0|0,0,0]=1 713 B18R2.39613 Clc1ccccc1CCNC2CCCCCC2 34a_100011207228_100011217769 [0,1,0,0,0,0|0,0,0]=1 714 B18R2.39613 Clc1ccccc1CCNC2CCCNCC2 270004a_100011207228_100015187895 [0,1,0,0,0,0|1,0,0]=2 715 B18R2.39613 Clc1ccccc1CCNC2CSCCSC2 270004a_100011207228_100000068409 [0,1,0,0,0,0|2,0,0]=3 716 B18R2.39613 Clc1ccccc1CCOC2CCCCCC2 34a_100000210887_100011713703 [0,1,0,0,0,0|1,0,0]=2 717 B18R2.39613 Clc1ccccc1CCOC2CCCCCC2 34a_100011215284_100011217769 [0,1,0,0,0,0|1,0,0]=2 718 B18R2.39613 Clc1ccccc1CCOC2CCCCCC2 7a_100000210887_100011713703 [0,1,0,0,0,0|1,0,0]=2 719 B18R2.39613 Clc1ccccc1CCSC2CCCCCC2 62a_100011217769_100011713703 [0,1,0,0,0,0|1,0,0]=2 720 B18R2.39613 Clc1ccccc1CCSC2CCCCCC2 62a_100011713703_100011217769 [0,1,0,0,0,0|1,0,0]=2 721 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 207a_100015204231_100000210073 [0,1,0,0,0,0|2,0,0]=3 722 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 2230a_100000174879_200000696569 [0,1,0,0,0,0|2,0,0]=3 723 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000187162 [0,1,0,0,0,0|2,0,0]=3 724 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 269862a_100000174879_200000763224 [0,1,0,0,0,0|2,0,0]=3 725 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100000210073 [0,1,0,0,0,0|2,0,0]=3 726 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 34a_100000174879_200000696569 [0,1,0,0,0,0|2,0,0]=3 727 B18R2.39613 Clc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000187162 [0,1,0,0,0,0|2,0,0]=3 728 B18R2.39613 Clc1ccccc1CNN=C2CCCCCC2 4a_100015187261_100000210131 [0,1,0,0,0,0|1,0,2]=4 729 B18R2.39613 Clc1ccccc1COCC2CCCCCC2 34a_100000210847_200000696569 [0,1,0,0,0,0|2,0,0]=3 730 B18R2.39613 Clc1ccccc1COCC2CCCCCC2 34a_100000699130_100000187162 [0,1,0,0,0,0|2,0,0]=3 731 B18R2.39613 Clc1ccccc1COCC2CCCCCC2 7a_100000210847_200000696569 [0,1,0,0,0,0|2,0,0]=3 732 B18R2.39613 Clc1ccccc1COCC2CCCCCC2 7a_100000699130_100000187162 [0,1,0,0,0,0|2,0,0]=3 733 B18R2.39613 Clc1ccccc1CSCC2CCCCCC2 62a_100000187162_200000696569 [0,1,0,0,0,0|2,0,0]=3 734 B18R2.39613 Clc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000187162 [0,1,0,0,0,0|2,0,0]=3 735 B18R2.39613 Clc1ccccc1NN=CC2CCCCCC2 4a_100000683529_200000763224 [0,1,0,0,0,0|3,0,0]=4 736 B18R2.39613 Clc1ccccc1OCCN2CCCCCC2 7a_100000210172_100000722644 [0,1,0,0,0,0|3,0,0]=4 737 B18R2.39613 Clc1ccccc1SCCN2CCCCCC2 62a_100000722644_100000764095 [0,1,0,0,0,0|3,0,0]=4 738 B18R2.39613 Clc1ccccc1SCCN2CCCCCC2 62a_100000764095_100000722644 [0,1,0,0,0,0|3,0,0]=4 739 B18R2.39613 Clc1cccnc1CNCC2CCCCCC2 207a_100015204231_100012001307 [0,1,0,0,0,0|3,0,0]=4 740 B18R2.39613 Clc1cccnc1CNCC2CCCCCC2 2230a_100015189233_200000696569 [0,1,0,0,0,0|3,0,0]=4 741 B18R2.39613 Clc1cccnc1CNCC2CCCCCC2 2230a_100015204231_100000099807 [0,1,0,0,0,0|3,0,0]=4 742 B18R2.39613 Clc1cccnc1CNCC2CCCCCC2 270004a_100015204231_100012001307 [0,1,0,0,0,0|3,0,0]=4 743 B18R2.39613 Clc1cccnc1COCC2CCCCCC2 34a_100012002383_200000696569 [0,1,0,0,0,0|3,0,0]=4 744 B18R2.39613 Clc1cccnc1COCC2CCCCCC2 7a_100000699130_100000099807 [0,1,0,0,0,0|3,0,0]=4 745 B18R2.39613 Clc1cccnc1CSCC2CCCCCC2 62a_100000099807_200000696569 [0,1,0,0,0,0|3,0,0]=4 746 B18R2.39613 Clc1cccnc1CSCC2CCCCCC2 62a_200000696569_100000099807 [0,1,0,0,0,0|3,0,0]=4 747 B18R2.39613 Clc1ccncc1CNCC2CCCCCC2 270004a_100015204231_100000050567 [0,1,0,0,0,0|3,0,0]=4 748 B18R2.39613 Clc1ccncc1COCC2CCCCCC2 34a_100000117392_200000696569 [0,1,0,0,0,0|3,0,0]=4 749 B18R2.39613 Clc1cnccc1CNCC2CCCCCC2 207a_100015204231_100011934409 [0,1,0,0,0,0|3,0,0]=4 750 B18R2.39613 Clc1cnccc1CNCC2CCCCCC2 2230a_100015204231_100000763264 [0,1,0,0,0,0|3,0,0]=4 751 B18R2.39613 Clc1cnccc1CNCC2CCCCCC2 270004a_100015204231_100011934409 [0,1,0,0,0,0|3,0,0]=4 752 B18R2.39613 Clc1cnccc1COCC2CCCCCC2 7a_100000699130_100000763264 [0,1,0,0,0,0|3,0,0]=4 753 B18R2.39613 Clc1cnccc1CSCC2CCCCCC2 62a_100000763264_200000696569 [0,1,0,0,0,0|3,0,0]=4 754 B18R2.39613 Clc1cnccc1CSCC2CCCCCC2 62a_200000696569_100000763264 [0,1,0,0,0,0|3,0,0]=4 755 B18R2.39613 Clc1ncccc1CNCC2CCCCCC2 2230a_100015189234_200000696569 [0,1,0,0,0,0|3,0,0]=4 756 B18R2.39613 Clc1ncccc1CNCC2CCCCCC2 2230a_100015204231_100000045678 [0,1,0,0,0,0|3,0,0]=4 757 B18R2.39613 Clc1ncccc1CNCC2CCCCCC2 269862a_100015189234_200000763224 [0,1,0,0,0,0|3,0,0]=4 758 B18R2.39613 Clc1ncccc1CNCC2CCCCCC2 34a_100015189234_200000696569 [0,1,0,0,0,0|3,0,0]=4 759 B18R2.39613 Clc1ncccc1CNCC2CCCCCC2 34a_100015204231_100000045678 [0,1,0,0,0,0|3,0,0]=4 760 B18R2.39613 Clc1ncccc1COCC2CCCCCC2 34a_100000699130_100000045678 [0,1,0,0,0,0|3,0,0]=4 761 B18R2.39613 Clc1ncccc1COCC2CCCCCC2 34a_100000748726_200000696569 [0,1,0,0,0,0|3,0,0]=4 762 B18R2.39613 Clc1ncccc1COCC2CCCCCC2 7a_100000699130_100000045678 [0,1,0,0,0,0|3,0,0]=4 763 B18R2.39613 Clc1ncccc1COCC2CCCCCC2 7a_100000748726_200000696569 [0,1,0,0,0,0|3,0,0]=4 764 B18R2.39613 Clc1ncccc1CSCC2CCCCCC2 62a_100000045678_200000696569 [0,1,0,0,0,0|3,0,0]=4 765 B18R2.39613 Clc1ncccc1CSCC2CCCCCC2 62a_200000696569_100000045678 [0,1,0,0,0,0|3,0,0]=4 766 B18R2.39613 Fc1ccccc1CCNC2CCCCCC2 2230a_100000210984_100011713696 [0,1,0,0,0,0|0,0,0]=1 767 B18R2.39613 Fc1ccccc1CCNC2CCCCCC2 270004a_100000185272_100000210131 [0,1,0,0,0,0|0,0,0]=1 768 B18R2.39613 Fc1ccccc1CCNC2CCCCCC2 34a_100000185272_100011217769 [0,1,0,0,0,0|0,0,0]=1 769 B18R2.39613 Fc1ccccc1CCNC2CCCCCC2 34a_100000210984_100000720011 [0,1,0,0,0,0|0,0,0]=1 770 B18R2.39613 Fc1ccccc1CCNC2CCCNCC2 270004a_100000185272_100015187895 [0,1,0,0,0,0|1,0,0]=2 771 B18R2.39613 Fc1ccccc1CCNC2CSCCSC2 270004a_100000185272_100000068409 [0,1,0,0,0,0|2,0,0]=3 772 B18R2.39613 Fc1ccccc1CCOC2CCCCCC2 34a_100000210887_100000720011 [0,1,0,0,0,0|1,0,0]=2 773 B18R2.39613 Fc1ccccc1CCOC2CCCCCC2 34a_100000753711_100011217769 [0,1,0,0,0,0|1,0,0]=2 774 B18R2.39613 Fc1ccccc1CCOC2CCCCCC2 7a_100000210887_100000720011 [0,1,0,0,0,0|1,0,0]=2 775 B18R2.39613 Fc1ccccc1CCSC2CCCCCC2 62a_100011217769_100011713696 [0,1,0,0,0,0|1,0,0]=2 776 B18R2.39613 Fc1ccccc1CCSC2CCCCCC2 62a_100011713696_100011217769 [0,1,0,0,0,0|1,0,0]=2 777 B18R2.39613 Fc1ccccc1CNCC2CCCCCC2 207a_100015204231_100000210811 [0,1,0,0,0,0|2,0,0]=3 778 B18R2.39613 Fc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000211605 [0,1,0,0,0,0|2,0,0]=3 779 B18R2.39613 Fc1ccccc1CNCC2CCCCCC2 269862a_100000174869_200000763224 [0,1,0,0,0,0|2,0,0]=3 780 B18R2.39613 Fc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100000210811 [0,1,0,0,0,0|2,0,0]=3 781 B18R2.39613 Fc1ccccc1CNCC2CCCCCC2 34a_100000174869_200000696569 [0,1,0,0,0,0|2,0,0]=3 782 B18R2.39613 Fc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000211605 [0,1,0,0,0,0|2,0,0]=3 783 B18R2.39613 Fc1ccccc1CNN=C2CCCCCC2 4a_100015200773_100000210131 [0,1,0,0,0,0|1,0,2]=4 784 B18R2.39613 Fc1ccccc1COCC2CCCCCC2 34a_100000211962_200000696569 [0,1,0,0,0,0|2,0,0]=3 785 B18R2.39613 Fc1ccccc1COCC2CCCCCC2 34a_100000699130_100000211605 [0,1,0,0,0,0|2,0,0]=3 786 B18R2.39613 Fc1ccccc1COCC2CCCCCC2 7a_100000211962_200000696569 [0,1,0,0,0,0|2,0,0]=3 787 B18R2.39613 Fc1ccccc1COCC2CCCCCC2 7a_100000699130_100000211605 [0,1,0,0,0,0|2,0,0]=3 788 B18R2.39613 Fc1ccccc1CSCC2CCCCCC2 62a_100000211605_200000696569 [0,1,0,0,0,0|2,0,0]=3 789 B18R2.39613 Fc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000211605 [0,1,0,0,0,0|2,0,0]=3 790 B18R2.39613 Fc1ccccc1NN=CC2CCCCCC2 4a_100000239246_200000763224 [0,1,0,0,0,0|3,0,0]=4 791 B18R2.39613 Fc1ccccc1OCCN2CCCCCC2 2230a_100000185865_100000183290 [0,1,0,0,0,0|3,0,0]=4 792 B18R2.39613 Fc1ccccc1OCCN2CCCCCC2 269982a_100000185865_100000183290 [0,1,0,0,0,0|3,0,0]=4 793 B18R2.39613 Fc1ccccc1OCCN2CCCCCC2 34a_100000185865_100000183290 [0,1,0,0,0,0|3,0,0]=4 794 B18R2.39613 Fc1ccccc1OCCN2CCCCCC2 7a_100000210171_100000722644 [0,1,0,0,0,0|3,0,0]=4 795 B18R2.39613 Fc1ccccc1SCCN2CCCCCC2 62a_100000722644_100011215700 [0,1,0,0,0,0|3,0,0]=4 796 B18R2.39613 Fc1ccccc1SCCN2CCCCCC2 62a_100011215700_100000722644 [0,1,0,0,0,0|3,0,0]=4 797 B18R2.39613 Fc1cccnc1CNCC2CCCCCC2 207a_100015204231_100011934734 [0,1,0,0,0,0|3,0,0]=4 798 B18R2.39613 Fc1cccnc1CNCC2CCCCCC2 2230a_100015204231_100000104219 [0,1,0,0,0,0|3,0,0]=4 799 B18R2.39613 Fc1cccnc1CNCC2CCCCCC2 270004a_100015204231_100011934734 [0,1,0,0,0,0|3,0,0]=4 800 B18R2.39613 Fc1cccnc1CNCC2CCCCCC2 34a_100000690088_200000696569 [0,1,0,0,0,0|3,0,0]=4 801 B18R2.39613 Fc1cccnc1CNCC2CCCCCC2 34a_100015204231_100000104219 [0,1,0,0,0,0|3,0,0]=4 802 B18R2.39613 Fc1cccnc1COCC2CCCCCC2 34a_100000699130_100000104219 [0,1,0,0,0,0|3,0,0]=4 803 B18R2.39613 Fc1cccnc1COCC2CCCCCC2 34a_100011934865_200000696569 [0,1,0,0,0,0|3,0,0]=4 804 B18R2.39613 Fc1cccnc1COCC2CCCCCC2 7a_100000699130_100000104219 [0,1,0,0,0,0|3,0,0]=4 805 B18R2.39613 Fc1cccnc1CSCC2CCCCCC2 62a_100000104219_200000696569 [0,1,0,0,0,0|3,0,0]=4 806 B18R2.39613 Fc1cccnc1CSCC2CCCCCC2 62a_200000696569_100000104219 [0,1,0,0,0,0|3,0,0]=4 807 B18R2.39613 Fc1cnccc1CNCC2CCCCCC2 269862a_100011935246_200000763224 [0,1,0,0,0,0|3,0,0]=4 808 B18R2.39613 Fc1cnccc1CNCC2CCCCCC2 34a_100011935246_200000696569 [0,1,0,0,0,0|3,0,0]=4 809 B18R2.39613 Fc1cnccc1COCC2CCCCCC2 34a_100012172863_200000696569 [0,1,0,0,0,0|3,0,0]=4 810 B18R2.39613 Fc1cnccc1NCCC2CCCCCC2 27a_100011532351_100000035921 [0,1,0,0,0,0|3,0,0]=4 811 B18R2.39613 Fc1ncccc1CNCC2CCCCCC2 2230a_100015204231_100000099810 [0,1,0,0,0,0|3,0,0]=4 812 B18R2.39613 Fc1ncccc1CNCC2CCCCCC2 269862a_100000724633_200000763224 [0,1,0,0,0,0|3,0,0]=4 813 B18R2.39613 Fc1ncccc1CNCC2CCCCCC2 34a_100000724633_200000696569 [0,1,0,0,0,0|3,0,0]=4 814 B18R2.39613 Fc1ncccc1CNCC2CCCCCC2 34a_100015204231_100000099810 [0,1,0,0,0,0|3,0,0]=4 815 B18R2.39613 Fc1ncccc1COCC2CCCCCC2 34a_100000079888_200000696569 [0,1,0,0,0,0|3,0,0]=4 816 B18R2.39613 Fc1ncccc1COCC2CCCCCC2 34a_100000699130_100000099810 [0,1,0,0,0,0|3,0,0]=4 817 B18R2.39613 Fc1ncccc1COCC2CCCCCC2 7a_100000079888_200000696569 [0,1,0,0,0,0|3,0,0]=4 818 B18R2.39613 Fc1ncccc1COCC2CCCCCC2 7a_100000699130_100000099810 [0,1,0,0,0,0|3,0,0]=4 819 B18R2.39613 Fc1ncccc1CSCC2CCCCCC2 62a_100000099810_200000696569 [0,1,0,0,0,0|3,0,0]=4 820 B18R2.39613 Fc1ncccc1CSCC2CCCCCC2 62a_200000696569_100000099810 [0,1,0,0,0,0|3,0,0]=4 821 B18R2.39613 Ic1ccccc1CCOC2CCCCCC2 34a_100010255290_100011217769 [0,1,0,0,0,0|1,0,0]=2 822 B18R2.39613 Ic1ccccc1CNCC2CCCCCC2 207a_100015204231_100000010305 [0,1,0,0,0,0|2,0,0]=3 823 B18R2.39613 Ic1ccccc1CNCC2CCCCCC2 2230a_100015204231_100011215278 [0,1,0,0,0,0|2,0,0]=3 824 B18R2.39613 Ic1ccccc1CNCC2CCCCCC2 269862a_100015347259_200000763224 [0,1,0,0,0,0|2,0,0]=3 825 B18R2.39613 Ic1ccccc1CNCC2CCCCCC2 270004a_100015204231_100000010305 [0,1,0,0,0,0|2,0,0]=3 826 B18R2.39613 Ic1ccccc1CNCC2CCCCCC2 34a_100015204231_100011215278 [0,1,0,0,0,0|2,0,0]=3 827 B18R2.39613 Ic1ccccc1COCC2CCCCCC2 34a_100000187465_200000696569 [0,1,0,0,0,0|2,0,0]=3 828 B18R2.39613 Ic1ccccc1COCC2CCCCCC2 34a_100000699130_100011215278 [0,1,0,0,0,0|2,0,0]=3 829 B18R2.39613 Ic1ccccc1COCC2CCCCCC2 7a_100000187465_200000696569 [0,1,0,0,0,0|2,0,0]=3 830 B18R2.39613 Ic1ccccc1COCC2CCCCCC2 7a_100000699130_100011215278 [0,1,0,0,0,0|2,0,0]=3 831 B18R2.39613 Ic1ccccc1CSCC2CCCCCC2 62a_100011216222_200000696569 [0,1,0,0,0,0|2,0,0]=3 832 B18R2.39613 Ic1ccccc1CSCC2CCCCCC2 62a_200000696569_100011216222 [0,1,0,0,0,0|2,0,0]=3 833 B18R2.39613 Ic1ccccc1NN=CC2CCCCCC2 4a_100011218156_200000763224 [0,1,0,0,0,0|3,0,0]=4 834 B18R2.39613 Ic1ccccc1OCCN2CCCCCC2 7a_100000739446_100000722644 [0,1,0,0,0,0|3,0,0]=4 835 B18R2.39613 Nc1ccccc1CCOC2CCCCCC2 34a_100011215289_100011217769 [0,1,0,0,0,0|1,0,0]=2 836 B18R2.39613 Nc1ccccc1COCC2CCCCCC2 34a_100000212039_200000696569 [0,1,0,0,0,0|2,0,0]=3 837 B18R2.39613 Nc1ccccc1OCCN2CCCCCC2 7a_100000185747_100000722644 [0,1,0,0,0,0|3,0,0]=4 838 B18R2.39613 Nc1ccccc1SCCN2CCCCCC2 62a_100000210017_100000722644 [0,1,0,0,0,0|3,0,0]=4 839 B18R2.39613 Nc1ccccc1SCCN2CCCCCC2 62a_100000722644_100000210017 [0,1,0,0,0,0|3,0,0]=4 840 B18R2.39613 Nc1cccnc1COCC2CCCCCC2 34a_114873767017_200000696569 [0,1,0,0,0,0|3,0,0]=4 841 B18R2.39613 Oc1ccccc1CCNC2CCCCCC2 270004a_100011207237_100000210131 [0,1,0,0,0,0|0,0,0]=1 842 B18R2.39613 Oc1ccccc1CCNC2CCCCCC2 34a_100000210984_100000722297 [0,1,0,0,0,0|0,0,0]=1 843 B18R2.39613 Oc1ccccc1CCNC2CCCCCC2 34a_100011207237_100011217769 [0,1,0,0,0,0|0,0,0]=1 844 B18R2.39613 Oc1ccccc1CCNC2CCCNCC2 270004a_100011207237_100015187895 [0,1,0,0,0,0|1,0,0]=2 845 B18R2.39613 Oc1ccccc1CCNC2CSCCSC2 270004a_100011207237_100000068409 [0,1,0,0,0,0|2,0,0]=3 846 B18R2.39613 Oc1ccccc1CCOC2CCCCCC2 34a_100000210887_100000722297 [0,1,0,0,0,0|1,0,0]=2 847 B18R2.39613 Oc1ccccc1CCOC2CCCCCC2 7a_100000210887_100000722297 [0,1,0,0,0,0|1,0,0]=2 848 B18R2.39613 Oc1ccccc1CCSC2CCCCCC2 62a_100000722297_100011217769 [0,1,0,0,0,0|1,0,0]=2 849 B18R2.39613 Oc1ccccc1CCSC2CCCCCC2 62a_100011217769_100000722297 [0,1,0,0,0,0|1,0,0]=2 850 B18R2.39613 Oc1ccccc1CNCC2CCCCCC2 269862a_100000185550_200000763224 [0,1,0,0,0,0|2,0,0]=3 851 B18R2.39613 Oc1ccccc1CNCC2CCCCCC2 34a_100000185550_200000696569 [0,1,0,0,0,0|2,0,0]=3 852 B18R2.39613 Oc1ccccc1SCCN2CCCCCC2 62a_100000722644_100000739446 [0,1,0,0,0,0|3,0,0]=4 853 B18R2.39613 Oc1ccccc1SCCN2CCCCCC2 62a_100000739446_100000722644 [0,1,0,0,0,0|3,0,0]=4 854 B18R2.39613 Oc1cccnc1CNCC2CCCCCC2 34a_100015204231_200020655725 [0,1,0,0,0,0|3,0,0]=4 855 B18R2.39613 Oc1cccnc1COCC2CCCCCC2 34a_100000699130_200020655725 [0,1,0,0,0,0|3,0,0]=4 856 B18R2.39613 Oc1cccnc1COCC2CCCCCC2 7a_100000699130_200020655725 [0,1,0,0,0,0|3,0,0]=4 857 B18R2.39613 Oc1cccnc1CSCC2CCCCCC2 62a_200000696569_200020655725 [0,1,0,0,0,0|3,0,0]=4 858 B18R2.39613 Oc1cccnc1CSCC2CCCCCC2 62a_200020655725_200000696569 [0,1,0,0,0,0|3,0,0]=4 859 B18R2.39613 Oc1ncccc1CNCC2CCCCCC2 207a_100015204231_100011998315 [0,1,0,0,0,0|3,0,0]=4 860 B18R2.39613 Oc1ncccc1CNCC2CCCCCC2 270004a_100015204231_100011998315 [0,1,0,0,0,0|3,0,0]=4 861 B18R2.72590 CC(C[n+]1ccccc1)NC2CCCCCC2 270004a_100000210984_100000034229 [0,1,0,0,0,0|1,0,0]=2 862 B18R2.72590 CC(Cc1ccccc1)NC2CCCCCC2 34a_100000210984_200011218536 [0,1,0,0,0,0|0,0,0]=1 863 B18R2.72590 CC(Cc1ccccc1)OC2CCCCCC2 34a_100000210887_200011218536 [0,1,0,0,0,0|1,0,0]=2 864 B18R2.72590 CC(Cc1ccccc1)OC2CCCCCC2 34a_100000748627_100011217769 [0,1,0,0,0,0|1,0,0]=2 865 B18R2.72590 CC(Cc1ccccc1)OC2CCCCCC2 7a_100000210887_200011218536 [0,1,0,0,0,0|1,0,0]=2 866 B18R2.72590 CC(Cc1ccccc1)SC2CCCCCC2 62a_100011217769_200011218536 [0,1,0,0,0,0|1,0,0]=2 867 B18R2.72590 CC(Cc1ccccc1)SC2CCCCCC2 62a_200011218536_100011217769 [0,1,0,0,0,0|1,0,0]=2 868 B18R2.72590 CC(Cc1ccccn1)NC2CCCCCC2 270004a_100000238496_100000210131 [0,1,0,0,0,0|1,0,0]=2 869 B18R2.72590 CC(Cc1ccccn1)NC2CCCNCC2 270004a_100000238496_100015187895 [0,1,0,0,0,0|2,0,0]=3 870 B18R2.72590 CC(Cc1ccccn1)NC2CSCCSC2 270004a_100000238496_100000068409 [0,1,0,0,0,0|3,0,0]=4 871 B18R2.72590 CC(Cc1cccnc1)NC2CCCCCC2 270004a_100000210984_100015187140 [0,1,0,0,0,0|1,0,0]=2 872 B18R2.72590 CC(Cc1cccnc1)NC2CCCCCC2 270004a_100011207255_100000210131 [0,1,0,0,0,0|1,0,0]=2 873 B18R2.72590 CC(Cc1cccnc1)NC2CCCNCC2 270004a_100011207255_100015187895 [0,1,0,0,0,0|2,0,0]=3 874 B18R2.72590 CC(Cc1cccnc1)NC2CSCCSC2 270004a_100011207255_100000068409 [0,1,0,0,0,0|3,0,0]=4 875 B18R2.72590 CC(Cc1ccncc1)NC2CCCCCC2 270004a_100000210984_100000238508 [0,1,0,0,0,0|1,0,0]=2 876 B18R2.72590 CC(Cc1cnccn1)NC2CCCCCC2 270004a_100000210984_100015184882 [0,1,0,0,0,0|2,0,0]=3 877 B18R2.72590 CC(Cc1cnccn1)NC2CCCCCC2 270004a_100011277835_100000210131 [0,1,0,0,0,0|2,0,0]=3 878 B18R2.72590 CC(Cc1cnccn1)NC2CCCNCC2 270004a_100011277835_100015187895 [0,1,0,0,0,0|3,0,0]=4 879 B18R2.72590 CN(Cc1ccccc1)CC2CCCCCC2 2230a_100000186898_200000696569 [0,1,0,0,0,0|2,0,0]=3 880 B18R2.72590 CN(Cc1ccccc1)CC2CCCCCC2 269982a_100000186898_200000696569 [0,1,0,0,0,0|2,0,0]=3 881 B18R2.72590 CN(Cc1ccccn1)CC2CCCCCC2 2230a_100000207498_200000696569 [0,1,0,0,0,0|3,0,0]=4 882 B18R2.72590 CN(Cc1ccccn1)CC2CCCCCC2 269982a_100000207498_200000696569 [0,1,0,0,0,0|3,0,0]=4 883 B18R2.72590 CN(Cc1cccnc1)CC2CCCCCC2 2230a_100000184577_200000696569 [0,1,0,0,0,0|3,0,0]=4 884 B18R2.72590 CN(Cc1cccnc1)CC2CCCCCC2 269982a_100000184577_200000696569 [0,1,0,0,0,0|3,0,0]=4 885 B18R2.72590 CN(Cc1ccncc1)CC2CCCCCC2 2230a_100000187231_200000696569 [0,1,0,0,0,0|3,0,0]=4 886 B18R2.72590 CN(Cc1ccncc1)CC2CCCCCC2 269982a_100000187231_200000696569 [0,1,0,0,0,0|3,0,0]=4 887 B18R2.72590 O=C(C=C1CCCCCC1)Cc2ccccc2 1458a_100011240665_100015291786 [0,1,0,0,0,0|1,0,2]=4 888 B18R2.72590 O=C(CC1CCCCCC1)C[n+]2ccccc2 1458a_200000086051_200000696569 [0,1,0,0,0,0|2,0,1]=4 889 B18R2.72590 O=C(CC1CCCCCC1)Nc2ccccc2 11a_100000106764_100000685095 [0,1,0,0,0,0|2,0,1]=4 890 B18R2.72590 O=C(CC1CCCCCC1)Nc2ccccc2 1626a_100000106764_100000685095 [0,1,0,0,0,0|2,0,1]=4 891 B18R2.72590 O=C(CC1CCCCCC1)Nc2ccccc2 22a_100000106764_100000685095 [0,1,0,0,0,0|2,0,1]=4 892 B18R2.72590 O=C(CC1CCCCCC1)Nc2ccccc2 527a_100000106764_100000685095 [0,1,0,0,0,0|2,0,1]=4 893 B18R2.72590 O=C(C[n+]1ccccc1)NC2CCCCCC2 11a_100000210984_200000086051 [0,1,0,0,0,0|1,0,1]=3 894 B18R2.72590 O=C(C[n+]1ccccc1)NC2CCCCCC2 240690a_100000210984_200000086051 [0,1,0,0,0,0|1,0,1]=3 895 B18R2.72590 O=C(C[n+]1ccccc1)NC2CCCCCC2 527a_100000210984_200000086051 [0,1,0,0,0,0|1,0,1]=3 896 B18R2.72590 O=C(Cc1ccccc1)CC2CCCCCC2 1458a_100000685095_100015291786 [0,1,0,0,0,0|1,0,1]=3 897 B18R2.72590 O=C(Cc1ccccc1)CN2CCCCCC2 1458a_100000740298_100015291786 [0,1,0,0,0,0|2,0,1]=4 898 B18R2.72590 O=C(Cc1ccccc1)CN2CCCCCC2 2230a_100000185865_100000233483 [0,1,0,0,0,0|2,0,1]=4 899 B18R2.72590 O=C(Cc1ccccc1)CN2CCCCCC2 269982a_100000185865_100000233483 [0,1,0,0,0,0|2,0,1]=4 900 B18R2.72590 O=C(Cc1ccccn1)CC2CCCCCC2 1458a_100000233486_200000696569 [0,1,0,0,0,0|2,0,1]=4 901 B18R2.72590 O=C(Cc1ccccn1)CC2CCCCCC2 1458a_100000685095_100000721315 [0,1,0,0,0,0|2,0,1]=4 902 B18R2.72590 O=C(Cc1ccccn1)NC2CCCCCC2 11a_100000210984_100000233486 [0,1,0,0,0,0|1,0,1]=3 903 B18R2.72590 O=C(Cc1cccnc1)CC2CCCCCC2 1458a_100000685095_100000733263 [0,1,0,0,0,0|2,0,1]=4 904 B18R2.72590 O=C(Cc1cccnc1)CC2CCCCCC2 1458a_100000737805_200000696569 [0,1,0,0,0,0|2,0,1]=4 905 B18R2.72590 O=C(Cc1cccnc1)NC2CCCCCC2 11a_100000210984_100000737805 [0,1,0,0,0,0|1,0,1]=3 906 B18R2.72590 O=C(Cc1cccnc1)NC2CCCCCC2 240690a_100000210984_100000737805 [0,1,0,0,0,0|1,0,1]=3 907 B18R2.72590 O=C(Cc1cccnc1)NC2CCCCCC2 527a_100000210984_100000737805 [0,1,0,0,0,0|1,0,1]=3 908 B18R2.72590 O=C(Cc1ccncc1)CC2CCCCCC2 1458a_100000685095_100000705612 [0,1,0,0,0,0|2,0,1]=4 909 B18R2.72590 O=C(Cc1ccncc1)NC2CCCCCC2 11a_100000210984_100011201483 [0,1,0,0,0,0|1,0,1]=3 910 B18R2.72590 O=C(Cc1ccncc1)NC2CCCCCC2 240690a_100000210984_100011201483 [0,1,0,0,0,0|1,0,1]=3 911 B18R2.72590 O=C(Cc1cnccn1)NC2CCCCCC2 11a_100000210984_100000726051 [0,1,0,0,0,0|2,0,1]=4 912 B18R2.72590 O=C(Cc1cnccn1)NC2CCCCCC2 240690a_100000210984_100000726051 [0,1,0,0,0,0|2,0,1]=4 913 B18R2.72590 O=C(Cc1cnccn1)NC2CCCCCC2 527a_100000210984_100000726051 [0,1,0,0,0,0|2,0,1]=4 914 B18R2.72590 O=C(Cc1cncnc1)NC2CCCCCC2 11a_100000210984_100000721575 [0,1,0,0,0,0|2,0,1]=4 915 B18R2.72590 O=C(Cc1cncnc1)NC2CCCCCC2 240690a_100000210984_100000721575 [0,1,0,0,0,0|2,0,1]=4 916 B18R2.72590 O=C(Cc1cncnc1)NC2CCCCCC2 527a_100000210984_100000721575 [0,1,0,0,0,0|2,0,1]=4 917 B18R2.72590 O=C(Nc1ccccc1)NC2CCCCCC2 2430a_100000106764_100000210984 [0,1,0,0,0,0|1,0,1]=3 918 B18R2.72590 O[C@@H](Cc1ccccc1)CN2CCCCCC2 2230a_100000185865_100000729385 [0,1,0,0,0,0|2,0,0]=3 919 B18R2.72590 O[C@@H](Cc1ccccc1)CN2CCCCCC2 269982a_100000185865_100000729385 [0,1,0,0,0,0|2,0,0]=3 920 B18R2.72590 O[C@@H](Cc1ccccc1)CN2CCCCCC2 34a_100000185865_100000729385 [0,1,0,0,0,0|2,0,0]=3 921 B18R2.72590 O[C@@H](Cc1ccccc1)CN2CCCOCC2 2230a_100000685342_100000729385 [0,1,0,0,0,0|3,0,0]=4 922 B18R2.72590 O[C@@H](Cc1ccccc1)CN2CCCOCC2 269982a_100000685342_100000729385 [0,1,0,0,0,0|3,0,0]=4 923 B18R2.72590 O[C@@H](Cc1ccccc1)CN2CCCOCC2 34a_100000685342_100000729385 [0,1,0,0,0,0|3,0,0]=4 924 B18R2.72819 CC(CCN1CCCCCC1)c2ccccc2 270004a_100000185865_100000189432 [0,1,0,0,0,0|2,0,0]=3 925 B18R2.72819 CC(CCN1CCCOCC1)c2ccccc2 270004a_100000685342_100000189432 [0,1,0,0,0,0|3,0,0]=4 926 B18R2.72819 CC(CNC1CCCCCC1)c2ccccc2 2230a_100000210984_100000756946 [0,1,0,0,0,0|0,0,0]=1 927 B18R2.72819 CC(CNC1CCCCCC1)c2ccccc2 270004a_100000210984_100000212034 [0,1,0,0,0,0|0,0,0]=1 928 B18R2.72819 CC(CNC1CCCCCC1)c2ccccc2 270004a_100000701038_100000210131 [0,1,0,0,0,0|0,0,0]=1 929 B18R2.72819 CC(CNC1CCCCCC1)c2ccccc2 34a_100000210984_100000756946 [0,1,0,0,0,0|0,0,0]=1 930 B18R2.72819 CC(CNC1CCCCCC1)c2ccccc2 34a_100000701038_100011217769 [0,1,0,0,0,0|0,0,0]=1 931 B18R2.72819 CC(CNC1CCCNCC1)c2ccccc2 270004a_100000701038_100015187895 [0,1,0,0,0,0|1,0,0]=2 932 B18R2.72819 CC(CNC1CSCCSC1)c2ccccc2 270004a_100000701038_100000068409 [0,1,0,0,0,0|2,0,0]=3 933 B18R2.72819 CC(COC1CCCCCC1)c2ccccc2 34a_100000210887_100000756946 [0,1,0,0,0,0|1,0,0]=2 934 B18R2.72819 CC(COC1CCCCCC1)c2ccccc2 34a_100011215166_100011217769 [0,1,0,0,0,0|1,0,0]=2 935 B18R2.72819 CC(COC1CCCCCC1)c2ccccc2 7a_100000210887_100000756946 [0,1,0,0,0,0|1,0,0]=2 936 B18R2.72819 CC(CSC1CCCCCC1)c2ccccc2 62a_100000756946_100011217769 [0,1,0,0,0,0|1,0,0]=2 937 B18R2.72819 CC(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000756946 [0,1,0,0,0,0|1,0,0]=2 938 B18R2.72819 CC(NCC1CCCCCC1)c2ccccc2 2230a_100015204231_100000230085 [0,1,0,0,0,0|2,0,0]=3 939 B18R2.72819 CC(NCC1CCCCCC1)c2ccccc2 269862a_100015204231_100000185851 [0,1,0,0,0,0|2,0,0]=3 940 B18R2.72819 CC(NCC1CCCCCC1)c2ccccc2 34a_100015204231_100000211855 [0,1,0,0,0,0|2,0,0]=3 941 B18R2.72819 CC(NCC1CCCCCC1)c2ccccn2 2230a_100000181244_200000696569 [0,1,0,0,0,0|3,0,0]=4 942 B18R2.72819 CC(NCC1CCCCCC1)c2ccccn2 269862a_100000181244_200000763224 [0,1,0,0,0,0|3,0,0]=4 943 B18R2.72819 CC(NCC1CCCCCC1)c2ccccn2 269862a_100015204231_100000210467 [0,1,0,0,0,0|3,0,0]=4 944 B18R2.72819 CC(NCC1CCCCCC1)c2cccnc2 2230a_100000195435_200000696569 [0,1,0,0,0,0|3,0,0]=4 945 B18R2.72819 CC(NCC1CCCCCC1)c2cccnc2 269862a_100000195435_200000763224 [0,1,0,0,0,0|3,0,0]=4 946 B18R2.72819 CC(NCC1CCCCCC1)c2cccnc2 269862a_100015204231_100000210468 [0,1,0,0,0,0|3,0,0]=4 947 B18R2.72819 CC(NCC1CCCCCC1)c2ccncc2 2230a_100000181269_200000696569 [0,1,0,0,0,0|3,0,0]=4 948 B18R2.72819 CC(NCC1CCCCCC1)c2ccncc2 269862a_100000181269_200000763224 [0,1,0,0,0,0|3,0,0]=4 949 B18R2.72819 CC(NCC1CCCCCC1)c2ccncc2 269862a_100015204231_100000185792 [0,1,0,0,0,0|3,0,0]=4 950 B18R2.72819 CC(OCC1CCCCCC1)c2ccccc2 34a_100000699130_100000211855 [0,1,0,0,0,0|2,0,0]=3 951 B18R2.72819 CC(OCC1CCCCCC1)c2ccccc2 7a_100000699130_100000230085 [0,1,0,0,0,0|2,0,0]=3 952 B18R2.72819 CC(SCC1CCCCCC1)c2ccccc2 62a_100000230085_200000696569 [0,1,0,0,0,0|2,0,0]=3 953 B18R2.72819 CC(SCC1CCCCCC1)c2ccccc2 62a_200000696569_100000230085 [0,1,0,0,0,0|2,0,0]=3 954 B18R2.72819 CN(CCN1CCCCCC1)c2ccccc2 269982a_100000210012_100000722644 [0,1,0,0,0,0|3,0,0]=4 955 B18R2.72819 C[C@@H](NCC1CCCCCC1)c2ccccc2 2230a_100000751104_200000696569 [0,1,0,0,0,0|2,0,0]=3 956 B18R2.72819 C[C@@H](NCC1CCCCCC1)c2ccccc2 269862a_100000751104_200000763224 [0,1,0,0,0,0|2,0,0]=3 957 B18R2.72819 C[C@@H](OCC1CCCCCC1)c2ccccc2 34a_100000761318_200000696569 [0,1,0,0,0,0|2,0,0]=3 958 B18R2.72819 C[C@@H](OCC1CCCCCC1)c2ccccc2 7a_100000761318_200000696569 [0,1,0,0,0,0|2,0,0]=3 959 B18R2.72819 N[C@H](COC1CCCCCC1)c2ccccc2 34a_100000751927_100011217769 [0,1,0,0,0,0|1,0,0]=2 960 B18R2.72819 N[C@H](COC1CCCCCC1)c2ccncc2 34a_100138412524_100011217769 [0,1,0,0,0,0|2,0,0]=3 961 B18R2.72819 O=C(CCN1CCCCCC1)c2ccccc2 1458a_100000185807_100000722644 [0,1,0,0,0,0|2,0,1]=4 962 B18R2.72819 O=C(CCN1CCCCCC1)c2ccccc2 2230a_100000185865_100000750707 [0,1,0,0,0,0|2,0,1]=4 963 B18R2.72819 O=C(CCN1CCCCCC1)c2ccccc2 269982a_100000185865_100000750707 [0,1,0,0,0,0|2,0,1]=4 964 B18R2.72819 O=C(CNC1CCCCCC1)c2ccccn2 34a_100000210984_100000027445 [0,1,0,0,0,0|1,0,1]=3 965 B18R2.72819 O=C(COC1CCCCCC1)c2ccccc2 7a_100000210887_100000211460 [0,1,0,0,0,0|1,0,1]=3 966 B18R2.72819 O=C(COC1CCCCCC1)c2ccccn2 34a_100000210887_100000027445 [0,1,0,0,0,0|2,0,1]=4 967 B18R2.72819 O=C(COC1CCCCCC1)c2ccccn2 7a_100000210887_100000027445 [0,1,0,0,0,0|2,0,1]=4 968 B18R2.72819 O=C(COC1CCCCCC1)c2ccncc2 7a_100000210887_100015248511 [0,1,0,0,0,0|2,0,1]=4 969 B18R2.72819 O=C(CSC1CCCCCC1)c2ccccc2 62a_100000211460_100011217769 [0,1,0,0,0,0|1,0,1]=3 970 B18R2.72819 O=C(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000211460 [0,1,0,0,0,0|1,0,1]=3 971 B18R2.72819 O=C(CSC1CCCCCC1)c2ccccn2 62a_100000027445_100011217769 [0,1,0,0,0,0|2,0,1]=4 972 B18R2.72819 O=C(CSC1CCCCCC1)c2ccccn2 62a_100011217769_100000027445 [0,1,0,0,0,0|2,0,1]=4 973 B18R2.72819 O=C(CSC1CCCCCC1)c2cccnc2 62a_100000757877_100011217769 [0,1,0,0,0,0|2,0,1]=4 974 B18R2.72819 O=C(CSC1CCCCCC1)c2cccnc2 62a_100011217769_100000757877 [0,1,0,0,0,0|2,0,1]=4 975 B18R2.72819 O=C(CSC1CCCCCC1)c2ccncc2 62a_100000027454_100011217769 [0,1,0,0,0,0|2,0,1]=4 976 B18R2.72819 O=C(CSC1CCCCCC1)c2ccncc2 62a_100011217769_100000027454 [0,1,0,0,0,0|2,0,1]=4 977 B18R2.72819 O=C(NCC1CCCCCC1)c2ccccc2 11a_100015204231_100000185807 [0,1,0,0,0,0|2,0,1]=4 978 B18R2.72819 O=C(NCC1CCCCCC1)c2ccccc2 1626a_100015204231_100000185807 [0,1,0,0,0,0|2,0,1]=4 979 B18R2.72819 O=C(NCC1CCCCCC1)c2ccccc2 240690a_100015204231_100000185807 [0,1,0,0,0,0|2,0,1]=4 980 B18R2.72819 O=C(NCC1CCCCCC1)c2ccccc2 527a_100015204231_100000185807 [0,1,0,0,0,0|2,0,1]=4 981 B18R2.72819 O=S(CCN1CCCCCC1)c2ccccc2 2230a_100000185865_100000740319 [0,1,0,0,0,0|3,0,0]=4 982 B18R2.72819 O=S(CCN1CCCCCC1)c2ccccc2 269982a_100000185865_100000740319 [0,1,0,0,0,0|3,0,0]=4 983 B18R2.72819 O=S(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000031784 [0,1,0,0,0,0|2,0,0]=3 984 B18R2.72819 OC(CNC1CCCCCC1)c2ccccc2 2230a_100000210984_100000185958 [0,1,0,0,0,0|0,0,0]=1 985 B18R2.72819 OC(CNC1CCCCCC1)c2ccccc2 270004a_100000210709_100000210131 [0,1,0,0,0,0|0,0,0]=1 986 B18R2.72819 OC(CNC1CCCCCC1)c2ccccc2 34a_100000210984_100000185958 [0,1,0,0,0,0|0,0,0]=1 987 B18R2.72819 OC(CNC1CCCCCC1)c2ccccn2 270004a_100000691469_100000210131 [0,1,0,0,0,0|1,0,0]=2 988 B18R2.72819 OC(CNC1CCCCCC1)c2cccnc2 270004a_100020605170_100000210131 [0,1,0,0,0,0|1,0,0]=2 989 B18R2.72819 OC(CNC1CCCNCC1)c2ccccc2 270004a_100000210709_100015187895 [0,1,0,0,0,0|1,0,0]=2 990 B18R2.72819 OC(CNC1CCCNCC1)c2ccccn2 270004a_100000691469_100015187895 [0,1,0,0,0,0|2,0,0]=3 991 B18R2.72819 OC(CNC1CCCNCC1)c2cccnc2 270004a_100020605170_100015187895 [0,1,0,0,0,0|2,0,0]=3 992 B18R2.72819 OC(CNC1CSCCSC1)c2ccccc2 270004a_100000210709_100000068409 [0,1,0,0,0,0|2,0,0]=3 993 B18R2.72819 OC(CNC1CSCCSC1)c2ccccn2 270004a_100000691469_100000068409 [0,1,0,0,0,0|3,0,0]=4 994 B18R2.72819 OC(CNC1CSCCSC1)c2cccnc2 270004a_100020605170_100000068409 [0,1,0,0,0,0|3,0,0]=4 995 B18R2.72819 OC(COC1CCCCCC1)c2ccccc2 34a_100000210887_100000185958 [0,1,0,0,0,0|1,0,0]=2 996 B18R2.72819 OC(COC1CCCCCC1)c2ccccc2 7a_100000210887_100000185958 [0,1,0,0,0,0|1,0,0]=2 997 B18R2.72819 OC(CSC1CCCCCC1)c2ccccc2 62a_100000185958_100011217769 [0,1,0,0,0,0|1,0,0]=2 998 B18R2.72819 OC(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000185958 [0,1,0,0,0,0|1,0,0]=2 999 B18R2.72819 O[C@H](CCN1CCCCCC1)c2ccccc2 2230a_100000185865_100000729684 [0,1,0,0,0,0|2,0,0]=3 1000 B18R2.72819 O[C@H](CCN1CCCCCC1)c2ccccc2 269982a_100000185865_100000729684 [0,1,0,0,0,0|2,0,0]=3 1001 B18R2.72819 O[C@H](CCN1CCCCCC1)c2ccccc2 34a_100000185865_100000729684 [0,1,0,0,0,0|2,0,0]=3 1002 B18R2.72819 O[C@H](CCN1CCCOCC1)c2ccccc2 2230a_100000685342_100000729684 [0,1,0,0,0,0|3,0,0]=4 1003 B18R2.72819 O[C@H](CCN1CCCOCC1)c2ccccc2 269982a_100000685342_100000729684 [0,1,0,0,0,0|3,0,0]=4 1004 B18R2.72819 O[C@H](CCN1CCCOCC1)c2ccccc2 34a_100000685342_100000729684 [0,1,0,0,0,0|3,0,0]=4 1005 B18R2.72819 O[C@H](CNC1CCCCCC1)c2ccccc2 2230a_100000210984_100011933945 [0,1,0,0,0,0|0,0,0]=1 1006 B18R2.72819 O[C@H](CNC1CCCCCC1)c2ccccc2 34a_100000210984_100011933945 [0,1,0,0,0,0|0,0,0]=1 1007 B18R2.72819 O[C@H](COC1CCCCCC1)c2ccccc2 34a_100000210887_100011933945 [0,1,0,0,0,0|1,0,0]=2 1008 B18R2.72819 O[C@H](COC1CCCCCC1)c2ccccc2 7a_100000210887_100011933945 [0,1,0,0,0,0|1,0,0]=2 1009 B18R2.72819 O[C@H](CSC1CCCCCC1)c2ccccc2 62a_100011217769_100011933945 [0,1,0,0,0,0|1,0,0]=2 1010 B18R2.72819 O[C@H](CSC1CCCCCC1)c2ccccc2 62a_100011933945_100011217769 [0,1,0,0,0,0|1,0,0]=2 1011 B18R2.94225 Brc1ccc(cc1)CCCN2CCCCCC2 2230a_100000185865_100011713682 [0,1,0,0,0,0|2,0,0]=3 1012 B18R2.94225 Brc1ccc(cc1)CCCN2CCCCCC2 269982a_100000185865_100011713682 [0,1,0,0,0,0|2,0,0]=3 1013 B18R2.94225 Brc1ccc(cc1)CCCN2CCCCCC2 34a_100000185865_100011713682 [0,1,0,0,0,0|2,0,0]=3 1014 B18R2.94225 Brc1ccc(cc1)CCCN2CCCOCC2 2230a_100000685342_100011713682 [0,1,0,0,0,0|3,0,0]=4 1015 B18R2.94225 Brc1ccc(cc1)CCCN2CCCOCC2 269982a_100000685342_100011713682 [0,1,0,0,0,0|3,0,0]=4 1016 B18R2.94225 Brc1ccc(cc1)CCCN2CCCOCC2 34a_100000685342_100011713682 [0,1,0,0,0,0|3,0,0]=4 1017 B18R2.94225 Brc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100011740612 [0,1,0,0,0,0|0,0,0]=1 1018 B18R2.94225 Brc1ccc(cc1)CCNC2CCCCCC2 270004a_100000755846_100000210131 [0,1,0,0,0,0|0,0,0]=1 1019 B18R2.94225 Brc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100011740612 [0,1,0,0,0,0|0,0,0]=1 1020 B18R2.94225 Brc1ccc(cc1)CCNC2CCCCCC2 34a_100000755846_100011217769 [0,1,0,0,0,0|0,0,0]=1 1021 B18R2.94225 Brc1ccc(cc1)CCNC2CCCNCC2 270004a_100000755846_100015187895 [0,1,0,0,0,0|1,0,0]=2 1022 B18R2.94225 Brc1ccc(cc1)CCNC2CSCCSC2 270004a_100000755846_100000068409 [0,1,0,0,0,0|2,0,0]=3 1023 B18R2.94225 Brc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100011740612 [0,1,0,0,0,0|1,0,0]=2 1024 B18R2.94225 Brc1ccc(cc1)CCOC2CCCCCC2 34a_100000766406_100011217769 [0,1,0,0,0,0|1,0,0]=2 1025 B18R2.94225 Brc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100011740612 [0,1,0,0,0,0|1,0,0]=2 1026 B18R2.94225 Brc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100011740612 [0,1,0,0,0,0|1,0,0]=2 1027 B18R2.94225 Brc1ccc(cc1)CCSC2CCCCCC2 62a_100011740612_100011217769 [0,1,0,0,0,0|1,0,0]=2 1028 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000186029 [0,1,0,0,0,0|2,0,0]=3 1029 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 2230a_100000174875_200000696569 [0,1,0,0,0,0|2,0,0]=3 1030 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100011217064 [0,1,0,0,0,0|2,0,0]=3 1031 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 269862a_100000174875_200000763224 [0,1,0,0,0,0|2,0,0]=3 1032 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000186029 [0,1,0,0,0,0|2,0,0]=3 1033 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 34a_100000174875_200000696569 [0,1,0,0,0,0|2,0,0]=3 1034 B18R2.94225 Brc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000189115 [0,1,0,0,0,0|2,0,0]=3 1035 B18R2.94225 Brc1ccc(cc1)CNN=C2CCCCCC2 4a_100016993955_100000210131 [0,1,0,0,0,0|1,0,2]=4 1036 B18R2.94225 Brc1ccc(cc1)COCC2CCCCCC2 34a_100000695286_200000696569 [0,1,0,0,0,0|2,0,0]=3 1037 B18R2.94225 Brc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000189115 [0,1,0,0,0,0|2,0,0]=3 1038 B18R2.94225 Brc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100011217064 [0,1,0,0,0,0|2,0,0]=3 1039 B18R2.94225 Brc1ccc(cc1)CSCC2CCCCCC2 62a_100000189115_200000696569 [0,1,0,0,0,0|2,0,0]=3 1040 B18R2.94225 Brc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000189115 [0,1,0,0,0,0|2,0,0]=3 1041 B18R2.94225 Brc1ccc(cc1)NN=CC2CCCCCC2 4a_100000735608_200000763224 [0,1,0,0,0,0|3,0,0]=4 1042 B18R2.94225 Brc1ccc(cc1)OCCN2CCCCCC2 2230a_100000185865_100000183278 [0,1,0,0,0,0|3,0,0]=4 1043 B18R2.94225 Brc1ccc(cc1)OCCN2CCCCCC2 269982a_100000185865_100000183278 [0,1,0,0,0,0|3,0,0]=4 1044 B18R2.94225 Brc1ccc(cc1)OCCN2CCCCCC2 34a_100000185865_100000183278 [0,1,0,0,0,0|3,0,0]=4 1045 B18R2.94225 Brc1ccc(cc1)OCCN2CCCCCC2 7a_100000185759_100000722644 [0,1,0,0,0,0|3,0,0]=4 1046 B18R2.94225 Brc1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000752885 [0,1,0,0,0,0|3,0,0]=4 1047 B18R2.94225 Brc1ccc(cc1)SCCN2CCCCCC2 62a_100000752885_100000722644 [0,1,0,0,0,0|3,0,0]=4 1048 B18R2.94225 Brc1ccc(cn1)CNCC2CCCCCC2 2230a_100009817727_200000696569 [0,1,0,0,0,0|3,0,0]=4 1049 B18R2.94225 Brc1ccc(cn1)CNCC2CCCCCC2 2230a_100015204231_100009831999 [0,1,0,0,0,0|3,0,0]=4 1050 B18R2.94225 Brc1ccc(cn1)CNCC2CCCCCC2 269862a_100009817727_200000763224 [0,1,0,0,0,0|3,0,0]=4 1051 B18R2.94225 Brc1ccc(cn1)CNCC2CCCCCC2 34a_100009817727_200000696569 [0,1,0,0,0,0|3,0,0]=4 1052 B18R2.94225 Brc1ccc(cn1)CNCC2CCCCCC2 34a_100015204231_100009831999 [0,1,0,0,0,0|3,0,0]=4 1053 B18R2.94225 Brc1ccc(cn1)COCC2CCCCCC2 34a_100000699130_100009831999 [0,1,0,0,0,0|3,0,0]=4 1054 B18R2.94225 Brc1ccc(cn1)COCC2CCCCCC2 34a_100009816760_200000696569 [0,1,0,0,0,0|3,0,0]=4 1055 B18R2.94225 Brc1ccc(cn1)COCC2CCCCCC2 7a_100000699130_100009831999 [0,1,0,0,0,0|3,0,0]=4 1056 B18R2.94225 Brc1ccc(cn1)COCC2CCCCCC2 7a_100009816760_200000696569 [0,1,0,0,0,0|3,0,0]=4 1057 B18R2.94225 Brc1ccc(cn1)CSCC2CCCCCC2 62a_100009831999_200000696569 [0,1,0,0,0,0|3,0,0]=4 1058 B18R2.94225 Brc1ccc(cn1)CSCC2CCCCCC2 62a_200000696569_100009831999 [0,1,0,0,0,0|3,0,0]=4 1059 B18R2.94225 Brc1ccc(nc1)CCOC2CCCCCC2 34a_100012357577_100011217769 [0,1,0,0,0,0|2,0,0]=3 1060 B18R2.94225 Brc1ccc(nc1)CNCC2CCCCCC2 207a_100015204231_100000754260 [0,1,0,0,0,0|3,0,0]=4 1061 B18R2.94225 Brc1ccc(nc1)CNCC2CCCCCC2 2230a_100015204231_100000702658 [0,1,0,0,0,0|3,0,0]=4 1062 B18R2.94225 Brc1ccc(nc1)CNCC2CCCCCC2 270004a_100015204231_100000754260 [0,1,0,0,0,0|3,0,0]=4 1063 B18R2.94225 Brc1ccc(nc1)CNCC2CCCCCC2 34a_100015188789_200000696569 [0,1,0,0,0,0|3,0,0]=4 1064 B18R2.94225 Brc1ccc(nc1)CNCC2CCCCCC2 34a_100015204231_100000702658 [0,1,0,0,0,0|3,0,0]=4 1065 B18R2.94225 Brc1ccc(nc1)COCC2CCCCCC2 34a_100000699130_100000702658 [0,1,0,0,0,0|3,0,0]=4 1066 B18R2.94225 Brc1ccc(nc1)COCC2CCCCCC2 34a_100000754261_200000696569 [0,1,0,0,0,0|3,0,0]=4 1067 B18R2.94225 Brc1ccc(nc1)COCC2CCCCCC2 7a_100000699130_100000702658 [0,1,0,0,0,0|3,0,0]=4 1068 B18R2.94225 Brc1ccc(nc1)CSCC2CCCCCC2 62a_100000702658_200000696569 [0,1,0,0,0,0|3,0,0]=4 1069 B18R2.94225 Brc1ccc(nc1)CSCC2CCCCCC2 62a_200000696569_100000702658 [0,1,0,0,0,0|3,0,0]=4 1070 B18R2.94225 Brc1ccc(nc1)NCCC2CCCCCC2 27a_100011532351_100000686858 [0,1,0,0,0,0|3,0,0]=4 1071 B18R2.94225 C[n+]1ccc(cc1)COCC2CCCCCC2 34a_100009831711_200000696569 [0,1,0,0,0,0|3,0,0]=4 1072 B18R2.94225 Cc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100011713686 [0,1,0,0,0,0|0,0,0]=1 1073 B18R2.94225 Cc1ccc(cc1)CCNC2CCCCCC2 270004a_100000705350_100000210131 [0,1,0,0,0,0|0,0,0]=1 1074 B18R2.94225 Cc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100011713686 [0,1,0,0,0,0|0,0,0]=1 1075 B18R2.94225 Cc1ccc(cc1)CCNC2CCCCCC2 34a_100000705350_100011217769 [0,1,0,0,0,0|0,0,0]=1 1076 B18R2.94225 Cc1ccc(cc1)CCNC2CCCNCC2 270004a_100000705350_100015187895 [0,1,0,0,0,0|1,0,0]=2 1077 B18R2.94225 Cc1ccc(cc1)CCNC2CSCCSC2 270004a_100000705350_100000068409 [0,1,0,0,0,0|2,0,0]=3 1078 B18R2.94225 Cc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100011713686 [0,1,0,0,0,0|1,0,0]=2 1079 B18R2.94225 Cc1ccc(cc1)CCOC2CCCCCC2 34a_100000756670_100011217769 [0,1,0,0,0,0|1,0,0]=2 1080 B18R2.94225 Cc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100011713686 [0,1,0,0,0,0|1,0,0]=2 1081 B18R2.94225 Cc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100011713686 [0,1,0,0,0,0|1,0,0]=2 1082 B18R2.94225 Cc1ccc(cc1)CCSC2CCCCCC2 62a_100011713686_100011217769 [0,1,0,0,0,0|1,0,0]=2 1083 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000211033 [0,1,0,0,0,0|2,0,0]=3 1084 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100000174908_200000696569 [0,1,0,0,0,0|2,0,0]=3 1085 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000210814 [0,1,0,0,0,0|2,0,0]=3 1086 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 269862a_100000174908_200000763224 [0,1,0,0,0,0|2,0,0]=3 1087 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000211033 [0,1,0,0,0,0|2,0,0]=3 1088 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 34a_100000174908_200000696569 [0,1,0,0,0,0|2,0,0]=3 1089 B18R2.94225 Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000210814 [0,1,0,0,0,0|2,0,0]=3 1090 B18R2.94225 Cc1ccc(cc1)CNN=C2CCCCCC2 4a_100011197965_100000210131 [0,1,0,0,0,0|1,0,2]=4 1091 B18R2.94225 Cc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000210814 [0,1,0,0,0,0|2,0,0]=3 1092 B18R2.94225 Cc1ccc(cc1)COCC2CCCCCC2 34a_100011215236_200000696569 [0,1,0,0,0,0|2,0,0]=3 1093 B18R2.94225 Cc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000210814 [0,1,0,0,0,0|2,0,0]=3 1094 B18R2.94225 Cc1ccc(cc1)COCC2CCCCCC2 7a_100011215236_200000696569 [0,1,0,0,0,0|2,0,0]=3 1095 B18R2.94225 Cc1ccc(cc1)CSCC2CCCCCC2 62a_100000210814_200000696569 [0,1,0,0,0,0|2,0,0]=3 1096 B18R2.94225 Cc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000210814 [0,1,0,0,0,0|2,0,0]=3 1097 B18R2.94225 Cc1ccc(cc1)NN=CC2CCCCCC2 4a_100000683527_200000763224 [0,1,0,0,0,0|3,0,0]=4 1098 B18R2.94225 Cc1ccc(cc1)OCCN2CCCCCC2 2230a_100000185865_100000183172 [0,1,0,0,0,0|3,0,0]=4 1099 B18R2.94225 Cc1ccc(cc1)OCCN2CCCCCC2 269982a_100000185865_100000183172 [0,1,0,0,0,0|3,0,0]=4 1100 B18R2.94225 Cc1ccc(cc1)OCCN2CCCCCC2 34a_100000185865_100000183172 [0,1,0,0,0,0|3,0,0]=4 1101 B18R2.94225 Cc1ccc(cc1)OCCN2CCCCCC2 7a_100000210336_100000722644 [0,1,0,0,0,0|3,0,0]=4 1102 B18R2.94225 Cc1ccc(cc1)SCCN2CCCCCC2 62a_100000186775_100000722644 [0,1,0,0,0,0|3,0,0]=4 1103 B18R2.94225 Cc1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000186775 [0,1,0,0,0,0|3,0,0]=4 1104 B18R2.94225 Cc1ccc(cn1)CCOC2CCCCCC2 34a_100011815783_100011217769 [0,1,0,0,0,0|2,0,0]=3 1105 B18R2.94225 Cc1ccc(cn1)CNCC2CCCCCC2 2230a_100015204231_100016987292 [0,1,0,0,0,0|3,0,0]=4 1106 B18R2.94225 Cc1ccc(cn1)CNCC2CCCCCC2 269862a_100000740942_200000763224 [0,1,0,0,0,0|3,0,0]=4 1107 B18R2.94225 Cc1ccc(cn1)CNCC2CCCCCC2 270004a_100015204231_100000743784 [0,1,0,0,0,0|3,0,0]=4 1108 B18R2.94225 Cc1ccc(cn1)CNCC2CCCCCC2 34a_100000740942_200000696569 [0,1,0,0,0,0|3,0,0]=4 1109 B18R2.94225 Cc1ccc(cn1)CNCC2CCCCCC2 34a_100015204231_100016987292 [0,1,0,0,0,0|3,0,0]=4 1110 B18R2.94225 Cc1ccc(cn1)COCC2CCCCCC2 34a_100000699130_100016987292 [0,1,0,0,0,0|3,0,0]=4 1111 B18R2.94225 Cc1ccc(cn1)COCC2CCCCCC2 34a_100011248133_200000696569 [0,1,0,0,0,0|3,0,0]=4 1112 B18R2.94225 Cc1ccc(cn1)COCC2CCCCCC2 7a_100000699130_100016987292 [0,1,0,0,0,0|3,0,0]=4 1113 B18R2.94225 Cc1ccc(cn1)CSCC2CCCCCC2 62a_100016987292_200000696569 [0,1,0,0,0,0|3,0,0]=4 1114 B18R2.94225 Cc1ccc(cn1)CSCC2CCCCCC2 62a_200000696569_100016987292 [0,1,0,0,0,0|3,0,0]=4 1115 B18R2.94225 Cc1ccc(nc1)CNCC2CCCCCC2 207a_100015204231_100000050478 [0,1,0,0,0,0|3,0,0]=4 1116 B18R2.94225 Cc1ccc(nc1)CNCC2CCCCCC2 2230a_100015204231_100000691093 [0,1,0,0,0,0|3,0,0]=4 1117 B18R2.94225 Cc1ccc(nc1)CNCC2CCCCCC2 270004a_100015204231_100000050478 [0,1,0,0,0,0|3,0,0]=4 1118 B18R2.94225 Cc1ccc(nc1)CNCC2CCCCCC2 34a_100015187455_200000696569 [0,1,0,0,0,0|3,0,0]=4 1119 B18R2.94225 Cc1ccc(nc1)CNCC2CCCCCC2 34a_100015204231_100000691093 [0,1,0,0,0,0|3,0,0]=4 1120 B18R2.94225 Cc1ccc(nc1)COCC2CCCCCC2 34a_100000699130_100000691093 [0,1,0,0,0,0|3,0,0]=4 1121 B18R2.94225 Cc1ccc(nc1)COCC2CCCCCC2 34a_100012001401_200000696569 [0,1,0,0,0,0|3,0,0]=4 1122 B18R2.94225 Cc1ccc(nc1)COCC2CCCCCC2 7a_100000699130_100000691093 [0,1,0,0,0,0|3,0,0]=4 1123 B18R2.94225 Cc1ccc(nc1)CSCC2CCCCCC2 62a_100000691093_200000696569 [0,1,0,0,0,0|3,0,0]=4 1124 B18R2.94225 Cc1ccc(nc1)CSCC2CCCCCC2 62a_200000696569_100000691093 [0,1,0,0,0,0|3,0,0]=4 1125 B18R2.94225 Clc1ccc(cc1)CCCN2CCCCCC2 2230a_100000185865_100000759440 [0,1,0,0,0,0|2,0,0]=3 1126 B18R2.94225 Clc1ccc(cc1)CCCN2CCCCCC2 269982a_100000185865_100000759440 [0,1,0,0,0,0|2,0,0]=3 1127 B18R2.94225 Clc1ccc(cc1)CCCN2CCCCCC2 34a_100000185865_100000759440 [0,1,0,0,0,0|2,0,0]=3 1128 B18R2.94225 Clc1ccc(cc1)CCCN2CCCOCC2 2230a_100000685342_100000759440 [0,1,0,0,0,0|3,0,0]=4 1129 B18R2.94225 Clc1ccc(cc1)CCCN2CCCOCC2 269982a_100000685342_100000759440 [0,1,0,0,0,0|3,0,0]=4 1130 B18R2.94225 Clc1ccc(cc1)CCCN2CCCOCC2 34a_100000685342_100000759440 [0,1,0,0,0,0|3,0,0]=4 1131 B18R2.94225 Clc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100011713675 [0,1,0,0,0,0|0,0,0]=1 1132 B18R2.94225 Clc1ccc(cc1)CCNC2CCCCCC2 270004a_100000185265_100000210131 [0,1,0,0,0,0|0,0,0]=1 1133 B18R2.94225 Clc1ccc(cc1)CCNC2CCCCCC2 34a_100000185265_100011217769 [0,1,0,0,0,0|0,0,0]=1 1134 B18R2.94225 Clc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100011713675 [0,1,0,0,0,0|0,0,0]=1 1135 B18R2.94225 Clc1ccc(cc1)CCNC2CCCNCC2 270004a_100000185265_100015187895 [0,1,0,0,0,0|1,0,0]=2 1136 B18R2.94225 Clc1ccc(cc1)CCNC2CSCCSC2 270004a_100000185265_100000068409 [0,1,0,0,0,0|2,0,0]=3 1137 B18R2.94225 Clc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100011713675 [0,1,0,0,0,0|1,0,0]=2 1138 B18R2.94225 Clc1ccc(cc1)CCOC2CCCCCC2 34a_100011219627_100011217769 [0,1,0,0,0,0|1,0,0]=2 1139 B18R2.94225 Clc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100011713675 [0,1,0,0,0,0|1,0,0]=2 1140 B18R2.94225 Clc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100011713675 [0,1,0,0,0,0|1,0,0]=2 1141 B18R2.94225 Clc1ccc(cc1)CCSC2CCCCCC2 62a_100011713675_100011217769 [0,1,0,0,0,0|1,0,0]=2 1142 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000189385 [0,1,0,0,0,0|2,0,0]=3 1143 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 2230a_100000174871_200000696569 [0,1,0,0,0,0|2,0,0]=3 1144 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000694040 [0,1,0,0,0,0|2,0,0]=3 1145 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 269862a_100000174871_200000763224 [0,1,0,0,0,0|2,0,0]=3 1146 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000189385 [0,1,0,0,0,0|2,0,0]=3 1147 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 34a_100000174871_200000696569 [0,1,0,0,0,0|2,0,0]=3 1148 B18R2.94225 Clc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000694040 [0,1,0,0,0,0|2,0,0]=3 1149 B18R2.94225 Clc1ccc(cc1)CNN=C2CCCCCC2 4a_100000689899_100000210131 [0,1,0,0,0,0|1,0,2]=4 1150 B18R2.94225 Clc1ccc(cc1)COCC2CCCCCC2 34a_100000211118_200000696569 [0,1,0,0,0,0|2,0,0]=3 1151 B18R2.94225 Clc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000694040 [0,1,0,0,0,0|2,0,0]=3 1152 B18R2.94225 Clc1ccc(cc1)COCC2CCCCCC2 7a_100000211118_200000696569 [0,1,0,0,0,0|2,0,0]=3 1153 B18R2.94225 Clc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000187161 [0,1,0,0,0,0|2,0,0]=3 1154 B18R2.94225 Clc1ccc(cc1)CSCC2CCCCCC2 62a_100000187161_200000696569 [0,1,0,0,0,0|2,0,0]=3 1155 B18R2.94225 Clc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000187161 [0,1,0,0,0,0|2,0,0]=3 1156 B18R2.94225 Clc1ccc(cc1)NN=CC2CCCCCC2 4a_100000683521_200000763224 [0,1,0,0,0,0|3,0,0]=4 1157 B18R2.94225 Clc1ccc(cc1)OCCN2CCCCCC2 2230a_100000185865_100000184122 [0,1,0,0,0,0|3,0,0]=4 1158 B18R2.94225 Clc1ccc(cc1)OCCN2CCCCCC2 269982a_100000185865_100000184122 [0,1,0,0,0,0|3,0,0]=4 1159 B18R2.94225 Clc1ccc(cc1)OCCN2CCCCCC2 34a_100000185865_100000184122 [0,1,0,0,0,0|3,0,0]=4 1160 B18R2.94225 Clc1ccc(cc1)OCCN2CCCCCC2 7a_100000210216_100000722644 [0,1,0,0,0,0|3,0,0]=4 1161 B18R2.94225 Clc1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000755918 [0,1,0,0,0,0|3,0,0]=4 1162 B18R2.94225 Clc1ccc(cc1)SCCN2CCCCCC2 62a_100000755918_100000722644 [0,1,0,0,0,0|3,0,0]=4 1163 B18R2.94225 Clc1ccc(cn1)CCOC2CCCCCC2 34a_100009880866_100011217769 [0,1,0,0,0,0|2,0,0]=3 1164 B18R2.94225 Clc1ccc(cn1)CNCC2CCCCCC2 2230a_100000735879_200000696569 [0,1,0,0,0,0|3,0,0]=4 1165 B18R2.94225 Clc1ccc(cn1)CNCC2CCCCCC2 2230a_100015204231_100000735431 [0,1,0,0,0,0|3,0,0]=4 1166 B18R2.94225 Clc1ccc(cn1)CNCC2CCCCCC2 269862a_100000735879_200000763224 [0,1,0,0,0,0|3,0,0]=4 1167 B18R2.94225 Clc1ccc(cn1)CNCC2CCCCCC2 34a_100000735879_200000696569 [0,1,0,0,0,0|3,0,0]=4 1168 B18R2.94225 Clc1ccc(cn1)CNCC2CCCCCC2 34a_100015204231_100000735431 [0,1,0,0,0,0|3,0,0]=4 1169 B18R2.94225 Clc1ccc(cn1)COCC2CCCCCC2 34a_100000699130_100000735431 [0,1,0,0,0,0|3,0,0]=4 1170 B18R2.94225 Clc1ccc(cn1)COCC2CCCCCC2 34a_100000755211_200000696569 [0,1,0,0,0,0|3,0,0]=4 1171 B18R2.94225 Clc1ccc(cn1)COCC2CCCCCC2 7a_100000699130_100000735431 [0,1,0,0,0,0|3,0,0]=4 1172 B18R2.94225 Clc1ccc(cn1)COCC2CCCCCC2 7a_100000755211_200000696569 [0,1,0,0,0,0|3,0,0]=4 1173 B18R2.94225 Clc1ccc(cn1)CSCC2CCCCCC2 62a_100000735431_200000696569 [0,1,0,0,0,0|3,0,0]=4 1174 B18R2.94225 Clc1ccc(cn1)CSCC2CCCCCC2 62a_200000696569_100000735431 [0,1,0,0,0,0|3,0,0]=4 1175 B18R2.94225 Clc1ccc(nc1)CNCC2CCCCCC2 207a_100015204231_100011361569 [0,1,0,0,0,0|3,0,0]=4 1176 B18R2.94225 Clc1ccc(nc1)CNCC2CCCCCC2 2230a_100015204231_100012066911 [0,1,0,0,0,0|3,0,0]=4 1177 B18R2.94225 Clc1ccc(nc1)CNCC2CCCCCC2 269862a_100000697193_200000763224 [0,1,0,0,0,0|3,0,0]=4 1178 B18R2.94225 Clc1ccc(nc1)CNCC2CCCCCC2 270004a_100015204231_100011361569 [0,1,0,0,0,0|3,0,0]=4 1179 B18R2.94225 Clc1ccc(nc1)CNCC2CCCCCC2 34a_100000697193_200000696569 [0,1,0,0,0,0|3,0,0]=4 1180 B18R2.94225 Clc1ccc(nc1)CNCC2CCCCCC2 34a_100015204231_100012066911 [0,1,0,0,0,0|3,0,0]=4 1181 B18R2.94225 Clc1ccc(nc1)COCC2CCCCCC2 34a_100000699130_100012066911 [0,1,0,0,0,0|3,0,0]=4 1182 B18R2.94225 Clc1ccc(nc1)COCC2CCCCCC2 34a_100000703999_200000696569 [0,1,0,0,0,0|3,0,0]=4 1183 B18R2.94225 Clc1ccc(nc1)COCC2CCCCCC2 7a_100000699130_100012066911 [0,1,0,0,0,0|3,0,0]=4 1184 B18R2.94225 Clc1ccc(nc1)CSCC2CCCCCC2 62a_100012066911_200000696569 [0,1,0,0,0,0|3,0,0]=4 1185 B18R2.94225 Clc1ccc(nc1)CSCC2CCCCCC2 62a_200000696569_100000697101 [0,1,0,0,0,0|3,0,0]=4 1186 B18R2.94225 Fc1ccc(cc1)CCCN2CCCCCC2 2230a_100000185865_200011713563 [0,1,0,0,0,0|2,0,0]=3 1187 B18R2.94225 Fc1ccc(cc1)CCCN2CCCCCC2 269982a_100000185865_200011713563 [0,1,0,0,0,0|2,0,0]=3 1188 B18R2.94225 Fc1ccc(cc1)CCCN2CCCCCC2 34a_100000185865_200011713563 [0,1,0,0,0,0|2,0,0]=3 1189 B18R2.94225 Fc1ccc(cc1)CCCN2CCCOCC2 2230a_100000685342_200011713563 [0,1,0,0,0,0|3,0,0]=4 1190 B18R2.94225 Fc1ccc(cc1)CCCN2CCCOCC2 269982a_100000685342_200011713563 [0,1,0,0,0,0|3,0,0]=4 1191 B18R2.94225 Fc1ccc(cc1)CCCN2CCCOCC2 34a_100000685342_200011713563 [0,1,0,0,0,0|3,0,0]=4 1192 B18R2.94225 Fc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100011217392 [0,1,0,0,0,0|0,0,0]=1 1193 B18R2.94225 Fc1ccc(cc1)CCNC2CCCCCC2 270004a_100000199005_100000210131 [0,1,0,0,0,0|0,0,0]=1 1194 B18R2.94225 Fc1ccc(cc1)CCNC2CCCCCC2 34a_100000199005_100011217769 [0,1,0,0,0,0|0,0,0]=1 1195 B18R2.94225 Fc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100011217392 [0,1,0,0,0,0|0,0,0]=1 1196 B18R2.94225 Fc1ccc(cc1)CCNC2CCCNCC2 270004a_100000199005_100015187895 [0,1,0,0,0,0|1,0,0]=2 1197 B18R2.94225 Fc1ccc(cc1)CCNC2CSCCSC2 270004a_100000199005_100000068409 [0,1,0,0,0,0|2,0,0]=3 1198 B18R2.94225 Fc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100011217392 [0,1,0,0,0,0|1,0,0]=2 1199 B18R2.94225 Fc1ccc(cc1)CCOC2CCCCCC2 34a_100000754732_100011217769 [0,1,0,0,0,0|1,0,0]=2 1200 B18R2.94225 Fc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100011217392 [0,1,0,0,0,0|1,0,0]=2 1201 B18R2.94225 Fc1ccc(cc1)CCSC2CCCCCC2 62a_100011217392_100011217769 [0,1,0,0,0,0|1,0,0]=2 1202 B18R2.94225 Fc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100011217392 [0,1,0,0,0,0|1,0,0]=2 1203 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000210084 [0,1,0,0,0,0|2,0,0]=3 1204 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 2230a_100000174882_200000696569 [0,1,0,0,0,0|2,0,0]=3 1205 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000198546 [0,1,0,0,0,0|2,0,0]=3 1206 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 269862a_100000174882_200000763224 [0,1,0,0,0,0|2,0,0]=3 1207 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000210084 [0,1,0,0,0,0|2,0,0]=3 1208 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 34a_100000174882_200000696569 [0,1,0,0,0,0|2,0,0]=3 1209 B18R2.94225 Fc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000198546 [0,1,0,0,0,0|2,0,0]=3 1210 B18R2.94225 Fc1ccc(cc1)CNN=C2CCCCCC2 4a_100000689900_100000210131 [0,1,0,0,0,0|1,0,2]=4 1211 B18R2.94225 Fc1ccc(cc1)COCC2CCCCCC2 34a_100000210977_200000696569 [0,1,0,0,0,0|2,0,0]=3 1212 B18R2.94225 Fc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000198546 [0,1,0,0,0,0|2,0,0]=3 1213 B18R2.94225 Fc1ccc(cc1)COCC2CCCCCC2 7a_100000210977_200000696569 [0,1,0,0,0,0|2,0,0]=3 1214 B18R2.94225 Fc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000198546 [0,1,0,0,0,0|2,0,0]=3 1215 B18R2.94225 Fc1ccc(cc1)CSCC2CCCCCC2 62a_100000198546_200000696569 [0,1,0,0,0,0|2,0,0]=3 1216 B18R2.94225 Fc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000187164 [0,1,0,0,0,0|2,0,0]=3 1217 B18R2.94225 Fc1ccc(cc1)NN=CC2CCCCCC2 4a_100000728448_200000763224 [0,1,0,0,0,0|3,0,0]=4 1218 B18R2.94225 Fc1ccc(cc1)OCCN2CCCCCC2 2230a_100000185865_100000184936 [0,1,0,0,0,0|3,0,0]=4 1219 B18R2.94225 Fc1ccc(cc1)OCCN2CCCCCC2 269982a_100000185865_100000184936 [0,1,0,0,0,0|3,0,0]=4 1220 B18R2.94225 Fc1ccc(cc1)OCCN2CCCCCC2 34a_100000185865_100000184936 [0,1,0,0,0,0|3,0,0]=4 1221 B18R2.94225 Fc1ccc(cc1)SCCN2CCCCCC2 62a_100000211213_100000722644 [0,1,0,0,0,0|3,0,0]=4 1222 B18R2.94225 Fc1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000211213 [0,1,0,0,0,0|3,0,0]=4 1223 B18R2.94225 Fc1ccc(cn1)CNCC2CCCCCC2 2230a_100000101913_200000696569 [0,1,0,0,0,0|3,0,0]=4 1224 B18R2.94225 Fc1ccc(cn1)CNCC2CCCCCC2 2230a_100015204231_100009820150 [0,1,0,0,0,0|3,0,0]=4 1225 B18R2.94225 Fc1ccc(cn1)CNCC2CCCCCC2 269862a_100000101913_200000763224 [0,1,0,0,0,0|3,0,0]=4 1226 B18R2.94225 Fc1ccc(cn1)CNCC2CCCCCC2 34a_100000101913_200000696569 [0,1,0,0,0,0|3,0,0]=4 1227 B18R2.94225 Fc1ccc(cn1)CNCC2CCCCCC2 34a_100015204231_100000099788 [0,1,0,0,0,0|3,0,0]=4 1228 B18R2.94225 Fc1ccc(cn1)COCC2CCCCCC2 34a_100000079959_200000696569 [0,1,0,0,0,0|3,0,0]=4 1229 B18R2.94225 Fc1ccc(cn1)COCC2CCCCCC2 34a_100000699130_100000099788 [0,1,0,0,0,0|3,0,0]=4 1230 B18R2.94225 Fc1ccc(cn1)COCC2CCCCCC2 7a_100000699130_100009820150 [0,1,0,0,0,0|3,0,0]=4 1231 B18R2.94225 Fc1ccc(cn1)CSCC2CCCCCC2 62a_100009820150_200000696569 [0,1,0,0,0,0|3,0,0]=4 1232 B18R2.94225 Fc1ccc(cn1)CSCC2CCCCCC2 62a_200000696569_100000099788 [0,1,0,0,0,0|3,0,0]=4 1233 B18R2.94225 Fc1ccc(nc1)CNCC2CCCCCC2 207a_100015204231_100011934744 [0,1,0,0,0,0|3,0,0]=4 1234 B18R2.94225 Fc1ccc(nc1)CNCC2CCCCCC2 2230a_100015204231_100000703193 [0,1,0,0,0,0|3,0,0]=4 1235 B18R2.94225 Fc1ccc(nc1)CNCC2CCCCCC2 270004a_100015204231_100011934744 [0,1,0,0,0,0|3,0,0]=4 1236 B18R2.94225 Fc1ccc(nc1)CNCC2CCCCCC2 34a_100015204231_100000703193 [0,1,0,0,0,0|3,0,0]=4 1237 B18R2.94225 Fc1ccc(nc1)CNCC2CCCCCC2 34a_100020620131_200000696569 [0,1,0,0,0,0|3,0,0]=4 1238 B18R2.94225 Fc1ccc(nc1)COCC2CCCCCC2 34a_100000699130_100000703193 [0,1,0,0,0,0|3,0,0]=4 1239 B18R2.94225 Fc1ccc(nc1)COCC2CCCCCC2 34a_100011999454_200000696569 [0,1,0,0,0,0|3,0,0]=4 1240 B18R2.94225 Fc1ccc(nc1)COCC2CCCCCC2 7a_100000699130_100000703193 [0,1,0,0,0,0|3,0,0]=4 1241 B18R2.94225 Fc1ccc(nc1)CSCC2CCCCCC2 62a_100000703193_200000696569 [0,1,0,0,0,0|3,0,0]=4 1242 B18R2.94225 Fc1ccc(nc1)CSCC2CCCCCC2 62a_200000696569_100000703193 [0,1,0,0,0,0|3,0,0]=4 1243 B18R2.94225 Ic1ccc(cc1)CCOC2CCCCCC2 34a_100012291149_100011217769 [0,1,0,0,0,0|1,0,0]=2 1244 B18R2.94225 Ic1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000188517 [0,1,0,0,0,0|2,0,0]=3 1245 B18R2.94225 Ic1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000189116 [0,1,0,0,0,0|2,0,0]=3 1246 B18R2.94225 Ic1ccc(cc1)CNCC2CCCCCC2 2230a_100016989417_200000696569 [0,1,0,0,0,0|2,0,0]=3 1247 B18R2.94225 Ic1ccc(cc1)CNCC2CCCCCC2 269862a_100016989417_200000763224 [0,1,0,0,0,0|2,0,0]=3 1248 B18R2.94225 Ic1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000189116 [0,1,0,0,0,0|2,0,0]=3 1249 B18R2.94225 Ic1ccc(cc1)CNCC2CCCCCC2 34a_100016989417_200000696569 [0,1,0,0,0,0|2,0,0]=3 1250 B18R2.94225 Ic1ccc(cc1)CNN=C2CCCCCC2 4a_102495363730_100000210131 [0,1,0,0,0,0|1,0,2]=4 1251 B18R2.94225 Ic1ccc(cc1)COCC2CCCCCC2 34a_100000690907_200000696569 [0,1,0,0,0,0|2,0,0]=3 1252 B18R2.94225 Ic1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000189116 [0,1,0,0,0,0|2,0,0]=3 1253 B18R2.94225 Ic1ccc(cc1)COCC2CCCCCC2 7a_100000690907_200000696569 [0,1,0,0,0,0|2,0,0]=3 1254 B18R2.94225 Ic1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000189116 [0,1,0,0,0,0|2,0,0]=3 1255 B18R2.94225 Ic1ccc(cc1)CSCC2CCCCCC2 62a_100000189116_200000696569 [0,1,0,0,0,0|2,0,0]=3 1256 B18R2.94225 Ic1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000189116 [0,1,0,0,0,0|2,0,0]=3 1257 B18R2.94225 Ic1ccc(cc1)NN=CC2CCCCCC2 4a_100016988836_200000763224 [0,1,0,0,0,0|3,0,0]=4 1258 B18R2.94225 Ic1ccc(cc1)OCCN2CCCCCC2 7a_100000212066_100000722644 [0,1,0,0,0,0|3,0,0]=4 1259 B18R2.94225 Nc1ccc(cc1)CCOC2CCCCCC2 34a_100011204434_100011217769 [0,1,0,0,0,0|1,0,0]=2 1260 B18R2.94225 Nc1ccc(cc1)COCC2CCCCCC2 34a_100011215238_200000696569 [0,1,0,0,0,0|2,0,0]=3 1261 B18R2.94225 Nc1ccc(cc1)SCCN2CCCCCC2 62a_100000185761_100000722644 [0,1,0,0,0,0|3,0,0]=4 1262 B18R2.94225 Nc1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000185761 [0,1,0,0,0,0|3,0,0]=4 1263 B18R2.94225 Nc1ccc(cn1)COCC2CCCCCC2 34a_100000704267_200000696569 [0,1,0,0,0,0|3,0,0]=4 1264 B18R2.94225 Nc1ccc(nc1)COCC2CCCCCC2 34a_100011998161_200000696569 [0,1,0,0,0,0|3,0,0]=4 1265 B18R2.94225 O=c1ccc(c[nH]1)COCC2CCCCCC2 34a_100011999846_200000696569 [0,1,0,0,0,0|3,0,0]=4 1266 B18R2.94225 Oc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100009816426 [0,1,0,0,0,0|0,0,0]=1 1267 B18R2.94225 Oc1ccc(cc1)CCNC2CCCCCC2 270004a_100000743037_100000210131 [0,1,0,0,0,0|0,0,0]=1 1268 B18R2.94225 Oc1ccc(cc1)CCNC2CCCCCC2 34a_100000743037_100011217769 [0,1,0,0,0,0|0,0,0]=1 1269 B18R2.94225 Oc1ccc(cc1)CCNC2CCCNCC2 270004a_100000743037_100015187895 [0,1,0,0,0,0|1,0,0]=2 1270 B18R2.94225 Oc1ccc(cc1)CCNC2CSCCSC2 270004a_100000743037_100000068409 [0,1,0,0,0,0|2,0,0]=3 1271 B18R2.94225 Oc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100009816426 [0,1,0,0,0,0|1,0,0]=2 1272 B18R2.94225 Oc1ccc(cc1)CCSC2CCCCCC2 62a_100009816426_100011217769 [0,1,0,0,0,0|1,0,0]=2 1273 B18R2.94225 Oc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100009816426 [0,1,0,0,0,0|1,0,0]=2 1274 B18R2.94225 Oc1ccc(cc1)CNCC2CCCCCC2 34a_100000185549_200000696569 [0,1,0,0,0,0|2,0,0]=3 1275 B18R2.94225 Oc1ccc(cc1)SCCN2CCCCCC2 62a_100000722644_100000185759 [0,1,0,0,0,0|3,0,0]=4 1276 B18R2.94225 Oc1ccc(cn1)CNCC2CCCCCC2 207a_100015204231_100011361521 [0,1,0,0,0,0|3,0,0]=4 1277 B18R2.94225 Oc1ccc(cn1)CNCC2CCCCCC2 2230a_100000757128_200000696569 [0,1,0,0,0,0|3,0,0]=4 1278 B18R2.94225 [O-][n+]1ccc(cc1)COCC2CCCCCC2 34a_100000031831_200000696569 [0,1,0,0,0,0|3,0,0]=4 1279 B18R2.94225 [O-][n+]1ccc(cc1)COCC2CCCCCC2 7a_100000031831_200000696569 [0,1,0,0,0,0|3,0,0]=4 1280 B18R2.128576 CC(CCc1ccccc1)N2CCCCCC2 270004a_100000185865_100000210092 [0,1,0,0,0,0|2,0,0]=3 1281 B18R2.128576 CC(CCc1ccccc1)N2CCCOCC2 270004a_100000685342_100000210092 [0,1,0,0,0,0|3,0,0]=4 1282 B18R2.128576 CC(COc1ccccc1)N2CCCCCC2 270004a_100000185865_100000150576 [0,1,0,0,0,0|3,0,0]=4 1283 B18R2.128576 CC(CSc1ccccc1)N2CCCCCC2 270004a_100000185865_100000150717 [0,1,0,0,0,0|3,0,0]=4 1284 B18R2.128576 CN(CCc1ccccc1)C2CCCCCC2 2230a_100015185097_100000765856 [0,1,0,0,0,0|0,0,0]=1 1285 B18R2.128576 CN(CCc1ccccc1)C2CCCCCC2 269982a_100000207497_100011217769 [0,1,0,0,0,0|0,0,0]=1 1286 B18R2.128576 CN(CCc1ccccc1)C2CCCCCC2 269982a_100015185097_100000765856 [0,1,0,0,0,0|0,0,0]=1 1287 B18R2.128576 CN(CCc1ccccc1)C2CCCCCC2 270004a_100000207497_100000210131 [0,1,0,0,0,0|0,0,0]=1 1288 B18R2.128576 CN(CCc1ccccc1)C2CCCCCC2 34a_100015185097_100000765856 [0,1,0,0,0,0|0,0,0]=1 1289 B18R2.128576 CN(CCc1ccccc1)C2CCCNCC2 270004a_100000207497_100015187895 [0,1,0,0,0,0|1,0,0]=2 1290 B18R2.128576 CN(CCc1ccccc1)C2CSCCSC2 270004a_100000207497_100000068409 [0,1,0,0,0,0|2,0,0]=3 1291 B18R2.128576 CN(CCc1ccccn1)C2CCCCCC2 2230a_100015185097_100015183660 [0,1,0,0,0,0|1,0,0]=2 1292 B18R2.128576 CN(CCc1ccccn1)C2CCCCCC2 269982a_100000737206_100011217769 [0,1,0,0,0,0|1,0,0]=2 1293 B18R2.128576 CN(CCc1ccccn1)C2CCCCCC2 269982a_100015185097_100015183660 [0,1,0,0,0,0|1,0,0]=2 1294 B18R2.128576 CN(CCc1ccccn1)C2CCCCCC2 270004a_100000737206_100000210131 [0,1,0,0,0,0|1,0,0]=2 1295 B18R2.128576 CN(CCc1ccccn1)C2CCCNCC2 270004a_100000737206_100015187895 [0,1,0,0,0,0|2,0,0]=3 1296 B18R2.128576 CN(CCc1ccccn1)C2CSCCSC2 270004a_100000737206_100000068409 [0,1,0,0,0,0|3,0,0]=4 1297 B18R2.128576 CN(CCc1cccnc1)C2CCCCCC2 2230a_100015185097_200011713674 [0,1,0,0,0,0|1,0,0]=2 1298 B18R2.128576 CN(CCc1cccnc1)C2CCCCCC2 269982a_100000763209_100011217769 [0,1,0,0,0,0|1,0,0]=2 1299 B18R2.128576 CN(CCc1cccnc1)C2CCCCCC2 269982a_100015185097_200011713674 [0,1,0,0,0,0|1,0,0]=2 1300 B18R2.128576 CN(CCc1cccnc1)C2CCCCCC2 270004a_100000763209_100000210131 [0,1,0,0,0,0|1,0,0]=2 1301 B18R2.128576 CN(CCc1cccnc1)C2CCCNCC2 270004a_100000763209_100015187895 [0,1,0,0,0,0|2,0,0]=3 1302 B18R2.128576 CN(CCc1cccnc1)C2CSCCSC2 270004a_100000763209_100000068409 [0,1,0,0,0,0|3,0,0]=4 1303 B18R2.128576 CN(CCc1ccncc1)C2CCCCCC2 2230a_100015185097_100000723409 [0,1,0,0,0,0|1,0,0]=2 1304 B18R2.128576 CN(CCc1ccncc1)C2CCCCCC2 269982a_100000742850_100011217769 [0,1,0,0,0,0|1,0,0]=2 1305 B18R2.128576 CN(CCc1ccncc1)C2CCCCCC2 269982a_100015185097_100000723409 [0,1,0,0,0,0|1,0,0]=2 1306 B18R2.128576 CN(CCc1ccncc1)C2CCCCCC2 270004a_100000742850_100000210131 [0,1,0,0,0,0|1,0,0]=2 1307 B18R2.128576 CN(CCc1ccncc1)C2CCCNCC2 270004a_100000742850_100015187895 [0,1,0,0,0,0|2,0,0]=3 1308 B18R2.128576 CN(CCc1ccncc1)C2CSCCSC2 270004a_100000742850_100000068409 [0,1,0,0,0,0|3,0,0]=4 1309 B18R2.128576 CN(CSc1ccccc1)C2CCCCCC2 2230a_100015185097_100011218342 [0,1,0,0,0,0|1,0,0]=2 1310 B18R2.128576 CN(CSc1ccccc1)C2CCCCCC2 269982a_100015185097_100011218342 [0,1,0,0,0,0|1,0,0]=2 1311 B18R2.128576 O=C(C#Cc1ccccc1)C2CCCCCC2 1458a_100000736102_100011217769 [0,1,0,0,0,0|1,0,2]=4 1312 B18R2.128576 O=C(C=Cc1ccccc1)C2CCCCCC2 1458a_100000210462_100011217769 [0,1,0,0,0,0|1,0,2]=4 1313 B18R2.128576 O=C(CCc1ccccc1)C2CCC=CCC2 1458a_100000048548_100000765856 [0,1,0,0,0,0|1,0,2]=4 1314 B18R2.128576 O=C(CCc1ccccc1)C2CCCCCC2 1458a_100000185753_100011217769 [0,1,0,0,0,0|1,0,0]=2 1315 B18R2.128576 O=C(CCc1ccccc1)C2CCCCCC2 1458a_100000749507_100000765856 [0,1,0,0,0,0|1,0,0]=2 1316 B18R2.128576 O=C(CCc1ccccc1)N2CCCCCC2 11a_100000185865_100000185753 [0,1,0,0,0,0|2,0,0]=3 1317 B18R2.128576 O=C(CCc1ccccc1)N2CCCCCC2 1626a_100000185865_100000185753 [0,1,0,0,0,0|2,0,0]=3 1318 B18R2.128576 O=C(CCc1ccccc1)N2CCCCCC2 240690a_100000185865_100000185753 [0,1,0,0,0,0|2,0,0]=3 1319 B18R2.128576 O=C(CCc1ccccc1)N2CCCCCC2 527a_100000185865_100000185753 [0,1,0,0,0,0|2,0,0]=3 1320 B18R2.128576 O=C(CCc1ccccc1)N2CCCOCC2 11a_100000685342_100000185753 [0,1,0,0,0,0|3,0,0]=4 1321 B18R2.128576 O=C(CCc1ccccc1)N2CCCOCC2 1626a_100000685342_100000185753 [0,1,0,0,0,0|3,0,0]=4 1322 B18R2.128576 O=C(CCc1ccccc1)N2CCCOCC2 240690a_100000685342_100000185753 [0,1,0,0,0,0|3,0,0]=4 1323 B18R2.128576 O=C(CCc1ccccc1)N2CCCOCC2 527a_100000685342_100000185753 [0,1,0,0,0,0|3,0,0]=4 1324 B18R2.128576 O=C(CCc1ccccn1)C2CCCCCC2 1458a_100000749507_100015183660 [0,1,0,0,0,0|2,0,0]=3 1325 B18R2.128576 O=C(CCc1ccccn1)C2CCCCCC2 1458a_100015195070_100011217769 [0,1,0,0,0,0|2,0,0]=3 1326 B18R2.128576 O=C(CCc1ccccn1)N2CCCCCC2 11a_100000185865_100015195070 [0,1,0,0,0,0|3,0,0]=4 1327 B18R2.128576 O=C(CCc1ccccn1)N2CCCCCC2 240690a_100000185865_100015195070 [0,1,0,0,0,0|3,0,0]=4 1328 B18R2.128576 O=C(CCc1ccccn1)N2CCCCCC2 527a_100000185865_100015195070 [0,1,0,0,0,0|3,0,0]=4 1329 B18R2.128576 O=C(CCc1cccnc1)C2CCCCCC2 1458a_100000198484_100011217769 [0,1,0,0,0,0|2,0,0]=3 1330 B18R2.128576 O=C(CCc1cccnc1)C2CCCCCC2 1458a_100000749507_200011713674 [0,1,0,0,0,0|2,0,0]=3 1331 B18R2.128576 O=C(CCc1cccnc1)N2CCCCCC2 11a_100000185865_100000198484 [0,1,0,0,0,0|3,0,0]=4 1332 B18R2.128576 O=C(CCc1cccnc1)N2CCCCCC2 1626a_100000185865_100000198484 [0,1,0,0,0,0|3,0,0]=4 1333 B18R2.128576 O=C(CCc1cccnc1)N2CCCCCC2 240690a_100000185865_100000198484 [0,1,0,0,0,0|3,0,0]=4 1334 B18R2.128576 O=C(CCc1cccnc1)N2CCCCCC2 527a_100000185865_100000198484 [0,1,0,0,0,0|3,0,0]=4 1335 B18R2.128576 O=C(CCc1ccncc1)C2CCCCCC2 1458a_100000749507_100000723409 [0,1,0,0,0,0|2,0,0]=3 1336 B18R2.128576 O=C(CCc1ccncc1)C2CCCCCC2 1458a_100011225043_100011217769 [0,1,0,0,0,0|2,0,0]=3 1337 B18R2.128576 O=C(CCc1ccncc1)N2CCCCCC2 11a_100000185865_100011225043 [0,1,0,0,0,0|3,0,0]=4 1338 B18R2.128576 O=C(CCc1ccncc1)N2CCCCCC2 240690a_100000185865_100011225043 [0,1,0,0,0,0|3,0,0]=4 1339 B18R2.128576 O=C(CCc1ccncc1)N2CCCCCC2 527a_100000185865_100011225043 [0,1,0,0,0,0|3,0,0]=4 1340 B18R2.128576 O=C(CNc1ccccc1)N2CCCCCC2 34a_100000106764_100000182869 [0,1,0,0,0,0|3,0,0]=4 1341 B18R2.128576 O=C(COc1ccccc1)C2CCCCCC2 1458a_100000186222_100011217769 [0,1,0,0,0,0|2,0,0]=3 1342 B18R2.128576 O=C(COc1ccccc1)N2CCCCCC2 11a_100000185865_100000186222 [0,1,0,0,0,0|3,0,0]=4 1343 B18R2.128576 O=C(COc1ccccc1)N2CCCCCC2 1626a_100000185865_100000186222 [0,1,0,0,0,0|3,0,0]=4 1344 B18R2.128576 O=C(COc1ccccc1)N2CCCCCC2 240690a_100000185865_100000186222 [0,1,0,0,0,0|3,0,0]=4 1345 B18R2.128576 O=C(COc1ccccc1)N2CCCCCC2 34a_100000210340_100000182869 [0,1,0,0,0,0|3,0,0]=4 1346 B18R2.128576 O=C(COc1ccccc1)N2CCCCCC2 527a_100000185865_100000186222 [0,1,0,0,0,0|3,0,0]=4 1347 B18R2.128576 O=C(COc1ccccc1)N2CCCCCC2 7a_100000210340_100000182869 [0,1,0,0,0,0|3,0,0]=4 1348 B18R2.128576 O=C(COc1ccccn1)C2CCCCCC2 1458a_100102699861_100011217769 [0,1,0,0,0,0|3,0,0]=4 1349 B18R2.128576 O=C(COc1cccnc1)C2CCCCCC2 1458a_100015207166_100011217769 [0,1,0,0,0,0|3,0,0]=4 1350 B18R2.128576 O=C(CSc1ccccc1)C2CCCCCC2 1458a_100000211596_100011217769 [0,1,0,0,0,0|2,0,0]=3 1351 B18R2.128576 O=C(CSc1ccccc1)N2CCCCCC2 11a_100000185865_100000211596 [0,1,0,0,0,0|3,0,0]=4 1352 B18R2.128576 O=C(CSc1ccccc1)N2CCCCCC2 1626a_100000185865_100000211596 [0,1,0,0,0,0|3,0,0]=4 1353 B18R2.128576 O=C(CSc1ccccc1)N2CCCCCC2 240690a_100000185865_100000211596 [0,1,0,0,0,0|3,0,0]=4 1354 B18R2.128576 O=C(CSc1ccccc1)N2CCCCCC2 527a_100000185865_100000211596 [0,1,0,0,0,0|3,0,0]=4 1355 B18R2.128576 O=C(CSc1ccccc1)N2CCCCCC2 62a_100000182869_100000041952 [0,1,0,0,0,0|3,0,0]=4 1356 B18R2.128576 O=C(CSc1ccccc1)N2CCCCCC2 62a_100000719477_100000182869 [0,1,0,0,0,0|3,0,0]=4 1357 B18R2.128576 O=C(CSc1ccccn1)C2CCCCCC2 1458a_100000156281_100011217769 [0,1,0,0,0,0|3,0,0]=4 1358 B18R2.128576 O=C(CSc1ccncc1)C2CCCCCC2 1458a_100000211328_100011217769 [0,1,0,0,0,0|3,0,0]=4 1359 B18R2.128576 O=C(NCc1ccccc1)C2CCCCCC2 11a_100015324214_100000749507 [0,1,0,0,0,0|2,0,0]=3 1360 B18R2.128576 O=C(NCc1ccccc1)C2CCCCCC2 1626a_100015324214_100000749507 [0,1,0,0,0,0|2,0,0]=3 1361 B18R2.128576 O=C(NCc1ccccc1)C2CCCCCC2 240690a_100015324214_100000749507 [0,1,0,0,0,0|2,0,0]=3 1362 B18R2.128576 O=C(NCc1ccccc1)C2CCCCCC2 527a_100015324214_100000749507 [0,1,0,0,0,0|2,0,0]=3 1363 B18R2.128576 O=C(NCc1ccccc1)N2CCCCCC2 2708a_100015324214_100000185865 [0,1,0,0,0,0|3,0,0]=4 1364 B18R2.128576 O=C(NCc1ccccc1)N2CCCCCC2 273464a_100015324214_100000185865 [0,1,0,0,0,0|3,0,0]=4 1365 B18R2.128576 O=C(NCc1ccccn1)C2CCCCCC2 11a_100000210449_100000749507 [0,1,0,0,0,0|3,0,0]=4 1366 B18R2.128576 O=C(NCc1ccccn1)C2CCCCCC2 1626a_100000210449_100000749507 [0,1,0,0,0,0|3,0,0]=4 1367 B18R2.128576 O=C(NCc1ccccn1)C2CCCCCC2 240690a_100000210449_100000749507 [0,1,0,0,0,0|3,0,0]=4 1368 B18R2.128576 O=C(NCc1ccccn1)C2CCCCCC2 527a_100000210449_100000749507 [0,1,0,0,0,0|3,0,0]=4 1369 B18R2.128576 O=C(NCc1cccnc1)C2CCCCCC2 11a_100000210453_100000749507 [0,1,0,0,0,0|3,0,0]=4 1370 B18R2.128576 O=C(NCc1cccnc1)C2CCCCCC2 240690a_100000210453_100000749507 [0,1,0,0,0,0|3,0,0]=4 1371 B18R2.128576 O=C(NCc1cccnc1)C2CCCCCC2 527a_100000210453_100000749507 [0,1,0,0,0,0|3,0,0]=4 1372 B18R2.128576 O=C(NCc1ccncc1)C2CCCCCC2 11a_100000210450_100000749507 [0,1,0,0,0,0|3,0,0]=4 1373 B18R2.128576 O=C(NCc1ccncc1)C2CCCCCC2 1626a_100000210450_100000749507 [0,1,0,0,0,0|3,0,0]=4 1374 B18R2.128576 O=C(NCc1ccncc1)C2CCCCCC2 240690a_100000210450_100000749507 [0,1,0,0,0,0|3,0,0]=4 1375 B18R2.128576 O=C(NCc1ccncc1)C2CCCCCC2 527a_100000210450_100000749507 [0,1,0,0,0,0|3,0,0]=4 1376 B18R2.128576 O=C(NNc1ccccc1)C2CCCCCC2 22a_100015195140_100000749507 [0,1,0,0,0,0|3,0,0]=4 1377 B18R2.309037 CC1(CCCCCC1)NCCc2ccccc2 2230a_100000704638_100000765856 [0,1,0,0,0,0|0,0,0]=1 1378 B18R2.309037 CC1(CCCCCC1)NCCc2ccccc2 34a_100000704638_100000765856 [0,1,0,0,0,0|0,0,0]=1 1379 B18R2.309037 CC1(CCCCCC1)NCCc2ccccn2 2230a_100000704638_100015183660 [0,1,0,0,0,0|1,0,0]=2 1380 B18R2.309037 CC1(CCCCCC1)NCCc2cccnc2 2230a_100000704638_200011713674 [0,1,0,0,0,0|1,0,0]=2 1381 B18R2.309037 CC1(CCCCCC1)NCCc2ccncc2 2230a_100000704638_100000723409 [0,1,0,0,0,0|1,0,0]=2 1382 B18R2.309037 CC1(CCCCCC1)NCSc2ccccc2 2230a_100000704638_100011218342 [0,1,0,0,0,0|1,0,0]=2 1383 B18R2.309037 CC1(CCCCCC1)OCCc2ccccc2 34a_100000708895_100000765856 [0,1,0,0,0,0|1,0,0]=2 1384 B18R2.309037 CC1(CCCCCC1)OCCc2ccccc2 7a_100000708895_100000765856 [0,1,0,0,0,0|1,0,0]=2 1385 B18R2.309037 CC1(CCCCCC1)OCCc2ccccn2 7a_100000708895_100015183660 [0,1,0,0,0,0|2,0,0]=3 1386 B18R2.309037 CC1(CCCCCC1)OCCc2cccnc2 7a_100000708895_200011713674 [0,1,0,0,0,0|2,0,0]=3 1387 B18R2.309037 CC1(CCCCCC1)OCCc2ccncc2 7a_100000708895_100000723409 [0,1,0,0,0,0|2,0,0]=3 1388 B18R2.309037 CC1(CCCNCC1)OCCc2ccccc2 34a_100000723723_100000765856 [0,1,0,0,0,0|2,0,0]=3 1389 B16R1.643 BrCCCCCCCOCc1ccccc1 34a_100000760002_100015291786 [0,0,1,0,0,0|3,0,0]=4 1390 B16R1.643 BrCCCCCCCOCc1ccccc1 7a_100000760002_100000211182 [0,0,1,0,0,0|3,0,0]=4 1391 B16R1.643 BrCCCCCCOCCc1ccccc1 34a_100011215345_100000765856 [0,0,1,0,0,0|2,0,0]=3 1392 B16R1.643 BrCCCCCCOCCc1ccccc1 7a_100011215345_100000765856 [0,0,1,0,0,0|2,0,0]=3 1393 B16R1.643 BrCCCCCCOCCc1ccccn1 7a_100011215345_100015183660 [0,0,1,0,0,0|3,0,0]=4 1394 B16R1.643 BrCCCCCCOCCc1cccnc1 7a_100011215345_200011713674 [0,0,1,0,0,0|3,0,0]=4 1395 B16R1.643 BrCCCCCCOCCc1ccncc1 7a_100011215345_100000723409 [0,0,1,0,0,0|3,0,0]=4 1396 B16R1.643 BrCCCCCOCCCc1ccccc1 34a_100000746331_100000211621 [0,0,1,0,0,0|3,0,0]=4 1397 B16R1.643 BrCCCCCOCCCc1ccccc1 7a_100000746331_100000211621 [0,0,1,0,0,0|3,0,0]=4 1398 B16R1.643 BrCCCCOCCCCc1ccccc1 34a_100011216708_100000701786 [0,0,1,0,0,0|3,0,0]=4 1399 B16R1.643 BrCCCOCCCCCc1ccccc1 34a_100011217188_200011217138 [0,0,1,0,0,0|3,0,0]=4 1400 B16R1.643 BrCCOCCCCCCc1ccccc1 34a_100000211926_100011218729 [0,0,1,0,0,0|3,0,0]=4 1401 B16R1.643 C#CCCCCCNCCc1ccccc1 2230a_100000106460_100012094781 [0,0,1,0,0,0|0,0,2]=3 1402 B16R1.643 C#CCCCCCNCCc1ccccc1 34a_100000106460_100012094781 [0,0,1,0,0,0|0,0,2]=3 1403 B16R1.643 C#CCCCCCNCCc1cccnc1 2230a_100000736294_100012094781 [0,0,1,0,0,0|1,0,2]=4 1404 B16R1.643 C#CCCCCCOCCc1ccccc1 34a_100000210268_100012094781 [0,0,1,0,0,0|1,0,2]=4 1405 B16R1.643 C#CCCCCCOCCc1ccccc1 34a_100000766912_100000765856 [0,0,1,0,0,0|1,0,2]=4 1406 B16R1.643 C#CCCCCCOCCc1ccccc1 7a_100000210268_100012094781 [0,0,1,0,0,0|1,0,2]=4 1407 B16R1.643 C#CCCCCCOCCc1ccccc1 7a_100000766912_100000765856 [0,0,1,0,0,0|1,0,2]=4 1408 B16R1.643 C#CCCCCCSCCc1ccccc1 62a_100000765856_100012094781 [0,0,1,0,0,0|1,0,2]=4 1409 B16R1.643 C#CCCCCCSCCc1ccccc1 62a_100012094781_100011218657 [0,0,1,0,0,0|1,0,2]=4 1410 B16R1.643 C=CCCCCCNCCc1ccccc1 2230a_100000106460_100000700193 [0,0,1,0,0,0|0,0,2]=3 1411 B16R1.643 C=CCCCCCNCCc1ccccc1 34a_100000106460_100000700193 [0,0,1,0,0,0|0,0,2]=3 1412 B16R1.643 C=CCCCCCNCCc1cccnc1 2230a_100000736294_100000700193 [0,0,1,0,0,0|1,0,2]=4 1413 B16R1.643 C=CCCCCCOCCc1ccccc1 34a_100000210268_100000700193 [0,0,1,0,0,0|1,0,2]=4 1414 B16R1.643 C=CCCCCCOCCc1ccccc1 34a_100011216702_100000765856 [0,0,1,0,0,0|1,0,2]=4 1415 B16R1.643 C=CCCCCCOCCc1ccccc1 7a_100000210268_100000700193 [0,0,1,0,0,0|1,0,2]=4 1416 B16R1.643 C=CCCCCCOCCc1ccccc1 7a_100011216702_100000765856 [0,0,1,0,0,0|1,0,2]=4 1417 B16R1.643 C=CCCCCCSCCc1ccccc1 62a_100000700193_100011218657 [0,0,1,0,0,0|1,0,2]=4 1418 B16R1.643 C=CCCCCCSCCc1ccccc1 62a_100000765856_100000700193 [0,0,1,0,0,0|1,0,2]=4 1419 B16R1.643 CC/C=C/CCCOCCc1ccccc1 34a_100016287902_100000765856 [0,0,1,0,0,0|1,0,2]=4 1420 B16R1.643 CC/C=C/CCCOCCc1ccccc1 7a_100016287902_100000765856 [0,0,1,0,0,0|1,0,2]=4 1421 B16R1.643 CCCC#CCCOCCc1ccccc1 34a_100000042726_100000765856 [0,0,1,0,0,0|1,0,2]=4 1422 B16R1.643 CCCC#CCCOCCc1ccccc1 7a_100000042726_100000765856 [0,0,1,0,0,0|1,0,2]=4 1423 B16R1.643 CCCC/C=C/COCCc1ccccc1 34a_200016272032_100000765856 [0,0,1,0,0,0|1,0,2]=4 1424 B16R1.643 CCCC/C=C/COCCc1ccccc1 7a_200016272032_100000765856 [0,0,1,0,0,0|1,0,2]=4 1425 B16R1.643 CCCCC#CCOCCc1ccccc1 34a_200000034558_100000765856 [0,0,1,0,0,0|1,0,2]=4 1426 B16R1.643 CCCCC#CCOCCc1ccccc1 7a_200000034558_100000765856 [0,0,1,0,0,0|1,0,2]=4 1427 B16R1.643 CCCCCC=NNCCc1ccccc1 4a_100000740470_100000737632 [0,0,1,0,0,0|1,0,1]=3 1428 B16R1.643 CCCCCCC=NNCc1ccccc1 4a_100000007032_100000234349 [0,0,1,0,0,0|1,0,2]=4 1429 B16R1.643 CCCCCCCC=NNc1ccccc1 4a_100015195140_100000210592 [0,0,1,0,0,0|3,0,0]=4 1430 B16R1.643 CCCCCCCCCCc1ccccc1 271570a_100000061613_100000210277 [0,0,1,0,0,0|1,0,0]=2 1431 B16R1.643 CCCCCCCCCCc1ccccn1 271570a_100000061613_100011216584 [0,0,1,0,0,0|2,0,0]=3 1432 B16R1.643 CCCCCCCCCCc1cccnc1 271570a_100000061613_100000752921 [0,0,1,0,0,0|2,0,0]=3 1433 B16R1.643 CCCCCCCCCCc1cccnn1 271570a_100000061613_100016991348 [0,0,1,0,0,0|3,0,0]=4 1434 B16R1.643 CCCCCCCCCCc1ccncc1 271570a_100000061613_100000035832 [0,0,1,0,0,0|2,0,0]=3 1435 B16R1.643 CCCCCCCCCCc1ccncn1 271570a_100000061613_100000703185 [0,0,1,0,0,0|3,0,0]=4 1436 B16R1.643 CCCCCCCCCCc1ccnnc1 271570a_100000061613_100000732662 [0,0,1,0,0,0|3,0,0]=4 1437 B16R1.643 CCCCCCCCCCc1cnccn1 271570a_100000061613_100000758340 [0,0,1,0,0,0|3,0,0]=4 1438 B16R1.643 CCCCCCCCCCc1cncnc1 271570a_100000061613_100011206942 [0,0,1,0,0,0|3,0,0]=4 1439 B16R1.643 CCCCCCCCCCc1ncccn1 271570a_100000061613_100000211032 [0,0,1,0,0,0|3,0,0]=4 1440 B16R1.643 CCCCCCCCCNc1ccccc1 34a_100000106764_100011214924 [0,0,1,0,0,0|2,0,0]=3 1441 B16R1.643 CCCCCCCCCOc1ccccc1 34a_100000210340_100011214924 [0,0,1,0,0,0|2,0,0]=3 1442 B16R1.643 CCCCCCCCCOc1ccccc1 7a_100000210340_100000210328 [0,0,1,0,0,0|2,0,0]=3 1443 B16R1.643 CCCCCCCCCOc1cccnc1 34a_100000210849_100011214924 [0,0,1,0,0,0|3,0,0]=4 1444 B16R1.643 CCCCCCCCCOc1cccnc1 7a_100000210849_100000210328 [0,0,1,0,0,0|3,0,0]=4 1445 B16R1.643 CCCCCCCCCOc1ccncc1 34a_100000212176_100011214924 [0,0,1,0,0,0|3,0,0]=4 1446 B16R1.643 CCCCCCCCCSc1ccccc1 62a_100000719477_100000210670 [0,0,1,0,0,0|2,0,0]=3 1447 B16R1.643 CCCCCCCCCSc1ccccn1 62a_100011216584_100000210670 [0,0,1,0,0,0|3,0,0]=4 1448 B16R1.643 CCCCCCCCCSc1cccnc1 62a_100000210063_100000210670 [0,0,1,0,0,0|3,0,0]=4 1449 B16R1.643 CCCCCCCCCSc1ccncc1 62a_100000728582_100000210670 [0,0,1,0,0,0|3,0,0]=4 1450 B16R1.643 CCCCCCCCNCc1ccccc1 207a_100000229939_100015611070 [0,0,1,0,0,0|2,0,0]=3 1451 B16R1.643 CCCCCCCCNCc1ccccc1 2230a_100000229939_100015291786 [0,0,1,0,0,0|2,0,0]=3 1452 B16R1.643 CCCCCCCCNCc1ccccc1 2230a_100015324214_100000210759 [0,0,1,0,0,0|2,0,0]=3 1453 B16R1.643 CCCCCCCCNCc1ccccc1 270004a_100000229939_100015611070 [0,0,1,0,0,0|2,0,0]=3 1454 B16R1.643 CCCCCCCCNCc1ccccc1 34a_100000229939_100015291786 [0,0,1,0,0,0|2,0,0]=3 1455 B16R1.643 CCCCCCCCNCc1ccccc1 34a_100015324214_100000210759 [0,0,1,0,0,0|2,0,0]=3 1456 B16R1.643 CCCCCCCCNCc1ccccn1 207a_100000229939_100000209966 [0,0,1,0,0,0|3,0,0]=4 1457 B16R1.643 CCCCCCCCNCc1ccccn1 2230a_100000229939_100000721315 [0,0,1,0,0,0|3,0,0]=4 1458 B16R1.643 CCCCCCCCNCc1ccccn1 270004a_100000229939_100000209966 [0,0,1,0,0,0|3,0,0]=4 1459 B16R1.643 CCCCCCCCNCc1ccccn1 34a_100000229939_100000721315 [0,0,1,0,0,0|3,0,0]=4 1460 B16R1.643 CCCCCCCCNCc1cccnc1 207a_100000229939_100000209961 [0,0,1,0,0,0|3,0,0]=4 1461 B16R1.643 CCCCCCCCNCc1cccnc1 2230a_100000229939_100000741622 [0,0,1,0,0,0|3,0,0]=4 1462 B16R1.643 CCCCCCCCNCc1cccnc1 270004a_100000229939_100000209961 [0,0,1,0,0,0|3,0,0]=4 1463 B16R1.643 CCCCCCCCNCc1cccnc1 34a_100000229939_100000733263 [0,0,1,0,0,0|3,0,0]=4 1464 B16R1.643 CCCCCCCCNCc1ccncc1 207a_100000229939_100000186114 [0,0,1,0,0,0|3,0,0]=4 1465 B16R1.643 CCCCCCCCNCc1ccncc1 2230a_100000229939_100015193705 [0,0,1,0,0,0|3,0,0]=4 1466 B16R1.643 CCCCCCCCOCc1ccccc1 34a_100000210232_100015291786 [0,0,1,0,0,0|2,0,0]=3 1467 B16R1.643 CCCCCCCCOCc1ccccc1 34a_100000210790_100000210759 [0,0,1,0,0,0|2,0,0]=3 1468 B16R1.643 CCCCCCCCOCc1ccccc1 7a_100000210232_100000211182 [0,0,1,0,0,0|2,0,0]=3 1469 B16R1.643 CCCCCCCCOCc1ccccc1 7a_100000210790_100000210759 [0,0,1,0,0,0|2,0,0]=3 1470 B16R1.643 CCCCCCCCOCc1ccccn1 34a_100000210232_100000721315 [0,0,1,0,0,0|3,0,0]=4 1471 B16R1.643 CCCCCCCCOCc1ccccn1 7a_100000210232_100000721315 [0,0,1,0,0,0|3,0,0]=4 1472 B16R1.643 CCCCCCCCOCc1cccnc1 34a_100000210232_100000733263 [0,0,1,0,0,0|3,0,0]=4 1473 B16R1.643 CCCCCCCCOCc1cccnc1 7a_100000210232_100000741622 [0,0,1,0,0,0|3,0,0]=4 1474 B16R1.643 CCCCCCCCOCc1ccncc1 7a_100000210232_100015193705 [0,0,1,0,0,0|3,0,0]=4 1475 B16R1.643 CCCCCCCCSCc1ccccc1 62a_100000210759_100015291786 [0,0,1,0,0,0|2,0,0]=3 1476 B16R1.643 CCCCCCCCSCc1ccccc1 62a_100000211182_100000210317 [0,0,1,0,0,0|2,0,0]=3 1477 B16R1.643 CCCCCCCCSCc1ccccn1 62a_100000210759_100000721315 [0,0,1,0,0,0|3,0,0]=4 1478 B16R1.643 CCCCCCCCSCc1ccccn1 62a_100000721315_100000210317 [0,0,1,0,0,0|3,0,0]=4 1479 B16R1.643 CCCCCCCCSCc1cccnc1 62a_100000210759_100000741622 [0,0,1,0,0,0|3,0,0]=4 1480 B16R1.643 CCCCCCCCSCc1cccnc1 62a_100000741622_100000210317 [0,0,1,0,0,0|3,0,0]=4 1481 B16R1.643 CCCCCCCCSCc1ccncc1 62a_100000210759_100015193705 [0,0,1,0,0,0|3,0,0]=4 1482 B16R1.643 CCCCCCCCSCc1ccncc1 62a_100015193705_100000210317 [0,0,1,0,0,0|3,0,0]=4 1483 B16R1.643 CCCCCCCNCCc1ccccc1 2230a_100000106460_100000210681 [0,0,1,0,0,0|0,0,0]=1 1484 B16R1.643 CCCCCCCNCCc1ccccc1 2230a_100000229938_100000765856 [0,0,1,0,0,0|0,0,0]=1 1485 B16R1.643 CCCCCCCNCCc1ccccc1 34a_100000106460_100000210614 [0,0,1,0,0,0|0,0,0]=1 1486 B16R1.643 CCCCCCCNCCc1ccccn1 2230a_100000229938_100015183660 [0,0,1,0,0,0|1,0,0]=2 1487 B16R1.643 CCCCCCCNCCc1cccnc1 2230a_100000229938_200011713674 [0,0,1,0,0,0|1,0,0]=2 1488 B16R1.643 CCCCCCCNCCc1cccnc1 2230a_100000736294_100000210681 [0,0,1,0,0,0|1,0,0]=2 1489 B16R1.643 CCCCCCCNCCc1ccncc1 2230a_100000229938_100000723409 [0,0,1,0,0,0|1,0,0]=2 1490 B16R1.643 CCCCCCCNCSc1ccccc1 2230a_100000229938_100011218342 [0,0,1,0,0,0|1,0,0]=2 1491 B16R1.643 CCCCCCCOCCc1ccccc1 34a_100000210268_100000210614 [0,0,1,0,0,0|1,0,0]=2 1492 B16R1.643 CCCCCCCOCCc1ccccc1 34a_100000210272_100000765856 [0,0,1,0,0,0|1,0,0]=2 1493 B16R1.643 CCCCCCCOCCc1ccccc1 7a_100000210268_100000210614 [0,0,1,0,0,0|1,0,0]=2 1494 B16R1.643 CCCCCCCOCCc1ccccc1 7a_100000210272_100000765856 [0,0,1,0,0,0|1,0,0]=2 1495 B16R1.643 CCCCCCCOCCc1ccccn1 34a_100000210271_100000210614 [0,0,1,0,0,0|2,0,0]=3 1496 B16R1.643 CCCCCCCOCCc1ccccn1 7a_100000210272_100015183660 [0,0,1,0,0,0|2,0,0]=3 1497 B16R1.643 CCCCCCCOCCc1cccnc1 34a_100011217484_100000210614 [0,0,1,0,0,0|2,0,0]=3 1498 B16R1.643 CCCCCCCOCCc1cccnc1 7a_100000210272_200011713674 [0,0,1,0,0,0|2,0,0]=3 1499 B16R1.643 CCCCCCCOCCc1ccncc1 34a_100011216225_100000210614 [0,0,1,0,0,0|2,0,0]=3 1500 B16R1.643 CCCCCCCOCCc1ccncc1 7a_100000210272_100000723409 [0,0,1,0,0,0|2,0,0]=3 1501 B16R1.643 CCCCCCCOCCc1cnccn1 34a_100011349526_100000210614 [0,0,1,0,0,0|3,0,0]=4 1502 B16R1.643 CCCCCCCOCCc1cncnc1 34a_100011709255_100000210614 [0,0,1,0,0,0|3,0,0]=4 1503 B16R1.643 CCCCCCCSCCc1ccccc1 62a_100000210614_100011218657 [0,0,1,0,0,0|1,0,0]=2 1504 B16R1.643 CCCCCCCSCCc1ccccc1 62a_100000765856_100000210316 [0,0,1,0,0,0|1,0,0]=2 1505 B16R1.643 CCCCCCCSCCc1ccccn1 62a_100000210614_100015183660 [0,0,1,0,0,0|2,0,0]=3 1506 B16R1.643 CCCCCCCSCCc1ccccn1 62a_100015183660_100000210316 [0,0,1,0,0,0|2,0,0]=3 1507 B16R1.643 CCCCCCCSCCc1cccnc1 62a_100000210614_200011713674 [0,0,1,0,0,0|2,0,0]=3 1508 B16R1.643 CCCCCCCSCCc1cccnc1 62a_200011713674_100000210316 [0,0,1,0,0,0|2,0,0]=3 1509 B16R1.643 CCCCCCCSCCc1ccncc1 62a_100000210614_100000723409 [0,0,1,0,0,0|2,0,0]=3 1510 B16R1.643 CCCCCCCSCCc1ccncc1 62a_100000723409_100000210316 [0,0,1,0,0,0|2,0,0]=3 1511 B16R1.643 CCCCCCCSCSc1ccccc1 62a_100000210614_100011218342 [0,0,1,0,0,0|2,0,0]=3 1512 B16R1.643 CCCCCCCSCSc1ccccc1 62a_100011218342_100000210316 [0,0,1,0,0,0|2,0,0]=3 1513 B16R1.643 CCCCCCNCCCc1ccccc1 2230a_100000210581_100000211621 [0,0,1,0,0,0|2,0,0]=3 1514 B16R1.643 CCCCCCNCCCc1ccccc1 2230a_100000211184_100000210314 [0,0,1,0,0,0|2,0,0]=3 1515 B16R1.643 CCCCCCNCCCc1ccccc1 34a_100000211184_100000210314 [0,0,1,0,0,0|2,0,0]=3 1516 B16R1.643 CCCCCCNCCCc1cccnc1 2230a_100011532358_100000210314 [0,0,1,0,0,0|3,0,0]=4 1517 B16R1.643 CCCCCCNCCCc1cccnc1 34a_100011532358_100000210314 [0,0,1,0,0,0|3,0,0]=4 1518 B16R1.643 CCCCCCNCCCc1ccncc1 2230a_100011275580_100000210314 [0,0,1,0,0,0|3,0,0]=4 1519 B16R1.643 CCCCCCNCCOc1ccccc1 2230a_100000174943_100000210314 [0,0,1,0,0,0|3,0,0]=4 1520 B16R1.643 CCCCCCNCCOc1ccccc1 2230a_100000210581_100000184471 [0,0,1,0,0,0|3,0,0]=4 1521 B16R1.643 CCCCCCNCCOc1ccccc1 270004a_100000210581_100000758736 [0,0,1,0,0,0|3,0,0]=4 1522 B16R1.643 CCCCCCNCCOc1ccccc1 34a_100000174943_100000210314 [0,0,1,0,0,0|3,0,0]=4 1523 B16R1.643 CCCCCCNCCSc1ccccc1 2230a_100000189519_100000210314 [0,0,1,0,0,0|3,0,0]=4 1524 B16R1.643 CCCCCCNCCSc1ccccc1 2230a_100000210581_100000246102 [0,0,1,0,0,0|3,0,0]=4 1525 B16R1.643 CCCCCCNCOCc1ccccc1 2230a_100000210581_100000763385 [0,0,1,0,0,0|3,0,0]=4 1526 B16R1.643 CCCCCCNCSCc1ccccc1 2230a_100000210581_200011217039 [0,0,1,0,0,0|3,0,0]=4 1527 B16R1.643 CCCCCCOCCCc1ccccc1 34a_100000210259_100000211621 [0,0,1,0,0,0|2,0,0]=3 1528 B16R1.643 CCCCCCOCCCc1ccccc1 34a_100000210828_100000210314 [0,0,1,0,0,0|2,0,0]=3 1529 B16R1.643 CCCCCCOCCCc1ccccc1 7a_100000210259_100000211621 [0,0,1,0,0,0|2,0,0]=3 1530 B16R1.643 CCCCCCOCCCc1ccccc1 7a_100000210828_100000210314 [0,0,1,0,0,0|2,0,0]=3 1531 B16R1.643 CCCCCCOCCCc1ccccn1 34a_100011215068_100000210314 [0,0,1,0,0,0|3,0,0]=4 1532 B16R1.643 CCCCCCOCCCc1cccnc1 34a_100000211284_100000210314 [0,0,1,0,0,0|3,0,0]=4 1533 B16R1.643 CCCCCCOCCCc1ccncc1 34a_100000210659_100000210314 [0,0,1,0,0,0|3,0,0]=4 1534 B16R1.643 CCCCCCOCCNc1ccccc1 34a_100000211345_100000210314 [0,0,1,0,0,0|3,0,0]=4 1535 B16R1.643 CCCCCCOCCOc1ccccc1 34a_100000210259_100000184471 [0,0,1,0,0,0|3,0,0]=4 1536 B16R1.643 CCCCCCOCCOc1ccccc1 34a_100000210260_100000210314 [0,0,1,0,0,0|3,0,0]=4 1537 B16R1.643 CCCCCCOCCOc1ccccc1 7a_100000210259_100000184471 [0,0,1,0,0,0|3,0,0]=4 1538 B16R1.643 CCCCCCOCCOc1ccccc1 7a_100000210260_100000210314 [0,0,1,0,0,0|3,0,0]=4 1539 B16R1.643 CCCCCCOCCSc1ccccc1 34a_100000210259_100000246102 [0,0,1,0,0,0|3,0,0]=4 1540 B16R1.643 CCCCCCOCCSc1ccccc1 7a_100000210259_100000246102 [0,0,1,0,0,0|3,0,0]=4 1541 B16R1.643 CCCCCCOCCSc1ccccc1 7a_100000230494_100000210314 [0,0,1,0,0,0|3,0,0]=4 1542 B16R1.643 CCCCCCOCOCc1ccccc1 34a_100000210259_100000763385 [0,0,1,0,0,0|3,0,0]=4 1543 B16R1.643 CCCCCCOCSCc1ccccc1 34a_100000210259_200011217039 [0,0,1,0,0,0|3,0,0]=4 1544 B16R1.643 CCCCCCSCCCc1ccccc1 62a_100000210314_100000211621 [0,0,1,0,0,0|2,0,0]=3 1545 B16R1.643 CCCCCCSCCCc1ccccc1 62a_100000211621_100000210757 [0,0,1,0,0,0|2,0,0]=3 1546 B16R1.643 CCCCCCSCCOc1ccccc1 62a_100000184471_100000210757 [0,0,1,0,0,0|3,0,0]=4 1547 B16R1.643 CCCCCCSCCOc1ccccc1 62a_100000210314_100000184471 [0,0,1,0,0,0|3,0,0]=4 1548 B16R1.643 CCCCCCSCCSc1ccccc1 62a_100000210314_100000246102 [0,0,1,0,0,0|3,0,0]=4 1549 B16R1.643 CCCCCCSCCSc1ccccc1 62a_100000246102_100000210757 [0,0,1,0,0,0|3,0,0]=4 1550 B16R1.643 CCCCCCSCOCc1ccccc1 62a_100000210314_100000763385 [0,0,1,0,0,0|3,0,0]=4 1551 B16R1.643 CCCCCCSCOCc1ccccc1 62a_100000763385_100000210757 [0,0,1,0,0,0|3,0,0]=4 1552 B16R1.643 CCCCCCSCSCc1ccccc1 62a_100000210314_200011217039 [0,0,1,0,0,0|3,0,0]=4 1553 B16R1.643 CCCCCCSCSCc1ccccc1 62a_200011217039_100000210757 [0,0,1,0,0,0|3,0,0]=4 1554 B16R1.643 CCCCCNCCCCc1ccccc1 2230a_100000209983_100000701786 [0,0,1,0,0,0|2,0,0]=3 1555 B16R1.643 CCCCCNCCCCc1ccccc1 2230a_100015280158_100000210326 [0,0,1,0,0,0|2,0,0]=3 1556 B16R1.643 CCCCCNCCCCc1ccccc1 34a_100015280158_100000718602 [0,0,1,0,0,0|2,0,0]=3 1557 B16R1.643 CCCCCNCCCCc1ccncc1 2230a_100000209983_100020630000 [0,0,1,0,0,0|3,0,0]=4 1558 B16R1.643 CCCCCNCCCOc1ccccc1 2230a_100000209983_100000199009 [0,0,1,0,0,0|3,0,0]=4 1559 B16R1.643 CCCCCNCCCOc1ccccc1 2230a_100000216521_100000210326 [0,0,1,0,0,0|3,0,0]=4 1560 B16R1.643 CCCCCNCCCOc1ccccc1 34a_100000216521_100000718602 [0,0,1,0,0,0|3,0,0]=4 1561 B16R1.643 CCCCCNCCCSc1ccccc1 2230a_100000184639_100000210326 [0,0,1,0,0,0|3,0,0]=4 1562 B16R1.643 CCCCCNCCCSc1ccccc1 2230a_100000209983_200011203293 [0,0,1,0,0,0|3,0,0]=4 1563 B16R1.643 CCCCCNCCOCc1ccccc1 2230a_100000209983_100000234347 [0,0,1,0,0,0|3,0,0]=4 1564 B16R1.643 CCCCCNCCOCc1ccccc1 2230a_100000753106_100000210326 [0,0,1,0,0,0|3,0,0]=4 1565 B16R1.643 CCCCCNCCOCc1ccccc1 34a_100000224656_100015291786 [0,0,1,0,0,0|3,0,0]=4 1566 B16R1.643 CCCCCNCCOCc1ccccc1 34a_100000753106_100000718602 [0,0,1,0,0,0|3,0,0]=4 1567 B16R1.643 CCCCCNCCSCc1ccccc1 2230a_100000189534_100000210326 [0,0,1,0,0,0|3,0,0]=4 1568 B16R1.643 CCCCCNCCSCc1ccccc1 2230a_100000209983_200011297719 [0,0,1,0,0,0|3,0,0]=4 1569 B16R1.643 CCCCCNCCSCc1ccccc1 34a_100000189534_100000718602 [0,0,1,0,0,0|3,0,0]=4 1570 B16R1.643 CCCCCNCCSCc1ccccc1 7a_100000189534_100000210326 [0,0,1,0,0,0|3,0,0]=4 1571 B16R1.643 CCCCCNN=CCCc1ccccc1 4a_100000694160_100000198083 [0,0,1,0,0,0|3,0,0]=4 1572 B16R1.643 CCCCCOCCCCc1ccccc1 34a_100000210253_100000701786 [0,0,1,0,0,0|2,0,0]=3 1573 B16R1.643 CCCCCOCCCCc1ccccc1 34a_100000703073_100000718602 [0,0,1,0,0,0|2,0,0]=3 1574 B16R1.643 CCCCCOCCCCc1ccccc1 7a_100000210253_100000701786 [0,0,1,0,0,0|2,0,0]=3 1575 B16R1.643 CCCCCOCCCCc1ccccc1 7a_100000703073_100000210326 [0,0,1,0,0,0|2,0,0]=3 1576 B16R1.643 CCCCCOCCCCc1ccccn1 34a_100012186994_100000718602 [0,0,1,0,0,0|3,0,0]=4 1577 B16R1.643 CCCCCOCCCCc1cccnc1 34a_100012039607_100000718602 [0,0,1,0,0,0|3,0,0]=4 1578 B16R1.643 CCCCCOCCCCc1cccnc1 7a_100012039607_100000210326 [0,0,1,0,0,0|3,0,0]=4 1579 B16R1.643 CCCCCOCCCCc1ccncc1 34a_100011787716_100000718602 [0,0,1,0,0,0|3,0,0]=4 1580 B16R1.643 CCCCCOCCCCc1ccncc1 7a_100000210253_100020630000 [0,0,1,0,0,0|3,0,0]=4 1581 B16R1.643 CCCCCOCCCNc1ccccc1 34a_100000212590_100000718602 [0,0,1,0,0,0|3,0,0]=4 1582 B16R1.643 CCCCCOCCCOc1ccccc1 34a_100000210253_100000199009 [0,0,1,0,0,0|3,0,0]=4 1583 B16R1.643 CCCCCOCCCOc1ccccc1 34a_100011215863_100000718602 [0,0,1,0,0,0|3,0,0]=4 1584 B16R1.643 CCCCCOCCCOc1ccccc1 7a_100000210253_100000199009 [0,0,1,0,0,0|3,0,0]=4 1585 B16R1.643 CCCCCOCCCOc1ccccc1 7a_100011215863_100000210326 [0,0,1,0,0,0|3,0,0]=4 1586 B16R1.643 CCCCCOCCCSc1ccccc1 34a_100000210253_200011203293 [0,0,1,0,0,0|3,0,0]=4 1587 B16R1.643 CCCCCOCCCSc1ccccc1 7a_100000210253_200011203293 [0,0,1,0,0,0|3,0,0]=4 1588 B16R1.643 CCCCCOCCNCc1ccccc1 34a_100000180844_100000718602 [0,0,1,0,0,0|3,0,0]=4 1589 B16R1.643 CCCCCOCCOCc1ccccc1 34a_100000210253_100000234347 [0,0,1,0,0,0|3,0,0]=4 1590 B16R1.643 CCCCCOCCOCc1ccccc1 34a_100000759325_100000718602 [0,0,1,0,0,0|3,0,0]=4 1591 B16R1.643 CCCCCOCCOCc1ccccc1 34a_100011215259_100015291786 [0,0,1,0,0,0|3,0,0]=4 1592 B16R1.643 CCCCCOCCOCc1ccccc1 7a_100000210253_100000234347 [0,0,1,0,0,0|3,0,0]=4 1593 B16R1.643 CCCCCOCCOCc1ccccc1 7a_100000759325_100000210326 [0,0,1,0,0,0|3,0,0]=4 1594 B16R1.643 CCCCCOCCOCc1ccccc1 7a_100011215259_100000211182 [0,0,1,0,0,0|3,0,0]=4 1595 B16R1.643 CCCCCOCCSCc1ccccc1 34a_100000210253_200011297719 [0,0,1,0,0,0|3,0,0]=4 1596 B16R1.643 CCCCCOCCSCc1ccccc1 34a_100011205989_100000718602 [0,0,1,0,0,0|3,0,0]=4 1597 B16R1.643 CCCCCOCCSCc1ccccc1 7a_100011205989_100000210326 [0,0,1,0,0,0|3,0,0]=4 1598 B16R1.643 CCCCCSCCCCc1ccccc1 62a_100000210326_100000701786 [0,0,1,0,0,0|2,0,0]=3 1599 B16R1.643 CCCCCSCCCCc1ccccc1 62a_100000701786_100000210326 [0,0,1,0,0,0|2,0,0]=3 1600 B16R1.643 CCCCCSCCCCc1ccncc1 62a_100000210326_100020630000 [0,0,1,0,0,0|3,0,0]=4 1601 B16R1.643 CCCCCSCCCCc1ccncc1 62a_100020630000_100000210326 [0,0,1,0,0,0|3,0,0]=4 1602 B16R1.643 CCCCCSCCCOc1ccccc1 62a_100000199009_100000210326 [0,0,1,0,0,0|3,0,0]=4 1603 B16R1.643 CCCCCSCCCOc1ccccc1 62a_100000210326_100000199009 [0,0,1,0,0,0|3,0,0]=4 1604 B16R1.643 CCCCCSCCCSc1ccccc1 62a_100000210326_200011203293 [0,0,1,0,0,0|3,0,0]=4 1605 B16R1.643 CCCCCSCCCSc1ccccc1 62a_200011203293_100000210326 [0,0,1,0,0,0|3,0,0]=4 1606 B16R1.643 CCCCCSCCOCc1ccccc1 62a_100000210326_100000234347 [0,0,1,0,0,0|3,0,0]=4 1607 B16R1.643 CCCCCSCCOCc1ccccc1 62a_100000234347_100000210326 [0,0,1,0,0,0|3,0,0]=4 1608 B16R1.643 CCCCCSCCSCc1ccccc1 62a_100000210326_200011297719 [0,0,1,0,0,0|3,0,0]=4 1609 B16R1.643 CCCCCSCCSCc1ccccc1 62a_200011297719_100000210326 [0,0,1,0,0,0|3,0,0]=4 1610 B16R1.643 CCCCNCCCCCc1ccccc1 2230a_100000102301_200011217138 [0,0,1,0,0,0|2,0,0]=3 1611 B16R1.643 CCCCNCCCCCc1ccccc1 2230a_100000750932_100000210211 [0,0,1,0,0,0|2,0,0]=3 1612 B16R1.643 CCCCNCCCCCc1ccccc1 34a_100000750932_100000210210 [0,0,1,0,0,0|2,0,0]=3 1613 B16R1.643 CCCCNCCCCCc1ccccc1 7a_106832991798_200011217138 [0,0,1,0,0,0|2,0,0]=3 1614 B16R1.643 CCCCNCCCCOc1ccccc1 2230a_100000102301_100011215240 [0,0,1,0,0,0|3,0,0]=4 1615 B16R1.643 CCCCNCCCCOc1ccccc1 7a_106832991798_100011215240 [0,0,1,0,0,0|3,0,0]=4 1616 B16R1.643 CCCCNCCCOCc1ccccc1 2230a_100000102301_100011215529 [0,0,1,0,0,0|3,0,0]=4 1617 B16R1.643 CCCCNCCCOCc1ccccc1 2230a_200000206031_100000210211 [0,0,1,0,0,0|3,0,0]=4 1618 B16R1.643 CCCCNCCCOCc1ccccc1 34a_200000206031_100000210210 [0,0,1,0,0,0|3,0,0]=4 1619 B16R1.643 CCCCNCCCOCc1ccccc1 7a_106832991798_100011215529 [0,0,1,0,0,0|3,0,0]=4 1620 B16R1.643 CCCCOCCCCCc1ccccc1 34a_100000210227_200011217138 [0,0,1,0,0,0|2,0,0]=3 1621 B16R1.643 CCCCOCCCCCc1ccccc1 34a_200011219639_100000210210 [0,0,1,0,0,0|2,0,0]=3 1622 B16R1.643 CCCCOCCCCCc1ccccc1 7a_100000210227_200011217138 [0,0,1,0,0,0|2,0,0]=3 1623 B16R1.643 CCCCOCCCCCc1ccccc1 7a_200011219639_100000210211 [0,0,1,0,0,0|2,0,0]=3 1624 B16R1.643 CCCCOCCCCOc1ccccc1 34a_100000210227_100011215240 [0,0,1,0,0,0|3,0,0]=4 1625 B16R1.643 CCCCOCCCCOc1ccccc1 34a_100000752354_100000210210 [0,0,1,0,0,0|3,0,0]=4 1626 B16R1.643 CCCCOCCCCOc1ccccc1 7a_100000210227_100011215240 [0,0,1,0,0,0|3,0,0]=4 1627 B16R1.643 CCCCOCCCCOc1ccccc1 7a_100000752354_100000210211 [0,0,1,0,0,0|3,0,0]=4 1628 B16R1.643 CCCCOCCCNCc1ccccc1 207a_200000211371_100015611070 [0,0,1,0,0,0|3,0,0]=4 1629 B16R1.643 CCCCOCCCNCc1ccccc1 2230a_200000211371_100015291786 [0,0,1,0,0,0|3,0,0]=4 1630 B16R1.643 CCCCOCCCNCc1ccccc1 270004a_200000211371_100015611070 [0,0,1,0,0,0|3,0,0]=4 1631 B16R1.643 CCCCOCCCNCc1ccccc1 34a_100000185501_100000210210 [0,0,1,0,0,0|3,0,0]=4 1632 B16R1.643 CCCCOCCCNCc1ccccc1 34a_200000211371_100015291786 [0,0,1,0,0,0|3,0,0]=4 1633 B16R1.643 CCCCOCCCOCc1ccccc1 34a_100000210227_100011215529 [0,0,1,0,0,0|3,0,0]=4 1634 B16R1.643 CCCCOCCCOCc1ccccc1 34a_100000691849_100000210210 [0,0,1,0,0,0|3,0,0]=4 1635 B16R1.643 CCCCOCCCOCc1ccccc1 34a_200011215613_100015291786 [0,0,1,0,0,0|3,0,0]=4 1636 B16R1.643 CCCCOCCCOCc1ccccc1 7a_100000210227_100011215529 [0,0,1,0,0,0|3,0,0]=4 1637 B16R1.643 CCCCOCCCOCc1ccccc1 7a_100000691849_100000210211 [0,0,1,0,0,0|3,0,0]=4 1638 B16R1.643 CCCCOCCCOCc1ccccc1 7a_200011215613_100000211182 [0,0,1,0,0,0|3,0,0]=4 1639 B16R1.643 CCCCOCCNCCc1ccccc1 2230a_100000106460_100000743108 [0,0,1,0,0,0|1,0,0]=2 1640 B16R1.643 CCCCOCCNCCc1ccccc1 34a_100000106460_100000743108 [0,0,1,0,0,0|1,0,0]=2 1641 B16R1.643 CCCCOCCNCCc1cccnc1 2230a_100000736294_100000743108 [0,0,1,0,0,0|2,0,0]=3 1642 B16R1.643 CCCCOCCOCCc1ccccc1 34a_100000210238_100000765856 [0,0,1,0,0,0|2,0,0]=3 1643 B16R1.643 CCCCOCCOCCc1ccccc1 34a_100000210268_100000743108 [0,0,1,0,0,0|2,0,0]=3 1644 B16R1.643 CCCCOCCOCCc1ccccc1 7a_100000210238_100000765856 [0,0,1,0,0,0|2,0,0]=3 1645 B16R1.643 CCCCOCCOCCc1ccccc1 7a_100000210268_100000743108 [0,0,1,0,0,0|2,0,0]=3 1646 B16R1.643 CCCCOCCOCCc1ccccn1 34a_100000210271_100000743108 [0,0,1,0,0,0|3,0,0]=4 1647 B16R1.643 CCCCOCCOCCc1ccccn1 7a_100000210238_100015183660 [0,0,1,0,0,0|3,0,0]=4 1648 B16R1.643 CCCCOCCOCCc1cccnc1 34a_100011217484_100000743108 [0,0,1,0,0,0|3,0,0]=4 1649 B16R1.643 CCCCOCCOCCc1cccnc1 7a_100000210238_200011713674 [0,0,1,0,0,0|3,0,0]=4 1650 B16R1.643 CCCCOCCOCCc1ccncc1 34a_100011216225_100000743108 [0,0,1,0,0,0|3,0,0]=4 1651 B16R1.643 CCCCOCCOCCc1ccncc1 7a_100000210238_100000723409 [0,0,1,0,0,0|3,0,0]=4 1652 B16R1.643 CCCCOCCSCCc1ccccc1 62a_100000743108_100011218657 [0,0,1,0,0,0|2,0,0]=3 1653 B16R1.643 CCCCOCCSCCc1ccccc1 62a_100000765856_100000743108 [0,0,1,0,0,0|2,0,0]=3 1654 B16R1.643 CCCCOCCSCCc1ccccn1 34a_100011362645_100000210210 [0,0,1,0,0,0|3,0,0]=4 1655 B16R1.643 CCCCOCCSCCc1ccccn1 62a_100000743108_100015183660 [0,0,1,0,0,0|3,0,0]=4 1656 B16R1.643 CCCCOCCSCCc1ccccn1 62a_100015183660_100000743108 [0,0,1,0,0,0|3,0,0]=4 1657 B16R1.643 CCCCOCCSCCc1ccccn1 7a_100011362645_100000210211 [0,0,1,0,0,0|3,0,0]=4 1658 B16R1.643 CCCCOCCSCCc1cccnc1 62a_100000743108_200011713674 [0,0,1,0,0,0|3,0,0]=4 1659 B16R1.643 CCCCOCCSCCc1cccnc1 62a_200011713674_100000743108 [0,0,1,0,0,0|3,0,0]=4 1660 B16R1.643 CCCCOCCSCCc1ccncc1 34a_200011193335_100000210210 [0,0,1,0,0,0|3,0,0]=4 1661 B16R1.643 CCCCOCCSCCc1ccncc1 62a_100000723409_100000743108 [0,0,1,0,0,0|3,0,0]=4 1662 B16R1.643 CCCCOCCSCCc1ccncc1 62a_100000743108_100000723409 [0,0,1,0,0,0|3,0,0]=4 1663 B16R1.643 CCCCOCCSCCc1ccncc1 7a_200011193335_100000210211 [0,0,1,0,0,0|3,0,0]=4 1664 B16R1.643 CCCCOCCSCSc1ccccc1 62a_100000743108_100011218342 [0,0,1,0,0,0|3,0,0]=4 1665 B16R1.643 CCCCOCCSCSc1ccccc1 62a_100011218342_100000743108 [0,0,1,0,0,0|3,0,0]=4 1666 B16R1.643 CCCCOCNCCCc1ccccc1 2230a_100000211184_100011995733 [0,0,1,0,0,0|3,0,0]=4 1667 B16R1.643 CCCCOCNCCCc1ccccc1 34a_100000211184_100011995733 [0,0,1,0,0,0|3,0,0]=4 1668 B16R1.643 CCCCOCOCCCc1ccccc1 34a_100000210828_100011995733 [0,0,1,0,0,0|3,0,0]=4 1669 B16R1.643 CCCCOCSCCCc1ccccc1 62a_100000211621_100011995733 [0,0,1,0,0,0|3,0,0]=4 1670 B16R1.643 CCCCOCSCCCc1ccccc1 62a_100011995733_100000211621 [0,0,1,0,0,0|3,0,0]=4 1671 B16R1.643 CCCCSCCCCCc1ccccc1 62a_100000210211_200011217138 [0,0,1,0,0,0|2,0,0]=3 1672 B16R1.643 CCCCSCCCCCc1ccccc1 62a_200011217138_100000210210 [0,0,1,0,0,0|2,0,0]=3 1673 B16R1.643 CCCCSCCCCOc1ccccc1 62a_100000210211_100011215240 [0,0,1,0,0,0|3,0,0]=4 1674 B16R1.643 CCCCSCCCCOc1ccccc1 62a_100011215240_100000210210 [0,0,1,0,0,0|3,0,0]=4 1675 B16R1.643 CCCCSCCCOCc1ccccc1 62a_100000210211_100011215529 [0,0,1,0,0,0|3,0,0]=4 1676 B16R1.643 CCCCSCCCOCc1ccccc1 62a_100011215529_100000210210 [0,0,1,0,0,0|3,0,0]=4 1677 B16R1.643 CCCCSCCNCCc1ccccc1 2230a_100025743550_100000765856 [0,0,1,0,0,0|1,0,0]=2 1678 B16R1.643 CCCCSCCNCCc1ccccn1 2230a_100025743550_100015183660 [0,0,1,0,0,0|2,0,0]=3 1679 B16R1.643 CCCCSCCNCCc1cccnc1 2230a_100025743550_200011713674 [0,0,1,0,0,0|2,0,0]=3 1680 B16R1.643 CCCCSCCNCCc1ccncc1 2230a_100025743550_100000723409 [0,0,1,0,0,0|2,0,0]=3 1681 B16R1.643 CCCCSCCNCSc1ccccc1 2230a_100025743550_100011218342 [0,0,1,0,0,0|2,0,0]=3 1682 B16R1.643 CCCCSCCOCCc1ccccc1 34a_200000230436_100000765856 [0,0,1,0,0,0|2,0,0]=3 1683 B16R1.643 CCCCSCCOCCc1ccccc1 7a_200000230436_100000765856 [0,0,1,0,0,0|2,0,0]=3 1684 B16R1.643 CCCCSCCOCCc1ccccn1 7a_200000230436_100015183660 [0,0,1,0,0,0|3,0,0]=4 1685 B16R1.643 CCCCSCCOCCc1cccnc1 7a_200000230436_200011713674 [0,0,1,0,0,0|3,0,0]=4 1686 B16R1.643 CCCCSCCOCCc1ccncc1 7a_200000230436_100000723409 [0,0,1,0,0,0|3,0,0]=4 1687 B16R1.643 CCCNCCCCOCc1ccccc1 2230a_100000748060_100000210303 [0,0,1,0,0,0|3,0,0]=4 1688 B16R1.643 CCCNCCCCOCc1ccccc1 34a_100000748060_100000210303 [0,0,1,0,0,0|3,0,0]=4 1689 B16R1.643 CCCOCCCCCCc1ccccc1 34a_100000210258_100011218729 [0,0,1,0,0,0|2,0,0]=3 1690 B16R1.643 CCCOCCCCCCc1ccccc1 34a_100011215581_100000210303 [0,0,1,0,0,0|2,0,0]=3 1691 B16R1.643 CCCOCCCCCCc1ccccc1 7a_100011215581_100000210303 [0,0,1,0,0,0|2,0,0]=3 1692 B16R1.643 CCCOCCCCCOc1ccccc1 34a_100000210258_200011777167 [0,0,1,0,0,0|3,0,0]=4 1693 B16R1.643 CCCOCCCCNCc1ccccc1 34a_100000186360_100000210303 [0,0,1,0,0,0|3,0,0]=4 1694 B16R1.643 CCCOCCCCOCc1ccccc1 34a_100000210258_100011219843 [0,0,1,0,0,0|3,0,0]=4 1695 B16R1.643 CCCOCCCCOCc1ccccc1 34a_100011215074_100000210303 [0,0,1,0,0,0|3,0,0]=4 1696 B16R1.643 CCCOCCCCOCc1ccccc1 7a_100011215074_100000210303 [0,0,1,0,0,0|3,0,0]=4 1697 B16R1.643 CCCOCCCNCCc1ccccc1 2230a_100011217757_100000765856 [0,0,1,0,0,0|1,0,0]=2 1698 B16R1.643 CCCOCCCNCCc1ccccc1 34a_100011217757_100000765856 [0,0,1,0,0,0|1,0,0]=2 1699 B16R1.643 CCCOCCCNCCc1ccccn1 2230a_100011217757_100015183660 [0,0,1,0,0,0|2,0,0]=3 1700 B16R1.643 CCCOCCCNCCc1cccnc1 2230a_100011217757_200011713674 [0,0,1,0,0,0|2,0,0]=3 1701 B16R1.643 CCCOCCCNCCc1ccncc1 2230a_100011217757_100000723409 [0,0,1,0,0,0|2,0,0]=3 1702 B16R1.643 CCCOCCCNCSc1ccccc1 2230a_100011217757_100011218342 [0,0,1,0,0,0|2,0,0]=3 1703 B16R1.643 CCCOCCNCCCc1ccccc1 2230a_100000211184_100011215938 [0,0,1,0,0,0|3,0,0]=4 1704 B16R1.643 CCCOCCNCCCc1ccccc1 2230a_100161115042_100000211621 [0,0,1,0,0,0|3,0,0]=4 1705 B16R1.643 CCCOCCNCCCc1ccccc1 34a_100000211184_100011215938 [0,0,1,0,0,0|3,0,0]=4 1706 B16R1.643 CCCOCCNCCCc1ccccc1 34a_100161115042_100000211621 [0,0,1,0,0,0|3,0,0]=4 1707 B16R1.643 CCCOCCOCCCc1ccccc1 34a_100000210828_100011215938 [0,0,1,0,0,0|3,0,0]=4 1708 B16R1.643 CCCOCCOCCCc1ccccc1 34a_100000752267_100000211621 [0,0,1,0,0,0|3,0,0]=4 1709 B16R1.643 CCCOCCOCCCc1ccccc1 7a_100000210828_100011215938 [0,0,1,0,0,0|3,0,0]=4 1710 B16R1.643 CCCOCCOCCCc1ccccc1 7a_100000752267_100000211621 [0,0,1,0,0,0|3,0,0]=4 1711 B16R1.643 CCCOCCSCCCc1ccccc1 62a_100000211621_100011215938 [0,0,1,0,0,0|3,0,0]=4 1712 B16R1.643 CCCOCCSCCCc1ccccc1 62a_100011215938_100000211621 [0,0,1,0,0,0|3,0,0]=4 1713 B16R1.643 CCCSCCCCCCc1ccccc1 62a_100000210303_100011218729 [0,0,1,0,0,0|2,0,0]=3 1714 B16R1.643 CCCSCCCCCCc1ccccc1 62a_100011218729_100000210303 [0,0,1,0,0,0|2,0,0]=3 1715 B16R1.643 CCCSCCCCCOc1ccccc1 62a_100000210303_200011777167 [0,0,1,0,0,0|3,0,0]=4 1716 B16R1.643 CCCSCCCCCOc1ccccc1 62a_200011777167_100000210303 [0,0,1,0,0,0|3,0,0]=4 1717 B16R1.643 CCCSCCCCOCc1ccccc1 62a_100000210303_100011219843 [0,0,1,0,0,0|3,0,0]=4 1718 B16R1.643 CCCSCCCCOCc1ccccc1 62a_100011219843_100000210303 [0,0,1,0,0,0|3,0,0]=4 1719 B16R1.643 CCCSCCNCCCc1ccccc1 2230a_100020603323_100000211621 [0,0,1,0,0,0|3,0,0]=4 1720 B16R1.643 CCCSCCOCCCc1ccccc1 34a_200000230433_100000211621 [0,0,1,0,0,0|3,0,0]=4 1721 B16R1.643 CCCSCCOCCCc1ccccc1 7a_200000230433_100000211621 [0,0,1,0,0,0|3,0,0]=4 1722 B16R1.643 CCNCCCCCCCc1ccccc1 2230a_100015525214_200009813472 [0,0,1,0,0,0|2,0,0]=3 1723 B16R1.643 CCNCCCCCCOc1ccccc1 2230a_100015525214_200012047174 [0,0,1,0,0,0|3,0,0]=4 1724 B16R1.643 CCNCCCCCOCc1ccccc1 2230a_100015525214_100012032903 [0,0,1,0,0,0|3,0,0]=4 1725 B16R1.643 CCOCCCCCCCc1ccccc1 34a_100000042756_100000210202 [0,0,1,0,0,0|2,0,0]=3 1726 B16R1.643 CCOCCCCCCCc1ccccc1 34a_100121572206_200009813472 [0,0,1,0,0,0|2,0,0]=3 1727 B16R1.643 CCOCCCCCCCc1ccccc1 7a_100000042756_100000210202 [0,0,1,0,0,0|2,0,0]=3 1728 B16R1.643 CCOCCCCCCOc1ccccc1 34a_100121572206_200012047174 [0,0,1,0,0,0|3,0,0]=4 1729 B16R1.643 CCOCCCCCNCc1ccccc1 34a_100011629535_100000210202 [0,0,1,0,0,0|3,0,0]=4 1730 B16R1.643 CCOCCCCCOCc1ccccc1 34a_100011215045_100000210202 [0,0,1,0,0,0|3,0,0]=4 1731 B16R1.643 CCOCCCCCOCc1ccccc1 34a_100121572206_100012032903 [0,0,1,0,0,0|3,0,0]=4 1732 B16R1.643 CCOCCCCCOCc1ccccc1 7a_100011215045_100000210202 [0,0,1,0,0,0|3,0,0]=4 1733 B16R1.643 CCOCCCNCCCc1ccccc1 2230a_100000210961_100000211621 [0,0,1,0,0,0|3,0,0]=4 1734 B16R1.643 CCOCCCNCCCc1ccccc1 2230a_100000211184_100012232248 [0,0,1,0,0,0|3,0,0]=4 1735 B16R1.643 CCOCCCNCCCc1ccccc1 34a_100000210961_100000211621 [0,0,1,0,0,0|3,0,0]=4 1736 B16R1.643 CCOCCCNCCCc1ccccc1 34a_100000211184_100012232248 [0,0,1,0,0,0|3,0,0]=4 1737 B16R1.643 CCOCCCOCCCc1ccccc1 34a_100000210828_100012232248 [0,0,1,0,0,0|3,0,0]=4 1738 B16R1.643 CCOCCCOCCCc1ccccc1 34a_100000757476_100000211621 [0,0,1,0,0,0|3,0,0]=4 1739 B16R1.643 CCOCCCOCCCc1ccccc1 7a_100000210828_100012232248 [0,0,1,0,0,0|3,0,0]=4 1740 B16R1.643 CCOCCCOCCCc1ccccc1 7a_100000757476_100000211621 [0,0,1,0,0,0|3,0,0]=4 1741 B16R1.643 CCOCCCSCCCc1ccccc1 62a_100000211621_100012232248 [0,0,1,0,0,0|3,0,0]=4 1742 B16R1.643 CCOCCCSCCCc1ccccc1 62a_100012232248_100000211621 [0,0,1,0,0,0|3,0,0]=4 1743 B16R1.643 CCOCCNCCCCc1ccccc1 2230a_100015280158_100011215890 [0,0,1,0,0,0|3,0,0]=4 1744 B16R1.643 CCOCCNCCCCc1ccccc1 2230a_102516460346_100000701786 [0,0,1,0,0,0|3,0,0]=4 1745 B16R1.643 CCOCCNCCCCc1ccccc1 34a_100015280158_100000210147 [0,0,1,0,0,0|3,0,0]=4 1746 B16R1.643 CCOCCNCCCCc1ccccc1 34a_102516460346_100000701786 [0,0,1,0,0,0|3,0,0]=4 1747 B16R1.643 CCOCCOCCCCc1ccccc1 34a_100000210136_100000701786 [0,0,1,0,0,0|3,0,0]=4 1748 B16R1.643 CCOCCOCCCCc1ccccc1 34a_100000703073_100000210147 [0,0,1,0,0,0|3,0,0]=4 1749 B16R1.643 CCOCCOCCCCc1ccccc1 7a_100000210136_100000701786 [0,0,1,0,0,0|3,0,0]=4 1750 B16R1.643 CCOCCOCCCCc1ccccc1 7a_100000703073_100011215890 [0,0,1,0,0,0|3,0,0]=4 1751 B16R1.643 CCOCCSCCCCc1ccccc1 62a_100000210147_100000701786 [0,0,1,0,0,0|3,0,0]=4 1752 B16R1.643 CCOCCSCCCCc1ccccc1 62a_100000701786_100011215890 [0,0,1,0,0,0|3,0,0]=4 1753 B16R1.643 CCOCSCCCCCc1ccccc1 62a_100000739092_200011217138 [0,0,1,0,0,0|3,0,0]=4 1754 B16R1.643 CCOCSCCCCCc1ccccc1 62a_200011217138_100000739092 [0,0,1,0,0,0|3,0,0]=4 1755 B16R1.643 CCSCCCCCCCc1ccccc1 62a_100000210202_200009813472 [0,0,1,0,0,0|2,0,0]=3 1756 B16R1.643 CCSCCCCCCOc1ccccc1 62a_100000210202_200012047174 [0,0,1,0,0,0|3,0,0]=4 1757 B16R1.643 CCSCCCCCOCc1ccccc1 62a_100000210202_100012032903 [0,0,1,0,0,0|3,0,0]=4 1758 B16R1.643 CCSCCCCCOCc1ccccc1 62a_100012032903_100000210202 [0,0,1,0,0,0|3,0,0]=4 1759 B16R1.643 CCSCCCOCCCc1ccccc1 34a_100011216438_100000211621 [0,0,1,0,0,0|3,0,0]=4 1760 B16R1.643 CCSCCCOCCCc1ccccc1 7a_100011216438_100000211621 [0,0,1,0,0,0|3,0,0]=4 1761 B16R1.643 CCSCCNCCCCc1ccccc1 2230a_100000106463_100000701786 [0,0,1,0,0,0|3,0,0]=4 1762 B16R1.643 CCSCCNCCCCc1ccccc1 2230a_100015280158_100000757381 [0,0,1,0,0,0|3,0,0]=4 1763 B16R1.643 CCSCCNCCCCc1ccccc1 34a_100015280158_100000757381 [0,0,1,0,0,0|3,0,0]=4 1764 B16R1.643 CCSCCOCCCCc1ccccc1 34a_100000212035_100000701786 [0,0,1,0,0,0|3,0,0]=4 1765 B16R1.643 CCSCCOCCCCc1ccccc1 34a_100000703073_100000757381 [0,0,1,0,0,0|3,0,0]=4 1766 B16R1.643 CCSCCOCCCCc1ccccc1 7a_100000212035_100000701786 [0,0,1,0,0,0|3,0,0]=4 1767 B16R1.643 CCSCCOCCCCc1ccccc1 7a_100000703073_100000757381 [0,0,1,0,0,0|3,0,0]=4 1768 B16R1.643 CCSCCSCCCCc1ccccc1 62a_100000701786_100000757381 [0,0,1,0,0,0|3,0,0]=4 1769 B16R1.643 CCSCCSCCCCc1ccccc1 62a_100000757381_100000701786 [0,0,1,0,0,0|3,0,0]=4 1770 B16R1.643 CNCCCCCCCCc1ccccc1 2230a_106832991635_100009814296 [0,0,1,0,0,0|2,0,0]=3 1771 B16R1.643 CNCCCCCCCCc1ccccc1 34a_100102657272_100009814296 [0,0,1,0,0,0|2,0,0]=3 1772 B16R1.643 CNCCCCCCCCc1ccccc1 7a_106832991635_100009814296 [0,0,1,0,0,0|2,0,0]=3 1773 B16R1.643 CNCCCCCCOCc1ccccc1 2230a_106832991635_100012047231 [0,0,1,0,0,0|3,0,0]=4 1774 B16R1.643 CNCCCCCCOCc1ccccc1 34a_100102657272_100012047231 [0,0,1,0,0,0|3,0,0]=4 1775 B16R1.643 CNCCCCCCOCc1ccccc1 7a_106832991635_100012047231 [0,0,1,0,0,0|3,0,0]=4 1776 B16R1.643 CNCCCCCOCCc1ccccc1 34a_100000722520_100000765856 [0,0,1,0,0,0|2,0,0]=3 1777 B16R1.643 CNCCCOCCCCc1ccccc1 34a_100000213112_100000701786 [0,0,1,0,0,0|3,0,0]=4 1778 B16R1.643 CNCCOCCOCCc1ccccc1 34a_100000228057_100000765856 [0,0,1,0,0,0|3,0,0]=4 1779 B16R1.643 COCCCCCCCCc1ccccc1 34a_100000033958_200000210301 [0,0,1,0,0,0|2,0,0]=3 1780 B16R1.643 COCCCCCCCCc1ccccc1 34a_100138415774_100009814296 [0,0,1,0,0,0|2,0,0]=3 1781 B16R1.643 COCCCCCCCCc1ccccc1 7a_100000033958_200000210301 [0,0,1,0,0,0|2,0,0]=3 1782 B16R1.643 COCCCCCCNCc1ccccc1 2230a_100015324214_100011998445 [0,0,1,0,0,0|3,0,0]=4 1783 B16R1.643 COCCCCCCNCc1ccccc1 34a_100011934884_200000210301 [0,0,1,0,0,0|3,0,0]=4 1784 B16R1.643 COCCCCCCNCc1ccccc1 34a_100015324214_100011998445 [0,0,1,0,0,0|3,0,0]=4 1785 B16R1.643 COCCCCCCOCc1ccccc1 34a_100000210790_100011998445 [0,0,1,0,0,0|3,0,0]=4 1786 B16R1.643 COCCCCCCOCc1ccccc1 34a_100014105819_200000210301 [0,0,1,0,0,0|3,0,0]=4 1787 B16R1.643 COCCCCCCOCc1ccccc1 34a_100138415774_100012047231 [0,0,1,0,0,0|3,0,0]=4 1788 B16R1.643 COCCCCCCOCc1ccccc1 34a_200012092642_100015291786 [0,0,1,0,0,0|3,0,0]=4 1789 B16R1.643 COCCCCCCOCc1ccccc1 7a_100000210790_100011998445 [0,0,1,0,0,0|3,0,0]=4 1790 B16R1.643 COCCCCCCOCc1ccccc1 7a_100014105819_200000210301 [0,0,1,0,0,0|3,0,0]=4 1791 B16R1.643 COCCCCCCOCc1ccccc1 7a_200012092642_100000211182 [0,0,1,0,0,0|3,0,0]=4 1792 B16R1.643 COCCCCCCSCc1ccccc1 62a_100000211182_100011998445 [0,0,1,0,0,0|3,0,0]=4 1793 B16R1.643 COCCCCCCSCc1ccccc1 62a_100011998445_100015291786 [0,0,1,0,0,0|3,0,0]=4 1794 B16R1.643 COCCCCCNCCc1ccccc1 2230a_100000747528_100000765856 [0,0,1,0,0,0|1,0,0]=2 1795 B16R1.643 COCCCCCNCCc1ccccc1 34a_100000747528_100000765856 [0,0,1,0,0,0|1,0,0]=2 1796 B16R1.643 COCCCCCNCCc1ccccn1 2230a_100000747528_100015183660 [0,0,1,0,0,0|2,0,0]=3 1797 B16R1.643 COCCCCCNCCc1cccnc1 2230a_100000747528_200011713674 [0,0,1,0,0,0|2,0,0]=3 1798 B16R1.643 COCCCCCNCCc1ccncc1 2230a_100000747528_100000723409 [0,0,1,0,0,0|2,0,0]=3 1799 B16R1.643 COCCCCCNCSc1ccccc1 2230a_100000747528_100011218342 [0,0,1,0,0,0|2,0,0]=3 1800 B16R1.643 COCCCCNCCCc1ccccc1 2230a_100000211184_100000730899 [0,0,1,0,0,0|3,0,0]=4 1801 B16R1.643 COCCCCNCCCc1ccccc1 34a_100000211184_100000755781 [0,0,1,0,0,0|3,0,0]=4 1802 B16R1.643 COCCCCOCCCc1ccccc1 34a_100000210828_100000755781 [0,0,1,0,0,0|3,0,0]=4 1803 B16R1.643 COCCCCOCCCc1ccccc1 34a_100000740925_100000211621 [0,0,1,0,0,0|3,0,0]=4 1804 B16R1.643 COCCCCOCCCc1ccccc1 7a_100000210828_100000730899 [0,0,1,0,0,0|3,0,0]=4 1805 B16R1.643 COCCCCSCCCc1ccccc1 62a_100000211621_100000730899 [0,0,1,0,0,0|3,0,0]=4 1806 B16R1.643 COCCCCSCCCc1ccccc1 62a_100000730899_100000211621 [0,0,1,0,0,0|3,0,0]=4 1807 B16R1.643 COCCCNCCCCc1ccccc1 2230a_100015280158_100000740836 [0,0,1,0,0,0|3,0,0]=4 1808 B16R1.643 COCCCNCCCCc1ccccc1 34a_100015280158_100000740836 [0,0,1,0,0,0|3,0,0]=4 1809 B16R1.643 COCCCNCCCCc1ccccc1 34a_100150723488_100000701786 [0,0,1,0,0,0|3,0,0]=4 1810 B16R1.643 COCCCOCCCCc1ccccc1 34a_100000703073_100000740836 [0,0,1,0,0,0|3,0,0]=4 1811 B16R1.643 COCCCOCCCCc1ccccc1 34a_100000740835_100000701786 [0,0,1,0,0,0|3,0,0]=4 1812 B16R1.643 COCCCOCCCCc1ccccc1 7a_100000703073_100000740836 [0,0,1,0,0,0|3,0,0]=4 1813 B16R1.643 COCCCSCCCCc1ccccc1 62a_100000701786_100000709357 [0,0,1,0,0,0|3,0,0]=4 1814 B16R1.643 COCCCSCCCCc1ccccc1 62a_100000709357_100000701786 [0,0,1,0,0,0|3,0,0]=4 1815 B16R1.643 COCCNCCCCCc1ccccc1 2230a_100000209980_200011217138 [0,0,1,0,0,0|3,0,0]=4 1816 B16R1.643 COCCNCCCCCc1ccccc1 2230a_100000750932_100011201679 [0,0,1,0,0,0|3,0,0]=4 1817 B16R1.643 COCCNCCCCCc1ccccc1 34a_100000750932_100011201679 [0,0,1,0,0,0|3,0,0]=4 1818 B16R1.643 COCCOCCCCCc1ccccc1 34a_100000210237_200011217138 [0,0,1,0,0,0|3,0,0]=4 1819 B16R1.643 COCCOCCCCCc1ccccc1 34a_200011219639_100011201679 [0,0,1,0,0,0|3,0,0]=4 1820 B16R1.643 COCCOCCCCCc1ccccc1 7a_200011219639_100000233755 [0,0,1,0,0,0|3,0,0]=4 1821 B16R1.643 COCCOCCNCCc1ccccc1 2230a_100000106460_100000695917 [0,0,1,0,0,0|2,0,0]=3 1822 B16R1.643 COCCOCCNCCc1ccccc1 2230a_100000745349_100000765856 [0,0,1,0,0,0|2,0,0]=3 1823 B16R1.643 COCCOCCNCCc1ccccc1 34a_100000106460_100000695917 [0,0,1,0,0,0|2,0,0]=3 1824 B16R1.643 COCCOCCNCCc1ccccc1 34a_100000745349_100000765856 [0,0,1,0,0,0|2,0,0]=3 1825 B16R1.643 COCCOCCNCCc1ccccn1 2230a_100000745349_100015183660 [0,0,1,0,0,0|3,0,0]=4 1826 B16R1.643 COCCOCCNCCc1cccnc1 2230a_100000736294_100000695917 [0,0,1,0,0,0|3,0,0]=4 1827 B16R1.643 COCCOCCNCCc1cccnc1 2230a_100000745349_200011713674 [0,0,1,0,0,0|3,0,0]=4 1828 B16R1.643 COCCOCCNCCc1ccncc1 2230a_100000745349_100000723409 [0,0,1,0,0,0|3,0,0]=4 1829 B16R1.643 COCCOCCNCSc1ccccc1 2230a_100000745349_100011218342 [0,0,1,0,0,0|3,0,0]=4 1830 B16R1.643 COCCOCCOCCc1ccccc1 34a_100000210268_100000695917 [0,0,1,0,0,0|3,0,0]=4 1831 B16R1.643 COCCOCCOCCc1ccccc1 34a_100011215163_100000765856 [0,0,1,0,0,0|3,0,0]=4 1832 B16R1.643 COCCOCCOCCc1ccccc1 7a_100000210268_100000695917 [0,0,1,0,0,0|3,0,0]=4 1833 B16R1.643 COCCOCCOCCc1ccccc1 7a_100011215163_100000765856 [0,0,1,0,0,0|3,0,0]=4 1834 B16R1.643 COCCOCCSCCc1ccccc1 62a_100000695917_100011218657 [0,0,1,0,0,0|3,0,0]=4 1835 B16R1.643 COCCOCCSCCc1ccccc1 62a_100000765856_100000695917 [0,0,1,0,0,0|3,0,0]=4 1836 B16R1.643 COCCSCCCCCc1ccccc1 62a_100000233755_200011217138 [0,0,1,0,0,0|3,0,0]=4 1837 B16R1.643 COCCSCCCCCc1ccccc1 62a_200011217138_100000233755 [0,0,1,0,0,0|3,0,0]=4 1838 B16R1.643 COCSCCCCCCc1ccccc1 62a_100000766300_100011218729 [0,0,1,0,0,0|3,0,0]=4 1839 B16R1.643 COCSCCCCCCc1ccccc1 62a_100011218729_100000766300 [0,0,1,0,0,0|3,0,0]=4 1840 B16R1.643 CSCCCCCCCCc1ccccc1 62a_200000210301_100009814296 [0,0,1,0,0,0|2,0,0]=3 1841 B16R1.643 CSCCCCCCOCc1ccccc1 62a_100012047231_200000210301 [0,0,1,0,0,0|3,0,0]=4 1842 B16R1.643 CSCCCCCCOCc1ccccc1 62a_200000210301_100012047231 [0,0,1,0,0,0|3,0,0]=4 1843 B16R1.643 CSCCCCOCCCc1ccccc1 34a_100011217163_100000211621 [0,0,1,0,0,0|3,0,0]=4 1844 B16R1.643 CSCCCCOCCCc1ccccc1 7a_100011217163_100000211621 [0,0,1,0,0,0|3,0,0]=4 1845 B16R1.643 CSCCCNCCCCc1ccccc1 2230a_100000749238_100000701786 [0,0,1,0,0,0|3,0,0]=4 1846 B16R1.643 CSCCCOCCCCc1ccccc1 34a_100000690336_100000701786 [0,0,1,0,0,0|3,0,0]=4 1847 B16R1.643 CSCCCOCCCCc1ccccc1 7a_100000690336_100000701786 [0,0,1,0,0,0|3,0,0]=4 1848 B16R1.643 CSCCNCCCCCc1ccccc1 2230a_100000750932_100000751147 [0,0,1,0,0,0|3,0,0]=4 1849 B16R1.643 CSCCNCCCCCc1ccccc1 2230a_100020590264_200011217138 [0,0,1,0,0,0|3,0,0]=4 1850 B16R1.643 CSCCNCCCCCc1ccccc1 34a_100000750932_100000212216 [0,0,1,0,0,0|3,0,0]=4 1851 B16R1.643 CSCCOCCCCCc1ccccc1 34a_100000230434_200011217138 [0,0,1,0,0,0|3,0,0]=4 1852 B16R1.643 CSCCOCCCCCc1ccccc1 34a_200011219639_100000212216 [0,0,1,0,0,0|3,0,0]=4 1853 B16R1.643 CSCCOCCCCCc1ccccc1 7a_100000230434_200011217138 [0,0,1,0,0,0|3,0,0]=4 1854 B16R1.643 CSCCOCCCCCc1ccccc1 7a_200011219639_100000212216 [0,0,1,0,0,0|3,0,0]=4 1855 B16R1.643 CSCCSCCCCCc1ccccc1 62a_100000212216_200011217138 [0,0,1,0,0,0|3,0,0]=4 1856 B16R1.643 CSCCSCCCCCc1ccccc1 62a_200011217138_100000751147 [0,0,1,0,0,0|3,0,0]=4 1857 B16R1.643 CSCOCCCCCCc1ccccc1 34a_100011215581_100011218213 [0,0,1,0,0,0|3,0,0]=4 1858 B16R1.643 CSCSCCCCCCc1ccccc1 62a_100011218213_100011218729 [0,0,1,0,0,0|3,0,0]=4 1859 B16R1.643 CSCSCCCCCCc1ccccc1 62a_100011218729_100011218213 [0,0,1,0,0,0|3,0,0]=4 1860 B16R1.643 ClCCCCCCOCCc1ccccc1 34a_100000766143_100000765856 [0,0,1,0,0,0|2,0,0]=3 1861 B16R1.643 ClCCCCCCOCCc1ccccc1 7a_100000766143_100000765856 [0,0,1,0,0,0|2,0,0]=3 1862 B16R1.643 ClCCCCCCOCCc1ccccn1 7a_100000766143_100015183660 [0,0,1,0,0,0|3,0,0]=4 1863 B16R1.643 ClCCCCCCOCCc1cccnc1 7a_100000766143_200011713674 [0,0,1,0,0,0|3,0,0]=4 1864 B16R1.643 ClCCCCCCOCCc1ccncc1 7a_100000766143_100000723409 [0,0,1,0,0,0|3,0,0]=4 1865 B16R1.643 ClCCCCCOCCCc1ccccc1 34a_100000746330_100000211621 [0,0,1,0,0,0|3,0,0]=4 1866 B16R1.643 ClCCCCCOCCCc1ccccc1 7a_100000746330_100000211621 [0,0,1,0,0,0|3,0,0]=4 1867 B16R1.643 ClCCCCOCCCCc1ccccc1 34a_100000210776_100000701786 [0,0,1,0,0,0|3,0,0]=4 1868 B16R1.643 ClCCCCOCCCCc1ccccc1 7a_100000210776_100000701786 [0,0,1,0,0,0|3,0,0]=4 1869 B16R1.643 ClCCCOCCCCCc1ccccc1 34a_100000230001_200011217138 [0,0,1,0,0,0|3,0,0]=4 1870 B16R1.643 FCCCCCCNCCc1ccccc1 2230a_100000106460_100015922095 [0,0,1,0,0,0|1,0,0]=2 1871 B16R1.643 FCCCCCCNCCc1ccccc1 34a_100000106460_100015922095 [0,0,1,0,0,0|1,0,0]=2 1872 B16R1.643 FCCCCCCNCCc1cccnc1 2230a_100000736294_100015922095 [0,0,1,0,0,0|2,0,0]=3 1873 B16R1.643 FCCCCCCOCCc1ccccc1 34a_100000210268_100015922095 [0,0,1,0,0,0|2,0,0]=3 1874 B16R1.643 FCCCCCCOCCc1ccccc1 34a_100000732779_100000765856 [0,0,1,0,0,0|2,0,0]=3 1875 B16R1.643 FCCCCCCOCCc1ccccc1 7a_100000210268_100015922095 [0,0,1,0,0,0|2,0,0]=3 1876 B16R1.643 FCCCCCCOCCc1ccccc1 7a_100000732779_100000765856 [0,0,1,0,0,0|2,0,0]=3 1877 B16R1.643 FCCCCCCOCCc1ccccn1 34a_100000210271_100015922095 [0,0,1,0,0,0|3,0,0]=4 1878 B16R1.643 FCCCCCCOCCc1ccccn1 7a_100000732779_100015183660 [0,0,1,0,0,0|3,0,0]=4 1879 B16R1.643 FCCCCCCOCCc1cccnc1 34a_100011217484_100015922095 [0,0,1,0,0,0|3,0,0]=4 1880 B16R1.643 FCCCCCCOCCc1cccnc1 7a_100000732779_200011713674 [0,0,1,0,0,0|3,0,0]=4 1881 B16R1.643 FCCCCCCOCCc1ccncc1 34a_100011216225_100015922095 [0,0,1,0,0,0|3,0,0]=4 1882 B16R1.643 FCCCCCCOCCc1ccncc1 7a_100000732779_100000723409 [0,0,1,0,0,0|3,0,0]=4 1883 B16R1.643 FCCCCCCSCCc1ccccc1 62a_100000765856_100015922095 [0,0,1,0,0,0|2,0,0]=3 1884 B16R1.643 FCCCCCCSCCc1ccccc1 62a_100015922095_100011218657 [0,0,1,0,0,0|2,0,0]=3 1885 B16R1.643 FCCCCCCSCCc1ccccn1 62a_100015183660_100015922095 [0,0,1,0,0,0|3,0,0]=4 1886 B16R1.643 FCCCCCCSCCc1ccccn1 62a_100015922095_100015183660 [0,0,1,0,0,0|3,0,0]=4 1887 B16R1.643 FCCCCCCSCCc1cccnc1 62a_100015922095_200011713674 [0,0,1,0,0,0|3,0,0]=4 1888 B16R1.643 FCCCCCCSCCc1cccnc1 62a_200011713674_100015922095 [0,0,1,0,0,0|3,0,0]=4 1889 B16R1.643 FCCCCCCSCCc1ccncc1 62a_100000723409_100015922095 [0,0,1,0,0,0|3,0,0]=4 1890 B16R1.643 FCCCCCCSCCc1ccncc1 62a_100015922095_100000723409 [0,0,1,0,0,0|3,0,0]=4 1891 B16R1.643 FCCCCCCSCSc1ccccc1 62a_100011218342_100015922095 [0,0,1,0,0,0|3,0,0]=4 1892 B16R1.643 FCCCCCCSCSc1ccccc1 62a_100015922095_100011218342 [0,0,1,0,0,0|3,0,0]=4 1893 B16R1.643 FCCCCCNCCCc1ccccc1 2230a_100000211184_100000729378 [0,0,1,0,0,0|3,0,0]=4 1894 B16R1.643 FCCCCCNCCCc1ccccc1 34a_100000211184_100000729378 [0,0,1,0,0,0|3,0,0]=4 1895 B16R1.643 FCCCCCOCCCc1ccccc1 34a_100000210828_100000729378 [0,0,1,0,0,0|3,0,0]=4 1896 B16R1.643 FCCCCCOCCCc1ccccc1 7a_100000210828_100000729378 [0,0,1,0,0,0|3,0,0]=4 1897 B16R1.643 FCCCCCSCCCc1ccccc1 62a_100000211621_100000729378 [0,0,1,0,0,0|3,0,0]=4 1898 B16R1.643 FCCCCCSCCCc1ccccc1 62a_100000729378_100000211621 [0,0,1,0,0,0|3,0,0]=4 1899 B16R1.643 FCCCCNCCCCc1ccccc1 2230a_100015280158_100000729493 [0,0,1,0,0,0|3,0,0]=4 1900 B16R1.643 FCCCCNCCCCc1ccccc1 34a_100015280158_100000729493 [0,0,1,0,0,0|3,0,0]=4 1901 B16R1.643 FCCCCOCCCCc1ccccc1 34a_100000703073_100000729493 [0,0,1,0,0,0|3,0,0]=4 1902 B16R1.643 FCCCCOCCCCc1ccccc1 34a_100011995726_100000701786 [0,0,1,0,0,0|3,0,0]=4 1903 B16R1.643 FCCCCOCCCCc1ccccc1 7a_100000703073_100000729493 [0,0,1,0,0,0|3,0,0]=4 1904 B16R1.643 FCCCCOCCCCc1ccccc1 7a_100011995726_100000701786 [0,0,1,0,0,0|3,0,0]=4 1905 B16R1.643 FCCCCSCCCCc1ccccc1 62a_100000701786_100000729493 [0,0,1,0,0,0|3,0,0]=4 1906 B16R1.643 FCCCCSCCCCc1ccccc1 62a_100000729493_100000701786 [0,0,1,0,0,0|3,0,0]=4 1907 B16R1.643 FCCCNCCCCCc1ccccc1 2230a_100000750932_100011934791 [0,0,1,0,0,0|3,0,0]=4 1908 B16R1.643 FCCCNCCCCCc1ccccc1 2230a_100015189416_200011217138 [0,0,1,0,0,0|3,0,0]=4 1909 B16R1.643 FCCCNCCCCCc1ccccc1 34a_100000750932_100011934791 [0,0,1,0,0,0|3,0,0]=4 1910 B16R1.643 FCCCNCCCCCc1ccccc1 34a_100015189416_200011217138 [0,0,1,0,0,0|3,0,0]=4 1911 B16R1.643 FCCCOCCCCCc1ccccc1 34a_100000759539_200011217138 [0,0,1,0,0,0|3,0,0]=4 1912 B16R1.643 FCCCOCCCCCc1ccccc1 34a_200011219639_100011934791 [0,0,1,0,0,0|3,0,0]=4 1913 B16R1.643 FCCCOCCCCCc1ccccc1 7a_200011219639_100011934791 [0,0,1,0,0,0|3,0,0]=4 1914 B16R1.643 FCCCSCCCCCc1ccccc1 62a_100011934791_200011217138 [0,0,1,0,0,0|3,0,0]=4 1915 B16R1.643 FCCCSCCCCCc1ccccc1 62a_200011217138_100011934791 [0,0,1,0,0,0|3,0,0]=4 1916 B16R1.643 FCCNCCCCCCc1ccccc1 34a_100000724931_100011218729 [0,0,1,0,0,0|3,0,0]=4 1917 B16R1.643 FCCOCCCCCCc1ccccc1 34a_100011215581_100011217306 [0,0,1,0,0,0|3,0,0]=4 1918 B16R1.643 FCCOCCCCCCc1ccccc1 7a_100011215581_100011217306 [0,0,1,0,0,0|3,0,0]=4 1919 B16R1.643 FCCSCCCCCCc1ccccc1 62a_100011217306_100011218729 [0,0,1,0,0,0|3,0,0]=4 1920 B16R1.643 FCCSCCCCCCc1ccccc1 62a_100011218729_100011217306 [0,0,1,0,0,0|3,0,0]=4 1921 B16R1.643 FCOCCCCCCCc1ccccc1 34a_100000042756_100015361967 [0,0,1,0,0,0|3,0,0]=4 1922 B16R1.643 FCOCCCCCCCc1ccccc1 7a_100000042756_100015361967 [0,0,1,0,0,0|3,0,0]=4 1923 B16R1.643 FCSCCCCCCCc1ccccc1 62a_100015361967_200009813472 [0,0,1,0,0,0|3,0,0]=4 1924 B16R1.643 ICCCCCOCCCc1ccccc1 34a_200012148887_100000211621 [0,0,1,0,0,0|3,0,0]=4 1925 B16R1.643 ICCCCCOCCCc1ccccc1 7a_200012148887_100000211621 [0,0,1,0,0,0|3,0,0]=4 1926 B16R1.643 ICCCCOCCCCc1ccccc1 34a_200012148704_100000701786 [0,0,1,0,0,0|3,0,0]=4 1927 B16R1.643 N#CCCCCCNCCc1ccccc1 2230a_100000106460_100009813376 [0,0,1,0,0,0|1,0,1]=3 1928 B16R1.643 N#CCCCCCNCCc1cccnc1 2230a_100000736294_100009813376 [0,0,1,0,0,0|2,0,1]=4 1929 B16R1.643 N#CCCCCCOCCc1ccccc1 7a_100000210268_100009813376 [0,0,1,0,0,0|2,0,1]=4 1930 B16R1.643 N#CCCCCCSCCc1ccccc1 62a_100000765856_100009813376 [0,0,1,0,0,0|2,0,1]=4 1931 B16R1.643 N#CCCCCCSCCc1ccccc1 62a_100009813376_100011218657 [0,0,1,0,0,0|2,0,1]=4 1932 B16R1.643 NCCCCCCCOCc1ccccc1 34a_100011996573_100015291786 [0,0,1,0,0,0|3,0,0]=4 1933 B16R1.643 NCCCCCCOCCc1ccccc1 34a_100000686447_100000765856 [0,0,1,0,0,0|2,0,0]=3 1934 B16R1.643 NCCCCCOCCCc1ccccc1 34a_100000762737_100000211621 [0,0,1,0,0,0|3,0,0]=4 1935 B16R1.643 NCCCCOCCCCc1ccccc1 34a_100000750430_100000701786 [0,0,1,0,0,0|3,0,0]=4 1936 B16R1.643 NCCCOCCCCCc1ccccc1 34a_100000182051_200011217138 [0,0,1,0,0,0|3,0,0]=4 1937 B16R1.643 NCCOCCCCCCc1ccccc1 34a_100000210304_100011218729 [0,0,1,0,0,0|3,0,0]=4 1938 B16R1.643 O=CCCCCCNCCc1ccccc1 2230a_100000106460_100000139337 [0,0,1,0,0,0|1,0,1]=3 1939 B16R1.643 O=CCCCCCNCCc1cccnc1 2230a_100000736294_100000139337 [0,0,1,0,0,0|2,0,1]=4 1940 B16R1.643 O=CCCCCCOCCc1ccccc1 7a_100000210268_100000139337 [0,0,1,0,0,0|2,0,1]=4 1941 B16R1.643 O=CCCCCCSCCc1ccccc1 62a_100000139337_100011218657 [0,0,1,0,0,0|2,0,1]=4 1942 B16R1.643 O=CCCCCCSCCc1ccccc1 62a_100000765856_100000139337 [0,0,1,0,0,0|2,0,1]=4 1943 B16R1.643 OCCCCC=NNCCc1ccccc1 4a_100000740470_100000031955 [0,0,1,0,0,0|2,0,1]=4 1944 B16R1.643 OCCCCCCCCNc1ccccc1 34a_100000106764_100000033203 [0,0,1,0,0,0|3,0,0]=4 1945 B16R1.643 OCCCCCCCCOc1ccccc1 34a_100000210340_100000033203 [0,0,1,0,0,0|3,0,0]=4 1946 B16R1.643 OCCCCCCCCOc1ccccc1 7a_100000210340_100000033203 [0,0,1,0,0,0|3,0,0]=4 1947 B16R1.643 OCCCCCCCCSc1ccccc1 62a_100000033203_100000041952 [0,0,1,0,0,0|3,0,0]=4 1948 B16R1.643 OCCCCCCCCSc1ccccc1 62a_100000719477_100000033203 [0,0,1,0,0,0|3,0,0]=4 1949 B16R1.643 OCCCCCCCNCc1ccccc1 207a_100011996573_100015611070 [0,0,1,0,0,0|3,0,0]=4 1950 B16R1.643 OCCCCCCCNCc1ccccc1 2230a_100011996573_100015291786 [0,0,1,0,0,0|3,0,0]=4 1951 B16R1.643 OCCCCCCCNCc1ccccc1 2230a_100015324214_100000760002 [0,0,1,0,0,0|3,0,0]=4 1952 B16R1.643 OCCCCCCCNCc1ccccc1 270004a_100011996573_100015611070 [0,0,1,0,0,0|3,0,0]=4 1953 B16R1.643 OCCCCCCCNCc1ccccc1 34a_100011996573_100015291786 [0,0,1,0,0,0|3,0,0]=4 1954 B16R1.643 OCCCCCCCNCc1ccccc1 34a_100015324214_100000760002 [0,0,1,0,0,0|3,0,0]=4 1955 B16R1.643 OCCCCCCCOCc1ccccc1 34a_100000210790_100000760002 [0,0,1,0,0,0|3,0,0]=4 1956 B16R1.643 OCCCCCCCOCc1ccccc1 7a_100000210790_100000760002 [0,0,1,0,0,0|3,0,0]=4 1957 B16R1.643 OCCCCCCCSCc1ccccc1 62a_100000211182_100000760002 [0,0,1,0,0,0|3,0,0]=4 1958 B16R1.643 OCCCCCCCSCc1ccccc1 62a_100000760002_100015291786 [0,0,1,0,0,0|3,0,0]=4 1959 B16R1.643 OCCCCCCNCCc1ccccc1 2230a_100000106460_100000766143 [0,0,1,0,0,0|1,0,0]=2 1960 B16R1.643 OCCCCCCNCCc1ccccc1 2230a_100000686447_100000765856 [0,0,1,0,0,0|1,0,0]=2 1961 B16R1.643 OCCCCCCNCCc1ccccc1 34a_100000106460_100000766143 [0,0,1,0,0,0|1,0,0]=2 1962 B16R1.643 OCCCCCCNCCc1ccccc1 34a_100000686447_100000765856 [0,0,1,0,0,0|1,0,0]=2 1963 B16R1.643 OCCCCCCNCCc1ccccn1 2230a_100000686447_100015183660 [0,0,1,0,0,0|2,0,0]=3 1964 B16R1.643 OCCCCCCNCCc1cccnc1 2230a_100000686447_200011713674 [0,0,1,0,0,0|2,0,0]=3 1965 B16R1.643 OCCCCCCNCCc1cccnc1 2230a_100000736294_100000766143 [0,0,1,0,0,0|2,0,0]=3 1966 B16R1.643 OCCCCCCNCCc1ccncc1 2230a_100000686447_100000723409 [0,0,1,0,0,0|2,0,0]=3 1967 B16R1.643 OCCCCCCNCSc1ccccc1 2230a_100000686447_100011218342 [0,0,1,0,0,0|2,0,0]=3 1968 B16R1.643 OCCCCCCOCCc1ccccc1 34a_100000210268_100000766143 [0,0,1,0,0,0|2,0,0]=3 1969 B16R1.643 OCCCCCCOCCc1ccccc1 7a_100000210268_100000766143 [0,0,1,0,0,0|2,0,0]=3 1970 B16R1.643 OCCCCCCOCCc1ccccn1 34a_100000210271_100000766143 [0,0,1,0,0,0|3,0,0]=4 1971 B16R1.643 OCCCCCCOCCc1cccnc1 34a_100011217484_100000766143 [0,0,1,0,0,0|3,0,0]=4 1972 B16R1.643 OCCCCCCOCCc1ccncc1 34a_100011216225_100000766143 [0,0,1,0,0,0|3,0,0]=4 1973 B16R1.643 OCCCCCCSCCc1ccccc1 62a_100000765856_100000766143 [0,0,1,0,0,0|2,0,0]=3 1974 B16R1.643 OCCCCCCSCCc1ccccc1 62a_100000766143_100011218657 [0,0,1,0,0,0|2,0,0]=3 1975 B16R1.643 OCCCCCCSCCc1ccccn1 62a_100000766143_100015183660 [0,0,1,0,0,0|3,0,0]=4 1976 B16R1.643 OCCCCCCSCCc1ccccn1 62a_100015183660_100000766143 [0,0,1,0,0,0|3,0,0]=4 1977 B16R1.643 OCCCCCCSCCc1cccnc1 62a_100000766143_200011713674 [0,0,1,0,0,0|3,0,0]=4 1978 B16R1.643 OCCCCCCSCCc1cccnc1 62a_200011713674_100000766143 [0,0,1,0,0,0|3,0,0]=4 1979 B16R1.643 OCCCCCCSCCc1ccncc1 62a_100000723409_100000766143 [0,0,1,0,0,0|3,0,0]=4 1980 B16R1.643 OCCCCCCSCCc1ccncc1 62a_100000766143_100000723409 [0,0,1,0,0,0|3,0,0]=4 1981 B16R1.643 OCCCCCCSCSc1ccccc1 62a_100000766143_100011218342 [0,0,1,0,0,0|3,0,0]=4 1982 B16R1.643 OCCCCCCSCSc1ccccc1 62a_100011218342_100000766143 [0,0,1,0,0,0|3,0,0]=4 1983 B16R1.643 OCCCCCNCCCc1ccccc1 2230a_100000211184_100000746330 [0,0,1,0,0,0|3,0,0]=4 1984 B16R1.643 OCCCCCNCCCc1ccccc1 2230a_100000762737_100000211621 [0,0,1,0,0,0|3,0,0]=4 1985 B16R1.643 OCCCCCNCCCc1ccccc1 34a_100000211184_100000746330 [0,0,1,0,0,0|3,0,0]=4 1986 B16R1.643 OCCCCCNCCCc1ccccc1 34a_100000762737_100000211621 [0,0,1,0,0,0|3,0,0]=4 1987 B16R1.643 OCCCCCOCCCc1ccccc1 34a_100000210828_100000746330 [0,0,1,0,0,0|3,0,0]=4 1988 B16R1.643 OCCCCCOCCCc1ccccc1 7a_100000210828_100000746330 [0,0,1,0,0,0|3,0,0]=4 1989 B16R1.643 OCCCCCSCCCc1ccccc1 62a_100000211621_100000746330 [0,0,1,0,0,0|3,0,0]=4 1990 B16R1.643 OCCCCCSCCCc1ccccc1 62a_100000746330_100000211621 [0,0,1,0,0,0|3,0,0]=4 1991 B16R1.643 OCCCCNCCCCc1ccccc1 2230a_100000750430_100000701786 [0,0,1,0,0,0|3,0,0]=4 1992 B16R1.643 OCCCCNCCCCc1ccccc1 2230a_100015280158_100000210776 [0,0,1,0,0,0|3,0,0]=4 1993 B16R1.643 OCCCCNCCCCc1ccccc1 34a_100000750430_100000701786 [0,0,1,0,0,0|3,0,0]=4 1994 B16R1.643 OCCCCNCCCCc1ccccc1 34a_100015280158_100011216708 [0,0,1,0,0,0|3,0,0]=4 1995 B16R1.643 OCCCCOCCCCc1ccccc1 34a_100000703073_100011216708 [0,0,1,0,0,0|3,0,0]=4 1996 B16R1.643 OCCCCOCCCCc1ccccc1 7a_100000703073_100000210776 [0,0,1,0,0,0|3,0,0]=4 1997 B16R1.643 OCCCCSCCCCc1ccccc1 62a_100000210776_100000701786 [0,0,1,0,0,0|3,0,0]=4 1998 B16R1.643 OCCCCSCCCCc1ccccc1 62a_100000701786_100000210776 [0,0,1,0,0,0|3,0,0]=4 1999 B16R1.643 OCCCNCCCCCc1ccccc1 2230a_100000750932_100000230001 [0,0,1,0,0,0|3,0,0]=4 2000 B16R1.643 OCCCNCCCCCc1ccccc1 34a_100000750932_100000230001 [0,0,1,0,0,0|3,0,0]=4 2001 B16R1.643 OCCCOCCCCCc1ccccc1 34a_200011219639_100000230001 [0,0,1,0,0,0|3,0,0]=4 2002 B16R1.643 OCCCOCCCCCc1ccccc1 7a_200011219639_100011215043 [0,0,1,0,0,0|3,0,0]=4 2003 B16R1.643 OCCCSCCCCCc1ccccc1 62a_100011215043_200011217138 [0,0,1,0,0,0|3,0,0]=4 2004 B16R1.643 OCCCSCCCCCc1ccccc1 62a_200011217138_100011215043 [0,0,1,0,0,0|3,0,0]=4 2005 B16R1.643 OCCNCCCCCCc1ccccc1 2230a_100016997473_100011218729 [0,0,1,0,0,0|3,0,0]=4 2006 B16R1.643 OCCNCCCCCCc1ccccc1 34a_100016990907_100011218729 [0,0,1,0,0,0|3,0,0]=4 2007 B16R1.643 OCCOCCCCCCc1ccccc1 34a_100011215581_100000211926 [0,0,1,0,0,0|3,0,0]=4 2008 B16R1.643 OCCOCCCCCCc1ccccc1 7a_100011215581_100000211926 [0,0,1,0,0,0|3,0,0]=4 2009 B16R1.643 OCCSCCCCCCc1ccccc1 62a_100000211926_100011218729 [0,0,1,0,0,0|3,0,0]=4 2010 B16R1.643 OCCSCCCCCCc1ccccc1 62a_100011218729_100000211926 [0,0,1,0,0,0|3,0,0]=4 2011 B16R1.643 [13CH3]OCCCCCCCCc1ccccc1 34a_100000033958_200025704644 [0,0,1,0,0,0|2,0,0]=3 2012 B16R1.643 [13CH3]OCCCCCCCCc1ccccc1 7a_100000033958_200025704644 [0,0,1,0,0,0|2,0,0]=3 2013 B16R1.643 [13CH3]OCCCCCCNCc1ccccc1 34a_100011934884_200025704644 [0,0,1,0,0,0|3,0,0]=4 2014 B16R1.643 [13CH3]OCCCCCCOCc1ccccc1 34a_100014105819_200025704644 [0,0,1,0,0,0|3,0,0]=4 2015 B16R1.643 [13CH3]OCCCCCCOCc1ccccc1 7a_100014105819_200025704644 [0,0,1,0,0,0|3,0,0]=4 2016 B16R1.643 [13CH3]SCCCCCCCCc1ccccc1 62a_200025704644_100009814296 [0,0,1,0,0,0|2,0,0]=3 2017 B16R1.643 [13CH3]SCCCCCCOCc1ccccc1 62a_100012047231_200025704644 [0,0,1,0,0,0|3,0,0]=4 2018 B16R1.643 [13CH3]SCCCCCCOCc1ccccc1 62a_200025704644_100012047231 [0,0,1,0,0,0|3,0,0]=4 2019 B16R1.643 [N-]=[N+]=NCCCCNCCc1ccccc1 2230a_100000101370_100000765856 [0,0,1,0,0,0|3,0,0]=4 2020 B16R1.1694 CC(CCCC#N)NCCc1ccccc1 270004a_100000106460_200000032708 [0,0,1,0,0,0|1,0,1]=3 2021 B16R1.1694 CC(CCCC#N)NCCc1ccccn1 270004a_100000211156_200000032708 [0,0,1,0,0,0|2,0,1]=4 2022 B16R1.1694 CC(CCCC#N)NCCc1cccnc1 270004a_100000736294_200000032708 [0,0,1,0,0,0|2,0,1]=4 2023 B16R1.1694 CC(CCCC#N)NCCc1ccncc1 270004a_100000742849_200000032708 [0,0,1,0,0,0|2,0,1]=4 2024 B16R1.1694 CC(CCCc1ccccc1)NCCCF 2230a_100015189416_200010759516 [0,0,1,0,0,0|3,0,0]=4 2025 B16R1.1694 CC(CCCc1ccccc1)NCCCF 34a_100015189416_200010759516 [0,0,1,0,0,0|3,0,0]=4 2026 B16R1.1694 CC(CCCc1ccccc1)OCCCBr 34a_100011217188_200010759516 [0,0,1,0,0,0|3,0,0]=4 2027 B16R1.1694 CC(CCCc1ccccc1)OCCCCl 34a_100000230001_200010759516 [0,0,1,0,0,0|3,0,0]=4 2028 B16R1.1694 CC(CCCc1ccccc1)OCCCF 34a_100000759539_200010759516 [0,0,1,0,0,0|3,0,0]=4 2029 B16R1.1694 CC(CCCc1ccccc1)OCCCN 34a_100000182051_200010759516 [0,0,1,0,0,0|3,0,0]=4 2030 B16R1.1694 CC(CCCc1ccccc1)SCCCF 62a_100011934791_200010759516 [0,0,1,0,0,0|3,0,0]=4 2031 B16R1.1694 CC(CCCc1ccccc1)SCCCF 62a_200010759516_100011934791 [0,0,1,0,0,0|3,0,0]=4 2032 B16R1.1694 CC(CCCc1ccccc1)SCCCO 62a_100011215043_200010759516 [0,0,1,0,0,0|3,0,0]=4 2033 B16R1.1694 CC(CCCc1ccccc1)SCCCO 62a_200010759516_100011215043 [0,0,1,0,0,0|3,0,0]=4 2034 B16R1.1694 CCC#CCC(C)OCCc1ccccc1 34a_200000035118_100000765856 [0,0,1,0,0,0|1,0,2]=4 2035 B16R1.1694 CCC#CCC(C)OCCc1ccccc1 7a_200000035118_100000765856 [0,0,1,0,0,0|1,0,2]=4 2036 B16R1.1694 CCCCCC(=NNCc1ccccc1)C 4a_100000007032_100000211708 [0,0,1,0,0,0|1,0,2]=4 2037 B16R1.1694 CCCCCC(=O)CCCc1ccccc1 1458a_100000212188_100000211621 [0,0,1,0,0,0|2,0,1]=4 2038 B16R1.1694 CCCCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210326 [0,0,1,0,0,0|2,0,1]=4 2039 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 11a_100000106460_100000212188 [0,0,1,0,0,0|1,0,1]=3 2040 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 1626a_100000106460_100000212188 [0,0,1,0,0,0|1,0,1]=3 2041 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 240690a_100000106460_100000212188 [0,0,1,0,0,0|1,0,1]=3 2042 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 527a_100000106460_100000212188 [0,0,1,0,0,0|1,0,1]=3 2043 B16R1.1694 CCCCCC(=O)NCCc1ccccn1 11a_100000211156_100000212188 [0,0,1,0,0,0|2,0,1]=4 2044 B16R1.1694 CCCCCC(=O)NCCc1ccccn1 1626a_100000211156_100000212188 [0,0,1,0,0,0|2,0,1]=4 2045 B16R1.1694 CCCCCC(=O)NCCc1ccccn1 240690a_100000211156_100000212188 [0,0,1,0,0,0|2,0,1]=4 2046 B16R1.1694 CCCCCC(=O)NCCc1ccccn1 527a_100000211156_100000212188 [0,0,1,0,0,0|2,0,1]=4 2047 B16R1.1694 CCCCCC(=O)NCCc1cccnc1 11a_100000736294_100000212188 [0,0,1,0,0,0|2,0,1]=4 2048 B16R1.1694 CCCCCC(=O)NCCc1cccnc1 1626a_100000736294_100000212188 [0,0,1,0,0,0|2,0,1]=4 2049 B16R1.1694 CCCCCC(=O)NCCc1cccnc1 240690a_100000736294_100000212188 [0,0,1,0,0,0|2,0,1]=4 2050 B16R1.1694 CCCCCC(=O)NCCc1cccnc1 527a_100000736294_100000212188 [0,0,1,0,0,0|2,0,1]=4 2051 B16R1.1694 CCCCCC(=O)NCCc1ccncc1 11a_100000742849_100000212188 [0,0,1,0,0,0|2,0,1]=4 2052 B16R1.1694 CCCCCC(=O)NCCc1ccncc1 1626a_100000742849_100000212188 [0,0,1,0,0,0|2,0,1]=4 2053 B16R1.1694 CCCCCC(=O)NCCc1ccncc1 240690a_100000742849_100000212188 [0,0,1,0,0,0|2,0,1]=4 2054 B16R1.1694 CCCCCC(=O)NCCc1ccncc1 527a_100000742849_100000212188 [0,0,1,0,0,0|2,0,1]=4 2055 B16R1.1694 CCCCCC(=O)NNCc1ccccc1 22a_100000007032_100000212188 [0,0,1,0,0,0|2,0,1]=4 2056 B16R1.1694 CCCCCC(C)NCCc1ccccc1 2230a_100000106460_200011218191 [0,0,1,0,0,0|0,0,0]=1 2057 B16R1.1694 CCCCCC(C)NCCc1ccccc1 2230a_100000211957_100000765856 [0,0,1,0,0,0|0,0,0]=1 2058 B16R1.1694 CCCCCC(C)NCCc1ccccc1 270004a_100000106460_100000211708 [0,0,1,0,0,0|0,0,0]=1 2059 B16R1.1694 CCCCCC(C)NCCc1ccccc1 34a_100000106460_200011218191 [0,0,1,0,0,0|0,0,0]=1 2060 B16R1.1694 CCCCCC(C)NCCc1ccccn1 2230a_100000211957_100015183660 [0,0,1,0,0,0|1,0,0]=2 2061 B16R1.1694 CCCCCC(C)NCCc1ccccn1 270004a_100000211156_100000211708 [0,0,1,0,0,0|1,0,0]=2 2062 B16R1.1694 CCCCCC(C)NCCc1cccnc1 2230a_100000211957_200011713674 [0,0,1,0,0,0|1,0,0]=2 2063 B16R1.1694 CCCCCC(C)NCCc1cccnc1 2230a_100000736294_200011218191 [0,0,1,0,0,0|1,0,0]=2 2064 B16R1.1694 CCCCCC(C)NCCc1cccnc1 270004a_100000736294_100000211708 [0,0,1,0,0,0|1,0,0]=2 2065 B16R1.1694 CCCCCC(C)NCCc1ccncc1 2230a_100000211957_100000723409 [0,0,1,0,0,0|1,0,0]=2 2066 B16R1.1694 CCCCCC(C)NCCc1ccncc1 270004a_100000742849_100000211708 [0,0,1,0,0,0|1,0,0]=2 2067 B16R1.1694 CCCCCC(C)NCCc1cnccn1 270004a_100000723456_100000211708 [0,0,1,0,0,0|2,0,0]=3 2068 B16R1.1694 CCCCCC(C)NCSc1ccccc1 2230a_100000211957_100011218342 [0,0,1,0,0,0|1,0,0]=2 2069 B16R1.1694 CCCCCC(C)OCCc1ccccc1 34a_100000210268_200011218191 [0,0,1,0,0,0|1,0,0]=2 2070 B16R1.1694 CCCCCC(C)OCCc1ccccc1 34a_100011215632_100000765856 [0,0,1,0,0,0|1,0,0]=2 2071 B16R1.1694 CCCCCC(C)OCCc1ccccc1 7a_100000210268_200011218191 [0,0,1,0,0,0|1,0,0]=2 2072 B16R1.1694 CCCCCC(C)OCCc1ccccc1 7a_100011215632_100000765856 [0,0,1,0,0,0|1,0,0]=2 2073 B16R1.1694 CCCCCC(C)OCCc1ccccn1 34a_100000210271_200011218191 [0,0,1,0,0,0|2,0,0]=3 2074 B16R1.1694 CCCCCC(C)OCCc1ccccn1 7a_100011215632_100015183660 [0,0,1,0,0,0|2,0,0]=3 2075 B16R1.1694 CCCCCC(C)OCCc1cccnc1 34a_100011217484_200011218191 [0,0,1,0,0,0|2,0,0]=3 2076 B16R1.1694 CCCCCC(C)OCCc1cccnc1 7a_100011215632_200011713674 [0,0,1,0,0,0|2,0,0]=3 2077 B16R1.1694 CCCCCC(C)OCCc1ccncc1 34a_100011216225_200011218191 [0,0,1,0,0,0|2,0,0]=3 2078 B16R1.1694 CCCCCC(C)OCCc1ccncc1 7a_100011215632_100000723409 [0,0,1,0,0,0|2,0,0]=3 2079 B16R1.1694 CCCCCC(C)OCCc1cnccn1 34a_100011349526_200011218191 [0,0,1,0,0,0|3,0,0]=4 2080 B16R1.1694 CCCCCC(C)OCCc1cncnc1 34a_100011709255_200011218191 [0,0,1,0,0,0|3,0,0]=4 2081 B16R1.1694 CCCCCC(C)SCCc1ccccc1 62a_100000765856_200011218191 [0,0,1,0,0,0|1,0,0]=2 2082 B16R1.1694 CCCCCC(C)SCCc1ccccc1 62a_200011218191_100011218657 [0,0,1,0,0,0|1,0,0]=2 2083 B16R1.1694 CCCCCC(C)SCCc1ccccn1 62a_100015183660_200011218191 [0,0,1,0,0,0|2,0,0]=3 2084 B16R1.1694 CCCCCC(C)SCCc1ccccn1 62a_200011218191_100015183660 [0,0,1,0,0,0|2,0,0]=3 2085 B16R1.1694 CCCCCC(C)SCCc1cccnc1 62a_200011218191_200011713674 [0,0,1,0,0,0|2,0,0]=3 2086 B16R1.1694 CCCCCC(C)SCCc1cccnc1 62a_200011713674_200011218191 [0,0,1,0,0,0|2,0,0]=3 2087 B16R1.1694 CCCCCC(C)SCCc1ccncc1 62a_100000723409_200011218191 [0,0,1,0,0,0|2,0,0]=3 2088 B16R1.1694 CCCCCC(C)SCCc1ccncc1 62a_200011218191_100000723409 [0,0,1,0,0,0|2,0,0]=3 2089 B16R1.1694 CCCCCC(C)SCSc1ccccc1 62a_100011218342_200011218191 [0,0,1,0,0,0|2,0,0]=3 2090 B16R1.1694 CCCCCC(C)SCSc1ccccc1 62a_200011218191_100011218342 [0,0,1,0,0,0|2,0,0]=3 2091 B16R1.1694 CCCCCN(C)CCCc1ccccc1 2230a_100000223495_100000211621 [0,0,1,0,0,0|2,0,0]=3 2092 B16R1.1694 CCCCCN(C)CCCc1ccccc1 2230a_100000693637_100000210326 [0,0,1,0,0,0|2,0,0]=3 2093 B16R1.1694 CCCCCN(C)CCCc1ccccc1 269982a_100000223495_100000211621 [0,0,1,0,0,0|2,0,0]=3 2094 B16R1.1694 CCCCCN(C)CCCc1ccccc1 269982a_100000693637_100000210215 [0,0,1,0,0,0|2,0,0]=3 2095 B16R1.1694 CCCCCN(C)CCOc1ccccc1 2230a_100000184383_100000210326 [0,0,1,0,0,0|3,0,0]=4 2096 B16R1.1694 CCCCCN(C)CCOc1ccccc1 2230a_100000223495_100000184471 [0,0,1,0,0,0|3,0,0]=4 2097 B16R1.1694 CCCCCN(C)CCOc1ccccc1 269982a_100000184383_100000210215 [0,0,1,0,0,0|3,0,0]=4 2098 B16R1.1694 CCCCCN(C)CCOc1ccccc1 269982a_100000223495_100000184471 [0,0,1,0,0,0|3,0,0]=4 2099 B16R1.1694 CCCCCN(C)CCOc1ccccc1 270004a_100000223495_100000758736 [0,0,1,0,0,0|3,0,0]=4 2100 B16R1.1694 CCCCCN(C)CCSc1ccccc1 2230a_100000223495_100000246102 [0,0,1,0,0,0|3,0,0]=4 2101 B16R1.1694 CCCCCN(C)CCSc1ccccc1 269982a_100000223495_100000246102 [0,0,1,0,0,0|3,0,0]=4 2102 B16R1.1694 CCCCCN(C)COCc1ccccc1 2230a_100000223495_100000763385 [0,0,1,0,0,0|3,0,0]=4 2103 B16R1.1694 CCCCCN(C)CSCc1ccccc1 2230a_100000223495_200011217039 [0,0,1,0,0,0|3,0,0]=4 2104 B16R1.1694 CCCCCN(C)CSCc1ccccc1 269982a_100000223495_200011217039 [0,0,1,0,0,0|3,0,0]=4 2105 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 2708a_100000102301_100000106460 [0,0,1,0,0,0|2,0,1]=4 2106 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 2708a_100000106460_100000102301 [0,0,1,0,0,0|2,0,1]=4 2107 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 273464a_100000102301_100000106460 [0,0,1,0,0,0|2,0,1]=4 2108 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 273464a_100000106460_100000102301 [0,0,1,0,0,0|2,0,1]=4 2109 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 512a_100000102301_100000106460 [0,0,1,0,0,0|2,0,1]=4 2110 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 512a_100000106460_100000102301 [0,0,1,0,0,0|2,0,1]=4 2111 B16R1.1694 CCCCNC(C)CCCc1ccccc1 2230a_100000102301_200010759516 [0,0,1,0,0,0|2,0,0]=3 2112 B16R1.1694 CCCCNC(C)CCCc1ccccc1 7a_106832991798_200010759516 [0,0,1,0,0,0|2,0,0]=3 2113 B16R1.1694 CCCCNC(C)COCc1ccccc1 270004a_100000102301_100011215004 [0,0,1,0,0,0|3,0,0]=4 2114 B16R1.1694 CCCCNC(C)CSCc1ccccc1 270004a_100000102301_100000172147 [0,0,1,0,0,0|3,0,0]=4 2115 B16R1.1694 CCCCOC(C)CCCc1ccccc1 34a_100000210227_200010759516 [0,0,1,0,0,0|2,0,0]=3 2116 B16R1.1694 CCCCOC(C)CCCc1ccccc1 7a_100000210227_200010759516 [0,0,1,0,0,0|2,0,0]=3 2117 B16R1.1694 CCCCOC(C)COCc1ccccc1 34a_100000764311_100000210210 [0,0,1,0,0,0|3,0,0]=4 2118 B16R1.1694 CCCCOC(C)COCc1ccccc1 7a_100000764311_100000210211 [0,0,1,0,0,0|3,0,0]=4 2119 B16R1.1694 CCCCSC(C)CCCc1ccccc1 62a_100000210211_200010759516 [0,0,1,0,0,0|2,0,0]=3 2120 B16R1.1694 CCCCSC(C)CCCc1ccccc1 62a_200010759516_100000210210 [0,0,1,0,0,0|2,0,0]=3 2121 B16R1.1694 CCCNCC(=O)NCCc1ccccc1 2230a_100000747479_100000210303 [0,0,1,0,0,0|2,0,1]=4 2122 B16R1.1694 CCCNCC(=O)NCCc1ccccc1 34a_100000747479_100000210303 [0,0,1,0,0,0|2,0,1]=4 2123 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 11a_100000106460_100000745993 [0,0,1,0,0,0|2,0,1]=4 2124 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 1626a_100000106460_100000745993 [0,0,1,0,0,0|2,0,1]=4 2125 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 240690a_100000106460_100000745993 [0,0,1,0,0,0|2,0,1]=4 2126 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 34a_100000210258_100000183012 [0,0,1,0,0,0|2,0,1]=4 2127 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 527a_100000106460_100000745993 [0,0,1,0,0,0|2,0,1]=4 2128 B16R1.1694 CCCOCC(C)CNCc1ccccc1 34a_100015184949_100000210303 [0,0,1,0,0,0|3,0,0]=4 2129 B16R1.1694 CCCOCC(C)COCc1ccccc1 34a_100000210258_100011216253 [0,0,1,0,0,0|3,0,0]=4 2130 B16R1.1694 CCCOCC(C)COCc1ccccc1 34a_200011216033_100000210303 [0,0,1,0,0,0|3,0,0]=4 2131 B16R1.1694 CCCOCC(C)COCc1ccccc1 7a_200011216033_100000210303 [0,0,1,0,0,0|3,0,0]=4 2132 B16R1.1694 CCCSCC(=O)NCCc1ccccc1 11a_100000106460_100000217233 [0,0,1,0,0,0|2,0,1]=4 2133 B16R1.1694 CCCSCC(=O)NCCc1ccccc1 1626a_100000106460_100000217233 [0,0,1,0,0,0|2,0,1]=4 2134 B16R1.1694 CCCSCC(=O)NCCc1ccccc1 240690a_100000106460_100000217233 [0,0,1,0,0,0|2,0,1]=4 2135 B16R1.1694 CCCSCC(=O)NCCc1ccccc1 527a_100000106460_100000217233 [0,0,1,0,0,0|2,0,1]=4 2136 B16R1.1694 CCCSCC(=O)NCCc1ccccc1 62a_100000183012_100000210303 [0,0,1,0,0,0|2,0,1]=4 2137 B16R1.1694 CCCSCC(=O)NCCc1ccccc1 62a_100000210303_100000183012 [0,0,1,0,0,0|2,0,1]=4 2138 B16R1.1694 CCCSCC(C)COCc1ccccc1 62a_100000210303_100011216253 [0,0,1,0,0,0|3,0,0]=4 2139 B16R1.1694 CCCSCC(C)COCc1ccccc1 62a_100011216253_100000210303 [0,0,1,0,0,0|3,0,0]=4 2140 B16R1.1694 CCCSCC(C)NCCc1ccccc1 270004a_100000106460_100011343953 [0,0,1,0,0,0|1,0,0]=2 2141 B16R1.1694 CCCSCC(C)NCCc1ccccn1 270004a_100000211156_100011343953 [0,0,1,0,0,0|2,0,0]=3 2142 B16R1.1694 CCCSCC(C)NCCc1cccnc1 270004a_100000736294_100011343953 [0,0,1,0,0,0|2,0,0]=3 2143 B16R1.1694 CCCSCC(C)NCCc1ccncc1 270004a_100000742849_100011343953 [0,0,1,0,0,0|2,0,0]=3 2144 B16R1.1694 CCCSCC(C)NCCc1cnccn1 270004a_100000723456_100011343953 [0,0,1,0,0,0|3,0,0]=4 2145 B16R1.1694 CCOCCC(=O)NCCc1ccccc1 11a_100000106460_100000749530 [0,0,1,0,0,0|2,0,1]=4 2146 B16R1.1694 CCOCCC(=O)NCCc1ccccc1 1626a_100000106460_100000749530 [0,0,1,0,0,0|2,0,1]=4 2147 B16R1.1694 CCOCCC(=O)NCCc1ccccc1 240690a_100000106460_100000749530 [0,0,1,0,0,0|2,0,1]=4 2148 B16R1.1694 CCOCCC(=O)NCCc1ccccc1 527a_100000106460_100000749530 [0,0,1,0,0,0|2,0,1]=4 2149 B16R1.1694 CCOCCC(C)NCCc1ccccc1 270004a_100000106460_200011216536 [0,0,1,0,0,0|1,0,0]=2 2150 B16R1.1694 CCOCCC(C)NCCc1ccccn1 270004a_100000211156_200011216536 [0,0,1,0,0,0|2,0,0]=3 2151 B16R1.1694 CCOCCC(C)NCCc1cccnc1 270004a_100000736294_200011216536 [0,0,1,0,0,0|2,0,0]=3 2152 B16R1.1694 CCOCCC(C)NCCc1ccncc1 270004a_100000742849_200011216536 [0,0,1,0,0,0|2,0,0]=3 2153 B16R1.1694 CCOCCC(C)NCCc1cnccn1 270004a_100000723456_200011216536 [0,0,1,0,0,0|3,0,0]=4 2154 B16R1.1694 CCOCCN(C)CCCc1ccccc1 2230a_100000693637_100011215890 [0,0,1,0,0,0|3,0,0]=4 2155 B16R1.1694 CCOCCN(C)CCCc1ccccc1 269982a_100000693637_100011215890 [0,0,1,0,0,0|3,0,0]=4 2156 B16R1.1694 CCOCSC(C)CCCc1ccccc1 62a_100000739092_200010759516 [0,0,1,0,0,0|3,0,0]=4 2157 B16R1.1694 CCOCSC(C)CCCc1ccccc1 62a_200010759516_100000739092 [0,0,1,0,0,0|3,0,0]=4 2158 B16R1.1694 CCSCCC(=O)NCCc1ccccc1 11a_100000106460_100000230768 [0,0,1,0,0,0|2,0,1]=4 2159 B16R1.1694 CCSCCC(=O)NCCc1ccccc1 1626a_100000106460_100000230768 [0,0,1,0,0,0|2,0,1]=4 2160 B16R1.1694 CCSCCC(=O)NCCc1ccccc1 240690a_100000106460_100000230768 [0,0,1,0,0,0|2,0,1]=4 2161 B16R1.1694 CCSCCC(=O)NCCc1ccccc1 527a_100000106460_100000230768 [0,0,1,0,0,0|2,0,1]=4 2162 B16R1.1694 CCSCCN(C)CCCc1ccccc1 2230a_100000693637_100000757381 [0,0,1,0,0,0|3,0,0]=4 2163 B16R1.1694 CCSCCN(C)CCCc1ccccc1 269982a_100000693637_100000757381 [0,0,1,0,0,0|3,0,0]=4 2164 B16R1.1694 CN(CCCCF)CCCc1ccccc1 2230a_100000693637_100000729493 [0,0,1,0,0,0|3,0,0]=4 2165 B16R1.1694 CN(CCCCF)CCCc1ccccc1 269982a_100000693637_100000729493 [0,0,1,0,0,0|3,0,0]=4 2166 B16R1.1694 CN(CCCCO)CCCc1ccccc1 2230a_100000693637_100000210776 [0,0,1,0,0,0|3,0,0]=4 2167 B16R1.1694 CN(CCCCO)CCCc1ccccc1 2230a_100000717598_100000211621 [0,0,1,0,0,0|3,0,0]=4 2168 B16R1.1694 CN(CCCCO)CCCc1ccccc1 269982a_100000693637_100000210776 [0,0,1,0,0,0|3,0,0]=4 2169 B16R1.1694 CN(CCCCO)CCCc1ccccc1 269982a_100000717598_100000211621 [0,0,1,0,0,0|3,0,0]=4 2170 B16R1.1694 COCCCC(=O)NCCc1ccccc1 11a_100000106460_100000741012 [0,0,1,0,0,0|2,0,1]=4 2171 B16R1.1694 COCCCC(=O)NCCc1ccccc1 1626a_100000106460_100000741012 [0,0,1,0,0,0|2,0,1]=4 2172 B16R1.1694 COCCCC(=O)NCCc1ccccc1 240690a_100000106460_100000741012 [0,0,1,0,0,0|2,0,1]=4 2173 B16R1.1694 COCCCC(=O)NCCc1ccccc1 527a_100000106460_100000741012 [0,0,1,0,0,0|2,0,1]=4 2174 B16R1.1694 COCCCC(C)OCCc1ccccc1 34a_200011539412_100000765856 [0,0,1,0,0,0|2,0,0]=3 2175 B16R1.1694 COCCCC(C)OCCc1ccccc1 7a_200011539412_100000765856 [0,0,1,0,0,0|2,0,0]=3 2176 B16R1.1694 COCCCC(C)OCCc1ccccn1 7a_200011539412_100015183660 [0,0,1,0,0,0|3,0,0]=4 2177 B16R1.1694 COCCCC(C)OCCc1cccnc1 7a_200011539412_200011713674 [0,0,1,0,0,0|3,0,0]=4 2178 B16R1.1694 COCCCC(C)OCCc1ccncc1 7a_200011539412_100000723409 [0,0,1,0,0,0|3,0,0]=4 2179 B16R1.1694 COCCCN(C)CCCc1ccccc1 2230a_100000224831_100000211621 [0,0,1,0,0,0|3,0,0]=4 2180 B16R1.1694 COCCCN(C)CCCc1ccccc1 2230a_100000693637_100000740836 [0,0,1,0,0,0|3,0,0]=4 2181 B16R1.1694 COCCCN(C)CCCc1ccccc1 269982a_100000224831_100000211621 [0,0,1,0,0,0|3,0,0]=4 2182 B16R1.1694 COCCCN(C)CCCc1ccccc1 269982a_100000693637_100000740836 [0,0,1,0,0,0|3,0,0]=4 2183 B16R1.1694 COCCNC(C)CCCc1ccccc1 2230a_100000209980_200010759516 [0,0,1,0,0,0|3,0,0]=4 2184 B16R1.1694 COCCOC(C)CCCc1ccccc1 34a_100000210237_200010759516 [0,0,1,0,0,0|3,0,0]=4 2185 B16R1.1694 COCCSC(C)CCCc1ccccc1 62a_100000233755_200010759516 [0,0,1,0,0,0|3,0,0]=4 2186 B16R1.1694 COCCSC(C)CCCc1ccccc1 62a_200010759516_100000233755 [0,0,1,0,0,0|3,0,0]=4 2187 B16R1.1694 CSCCCC(=O)NCCc1ccccc1 11a_100000106460_100000173376 [0,0,1,0,0,0|2,0,1]=4 2188 B16R1.1694 CSCCCC(=O)NCCc1ccccc1 1626a_100000106460_100000173376 [0,0,1,0,0,0|2,0,1]=4 2189 B16R1.1694 CSCCCC(=O)NCCc1ccccc1 240690a_100000106460_100000173376 [0,0,1,0,0,0|2,0,1]=4 2190 B16R1.1694 CSCCCC(=O)NCCc1ccccc1 527a_100000106460_100000173376 [0,0,1,0,0,0|2,0,1]=4 2191 B16R1.1694 CSCCCC(C)NCCc1ccccc1 270004a_100000106460_100011399439 [0,0,1,0,0,0|1,0,0]=2 2192 B16R1.1694 CSCCCC(C)NCCc1ccccn1 270004a_100000211156_100011399439 [0,0,1,0,0,0|2,0,0]=3 2193 B16R1.1694 CSCCCC(C)NCCc1cccnc1 270004a_100000736294_100011399439 [0,0,1,0,0,0|2,0,0]=3 2194 B16R1.1694 CSCCCC(C)NCCc1ccncc1 270004a_100000742849_100011399439 [0,0,1,0,0,0|2,0,0]=3 2195 B16R1.1694 CSCCCC(C)NCCc1cnccn1 270004a_100000723456_100011399439 [0,0,1,0,0,0|3,0,0]=4 2196 B16R1.1694 CSCCNC(C)CCCc1ccccc1 2230a_100020590264_200010759516 [0,0,1,0,0,0|3,0,0]=4 2197 B16R1.1694 CSCCOC(C)CCCc1ccccc1 34a_100000230434_200010759516 [0,0,1,0,0,0|3,0,0]=4 2198 B16R1.1694 CSCCOC(C)CCCc1ccccc1 7a_100000230434_200010759516 [0,0,1,0,0,0|3,0,0]=4 2199 B16R1.1694 CSCCSC(C)CCCc1ccccc1 62a_100000212216_200010759516 [0,0,1,0,0,0|3,0,0]=4 2200 B16R1.1694 CSCCSC(C)CCCc1ccccc1 62a_200010759516_100000751147 [0,0,1,0,0,0|3,0,0]=4 2201 B16R1.1694 O=C(CCCCO)NCCc1ccccc1 1626a_100000106460_100000695505 [0,0,1,0,0,0|2,0,1]=4 2202 B16R1.4525 C#CC(CCCC)OCCc1ccccc1 34a_200011217967_100000765856 [0,0,1,0,0,0|1,0,2]=4 2203 B16R1.4525 C#CC(CCCC)OCCc1ccccc1 7a_200011217967_100000765856 [0,0,1,0,0,0|1,0,2]=4 2204 B16R1.4525 C=CC(CCCC)OCCc1ccccc1 34a_200011215037_100000765856 [0,0,1,0,0,0|1,0,2]=4 2205 B16R1.4525 C=CC(CCCC)OCCc1ccccc1 7a_200011215037_100000765856 [0,0,1,0,0,0|1,0,2]=4 2206 B16R1.4525 CCCCC(=NNCc1ccccc1)CC 4a_100000007032_100000753412 [0,0,1,0,0,0|1,0,2]=4 2207 B16R1.4525 CCCCC(C=NNc1ccccc1)CC 4a_100015195140_100011219736 [0,0,1,0,0,0|3,0,0]=4 2208 B16R1.4525 CCCCC(CC)CNCc1ccccc1 207a_100000209976_100015611070 [0,0,1,0,0,0|2,0,0]=3 2209 B16R1.4525 CCCCC(CC)CNCc1ccccc1 2230a_100000209976_100015291786 [0,0,1,0,0,0|2,0,0]=3 2210 B16R1.4525 CCCCC(CC)CNCc1ccccc1 2230a_100015324214_100000211942 [0,0,1,0,0,0|2,0,0]=3 2211 B16R1.4525 CCCCC(CC)CNCc1ccccc1 269862a_100015324214_100011219736 [0,0,1,0,0,0|2,0,0]=3 2212 B16R1.4525 CCCCC(CC)CNCc1ccccc1 270004a_100000209976_100015611070 [0,0,1,0,0,0|2,0,0]=3 2213 B16R1.4525 CCCCC(CC)CNCc1ccccc1 270004a_100015324214_100011219736 [0,0,1,0,0,0|2,0,0]=3 2214 B16R1.4525 CCCCC(CC)CNCc1ccccc1 34a_100015324214_100000211942 [0,0,1,0,0,0|2,0,0]=3 2215 B16R1.4525 CCCCC(CC)CNCc1ccccn1 207a_100000209976_100000209966 [0,0,1,0,0,0|3,0,0]=4 2216 B16R1.4525 CCCCC(CC)CNCc1ccccn1 2230a_100000209976_100000721315 [0,0,1,0,0,0|3,0,0]=4 2217 B16R1.4525 CCCCC(CC)CNCc1ccccn1 270004a_100000209976_100000209966 [0,0,1,0,0,0|3,0,0]=4 2218 B16R1.4525 CCCCC(CC)CNCc1ccccn1 270004a_100000210449_100011219736 [0,0,1,0,0,0|3,0,0]=4 2219 B16R1.4525 CCCCC(CC)CNCc1cccnc1 207a_100000209976_100000209961 [0,0,1,0,0,0|3,0,0]=4 2220 B16R1.4525 CCCCC(CC)CNCc1cccnc1 2230a_100000209976_100000741622 [0,0,1,0,0,0|3,0,0]=4 2221 B16R1.4525 CCCCC(CC)CNCc1cccnc1 269862a_100000210453_100011219736 [0,0,1,0,0,0|3,0,0]=4 2222 B16R1.4525 CCCCC(CC)CNCc1cccnc1 270004a_100000209976_100000209961 [0,0,1,0,0,0|3,0,0]=4 2223 B16R1.4525 CCCCC(CC)CNCc1cccnc1 270004a_100000210453_100011219736 [0,0,1,0,0,0|3,0,0]=4 2224 B16R1.4525 CCCCC(CC)CNCc1ccncc1 207a_100000209976_100000186114 [0,0,1,0,0,0|3,0,0]=4 2225 B16R1.4525 CCCCC(CC)CNCc1ccncc1 2230a_100000209976_100015193705 [0,0,1,0,0,0|3,0,0]=4 2226 B16R1.4525 CCCCC(CC)CNCc1ccncc1 269862a_100000210450_100011219736 [0,0,1,0,0,0|3,0,0]=4 2227 B16R1.4525 CCCCC(CC)COCc1ccccc1 34a_100000210273_100015291786 [0,0,1,0,0,0|2,0,0]=3 2228 B16R1.4525 CCCCC(CC)COCc1ccccc1 34a_100000210790_100000211942 [0,0,1,0,0,0|2,0,0]=3 2229 B16R1.4525 CCCCC(CC)COCc1ccccc1 7a_100000210273_100000211182 [0,0,1,0,0,0|2,0,0]=3 2230 B16R1.4525 CCCCC(CC)COCc1ccccc1 7a_100000210790_100000211942 [0,0,1,0,0,0|2,0,0]=3 2231 B16R1.4525 CCCCC(CC)COCc1ccccn1 34a_100000210273_100000721315 [0,0,1,0,0,0|3,0,0]=4 2232 B16R1.4525 CCCCC(CC)COCc1ccccn1 7a_100000210273_100000721315 [0,0,1,0,0,0|3,0,0]=4 2233 B16R1.4525 CCCCC(CC)COCc1cccnc1 34a_100000210273_100000733263 [0,0,1,0,0,0|3,0,0]=4 2234 B16R1.4525 CCCCC(CC)COCc1cccnc1 7a_100000210273_100000741622 [0,0,1,0,0,0|3,0,0]=4 2235 B16R1.4525 CCCCC(CC)COCc1ccncc1 7a_100000210273_100015193705 [0,0,1,0,0,0|3,0,0]=4 2236 B16R1.4525 CCCCC(CC)CSCc1ccccc1 62a_100000211182_100000211942 [0,0,1,0,0,0|2,0,0]=3 2237 B16R1.4525 CCCCC(CC)CSCc1ccccc1 62a_100000211942_100015291786 [0,0,1,0,0,0|2,0,0]=3 2238 B16R1.4525 CCCCC(CC)CSCc1ccccn1 62a_100000211942_100000721315 [0,0,1,0,0,0|3,0,0]=4 2239 B16R1.4525 CCCCC(CC)CSCc1ccccn1 62a_100000721315_100000211942 [0,0,1,0,0,0|3,0,0]=4 2240 B16R1.4525 CCCCC(CC)CSCc1cccnc1 62a_100000211942_100000741622 [0,0,1,0,0,0|3,0,0]=4 2241 B16R1.4525 CCCCC(CC)CSCc1cccnc1 62a_100000741622_100000211942 [0,0,1,0,0,0|3,0,0]=4 2242 B16R1.4525 CCCCC(CC)CSCc1ccncc1 62a_100000211942_100015193705 [0,0,1,0,0,0|3,0,0]=4 2243 B16R1.4525 CCCCC(CC)CSCc1ccncc1 62a_100015193705_100000211942 [0,0,1,0,0,0|3,0,0]=4 2244 B16R1.4525 CCCCC(CC)NCCc1ccccc1 270004a_100000106460_100000753412 [0,0,1,0,0,0|0,0,0]=1 2245 B16R1.4525 CCCCC(CC)NCCc1ccccc1 34a_100000106460_200011216223 [0,0,1,0,0,0|0,0,0]=1 2246 B16R1.4525 CCCCC(CC)NCCc1ccccn1 270004a_100000211156_100000753412 [0,0,1,0,0,0|1,0,0]=2 2247 B16R1.4525 CCCCC(CC)NCCc1cccnc1 270004a_100000736294_100000753412 [0,0,1,0,0,0|1,0,0]=2 2248 B16R1.4525 CCCCC(CC)NCCc1ccncc1 270004a_100000742849_100000753412 [0,0,1,0,0,0|1,0,0]=2 2249 B16R1.4525 CCCCC(CC)NCCc1cnccn1 270004a_100000723456_100000753412 [0,0,1,0,0,0|2,0,0]=3 2250 B16R1.4525 CCCCC(CC)OCCc1ccccc1 34a_100000210268_200011216223 [0,0,1,0,0,0|1,0,0]=2 2251 B16R1.4525 CCCCC(CC)OCCc1ccccc1 34a_100011215227_100000765856 [0,0,1,0,0,0|1,0,0]=2 2252 B16R1.4525 CCCCC(CC)OCCc1ccccc1 7a_100000210268_200011216223 [0,0,1,0,0,0|1,0,0]=2 2253 B16R1.4525 CCCCC(CC)OCCc1ccccc1 7a_100011215227_100000765856 [0,0,1,0,0,0|1,0,0]=2 2254 B16R1.4525 CCCCC(CC)OCCc1ccccn1 34a_100000210271_200011216223 [0,0,1,0,0,0|2,0,0]=3 2255 B16R1.4525 CCCCC(CC)OCCc1ccccn1 7a_100011215227_100015183660 [0,0,1,0,0,0|2,0,0]=3 2256 B16R1.4525 CCCCC(CC)OCCc1cccnc1 34a_100011217484_200011216223 [0,0,1,0,0,0|2,0,0]=3 2257 B16R1.4525 CCCCC(CC)OCCc1cccnc1 7a_100011215227_200011713674 [0,0,1,0,0,0|2,0,0]=3 2258 B16R1.4525 CCCCC(CC)OCCc1ccncc1 34a_100011216225_200011216223 [0,0,1,0,0,0|2,0,0]=3 2259 B16R1.4525 CCCCC(CC)OCCc1ccncc1 7a_100011215227_100000723409 [0,0,1,0,0,0|2,0,0]=3 2260 B16R1.4525 CCCCC(CC)OCCc1cnccn1 34a_100011349526_200011216223 [0,0,1,0,0,0|3,0,0]=4 2261 B16R1.4525 CCCCC(CC)OCCc1cncnc1 34a_100011709255_200011216223 [0,0,1,0,0,0|3,0,0]=4 2262 B16R1.4525 CCCCC(CC)SCCc1ccccc1 62a_100000765856_200011216223 [0,0,1,0,0,0|1,0,0]=2 2263 B16R1.4525 CCCCC(CC)SCCc1ccccc1 62a_200011216223_100011218657 [0,0,1,0,0,0|1,0,0]=2 2264 B16R1.4525 CCCCC(CC)SCCc1ccccn1 62a_100015183660_200011216223 [0,0,1,0,0,0|2,0,0]=3 2265 B16R1.4525 CCCCC(CC)SCCc1ccccn1 62a_200011216223_100015183660 [0,0,1,0,0,0|2,0,0]=3 2266 B16R1.4525 CCCCC(CC)SCCc1cccnc1 62a_200011216223_200011713674 [0,0,1,0,0,0|2,0,0]=3 2267 B16R1.4525 CCCCC(CC)SCCc1cccnc1 62a_200011713674_200011216223 [0,0,1,0,0,0|2,0,0]=3 2268 B16R1.4525 CCCCC(CC)SCCc1ccncc1 62a_100000723409_200011216223 [0,0,1,0,0,0|2,0,0]=3 2269 B16R1.4525 CCCCC(CC)SCCc1ccncc1 62a_200011216223_100000723409 [0,0,1,0,0,0|2,0,0]=3 2270 B16R1.4525 CCCCC(CC)SCSc1ccccc1 62a_100011218342_200011216223 [0,0,1,0,0,0|2,0,0]=3 2271 B16R1.4525 CCCCC(CC)SCSc1ccccc1 62a_200011216223_100011218342 [0,0,1,0,0,0|2,0,0]=3 2272 B16R1.4525 CCCCN(CC)CCCc1ccccc1 2230a_100000207695_100000211621 [0,0,1,0,0,0|2,0,0]=3 2273 B16R1.4525 CCCCN(CC)CCCc1ccccc1 2230a_200000200706_100000210202 [0,0,1,0,0,0|2,0,0]=3 2274 B16R1.4525 CCCCN(CC)CCCc1ccccc1 269982a_100000207695_100000211621 [0,0,1,0,0,0|2,0,0]=3 2275 B16R1.4525 CCCCN(CC)CCCc1ccccc1 269982a_200000200706_100000204670 [0,0,1,0,0,0|2,0,0]=3 2276 B16R1.4525 CCCCN(CC)CCCc1ccccc1 34a_200000200706_100000210202 [0,0,1,0,0,0|2,0,0]=3 2277 B16R1.4525 CCCCN(CC)CCOc1ccccc1 2230a_100000207695_100000184471 [0,0,1,0,0,0|3,0,0]=4 2278 B16R1.4525 CCCCN(CC)CCOc1ccccc1 2230a_100015187784_100000210211 [0,0,1,0,0,0|3,0,0]=4 2279 B16R1.4525 CCCCN(CC)CCOc1ccccc1 269982a_100000207695_100000184471 [0,0,1,0,0,0|3,0,0]=4 2280 B16R1.4525 CCCCN(CC)CCOc1ccccc1 269982a_100015187784_100000210211 [0,0,1,0,0,0|3,0,0]=4 2281 B16R1.4525 CCCCN(CC)CCOc1ccccc1 270004a_100000207695_100000758736 [0,0,1,0,0,0|3,0,0]=4 2282 B16R1.4525 CCCCN(CC)CCSc1ccccc1 2230a_100000207695_100000246102 [0,0,1,0,0,0|3,0,0]=4 2283 B16R1.4525 CCCCN(CC)CCSc1ccccc1 269982a_100000207695_100000246102 [0,0,1,0,0,0|3,0,0]=4 2284 B16R1.4525 CCCCN(CC)COCc1ccccc1 2230a_100000207695_100000763385 [0,0,1,0,0,0|3,0,0]=4 2285 B16R1.4525 CCCCN(CC)CSCc1ccccc1 2230a_100000207695_200011217039 [0,0,1,0,0,0|3,0,0]=4 2286 B16R1.4525 CCCCN(CC)CSCc1ccccc1 269982a_100000207695_200011217039 [0,0,1,0,0,0|3,0,0]=4 2287 B16R1.4525 CCCCN(CF)CCCc1ccccc1 269982a_200000200706_100015361967 [0,0,1,0,0,0|3,0,0]=4 2288 B16R1.4525 CCCCN(CF)CCCc1ccccc1 34a_200000200706_100015361967 [0,0,1,0,0,0|3,0,0]=4 2289 B16R1.4525 CCCC[C@@H](CO)NCCc1ccccc1 2230a_100011934283_100000765856 [0,0,1,0,0,0|1,0,0]=2 2290 B16R1.4525 CCCC[C@@H](CO)NCCc1ccccc1 34a_100011934283_100000765856 [0,0,1,0,0,0|1,0,0]=2 2291 B16R1.4525 CCCC[C@@H](CO)NCCc1ccccn1 2230a_100011934283_100015183660 [0,0,1,0,0,0|2,0,0]=3 2292 B16R1.4525 CCCC[C@@H](CO)NCCc1cccnc1 2230a_100011934283_200011713674 [0,0,1,0,0,0|2,0,0]=3 2293 B16R1.4525 CCCC[C@@H](CO)NCCc1ccncc1 2230a_100011934283_100000723409 [0,0,1,0,0,0|2,0,0]=3 2294 B16R1.4525 CCCC[C@@H](CO)NCSc1ccccc1 2230a_100011934283_100011218342 [0,0,1,0,0,0|2,0,0]=3 2295 B16R1.4525 CCCNC(CC)COCc1ccccc1 270004a_100020643023_100011595450 [0,0,1,0,0,0|3,0,0]=4 2296 B16R1.4525 CCN(CCCc1ccccc1)CCOC 2230a_100000731262_100000211621 [0,0,1,0,0,0|3,0,0]=4 2297 B16R1.4525 CCN(CCCc1ccccc1)CCOC 269982a_100000731262_100000211621 [0,0,1,0,0,0|3,0,0]=4 2298 B16R1.4525 CCOCC(CN)OCCc1ccccc1 34a_102515437182_100000765856 [0,0,1,0,0,0|3,0,0]=4 2299 B16R1.4525 CSCC[C@@H](CO)NCCc1ccccc1 2230a_100011827619_100000765856 [0,0,1,0,0,0|2,0,0]=3 2300 B16R1.4525 CSCC[C@@H](CO)NCCc1ccccn1 2230a_100011827619_100015183660 [0,0,1,0,0,0|3,0,0]=4 2301 B16R1.4525 CSCC[C@@H](CO)NCCc1cccnc1 2230a_100011827619_200011713674 [0,0,1,0,0,0|3,0,0]=4 2302 B16R1.4525 CSCC[C@@H](CO)NCCc1ccncc1 2230a_100011827619_100000723409 [0,0,1,0,0,0|3,0,0]=4 2303 B16R1.4525 CSCC[C@@H](CO)NCSc1ccccc1 2230a_100011827619_100011218342 [0,0,1,0,0,0|3,0,0]=4 2304 B16R1.4640 C/C=C/C(CCC)OCCc1ccccc1 34a_200016264281_100000765856 [0,0,1,0,0,0|1,0,2]=4 2305 B16R1.4640 C/C=C/C(CCC)OCCc1ccccc1 7a_200016264281_100000765856 [0,0,1,0,0,0|1,0,2]=4 2306 B16R1.4640 C=CCC(CCC)OCCc1ccccc1 34a_100011215139_100000765856 [0,0,1,0,0,0|1,0,2]=4 2307 B16R1.4640 C=CCC(CCC)OCCc1ccccc1 7a_100011215139_100000765856 [0,0,1,0,0,0|1,0,2]=4 2308 B16R1.4640 CCCC(=NNCc1ccccc1)CCC 4a_100000007032_100000210088 [0,0,1,0,0,0|1,0,2]=4 2309 B16R1.4640 CCCC(CCC)COCc1ccccc1 34a_200011215456_100015291786 [0,0,1,0,0,0|2,0,0]=3 2310 B16R1.4640 CCCC(CCC)COCc1ccccc1 7a_200011215456_100000211182 [0,0,1,0,0,0|2,0,0]=3 2311 B16R1.4640 CCCC(CCC)COCc1ccccn1 34a_200011215456_100000721315 [0,0,1,0,0,0|3,0,0]=4 2312 B16R1.4640 CCCC(CCC)COCc1ccccn1 7a_200011215456_100000721315 [0,0,1,0,0,0|3,0,0]=4 2313 B16R1.4640 CCCC(CCC)COCc1cccnc1 34a_200011215456_100000733263 [0,0,1,0,0,0|3,0,0]=4 2314 B16R1.4640 CCCC(CCC)COCc1cccnc1 7a_200011215456_100000741622 [0,0,1,0,0,0|3,0,0]=4 2315 B16R1.4640 CCCC(CCC)COCc1ccncc1 7a_200011215456_100015193705 [0,0,1,0,0,0|3,0,0]=4 2316 B16R1.4640 CCCC(CCC)NCCc1ccccc1 2230a_100011207992_100000765856 [0,0,1,0,0,0|0,0,0]=1 2317 B16R1.4640 CCCC(CCC)NCCc1ccccc1 270004a_100000106460_100000210088 [0,0,1,0,0,0|0,0,0]=1 2318 B16R1.4640 CCCC(CCC)NCCc1ccccc1 34a_100000106460_200011218217 [0,0,1,0,0,0|0,0,0]=1 2319 B16R1.4640 CCCC(CCC)NCCc1ccccc1 34a_100011207992_100000765856 [0,0,1,0,0,0|0,0,0]=1 2320 B16R1.4640 CCCC(CCC)NCCc1ccccn1 2230a_100011207992_100015183660 [0,0,1,0,0,0|1,0,0]=2 2321 B16R1.4640 CCCC(CCC)NCCc1ccccn1 270004a_100000211156_100000210088 [0,0,1,0,0,0|1,0,0]=2 2322 B16R1.4640 CCCC(CCC)NCCc1cccnc1 2230a_100011207992_200011713674 [0,0,1,0,0,0|1,0,0]=2 2323 B16R1.4640 CCCC(CCC)NCCc1cccnc1 270004a_100000736294_100000210088 [0,0,1,0,0,0|1,0,0]=2 2324 B16R1.4640 CCCC(CCC)NCCc1ccncc1 2230a_100011207992_100000723409 [0,0,1,0,0,0|1,0,0]=2 2325 B16R1.4640 CCCC(CCC)NCCc1ccncc1 270004a_100000742849_100000210088 [0,0,1,0,0,0|1,0,0]=2 2326 B16R1.4640 CCCC(CCC)NCCc1cnccn1 270004a_100000723456_100000210088 [0,0,1,0,0,0|2,0,0]=3 2327 B16R1.4640 CCCC(CCC)NCSc1ccccc1 2230a_100011207992_100011218342 [0,0,1,0,0,0|1,0,0]=2 2328 B16R1.4640 CCCC(CCC)OCCc1ccccc1 34a_100000210268_200011218217 [0,0,1,0,0,0|1,0,0]=2 2329 B16R1.4640 CCCC(CCC)OCCc1ccccc1 34a_200011218534_100000765856 [0,0,1,0,0,0|1,0,0]=2 2330 B16R1.4640 CCCC(CCC)OCCc1ccccc1 7a_100000210268_200011218217 [0,0,1,0,0,0|1,0,0]=2 2331 B16R1.4640 CCCC(CCC)OCCc1ccccc1 7a_200011218534_100000765856 [0,0,1,0,0,0|1,0,0]=2 2332 B16R1.4640 CCCC(CCC)OCCc1ccccn1 34a_100000210271_200011218217 [0,0,1,0,0,0|2,0,0]=3 2333 B16R1.4640 CCCC(CCC)OCCc1ccccn1 7a_200011218534_100015183660 [0,0,1,0,0,0|2,0,0]=3 2334 B16R1.4640 CCCC(CCC)OCCc1cccnc1 34a_100011217484_200011218217 [0,0,1,0,0,0|2,0,0]=3 2335 B16R1.4640 CCCC(CCC)OCCc1cccnc1 7a_200011218534_200011713674 [0,0,1,0,0,0|2,0,0]=3 2336 B16R1.4640 CCCC(CCC)OCCc1ccncc1 34a_100011216225_200011218217 [0,0,1,0,0,0|2,0,0]=3 2337 B16R1.4640 CCCC(CCC)OCCc1ccncc1 7a_200011218534_100000723409 [0,0,1,0,0,0|2,0,0]=3 2338 B16R1.4640 CCCC(CCC)OCCc1cnccn1 34a_100011349526_200011218217 [0,0,1,0,0,0|3,0,0]=4 2339 B16R1.4640 CCCC(CCC)OCCc1cncnc1 34a_100011709255_200011218217 [0,0,1,0,0,0|3,0,0]=4 2340 B16R1.4640 CCCC(CCC)SCCc1ccccc1 62a_100000765856_200011218217 [0,0,1,0,0,0|1,0,0]=2 2341 B16R1.4640 CCCC(CCC)SCCc1ccccc1 62a_200011218217_100011218657 [0,0,1,0,0,0|1,0,0]=2 2342 B16R1.4640 CCCC(CCC)SCCc1ccccn1 62a_100015183660_200011218217 [0,0,1,0,0,0|2,0,0]=3 2343 B16R1.4640 CCCC(CCC)SCCc1ccccn1 62a_200011218217_100015183660 [0,0,1,0,0,0|2,0,0]=3 2344 B16R1.4640 CCCC(CCC)SCCc1cccnc1 62a_200011218217_200011713674 [0,0,1,0,0,0|2,0,0]=3 2345 B16R1.4640 CCCC(CCC)SCCc1cccnc1 62a_200011713674_200011218217 [0,0,1,0,0,0|2,0,0]=3 2346 B16R1.4640 CCCC(CCC)SCCc1ccncc1 62a_100000723409_200011218217 [0,0,1,0,0,0|2,0,0]=3 2347 B16R1.4640 CCCC(CCC)SCCc1ccncc1 62a_200011218217_100000723409 [0,0,1,0,0,0|2,0,0]=3 2348 B16R1.4640 CCCC(CCC)SCSc1ccccc1 62a_100011218342_200011218217 [0,0,1,0,0,0|2,0,0]=3 2349 B16R1.4640 CCCC(CCC)SCSc1ccccc1 62a_200011218217_100011218342 [0,0,1,0,0,0|2,0,0]=3 2350 B16R1.4640 CCCN(CCC)CCCc1ccccc1 2230a_100000210455_100000211621 [0,0,1,0,0,0|2,0,0]=3 2351 B16R1.4640 CCCN(CCC)CCCc1ccccc1 269982a_100000210455_100000211621 [0,0,1,0,0,0|2,0,0]=3 2352 B16R1.4640 CCCN(CCC)CCOc1ccccc1 2230a_100000210455_100000184471 [0,0,1,0,0,0|3,0,0]=4 2353 B16R1.4640 CCCN(CCC)CCOc1ccccc1 269982a_100000210455_100000184471 [0,0,1,0,0,0|3,0,0]=4 2354 B16R1.4640 CCCN(CCC)CCOc1ccccc1 270004a_100000210455_100000758736 [0,0,1,0,0,0|3,0,0]=4 2355 B16R1.4640 CCCN(CCC)CCSc1ccccc1 2230a_100000210455_100000246102 [0,0,1,0,0,0|3,0,0]=4 2356 B16R1.4640 CCCN(CCC)CCSc1ccccc1 269982a_100000210455_100000246102 [0,0,1,0,0,0|3,0,0]=4 2357 B16R1.4640 CCCN(CCC)COCc1ccccc1 2230a_100000210455_100000763385 [0,0,1,0,0,0|3,0,0]=4 2358 B16R1.4640 CCCN(CCC)CSCc1ccccc1 2230a_100000210455_200011217039 [0,0,1,0,0,0|3,0,0]=4 2359 B16R1.4640 CCCN(CCC)CSCc1ccccc1 269982a_100000210455_200011217039 [0,0,1,0,0,0|3,0,0]=4 2360 B16R1.4640 CCCN(CCO)CCCc1ccccc1 2230a_100000211420_100000211621 [0,0,1,0,0,0|3,0,0]=4 2361 B16R1.4640 CCCN(CCO)CCCc1ccccc1 269982a_100000211420_100000211621 [0,0,1,0,0,0|3,0,0]=4 2362 B16R1.4640 CCC[C@@H](CCO)NCCc1ccccc1 2230a_100015193777_100000765856 [0,0,1,0,0,0|1,0,0]=2 2363 B16R1.4640 CCC[C@@H](CCO)NCCc1ccccc1 34a_100015193777_100000765856 [0,0,1,0,0,0|1,0,0]=2 2364 B16R1.4640 CCC[C@@H](CCO)NCCc1ccccn1 2230a_100015193777_100015183660 [0,0,1,0,0,0|2,0,0]=3 2365 B16R1.4640 CCC[C@@H](CCO)NCCc1cccnc1 2230a_100015193777_200011713674 [0,0,1,0,0,0|2,0,0]=3 2366 B16R1.4640 CCC[C@@H](CCO)NCCc1ccncc1 2230a_100015193777_100000723409 [0,0,1,0,0,0|2,0,0]=3 2367 B16R1.4640 CCC[C@@H](CCO)NCSc1ccccc1 2230a_100015193777_100011218342 [0,0,1,0,0,0|2,0,0]=3 2368 B16R1.4640 COCC(COC)NCCc1ccccc1 2230a_100011997029_100000765856 [0,0,1,0,0,0|2,0,0]=3 2369 B16R1.4640 COCC(COC)NCCc1ccccc1 270004a_100000106460_100000761750 [0,0,1,0,0,0|2,0,0]=3 2370 B16R1.4640 COCC(COC)NCCc1ccccn1 2230a_100011997029_100015183660 [0,0,1,0,0,0|3,0,0]=4 2371 B16R1.4640 COCC(COC)NCCc1ccccn1 270004a_100000211156_100000761750 [0,0,1,0,0,0|3,0,0]=4 2372 B16R1.4640 COCC(COC)NCCc1cccnc1 2230a_100011997029_200011713674 [0,0,1,0,0,0|3,0,0]=4 2373 B16R1.4640 COCC(COC)NCCc1cccnc1 270004a_100000736294_100000761750 [0,0,1,0,0,0|3,0,0]=4 2374 B16R1.4640 COCC(COC)NCCc1ccncc1 2230a_100011997029_100000723409 [0,0,1,0,0,0|3,0,0]=4 2375 B16R1.4640 COCC(COC)NCCc1ccncc1 270004a_100000742849_100000761750 [0,0,1,0,0,0|3,0,0]=4 2376 B16R1.4640 COCC(COC)NCSc1ccccc1 2230a_100011997029_100011218342 [0,0,1,0,0,0|3,0,0]=4 2377 B16R1.4640 COCC(COC)OCCc1ccccc1 34a_100000766098_100000765856 [0,0,1,0,0,0|3,0,0]=4 2378 B16R1.4640 CSCC(CSC)OCCc1ccccc1 7a_200000036665_100000765856 [0,0,1,0,0,0|3,0,0]=4 2379 B16R1.20903 C=CC=CC(=O)NCCC1CCCCCC1 1626a_100011532351_100016291481 [0,0,1,0,0,0|3,0,0]=4 2380 B16R1.20903 C=CCNC(=O)CCNC1CCCCCC1 2230a_100000210984_100011222895 [0,0,1,0,0,0|2,0,1]=4 2381 B18R3.1958 c1ccc2c(c1)CCC2N3CCCCCC3 2230a_100000185865_200000721974 [0,0,0,1,0,0|2,0,0]=3 2382 B18R3.1958 c1ccc2c(c1)CCC2N3CCCCCC3 269982a_100000185865_200000721974 [0,0,0,1,0,0|2,0,0]=3 2383 B18R3.1958 c1ccc2c(c1)CCC2N3CCCOCC3 2230a_100000685342_200000721974 [0,0,0,1,0,0|3,0,0]=4 2384 B18R3.1958 c1ccc2c(c1)CCC2N3CCCOCC3 269982a_100000685342_200000721974 [0,0,0,1,0,0|3,0,0]=4 2385 B18R3.10314 c1ccc2c(c1)CC2OC3CCCCCC3 7a_100000210887_100009813401 [0,0,0,1,0,0|1,0,0]=2 2386 B18R3.10314 c1ccc2c(c1)CC2SC3CCCCCC3 62a_100009813401_100011217769 [0,0,0,1,0,0|1,0,0]=2 2387 B18R3.10314 c1ccc2c(c1)CC2SC3CCCCCC3 62a_100011217769_100009813401 [0,0,0,1,0,0|1,0,0]=2 2388 B18R3.12827 c1cc(ccn1)CCN2C3CCC2COC3 2230a_100015205251_100000723409 [0,0,0,1,0,0|2,0,0]=3 2389 B18R3.12827 c1cc(ccn1)CCN2C3CCC2COC3 269982a_100015205251_100000723409 [0,0,0,1,0,0|2,0,0]=3 2390 B18R3.12827 c1ccc(cc1)CCN2C3CCC2COC3 2230a_100015205251_100000765856 [0,0,0,1,0,0|1,0,0]=2 2391 B18R3.12827 c1ccc(cc1)CCN2C3CCC2COC3 269982a_100015205251_100000765856 [0,0,0,1,0,0|1,0,0]=2 2392 B18R3.12827 c1ccc(cc1)CCN2C3CCC2COC3 34a_100015205251_100000765856 [0,0,0,1,0,0|1,0,0]=2 2393 B18R3.12827 c1ccc(cc1)SCN2C3CCC2COC3 2230a_100015205251_100011218342 [0,0,0,1,0,0|2,0,0]=3 2394 B18R3.12827 c1ccc(cc1)SCN2C3CCC2COC3 269982a_100015205251_100011218342 [0,0,0,1,0,0|2,0,0]=3 2395 B18R3.12827 c1ccc(nc1)CCN2C3CCC2COC3 2230a_100015205251_100015183660 [0,0,0,1,0,0|2,0,0]=3 2396 B18R3.12827 c1ccc(nc1)CCN2C3CCC2COC3 269982a_100015205251_100015183660 [0,0,0,1,0,0|2,0,0]=3 2397 B18R3.12827 c1cncc(c1)CCN2C3CCC2COC3 2230a_100015205251_200011713674 [0,0,0,1,0,0|2,0,0]=3 2398 B18R3.12827 c1cncc(c1)CCN2C3CCC2COC3 269982a_100015205251_200011713674 [0,0,0,1,0,0|2,0,0]=3 2399 B18R3.12854 c1cc(ccn1)CCNC2CCCC3C2C3 269862a_100000742849_100000697651 [0,0,0,1,0,0|1,0,0]=2 2400 B18R3.12854 c1ccc(cc1)CCNC2CCCC3C2C3 269862a_100000106460_100000697651 [0,0,0,1,0,0|0,0,0]=1 2401 B18R3.12854 c1ccc(cc1)CNN=C2CCCC3C2C3 4a_100000007032_100000697651 [0,0,0,1,0,0|1,0,2]=4 2402 B18R3.12854 c1ccc(nc1)CCNC2CCCC3C2C3 269862a_100000211156_100000697651 [0,0,0,1,0,0|1,0,0]=2 2403 B18R3.12854 c1cnc(cn1)CCNC2CCCC3C2C3 269862a_100000723456_100000697651 [0,0,0,1,0,0|2,0,0]=3 2404 B18R3.12854 c1cncc(c1)CCNC2CCCC3C2C3 269862a_100000736294_100000697651 [0,0,0,1,0,0|1,0,0]=2 2405 B16R2.2256 C(=NNC1CCCCC1)c2ccccc2 4a_100000709804_100015611070 [0,0,0,0,1,0|1,0,1]=3 2406 B16R2.2256 C(=NNC1CCCCC1)c2ccccn2 4a_100000709804_100000209966 [0,0,0,0,1,0|2,0,1]=4 2407 B16R2.2256 C(=NNC1CCCCC1)c2cccnc2 4a_100000709804_100000209961 [0,0,0,0,1,0|2,0,1]=4 2408 B16R2.2256 C(=NNC1CCCCC1)c2ccncc2 4a_100000709804_100000186114 [0,0,0,0,1,0|2,0,1]=4 2409 B16R2.2256 C(=NNC1CCOCC1)c2ccccc2 4a_100000687383_100015611070 [0,0,0,0,1,0|2,0,1]=4 2410 B16R2.2256 C(=NNc1ccccc1)C2CCCCC2 4a_100015195140_100000211278 [0,0,0,0,1,0|3,0,0]=4 2411 B16R2.2256 C1=CC(CCC1)NCCc2ccccc2 2230a_100000106460_100000751183 [0,0,0,0,1,0|0,0,2]=3 2412 B16R2.2256 C1=CC(CCC1)NCCc2cccnc2 2230a_100000736294_100000751183 [0,0,0,0,1,0|1,0,2]=4 2413 B16R2.2256 C1=CC(CCC1)OCCc2ccccc2 34a_100011215024_100000765856 [0,0,0,0,1,0|1,0,2]=4 2414 B16R2.2256 C1=CC(CCC1)OCCc2ccccc2 7a_100000210268_100000751183 [0,0,0,0,1,0|1,0,2]=4 2415 B16R2.2256 C1=CC(CCC1)SCCc2ccccc2 62a_100000751183_100011218657 [0,0,0,0,1,0|1,0,2]=4 2416 B16R2.2256 C1=CC(CCC1)SCCc2ccccc2 62a_100000765856_100000751183 [0,0,0,0,1,0|1,0,2]=4 2417 B16R2.2256 C1=CCC(CC1)OCCc2ccccc2 34a_100000073881_100000765856 [0,0,0,0,1,0|1,0,2]=4 2418 B16R2.2256 c1cc(ccn1)CCNC2CCCCC2 2230a_100000182618_100000723409 [0,0,0,0,1,0|1,0,0]=2 2419 B16R2.2256 c1cc(ccn1)CCNC2CCCCC2 270004a_100000742849_100000210434 [0,0,0,0,1,0|1,0,0]=2 2420 B16R2.2256 c1cc(ccn1)CCNC2CCCOC2 2230a_100000719290_100000723409 [0,0,0,0,1,0|2,0,0]=3 2421 B16R2.2256 c1cc(ccn1)CCNC2CCCOC2 270004a_100000742849_100000753404 [0,0,0,0,1,0|2,0,0]=3 2422 B16R2.2256 c1cc(ccn1)CCNC2CCCSC2 270004a_100000742849_100000057913 [0,0,0,0,1,0|2,0,0]=3 2423 B16R2.2256 c1cc(ccn1)CCNC2CCNCC2 270004a_100000742849_100015192401 [0,0,0,0,1,0|2,0,0]=3 2424 B16R2.2256 c1cc(ccn1)CCNC2CCOCC2 2230a_100000741149_100000723409 [0,0,0,0,1,0|2,0,0]=3 2425 B16R2.2256 c1cc(ccn1)CCNC2CCOCC2 270004a_100000742849_100011217826 [0,0,0,0,1,0|2,0,0]=3 2426 B16R2.2256 c1cc(ccn1)CCNC2CCSCC2 2230a_100000748639_100000723409 [0,0,0,0,1,0|2,0,0]=3 2427 B16R2.2256 c1cc(ccn1)CCNC2CCSCC2 270004a_100000742849_100000203788 [0,0,0,0,1,0|2,0,0]=3 2428 B16R2.2256 c1cc(ccn1)CCOC2CCCCC2 34a_100011216225_100000210327 [0,0,0,0,1,0|2,0,0]=3 2429 B16R2.2256 c1cc(ccn1)CCOC2CCCCC2 7a_100000210231_100000723409 [0,0,0,0,1,0|2,0,0]=3 2430 B16R2.2256 c1cc(ccn1)CCOC2CCCOC2 34a_100011216225_100000693364 [0,0,0,0,1,0|3,0,0]=4 2431 B16R2.2256 c1cc(ccn1)CCOC2CCCSC2 7a_100015962668_100000723409 [0,0,0,0,1,0|3,0,0]=4 2432 B16R2.2256 c1cc(ccn1)CCOC2CCSCC2 34a_100011216225_100000069128 [0,0,0,0,1,0|3,0,0]=4 2433 B16R2.2256 c1cc(ccn1)CCOC2CCSCC2 7a_100000731022_100000723409 [0,0,0,0,1,0|3,0,0]=4 2434 B16R2.2256 c1cc(ccn1)CCSC2CCCCC2 62a_100000210327_100000723409 [0,0,0,0,1,0|2,0,0]=3 2435 B16R2.2256 c1cc(ccn1)CCSC2CCCCC2 62a_100000723409_100000210327 [0,0,0,0,1,0|2,0,0]=3 2436 B16R2.2256 c1cc(ccn1)CCSC2CCCOC2 62a_100000723409_100000693364 [0,0,0,0,1,0|3,0,0]=4 2437 B16R2.2256 c1cc(ccn1)CCSC2CCOCC2 62a_100000723409_100011324220 [0,0,0,0,1,0|3,0,0]=4 2438 B16R2.2256 c1cc(ccn1)CCSC2CCSCC2 62a_100000723409_100000069128 [0,0,0,0,1,0|3,0,0]=4 2439 B16R2.2256 c1cc(ccn1)CNCC2CCCCC2 207a_100000210473_100000186114 [0,0,0,0,1,0|3,0,0]=4 2440 B16R2.2256 c1cc(ccn1)CNCC2CCCCC2 2230a_100000210473_100015193705 [0,0,0,0,1,0|3,0,0]=4 2441 B16R2.2256 c1cc(ccn1)CNCC2CCCCC2 269862a_100000210450_100000211278 [0,0,0,0,1,0|3,0,0]=4 2442 B16R2.2256 c1cc(ccn1)COCC2CCCCC2 7a_100000212181_100015193705 [0,0,0,0,1,0|3,0,0]=4 2443 B16R2.2256 c1cc(ccn1)CSCC2CCCCC2 62a_100000211423_100015193705 [0,0,0,0,1,0|3,0,0]=4 2444 B16R2.2256 c1cc(ccn1)CSCC2CCCCC2 62a_100015193705_100000211423 [0,0,0,0,1,0|3,0,0]=4 2445 B16R2.2256 c1cc(ccn1)OCCC2CCCCC2 34a_100000212176_100011209188 [0,0,0,0,1,0|3,0,0]=4 2446 B16R2.2256 c1cc(ccn1)OCOC2CCCCC2 34a_100000212176_100011935260 [0,0,0,0,1,0|3,0,0]=4 2447 B16R2.2256 c1cc(ccn1)SCCC2CCCCC2 62a_100000728582_100012355289 [0,0,0,0,1,0|3,0,0]=4 2448 B16R2.2256 c1cc(ccn1)SCCC2CCCCC2 62a_100012355289_100000728582 [0,0,0,0,1,0|3,0,0]=4 2449 B16R2.2256 c1cc(ccn1)SCOC2CCCCC2 62a_100000728582_100011935260 [0,0,0,0,1,0|3,0,0]=4 2450 B16R2.2256 c1cc(ccn1)SCOC2CCCCC2 62a_100011935260_100000728582 [0,0,0,0,1,0|3,0,0]=4 2451 B16R2.2256 c1ccc(cc1)CCCN2CCCOC2 2230a_100000131196_100000211621 [0,0,0,0,1,0|3,0,0]=4 2452 B16R2.2256 c1ccc(cc1)CCCN2CCCOC2 269982a_100000131196_100000211621 [0,0,0,0,1,0|3,0,0]=4 2453 B16R2.2256 c1ccc(cc1)CCCN2CCCOC2 34a_100000131196_100000211621 [0,0,0,0,1,0|3,0,0]=4 2454 B16R2.2256 c1ccc(cc1)CCCN2CCOCC2 2230a_100015191051_100000211621 [0,0,0,0,1,0|3,0,0]=4 2455 B16R2.2256 c1ccc(cc1)CCCN2CCOCC2 269982a_100015191051_100000211621 [0,0,0,0,1,0|3,0,0]=4 2456 B16R2.2256 c1ccc(cc1)CCCN2CCOCC2 34a_100015191051_100000211621 [0,0,0,0,1,0|3,0,0]=4 2457 B16R2.2256 c1ccc(cc1)CCCN2CCSCC2 2230a_100000737611_100000211621 [0,0,0,0,1,0|3,0,0]=4 2458 B16R2.2256 c1ccc(cc1)CCCN2CCSCC2 269982a_100000737611_100000211621 [0,0,0,0,1,0|3,0,0]=4 2459 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100000765856 [0,0,0,0,1,0|0,0,0]=1 2460 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 270004a_100000106460_100000210434 [0,0,0,0,1,0|0,0,0]=1 2461 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 34a_100000106460_100000210327 [0,0,0,0,1,0|0,0,0]=1 2462 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100000765856 [0,0,0,0,1,0|0,0,0]=1 2463 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100000765856 [0,0,0,0,1,0|1,0,0]=2 2464 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 270004a_100000106460_100000753404 [0,0,0,0,1,0|1,0,0]=2 2465 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 34a_100000106460_100000693364 [0,0,0,0,1,0|1,0,0]=2 2466 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 34a_100000719290_100000765856 [0,0,0,0,1,0|1,0,0]=2 2467 B16R2.2256 c1ccc(cc1)CCNC2CCCSC2 270004a_100000106460_100000057913 [0,0,0,0,1,0|1,0,0]=2 2468 B16R2.2256 c1ccc(cc1)CCNC2CCNCC2 270004a_100000106460_100015192401 [0,0,0,0,1,0|1,0,0]=2 2469 B16R2.2256 c1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100000765856 [0,0,0,0,1,0|1,0,0]=2 2470 B16R2.2256 c1ccc(cc1)CCNC2CCOCC2 270004a_100000106460_100011217826 [0,0,0,0,1,0|1,0,0]=2 2471 B16R2.2256 c1ccc(cc1)CCNC2CCOCC2 34a_100000741149_100000765856 [0,0,0,0,1,0|1,0,0]=2 2472 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100000765856 [0,0,0,0,1,0|1,0,0]=2 2473 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 270004a_100000106460_100000203788 [0,0,0,0,1,0|1,0,0]=2 2474 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 34a_100000106460_100000069128 [0,0,0,0,1,0|1,0,0]=2 2475 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 34a_100000748639_100000765856 [0,0,0,0,1,0|1,0,0]=2 2476 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100000765856 [0,0,0,0,1,0|1,0,0]=2 2477 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 34a_100000210268_100000210327 [0,0,0,0,1,0|1,0,0]=2 2478 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100000765856 [0,0,0,0,1,0|1,0,0]=2 2479 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 7a_100000210268_100000210327 [0,0,0,0,1,0|1,0,0]=2 2480 B16R2.2256 c1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100000765856 [0,0,0,0,1,0|2,0,0]=3 2481 B16R2.2256 c1ccc(cc1)CCOC2CCCOC2 34a_100000210268_100000693364 [0,0,0,0,1,0|2,0,0]=3 2482 B16R2.2256 c1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100000765856 [0,0,0,0,1,0|2,0,0]=3 2483 B16R2.2256 c1ccc(cc1)CCOC2CCCOC2 7a_100000210268_100000693364 [0,0,0,0,1,0|2,0,0]=3 2484 B16R2.2256 c1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100000765856 [0,0,0,0,1,0|2,0,0]=3 2485 B16R2.2256 c1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100000765856 [0,0,0,0,1,0|2,0,0]=3 2486 B16R2.2256 c1ccc(cc1)CCOC2CCOCC2 7a_100000210268_100000686592 [0,0,0,0,1,0|2,0,0]=3 2487 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 34a_100000210268_100000069128 [0,0,0,0,1,0|2,0,0]=3 2488 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100000765856 [0,0,0,0,1,0|2,0,0]=3 2489 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 7a_100000210268_100011500858 [0,0,0,0,1,0|2,0,0]=3 2490 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100000765856 [0,0,0,0,1,0|2,0,0]=3 2491 B16R2.2256 c1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011218657 [0,0,0,0,1,0|1,0,0]=2 2492 B16R2.2256 c1ccc(cc1)CCSC2CCCCC2 62a_100000765856_100000210327 [0,0,0,0,1,0|1,0,0]=2 2493 B16R2.2256 c1ccc(cc1)CCSC2CCCOC2 62a_100000765856_100000693364 [0,0,0,0,1,0|2,0,0]=3 2494 B16R2.2256 c1ccc(cc1)CCSC2CCOCC2 62a_100000765856_100011324220 [0,0,0,0,1,0|2,0,0]=3 2495 B16R2.2256 c1ccc(cc1)CCSC2CCSCC2 62a_100000765856_100000069128 [0,0,0,0,1,0|2,0,0]=3 2496 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100015611070 [0,0,0,0,1,0|2,0,0]=3 2497 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100015291786 [0,0,0,0,1,0|2,0,0]=3 2498 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 2230a_100015324214_100000211423 [0,0,0,0,1,0|2,0,0]=3 2499 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 269862a_100015324214_100000211278 [0,0,0,0,1,0|2,0,0]=3 2500 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 270004a_100000210473_100015611070 [0,0,0,0,1,0|2,0,0]=3 2501 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100015291786 [0,0,0,0,1,0|2,0,0]=3 2502 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 34a_100015324214_100000211423 [0,0,0,0,1,0|2,0,0]=3 2503 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100015611070 [0,0,0,0,1,0|3,0,0]=4 2504 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100015291786 [0,0,0,0,1,0|3,0,0]=4 2505 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 2230a_100015324214_100000211543 [0,0,0,0,1,0|3,0,0]=4 2506 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 270004a_100000174945_100015611070 [0,0,0,0,1,0|3,0,0]=4 2507 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100015291786 [0,0,0,0,1,0|3,0,0]=4 2508 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 34a_100015324214_100000211543 [0,0,0,0,1,0|3,0,0]=4 2509 B16R2.2256 c1ccc(cc1)CNCC2CCCOC2 207a_100000720124_100015611070 [0,0,0,0,1,0|3,0,0]=4 2510 B16R2.2256 c1ccc(cc1)CNCC2CCCOC2 2230a_100000720124_100015291786 [0,0,0,0,1,0|3,0,0]=4 2511 B16R2.2256 c1ccc(cc1)CNCC2CCCOC2 2230a_100015324214_100000741521 [0,0,0,0,1,0|3,0,0]=4 2512 B16R2.2256 c1ccc(cc1)CNCC2CCCOC2 270004a_100000720124_100015611070 [0,0,0,0,1,0|3,0,0]=4 2513 B16R2.2256 c1ccc(cc1)CNCC2CCCOC2 34a_100000720124_100015291786 [0,0,0,0,1,0|3,0,0]=4 2514 B16R2.2256 c1ccc(cc1)CNCC2CCCOC2 34a_100015324214_100000741521 [0,0,0,0,1,0|3,0,0]=4 2515 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 207a_100000746373_100015611070 [0,0,0,0,1,0|3,0,0]=4 2516 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 2230a_100000746373_100015291786 [0,0,0,0,1,0|3,0,0]=4 2517 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 2230a_100015324214_100000754603 [0,0,0,0,1,0|3,0,0]=4 2518 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 269862a_100015324214_100000749017 [0,0,0,0,1,0|3,0,0]=4 2519 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 270004a_100000746373_100015611070 [0,0,0,0,1,0|3,0,0]=4 2520 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 34a_100000746373_100015291786 [0,0,0,0,1,0|3,0,0]=4 2521 B16R2.2256 c1ccc(cc1)CNCC2CCOCC2 34a_100015324214_100000754603 [0,0,0,0,1,0|3,0,0]=4 2522 B16R2.2256 c1ccc(cc1)CNCC2CCSCC2 207a_100015188806_100015611070 [0,0,0,0,1,0|3,0,0]=4 2523 B16R2.2256 c1ccc(cc1)CNCC2CCSCC2 2230a_100015188806_100015291786 [0,0,0,0,1,0|3,0,0]=4 2524 B16R2.2256 c1ccc(cc1)CNCC2CCSCC2 269862a_100015324214_100000067145 [0,0,0,0,1,0|3,0,0]=4 2525 B16R2.2256 c1ccc(cc1)CNCC2CCSCC2 270004a_100015188806_100015611070 [0,0,0,0,1,0|3,0,0]=4 2526 B16R2.2256 c1ccc(cc1)CNCC2CCSCC2 270004a_100015324214_100000067145 [0,0,0,0,1,0|3,0,0]=4 2527 B16R2.2256 c1ccc(cc1)CNCC2CCSCC2 34a_100015188806_100015291786 [0,0,0,0,1,0|3,0,0]=4 2528 B16R2.2256 c1ccc(cc1)CNN=C2CCCCC2 4a_100000007032_100000210434 [0,0,0,0,1,0|1,0,2]=4 2529 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 34a_100000210790_100000211423 [0,0,0,0,1,0|2,0,0]=3 2530 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 34a_100000212181_100015291786 [0,0,0,0,1,0|2,0,0]=3 2531 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 7a_100000210790_100000211423 [0,0,0,0,1,0|2,0,0]=3 2532 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 7a_100000212181_100000211182 [0,0,0,0,1,0|2,0,0]=3 2533 B16R2.2256 c1ccc(cc1)COCC2CCCCN2 34a_100000210821_100015291786 [0,0,0,0,1,0|3,0,0]=4 2534 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 34a_100000210790_100000211543 [0,0,0,0,1,0|3,0,0]=4 2535 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 34a_100000211370_100015291786 [0,0,0,0,1,0|3,0,0]=4 2536 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 7a_100000210790_100000211543 [0,0,0,0,1,0|3,0,0]=4 2537 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 7a_100000211370_100000211182 [0,0,0,0,1,0|3,0,0]=4 2538 B16R2.2256 c1ccc(cc1)COCC2CCCNC2 34a_100000211344_100015291786 [0,0,0,0,1,0|3,0,0]=4 2539 B16R2.2256 c1ccc(cc1)COCC2CCCOC2 34a_100000210790_100000741521 [0,0,0,0,1,0|3,0,0]=4 2540 B16R2.2256 c1ccc(cc1)COCC2CCCOC2 34a_100000741520_100015291786 [0,0,0,0,1,0|3,0,0]=4 2541 B16R2.2256 c1ccc(cc1)COCC2CCCOC2 7a_100000210790_100000741521 [0,0,0,0,1,0|3,0,0]=4 2542 B16R2.2256 c1ccc(cc1)COCC2CCNCC2 34a_100000738675_100015291786 [0,0,0,0,1,0|3,0,0]=4 2543 B16R2.2256 c1ccc(cc1)COCC2CCOCC2 34a_100000210790_100000754603 [0,0,0,0,1,0|3,0,0]=4 2544 B16R2.2256 c1ccc(cc1)COCC2CCOCC2 34a_100000749013_100015291786 [0,0,0,0,1,0|3,0,0]=4 2545 B16R2.2256 c1ccc(cc1)COCC2CCOCC2 7a_100000210790_100000754603 [0,0,0,0,1,0|3,0,0]=4 2546 B16R2.2256 c1ccc(cc1)COCC2CCSCC2 34a_100000070558_100015291786 [0,0,0,0,1,0|3,0,0]=4 2547 B16R2.2256 c1ccc(cc1)COCC2CCSCC2 7a_100000070558_100000211182 [0,0,0,0,1,0|3,0,0]=4 2548 B16R2.2256 c1ccc(cc1)CSCC2CCCCC2 62a_100000211182_100000211423 [0,0,0,0,1,0|2,0,0]=3 2549 B16R2.2256 c1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100015291786 [0,0,0,0,1,0|2,0,0]=3 2550 B16R2.2256 c1ccc(cc1)CSCC2CCCCO2 62a_100000211182_100000211543 [0,0,0,0,1,0|3,0,0]=4 2551 B16R2.2256 c1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100015291786 [0,0,0,0,1,0|3,0,0]=4 2552 B16R2.2256 c1ccc(cc1)CSCC2CCCOC2 62a_100000211182_100000741521 [0,0,0,0,1,0|3,0,0]=4 2553 B16R2.2256 c1ccc(cc1)CSCC2CCCOC2 62a_100000741521_100015291786 [0,0,0,0,1,0|3,0,0]=4 2554 B16R2.2256 c1ccc(cc1)CSCC2CCOCC2 62a_100000211182_100000749018 [0,0,0,0,1,0|3,0,0]=4 2555 B16R2.2256 c1ccc(cc1)CSCC2CCOCC2 62a_100000754603_100015291786 [0,0,0,0,1,0|3,0,0]=4 2556 B16R2.2256 c1ccc(cc1)NCCC2CCCCC2 34a_100000106764_100011209188 [0,0,0,0,1,0|2,0,0]=3 2557 B16R2.2256 c1ccc(cc1)NCCC2CCOCC2 34a_100000106764_100011934994 [0,0,0,0,1,0|3,0,0]=4 2558 B16R2.2256 c1ccc(cc1)NCCN2CCCCC2 34a_100000106764_100000739454 [0,0,0,0,1,0|3,0,0]=4 2559 B16R2.2256 c1ccc(cc1)NCOC2CCCCC2 34a_100000106764_100011935260 [0,0,0,0,1,0|2,0,0]=3 2560 B16R2.2256 c1ccc(cc1)OCCC2CCCCC2 34a_100000210340_100011209188 [0,0,0,0,1,0|2,0,0]=3 2561 B16R2.2256 c1ccc(cc1)OCCC2CCCCC2 7a_100000210340_100011273959 [0,0,0,0,1,0|2,0,0]=3 2562 B16R2.2256 c1ccc(cc1)OCCC2CCOCC2 34a_100000210340_100011934994 [0,0,0,0,1,0|3,0,0]=4 2563 B16R2.2256 c1ccc(cc1)OCCC2CCOCC2 7a_100000210340_100011934994 [0,0,0,0,1,0|3,0,0]=4 2564 B16R2.2256 c1ccc(cc1)OCCN2CCCCC2 34a_100000210340_100000739454 [0,0,0,0,1,0|3,0,0]=4 2565 B16R2.2256 c1ccc(cc1)OCCN2CCCCC2 7a_100000210340_100000739454 [0,0,0,0,1,0|3,0,0]=4 2566 B16R2.2256 c1ccc(cc1)OCOC2CCCCC2 34a_100000210340_100011935260 [0,0,0,0,1,0|2,0,0]=3 2567 B16R2.2256 c1ccc(cc1)OCOC2CCCCC2 7a_100000210340_100011935260 [0,0,0,0,1,0|2,0,0]=3 2568 B16R2.2256 c1ccc(cc1)SCCC2CCCCC2 62a_100000719477_100012355289 [0,0,0,0,1,0|2,0,0]=3 2569 B16R2.2256 c1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000041952 [0,0,0,0,1,0|2,0,0]=3 2570 B16R2.2256 c1ccc(cc1)SCCC2CCOCC2 62a_100000719477_100011934994 [0,0,0,0,1,0|3,0,0]=4 2571 B16R2.2256 c1ccc(cc1)SCCC2CCOCC2 62a_100011934994_100000041952 [0,0,0,0,1,0|3,0,0]=4 2572 B16R2.2256 c1ccc(cc1)SCCN2CCCCC2 62a_100000719477_100000739454 [0,0,0,0,1,0|3,0,0]=4 2573 B16R2.2256 c1ccc(cc1)SCCN2CCCCC2 62a_100000739454_100000041952 [0,0,0,0,1,0|3,0,0]=4 2574 B16R2.2256 c1ccc(cc1)SCNC2CCCCC2 2230a_100000182618_100011218342 [0,0,0,0,1,0|1,0,0]=2 2575 B16R2.2256 c1ccc(cc1)SCNC2CCCOC2 2230a_100000719290_100011218342 [0,0,0,0,1,0|2,0,0]=3 2576 B16R2.2256 c1ccc(cc1)SCNC2CCOCC2 2230a_100000741149_100011218342 [0,0,0,0,1,0|2,0,0]=3 2577 B16R2.2256 c1ccc(cc1)SCNC2CCSCC2 2230a_100000748639_100011218342 [0,0,0,0,1,0|2,0,0]=3 2578 B16R2.2256 c1ccc(cc1)SCOC2CCCCC2 62a_100000719477_100011935260 [0,0,0,0,1,0|2,0,0]=3 2579 B16R2.2256 c1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000041952 [0,0,0,0,1,0|2,0,0]=3 2580 B16R2.2256 c1ccc(cc1)SCSC2CCCCC2 62a_100000210327_100011218342 [0,0,0,0,1,0|2,0,0]=3 2581 B16R2.2256 c1ccc(cc1)SCSC2CCCCC2 62a_100011218342_100000210327 [0,0,0,0,1,0|2,0,0]=3 2582 B16R2.2256 c1ccc(cc1)SCSC2CCCOC2 62a_100011218342_100000693364 [0,0,0,0,1,0|3,0,0]=4 2583 B16R2.2256 c1ccc(cc1)SCSC2CCOCC2 62a_100011218342_100011324220 [0,0,0,0,1,0|3,0,0]=4 2584 B16R2.2256 c1ccc(cc1)SCSC2CCSCC2 62a_100011218342_100000069128 [0,0,0,0,1,0|3,0,0]=4 2585 B16R2.2256 c1ccc(nc1)CCNC2CCCCC2 2230a_100000182618_100015183660 [0,0,0,0,1,0|1,0,0]=2 2586 B16R2.2256 c1ccc(nc1)CCNC2CCCCC2 270004a_100000211156_100000210434 [0,0,0,0,1,0|1,0,0]=2 2587 B16R2.2256 c1ccc(nc1)CCNC2CCCOC2 2230a_100000719290_100015183660 [0,0,0,0,1,0|2,0,0]=3 2588 B16R2.2256 c1ccc(nc1)CCNC2CCCOC2 270004a_100000211156_100000753404 [0,0,0,0,1,0|2,0,0]=3 2589 B16R2.2256 c1ccc(nc1)CCNC2CCCSC2 270004a_100000211156_100000057913 [0,0,0,0,1,0|2,0,0]=3 2590 B16R2.2256 c1ccc(nc1)CCNC2CCNCC2 270004a_100000211156_100015192401 [0,0,0,0,1,0|2,0,0]=3 2591 B16R2.2256 c1ccc(nc1)CCNC2CCOCC2 2230a_100000741149_100015183660 [0,0,0,0,1,0|2,0,0]=3 2592 B16R2.2256 c1ccc(nc1)CCNC2CCOCC2 270004a_100000211156_100011217826 [0,0,0,0,1,0|2,0,0]=3 2593 B16R2.2256 c1ccc(nc1)CCNC2CCSCC2 2230a_100000748639_100015183660 [0,0,0,0,1,0|2,0,0]=3 2594 B16R2.2256 c1ccc(nc1)CCNC2CCSCC2 270004a_100000211156_100000203788 [0,0,0,0,1,0|2,0,0]=3 2595 B16R2.2256 c1ccc(nc1)CCOC2CCCCC2 34a_100000210271_100000210327 [0,0,0,0,1,0|2,0,0]=3 2596 B16R2.2256 c1ccc(nc1)CCOC2CCCCC2 7a_100000210231_100015183660 [0,0,0,0,1,0|2,0,0]=3 2597 B16R2.2256 c1ccc(nc1)CCOC2CCCOC2 34a_100000210271_100000693364 [0,0,0,0,1,0|3,0,0]=4 2598 B16R2.2256 c1ccc(nc1)CCOC2CCCSC2 7a_100015962668_100015183660 [0,0,0,0,1,0|3,0,0]=4 2599 B16R2.2256 c1ccc(nc1)CCOC2CCSCC2 34a_100000210271_100000069128 [0,0,0,0,1,0|3,0,0]=4 2600 B16R2.2256 c1ccc(nc1)CCOC2CCSCC2 7a_100000731022_100015183660 [0,0,0,0,1,0|3,0,0]=4 2601 B16R2.2256 c1ccc(nc1)CCSC2CCCCC2 62a_100000210327_100015183660 [0,0,0,0,1,0|2,0,0]=3 2602 B16R2.2256 c1ccc(nc1)CCSC2CCCCC2 62a_100015183660_100000210327 [0,0,0,0,1,0|2,0,0]=3 2603 B16R2.2256 c1ccc(nc1)CCSC2CCCOC2 62a_100015183660_100000693364 [0,0,0,0,1,0|3,0,0]=4 2604 B16R2.2256 c1ccc(nc1)CCSC2CCOCC2 62a_100015183660_100011324220 [0,0,0,0,1,0|3,0,0]=4 2605 B16R2.2256 c1ccc(nc1)CCSC2CCSCC2 62a_100015183660_100000069128 [0,0,0,0,1,0|3,0,0]=4 2606 B16R2.2256 c1ccc(nc1)CNCC2CCCCC2 207a_100000210473_100000209966 [0,0,0,0,1,0|3,0,0]=4 2607 B16R2.2256 c1ccc(nc1)CNCC2CCCCC2 2230a_100000210473_100000721315 [0,0,0,0,1,0|3,0,0]=4 2608 B16R2.2256 c1ccc(nc1)CNCC2CCCCC2 270004a_100000210473_100000209966 [0,0,0,0,1,0|3,0,0]=4 2609 B16R2.2256 c1ccc(nc1)CNCC2CCCCC2 34a_100000210473_100000721315 [0,0,0,0,1,0|3,0,0]=4 2610 B16R2.2256 c1ccc(nc1)COCC2CCCCC2 34a_100000212181_100000721315 [0,0,0,0,1,0|3,0,0]=4 2611 B16R2.2256 c1ccc(nc1)COCC2CCCCC2 7a_100000212181_100000721315 [0,0,0,0,1,0|3,0,0]=4 2612 B16R2.2256 c1ccc(nc1)CSCC2CCCCC2 62a_100000211423_100000721315 [0,0,0,0,1,0|3,0,0]=4 2613 B16R2.2256 c1ccc(nc1)CSCC2CCCCC2 62a_100000721315_100000211423 [0,0,0,0,1,0|3,0,0]=4 2614 B16R2.2256 c1ccc(nc1)SCCC2CCCCC2 62a_100011216584_100012355289 [0,0,0,0,1,0|3,0,0]=4 2615 B16R2.2256 c1ccc(nc1)SCCC2CCCCC2 62a_100012355289_100011216584 [0,0,0,0,1,0|3,0,0]=4 2616 B16R2.2256 c1ccc(nc1)SCOC2CCCCC2 62a_100011216584_100011935260 [0,0,0,0,1,0|3,0,0]=4 2617 B16R2.2256 c1ccc(nc1)SCOC2CCCCC2 62a_100011935260_100011216584 [0,0,0,0,1,0|3,0,0]=4 2618 B16R2.2256 c1cnc(cn1)CCNC2CCCCC2 270004a_100000723456_100000210434 [0,0,0,0,1,0|2,0,0]=3 2619 B16R2.2256 c1cnc(cn1)CCNC2CCCOC2 270004a_100000723456_100000753404 [0,0,0,0,1,0|3,0,0]=4 2620 B16R2.2256 c1cnc(cn1)CCNC2CCCSC2 270004a_100000723456_100000057913 [0,0,0,0,1,0|3,0,0]=4 2621 B16R2.2256 c1cnc(cn1)CCNC2CCNCC2 270004a_100000723456_100015192401 [0,0,0,0,1,0|3,0,0]=4 2622 B16R2.2256 c1cnc(cn1)CCNC2CCOCC2 270004a_100000723456_100011217826 [0,0,0,0,1,0|3,0,0]=4 2623 B16R2.2256 c1cnc(cn1)CCNC2CCSCC2 270004a_100000723456_100000203788 [0,0,0,0,1,0|3,0,0]=4 2624 B16R2.2256 c1cnc(cn1)CCOC2CCCCC2 34a_100011349526_100000210327 [0,0,0,0,1,0|3,0,0]=4 2625 B16R2.2256 c1cncc(c1)CCNC2CCCCC2 2230a_100000182618_200011713674 [0,0,0,0,1,0|1,0,0]=2 2626 B16R2.2256 c1cncc(c1)CCNC2CCCCC2 270004a_100000736294_100000210434 [0,0,0,0,1,0|1,0,0]=2 2627 B16R2.2256 c1cncc(c1)CCNC2CCCOC2 2230a_100000719290_200011713674 [0,0,0,0,1,0|2,0,0]=3 2628 B16R2.2256 c1cncc(c1)CCNC2CCCOC2 270004a_100000736294_100000753404 [0,0,0,0,1,0|2,0,0]=3 2629 B16R2.2256 c1cncc(c1)CCNC2CCCSC2 270004a_100000736294_100000057913 [0,0,0,0,1,0|2,0,0]=3 2630 B16R2.2256 c1cncc(c1)CCNC2CCNCC2 270004a_100000736294_100015192401 [0,0,0,0,1,0|2,0,0]=3 2631 B16R2.2256 c1cncc(c1)CCNC2CCOCC2 2230a_100000741149_200011713674 [0,0,0,0,1,0|2,0,0]=3 2632 B16R2.2256 c1cncc(c1)CCNC2CCOCC2 270004a_100000736294_100011217826 [0,0,0,0,1,0|2,0,0]=3 2633 B16R2.2256 c1cncc(c1)CCNC2CCSCC2 2230a_100000748639_200011713674 [0,0,0,0,1,0|2,0,0]=3 2634 B16R2.2256 c1cncc(c1)CCNC2CCSCC2 270004a_100000736294_100000203788 [0,0,0,0,1,0|2,0,0]=3 2635 B16R2.2256 c1cncc(c1)CCOC2CCCCC2 34a_100011217484_100000210327 [0,0,0,0,1,0|2,0,0]=3 2636 B16R2.2256 c1cncc(c1)CCOC2CCCCC2 7a_100000210231_200011713674 [0,0,0,0,1,0|2,0,0]=3 2637 B16R2.2256 c1cncc(c1)CCOC2CCCOC2 34a_100011217484_100000693364 [0,0,0,0,1,0|3,0,0]=4 2638 B16R2.2256 c1cncc(c1)CCOC2CCCSC2 7a_100015962668_200011713674 [0,0,0,0,1,0|3,0,0]=4 2639 B16R2.2256 c1cncc(c1)CCOC2CCSCC2 34a_100011217484_100000069128 [0,0,0,0,1,0|3,0,0]=4 2640 B16R2.2256 c1cncc(c1)CCOC2CCSCC2 7a_100000731022_200011713674 [0,0,0,0,1,0|3,0,0]=4 2641 B16R2.2256 c1cncc(c1)CCSC2CCCCC2 62a_100000210327_200011713674 [0,0,0,0,1,0|2,0,0]=3 2642 B16R2.2256 c1cncc(c1)CCSC2CCCCC2 62a_200011713674_100000210327 [0,0,0,0,1,0|2,0,0]=3 2643 B16R2.2256 c1cncc(c1)CCSC2CCCOC2 62a_200011713674_100000693364 [0,0,0,0,1,0|3,0,0]=4 2644 B16R2.2256 c1cncc(c1)CCSC2CCOCC2 62a_200011713674_100011324220 [0,0,0,0,1,0|3,0,0]=4 2645 B16R2.2256 c1cncc(c1)CCSC2CCSCC2 62a_200011713674_100000069128 [0,0,0,0,1,0|3,0,0]=4 2646 B16R2.2256 c1cncc(c1)CNCC2CCCCC2 207a_100000210473_100000209961 [0,0,0,0,1,0|3,0,0]=4 2647 B16R2.2256 c1cncc(c1)CNCC2CCCCC2 2230a_100000210473_100000741622 [0,0,0,0,1,0|3,0,0]=4 2648 B16R2.2256 c1cncc(c1)CNCC2CCCCC2 269862a_100000210453_100000211278 [0,0,0,0,1,0|3,0,0]=4 2649 B16R2.2256 c1cncc(c1)CNCC2CCCCC2 270004a_100000210473_100000209961 [0,0,0,0,1,0|3,0,0]=4 2650 B16R2.2256 c1cncc(c1)CNCC2CCCCC2 34a_100000210473_100000733263 [0,0,0,0,1,0|3,0,0]=4 2651 B16R2.2256 c1cncc(c1)COCC2CCCCC2 34a_100000212181_100000733263 [0,0,0,0,1,0|3,0,0]=4 2652 B16R2.2256 c1cncc(c1)COCC2CCCCC2 7a_100000212181_100000741622 [0,0,0,0,1,0|3,0,0]=4 2653 B16R2.2256 c1cncc(c1)CSCC2CCCCC2 62a_100000211423_100000741622 [0,0,0,0,1,0|3,0,0]=4 2654 B16R2.2256 c1cncc(c1)CSCC2CCCCC2 62a_100000741622_100000211423 [0,0,0,0,1,0|3,0,0]=4 2655 B16R2.2256 c1cncc(c1)OCCC2CCCCC2 34a_100000210849_100011209188 [0,0,0,0,1,0|3,0,0]=4 2656 B16R2.2256 c1cncc(c1)OCCC2CCCCC2 7a_100000210849_100011273959 [0,0,0,0,1,0|3,0,0]=4 2657 B16R2.2256 c1cncc(c1)OCOC2CCCCC2 34a_100000210849_100011935260 [0,0,0,0,1,0|3,0,0]=4 2658 B16R2.2256 c1cncc(c1)OCOC2CCCCC2 7a_100000210849_100011935260 [0,0,0,0,1,0|3,0,0]=4 2659 B16R2.2256 c1cncc(c1)SCCC2CCCCC2 62a_100000210063_100012355289 [0,0,0,0,1,0|3,0,0]=4 2660 B16R2.2256 c1cncc(c1)SCCC2CCCCC2 62a_100012355289_100000210063 [0,0,0,0,1,0|3,0,0]=4 2661 B16R2.2256 c1cncc(c1)SCOC2CCCCC2 62a_100000210063_100011935260 [0,0,0,0,1,0|3,0,0]=4 2662 B16R2.2256 c1cncc(c1)SCOC2CCCCC2 62a_100011935260_100000210063 [0,0,0,0,1,0|3,0,0]=4 2663 B16R2.2256 c1ncc(cn1)CCOC2CCCCC2 34a_100011709255_100000210327 [0,0,0,0,1,0|3,0,0]=4 2664 B16R2.5334 c1cc(ccn1)CCN2CCCCCC2 2230a_100000185865_100000723409 [0,0,0,0,1,0|2,0,0]=3 2665 B16R2.5334 c1cc(ccn1)CCN2CCCCCC2 269982a_100000185865_100000723409 [0,0,0,0,1,0|2,0,0]=3 2666 B16R2.5334 c1cc(ccn1)CCN2CCCOCC2 2230a_100000685342_100000723409 [0,0,0,0,1,0|3,0,0]=4 2667 B16R2.5334 c1cc(ccn1)CCN2CCCOCC2 269982a_100000685342_100000723409 [0,0,0,0,1,0|3,0,0]=4 2668 B16R2.5334 c1cc(ccn1)CNC2CCCCCC2 207a_100000210984_100000186114 [0,0,0,0,1,0|1,0,0]=2 2669 B16R2.5334 c1cc(ccn1)CNC2CCCCCC2 2230a_100000210984_100015193705 [0,0,0,0,1,0|1,0,0]=2 2670 B16R2.5334 c1cc(ccn1)COC2CCCCCC2 7a_100000210887_100015193705 [0,0,0,0,1,0|2,0,0]=3 2671 B16R2.5334 c1cc(ccn1)CSC2CCCCCC2 62a_100011217769_100015193705 [0,0,0,0,1,0|2,0,0]=3 2672 B16R2.5334 c1cc(ccn1)CSC2CCCCCC2 62a_100015193705_100011217769 [0,0,0,0,1,0|2,0,0]=3 2673 B16R2.5334 c1cc(ccn1)OCC2CCCCCC2 34a_100000212176_200000696569 [0,0,0,0,1,0|2,0,0]=3 2674 B16R2.5334 c1cc(ccn1)SCC2CCCCCC2 62a_100000728582_200000696569 [0,0,0,0,1,0|2,0,0]=3 2675 B16R2.5334 c1cc(ccn1)SCC2CCCCCC2 62a_200000696569_100000728582 [0,0,0,0,1,0|2,0,0]=3 2676 B16R2.5334 c1cc(cnn1)CNC2CCCCCC2 270004a_100000210984_100011934578 [0,0,0,0,1,0|2,0,0]=3 2677 B16R2.5334 c1cc(cnn1)OCC2CCCCCC2 34a_100015204005_200000696569 [0,0,0,0,1,0|3,0,0]=4 2678 B16R2.5334 c1cc(cnn1)SCC2CCCCCC2 62a_100000732662_200000696569 [0,0,0,0,1,0|3,0,0]=4 2679 B16R2.5334 c1cc(cnn1)SCC2CCCCCC2 62a_200000696569_100000732662 [0,0,0,0,1,0|3,0,0]=4 2680 B16R2.5334 c1cc(ncn1)NCC2CCCCCC2 27a_100015204231_100000703185 [0,0,0,0,1,0|3,0,0]=4 2681 B16R2.5334 c1cc(ncn1)SCC2CCCCCC2 62a_100000703185_200000696569 [0,0,0,0,1,0|3,0,0]=4 2682 B16R2.5334 c1cc(ncn1)SCC2CCCCCC2 62a_200000696569_100000703185 [0,0,0,0,1,0|3,0,0]=4 2683 B16R2.5334 c1ccc(cc1)CCN2CCCCCC2 2230a_100000185865_100000765856 [0,0,0,0,1,0|1,0,0]=2 2684 B16R2.5334 c1ccc(cc1)CCN2CCCCCC2 269982a_100000185865_100000765856 [0,0,0,0,1,0|1,0,0]=2 2685 B16R2.5334 c1ccc(cc1)CCN2CCCCCC2 34a_100000185865_100000765856 [0,0,0,0,1,0|1,0,0]=2 2686 B16R2.5334 c1ccc(cc1)CCN2CCCOCC2 2230a_100000685342_100000765856 [0,0,0,0,1,0|2,0,0]=3 2687 B16R2.5334 c1ccc(cc1)CCN2CCCOCC2 269982a_100000685342_100000765856 [0,0,0,0,1,0|2,0,0]=3 2688 B16R2.5334 c1ccc(cc1)CCN2CCCOCC2 34a_100000685342_100000765856 [0,0,0,0,1,0|2,0,0]=3 2689 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100015611070 [0,0,0,0,1,0|0,0,0]=1 2690 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100015291786 [0,0,0,0,1,0|0,0,0]=1 2691 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 270004a_100000210984_100015611070 [0,0,0,0,1,0|0,0,0]=1 2692 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 270004a_100015324214_100000210131 [0,0,0,0,1,0|0,0,0]=1 2693 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100015291786 [0,0,0,0,1,0|0,0,0]=1 2694 B16R2.5334 c1ccc(cc1)CNC2CCCCCC2 34a_100015324214_100011217769 [0,0,0,0,1,0|0,0,0]=1 2695 B16R2.5334 c1ccc(cc1)CNC2CCCNCC2 270004a_100015324214_100015187895 [0,0,0,0,1,0|1,0,0]=2 2696 B16R2.5334 c1ccc(cc1)CNC2CSCCSC2 270004a_100015324214_100000068409 [0,0,0,0,1,0|2,0,0]=3 2697 B16R2.5334 c1ccc(cc1)COC2CCCCCC2 34a_100000210790_100011217769 [0,0,0,0,1,0|1,0,0]=2 2698 B16R2.5334 c1ccc(cc1)COC2CCCCCC2 34a_100000210887_100015291786 [0,0,0,0,1,0|1,0,0]=2 2699 B16R2.5334 c1ccc(cc1)COC2CCCCCC2 7a_100000210887_100000211182 [0,0,0,0,1,0|1,0,0]=2 2700 B16R2.5334 c1ccc(cc1)CSC2CCCCCC2 62a_100000211182_100011217769 [0,0,0,0,1,0|1,0,0]=2 2701 B16R2.5334 c1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100015291786 [0,0,0,0,1,0|1,0,0]=2 2702 B16R2.5334 c1ccc(cc1)NCC2CCCCCC2 34a_100000106764_200000696569 [0,0,0,0,1,0|1,0,0]=2 2703 B16R2.5334 c1ccc(cc1)NN=C2CCCCCC2 4a_100015195140_100000210131 [0,0,0,0,1,0|1,0,2]=4 2704 B16R2.5334 c1ccc(cc1)OCC2CCCCCC2 34a_100000210340_200000696569 [0,0,0,0,1,0|1,0,0]=2 2705 B16R2.5334 c1ccc(cc1)OCC2CCCCCC2 7a_100000210340_200000696569 [0,0,0,0,1,0|1,0,0]=2 2706 B16R2.5334 c1ccc(cc1)SCC2CCCCCC2 62a_100000719477_200000696569 [0,0,0,0,1,0|1,0,0]=2 2707 B16R2.5334 c1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000041952 [0,0,0,0,1,0|1,0,0]=2 2708 B16R2.5334 c1ccc(cc1)SCN2CCCCCC2 2230a_100000185865_100011218342 [0,0,0,0,1,0|2,0,0]=3 2709 B16R2.5334 c1ccc(cc1)SCN2CCCCCC2 269982a_100000185865_100011218342 [0,0,0,0,1,0|2,0,0]=3 2710 B16R2.5334 c1ccc(cc1)SCN2CCCOCC2 2230a_100000685342_100011218342 [0,0,0,0,1,0|3,0,0]=4 2711 B16R2.5334 c1ccc(cc1)SCN2CCCOCC2 269982a_100000685342_100011218342 [0,0,0,0,1,0|3,0,0]=4 2712 B16R2.5334 c1ccc(nc1)CCN2CCCCCC2 2230a_100000185865_100015183660 [0,0,0,0,1,0|2,0,0]=3 2713 B16R2.5334 c1ccc(nc1)CCN2CCCCCC2 269982a_100000185865_100015183660 [0,0,0,0,1,0|2,0,0]=3 2714 B16R2.5334 c1ccc(nc1)CCN2CCCOCC2 2230a_100000685342_100015183660 [0,0,0,0,1,0|3,0,0]=4 2715 B16R2.5334 c1ccc(nc1)CCN2CCCOCC2 269982a_100000685342_100015183660 [0,0,0,0,1,0|3,0,0]=4 2716 B16R2.5334 c1ccc(nc1)CNC2CCCCCC2 207a_100000210984_100000209966 [0,0,0,0,1,0|1,0,0]=2 2717 B16R2.5334 c1ccc(nc1)CNC2CCCCCC2 2230a_100000210984_100000721315 [0,0,0,0,1,0|1,0,0]=2 2718 B16R2.5334 c1ccc(nc1)CNC2CCCCCC2 270004a_100000210449_100000210131 [0,0,0,0,1,0|1,0,0]=2 2719 B16R2.5334 c1ccc(nc1)CNC2CCCCCC2 270004a_100000210984_100000209966 [0,0,0,0,1,0|1,0,0]=2 2720 B16R2.5334 c1ccc(nc1)CNC2CCCCCC2 34a_100000210984_100000721315 [0,0,0,0,1,0|1,0,0]=2 2721 B16R2.5334 c1ccc(nc1)CNC2CCCNCC2 270004a_100000210449_100015187895 [0,0,0,0,1,0|2,0,0]=3 2722 B16R2.5334 c1ccc(nc1)CNC2CSCCSC2 270004a_100000210449_100000068409 [0,0,0,0,1,0|3,0,0]=4 2723 B16R2.5334 c1ccc(nc1)COC2CCCCCC2 34a_100000210887_100000721315 [0,0,0,0,1,0|2,0,0]=3 2724 B16R2.5334 c1ccc(nc1)COC2CCCCCC2 7a_100000210887_100000721315 [0,0,0,0,1,0|2,0,0]=3 2725 B16R2.5334 c1ccc(nc1)CSC2CCCCCC2 62a_100000721315_100011217769 [0,0,0,0,1,0|2,0,0]=3 2726 B16R2.5334 c1ccc(nc1)CSC2CCCCCC2 62a_100011217769_100000721315 [0,0,0,0,1,0|2,0,0]=3 2727 B16R2.5334 c1ccc(nc1)SCC2CCCCCC2 62a_100011216584_200000696569 [0,0,0,0,1,0|2,0,0]=3 2728 B16R2.5334 c1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100011216584 [0,0,0,0,1,0|2,0,0]=3 2729 B16R2.5334 c1cnc(cn1)CNC2CCCCCC2 2230a_100000210984_100016995436 [0,0,0,0,1,0|2,0,0]=3 2730 B16R2.5334 c1cnc(cn1)CNC2CCCCCC2 270004a_100000210984_100000749867 [0,0,0,0,1,0|2,0,0]=3 2731 B16R2.5334 c1cnc(cn1)CNC2CCCCCC2 34a_100000210984_100016995436 [0,0,0,0,1,0|2,0,0]=3 2732 B16R2.5334 c1cnc(cn1)COC2CCCCCC2 34a_100000210887_100016995436 [0,0,0,0,1,0|3,0,0]=4 2733 B16R2.5334 c1cnc(cn1)COC2CCCCCC2 7a_100000210887_100016995436 [0,0,0,0,1,0|3,0,0]=4 2734 B16R2.5334 c1cnc(cn1)CSC2CCCCCC2 62a_100011217769_100016995436 [0,0,0,0,1,0|3,0,0]=4 2735 B16R2.5334 c1cnc(cn1)CSC2CCCCCC2 62a_100016995436_100011217769 [0,0,0,0,1,0|3,0,0]=4 2736 B16R2.5334 c1cnc(cn1)NCC2CCCCCC2 27a_100015204231_100000211759 [0,0,0,0,1,0|3,0,0]=4 2737 B16R2.5334 c1cnc(cn1)SCC2CCCCCC2 62a_100000211759_200000696569 [0,0,0,0,1,0|3,0,0]=4 2738 B16R2.5334 c1cnc(cn1)SCC2CCCCCC2 62a_200000696569_100000211759 [0,0,0,0,1,0|3,0,0]=4 2739 B16R2.5334 c1cnc(nc1)CNC2CCCCCC2 2230a_100000210984_100000703007 [0,0,0,0,1,0|2,0,0]=3 2740 B16R2.5334 c1cnc(nc1)CNC2CCCCCC2 270004a_100000210984_100011532527 [0,0,0,0,1,0|2,0,0]=3 2741 B16R2.5334 c1cnc(nc1)CNC2CCCCCC2 34a_100000210984_100000703007 [0,0,0,0,1,0|2,0,0]=3 2742 B16R2.5334 c1cnc(nc1)COC2CCCCCC2 34a_100000210887_100000703007 [0,0,0,0,1,0|3,0,0]=4 2743 B16R2.5334 c1cnc(nc1)COC2CCCCCC2 7a_100000210887_100000703007 [0,0,0,0,1,0|3,0,0]=4 2744 B16R2.5334 c1cnc(nc1)CSC2CCCCCC2 62a_100000703007_100011217769 [0,0,0,0,1,0|3,0,0]=4 2745 B16R2.5334 c1cnc(nc1)CSC2CCCCCC2 62a_100011217769_100000703007 [0,0,0,0,1,0|3,0,0]=4 2746 B16R2.5334 c1cnc(nc1)NCC2CCCCCC2 27a_100015204231_100000211032 [0,0,0,0,1,0|3,0,0]=4 2747 B16R2.5334 c1cnc(nc1)SCC2CCCCCC2 62a_100000211032_200000696569 [0,0,0,0,1,0|3,0,0]=4 2748 B16R2.5334 c1cnc(nc1)SCC2CCCCCC2 62a_200000696569_100000211032 [0,0,0,0,1,0|3,0,0]=4 2749 B16R2.5334 c1cncc(c1)CCN2CCCCCC2 2230a_100000185865_200011713674 [0,0,0,0,1,0|2,0,0]=3 2750 B16R2.5334 c1cncc(c1)CCN2CCCCCC2 269982a_100000185865_200011713674 [0,0,0,0,1,0|2,0,0]=3 2751 B16R2.5334 c1cncc(c1)CCN2CCCOCC2 2230a_100000685342_200011713674 [0,0,0,0,1,0|3,0,0]=4 2752 B16R2.5334 c1cncc(c1)CCN2CCCOCC2 269982a_100000685342_200011713674 [0,0,0,0,1,0|3,0,0]=4 2753 B16R2.5334 c1cncc(c1)CNC2CCCCCC2 207a_100000210984_100000209961 [0,0,0,0,1,0|1,0,0]=2 2754 B16R2.5334 c1cncc(c1)CNC2CCCCCC2 2230a_100000210984_100000741622 [0,0,0,0,1,0|1,0,0]=2 2755 B16R2.5334 c1cncc(c1)CNC2CCCCCC2 270004a_100000210453_100000210131 [0,0,0,0,1,0|1,0,0]=2 2756 B16R2.5334 c1cncc(c1)CNC2CCCCCC2 270004a_100000210984_100000209961 [0,0,0,0,1,0|1,0,0]=2 2757 B16R2.5334 c1cncc(c1)CNC2CCCCCC2 34a_100000210984_100000733263 [0,0,0,0,1,0|1,0,0]=2 2758 B16R2.5334 c1cncc(c1)CNC2CCCNCC2 270004a_100000210453_100015187895 [0,0,0,0,1,0|2,0,0]=3 2759 B16R2.5334 c1cncc(c1)CNC2CSCCSC2 270004a_100000210453_100000068409 [0,0,0,0,1,0|3,0,0]=4 2760 B16R2.5334 c1cncc(c1)COC2CCCCCC2 34a_100000210887_100000733263 [0,0,0,0,1,0|2,0,0]=3 2761 B16R2.5334 c1cncc(c1)COC2CCCCCC2 7a_100000210887_100000741622 [0,0,0,0,1,0|2,0,0]=3 2762 B16R2.5334 c1cncc(c1)CSC2CCCCCC2 62a_100000741622_100011217769 [0,0,0,0,1,0|2,0,0]=3 2763 B16R2.5334 c1cncc(c1)CSC2CCCCCC2 62a_100011217769_100000741622 [0,0,0,0,1,0|2,0,0]=3 2764 B16R2.5334 c1cncc(c1)OCC2CCCCCC2 34a_100000210849_200000696569 [0,0,0,0,1,0|2,0,0]=3 2765 B16R2.5334 c1cncc(c1)OCC2CCCCCC2 7a_100000210849_200000696569 [0,0,0,0,1,0|2,0,0]=3 2766 B16R2.5334 c1cncc(c1)SCC2CCCCCC2 62a_100000210063_200000696569 [0,0,0,0,1,0|2,0,0]=3 2767 B16R2.5334 c1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000210063 [0,0,0,0,1,0|2,0,0]=3 2768 B16R2.5334 c1cnnc(c1)CNC2CCCCCC2 2230a_100000210984_100016990269 [0,0,0,0,1,0|2,0,0]=3 2769 B16R2.5334 c1cnnc(c1)CNC2CCCCCC2 34a_100000210984_100016990269 [0,0,0,0,1,0|2,0,0]=3 2770 B16R2.5334 c1cnnc(c1)COC2CCCCCC2 34a_100000210887_100016990269 [0,0,0,0,1,0|3,0,0]=4 2771 B16R2.5334 c1cnnc(c1)COC2CCCCCC2 7a_100000210887_100016990269 [0,0,0,0,1,0|3,0,0]=4 2772 B16R2.5334 c1cnnc(c1)CSC2CCCCCC2 62a_100011217769_100016990269 [0,0,0,0,1,0|3,0,0]=4 2773 B16R2.5334 c1cnnc(c1)CSC2CCCCCC2 62a_100016990269_100011217769 [0,0,0,0,1,0|3,0,0]=4 2774 B16R2.5334 c1cnnc(c1)NCC2CCCCCC2 27a_100015204231_100016991348 [0,0,0,0,1,0|3,0,0]=4 2775 B16R2.5334 c1cnnc(c1)SCC2CCCCCC2 62a_100016991348_200000696569 [0,0,0,0,1,0|3,0,0]=4 2776 B16R2.5334 c1cnnc(c1)SCC2CCCCCC2 62a_200000696569_100016991348 [0,0,0,0,1,0|3,0,0]=4 2777 B16R2.5334 c1ncc(cn1)CNC2CCCCCC2 2230a_100000210984_100015196519 [0,0,0,0,1,0|2,0,0]=3 2778 B16R2.5334 c1ncc(cn1)CNC2CCCCCC2 270004a_100000210984_100000749868 [0,0,0,0,1,0|2,0,0]=3 2779 B16R2.5334 c1ncc(cn1)CNC2CCCCCC2 270004a_100011243677_100000210131 [0,0,0,0,1,0|2,0,0]=3 2780 B16R2.5334 c1ncc(cn1)CNC2CCCCCC2 34a_100000210984_100015196519 [0,0,0,0,1,0|2,0,0]=3 2781 B16R2.5334 c1ncc(cn1)CNC2CCCNCC2 270004a_100011243677_100015187895 [0,0,0,0,1,0|3,0,0]=4 2782 B16R2.5334 c1ncc(cn1)COC2CCCCCC2 34a_100000210887_100015196519 [0,0,0,0,1,0|3,0,0]=4 2783 B16R2.5334 c1ncc(cn1)COC2CCCCCC2 7a_100000210887_100015196519 [0,0,0,0,1,0|3,0,0]=4 2784 B16R2.5334 c1ncc(cn1)CSC2CCCCCC2 62a_100011217769_100015196519 [0,0,0,0,1,0|3,0,0]=4 2785 B16R2.5334 c1ncc(cn1)CSC2CCCCCC2 62a_100015196519_100011217769 [0,0,0,0,1,0|3,0,0]=4 2786 B16R2.5334 c1ncc(cn1)OCC2CCCCCC2 7a_100000754086_200000696569 [0,0,0,0,1,0|3,0,0]=4 2787 B16R2.5334 c1ncc(cn1)SCC2CCCCCC2 62a_100011206942_200000696569 [0,0,0,0,1,0|3,0,0]=4 2788 B16R2.5334 c1ncc(cn1)SCC2CCCCCC2 62a_200000696569_100011206942 [0,0,0,0,1,0|3,0,0]=4 2789 B16R2.5335 c1c[n+](cs1)CCOC2CCCCCC2 34a_200000100414_100011217769 [0,0,0,0,1,0|3,0,0]=4 2790 B16R2.5335 c1c[nH]c(n1)CCNC2CCCCCC2 270004a_100000754300_100000210131 [0,0,0,0,1,0|2,0,0]=3 2791 B16R2.5335 c1c[nH]c(n1)CCNC2CCCNCC2 270004a_100000754300_100015187895 [0,0,0,0,1,0|3,0,0]=4 2792 B16R2.5335 c1c[nH]c(n1)CCOC2CCCCCC2 34a_103549771195_100011217769 [0,0,0,0,1,0|3,0,0]=4 2793 B16R2.5335 c1cc(co1)CNCC2CCCCCC2 207a_100015204231_100011215517 [0,0,0,0,1,0|3,0,0]=4 2794 B16R2.5335 c1cc(co1)CNCC2CCCCCC2 2230a_100015206860_200000696569 [0,0,0,0,1,0|3,0,0]=4 2795 B16R2.5335 c1cc(co1)CNCC2CCCCCC2 269862a_100015206860_200000763224 [0,0,0,0,1,0|3,0,0]=4 2796 B16R2.5335 c1cc(co1)CNCC2CCCCCC2 270004a_100015204231_100011215517 [0,0,0,0,1,0|3,0,0]=4 2797 B16R2.5335 c1cc(co1)CNCC2CCCCCC2 34a_100015206860_200000696569 [0,0,0,0,1,0|3,0,0]=4 2798 B16R2.5335 c1cc(co1)COCC2CCCCCC2 34a_100011215357_200000696569 [0,0,0,0,1,0|3,0,0]=4 2799 B16R2.5335 c1cc(cs1)CCNC2CCCCCC2 270004a_100000692642_100000210131 [0,0,0,0,1,0|1,0,0]=2 2800 B16R2.5335 c1cc(cs1)CCNC2CCCCCC2 34a_100000692642_100011217769 [0,0,0,0,1,0|1,0,0]=2 2801 B16R2.5335 c1cc(cs1)CCNC2CCCNCC2 270004a_100000692642_100015187895 [0,0,0,0,1,0|2,0,0]=3 2802 B16R2.5335 c1cc(cs1)CCNC2CSCCSC2 270004a_100000692642_100000068409 [0,0,0,0,1,0|3,0,0]=4 2803 B16R2.5335 c1cc(cs1)CCOC2CCCCCC2 34a_100000748821_100011217769 [0,0,0,0,1,0|2,0,0]=3 2804 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 207a_100015204231_100000188534 [0,0,0,0,1,0|3,0,0]=4 2805 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 2230a_100000186416_200000696569 [0,0,0,0,1,0|3,0,0]=4 2806 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 2230a_100015204231_100011261437 [0,0,0,0,1,0|3,0,0]=4 2807 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 269862a_100000186416_200000763224 [0,0,0,0,1,0|3,0,0]=4 2808 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 270004a_100015204231_100000188534 [0,0,0,0,1,0|3,0,0]=4 2809 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 34a_100000186416_200000696569 [0,0,0,0,1,0|3,0,0]=4 2810 B16R2.5335 c1cc(cs1)CNCC2CCCCCC2 34a_100015204231_100011261437 [0,0,0,0,1,0|3,0,0]=4 2811 B16R2.5335 c1cc(cs1)COCC2CCCCCC2 34a_100000699130_100011261437 [0,0,0,0,1,0|3,0,0]=4 2812 B16R2.5335 c1cc(cs1)COCC2CCCCCC2 34a_100011215551_200000696569 [0,0,0,0,1,0|3,0,0]=4 2813 B16R2.5335 c1cc(cs1)COCC2CCCCCC2 7a_100000699130_100011261437 [0,0,0,0,1,0|3,0,0]=4 2814 B16R2.5335 c1cc(cs1)CSCC2CCCCCC2 62a_100011261437_200000696569 [0,0,0,0,1,0|3,0,0]=4 2815 B16R2.5335 c1cc(cs1)CSCC2CCCCCC2 62a_200000696569_100011233845 [0,0,0,0,1,0|3,0,0]=4 2816 B16R2.5335 c1ccn(c1)CCCN2CCCCCC2 2230a_100000185865_200009814367 [0,0,0,0,1,0|3,0,0]=4 2817 B16R2.5335 c1ccn(c1)CCCN2CCCCCC2 269982a_100000185865_200009814367 [0,0,0,0,1,0|3,0,0]=4 2818 B16R2.5335 c1ccn(c1)CCCN2CCCCCC2 34a_100000185865_200009814367 [0,0,0,0,1,0|3,0,0]=4 2819 B16R2.5335 c1ccn(c1)CCNC2CCCCCC2 2230a_100000210984_200009811947 [0,0,0,0,1,0|1,0,0]=2 2820 B16R2.5335 c1ccn(c1)CCNC2CCCCCC2 270004a_100011368172_100000210131 [0,0,0,0,1,0|1,0,0]=2 2821 B16R2.5335 c1ccn(c1)CCNC2CCCCCC2 34a_100011368172_100011217769 [0,0,0,0,1,0|1,0,0]=2 2822 B16R2.5335 c1ccn(c1)CCNC2CCCNCC2 270004a_100011368172_100015187895 [0,0,0,0,1,0|2,0,0]=3 2823 B16R2.5335 c1ccn(c1)CCNC2CSCCSC2 270004a_100011368172_100000068409 [0,0,0,0,1,0|3,0,0]=4 2824 B16R2.5335 c1ccn(c1)CCOC2CCCCCC2 34a_100000179382_100011217769 [0,0,0,0,1,0|2,0,0]=3 2825 B16R2.5335 c1ccn(c1)CCOC2CCCCCC2 7a_100000210887_200000035178 [0,0,0,0,1,0|2,0,0]=3 2826 B16R2.5335 c1ccn(c1)CCSC2CCCCCC2 62a_100011217769_200000035178 [0,0,0,0,1,0|2,0,0]=3 2827 B16R2.5335 c1ccn(c1)CCSC2CCCCCC2 62a_200009811947_100011217769 [0,0,0,0,1,0|2,0,0]=3 2828 B16R2.5335 c1cn(cn1)CCNC2CCCCCC2 270004a_100000230061_100000210131 [0,0,0,0,1,0|2,0,0]=3 2829 B16R2.5335 c1cn(cn1)CCNC2CCCNCC2 270004a_100000230061_100015187895 [0,0,0,0,1,0|3,0,0]=4 2830 B16R2.5335 c1cn(cn1)CCOC2CCCCCC2 34a_100000719764_100011217769 [0,0,0,0,1,0|3,0,0]=4 2831 B16R2.5335 c1cn(cn1)CCOC2CCCCCC2 7a_100000210887_100000702546 [0,0,0,0,1,0|3,0,0]=4 2832 B16R2.5335 c1cn(cn1)CCSC2CCCCCC2 62a_100000702546_100011217769 [0,0,0,0,1,0|3,0,0]=4 2833 B16R2.5335 c1cn(cn1)CCSC2CCCCCC2 62a_100011217769_100000702546 [0,0,0,0,1,0|3,0,0]=4 2834 B16R2.5335 c1cnn(c1)CCNC2CCCCCC2 2230a_100000210984_100000685285 [0,0,0,0,1,0|2,0,0]=3 2835 B16R2.5335 c1cnn(c1)CCNC2CCCCCC2 270004a_100011200920_100000210131 [0,0,0,0,1,0|2,0,0]=3 2836 B16R2.5335 c1cnn(c1)CCNC2CCCCCC2 34a_100000210984_100015204718 [0,0,0,0,1,0|2,0,0]=3 2837 B16R2.5335 c1cnn(c1)CCNC2CCCNCC2 270004a_100011200920_100015187895 [0,0,0,0,1,0|3,0,0]=4 2838 B16R2.5335 c1cnn(c1)CCOC2CCCCCC2 34a_100000210887_100015204718 [0,0,0,0,1,0|3,0,0]=4 2839 B16R2.5335 c1cnn(c1)CCOC2CCCCCC2 34a_100000743371_100011217769 [0,0,0,0,1,0|3,0,0]=4 2840 B16R2.5335 c1cnn(c1)CCOC2CCCCCC2 7a_100000210887_100000685285 [0,0,0,0,1,0|3,0,0]=4 2841 B16R2.5335 c1cnn(c1)CCSC2CCCCCC2 62a_100011217769_100000685285 [0,0,0,0,1,0|3,0,0]=4 2842 B16R2.5335 c1cnn(c1)CCSC2CCCCCC2 62a_100015204718_100011217769 [0,0,0,0,1,0|3,0,0]=4 2843 B16R2.5335 c1coc(c1)CCNC2CCCCCC2 270004a_100000694680_100000210131 [0,0,0,0,1,0|1,0,0]=2 2844 B16R2.5335 c1coc(c1)CCNC2CCCCCC2 34a_100000694680_100011217769 [0,0,0,0,1,0|1,0,0]=2 2845 B16R2.5335 c1coc(c1)CCNC2CCCNCC2 270004a_100000694680_100015187895 [0,0,0,0,1,0|2,0,0]=3 2846 B16R2.5335 c1coc(c1)CCNC2CSCCSC2 270004a_100000694680_100000068409 [0,0,0,0,1,0|3,0,0]=4 2847 B16R2.5335 c1coc(c1)CNCC2CCCCCC2 207a_100015204231_100000186105 [0,0,0,0,1,0|3,0,0]=4 2848 B16R2.5335 c1coc(c1)CNCC2CCCCCC2 2230a_100000185738_200000696569 [0,0,0,0,1,0|3,0,0]=4 2849 B16R2.5335 c1coc(c1)CNCC2CCCCCC2 270004a_100015204231_100000186105 [0,0,0,0,1,0|3,0,0]=4 2850 B16R2.5335 c1coc(c1)CNCC2CCCCCC2 34a_100000185738_200000696569 [0,0,0,0,1,0|3,0,0]=4 2851 B16R2.5335 c1coc(c1)COCC2CCCCCC2 34a_100000210059_200000696569 [0,0,0,0,1,0|3,0,0]=4 2852 B16R2.5335 c1csc(c1)CCCN2CCCCCC2 2230a_100000185865_100010992444 [0,0,0,0,1,0|3,0,0]=4 2853 B16R2.5335 c1csc(c1)CCCN2CCCCCC2 269982a_100000185865_100010992444 [0,0,0,0,1,0|3,0,0]=4 2854 B16R2.5335 c1csc(c1)CCCN2CCCCCC2 34a_100000185865_100010992444 [0,0,0,0,1,0|3,0,0]=4 2855 B16R2.5335 c1csc(c1)CCNC2CCCCCC2 2230a_100000210984_100000748579 [0,0,0,0,1,0|1,0,0]=2 2856 B16R2.5335 c1csc(c1)CCNC2CCCCCC2 270004a_100000203755_100000210131 [0,0,0,0,1,0|1,0,0]=2 2857 B16R2.5335 c1csc(c1)CCNC2CCCCCC2 34a_100000203755_100011217769 [0,0,0,0,1,0|1,0,0]=2 2858 B16R2.5335 c1csc(c1)CCNC2CCCCCC2 34a_100000210984_100000748579 [0,0,0,0,1,0|1,0,0]=2 2859 B16R2.5335 c1csc(c1)CCNC2CCCNCC2 270004a_100000203755_100015187895 [0,0,0,0,1,0|2,0,0]=3 2860 B16R2.5335 c1csc(c1)CCNC2CSCCSC2 270004a_100000203755_100000068409 [0,0,0,0,1,0|3,0,0]=4 2861 B16R2.5335 c1csc(c1)CCOC2CCCCCC2 34a_100000210887_100000748579 [0,0,0,0,1,0|2,0,0]=3 2862 B16R2.5335 c1csc(c1)CCOC2CCCCCC2 34a_100011216825_100011217769 [0,0,0,0,1,0|2,0,0]=3 2863 B16R2.5335 c1csc(c1)CCOC2CCCCCC2 7a_100000210887_100000748579 [0,0,0,0,1,0|2,0,0]=3 2864 B16R2.5335 c1csc(c1)CCSC2CCCCCC2 62a_100000748579_100011217769 [0,0,0,0,1,0|2,0,0]=3 2865 B16R2.5335 c1csc(c1)CCSC2CCCCCC2 62a_100011217769_100000748579 [0,0,0,0,1,0|2,0,0]=3 2866 B16R2.5335 c1csc(c1)CNCC2CCCCCC2 207a_100015204231_100000209959 [0,0,0,0,1,0|3,0,0]=4 2867 B16R2.5335 c1csc(c1)CNCC2CCCCCC2 2230a_100000211653_200000696569 [0,0,0,0,1,0|3,0,0]=4 2868 B16R2.5335 c1csc(c1)CNCC2CCCCCC2 269862a_100000211653_200000763224 [0,0,0,0,1,0|3,0,0]=4 2869 B16R2.5335 c1csc(c1)CNCC2CCCCCC2 270004a_100015204231_100000209959 [0,0,0,0,1,0|3,0,0]=4 2870 B16R2.5335 c1csc(c1)COCC2CCCCCC2 34a_100000211240_200000696569 [0,0,0,0,1,0|3,0,0]=4 2871 B16R2.5335 c1csc(n1)CCNC2CCCCCC2 270004a_100015186391_100000210131 [0,0,0,0,1,0|2,0,0]=3 2872 B16R2.5335 c1csc(n1)CCNC2CCCNCC2 270004a_100015186391_100015187895 [0,0,0,0,1,0|3,0,0]=4 2873 B16R2.5335 c1n[nH]cc1CCNC2CCCCCC2 2230a_100000210984_100000743252 [0,0,0,0,1,0|2,0,0]=3 2874 B16R2.5335 c1n[nH]cc1CCNC2CCCCCC2 270004a_100000732747_100000210131 [0,0,0,0,1,0|2,0,0]=3 2875 B16R2.5335 c1n[nH]cc1CCNC2CCCNCC2 270004a_100000732747_100015187895 [0,0,0,0,1,0|3,0,0]=4 2876 B16R2.5335 c1n[nH]cc1CCOC2CCCCCC2 34a_100000766553_100011217769 [0,0,0,0,1,0|3,0,0]=4 2877 B16R2.5335 c1n[nH]cc1CCOC2CCCCCC2 7a_100000210887_100000743252 [0,0,0,0,1,0|3,0,0]=4 2878 B16R2.5335 c1n[nH]cc1CCSC2CCCCCC2 62a_100000743252_100011217769 [0,0,0,0,1,0|3,0,0]=4 2879 B16R2.5335 c1n[nH]cc1CCSC2CCCCCC2 62a_100011217769_100000743252 [0,0,0,0,1,0|3,0,0]=4 2880 B16R2.5335 c1nc(c[nH]1)CCNC2CCCCCC2 2230a_100000210984_100020628418 [0,0,0,0,1,0|2,0,0]=3 2881 B16R2.5335 c1nc(c[nH]1)CCNC2CCCCCC2 270004a_100000755092_100000210131 [0,0,0,0,1,0|2,0,0]=3 2882 B16R2.5335 c1nc(c[nH]1)CCNC2CCCNCC2 270004a_100000755092_100015187895 [0,0,0,0,1,0|3,0,0]=4 2883 B16R2.5335 c1nc(c[nH]1)CCOC2CCCCCC2 7a_100000210887_100020628418 [0,0,0,0,1,0|3,0,0]=4 2884 B16R2.5335 c1nc(c[nH]1)CCSC2CCCCCC2 62a_100011217769_100020628418 [0,0,0,0,1,0|3,0,0]=4 2885 B16R2.5335 c1nc(c[nH]1)CCSC2CCCCCC2 62a_100020628418_100011217769 [0,0,0,0,1,0|3,0,0]=4 2886 B16R2.5335 c1ncc(s1)CCNC2CCCCCC2 270004a_100016991637_100000210131 [0,0,0,0,1,0|2,0,0]=3 2887 B16R2.5335 c1ncc(s1)CCNC2CCCNCC2 270004a_100016991637_100015187895 [0,0,0,0,1,0|3,0,0]=4 2888 B16R2.5335 c1ncn(n1)CCNC2CCCCCC2 2230a_100000210984_100000731791 [0,0,0,0,1,0|3,0,0]=4 2889 B16R2.5335 c1ncn(n1)CCNC2CCCCCC2 270004a_200000738561_100000210131 [0,0,0,0,1,0|3,0,0]=4 2890 B16R2.5335 c1ncn(n1)CCNC2CCCCCC2 34a_100000210984_200000749826 [0,0,0,0,1,0|3,0,0]=4 2891 B16R2.5335 c1nocc1CCOC2CCCCCC2 34a_100000732699_100011217769 [0,0,0,0,1,0|3,0,0]=4 2892 B18R2.126804 C(=NNc1ccccc1)C2CCCCCCC2 4a_100015195140_100000765718 [0,0,0,0,0,1|3,0,0]=4 2893 B18R2.126804 C1=CC(CCCCC1)OCCc2ccccc2 34a_100000688657_100000765856 [0,0,0,0,0,1|1,0,1]=3 2894 B18R2.126804 C\1=C\CCC(CCC1)CNCc2ccccc2 207a_100102730862_100015611070 [0,0,0,0,0,1|2,0,1]=4 2895 B18R2.126804 C\1=C\CCC(CCC1)CNCc2ccccc2 2230a_100102730862_100015291786 [0,0,0,0,0,1|2,0,1]=4 2896 B18R2.126804 C\1=C\CCC(CCC1)CNCc2ccccc2 270004a_100102730862_100015611070 [0,0,0,0,0,1|2,0,1]=4 2897 B18R2.126804 C\1=C\CCC(CCC1)CNCc2ccccc2 34a_100102730862_100015291786 [0,0,0,0,0,1|2,0,1]=4 2898 B18R2.126804 C\1=C\CCC(CCC1)NCCc2ccccc2 34a_100000106460_100021000466 [0,0,0,0,0,1|0,0,1]=2 2899 B18R2.126804 C\1=C\CCC(CCC1)OCCc2ccccc2 34a_100000210268_100021000466 [0,0,0,0,0,1|1,0,1]=3 2900 B18R2.126804 C\1=C\CCC(CCC1)OCCc2ccccc2 34a_100016989180_100000765856 [0,0,0,0,0,1|1,0,1]=3 2901 B18R2.126804 C\1=C\CCC(CCC1)OCCc2ccccc2 7a_100000210268_100021000466 [0,0,0,0,0,1|1,0,1]=3 2902 B18R2.126804 C\1=C\CCC(CCC1)OCCc2ccccn2 34a_100000210271_100021000466 [0,0,0,0,0,1|2,0,1]=4 2903 B18R2.126804 C\1=C\CCC(CCC1)OCCc2cccnc2 34a_100011217484_100021000466 [0,0,0,0,0,1|2,0,1]=4 2904 B18R2.126804 C\1=C\CCC(CCC1)OCCc2ccncc2 34a_100011216225_100021000466 [0,0,0,0,0,1|2,0,1]=4 2905 B18R2.126804 C\1=C\CCC(CCC1)SCCc2ccccc2 62a_100000765856_100021000466 [0,0,0,0,0,1|1,0,1]=3 2906 B18R2.126804 C\1=C\CCC(CCC1)SCCc2ccccc2 62a_100021000466_100011218657 [0,0,0,0,0,1|1,0,1]=3 2907 B18R2.126804 C\1=C\CCC(CCC1)SCCc2ccccn2 62a_100015183660_100021000466 [0,0,0,0,0,1|2,0,1]=4 2908 B18R2.126804 C\1=C\CCC(CCC1)SCCc2ccccn2 62a_100021000466_100015183660 [0,0,0,0,0,1|2,0,1]=4 2909 B18R2.126804 C\1=C\CCC(CCC1)SCCc2cccnc2 62a_100021000466_200011713674 [0,0,0,0,0,1|2,0,1]=4 2910 B18R2.126804 C\1=C\CCC(CCC1)SCCc2cccnc2 62a_200011713674_100021000466 [0,0,0,0,0,1|2,0,1]=4 2911 B18R2.126804 C\1=C\CCC(CCC1)SCCc2ccncc2 62a_100000723409_100021000466 [0,0,0,0,0,1|2,0,1]=4 2912 B18R2.126804 C\1=C\CCC(CCC1)SCCc2ccncc2 62a_100021000466_100000723409 [0,0,0,0,0,1|2,0,1]=4 2913 B18R2.126804 C\1=C\CCC(CCC1)SCSc2ccccc2 62a_100011218342_100021000466 [0,0,0,0,0,1|2,0,1]=4 2914 B18R2.126804 C\1=C\CCC(CCC1)SCSc2ccccc2 62a_100021000466_100011218342 [0,0,0,0,0,1|2,0,1]=4 2915 B18R2.126804 c1cc(ccn1)CCNC2CCCCCCC2 2230a_100000211152_100000723409 [0,0,0,0,0,1|1,0,0]=2 2916 B18R2.126804 c1cc(ccn1)CCNC2CCCCCCC2 270004a_100000742849_100000210524 [0,0,0,0,0,1|1,0,0]=2 2917 B18R2.126804 c1cc(ccn1)CCOC2CCCCCCC2 7a_100000210054_100000723409 [0,0,0,0,0,1|2,0,0]=3 2918 B18R2.126804 c1cc(ccn1)COCC2CCCCCCC2 7a_100011216312_100015193705 [0,0,0,0,0,1|3,0,0]=4 2919 B18R2.126804 c1ccc(cc1)CCCN2CCCCCCC2 2230a_100000211400_100000211621 [0,0,0,0,0,1|2,0,0]=3 2920 B18R2.126804 c1ccc(cc1)CCCN2CCCCCCC2 269982a_100000211400_100000211621 [0,0,0,0,0,1|2,0,0]=3 2921 B18R2.126804 c1ccc(cc1)CCCN2CCCCCCC2 34a_100000211400_100000211621 [0,0,0,0,0,1|2,0,0]=3 2922 B18R2.126804 c1ccc(cc1)CCNC2CCCCCCC2 2230a_100000211152_100000765856 [0,0,0,0,0,1|0,0,0]=1 2923 B18R2.126804 c1ccc(cc1)CCNC2CCCCCCC2 270004a_100000106460_100000210524 [0,0,0,0,0,1|0,0,0]=1 2924 B18R2.126804 c1ccc(cc1)CCNC2CCCCCCC2 34a_100000211152_100000765856 [0,0,0,0,0,1|0,0,0]=1 2925 B18R2.126804 c1ccc(cc1)CCOC2CCCCCCC2 34a_100000210054_100000765856 [0,0,0,0,0,1|1,0,0]=2 2926 B18R2.126804 c1ccc(cc1)CCOC2CCCCCCC2 7a_100000210054_100000765856 [0,0,0,0,0,1|1,0,0]=2 2927 B18R2.126804 c1ccc(cc1)CNN=C2CCCCCCC2 4a_100000007032_100000210524 [0,0,0,0,0,1|1,0,2]=4 2928 B18R2.126804 c1ccc(cc1)COCC2CCCCCCC2 34a_100011216312_100015291786 [0,0,0,0,0,1|2,0,0]=3 2929 B18R2.126804 c1ccc(cc1)COCC2CCCCCCC2 7a_100011216312_100000211182 [0,0,0,0,0,1|2,0,0]=3 2930 B18R2.126804 c1ccc(cc1)COCN2CCCCCCC2 2230a_100000211400_100000763385 [0,0,0,0,0,1|3,0,0]=4 2931 B18R2.126804 c1ccc(cc1)COCN2CCCCCCC2 34a_100000211400_100000763385 [0,0,0,0,0,1|3,0,0]=4 2932 B18R2.126804 c1ccc(cc1)CSCN2CCCCCCC2 2230a_100000211400_200011217039 [0,0,0,0,0,1|3,0,0]=4 2933 B18R2.126804 c1ccc(cc1)CSCN2CCCCCCC2 269982a_100000211400_200011217039 [0,0,0,0,0,1|3,0,0]=4 2934 B18R2.126804 c1ccc(cc1)CSCN2CCCCCCC2 34a_100000211400_200011217039 [0,0,0,0,0,1|3,0,0]=4 2935 B18R2.126804 c1ccc(cc1)OCCN2CCCCCCC2 2230a_100000211400_100000184471 [0,0,0,0,0,1|3,0,0]=4 2936 B18R2.126804 c1ccc(cc1)OCCN2CCCCCCC2 269982a_100000211400_100000184471 [0,0,0,0,0,1|3,0,0]=4 2937 B18R2.126804 c1ccc(cc1)OCCN2CCCCCCC2 270004a_100000211400_100000758736 [0,0,0,0,0,1|3,0,0]=4 2938 B18R2.126804 c1ccc(cc1)OCCN2CCCCCCC2 34a_100000211400_100000184471 [0,0,0,0,0,1|3,0,0]=4 2939 B18R2.126804 c1ccc(cc1)SCCN2CCCCCCC2 2230a_100000211400_100000246102 [0,0,0,0,0,1|3,0,0]=4 2940 B18R2.126804 c1ccc(cc1)SCCN2CCCCCCC2 269982a_100000211400_100000246102 [0,0,0,0,0,1|3,0,0]=4 2941 B18R2.126804 c1ccc(cc1)SCCN2CCCCCCC2 34a_100000211400_100000246102 [0,0,0,0,0,1|3,0,0]=4 2942 B18R2.126804 c1ccc(cc1)SCNC2CCCCCCC2 2230a_100000211152_100011218342 [0,0,0,0,0,1|1,0,0]=2 2943 B18R2.126804 c1ccc(nc1)CCNC2CCCCCCC2 2230a_100000211152_100015183660 [0,0,0,0,0,1|1,0,0]=2 2944 B18R2.126804 c1ccc(nc1)CCNC2CCCCCCC2 270004a_100000211156_100000210524 [0,0,0,0,0,1|1,0,0]=2 2945 B18R2.126804 c1ccc(nc1)CCOC2CCCCCCC2 7a_100000210054_100015183660 [0,0,0,0,0,1|2,0,0]=3 2946 B18R2.126804 c1ccc(nc1)COCC2CCCCCCC2 34a_100011216312_100000721315 [0,0,0,0,0,1|3,0,0]=4 2947 B18R2.126804 c1ccc(nc1)COCC2CCCCCCC2 7a_100011216312_100000721315 [0,0,0,0,0,1|3,0,0]=4 2948 B18R2.126804 c1cnc(cn1)CCNC2CCCCCCC2 270004a_100000723456_100000210524 [0,0,0,0,0,1|2,0,0]=3 2949 B18R2.126804 c1cncc(c1)CCNC2CCCCCCC2 2230a_100000211152_200011713674 [0,0,0,0,0,1|1,0,0]=2 2950 B18R2.126804 c1cncc(c1)CCNC2CCCCCCC2 270004a_100000736294_100000210524 [0,0,0,0,0,1|1,0,0]=2 2951 B18R2.126804 c1cncc(c1)CCOC2CCCCCCC2 7a_100000210054_200011713674 [0,0,0,0,0,1|2,0,0]=3 2952 B18R2.126804 c1cncc(c1)COCC2CCCCCCC2 34a_100011216312_100000733263 [0,0,0,0,0,1|3,0,0]=4 2953 B18R2.126804 c1cncc(c1)COCC2CCCCCCC2 7a_100011216312_100000741622 [0,0,0,0,0,1|3,0,0]=4 2954 B18R2.126806 C(#Cc1ccccc1)CNC2CCCCCC2 2230a_100000210984_100011352542 [0,0,0,0,0,1|0,0,1]=2 2955 B18R2.126806 C(#Cc1ccccc1)CNC2CCCCCC2 34a_100000210984_100011352542 [0,0,0,0,0,1|0,0,1]=2 2956 B18R2.126806 C(#Cc1ccccc1)CNC2CCCCCC2 34a_100000735379_100011217769 [0,0,0,0,0,1|0,0,1]=2 2957 B18R2.126806 C(#Cc1ccccc1)COC2CCCCCC2 34a_100000210887_100011352542 [0,0,0,0,0,1|1,0,1]=3 2958 B18R2.126806 C(#Cc1ccccc1)COC2CCCCCC2 34a_100011217464_100011217769 [0,0,0,0,0,1|1,0,1]=3 2959 B18R2.126806 C(#Cc1ccccc1)COC2CCCCCC2 7a_100000210887_100011352542 [0,0,0,0,0,1|1,0,1]=3 2960 B18R2.126806 C(#Cc1ccccc1)CSC2CCCCCC2 62a_100011217769_100011352542 [0,0,0,0,0,1|1,0,1]=3 2961 B18R2.126806 C(#Cc1ccccn1)COC2CCCCCC2 34a_100011894333_100011217769 [0,0,0,0,0,1|2,0,1]=4 2962 B18R2.126806 C(#Cc1cccnc1)COC2CCCCCC2 34a_100011376247_100011217769 [0,0,0,0,0,1|2,0,1]=4 2963 B18R2.126806 C(#Cc1ccncc1)COC2CCCCCC2 34a_100011894393_100011217769 [0,0,0,0,0,1|2,0,1]=4 2964 B18R2.126806 C(=C/c1ccccc1)\CNC2CCCCCC2 2230a_100000210984_100016265936 [0,0,0,0,0,1|0,0,1]=2 2965 B18R2.126806 C(=C/c1ccccc1)\CNC2CCCCCC2 270004a_100020603302_100000210131 [0,0,0,0,0,1|0,0,1]=2 2966 B18R2.126806 C(=C/c1ccccc1)\CNC2CCCCCC2 34a_100000210984_100016265936 [0,0,0,0,0,1|0,0,1]=2 2967 B18R2.126806 C(=C/c1ccccc1)\CNC2CCCCCC2 34a_100020603302_100011217769 [0,0,0,0,0,1|0,0,1]=2 2968 B18R2.126806 C(=C/c1ccccc1)\CNC2CCCNCC2 270004a_100020603302_100015187895 [0,0,0,0,0,1|1,0,1]=3 2969 B18R2.126806 C(=C/c1ccccc1)\CNC2CSCCSC2 270004a_100020603302_100000068409 [0,0,0,0,0,1|2,0,1]=4 2970 B18R2.126806 C(=C/c1ccccc1)\COC2CCCCCC2 34a_100000210256_100011217769 [0,0,0,0,0,1|1,0,1]=3 2971 B18R2.126806 C(=C/c1ccccc1)\COC2CCCCCC2 34a_100000210887_100016265936 [0,0,0,0,0,1|1,0,1]=3 2972 B18R2.126806 C(=C/c1ccccc1)\COC2CCCCCC2 7a_100000210887_100016265936 [0,0,0,0,0,1|1,0,1]=3 2973 B18R2.126806 C(=C/c1ccccc1)\CSC2CCCCCC2 62a_100011217769_100016265936 [0,0,0,0,0,1|1,0,1]=3 2974 B18R2.126806 C(=C/c1ccccc1)\CSC2CCCCCC2 62a_100016265936_100011217769 [0,0,0,0,0,1|1,0,1]=3 2975 B18R2.126806 C(=C/c1cccnc1)\COC2CCCCCC2 34a_200102594124_100011217769 [0,0,0,0,0,1|2,0,1]=4 2976 B18R2.126806 C(=Cc1ccccc1)CNC2CCCCCC2 270004a_100000210984_100000210105 [0,0,0,0,0,1|0,0,1]=2 2977 B18R2.126806 C(=NNCc1ccccc1)C2CCCCCC2 4a_100000007032_200000763224 [0,0,0,0,0,1|1,0,1]=3 2978 B18R2.126806 C(=NNCc1ccccn1)C2CCCCCC2 4a_100000736832_200000763224 [0,0,0,0,0,1|2,0,1]=4 2979 B18R2.126806 C(=NNCc1cccnc1)C2CCCCCC2 4a_100000738295_200000763224 [0,0,0,0,0,1|2,0,1]=4 2980 B18R2.126806 C(=NNCc1ccncc1)C2CCCCCC2 4a_100000736929_200000763224 [0,0,0,0,0,1|2,0,1]=4 2981 B18R2.126806 C1=CC(=NNCCc2ccccc2)CCCC1 4a_100000740470_100000742933 [0,0,0,0,0,1|0,0,3]=4 2982 B18R2.126806 C1=CCC(=CC1)CCCOC2CCCCCC2 34a_100020667889_100011217769 [0,0,0,0,0,1|1,0,2]=4 2983 B18R2.126806 c1cc(ccn1)CCCCN2CCCCCC2 2230a_100000185865_100020630000 [0,0,0,0,0,1|3,0,0]=4 2984 B18R2.126806 c1cc(ccn1)CCCCN2CCCCCC2 269982a_100000185865_100020630000 [0,0,0,0,0,1|3,0,0]=4 2985 B18R2.126806 c1cc(ccn1)CCCNC2CCCCCC2 270004a_100011275580_100000210131 [0,0,0,0,0,1|1,0,0]=2 2986 B18R2.126806 c1cc(ccn1)CCCNC2CCCNCC2 270004a_100011275580_100015187895 [0,0,0,0,0,1|2,0,0]=3 2987 B18R2.126806 c1cc(ccn1)CCCNC2CSCCSC2 270004a_100011275580_100000068409 [0,0,0,0,0,1|3,0,0]=4 2988 B18R2.126806 c1cc(ccn1)CCCOC2CCCCCC2 34a_100000210659_100011217769 [0,0,0,0,0,1|2,0,0]=3 2989 B18R2.126806 c1cc(ccn1)CCNCC2CCCCCC2 2230a_100015204231_100000723409 [0,0,0,0,0,1|1,0,0]=2 2990 B18R2.126806 c1cc(ccn1)CCNCC2CCCCCC2 269862a_100000742849_200000763224 [0,0,0,0,0,1|1,0,0]=2 2991 B18R2.126806 c1cc(ccn1)CCOCC2CCCCCC2 34a_100011216225_200000696569 [0,0,0,0,0,1|2,0,0]=3 2992 B18R2.126806 c1cc(ccn1)CCOCC2CCCCCC2 7a_100000699130_100000723409 [0,0,0,0,0,1|2,0,0]=3 2993 B18R2.126806 c1cc(ccn1)CCSCC2CCCCCC2 62a_100000723409_200000696569 [0,0,0,0,0,1|2,0,0]=3 2994 B18R2.126806 c1cc(ccn1)CCSCC2CCCCCC2 62a_200000696569_100000723409 [0,0,0,0,0,1|2,0,0]=3 2995 B18R2.126806 c1cc(ccn1)CNCCC2CCCCCC2 207a_100011532351_100000186114 [0,0,0,0,0,1|2,0,0]=3 2996 B18R2.126806 c1cc(ccn1)CNCCC2CCCCCC2 2230a_100011532351_100015193705 [0,0,0,0,0,1|2,0,0]=3 2997 B18R2.126806 c1cc(ccn1)CNCCN2CCCCCC2 207a_100000738142_100000186114 [0,0,0,0,0,1|3,0,0]=4 2998 B18R2.126806 c1cc(ccn1)CSCCN2CCCCCC2 62a_100000722644_100015193705 [0,0,0,0,0,1|3,0,0]=4 2999 B18R2.126806 c1cc(ccn1)CSCCN2CCCCCC2 62a_100015193705_100000722644 [0,0,0,0,0,1|3,0,0]=4 3000 B18R2.126806 c1cc(ccn1)NCCOC2CCCCCC2 34a_200011243140_100011217769 [0,0,0,0,0,1|2,0,0]=3 3001 B18R2.126806 c1cc(ccn1)OCCNC2CCCCCC2 270004a_100025717301_100000210131 [0,0,0,0,0,1|1,0,0]=2 3002 B18R2.126806 c1cc(ccn1)OCCNC2CCCNCC2 270004a_100025717301_100015187895 [0,0,0,0,0,1|2,0,0]=3 3003 B18R2.126806 c1cc(ccn1)OCCNC2CSCCSC2 270004a_100025717301_100000068409 [0,0,0,0,0,1|3,0,0]=4 3004 B18R2.126806 c1cc(cnn1)CNCCC2CCCCCC2 270004a_100011532351_100011934578 [0,0,0,0,0,1|3,0,0]=4 3005 B18R2.126806 c1ccc(cc1)CCCCN2CCCCCC2 2230a_100000185865_100000701786 [0,0,0,0,0,1|2,0,0]=3 3006 B18R2.126806 c1ccc(cc1)CCCCN2CCCCCC2 269982a_100000185865_100000701786 [0,0,0,0,0,1|2,0,0]=3 3007 B18R2.126806 c1ccc(cc1)CCCCN2CCCCCC2 34a_100000185865_100000701786 [0,0,0,0,0,1|2,0,0]=3 3008 B18R2.126806 c1ccc(cc1)CCCCN2CCCOCC2 2230a_100000685342_100000701786 [0,0,0,0,0,1|3,0,0]=4 3009 B18R2.126806 c1ccc(cc1)CCCCN2CCCOCC2 269982a_100000685342_100000701786 [0,0,0,0,0,1|3,0,0]=4 3010 B18R2.126806 c1ccc(cc1)CCCCN2CCCOCC2 34a_100000685342_100000701786 [0,0,0,0,0,1|3,0,0]=4 3011 B18R2.126806 c1ccc(cc1)CCCNC2CCCCCC2 2230a_100000210984_100000211621 [0,0,0,0,0,1|0,0,0]=1 3012 B18R2.126806 c1ccc(cc1)CCCNC2CCCCCC2 270004a_100000211184_100000210131 [0,0,0,0,0,1|0,0,0]=1 3013 B18R2.126806 c1ccc(cc1)CCCNC2CCCCCC2 34a_100000210984_100000211621 [0,0,0,0,0,1|0,0,0]=1 3014 B18R2.126806 c1ccc(cc1)CCCNC2CCCCCC2 34a_100000211184_100011217769 [0,0,0,0,0,1|0,0,0]=1 3015 B18R2.126806 c1ccc(cc1)CCCNC2CCCNCC2 270004a_100000211184_100015187895 [0,0,0,0,0,1|1,0,0]=2 3016 B18R2.126806 c1ccc(cc1)CCCNC2CSCCSC2 270004a_100000211184_100000068409 [0,0,0,0,0,1|2,0,0]=3 3017 B18R2.126806 c1ccc(cc1)CCCOC2CCCCCC2 34a_100000210828_100011217769 [0,0,0,0,0,1|1,0,0]=2 3018 B18R2.126806 c1ccc(cc1)CCCOC2CCCCCC2 34a_100000210887_100000211621 [0,0,0,0,0,1|1,0,0]=2 3019 B18R2.126806 c1ccc(cc1)CCCOC2CCCCCC2 7a_100000210887_100000211621 [0,0,0,0,0,1|1,0,0]=2 3020 B18R2.126806 c1ccc(cc1)CCCSC2CCCCCC2 62a_100000211621_100011217769 [0,0,0,0,0,1|1,0,0]=2 3021 B18R2.126806 c1ccc(cc1)CCCSC2CCCCCC2 62a_100011217769_100000211621 [0,0,0,0,0,1|1,0,0]=2 3022 B18R2.126806 c1ccc(cc1)CCNCC2CCCCCC2 2230a_100000106460_200000696569 [0,0,0,0,0,1|0,0,0]=1 3023 B18R2.126806 c1ccc(cc1)CCNCC2CCCCCC2 2230a_100015204231_100000765856 [0,0,0,0,0,1|0,0,0]=1 3024 B18R2.126806 c1ccc(cc1)CCNCC2CCCCCC2 269862a_100000106460_200000763224 [0,0,0,0,0,1|0,0,0]=1 3025 B18R2.126806 c1ccc(cc1)CCNCC2CCCCCC2 34a_100000106460_200000696569 [0,0,0,0,0,1|0,0,0]=1 3026 B18R2.126806 c1ccc(cc1)CCNCC2CCCCCC2 34a_100015204231_100000765856 [0,0,0,0,0,1|0,0,0]=1 3027 B18R2.126806 c1ccc(cc1)CCNN=C2CCCCCC2 4a_100000740470_100000210131 [0,0,0,0,0,1|0,0,1]=2 3028 B18R2.126806 c1ccc(cc1)CCNN=C2CSCCSC2 4a_100000740470_100000068409 [0,0,0,0,0,1|2,0,1]=4 3029 B18R2.126806 c1ccc(cc1)CCOCC2CCCCCC2 34a_100000210268_200000696569 [0,0,0,0,0,1|1,0,0]=2 3030 B18R2.126806 c1ccc(cc1)CCOCC2CCCCCC2 34a_100000699130_100000765856 [0,0,0,0,0,1|1,0,0]=2 3031 B18R2.126806 c1ccc(cc1)CCOCC2CCCCCC2 7a_100000210268_200000696569 [0,0,0,0,0,1|1,0,0]=2 3032 B18R2.126806 c1ccc(cc1)CCOCC2CCCCCC2 7a_100000699130_100000765856 [0,0,0,0,0,1|1,0,0]=2 3033 B18R2.126806 c1ccc(cc1)CCOCC2CNCCOC2 34a_100103147999_100000765856 [0,0,0,0,0,1|3,0,0]=4 3034 B18R2.126806 c1ccc(cc1)CCSCC2CCCCCC2 62a_100000765856_200000696569 [0,0,0,0,0,1|1,0,0]=2 3035 B18R2.126806 c1ccc(cc1)CCSCC2CCCCCC2 62a_200000696569_100011218657 [0,0,0,0,0,1|1,0,0]=2 3036 B18R2.126806 c1ccc(cc1)CNCCC2CCCCCC2 207a_100011532351_100015611070 [0,0,0,0,0,1|1,0,0]=2 3037 B18R2.126806 c1ccc(cc1)CNCCC2CCCCCC2 2230a_100011532351_100015291786 [0,0,0,0,0,1|1,0,0]=2 3038 B18R2.126806 c1ccc(cc1)CNCCC2CCCCCC2 270004a_100011532351_100015611070 [0,0,0,0,0,1|1,0,0]=2 3039 B18R2.126806 c1ccc(cc1)CNCCC2CCCCCC2 34a_100011532351_100015291786 [0,0,0,0,0,1|1,0,0]=2 3040 B18R2.126806 c1ccc(cc1)CNCCN2CCCCCC2 207a_100000738142_100015611070 [0,0,0,0,0,1|2,0,0]=3 3041 B18R2.126806 c1ccc(cc1)CNCCN2CCCCCC2 270004a_100000738142_100015611070 [0,0,0,0,0,1|2,0,0]=3 3042 B18R2.126806 c1ccc(cc1)COCCN2CCCCCC2 2230a_100000185865_100000234347 [0,0,0,0,0,1|2,0,0]=3 3043 B18R2.126806 c1ccc(cc1)COCCN2CCCCCC2 269982a_100000185865_100000234347 [0,0,0,0,0,1|2,0,0]=3 3044 B18R2.126806 c1ccc(cc1)COCCN2CCCCCC2 34a_100000185865_100000234347 [0,0,0,0,0,1|2,0,0]=3 3045 B18R2.126806 c1ccc(cc1)COCCN2CCCCCC2 34a_100000238007_100015291786 [0,0,0,0,0,1|2,0,0]=3 3046 B18R2.126806 c1ccc(cc1)COCCN2CCCCCC2 7a_100000210790_100000722644 [0,0,0,0,0,1|2,0,0]=3 3047 B18R2.126806 c1ccc(cc1)COCCN2CCCOCC2 2230a_100000685342_100000234347 [0,0,0,0,0,1|3,0,0]=4 3048 B18R2.126806 c1ccc(cc1)COCCN2CCCOCC2 269982a_100000685342_100000234347 [0,0,0,0,0,1|3,0,0]=4 3049 B18R2.126806 c1ccc(cc1)COCCN2CCCOCC2 34a_100000685342_100000234347 [0,0,0,0,0,1|3,0,0]=4 3050 B18R2.126806 c1ccc(cc1)COCNC2CCCCCC2 2230a_100000210984_100000763385 [0,0,0,0,0,1|0,0,0]=1 3051 B18R2.126806 c1ccc(cc1)COCNC2CCCCCC2 34a_100000210984_100000763385 [0,0,0,0,0,1|0,0,0]=1 3052 B18R2.126806 c1ccc(cc1)COCOC2CCCCCC2 34a_100000210887_100000763385 [0,0,0,0,0,1|1,0,0]=2 3053 B18R2.126806 c1ccc(cc1)COCSC2CCCCCC2 62a_100000763385_100011217769 [0,0,0,0,0,1|1,0,0]=2 3054 B18R2.126806 c1ccc(cc1)COCSC2CCCCCC2 62a_100011217769_100000763385 [0,0,0,0,0,1|1,0,0]=2 3055 B18R2.126806 c1ccc(cc1)CSCCN2CCCCCC2 2230a_100000185865_200011297719 [0,0,0,0,0,1|2,0,0]=3 3056 B18R2.126806 c1ccc(cc1)CSCCN2CCCCCC2 269982a_100000185865_200011297719 [0,0,0,0,0,1|2,0,0]=3 3057 B18R2.126806 c1ccc(cc1)CSCCN2CCCCCC2 34a_100000185865_200011297719 [0,0,0,0,0,1|2,0,0]=3 3058 B18R2.126806 c1ccc(cc1)CSCCN2CCCCCC2 62a_100000211182_100000722644 [0,0,0,0,0,1|2,0,0]=3 3059 B18R2.126806 c1ccc(cc1)CSCCN2CCCCCC2 62a_100000722644_100015291786 [0,0,0,0,0,1|2,0,0]=3 3060 B18R2.126806 c1ccc(cc1)CSCCN2CCCOCC2 2230a_100000685342_200011297719 [0,0,0,0,0,1|3,0,0]=4 3061 B18R2.126806 c1ccc(cc1)CSCCN2CCCOCC2 269982a_100000685342_200011297719 [0,0,0,0,0,1|3,0,0]=4 3062 B18R2.126806 c1ccc(cc1)CSCCN2CCCOCC2 34a_100000685342_200011297719 [0,0,0,0,0,1|3,0,0]=4 3063 B18R2.126806 c1ccc(cc1)CSCNC2CCCCCC2 2230a_100000210984_200011217039 [0,0,0,0,0,1|0,0,0]=1 3064 B18R2.126806 c1ccc(cc1)CSCNC2CCCCCC2 34a_100000210984_200011217039 [0,0,0,0,0,1|0,0,0]=1 3065 B18R2.126806 c1ccc(cc1)CSCOC2CCCCCC2 34a_100000210887_200011217039 [0,0,0,0,0,1|1,0,0]=2 3066 B18R2.126806 c1ccc(cc1)CSCSC2CCCCCC2 62a_100011217769_200011217039 [0,0,0,0,0,1|1,0,0]=2 3067 B18R2.126806 c1ccc(cc1)CSCSC2CCCCCC2 62a_200011217039_100011217769 [0,0,0,0,0,1|1,0,0]=2 3068 B18R2.126806 c1ccc(cc1)NCCOC2CCCCCC2 34a_100000211345_100011217769 [0,0,0,0,0,1|1,0,0]=2 3069 B18R2.126806 c1ccc(cc1)OCCCN2CCCCCC2 2230a_100000185865_100000199009 [0,0,0,0,0,1|2,0,0]=3 3070 B18R2.126806 c1ccc(cc1)OCCCN2CCCCCC2 269982a_100000185865_100000199009 [0,0,0,0,0,1|2,0,0]=3 3071 B18R2.126806 c1ccc(cc1)OCCCN2CCCCCC2 34a_100000185865_100000199009 [0,0,0,0,0,1|2,0,0]=3 3072 B18R2.126806 c1ccc(cc1)OCCCN2CCCOCC2 2230a_100000685342_100000199009 [0,0,0,0,0,1|3,0,0]=4 3073 B18R2.126806 c1ccc(cc1)OCCCN2CCCOCC2 269982a_100000685342_100000199009 [0,0,0,0,0,1|3,0,0]=4 3074 B18R2.126806 c1ccc(cc1)OCCCN2CCCOCC2 34a_100000685342_100000199009 [0,0,0,0,0,1|3,0,0]=4 3075 B18R2.126806 c1ccc(cc1)OCCNC2CCCCCC2 2230a_100000210984_100000184471 [0,0,0,0,0,1|0,0,0]=1 3076 B18R2.126806 c1ccc(cc1)OCCNC2CCCCCC2 270004a_100000174943_100000210131 [0,0,0,0,0,1|0,0,0]=1 3077 B18R2.126806 c1ccc(cc1)OCCNC2CCCCCC2 270004a_100000210984_100000758736 [0,0,0,0,0,1|0,0,0]=1 3078 B18R2.126806 c1ccc(cc1)OCCNC2CCCCCC2 34a_100000174943_100011217769 [0,0,0,0,0,1|0,0,0]=1 3079 B18R2.126806 c1ccc(cc1)OCCNC2CCCCCC2 34a_100000210984_100000184471 [0,0,0,0,0,1|0,0,0]=1 3080 B18R2.126806 c1ccc(cc1)OCCNC2CCCNCC2 270004a_100000174943_100015187895 [0,0,0,0,0,1|1,0,0]=2 3081 B18R2.126806 c1ccc(cc1)OCCNC2CSCCSC2 270004a_100000174943_100000068409 [0,0,0,0,0,1|2,0,0]=3 3082 B18R2.126806 c1ccc(cc1)OCCOC2CCCCCC2 34a_100000210260_100011217769 [0,0,0,0,0,1|1,0,0]=2 3083 B18R2.126806 c1ccc(cc1)OCCOC2CCCCCC2 34a_100000210887_100000184471 [0,0,0,0,0,1|1,0,0]=2 3084 B18R2.126806 c1ccc(cc1)OCCOC2CCCCCC2 7a_100000210887_100000184471 [0,0,0,0,0,1|1,0,0]=2 3085 B18R2.126806 c1ccc(cc1)OCCSC2CCCCCC2 62a_100000184471_100011217769 [0,0,0,0,0,1|1,0,0]=2 3086 B18R2.126806 c1ccc(cc1)OCCSC2CCCCCC2 62a_100011217769_100000184471 [0,0,0,0,0,1|1,0,0]=2 3087 B18R2.126806 c1ccc(cc1)SCCCN2CCCCCC2 2230a_100000185865_200011203293 [0,0,0,0,0,1|2,0,0]=3 3088 B18R2.126806 c1ccc(cc1)SCCCN2CCCCCC2 269982a_100000185865_200011203293 [0,0,0,0,0,1|2,0,0]=3 3089 B18R2.126806 c1ccc(cc1)SCCCN2CCCCCC2 34a_100000185865_200011203293 [0,0,0,0,0,1|2,0,0]=3 3090 B18R2.126806 c1ccc(cc1)SCCCN2CCCOCC2 2230a_100000685342_200011203293 [0,0,0,0,0,1|3,0,0]=4 3091 B18R2.126806 c1ccc(cc1)SCCCN2CCCOCC2 269982a_100000685342_200011203293 [0,0,0,0,0,1|3,0,0]=4 3092 B18R2.126806 c1ccc(cc1)SCCCN2CCCOCC2 34a_100000685342_200011203293 [0,0,0,0,0,1|3,0,0]=4 3093 B18R2.126806 c1ccc(cc1)SCCNC2CCCCCC2 2230a_100000210984_100000246102 [0,0,0,0,0,1|0,0,0]=1 3094 B18R2.126806 c1ccc(cc1)SCCNC2CCCCCC2 270004a_100000189519_100000210131 [0,0,0,0,0,1|0,0,0]=1 3095 B18R2.126806 c1ccc(cc1)SCCNC2CCCCCC2 34a_100000210984_100000246102 [0,0,0,0,0,1|0,0,0]=1 3096 B18R2.126806 c1ccc(cc1)SCCNC2CCCNCC2 270004a_100000189519_100015187895 [0,0,0,0,0,1|1,0,0]=2 3097 B18R2.126806 c1ccc(cc1)SCCNC2CSCCSC2 270004a_100000189519_100000068409 [0,0,0,0,0,1|2,0,0]=3 3098 B18R2.126806 c1ccc(cc1)SCCOC2CCCCCC2 34a_100000210887_100000246102 [0,0,0,0,0,1|1,0,0]=2 3099 B18R2.126806 c1ccc(cc1)SCCOC2CCCCCC2 7a_100000210887_100000246102 [0,0,0,0,0,1|1,0,0]=2 3100 B18R2.126806 c1ccc(cc1)SCCSC2CCCCCC2 62a_100000246102_100011217769 [0,0,0,0,0,1|1,0,0]=2 3101 B18R2.126806 c1ccc(cc1)SCCSC2CCCCCC2 62a_100011217769_100000246102 [0,0,0,0,0,1|1,0,0]=2 3102 B18R2.126806 c1ccc(cc1)SCNCC2CCCCCC2 2230a_100015204231_100011218342 [0,0,0,0,0,1|1,0,0]=2 3103 B18R2.126806 c1ccc(cc1)SCSCC2CCCCCC2 62a_100011218342_200000696569 [0,0,0,0,0,1|2,0,0]=3 3104 B18R2.126806 c1ccc(cc1)SCSCC2CCCCCC2 62a_200000696569_100011218342 [0,0,0,0,0,1|2,0,0]=3 3105 B18R2.126806 c1ccc(nc1)CCCNC2CCCCCC2 270004a_100000689020_100000210131 [0,0,0,0,0,1|1,0,0]=2 3106 B18R2.126806 c1ccc(nc1)CCCNC2CCCNCC2 270004a_100000689020_100015187895 [0,0,0,0,0,1|2,0,0]=3 3107 B18R2.126806 c1ccc(nc1)CCCNC2CSCCSC2 270004a_100000689020_100000068409 [0,0,0,0,0,1|3,0,0]=4 3108 B18R2.126806 c1ccc(nc1)CCCOC2CCCCCC2 34a_100011215068_100011217769 [0,0,0,0,0,1|2,0,0]=3 3109 B18R2.126806 c1ccc(nc1)CCNCC2CCCCCC2 2230a_100015204231_100015183660 [0,0,0,0,0,1|1,0,0]=2 3110 B18R2.126806 c1ccc(nc1)CCNCC2CCCCCC2 269862a_100000211156_200000763224 [0,0,0,0,0,1|1,0,0]=2 3111 B18R2.126806 c1ccc(nc1)CCOCC2CCCCCC2 34a_100000210271_200000696569 [0,0,0,0,0,1|2,0,0]=3 3112 B18R2.126806 c1ccc(nc1)CCOCC2CCCCCC2 7a_100000699130_100015183660 [0,0,0,0,0,1|2,0,0]=3 3113 B18R2.126806 c1ccc(nc1)CCSCC2CCCCCC2 62a_100015183660_200000696569 [0,0,0,0,0,1|2,0,0]=3 3114 B18R2.126806 c1ccc(nc1)CCSCC2CCCCCC2 62a_200000696569_100015183660 [0,0,0,0,0,1|2,0,0]=3 3115 B18R2.126806 c1ccc(nc1)CNCCC2CCCCCC2 207a_100011532351_100000209966 [0,0,0,0,0,1|2,0,0]=3 3116 B18R2.126806 c1ccc(nc1)CNCCC2CCCCCC2 2230a_100011532351_100000721315 [0,0,0,0,0,1|2,0,0]=3 3117 B18R2.126806 c1ccc(nc1)CNCCC2CCCCCC2 270004a_100011532351_100000209966 [0,0,0,0,0,1|2,0,0]=3 3118 B18R2.126806 c1ccc(nc1)CNCCC2CCCCCC2 34a_100011532351_100000721315 [0,0,0,0,0,1|2,0,0]=3 3119 B18R2.126806 c1ccc(nc1)CNCCN2CCCCCC2 207a_100000738142_100000209966 [0,0,0,0,0,1|3,0,0]=4 3120 B18R2.126806 c1ccc(nc1)CNCCN2CCCCCC2 270004a_100000738142_100000209966 [0,0,0,0,0,1|3,0,0]=4 3121 B18R2.126806 c1ccc(nc1)COCCN2CCCCCC2 34a_100000238007_100000721315 [0,0,0,0,0,1|3,0,0]=4 3122 B18R2.126806 c1ccc(nc1)CSCCN2CCCCCC2 62a_100000721315_100000722644 [0,0,0,0,0,1|3,0,0]=4 3123 B18R2.126806 c1ccc(nc1)CSCCN2CCCCCC2 62a_100000722644_100000721315 [0,0,0,0,0,1|3,0,0]=4 3124 B18R2.126806 c1ccc(nc1)OCCNC2CCCCCC2 270004a_106741647558_100000210131 [0,0,0,0,0,1|1,0,0]=2 3125 B18R2.126806 c1ccc(nc1)OCCNC2CCCNCC2 270004a_106741647558_100015187895 [0,0,0,0,0,1|2,0,0]=3 3126 B18R2.126806 c1ccc(nc1)OCCNC2CSCCSC2 270004a_106741647558_100000068409 [0,0,0,0,0,1|3,0,0]=4 3127 B18R2.126806 c1cnc(cn1)CCNCC2CCCCCC2 269862a_100000723456_200000763224 [0,0,0,0,0,1|2,0,0]=3 3128 B18R2.126806 c1cnc(cn1)CCOCC2CCCCCC2 34a_100011349526_200000696569 [0,0,0,0,0,1|3,0,0]=4 3129 B18R2.126806 c1cnc(cn1)CNCCC2CCCCCC2 2230a_100011532351_100016995436 [0,0,0,0,0,1|3,0,0]=4 3130 B18R2.126806 c1cnc(cn1)CNCCC2CCCCCC2 270004a_100011532351_100000749867 [0,0,0,0,0,1|3,0,0]=4 3131 B18R2.126806 c1cnc(cn1)CNCCC2CCCCCC2 34a_100011532351_100016995436 [0,0,0,0,0,1|3,0,0]=4 3132 B18R2.126806 c1cnc(nc1)CNCCC2CCCCCC2 2230a_100011532351_100000703007 [0,0,0,0,0,1|3,0,0]=4 3133 B18R2.126806 c1cnc(nc1)CNCCC2CCCCCC2 270004a_100011532351_100011532527 [0,0,0,0,0,1|3,0,0]=4 3134 B18R2.126806 c1cnc(nc1)CNCCC2CCCCCC2 34a_100011532351_100000703007 [0,0,0,0,0,1|3,0,0]=4 3135 B18R2.126806 c1cncc(c1)CCCNC2CCCCCC2 270004a_100011532358_100000210131 [0,0,0,0,0,1|1,0,0]=2 3136 B18R2.126806 c1cncc(c1)CCCNC2CCCCCC2 34a_100011532358_100011217769 [0,0,0,0,0,1|1,0,0]=2 3137 B18R2.126806 c1cncc(c1)CCCNC2CCCNCC2 270004a_100011532358_100015187895 [0,0,0,0,0,1|2,0,0]=3 3138 B18R2.126806 c1cncc(c1)CCCNC2CSCCSC2 270004a_100011532358_100000068409 [0,0,0,0,0,1|3,0,0]=4 3139 B18R2.126806 c1cncc(c1)CCCOC2CCCCCC2 34a_100000211284_100011217769 [0,0,0,0,0,1|2,0,0]=3 3140 B18R2.126806 c1cncc(c1)CCNCC2CCCCCC2 2230a_100000736294_200000696569 [0,0,0,0,0,1|1,0,0]=2 3141 B18R2.126806 c1cncc(c1)CCNCC2CCCCCC2 2230a_100015204231_200011713674 [0,0,0,0,0,1|1,0,0]=2 3142 B18R2.126806 c1cncc(c1)CCNCC2CCCCCC2 269862a_100000736294_200000763224 [0,0,0,0,0,1|1,0,0]=2 3143 B18R2.126806 c1cncc(c1)CCOCC2CCCCCC2 34a_100011217484_200000696569 [0,0,0,0,0,1|2,0,0]=3 3144 B18R2.126806 c1cncc(c1)CCOCC2CCCCCC2 7a_100000699130_200011713674 [0,0,0,0,0,1|2,0,0]=3 3145 B18R2.126806 c1cncc(c1)CCSCC2CCCCCC2 62a_200000696569_200011713674 [0,0,0,0,0,1|2,0,0]=3 3146 B18R2.126806 c1cncc(c1)CCSCC2CCCCCC2 62a_200011713674_200000696569 [0,0,0,0,0,1|2,0,0]=3 3147 B18R2.126806 c1cncc(c1)CNCCC2CCCCCC2 207a_100011532351_100000209961 [0,0,0,0,0,1|2,0,0]=3 3148 B18R2.126806 c1cncc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000741622 [0,0,0,0,0,1|2,0,0]=3 3149 B18R2.126806 c1cncc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000209961 [0,0,0,0,0,1|2,0,0]=3 3150 B18R2.126806 c1cncc(c1)CNCCC2CCCCCC2 34a_100011532351_100000733263 [0,0,0,0,0,1|2,0,0]=3 3151 B18R2.126806 c1cncc(c1)CNCCN2CCCCCC2 207a_100000738142_100000209961 [0,0,0,0,0,1|3,0,0]=4 3152 B18R2.126806 c1cncc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000209961 [0,0,0,0,0,1|3,0,0]=4 3153 B18R2.126806 c1cncc(c1)COCCN2CCCCCC2 34a_100000238007_100000733263 [0,0,0,0,0,1|3,0,0]=4 3154 B18R2.126806 c1cncc(c1)CSCCN2CCCCCC2 62a_100000722644_100000741622 [0,0,0,0,0,1|3,0,0]=4 3155 B18R2.126806 c1cncc(c1)CSCCN2CCCCCC2 62a_100000741622_100000722644 [0,0,0,0,0,1|3,0,0]=4 3156 B18R2.126806 c1cncc(c1)OCCNC2CCCCCC2 270004a_100000754688_100000210131 [0,0,0,0,0,1|1,0,0]=2 3157 B18R2.126806 c1cncc(c1)OCCNC2CCCNCC2 270004a_100000754688_100015187895 [0,0,0,0,0,1|2,0,0]=3 3158 B18R2.126806 c1cncc(c1)OCCNC2CSCCSC2 270004a_100000754688_100000068409 [0,0,0,0,0,1|3,0,0]=4 3159 B18R2.126806 c1cnnc(c1)CNCCC2CCCCCC2 2230a_100011532351_100016990269 [0,0,0,0,0,1|3,0,0]=4 3160 B18R2.126806 c1cnnc(c1)CNCCC2CCCCCC2 34a_100011532351_100016990269 [0,0,0,0,0,1|3,0,0]=4 3161 B18R2.126806 c1ncc(cn1)CCOCC2CCCCCC2 34a_100011709255_200000696569 [0,0,0,0,0,1|3,0,0]=4 3162 B18R2.126806 c1ncc(cn1)CNCCC2CCCCCC2 2230a_100011532351_100015196519 [0,0,0,0,0,1|3,0,0]=4 3163 B18R2.126806 c1ncc(cn1)CNCCC2CCCCCC2 270004a_100011532351_100000749868 [0,0,0,0,0,1|3,0,0]=4 3164 B18R2.126806 c1ncc(cn1)CNCCC2CCCCCC2 34a_100011532351_100015196519 [0,0,0,0,0,1|3,0,0]=4 3165 B15R1.35 BrCCCCCCOCc1ccccc1 34a_100011215345_100015291786 [1,0,1,0,0,0|2,0,0]=4 3166 B15R1.35 BrCCCCCCOCc1ccccc1 7a_100011215345_100000211182 [1,0,1,0,0,0|2,0,0]=4 3167 B15R1.35 BrCCCCCOCCc1ccccc1 34a_100000746331_100000765856 [1,0,1,0,0,0|2,0,0]=4 3168 B15R1.35 BrCCCCCOCCc1ccccc1 7a_100000746331_100000765856 [1,0,1,0,0,0|2,0,0]=4 3169 B15R1.35 BrCCCCOCCCc1ccccc1 34a_100011216708_100000211621 [1,0,1,0,0,0|2,0,0]=4 3170 B15R1.35 BrCCCOCCCCc1ccccc1 34a_100011217188_100000701786 [1,0,1,0,0,0|2,0,0]=4 3171 B15R1.35 BrCCOCCCCCc1ccccc1 34a_100000211926_200011217138 [1,0,1,0,0,0|2,0,0]=4 3172 B15R1.35 C#CCCCCCNCc1ccccc1 2230a_100015324214_100012094781 [1,0,1,0,0,0|0,0,2]=4 3173 B15R1.35 C#CCCCCCNCc1ccccc1 34a_100015324214_100012094781 [1,0,1,0,0,0|0,0,2]=4 3174 B15R1.35 C#CCCCCNCCc1ccccc1 2230a_100000106460_100010269958 [1,0,1,0,0,0|0,0,2]=4 3175 B15R1.35 C#CCCCCNCCc1ccccc1 2230a_100000706060_100000765856 [1,0,1,0,0,0|0,0,2]=4 3176 B15R1.35 C#CCCCCNCCc1ccccc1 34a_100000106460_100010269958 [1,0,1,0,0,0|0,0,2]=4 3177 B15R1.35 C#CCCCCNCCc1ccccc1 34a_100000706060_100000765856 [1,0,1,0,0,0|0,0,2]=4 3178 B15R1.35 C=CCCCCCNCc1ccccc1 2230a_100015324214_100000700193 [1,0,1,0,0,0|0,0,2]=4 3179 B15R1.35 C=CCCCCCNCc1ccccc1 34a_100015324214_100000700193 [1,0,1,0,0,0|0,0,2]=4 3180 B15R1.35 C=CCCCCNCCc1ccccc1 2230a_100000106460_100011215482 [1,0,1,0,0,0|0,0,2]=4 3181 B15R1.35 C=CCCCCNCCc1ccccc1 2230a_100000703577_100000765856 [1,0,1,0,0,0|0,0,2]=4 3182 B15R1.35 C=CCCCCNCCc1ccccc1 34a_100000106460_100011215482 [1,0,1,0,0,0|0,0,2]=4 3183 B15R1.35 C=CCCCCNCCc1ccccc1 34a_100000703577_100000765856 [1,0,1,0,0,0|0,0,2]=4 3184 B15R1.35 CC/C=C\CCNCCc1ccccc1 2230a_100000106460_100015370543 [1,0,1,0,0,0|0,0,2]=4 3185 B15R1.35 CC/C=C\CCNCCc1ccccc1 34a_100000106460_100015370543 [1,0,1,0,0,0|0,0,2]=4 3186 B15R1.35 CCCCC=NNCCc1ccccc1 4a_100000740470_100000210104 [1,0,1,0,0,0|1,0,1]=4 3187 B15R1.35 CCCCCC=NNCc1ccccc1 4a_100000007032_100000737632 [1,0,1,0,0,0|1,0,1]=4 3188 B15R1.35 CCCCCCCC=Cc1ccccc1 271570a_100134823654_100000210277 [1,0,1,0,0,0|0,0,2]=4 3189 B15R1.35 CCCCCCCCNc1ccccc1 34a_100000106764_100000210759 [1,0,1,0,0,0|1,0,0]=3 3190 B15R1.35 CCCCCCCCOc1ccccc1 34a_100000210340_100000210759 [1,0,1,0,0,0|1,0,0]=3 3191 B15R1.35 CCCCCCCCOc1ccccc1 7a_100000210340_100000210759 [1,0,1,0,0,0|1,0,0]=3 3192 B15R1.35 CCCCCCCCOc1cccnc1 34a_100000210849_100000210759 [1,0,1,0,0,0|2,0,0]=4 3193 B15R1.35 CCCCCCCCOc1cccnc1 7a_100000210849_100000210759 [1,0,1,0,0,0|2,0,0]=4 3194 B15R1.35 CCCCCCCCOc1ccncc1 34a_100000212176_100000210759 [1,0,1,0,0,0|2,0,0]=4 3195 B15R1.35 CCCCCCCCSc1ccccc1 62a_100000210759_100000041952 [1,0,1,0,0,0|1,0,0]=3 3196 B15R1.35 CCCCCCCCSc1ccccc1 62a_100000719477_100000210317 [1,0,1,0,0,0|1,0,0]=3 3197 B15R1.35 CCCCCCCCSc1ccccn1 62a_100000210759_100011216584 [1,0,1,0,0,0|2,0,0]=4 3198 B15R1.35 CCCCCCCCSc1ccccn1 62a_100011216584_100000210317 [1,0,1,0,0,0|2,0,0]=4 3199 B15R1.35 CCCCCCCCSc1cccnc1 62a_100000210063_100000210317 [1,0,1,0,0,0|2,0,0]=4 3200 B15R1.35 CCCCCCCCSc1cccnc1 62a_100000210759_100000210063 [1,0,1,0,0,0|2,0,0]=4 3201 B15R1.35 CCCCCCCCSc1ccncc1 62a_100000210759_100000728582 [1,0,1,0,0,0|2,0,0]=4 3202 B15R1.35 CCCCCCCCSc1ccncc1 62a_100000728582_100000210317 [1,0,1,0,0,0|2,0,0]=4 3203 B15R1.35 CCCCCCCNCc1ccccc1 207a_100000229938_100015611070 [1,0,1,0,0,0|0,0,0]=2 3204 B15R1.35 CCCCCCCNCc1ccccc1 2230a_100000229938_100015291786 [1,0,1,0,0,0|0,0,0]=2 3205 B15R1.35 CCCCCCCNCc1ccccc1 2230a_100015324214_100000210681 [1,0,1,0,0,0|0,0,0]=2 3206 B15R1.35 CCCCCCCNCc1ccccc1 270004a_100000229938_100015611070 [1,0,1,0,0,0|0,0,0]=2 3207 B15R1.35 CCCCCCCNCc1ccccc1 34a_100015324214_100000210614 [1,0,1,0,0,0|0,0,0]=2 3208 B15R1.35 CCCCCCCNCc1ccccn1 207a_100000229938_100000209966 [1,0,1,0,0,0|1,0,0]=3 3209 B15R1.35 CCCCCCCNCc1ccccn1 2230a_100000229938_100000721315 [1,0,1,0,0,0|1,0,0]=3 3210 B15R1.35 CCCCCCCNCc1ccccn1 270004a_100000229938_100000209966 [1,0,1,0,0,0|1,0,0]=3 3211 B15R1.35 CCCCCCCNCc1cccnc1 207a_100000229938_100000209961 [1,0,1,0,0,0|1,0,0]=3 3212 B15R1.35 CCCCCCCNCc1cccnc1 2230a_100000229938_100000741622 [1,0,1,0,0,0|1,0,0]=3 3213 B15R1.35 CCCCCCCNCc1cccnc1 270004a_100000229938_100000209961 [1,0,1,0,0,0|1,0,0]=3 3214 B15R1.35 CCCCCCCNCc1cccnn1 2230a_100000229938_100016990269 [1,0,1,0,0,0|2,0,0]=4 3215 B15R1.35 CCCCCCCNCc1cccnn1 2230a_100159270163_100000210681 [1,0,1,0,0,0|2,0,0]=4 3216 B15R1.35 CCCCCCCNCc1ccncc1 207a_100000229938_100000186114 [1,0,1,0,0,0|1,0,0]=3 3217 B15R1.35 CCCCCCCNCc1ccncc1 2230a_100000229938_100015193705 [1,0,1,0,0,0|1,0,0]=3 3218 B15R1.35 CCCCCCCNCc1ccnnc1 270004a_100000229938_100011934578 [1,0,1,0,0,0|2,0,0]=4 3219 B15R1.35 CCCCCCCNCc1cnccn1 2230a_100000229938_100016995436 [1,0,1,0,0,0|2,0,0]=4 3220 B15R1.35 CCCCCCCNCc1cnccn1 270004a_100000229938_100000749867 [1,0,1,0,0,0|2,0,0]=4 3221 B15R1.35 CCCCCCCNCc1cncnc1 2230a_100000229938_100015196519 [1,0,1,0,0,0|2,0,0]=4 3222 B15R1.35 CCCCCCCNCc1cncnc1 2230a_100011243677_100000210681 [1,0,1,0,0,0|2,0,0]=4 3223 B15R1.35 CCCCCCCNCc1cncnc1 270004a_100000229938_100000749868 [1,0,1,0,0,0|2,0,0]=4 3224 B15R1.35 CCCCCCCNCc1ncccn1 2230a_100000229938_100000703007 [1,0,1,0,0,0|2,0,0]=4 3225 B15R1.35 CCCCCCCNCc1ncccn1 270004a_100000229938_100011532527 [1,0,1,0,0,0|2,0,0]=4 3226 B15R1.35 CCCCCCCOCc1ccccc1 34a_100000210272_100015291786 [1,0,1,0,0,0|1,0,0]=3 3227 B15R1.35 CCCCCCCOCc1ccccc1 34a_100000210790_100000210614 [1,0,1,0,0,0|1,0,0]=3 3228 B15R1.35 CCCCCCCOCc1ccccc1 7a_100000210272_100000211182 [1,0,1,0,0,0|1,0,0]=3 3229 B15R1.35 CCCCCCCOCc1ccccc1 7a_100000210790_100000210614 [1,0,1,0,0,0|1,0,0]=3 3230 B15R1.35 CCCCCCCOCc1ccccn1 34a_100000210272_100000721315 [1,0,1,0,0,0|2,0,0]=4 3231 B15R1.35 CCCCCCCOCc1ccccn1 7a_100000210272_100000721315 [1,0,1,0,0,0|2,0,0]=4 3232 B15R1.35 CCCCCCCOCc1cccnc1 34a_100000210272_100000733263 [1,0,1,0,0,0|2,0,0]=4 3233 B15R1.35 CCCCCCCOCc1cccnc1 7a_100000210272_100000741622 [1,0,1,0,0,0|2,0,0]=4 3234 B15R1.35 CCCCCCCOCc1ccncc1 7a_100000210272_100015193705 [1,0,1,0,0,0|2,0,0]=4 3235 B15R1.35 CCCCCCCSCc1ccccc1 62a_100000210614_100015291786 [1,0,1,0,0,0|1,0,0]=3 3236 B15R1.35 CCCCCCCSCc1ccccc1 62a_100000211182_100000210316 [1,0,1,0,0,0|1,0,0]=3 3237 B15R1.35 CCCCCCCSCc1ccccn1 62a_100000210614_100000721315 [1,0,1,0,0,0|2,0,0]=4 3238 B15R1.35 CCCCCCCSCc1ccccn1 62a_100000721315_100000210316 [1,0,1,0,0,0|2,0,0]=4 3239 B15R1.35 CCCCCCCSCc1cccnc1 62a_100000210614_100000741622 [1,0,1,0,0,0|2,0,0]=4 3240 B15R1.35 CCCCCCCSCc1cccnc1 62a_100000741622_100000210316 [1,0,1,0,0,0|2,0,0]=4 3241 B15R1.35 CCCCCCCSCc1ccncc1 62a_100000210614_100015193705 [1,0,1,0,0,0|2,0,0]=4 3242 B15R1.35 CCCCCCCSCc1ccncc1 62a_100015193705_100000210316 [1,0,1,0,0,0|2,0,0]=4 3243 B15R1.35 CCCCCCNCCc1ccccc1 2230a_100000106460_100000210314 [1,0,1,0,0,0|0,0,0]=2 3244 B15R1.35 CCCCCCNCCc1ccccc1 2230a_100000210581_100000765856 [1,0,1,0,0,0|0,0,0]=2 3245 B15R1.35 CCCCCCNCCc1ccccc1 34a_100000106460_100000210314 [1,0,1,0,0,0|0,0,0]=2 3246 B15R1.35 CCCCCCNCCc1ccccn1 2230a_100000210581_100015183660 [1,0,1,0,0,0|1,0,0]=3 3247 B15R1.35 CCCCCCNCCc1cccnc1 2230a_100000210581_200011713674 [1,0,1,0,0,0|1,0,0]=3 3248 B15R1.35 CCCCCCNCCc1cccnc1 2230a_100000736294_100000210314 [1,0,1,0,0,0|1,0,0]=3 3249 B15R1.35 CCCCCCNCCc1ccncc1 2230a_100000210581_100000723409 [1,0,1,0,0,0|1,0,0]=3 3250 B15R1.35 CCCCCCNCSc1ccccc1 2230a_100000210581_100011218342 [1,0,1,0,0,0|1,0,0]=3 3251 B15R1.35 CCCCCCOCCc1ccccc1 34a_100000210259_100000765856 [1,0,1,0,0,0|1,0,0]=3 3252 B15R1.35 CCCCCCOCCc1ccccc1 34a_100000210268_100000210314 [1,0,1,0,0,0|1,0,0]=3 3253 B15R1.35 CCCCCCOCCc1ccccc1 7a_100000210259_100000765856 [1,0,1,0,0,0|1,0,0]=3 3254 B15R1.35 CCCCCCOCCc1ccccc1 7a_100000210268_100000210314 [1,0,1,0,0,0|1,0,0]=3 3255 B15R1.35 CCCCCCOCCc1ccccn1 34a_100000210271_100000210314 [1,0,1,0,0,0|2,0,0]=4 3256 B15R1.35 CCCCCCOCCc1ccccn1 7a_100000210259_100015183660 [1,0,1,0,0,0|2,0,0]=4 3257 B15R1.35 CCCCCCOCCc1cccnc1 34a_100011217484_100000210314 [1,0,1,0,0,0|2,0,0]=4 3258 B15R1.35 CCCCCCOCCc1cccnc1 7a_100000210259_200011713674 [1,0,1,0,0,0|2,0,0]=4 3259 B15R1.35 CCCCCCOCCc1ccncc1 34a_100011216225_100000210314 [1,0,1,0,0,0|2,0,0]=4 3260 B15R1.35 CCCCCCOCCc1ccncc1 7a_100000210259_100000723409 [1,0,1,0,0,0|2,0,0]=4 3261 B15R1.35 CCCCCCSCCc1ccccc1 62a_100000210314_100011218657 [1,0,1,0,0,0|1,0,0]=3 3262 B15R1.35 CCCCCCSCCc1ccccc1 62a_100000765856_100000210757 [1,0,1,0,0,0|1,0,0]=3 3263 B15R1.35 CCCCCCSCCc1ccccn1 62a_100000210314_100015183660 [1,0,1,0,0,0|2,0,0]=4 3264 B15R1.35 CCCCCCSCCc1ccccn1 62a_100015183660_100000210757 [1,0,1,0,0,0|2,0,0]=4 3265 B15R1.35 CCCCCCSCCc1cccnc1 62a_100000210314_200011713674 [1,0,1,0,0,0|2,0,0]=4 3266 B15R1.35 CCCCCCSCCc1cccnc1 62a_200011713674_100000210757 [1,0,1,0,0,0|2,0,0]=4 3267 B15R1.35 CCCCCCSCCc1ccncc1 62a_100000210314_100000723409 [1,0,1,0,0,0|2,0,0]=4 3268 B15R1.35 CCCCCCSCCc1ccncc1 62a_100000723409_100000210757 [1,0,1,0,0,0|2,0,0]=4 3269 B15R1.35 CCCCCCSCSc1ccccc1 62a_100000210314_100011218342 [1,0,1,0,0,0|2,0,0]=4 3270 B15R1.35 CCCCCCSCSc1ccccc1 62a_100011218342_100000210757 [1,0,1,0,0,0|2,0,0]=4 3271 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000209983_100000211621 [1,0,1,0,0,0|1,0,0]=3 3272 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000211184_100000210326 [1,0,1,0,0,0|1,0,0]=3 3273 B15R1.35 CCCCCNCCCc1ccccc1 34a_100000211184_100000718602 [1,0,1,0,0,0|1,0,0]=3 3274 B15R1.35 CCCCCNCCCc1cccnc1 2230a_100011532358_100000210326 [1,0,1,0,0,0|2,0,0]=4 3275 B15R1.35 CCCCCNCCCc1cccnc1 34a_100011532358_100000718602 [1,0,1,0,0,0|2,0,0]=4 3276 B15R1.35 CCCCCNCCCc1ccncc1 2230a_100011275580_100000210326 [1,0,1,0,0,0|2,0,0]=4 3277 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000174943_100000210326 [1,0,1,0,0,0|2,0,0]=4 3278 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000209983_100000184471 [1,0,1,0,0,0|2,0,0]=4 3279 B15R1.35 CCCCCNCCOc1ccccc1 270004a_100000209983_100000758736 [1,0,1,0,0,0|2,0,0]=4 3280 B15R1.35 CCCCCNCCOc1ccccc1 34a_100000174943_100000718602 [1,0,1,0,0,0|2,0,0]=4 3281 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000189519_100000210326 [1,0,1,0,0,0|2,0,0]=4 3282 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000209983_100000246102 [1,0,1,0,0,0|2,0,0]=4 3283 B15R1.35 CCCCCNCOCc1ccccc1 2230a_100000209983_100000763385 [1,0,1,0,0,0|2,0,0]=4 3284 B15R1.35 CCCCCNCSCc1ccccc1 2230a_100000209983_200011217039 [1,0,1,0,0,0|2,0,0]=4 3285 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210253_100000211621 [1,0,1,0,0,0|1,0,0]=3 3286 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210828_100000718602 [1,0,1,0,0,0|1,0,0]=3 3287 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210253_100000211621 [1,0,1,0,0,0|1,0,0]=3 3288 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210828_100000210326 [1,0,1,0,0,0|1,0,0]=3 3289 B15R1.35 CCCCCOCCCc1ccccn1 34a_100011215068_100000718602 [1,0,1,0,0,0|2,0,0]=4 3290 B15R1.35 CCCCCOCCCc1cccnc1 34a_100000211284_100000718602 [1,0,1,0,0,0|2,0,0]=4 3291 B15R1.35 CCCCCOCCCc1ccncc1 34a_100000210659_100000718602 [1,0,1,0,0,0|2,0,0]=4 3292 B15R1.35 CCCCCOCCNc1ccccc1 34a_100000211345_100000718602 [1,0,1,0,0,0|2,0,0]=4 3293 B15R1.35 CCCCCOCCOc1ccccc1 34a_100000210253_100000184471 [1,0,1,0,0,0|2,0,0]=4 3294 B15R1.35 CCCCCOCCOc1ccccc1 34a_100000210260_100000718602 [1,0,1,0,0,0|2,0,0]=4 3295 B15R1.35 CCCCCOCCOc1ccccc1 7a_100000210253_100000184471 [1,0,1,0,0,0|2,0,0]=4 3296 B15R1.35 CCCCCOCCOc1ccccc1 7a_100000210260_100000210326 [1,0,1,0,0,0|2,0,0]=4 3297 B15R1.35 CCCCCOCCSc1ccccc1 34a_100000210253_100000246102 [1,0,1,0,0,0|2,0,0]=4 3298 B15R1.35 CCCCCOCCSc1ccccc1 7a_100000210253_100000246102 [1,0,1,0,0,0|2,0,0]=4 3299 B15R1.35 CCCCCOCCSc1ccccc1 7a_100000230494_100000210326 [1,0,1,0,0,0|2,0,0]=4 3300 B15R1.35 CCCCCOCOCc1ccccc1 34a_100000210253_100000763385 [1,0,1,0,0,0|2,0,0]=4 3301 B15R1.35 CCCCCOCSCc1ccccc1 34a_100000210253_200011217039 [1,0,1,0,0,0|2,0,0]=4 3302 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000210326_100000211621 [1,0,1,0,0,0|1,0,0]=3 3303 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000211621_100000210326 [1,0,1,0,0,0|1,0,0]=3 3304 B15R1.35 CCCCCSCCOc1ccccc1 62a_100000184471_100000210326 [1,0,1,0,0,0|2,0,0]=4 3305 B15R1.35 CCCCCSCCOc1ccccc1 62a_100000210326_100000184471 [1,0,1,0,0,0|2,0,0]=4 3306 B15R1.35 CCCCCSCCSc1ccccc1 62a_100000210326_100000246102 [1,0,1,0,0,0|2,0,0]=4 3307 B15R1.35 CCCCCSCCSc1ccccc1 62a_100000246102_100000210326 [1,0,1,0,0,0|2,0,0]=4 3308 B15R1.35 CCCCCSCOCc1ccccc1 62a_100000210326_100000763385 [1,0,1,0,0,0|2,0,0]=4 3309 B15R1.35 CCCCCSCOCc1ccccc1 62a_100000763385_100000210326 [1,0,1,0,0,0|2,0,0]=4 3310 B15R1.35 CCCCCSCSCc1ccccc1 62a_100000210326_200011217039 [1,0,1,0,0,0|2,0,0]=4 3311 B15R1.35 CCCCCSCSCc1ccccc1 62a_200011217039_100000210326 [1,0,1,0,0,0|2,0,0]=4 3312 B15R1.35 CCCCNCCCCc1ccccc1 2230a_100000102301_100000701786 [1,0,1,0,0,0|1,0,0]=3 3313 B15R1.35 CCCCNCCCCc1ccccc1 2230a_100015280158_100000210211 [1,0,1,0,0,0|1,0,0]=3 3314 B15R1.35 CCCCNCCCCc1ccccc1 34a_100015280158_100000210210 [1,0,1,0,0,0|1,0,0]=3 3315 B15R1.35 CCCCNCCCCc1ccccc1 7a_106832991798_100000701786 [1,0,1,0,0,0|1,0,0]=3 3316 B15R1.35 CCCCNCCCCc1ccncc1 2230a_100000102301_100020630000 [1,0,1,0,0,0|2,0,0]=4 3317 B15R1.35 CCCCNCCCCc1ccncc1 7a_106832991798_100020630000 [1,0,1,0,0,0|2,0,0]=4 3318 B15R1.35 CCCCNCCCOc1ccccc1 2230a_100000102301_100000199009 [1,0,1,0,0,0|2,0,0]=4 3319 B15R1.35 CCCCNCCCOc1ccccc1 2230a_100000216521_100000210211 [1,0,1,0,0,0|2,0,0]=4 3320 B15R1.35 CCCCNCCCOc1ccccc1 34a_100000216521_100000210210 [1,0,1,0,0,0|2,0,0]=4 3321 B15R1.35 CCCCNCCCOc1ccccc1 7a_106832991798_100000199009 [1,0,1,0,0,0|2,0,0]=4 3322 B15R1.35 CCCCNCCCSc1ccccc1 2230a_100000102301_200011203293 [1,0,1,0,0,0|2,0,0]=4 3323 B15R1.35 CCCCNCCCSc1ccccc1 2230a_100000184639_100000210211 [1,0,1,0,0,0|2,0,0]=4 3324 B15R1.35 CCCCNCCCSc1ccccc1 7a_106832991798_200011203293 [1,0,1,0,0,0|2,0,0]=4 3325 B15R1.35 CCCCNCCOCc1ccccc1 2230a_100000102301_100000234347 [1,0,1,0,0,0|2,0,0]=4 3326 B15R1.35 CCCCNCCOCc1ccccc1 2230a_100000753106_100000210211 [1,0,1,0,0,0|2,0,0]=4 3327 B15R1.35 CCCCNCCOCc1ccccc1 34a_100000753106_100000210210 [1,0,1,0,0,0|2,0,0]=4 3328 B15R1.35 CCCCNCCOCc1ccccc1 7a_106832991798_100000234347 [1,0,1,0,0,0|2,0,0]=4 3329 B15R1.35 CCCCNCCSCc1ccccc1 2230a_100000102301_200011297719 [1,0,1,0,0,0|2,0,0]=4 3330 B15R1.35 CCCCNCCSCc1ccccc1 2230a_100000189534_100000210211 [1,0,1,0,0,0|2,0,0]=4 3331 B15R1.35 CCCCNCCSCc1ccccc1 34a_100000189534_100000210210 [1,0,1,0,0,0|2,0,0]=4 3332 B15R1.35 CCCCNCCSCc1ccccc1 7a_100000189534_100000210211 [1,0,1,0,0,0|2,0,0]=4 3333 B15R1.35 CCCCOCCCCc1ccccc1 34a_100000210227_100000701786 [1,0,1,0,0,0|1,0,0]=3 3334 B15R1.35 CCCCOCCCCc1ccccc1 34a_100000703073_100000210210 [1,0,1,0,0,0|1,0,0]=3 3335 B15R1.35 CCCCOCCCCc1ccccc1 7a_100000210227_100000701786 [1,0,1,0,0,0|1,0,0]=3 3336 B15R1.35 CCCCOCCCCc1ccccc1 7a_100000703073_100000210211 [1,0,1,0,0,0|1,0,0]=3 3337 B15R1.35 CCCCOCCCCc1ccccn1 34a_100012186994_100000210210 [1,0,1,0,0,0|2,0,0]=4 3338 B15R1.35 CCCCOCCCCc1cccnc1 34a_100012039607_100000210210 [1,0,1,0,0,0|2,0,0]=4 3339 B15R1.35 CCCCOCCCCc1cccnc1 7a_100012039607_100000210211 [1,0,1,0,0,0|2,0,0]=4 3340 B15R1.35 CCCCOCCCCc1ccncc1 34a_100011787716_100000210210 [1,0,1,0,0,0|2,0,0]=4 3341 B15R1.35 CCCCOCCCCc1ccncc1 7a_100000210227_100020630000 [1,0,1,0,0,0|2,0,0]=4 3342 B15R1.35 CCCCOCCCNc1ccccc1 34a_100000212590_100000210210 [1,0,1,0,0,0|2,0,0]=4 3343 B15R1.35 CCCCOCCCOc1ccccc1 34a_100000210227_100000199009 [1,0,1,0,0,0|2,0,0]=4 3344 B15R1.35 CCCCOCCCOc1ccccc1 34a_100011215863_100000210210 [1,0,1,0,0,0|2,0,0]=4 3345 B15R1.35 CCCCOCCCOc1ccccc1 7a_100000210227_100000199009 [1,0,1,0,0,0|2,0,0]=4 3346 B15R1.35 CCCCOCCCOc1ccccc1 7a_100011215863_100000210211 [1,0,1,0,0,0|2,0,0]=4 3347 B15R1.35 CCCCOCCCSc1ccccc1 34a_100000210227_200011203293 [1,0,1,0,0,0|2,0,0]=4 3348 B15R1.35 CCCCOCCCSc1ccccc1 7a_100000210227_200011203293 [1,0,1,0,0,0|2,0,0]=4 3349 B15R1.35 CCCCOCCNCc1ccccc1 2230a_100015324214_100000743108 [1,0,1,0,0,0|1,0,0]=3 3350 B15R1.35 CCCCOCCNCc1ccccc1 34a_100000180844_100000210210 [1,0,1,0,0,0|1,0,0]=3 3351 B15R1.35 CCCCOCCNCc1ccccc1 34a_100015324214_100000743108 [1,0,1,0,0,0|1,0,0]=3 3352 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210227_100000234347 [1,0,1,0,0,0|2,0,0]=4 3353 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210238_100015291786 [1,0,1,0,0,0|2,0,0]=4 3354 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210790_100000743108 [1,0,1,0,0,0|2,0,0]=4 3355 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000759325_100000210210 [1,0,1,0,0,0|2,0,0]=4 3356 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210227_100000234347 [1,0,1,0,0,0|2,0,0]=4 3357 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210238_100000211182 [1,0,1,0,0,0|2,0,0]=4 3358 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210790_100000743108 [1,0,1,0,0,0|2,0,0]=4 3359 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000759325_100000210211 [1,0,1,0,0,0|2,0,0]=4 3360 B15R1.35 CCCCOCCSCc1ccccc1 34a_100000210227_200011297719 [1,0,1,0,0,0|2,0,0]=4 3361 B15R1.35 CCCCOCCSCc1ccccc1 34a_100011205989_100000210210 [1,0,1,0,0,0|2,0,0]=4 3362 B15R1.35 CCCCOCCSCc1ccccc1 62a_100000211182_100000743108 [1,0,1,0,0,0|2,0,0]=4 3363 B15R1.35 CCCCOCCSCc1ccccc1 62a_100000743108_100015291786 [1,0,1,0,0,0|2,0,0]=4 3364 B15R1.35 CCCCOCCSCc1ccccc1 7a_100011205989_100000210211 [1,0,1,0,0,0|2,0,0]=4 3365 B15R1.35 CCCCOCNCCc1ccccc1 2230a_100000106460_100011995733 [1,0,1,0,0,0|1,0,0]=3 3366 B15R1.35 CCCCOCNCCc1ccccc1 34a_100000106460_100011995733 [1,0,1,0,0,0|1,0,0]=3 3367 B15R1.35 CCCCOCNCCc1cccnc1 2230a_100000736294_100011995733 [1,0,1,0,0,0|2,0,0]=4 3368 B15R1.35 CCCCOCOCCc1ccccc1 34a_100000210268_100011995733 [1,0,1,0,0,0|2,0,0]=4 3369 B15R1.35 CCCCOCSCCc1ccccc1 62a_100000765856_100011995733 [1,0,1,0,0,0|2,0,0]=4 3370 B15R1.35 CCCCOCSCCc1ccccc1 62a_100011995733_100011218657 [1,0,1,0,0,0|2,0,0]=4 3371 B15R1.35 CCCCSCCCCc1ccccc1 62a_100000210211_100000701786 [1,0,1,0,0,0|1,0,0]=3 3372 B15R1.35 CCCCSCCCCc1ccccc1 62a_100000701786_100000210210 [1,0,1,0,0,0|1,0,0]=3 3373 B15R1.35 CCCCSCCCCc1ccncc1 62a_100000210211_100020630000 [1,0,1,0,0,0|2,0,0]=4 3374 B15R1.35 CCCCSCCCCc1ccncc1 62a_100020630000_100000210210 [1,0,1,0,0,0|2,0,0]=4 3375 B15R1.35 CCCCSCCCOc1ccccc1 62a_100000199009_100000210210 [1,0,1,0,0,0|2,0,0]=4 3376 B15R1.35 CCCCSCCCOc1ccccc1 62a_100000210211_100000199009 [1,0,1,0,0,0|2,0,0]=4 3377 B15R1.35 CCCCSCCCSc1ccccc1 62a_100000210211_200011203293 [1,0,1,0,0,0|2,0,0]=4 3378 B15R1.35 CCCCSCCCSc1ccccc1 62a_200011203293_100000210210 [1,0,1,0,0,0|2,0,0]=4 3379 B15R1.35 CCCCSCCNCc1ccccc1 207a_100025743550_100015611070 [1,0,1,0,0,0|1,0,0]=3 3380 B15R1.35 CCCCSCCNCc1ccccc1 2230a_100025743550_100015291786 [1,0,1,0,0,0|1,0,0]=3 3381 B15R1.35 CCCCSCCNCc1ccccc1 270004a_100025743550_100015611070 [1,0,1,0,0,0|1,0,0]=3 3382 B15R1.35 CCCCSCCNCc1ccccn1 207a_100025743550_100000209966 [1,0,1,0,0,0|2,0,0]=4 3383 B15R1.35 CCCCSCCNCc1ccccn1 2230a_100025743550_100000721315 [1,0,1,0,0,0|2,0,0]=4 3384 B15R1.35 CCCCSCCNCc1ccccn1 270004a_100025743550_100000209966 [1,0,1,0,0,0|2,0,0]=4 3385 B15R1.35 CCCCSCCNCc1cccnc1 207a_100025743550_100000209961 [1,0,1,0,0,0|2,0,0]=4 3386 B15R1.35 CCCCSCCNCc1cccnc1 2230a_100025743550_100000741622 [1,0,1,0,0,0|2,0,0]=4 3387 B15R1.35 CCCCSCCNCc1cccnc1 270004a_100025743550_100000209961 [1,0,1,0,0,0|2,0,0]=4 3388 B15R1.35 CCCCSCCNCc1ccncc1 207a_100025743550_100000186114 [1,0,1,0,0,0|2,0,0]=4 3389 B15R1.35 CCCCSCCNCc1ccncc1 2230a_100025743550_100015193705 [1,0,1,0,0,0|2,0,0]=4 3390 B15R1.35 CCCCSCCOCc1ccccc1 34a_200000230436_100015291786 [1,0,1,0,0,0|2,0,0]=4 3391 B15R1.35 CCCCSCCOCc1ccccc1 62a_100000210211_100000234347 [1,0,1,0,0,0|2,0,0]=4 3392 B15R1.35 CCCCSCCOCc1ccccc1 62a_100000234347_100000210210 [1,0,1,0,0,0|2,0,0]=4 3393 B15R1.35 CCCCSCCOCc1ccccc1 7a_200000230436_100000211182 [1,0,1,0,0,0|2,0,0]=4 3394 B15R1.35 CCCCSCCSCc1ccccc1 62a_100000210211_200011297719 [1,0,1,0,0,0|2,0,0]=4 3395 B15R1.35 CCCCSCCSCc1ccccc1 62a_200011297719_100000210210 [1,0,1,0,0,0|2,0,0]=4 3396 B15R1.35 CCCNCCCCCc1ccccc1 2230a_100000750932_100000210303 [1,0,1,0,0,0|1,0,0]=3 3397 B15R1.35 CCCNCCCCCc1ccccc1 34a_100000750932_100000210303 [1,0,1,0,0,0|1,0,0]=3 3398 B15R1.35 CCCNCCCOCc1ccccc1 2230a_200000206031_100000210303 [1,0,1,0,0,0|2,0,0]=4 3399 B15R1.35 CCCNCCCOCc1ccccc1 34a_200000206031_100000210303 [1,0,1,0,0,0|2,0,0]=4 3400 B15R1.35 CCCOCCCCCc1ccccc1 34a_100000210258_200011217138 [1,0,1,0,0,0|1,0,0]=3 3401 B15R1.35 CCCOCCCCCc1ccccc1 34a_200011219639_100000210303 [1,0,1,0,0,0|1,0,0]=3 3402 B15R1.35 CCCOCCCCCc1ccccc1 7a_200011219639_100000210303 [1,0,1,0,0,0|1,0,0]=3 3403 B15R1.35 CCCOCCCCOc1ccccc1 34a_100000210258_100011215240 [1,0,1,0,0,0|2,0,0]=4 3404 B15R1.35 CCCOCCCCOc1ccccc1 34a_100000752354_100000210303 [1,0,1,0,0,0|2,0,0]=4 3405 B15R1.35 CCCOCCCCOc1ccccc1 7a_100000752354_100000210303 [1,0,1,0,0,0|2,0,0]=4 3406 B15R1.35 CCCOCCCNCc1ccccc1 207a_100011217757_100015611070 [1,0,1,0,0,0|1,0,0]=3 3407 B15R1.35 CCCOCCCNCc1ccccc1 2230a_100011217757_100015291786 [1,0,1,0,0,0|1,0,0]=3 3408 B15R1.35 CCCOCCCNCc1ccccc1 270004a_100011217757_100015611070 [1,0,1,0,0,0|1,0,0]=3 3409 B15R1.35 CCCOCCCNCc1ccccc1 34a_100000185501_100000210303 [1,0,1,0,0,0|1,0,0]=3 3410 B15R1.35 CCCOCCCNCc1ccccc1 34a_100011217757_100015291786 [1,0,1,0,0,0|1,0,0]=3 3411 B15R1.35 CCCOCCCNCc1ccccn1 207a_100011217757_100000209966 [1,0,1,0,0,0|2,0,0]=4 3412 B15R1.35 CCCOCCCNCc1ccccn1 2230a_100011217757_100000721315 [1,0,1,0,0,0|2,0,0]=4 3413 B15R1.35 CCCOCCCNCc1ccccn1 270004a_100011217757_100000209966 [1,0,1,0,0,0|2,0,0]=4 3414 B15R1.35 CCCOCCCNCc1ccccn1 34a_100011217757_100000721315 [1,0,1,0,0,0|2,0,0]=4 3415 B15R1.35 CCCOCCCNCc1cccnc1 207a_100011217757_100000209961 [1,0,1,0,0,0|2,0,0]=4 3416 B15R1.35 CCCOCCCNCc1cccnc1 2230a_100011217757_100000741622 [1,0,1,0,0,0|2,0,0]=4 3417 B15R1.35 CCCOCCCNCc1cccnc1 270004a_100011217757_100000209961 [1,0,1,0,0,0|2,0,0]=4 3418 B15R1.35 CCCOCCCNCc1cccnc1 34a_100011217757_100000733263 [1,0,1,0,0,0|2,0,0]=4 3419 B15R1.35 CCCOCCCNCc1ccncc1 207a_100011217757_100000186114 [1,0,1,0,0,0|2,0,0]=4 3420 B15R1.35 CCCOCCCNCc1ccncc1 2230a_100011217757_100015193705 [1,0,1,0,0,0|2,0,0]=4 3421 B15R1.35 CCCOCCCOCc1ccccc1 34a_100000210258_100011215529 [1,0,1,0,0,0|2,0,0]=4 3422 B15R1.35 CCCOCCCOCc1ccccc1 34a_100000691849_100000210303 [1,0,1,0,0,0|2,0,0]=4 3423 B15R1.35 CCCOCCCOCc1ccccc1 7a_100000691849_100000210303 [1,0,1,0,0,0|2,0,0]=4 3424 B15R1.35 CCCOCCNCCc1ccccc1 2230a_100000106460_100011215938 [1,0,1,0,0,0|1,0,0]=3 3425 B15R1.35 CCCOCCNCCc1ccccc1 2230a_100161115042_100000765856 [1,0,1,0,0,0|1,0,0]=3 3426 B15R1.35 CCCOCCNCCc1ccccc1 34a_100000106460_100011215938 [1,0,1,0,0,0|1,0,0]=3 3427 B15R1.35 CCCOCCNCCc1ccccc1 34a_100161115042_100000765856 [1,0,1,0,0,0|1,0,0]=3 3428 B15R1.35 CCCOCCNCCc1ccccn1 2230a_100161115042_100015183660 [1,0,1,0,0,0|2,0,0]=4 3429 B15R1.35 CCCOCCNCCc1cccnc1 2230a_100000736294_100011215938 [1,0,1,0,0,0|2,0,0]=4 3430 B15R1.35 CCCOCCNCCc1cccnc1 2230a_100161115042_200011713674 [1,0,1,0,0,0|2,0,0]=4 3431 B15R1.35 CCCOCCNCCc1ccncc1 2230a_100161115042_100000723409 [1,0,1,0,0,0|2,0,0]=4 3432 B15R1.35 CCCOCCNCSc1ccccc1 2230a_100161115042_100011218342 [1,0,1,0,0,0|2,0,0]=4 3433 B15R1.35 CCCOCCOCCc1ccccc1 34a_100000210268_100011215938 [1,0,1,0,0,0|2,0,0]=4 3434 B15R1.35 CCCOCCOCCc1ccccc1 34a_100000752267_100000765856 [1,0,1,0,0,0|2,0,0]=4 3435 B15R1.35 CCCOCCOCCc1ccccc1 7a_100000210268_100011215938 [1,0,1,0,0,0|2,0,0]=4 3436 B15R1.35 CCCOCCOCCc1ccccc1 7a_100000752267_100000765856 [1,0,1,0,0,0|2,0,0]=4 3437 B15R1.35 CCCOCCSCCc1ccccc1 62a_100000765856_100011215938 [1,0,1,0,0,0|2,0,0]=4 3438 B15R1.35 CCCOCCSCCc1ccccc1 62a_100011215938_100011218657 [1,0,1,0,0,0|2,0,0]=4 3439 B15R1.35 CCCSCCCCCc1ccccc1 62a_100000210303_200011217138 [1,0,1,0,0,0|1,0,0]=3 3440 B15R1.35 CCCSCCCCCc1ccccc1 62a_200011217138_100000210303 [1,0,1,0,0,0|1,0,0]=3 3441 B15R1.35 CCCSCCCCOc1ccccc1 62a_100000210303_100011215240 [1,0,1,0,0,0|2,0,0]=4 3442 B15R1.35 CCCSCCCCOc1ccccc1 62a_100011215240_100000210303 [1,0,1,0,0,0|2,0,0]=4 3443 B15R1.35 CCCSCCCOCc1ccccc1 62a_100000210303_100011215529 [1,0,1,0,0,0|2,0,0]=4 3444 B15R1.35 CCCSCCCOCc1ccccc1 62a_100011215529_100000210303 [1,0,1,0,0,0|2,0,0]=4 3445 B15R1.35 CCCSCCNCCc1ccccc1 2230a_100020603323_100000765856 [1,0,1,0,0,0|1,0,0]=3 3446 B15R1.35 CCCSCCNCCc1ccccn1 2230a_100020603323_100015183660 [1,0,1,0,0,0|2,0,0]=4 3447 B15R1.35 CCCSCCNCCc1cccnc1 2230a_100020603323_200011713674 [1,0,1,0,0,0|2,0,0]=4 3448 B15R1.35 CCCSCCNCCc1ccncc1 2230a_100020603323_100000723409 [1,0,1,0,0,0|2,0,0]=4 3449 B15R1.35 CCCSCCNCSc1ccccc1 2230a_100020603323_100011218342 [1,0,1,0,0,0|2,0,0]=4 3450 B15R1.35 CCCSCCOCCc1ccccc1 34a_200000230433_100000765856 [1,0,1,0,0,0|2,0,0]=4 3451 B15R1.35 CCCSCCOCCc1ccccc1 7a_200000230433_100000765856 [1,0,1,0,0,0|2,0,0]=4 3452 B15R1.35 CCNCCCCCCc1ccccc1 2230a_100015525214_100011218729 [1,0,1,0,0,0|1,0,0]=3 3453 B15R1.35 CCNCCCCCOc1ccccc1 2230a_100015525214_200011777167 [1,0,1,0,0,0|2,0,0]=4 3454 B15R1.35 CCNCCCCOCc1ccccc1 2230a_100000748060_100000210202 [1,0,1,0,0,0|2,0,0]=4 3455 B15R1.35 CCNCCCCOCc1ccccc1 2230a_100015525214_100011219843 [1,0,1,0,0,0|2,0,0]=4 3456 B15R1.35 CCNCCCCOCc1ccccc1 34a_100000748060_100000210202 [1,0,1,0,0,0|2,0,0]=4 3457 B15R1.35 CCOCCCCCCc1ccccc1 34a_100011215581_100000210202 [1,0,1,0,0,0|1,0,0]=3 3458 B15R1.35 CCOCCCCCCc1ccccc1 34a_100121572206_100011218729 [1,0,1,0,0,0|1,0,0]=3 3459 B15R1.35 CCOCCCCCCc1ccccc1 7a_100011215581_100000210202 [1,0,1,0,0,0|1,0,0]=3 3460 B15R1.35 CCOCCCCCOc1ccccc1 34a_100121572206_200011777167 [1,0,1,0,0,0|2,0,0]=4 3461 B15R1.35 CCOCCCCNCc1ccccc1 34a_100000186360_100000210202 [1,0,1,0,0,0|1,0,0]=3 3462 B15R1.35 CCOCCCCOCc1ccccc1 34a_100011215074_100000210202 [1,0,1,0,0,0|2,0,0]=4 3463 B15R1.35 CCOCCCCOCc1ccccc1 34a_100121572206_100011219843 [1,0,1,0,0,0|2,0,0]=4 3464 B15R1.35 CCOCCCCOCc1ccccc1 7a_100011215074_100000210202 [1,0,1,0,0,0|2,0,0]=4 3465 B15R1.35 CCOCCCNCCc1ccccc1 2230a_100000106460_100012232248 [1,0,1,0,0,0|1,0,0]=3 3466 B15R1.35 CCOCCCNCCc1ccccc1 2230a_100000210961_100000765856 [1,0,1,0,0,0|1,0,0]=3 3467 B15R1.35 CCOCCCNCCc1ccccc1 34a_100000106460_100012232248 [1,0,1,0,0,0|1,0,0]=3 3468 B15R1.35 CCOCCCNCCc1ccccc1 34a_100000210961_100000765856 [1,0,1,0,0,0|1,0,0]=3 3469 B15R1.35 CCOCCCNCCc1ccccn1 2230a_100000210961_100015183660 [1,0,1,0,0,0|2,0,0]=4 3470 B15R1.35 CCOCCCNCCc1cccnc1 2230a_100000210961_200011713674 [1,0,1,0,0,0|2,0,0]=4 3471 B15R1.35 CCOCCCNCCc1cccnc1 2230a_100000736294_100012232248 [1,0,1,0,0,0|2,0,0]=4 3472 B15R1.35 CCOCCCNCCc1ccncc1 2230a_100000210961_100000723409 [1,0,1,0,0,0|2,0,0]=4 3473 B15R1.35 CCOCCCNCSc1ccccc1 2230a_100000210961_100011218342 [1,0,1,0,0,0|2,0,0]=4 3474 B15R1.35 CCOCCCOCCc1ccccc1 34a_100000210268_100012232248 [1,0,1,0,0,0|2,0,0]=4 3475 B15R1.35 CCOCCCOCCc1ccccc1 34a_100000757476_100000765856 [1,0,1,0,0,0|2,0,0]=4 3476 B15R1.35 CCOCCCOCCc1ccccc1 7a_100000210268_100012232248 [1,0,1,0,0,0|2,0,0]=4 3477 B15R1.35 CCOCCCOCCc1ccccc1 7a_100000757476_100000765856 [1,0,1,0,0,0|2,0,0]=4 3478 B15R1.35 CCOCCCSCCc1ccccc1 62a_100000765856_100012232248 [1,0,1,0,0,0|2,0,0]=4 3479 B15R1.35 CCOCCCSCCc1ccccc1 62a_100012232248_100011218657 [1,0,1,0,0,0|2,0,0]=4 3480 B15R1.35 CCOCCNCCCc1ccccc1 2230a_100000211184_100011215890 [1,0,1,0,0,0|2,0,0]=4 3481 B15R1.35 CCOCCNCCCc1ccccc1 2230a_102516460346_100000211621 [1,0,1,0,0,0|2,0,0]=4 3482 B15R1.35 CCOCCNCCCc1ccccc1 34a_100000211184_100000210147 [1,0,1,0,0,0|2,0,0]=4 3483 B15R1.35 CCOCCNCCCc1ccccc1 34a_102516460346_100000211621 [1,0,1,0,0,0|2,0,0]=4 3484 B15R1.35 CCOCCOCCCc1ccccc1 34a_100000210136_100000211621 [1,0,1,0,0,0|2,0,0]=4 3485 B15R1.35 CCOCCOCCCc1ccccc1 34a_100000210828_100000210147 [1,0,1,0,0,0|2,0,0]=4 3486 B15R1.35 CCOCCOCCCc1ccccc1 7a_100000210136_100000211621 [1,0,1,0,0,0|2,0,0]=4 3487 B15R1.35 CCOCCOCCCc1ccccc1 7a_100000210828_100011215890 [1,0,1,0,0,0|2,0,0]=4 3488 B15R1.35 CCOCCSCCCc1ccccc1 62a_100000210147_100000211621 [1,0,1,0,0,0|2,0,0]=4 3489 B15R1.35 CCOCCSCCCc1ccccc1 62a_100000211621_100011215890 [1,0,1,0,0,0|2,0,0]=4 3490 B15R1.35 CCOCSCCCCc1ccccc1 62a_100000701786_100000739092 [1,0,1,0,0,0|2,0,0]=4 3491 B15R1.35 CCOCSCCCCc1ccccc1 62a_100000739092_100000701786 [1,0,1,0,0,0|2,0,0]=4 3492 B15R1.35 CCSCCCCCCc1ccccc1 62a_100000210202_100011218729 [1,0,1,0,0,0|1,0,0]=3 3493 B15R1.35 CCSCCCCCCc1ccccc1 62a_100011218729_100000210202 [1,0,1,0,0,0|1,0,0]=3 3494 B15R1.35 CCSCCCCCOc1ccccc1 62a_100000210202_200011777167 [1,0,1,0,0,0|2,0,0]=4 3495 B15R1.35 CCSCCCCCOc1ccccc1 62a_200011777167_100000210202 [1,0,1,0,0,0|2,0,0]=4 3496 B15R1.35 CCSCCCCOCc1ccccc1 62a_100000210202_100011219843 [1,0,1,0,0,0|2,0,0]=4 3497 B15R1.35 CCSCCCCOCc1ccccc1 62a_100011219843_100000210202 [1,0,1,0,0,0|2,0,0]=4 3498 B15R1.35 CCSCCCOCCc1ccccc1 34a_100011216438_100000765856 [1,0,1,0,0,0|2,0,0]=4 3499 B15R1.35 CCSCCCOCCc1ccccc1 7a_100011216438_100000765856 [1,0,1,0,0,0|2,0,0]=4 3500 B15R1.35 CCSCCNCCCc1ccccc1 2230a_100000106463_100000211621 [1,0,1,0,0,0|2,0,0]=4 3501 B15R1.35 CCSCCNCCCc1ccccc1 2230a_100000211184_100000757381 [1,0,1,0,0,0|2,0,0]=4 3502 B15R1.35 CCSCCNCCCc1ccccc1 34a_100000211184_100000757381 [1,0,1,0,0,0|2,0,0]=4 3503 B15R1.35 CCSCCOCCCc1ccccc1 34a_100000210828_100000757381 [1,0,1,0,0,0|2,0,0]=4 3504 B15R1.35 CCSCCOCCCc1ccccc1 34a_100000212035_100000211621 [1,0,1,0,0,0|2,0,0]=4 3505 B15R1.35 CCSCCOCCCc1ccccc1 7a_100000210828_100000757381 [1,0,1,0,0,0|2,0,0]=4 3506 B15R1.35 CCSCCOCCCc1ccccc1 7a_100000212035_100000211621 [1,0,1,0,0,0|2,0,0]=4 3507 B15R1.35 CCSCCSCCCc1ccccc1 62a_100000211621_100000757381 [1,0,1,0,0,0|2,0,0]=4 3508 B15R1.35 CCSCCSCCCc1ccccc1 62a_100000757381_100000211621 [1,0,1,0,0,0|2,0,0]=4 3509 B15R1.35 CNCCCCCCCc1ccccc1 2230a_106832991635_200009813472 [1,0,1,0,0,0|1,0,0]=3 3510 B15R1.35 CNCCCCCCCc1ccccc1 34a_100102657272_200009813472 [1,0,1,0,0,0|1,0,0]=3 3511 B15R1.35 CNCCCCCCCc1ccccc1 7a_106832991635_200009813472 [1,0,1,0,0,0|1,0,0]=3 3512 B15R1.35 CNCCCCCCOc1ccccc1 2230a_106832991635_200012047174 [1,0,1,0,0,0|2,0,0]=4 3513 B15R1.35 CNCCCCCCOc1ccccc1 34a_100102657272_200012047174 [1,0,1,0,0,0|2,0,0]=4 3514 B15R1.35 CNCCCCCCOc1ccccc1 7a_106832991635_200012047174 [1,0,1,0,0,0|2,0,0]=4 3515 B15R1.35 CNCCCCCOCc1ccccc1 2230a_106832991635_100012032903 [1,0,1,0,0,0|2,0,0]=4 3516 B15R1.35 CNCCCCCOCc1ccccc1 34a_100000722520_100015291786 [1,0,1,0,0,0|2,0,0]=4 3517 B15R1.35 CNCCCCCOCc1ccccc1 34a_100102657272_100012032903 [1,0,1,0,0,0|2,0,0]=4 3518 B15R1.35 CNCCCCCOCc1ccccc1 7a_106832991635_100012032903 [1,0,1,0,0,0|2,0,0]=4 3519 B15R1.35 CNCCCOCCCc1ccccc1 34a_100000213112_100000211621 [1,0,1,0,0,0|2,0,0]=4 3520 B15R1.35 COCCCCCCCc1ccccc1 34a_100000042756_200000210301 [1,0,1,0,0,0|1,0,0]=3 3521 B15R1.35 COCCCCCCCc1ccccc1 34a_100138415774_200009813472 [1,0,1,0,0,0|1,0,0]=3 3522 B15R1.35 COCCCCCCCc1ccccc1 7a_100000042756_200000210301 [1,0,1,0,0,0|1,0,0]=3 3523 B15R1.35 COCCCCCCNc1ccccc1 34a_100000106764_100011998445 [1,0,1,0,0,0|2,0,0]=4 3524 B15R1.35 COCCCCCCOc1ccccc1 34a_100000210340_100011998445 [1,0,1,0,0,0|2,0,0]=4 3525 B15R1.35 COCCCCCCOc1ccccc1 34a_100138415774_200012047174 [1,0,1,0,0,0|2,0,0]=4 3526 B15R1.35 COCCCCCCOc1ccccc1 7a_100000210340_100011998445 [1,0,1,0,0,0|2,0,0]=4 3527 B15R1.35 COCCCCCCSc1ccccc1 62a_100000719477_100011998445 [1,0,1,0,0,0|2,0,0]=4 3528 B15R1.35 COCCCCCCSc1ccccc1 62a_100011998445_100000041952 [1,0,1,0,0,0|2,0,0]=4 3529 B15R1.35 COCCCCCNCc1ccccc1 207a_100000747528_100015611070 [1,0,1,0,0,0|1,0,0]=3 3530 B15R1.35 COCCCCCNCc1ccccc1 2230a_100000747528_100015291786 [1,0,1,0,0,0|1,0,0]=3 3531 B15R1.35 COCCCCCNCc1ccccc1 270004a_100000747528_100015611070 [1,0,1,0,0,0|1,0,0]=3 3532 B15R1.35 COCCCCCNCc1ccccc1 34a_100000747528_100015291786 [1,0,1,0,0,0|1,0,0]=3 3533 B15R1.35 COCCCCCNCc1ccccc1 34a_100011629535_200000210301 [1,0,1,0,0,0|1,0,0]=3 3534 B15R1.35 COCCCCCNCc1ccccn1 207a_100000747528_100000209966 [1,0,1,0,0,0|2,0,0]=4 3535 B15R1.35 COCCCCCNCc1ccccn1 2230a_100000747528_100000721315 [1,0,1,0,0,0|2,0,0]=4 3536 B15R1.35 COCCCCCNCc1ccccn1 270004a_100000747528_100000209966 [1,0,1,0,0,0|2,0,0]=4 3537 B15R1.35 COCCCCCNCc1ccccn1 34a_100000747528_100000721315 [1,0,1,0,0,0|2,0,0]=4 3538 B15R1.35 COCCCCCNCc1cccnc1 207a_100000747528_100000209961 [1,0,1,0,0,0|2,0,0]=4 3539 B15R1.35 COCCCCCNCc1cccnc1 2230a_100000747528_100000741622 [1,0,1,0,0,0|2,0,0]=4 3540 B15R1.35 COCCCCCNCc1cccnc1 270004a_100000747528_100000209961 [1,0,1,0,0,0|2,0,0]=4 3541 B15R1.35 COCCCCCNCc1cccnc1 34a_100000747528_100000733263 [1,0,1,0,0,0|2,0,0]=4 3542 B15R1.35 COCCCCCNCc1ccncc1 207a_100000747528_100000186114 [1,0,1,0,0,0|2,0,0]=4 3543 B15R1.35 COCCCCCNCc1ccncc1 2230a_100000747528_100015193705 [1,0,1,0,0,0|2,0,0]=4 3544 B15R1.35 COCCCCCOCc1ccccc1 34a_100011215045_200000210301 [1,0,1,0,0,0|2,0,0]=4 3545 B15R1.35 COCCCCCOCc1ccccc1 34a_100138415774_100012032903 [1,0,1,0,0,0|2,0,0]=4 3546 B15R1.35 COCCCCCOCc1ccccc1 7a_100011215045_200000210301 [1,0,1,0,0,0|2,0,0]=4 3547 B15R1.35 COCCCCNCCc1ccccc1 2230a_100000106460_100000730899 [1,0,1,0,0,0|1,0,0]=3 3548 B15R1.35 COCCCCNCCc1ccccc1 34a_100000106460_100000755781 [1,0,1,0,0,0|1,0,0]=3 3549 B15R1.35 COCCCCNCCc1cccnc1 2230a_100000736294_100000730899 [1,0,1,0,0,0|2,0,0]=4 3550 B15R1.35 COCCCCOCCc1ccccc1 34a_100000210268_100000755781 [1,0,1,0,0,0|2,0,0]=4 3551 B15R1.35 COCCCCOCCc1ccccc1 34a_100000740925_100000765856 [1,0,1,0,0,0|2,0,0]=4 3552 B15R1.35 COCCCCOCCc1ccccc1 7a_100000210268_100000730899 [1,0,1,0,0,0|2,0,0]=4 3553 B15R1.35 COCCCCSCCc1ccccc1 62a_100000730899_100011218657 [1,0,1,0,0,0|2,0,0]=4 3554 B15R1.35 COCCCCSCCc1ccccc1 62a_100000765856_100000730899 [1,0,1,0,0,0|2,0,0]=4 3555 B15R1.35 COCCCNCCCc1ccccc1 2230a_100000211184_100000740836 [1,0,1,0,0,0|2,0,0]=4 3556 B15R1.35 COCCCNCCCc1ccccc1 34a_100000211184_100000740836 [1,0,1,0,0,0|2,0,0]=4 3557 B15R1.35 COCCCNCCCc1ccccc1 34a_100150723488_100000211621 [1,0,1,0,0,0|2,0,0]=4 3558 B15R1.35 COCCCOCCCc1ccccc1 34a_100000210828_100000740836 [1,0,1,0,0,0|2,0,0]=4 3559 B15R1.35 COCCCOCCCc1ccccc1 34a_100000740835_100000211621 [1,0,1,0,0,0|2,0,0]=4 3560 B15R1.35 COCCCOCCCc1ccccc1 7a_100000210828_100000740836 [1,0,1,0,0,0|2,0,0]=4 3561 B15R1.35 COCCCSCCCc1ccccc1 62a_100000211621_100000709357 [1,0,1,0,0,0|2,0,0]=4 3562 B15R1.35 COCCCSCCCc1ccccc1 62a_100000709357_100000211621 [1,0,1,0,0,0|2,0,0]=4 3563 B15R1.35 COCCNCCCCc1ccccc1 2230a_100000209980_100000701786 [1,0,1,0,0,0|2,0,0]=4 3564 B15R1.35 COCCNCCCCc1ccccc1 2230a_100015280158_100011201679 [1,0,1,0,0,0|2,0,0]=4 3565 B15R1.35 COCCNCCCCc1ccccc1 34a_100015280158_100011201679 [1,0,1,0,0,0|2,0,0]=4 3566 B15R1.35 COCCOCCCCc1ccccc1 34a_100000210237_100000701786 [1,0,1,0,0,0|2,0,0]=4 3567 B15R1.35 COCCOCCCCc1ccccc1 34a_100000703073_100011201679 [1,0,1,0,0,0|2,0,0]=4 3568 B15R1.35 COCCOCCCCc1ccccc1 7a_100000703073_100000233755 [1,0,1,0,0,0|2,0,0]=4 3569 B15R1.35 COCCOCCNCc1ccccc1 207a_100000745349_100015611070 [1,0,1,0,0,0|2,0,0]=4 3570 B15R1.35 COCCOCCNCc1ccccc1 2230a_100000745349_100015291786 [1,0,1,0,0,0|2,0,0]=4 3571 B15R1.35 COCCOCCNCc1ccccc1 2230a_100015324214_100000695917 [1,0,1,0,0,0|2,0,0]=4 3572 B15R1.35 COCCOCCNCc1ccccc1 270004a_100000745349_100015611070 [1,0,1,0,0,0|2,0,0]=4 3573 B15R1.35 COCCOCCNCc1ccccc1 34a_100000180844_100011201679 [1,0,1,0,0,0|2,0,0]=4 3574 B15R1.35 COCCOCCNCc1ccccc1 34a_100000745349_100015291786 [1,0,1,0,0,0|2,0,0]=4 3575 B15R1.35 COCCOCCNCc1ccccc1 34a_100015324214_100000695917 [1,0,1,0,0,0|2,0,0]=4 3576 B15R1.35 COCCOCNCCc1ccccc1 2230a_100000106460_100000231047 [1,0,1,0,0,0|2,0,0]=4 3577 B15R1.35 COCCSCCCCc1ccccc1 62a_100000233755_100000701786 [1,0,1,0,0,0|2,0,0]=4 3578 B15R1.35 COCCSCCCCc1ccccc1 62a_100000701786_100000233755 [1,0,1,0,0,0|2,0,0]=4 3579 B15R1.35 COCNCCCCCc1ccccc1 2230a_100000750932_100000766300 [1,0,1,0,0,0|2,0,0]=4 3580 B15R1.35 COCSCCCCCc1ccccc1 62a_100000766300_200011217138 [1,0,1,0,0,0|2,0,0]=4 3581 B15R1.35 COCSCCCCCc1ccccc1 62a_200011217138_100000766300 [1,0,1,0,0,0|2,0,0]=4 3582 B15R1.35 CSCCCCCCCc1ccccc1 62a_200000210301_200009813472 [1,0,1,0,0,0|1,0,0]=3 3583 B15R1.35 CSCCCCCCOc1ccccc1 62a_200000210301_200012047174 [1,0,1,0,0,0|2,0,0]=4 3584 B15R1.35 CSCCCCCOCc1ccccc1 62a_100012032903_200000210301 [1,0,1,0,0,0|2,0,0]=4 3585 B15R1.35 CSCCCCCOCc1ccccc1 62a_200000210301_100012032903 [1,0,1,0,0,0|2,0,0]=4 3586 B15R1.35 CSCCCCOCCc1ccccc1 34a_100011217163_100000765856 [1,0,1,0,0,0|2,0,0]=4 3587 B15R1.35 CSCCCCOCCc1ccccc1 7a_100011217163_100000765856 [1,0,1,0,0,0|2,0,0]=4 3588 B15R1.35 CSCCCNCCCc1ccccc1 2230a_100000749238_100000211621 [1,0,1,0,0,0|2,0,0]=4 3589 B15R1.35 CSCCCOCCCc1ccccc1 34a_100000690336_100000211621 [1,0,1,0,0,0|2,0,0]=4 3590 B15R1.35 CSCCCOCCCc1ccccc1 7a_100000690336_100000211621 [1,0,1,0,0,0|2,0,0]=4 3591 B15R1.35 CSCCNCCCCc1ccccc1 2230a_100015280158_100000751147 [1,0,1,0,0,0|2,0,0]=4 3592 B15R1.35 CSCCNCCCCc1ccccc1 2230a_100020590264_100000701786 [1,0,1,0,0,0|2,0,0]=4 3593 B15R1.35 CSCCNCCCCc1ccccc1 34a_100015280158_100000212216 [1,0,1,0,0,0|2,0,0]=4 3594 B15R1.35 CSCCOCCCCc1ccccc1 34a_100000230434_100000701786 [1,0,1,0,0,0|2,0,0]=4 3595 B15R1.35 CSCCOCCCCc1ccccc1 34a_100000703073_100000212216 [1,0,1,0,0,0|2,0,0]=4 3596 B15R1.35 CSCCOCCCCc1ccccc1 7a_100000230434_100000701786 [1,0,1,0,0,0|2,0,0]=4 3597 B15R1.35 CSCCOCCCCc1ccccc1 7a_100000703073_100000212216 [1,0,1,0,0,0|2,0,0]=4 3598 B15R1.35 CSCCOCCNCc1ccccc1 34a_100000180844_100000212216 [1,0,1,0,0,0|2,0,0]=4 3599 B15R1.35 CSCCSCCCCc1ccccc1 62a_100000212216_100000701786 [1,0,1,0,0,0|2,0,0]=4 3600 B15R1.35 CSCCSCCCCc1ccccc1 62a_100000701786_100000751147 [1,0,1,0,0,0|2,0,0]=4 3601 B15R1.35 CSCNCCCCCc1ccccc1 2230a_100000750932_100011218213 [1,0,1,0,0,0|2,0,0]=4 3602 B15R1.35 CSCNCCCCCc1ccccc1 34a_100000750932_100011218213 [1,0,1,0,0,0|2,0,0]=4 3603 B15R1.35 CSCOCCCCCc1ccccc1 34a_200011219639_100011218213 [1,0,1,0,0,0|2,0,0]=4 3604 B15R1.35 CSCOCCCNCc1ccccc1 34a_100000185501_100011218213 [1,0,1,0,0,0|2,0,0]=4 3605 B15R1.35 CSCSCCCCCc1ccccc1 62a_100011218213_200011217138 [1,0,1,0,0,0|2,0,0]=4 3606 B15R1.35 CSCSCCCCCc1ccccc1 62a_200011217138_100011218213 [1,0,1,0,0,0|2,0,0]=4 3607 B15R1.35 ClCCCCCCOCc1ccccc1 34a_100000766143_100015291786 [1,0,1,0,0,0|2,0,0]=4 3608 B15R1.35 ClCCCCCCOCc1ccccc1 7a_100000766143_100000211182 [1,0,1,0,0,0|2,0,0]=4 3609 B15R1.35 ClCCCCCOCCc1ccccc1 34a_100000746330_100000765856 [1,0,1,0,0,0|2,0,0]=4 3610 B15R1.35 ClCCCCCOCCc1ccccc1 7a_100000746330_100000765856 [1,0,1,0,0,0|2,0,0]=4 3611 B15R1.35 ClCCCCOCCCc1ccccc1 34a_100000210776_100000211621 [1,0,1,0,0,0|2,0,0]=4 3612 B15R1.35 ClCCCCOCCCc1ccccc1 7a_100000210776_100000211621 [1,0,1,0,0,0|2,0,0]=4 3613 B15R1.35 ClCCCOCCCCc1ccccc1 34a_100000230001_100000701786 [1,0,1,0,0,0|2,0,0]=4 3614 B15R1.35 FCCCCCCNCc1ccccc1 2230a_100015324214_100015922095 [1,0,1,0,0,0|1,0,0]=3 3615 B15R1.35 FCCCCCCNCc1ccccc1 34a_100015324214_100015922095 [1,0,1,0,0,0|1,0,0]=3 3616 B15R1.35 FCCCCCCOCc1ccccc1 34a_100000210790_100015922095 [1,0,1,0,0,0|2,0,0]=4 3617 B15R1.35 FCCCCCCOCc1ccccc1 34a_100000732779_100015291786 [1,0,1,0,0,0|2,0,0]=4 3618 B15R1.35 FCCCCCCOCc1ccccc1 7a_100000210790_100015922095 [1,0,1,0,0,0|2,0,0]=4 3619 B15R1.35 FCCCCCCOCc1ccccc1 7a_100000732779_100000211182 [1,0,1,0,0,0|2,0,0]=4 3620 B15R1.35 FCCCCCCSCc1ccccc1 62a_100000211182_100015922095 [1,0,1,0,0,0|2,0,0]=4 3621 B15R1.35 FCCCCCCSCc1ccccc1 62a_100015922095_100015291786 [1,0,1,0,0,0|2,0,0]=4 3622 B15R1.35 FCCCCCNCCc1ccccc1 2230a_100000106460_100000729378 [1,0,1,0,0,0|1,0,0]=3 3623 B15R1.35 FCCCCCNCCc1ccccc1 34a_100000106460_100000729378 [1,0,1,0,0,0|1,0,0]=3 3624 B15R1.35 FCCCCCNCCc1cccnc1 2230a_100000736294_100000729378 [1,0,1,0,0,0|2,0,0]=4 3625 B15R1.35 FCCCCCOCCc1ccccc1 34a_100000210268_100000729378 [1,0,1,0,0,0|2,0,0]=4 3626 B15R1.35 FCCCCCOCCc1ccccc1 7a_100000210268_100000729378 [1,0,1,0,0,0|2,0,0]=4 3627 B15R1.35 FCCCCCSCCc1ccccc1 62a_100000729378_100011218657 [1,0,1,0,0,0|2,0,0]=4 3628 B15R1.35 FCCCCCSCCc1ccccc1 62a_100000765856_100000729378 [1,0,1,0,0,0|2,0,0]=4 3629 B15R1.35 FCCCCNCCCc1ccccc1 2230a_100000211184_100000729493 [1,0,1,0,0,0|2,0,0]=4 3630 B15R1.35 FCCCCNCCCc1ccccc1 34a_100000211184_100000729493 [1,0,1,0,0,0|2,0,0]=4 3631 B15R1.35 FCCCCOCCCc1ccccc1 34a_100000210828_100000729493 [1,0,1,0,0,0|2,0,0]=4 3632 B15R1.35 FCCCCOCCCc1ccccc1 34a_100011995726_100000211621 [1,0,1,0,0,0|2,0,0]=4 3633 B15R1.35 FCCCCOCCCc1ccccc1 7a_100000210828_100000729493 [1,0,1,0,0,0|2,0,0]=4 3634 B15R1.35 FCCCCOCCCc1ccccc1 7a_100011995726_100000211621 [1,0,1,0,0,0|2,0,0]=4 3635 B15R1.35 FCCCCSCCCc1ccccc1 62a_100000211621_100000729493 [1,0,1,0,0,0|2,0,0]=4 3636 B15R1.35 FCCCCSCCCc1ccccc1 62a_100000729493_100000211621 [1,0,1,0,0,0|2,0,0]=4 3637 B15R1.35 FCCCNCCCCc1ccccc1 2230a_100015189416_100000701786 [1,0,1,0,0,0|2,0,0]=4 3638 B15R1.35 FCCCNCCCCc1ccccc1 2230a_100015280158_100011934791 [1,0,1,0,0,0|2,0,0]=4 3639 B15R1.35 FCCCNCCCCc1ccccc1 34a_100015189416_100000701786 [1,0,1,0,0,0|2,0,0]=4 3640 B15R1.35 FCCCNCCCCc1ccccc1 34a_100015280158_100011934791 [1,0,1,0,0,0|2,0,0]=4 3641 B15R1.35 FCCCOCCCCc1ccccc1 34a_100000703073_100011934791 [1,0,1,0,0,0|2,0,0]=4 3642 B15R1.35 FCCCOCCCCc1ccccc1 34a_100000759539_100000701786 [1,0,1,0,0,0|2,0,0]=4 3643 B15R1.35 FCCCOCCCCc1ccccc1 7a_100000703073_100011934791 [1,0,1,0,0,0|2,0,0]=4 3644 B15R1.35 FCCCOCCNCc1ccccc1 34a_100000180844_100011934791 [1,0,1,0,0,0|2,0,0]=4 3645 B15R1.35 FCCCSCCCCc1ccccc1 62a_100000701786_100011934791 [1,0,1,0,0,0|2,0,0]=4 3646 B15R1.35 FCCCSCCCCc1ccccc1 62a_100011934791_100000701786 [1,0,1,0,0,0|2,0,0]=4 3647 B15R1.35 FCCNCCCCCc1ccccc1 2230a_100000750932_100011217306 [1,0,1,0,0,0|2,0,0]=4 3648 B15R1.35 FCCNCCCCCc1ccccc1 34a_100000724931_200011217138 [1,0,1,0,0,0|2,0,0]=4 3649 B15R1.35 FCCNCCCCCc1ccccc1 34a_100000750932_100011217306 [1,0,1,0,0,0|2,0,0]=4 3650 B15R1.35 FCCOCCCCCc1ccccc1 34a_200011219639_100011217306 [1,0,1,0,0,0|2,0,0]=4 3651 B15R1.35 FCCOCCCCCc1ccccc1 7a_200011219639_100011217306 [1,0,1,0,0,0|2,0,0]=4 3652 B15R1.35 FCCOCCCNCc1ccccc1 34a_100000185501_100011217306 [1,0,1,0,0,0|2,0,0]=4 3653 B15R1.35 FCCSCCCCCc1ccccc1 62a_100011217306_200011217138 [1,0,1,0,0,0|2,0,0]=4 3654 B15R1.35 FCCSCCCCCc1ccccc1 62a_200011217138_100011217306 [1,0,1,0,0,0|2,0,0]=4 3655 B15R1.35 FCOCCCCCCc1ccccc1 34a_100011215581_100015361967 [1,0,1,0,0,0|2,0,0]=4 3656 B15R1.35 FCOCCCCCCc1ccccc1 7a_100011215581_100015361967 [1,0,1,0,0,0|2,0,0]=4 3657 B15R1.35 FCOCCCCNCc1ccccc1 34a_100000186360_100015361967 [1,0,1,0,0,0|2,0,0]=4 3658 B15R1.35 FCSCCCCCCc1ccccc1 62a_100011218729_100015361967 [1,0,1,0,0,0|2,0,0]=4 3659 B15R1.35 FCSCCCCCCc1ccccc1 62a_100015361967_100011218729 [1,0,1,0,0,0|2,0,0]=4 3660 B15R1.35 ICCCCCOCCc1ccccc1 34a_200012148887_100000765856 [1,0,1,0,0,0|2,0,0]=4 3661 B15R1.35 ICCCCCOCCc1ccccc1 7a_200012148887_100000765856 [1,0,1,0,0,0|2,0,0]=4 3662 B15R1.35 ICCCCOCCCc1ccccc1 34a_200012148704_100000211621 [1,0,1,0,0,0|2,0,0]=4 3663 B15R1.35 N#CCCCCCNCc1ccccc1 2230a_100015324214_100009813376 [1,0,1,0,0,0|1,0,1]=4 3664 B15R1.35 N#CCCCCCNCc1ccccc1 270004a_100000061152_100015611070 [1,0,1,0,0,0|1,0,1]=4 3665 B15R1.35 N#CCCCCNCCc1ccccc1 2230a_100000106460_100000211819 [1,0,1,0,0,0|1,0,1]=4 3666 B15R1.35 NCCCCCCOCc1ccccc1 34a_100000686447_100015291786 [1,0,1,0,0,0|2,0,0]=4 3667 B15R1.35 NCCCCCOCCc1ccccc1 34a_100000762737_100000765856 [1,0,1,0,0,0|2,0,0]=4 3668 B15R1.35 NCCCCOCCCc1ccccc1 34a_100000750430_100000211621 [1,0,1,0,0,0|2,0,0]=4 3669 B15R1.35 NCCCOCCCCc1ccccc1 34a_100000182051_100000701786 [1,0,1,0,0,0|2,0,0]=4 3670 B15R1.35 NCCOCCCCCc1ccccc1 34a_100000210304_200011217138 [1,0,1,0,0,0|2,0,0]=4 3671 B15R1.35 O=CCCCCCNCc1ccccc1 2230a_100015324214_100000139337 [1,0,1,0,0,0|1,0,1]=4 3672 B15R1.35 O=CCCCCNCCc1ccccc1 2230a_100000106460_100000139335 [1,0,1,0,0,0|1,0,1]=4 3673 B15R1.35 OCCCCCCCNc1ccccc1 34a_100000106764_100000760002 [1,0,1,0,0,0|2,0,0]=4 3674 B15R1.35 OCCCCCCCOc1ccccc1 34a_100000210340_100000760002 [1,0,1,0,0,0|2,0,0]=4 3675 B15R1.35 OCCCCCCCOc1ccccc1 7a_100000210340_100000760002 [1,0,1,0,0,0|2,0,0]=4 3676 B15R1.35 OCCCCCCCSc1ccccc1 62a_100000719477_100000760002 [1,0,1,0,0,0|2,0,0]=4 3677 B15R1.35 OCCCCCCCSc1ccccc1 62a_100000760002_100000041952 [1,0,1,0,0,0|2,0,0]=4 3678 B15R1.35 OCCCCCCNCc1ccccc1 207a_100000686447_100015611070 [1,0,1,0,0,0|1,0,0]=3 3679 B15R1.35 OCCCCCCNCc1ccccc1 2230a_100000686447_100015291786 [1,0,1,0,0,0|1,0,0]=3 3680 B15R1.35 OCCCCCCNCc1ccccc1 2230a_100015324214_100000766143 [1,0,1,0,0,0|1,0,0]=3 3681 B15R1.35 OCCCCCCNCc1ccccc1 270004a_100000686447_100015611070 [1,0,1,0,0,0|1,0,0]=3 3682 B15R1.35 OCCCCCCNCc1ccccc1 34a_100000686447_100015291786 [1,0,1,0,0,0|1,0,0]=3 3683 B15R1.35 OCCCCCCNCc1ccccc1 34a_100015324214_100000766143 [1,0,1,0,0,0|1,0,0]=3 3684 B15R1.35 OCCCCCCNCc1ccccn1 207a_100000686447_100000209966 [1,0,1,0,0,0|2,0,0]=4 3685 B15R1.35 OCCCCCCNCc1ccccn1 2230a_100000686447_100000721315 [1,0,1,0,0,0|2,0,0]=4 3686 B15R1.35 OCCCCCCNCc1ccccn1 270004a_100000686447_100000209966 [1,0,1,0,0,0|2,0,0]=4 3687 B15R1.35 OCCCCCCNCc1ccccn1 34a_100000686447_100000721315 [1,0,1,0,0,0|2,0,0]=4 3688 B15R1.35 OCCCCCCNCc1cccnc1 207a_100000686447_100000209961 [1,0,1,0,0,0|2,0,0]=4 3689 B15R1.35 OCCCCCCNCc1cccnc1 2230a_100000686447_100000741622 [1,0,1,0,0,0|2,0,0]=4 3690 B15R1.35 OCCCCCCNCc1cccnc1 270004a_100000686447_100000209961 [1,0,1,0,0,0|2,0,0]=4 3691 B15R1.35 OCCCCCCNCc1cccnc1 34a_100000686447_100000733263 [1,0,1,0,0,0|2,0,0]=4 3692 B15R1.35 OCCCCCCNCc1ccncc1 207a_100000686447_100000186114 [1,0,1,0,0,0|2,0,0]=4 3693 B15R1.35 OCCCCCCNCc1ccncc1 2230a_100000686447_100015193705 [1,0,1,0,0,0|2,0,0]=4 3694 B15R1.35 OCCCCCCOCc1ccccc1 34a_100000210790_100000766143 [1,0,1,0,0,0|2,0,0]=4 3695 B15R1.35 OCCCCCCOCc1ccccc1 7a_100000210790_100000766143 [1,0,1,0,0,0|2,0,0]=4 3696 B15R1.35 OCCCCCCSCc1ccccc1 62a_100000211182_100000766143 [1,0,1,0,0,0|2,0,0]=4 3697 B15R1.35 OCCCCCCSCc1ccccc1 62a_100000766143_100015291786 [1,0,1,0,0,0|2,0,0]=4 3698 B15R1.35 OCCCCCNCCc1ccccc1 2230a_100000106460_100000746330 [1,0,1,0,0,0|1,0,0]=3 3699 B15R1.35 OCCCCCNCCc1ccccc1 2230a_100000762737_100000765856 [1,0,1,0,0,0|1,0,0]=3 3700 B15R1.35 OCCCCCNCCc1ccccc1 34a_100000106460_100000746330 [1,0,1,0,0,0|1,0,0]=3 3701 B15R1.35 OCCCCCNCCc1ccccc1 34a_100000762737_100000765856 [1,0,1,0,0,0|1,0,0]=3 3702 B15R1.35 OCCCCCNCCc1ccccn1 2230a_100000762737_100015183660 [1,0,1,0,0,0|2,0,0]=4 3703 B15R1.35 OCCCCCNCCc1cccnc1 2230a_100000736294_100000746330 [1,0,1,0,0,0|2,0,0]=4 3704 B15R1.35 OCCCCCNCCc1cccnc1 2230a_100000762737_200011713674 [1,0,1,0,0,0|2,0,0]=4 3705 B15R1.35 OCCCCCNCCc1ccncc1 2230a_100000762737_100000723409 [1,0,1,0,0,0|2,0,0]=4 3706 B15R1.35 OCCCCCNCSc1ccccc1 2230a_100000762737_100011218342 [1,0,1,0,0,0|2,0,0]=4 3707 B15R1.35 OCCCCCOCCc1ccccc1 34a_100000210268_100000746330 [1,0,1,0,0,0|2,0,0]=4 3708 B15R1.35 OCCCCCOCCc1ccccc1 7a_100000210268_100000746330 [1,0,1,0,0,0|2,0,0]=4 3709 B15R1.35 OCCCCCSCCc1ccccc1 62a_100000746330_100011218657 [1,0,1,0,0,0|2,0,0]=4 3710 B15R1.35 OCCCCCSCCc1ccccc1 62a_100000765856_100000746330 [1,0,1,0,0,0|2,0,0]=4 3711 B15R1.35 OCCCCNCCCc1ccccc1 2230a_100000211184_100000210776 [1,0,1,0,0,0|2,0,0]=4 3712 B15R1.35 OCCCCNCCCc1ccccc1 2230a_100000750430_100000211621 [1,0,1,0,0,0|2,0,0]=4 3713 B15R1.35 OCCCCNCCCc1ccccc1 34a_100000211184_100011216708 [1,0,1,0,0,0|2,0,0]=4 3714 B15R1.35 OCCCCNCCCc1ccccc1 34a_100000750430_100000211621 [1,0,1,0,0,0|2,0,0]=4 3715 B15R1.35 OCCCCOCCCc1ccccc1 34a_100000210828_100011216708 [1,0,1,0,0,0|2,0,0]=4 3716 B15R1.35 OCCCCOCCCc1ccccc1 7a_100000210828_100000210776 [1,0,1,0,0,0|2,0,0]=4 3717 B15R1.35 OCCCCSCCCc1ccccc1 62a_100000210776_100000211621 [1,0,1,0,0,0|2,0,0]=4 3718 B15R1.35 OCCCCSCCCc1ccccc1 62a_100000211621_100000210776 [1,0,1,0,0,0|2,0,0]=4 3719 B15R1.35 OCCCNCCCCc1ccccc1 2230a_100015280158_100000230001 [1,0,1,0,0,0|2,0,0]=4 3720 B15R1.35 OCCCNCCCCc1ccccc1 34a_100015280158_100000230001 [1,0,1,0,0,0|2,0,0]=4 3721 B15R1.35 OCCCOCCCCc1ccccc1 34a_100000703073_100000230001 [1,0,1,0,0,0|2,0,0]=4 3722 B15R1.35 OCCCOCCCCc1ccccc1 7a_100000703073_100011215043 [1,0,1,0,0,0|2,0,0]=4 3723 B15R1.35 OCCCOCCNCc1ccccc1 34a_100000180844_100000230001 [1,0,1,0,0,0|2,0,0]=4 3724 B15R1.35 OCCCSCCCCc1ccccc1 62a_100000701786_100011215043 [1,0,1,0,0,0|2,0,0]=4 3725 B15R1.35 OCCCSCCCCc1ccccc1 62a_100011215043_100000701786 [1,0,1,0,0,0|2,0,0]=4 3726 B15R1.35 OCCNCCCCCc1ccccc1 2230a_100000750932_100000211926 [1,0,1,0,0,0|2,0,0]=4 3727 B15R1.35 OCCNCCCCCc1ccccc1 2230a_100016997473_200011217138 [1,0,1,0,0,0|2,0,0]=4 3728 B15R1.35 OCCNCCCCCc1ccccc1 34a_100000750932_100000211926 [1,0,1,0,0,0|2,0,0]=4 3729 B15R1.35 OCCNCCCCCc1ccccc1 34a_100016990907_200011217138 [1,0,1,0,0,0|2,0,0]=4 3730 B15R1.35 OCCOCCCCCc1ccccc1 34a_200011219639_100000211926 [1,0,1,0,0,0|2,0,0]=4 3731 B15R1.35 OCCOCCCCCc1ccccc1 7a_200011219639_100000211926 [1,0,1,0,0,0|2,0,0]=4 3732 B15R1.35 OCCOCCCNCc1ccccc1 34a_100000185501_100000211926 [1,0,1,0,0,0|2,0,0]=4 3733 B15R1.35 OCCOCCNCCc1ccccc1 2230a_100000106460_100011215305 [1,0,1,0,0,0|2,0,0]=4 3734 B15R1.35 OCCOCCNCCc1ccccc1 2230a_100000211614_100000765856 [1,0,1,0,0,0|2,0,0]=4 3735 B15R1.35 OCCOCCNCCc1ccccc1 34a_100000106460_100000692535 [1,0,1,0,0,0|2,0,0]=4 3736 B15R1.35 OCCOCCNCCc1ccccc1 34a_100000211614_100000765856 [1,0,1,0,0,0|2,0,0]=4 3737 B15R1.35 OCCSCCCCCc1ccccc1 62a_100000211926_200011217138 [1,0,1,0,0,0|2,0,0]=4 3738 B15R1.35 OCCSCCCCCc1ccccc1 62a_200011217138_100000211926 [1,0,1,0,0,0|2,0,0]=4 3739 B15R1.35 OCCSCCNCCc1ccccc1 2230a_100011219999_100000765856 [1,0,1,0,0,0|2,0,0]=4 3740 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 34a_100000042756_200025704644 [1,0,1,0,0,0|1,0,0]=3 3741 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 7a_100000042756_200025704644 [1,0,1,0,0,0|1,0,0]=3 3742 B15R1.35 [13CH3]OCCCCCNCc1ccccc1 34a_100011629535_200025704644 [1,0,1,0,0,0|1,0,0]=3 3743 B15R1.35 [13CH3]OCCCCCOCc1ccccc1 34a_100011215045_200025704644 [1,0,1,0,0,0|2,0,0]=4 3744 B15R1.35 [13CH3]OCCCCCOCc1ccccc1 7a_100011215045_200025704644 [1,0,1,0,0,0|2,0,0]=4 3745 B15R1.35 [13CH3]SCCCCCCCc1ccccc1 62a_200025704644_200009813472 [1,0,1,0,0,0|1,0,0]=3 3746 B15R1.35 [13CH3]SCCCCCCOc1ccccc1 62a_200025704644_200012047174 [1,0,1,0,0,0|2,0,0]=4 3747 B15R1.35 [13CH3]SCCCCCOCc1ccccc1 62a_100012032903_200025704644 [1,0,1,0,0,0|2,0,0]=4 3748 B15R1.35 [13CH3]SCCCCCOCc1ccccc1 62a_200025704644_100012032903 [1,0,1,0,0,0|2,0,0]=4 3749 B15R1.157 C=CCCC(C)NCCc1ccccc1 270004a_100000106460_100000762624 [1,0,1,0,0,0|0,0,2]=4 3750 B15R1.157 CC(CCCCl)OCCc1ccccc1 34a_200000718107_100000765856 [1,0,1,0,0,0|2,0,0]=4 3751 B15R1.157 CC(CCCCl)OCCc1ccccc1 7a_200000718107_100000765856 [1,0,1,0,0,0|2,0,0]=4 3752 B15R1.157 CCCCC(=O)NCCc1ccccc1 11a_100000106460_100000210183 [1,0,1,0,0,0|1,0,1]=4 3753 B15R1.157 CCCCC(=O)NCCc1ccccc1 1626a_100000106460_100000210183 [1,0,1,0,0,0|1,0,1]=4 3754 B15R1.157 CCCCC(=O)NCCc1ccccc1 240690a_100000106460_100000210183 [1,0,1,0,0,0|1,0,1]=4 3755 B15R1.157 CCCCC(=O)NCCc1ccccc1 527a_100000106460_100000210183 [1,0,1,0,0,0|1,0,1]=4 3756 B15R1.157 CCCCC(C)COCc1ccccc1 34a_100011995851_100015291786 [1,0,1,0,0,0|2,0,0]=4 3757 B15R1.157 CCCCC(C)COCc1ccccc1 7a_100011995851_100000211182 [1,0,1,0,0,0|2,0,0]=4 3758 B15R1.157 CCCCC(C)NCCc1ccccc1 2230a_100000106460_200011215066 [1,0,1,0,0,0|0,0,0]=2 3759 B15R1.157 CCCCC(C)NCCc1ccccc1 2230a_100000126638_100000765856 [1,0,1,0,0,0|0,0,0]=2 3760 B15R1.157 CCCCC(C)NCCc1ccccc1 270004a_100000106460_100000210087 [1,0,1,0,0,0|0,0,0]=2 3761 B15R1.157 CCCCC(C)NCCc1ccccc1 34a_100000106460_200011215066 [1,0,1,0,0,0|0,0,0]=2 3762 B15R1.157 CCCCC(C)NCCc1ccccn1 2230a_100000126638_100015183660 [1,0,1,0,0,0|1,0,0]=3 3763 B15R1.157 CCCCC(C)NCCc1ccccn1 270004a_100000211156_100000210087 [1,0,1,0,0,0|1,0,0]=3 3764 B15R1.157 CCCCC(C)NCCc1cccnc1 2230a_100000126638_200011713674 [1,0,1,0,0,0|1,0,0]=3 3765 B15R1.157 CCCCC(C)NCCc1cccnc1 2230a_100000736294_200011215066 [1,0,1,0,0,0|1,0,0]=3 3766 B15R1.157 CCCCC(C)NCCc1cccnc1 270004a_100000736294_100000210087 [1,0,1,0,0,0|1,0,0]=3 3767 B15R1.157 CCCCC(C)NCCc1ccncc1 2230a_100000126638_100000723409 [1,0,1,0,0,0|1,0,0]=3 3768 B15R1.157 CCCCC(C)NCCc1ccncc1 270004a_100000742849_100000210087 [1,0,1,0,0,0|1,0,0]=3 3769 B15R1.157 CCCCC(C)NCCc1cnccn1 270004a_100000723456_100000210087 [1,0,1,0,0,0|2,0,0]=4 3770 B15R1.157 CCCCC(C)NCSc1ccccc1 2230a_100000126638_100011218342 [1,0,1,0,0,0|1,0,0]=3 3771 B15R1.157 CCCCC(C)OCCc1ccccc1 34a_100000210268_200011215066 [1,0,1,0,0,0|1,0,0]=3 3772 B15R1.157 CCCCC(C)OCCc1ccccc1 34a_100000687866_100000765856 [1,0,1,0,0,0|1,0,0]=3 3773 B15R1.157 CCCCC(C)OCCc1ccccc1 7a_100000210268_200011215066 [1,0,1,0,0,0|1,0,0]=3 3774 B15R1.157 CCCCC(C)OCCc1ccccc1 7a_100000687866_100000765856 [1,0,1,0,0,0|1,0,0]=3 3775 B15R1.157 CCCCC(C)OCCc1ccccn1 34a_100000210271_200011215066 [1,0,1,0,0,0|2,0,0]=4 3776 B15R1.157 CCCCC(C)OCCc1ccccn1 7a_100000687866_100015183660 [1,0,1,0,0,0|2,0,0]=4 3777 B15R1.157 CCCCC(C)OCCc1cccnc1 34a_100011217484_200011215066 [1,0,1,0,0,0|2,0,0]=4 3778 B15R1.157 CCCCC(C)OCCc1cccnc1 7a_100000687866_200011713674 [1,0,1,0,0,0|2,0,0]=4 3779 B15R1.157 CCCCC(C)OCCc1ccncc1 34a_100011216225_200011215066 [1,0,1,0,0,0|2,0,0]=4 3780 B15R1.157 CCCCC(C)OCCc1ccncc1 7a_100000687866_100000723409 [1,0,1,0,0,0|2,0,0]=4 3781 B15R1.157 CCCCC(C)SCCc1ccccc1 62a_100000765856_200011215066 [1,0,1,0,0,0|1,0,0]=3 3782 B15R1.157 CCCCC(C)SCCc1ccccc1 62a_200011215066_100011218657 [1,0,1,0,0,0|1,0,0]=3 3783 B15R1.157 CCCCC(C)SCCc1ccccn1 62a_100015183660_200011215066 [1,0,1,0,0,0|2,0,0]=4 3784 B15R1.157 CCCCC(C)SCCc1ccccn1 62a_200011215066_100015183660 [1,0,1,0,0,0|2,0,0]=4 3785 B15R1.157 CCCCC(C)SCCc1cccnc1 62a_200011215066_200011713674 [1,0,1,0,0,0|2,0,0]=4 3786 B15R1.157 CCCCC(C)SCCc1cccnc1 62a_200011713674_200011215066 [1,0,1,0,0,0|2,0,0]=4 3787 B15R1.157 CCCCC(C)SCCc1ccncc1 62a_100000723409_200011215066 [1,0,1,0,0,0|2,0,0]=4 3788 B15R1.157 CCCCC(C)SCCc1ccncc1 62a_200011215066_100000723409 [1,0,1,0,0,0|2,0,0]=4 3789 B15R1.157 CCCCC(C)SCSc1ccccc1 62a_100011218342_200011215066 [1,0,1,0,0,0|2,0,0]=4 3790 B15R1.157 CCCCC(C)SCSc1ccccc1 62a_200011215066_100011218342 [1,0,1,0,0,0|2,0,0]=4 3791 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_100000207549_100000211621 [1,0,1,0,0,0|2,0,0]=4 3792 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_100000693637_100000210211 [1,0,1,0,0,0|2,0,0]=4 3793 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_200000200706_200000210301 [1,0,1,0,0,0|2,0,0]=4 3794 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_100000207549_100000211621 [1,0,1,0,0,0|2,0,0]=4 3795 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_100000693637_100000210211 [1,0,1,0,0,0|2,0,0]=4 3796 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_200000200706_200000210301 [1,0,1,0,0,0|2,0,0]=4 3797 B15R1.157 CCCCN(C)CCCc1ccccc1 34a_200000200706_200000210301 [1,0,1,0,0,0|2,0,0]=4 3798 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 2230a_200000200706_200025704644 [1,0,1,0,0,0|2,0,0]=4 3799 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 269982a_200000200706_200025704644 [1,0,1,0,0,0|2,0,0]=4 3800 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 34a_200000200706_200025704644 [1,0,1,0,0,0|2,0,0]=4 3801 B15R1.157 CCCOC(C)CCCc1ccccc1 34a_100000210258_200010759516 [1,0,1,0,0,0|2,0,0]=4 3802 B15R1.157 CCCSC(C)CCCc1ccccc1 62a_100000210303_200010759516 [1,0,1,0,0,0|2,0,0]=4 3803 B15R1.157 CCCSC(C)CCCc1ccccc1 62a_200010759516_100000210303 [1,0,1,0,0,0|2,0,0]=4 3804 B15R1.157 CCOCC(C)OCCc1ccccc1 34a_100000718985_100000765856 [1,0,1,0,0,0|2,0,0]=4 3805 B15R1.157 CCOCC(C)OCCc1ccccc1 7a_100000718985_100000765856 [1,0,1,0,0,0|2,0,0]=4 3806 B15R1.157 CCSCC(C)NCCc1ccccc1 270004a_100000106460_200011216171 [1,0,1,0,0,0|1,0,0]=3 3807 B15R1.157 CCSCC(C)NCCc1ccccn1 270004a_100000211156_200011216171 [1,0,1,0,0,0|2,0,0]=4 3808 B15R1.157 CCSCC(C)NCCc1cccnc1 270004a_100000736294_200011216171 [1,0,1,0,0,0|2,0,0]=4 3809 B15R1.157 CCSCC(C)NCCc1ccncc1 270004a_100000742849_200011216171 [1,0,1,0,0,0|2,0,0]=4 3810 B15R1.157 COCCC(C)NCCc1ccccc1 270004a_100000106460_100000742357 [1,0,1,0,0,0|1,0,0]=3 3811 B15R1.157 COCCC(C)NCCc1ccccn1 270004a_100000211156_100000742357 [1,0,1,0,0,0|2,0,0]=4 3812 B15R1.157 COCCC(C)NCCc1cccnc1 270004a_100000736294_100000742357 [1,0,1,0,0,0|2,0,0]=4 3813 B15R1.157 COCCC(C)NCCc1ccncc1 270004a_100000742849_100000742357 [1,0,1,0,0,0|2,0,0]=4 3814 B15R1.157 CSCCC(C)NCCc1ccccc1 270004a_100000106460_100011217047 [1,0,1,0,0,0|1,0,0]=3 3815 B15R1.157 CSCCC(C)NCCc1ccccn1 270004a_100000211156_100011217047 [1,0,1,0,0,0|2,0,0]=4 3816 B15R1.157 CSCCC(C)NCCc1cccnc1 270004a_100000736294_100011217047 [1,0,1,0,0,0|2,0,0]=4 3817 B15R1.157 CSCCC(C)NCCc1ccncc1 270004a_100000742849_100011217047 [1,0,1,0,0,0|2,0,0]=4 3818 B15R1.1306 CCC(COC)NCCc1ccccc1 2230a_100000757820_100000765856 [1,0,1,0,0,0|1,0,0]=3 3819 B15R1.1306 CCC(COC)NCCc1ccccc1 270004a_100000106460_100000757811 [1,0,1,0,0,0|1,0,0]=3 3820 B15R1.1306 CCC(COC)NCCc1ccccn1 2230a_100000757820_100015183660 [1,0,1,0,0,0|2,0,0]=4 3821 B15R1.1306 CCC(COC)NCCc1ccccn1 270004a_100000211156_100000757811 [1,0,1,0,0,0|2,0,0]=4 3822 B15R1.1306 CCC(COC)NCCc1cccnc1 2230a_100000757820_200011713674 [1,0,1,0,0,0|2,0,0]=4 3823 B15R1.1306 CCC(COC)NCCc1cccnc1 270004a_100000736294_100000757811 [1,0,1,0,0,0|2,0,0]=4 3824 B15R1.1306 CCC(COC)NCCc1ccncc1 2230a_100000757820_100000723409 [1,0,1,0,0,0|2,0,0]=4 3825 B15R1.1306 CCC(COC)NCCc1ccncc1 270004a_100000742849_100000757811 [1,0,1,0,0,0|2,0,0]=4 3826 B15R1.1306 CCC(COC)NCSc1ccccc1 2230a_100000757820_100011218342 [1,0,1,0,0,0|2,0,0]=4 3827 B15R1.1306 CCC(COC)OCCc1ccccc1 7a_200011214946_100000765856 [1,0,1,0,0,0|2,0,0]=4 3828 B15R1.1306 CCCC(CC)NCCc1ccccc1 2230a_100000747048_100000765856 [1,0,1,0,0,0|0,0,0]=2 3829 B15R1.1306 CCCC(CC)NCCc1ccccc1 270004a_100000106460_100000687865 [1,0,1,0,0,0|0,0,0]=2 3830 B15R1.1306 CCCC(CC)NCCc1ccccn1 2230a_100000747048_100015183660 [1,0,1,0,0,0|1,0,0]=3 3831 B15R1.1306 CCCC(CC)NCCc1ccccn1 270004a_100000211156_100000687865 [1,0,1,0,0,0|1,0,0]=3 3832 B15R1.1306 CCCC(CC)NCCc1cccnc1 2230a_100000747048_200011713674 [1,0,1,0,0,0|1,0,0]=3 3833 B15R1.1306 CCCC(CC)NCCc1cccnc1 270004a_100000736294_100000687865 [1,0,1,0,0,0|1,0,0]=3 3834 B15R1.1306 CCCC(CC)NCCc1ccncc1 2230a_100000747048_100000723409 [1,0,1,0,0,0|1,0,0]=3 3835 B15R1.1306 CCCC(CC)NCCc1ccncc1 270004a_100000742849_100000687865 [1,0,1,0,0,0|1,0,0]=3 3836 B15R1.1306 CCCC(CC)NCCc1cnccn1 270004a_100000723456_100000687865 [1,0,1,0,0,0|2,0,0]=4 3837 B15R1.1306 CCCC(CC)NCSc1ccccc1 2230a_100000747048_100011218342 [1,0,1,0,0,0|1,0,0]=3 3838 B15R1.1306 CCCC(CC)OCCc1ccccc1 34a_100000687864_100000765856 [1,0,1,0,0,0|1,0,0]=3 3839 B15R1.1306 CCCC(CC)OCCc1ccccc1 7a_100000210268_100011219200 [1,0,1,0,0,0|1,0,0]=3 3840 B15R1.1306 CCCC(CC)OCCc1ccccc1 7a_100000687864_100000765856 [1,0,1,0,0,0|1,0,0]=3 3841 B15R1.1306 CCCC(CC)OCCc1ccccn1 7a_100000687864_100015183660 [1,0,1,0,0,0|2,0,0]=4 3842 B15R1.1306 CCCC(CC)OCCc1cccnc1 7a_100000687864_200011713674 [1,0,1,0,0,0|2,0,0]=4 3843 B15R1.1306 CCCC(CC)OCCc1ccncc1 7a_100000687864_100000723409 [1,0,1,0,0,0|2,0,0]=4 3844 B15R1.1306 CCCC(CC)SCCc1ccccc1 62a_100000765856_100011219200 [1,0,1,0,0,0|1,0,0]=3 3845 B15R1.1306 CCCC(CC)SCCc1ccccc1 62a_100011219200_100011218657 [1,0,1,0,0,0|1,0,0]=3 3846 B15R1.1306 CCCC(CC)SCCc1ccccn1 62a_100011219200_100015183660 [1,0,1,0,0,0|2,0,0]=4 3847 B15R1.1306 CCCC(CC)SCCc1ccccn1 62a_100015183660_100011219200 [1,0,1,0,0,0|2,0,0]=4 3848 B15R1.1306 CCCC(CC)SCCc1cccnc1 62a_100011219200_200011713674 [1,0,1,0,0,0|2,0,0]=4 3849 B15R1.1306 CCCC(CC)SCCc1cccnc1 62a_200011713674_100011219200 [1,0,1,0,0,0|2,0,0]=4 3850 B15R1.1306 CCCC(CC)SCCc1ccncc1 62a_100000723409_100011219200 [1,0,1,0,0,0|2,0,0]=4 3851 B15R1.1306 CCCC(CC)SCCc1ccncc1 62a_100011219200_100000723409 [1,0,1,0,0,0|2,0,0]=4 3852 B15R1.1306 CCCC(CC)SCSc1ccccc1 62a_100011218342_100011219200 [1,0,1,0,0,0|2,0,0]=4 3853 B15R1.1306 CCCC(CC)SCSc1ccccc1 62a_100011219200_100011218342 [1,0,1,0,0,0|2,0,0]=4 3854 B15R1.1306 CCCN(CC)CCCc1ccccc1 2230a_100000226822_100000211621 [1,0,1,0,0,0|2,0,0]=4 3855 B15R1.1306 CCCN(CC)CCCc1ccccc1 269982a_100000226822_100000211621 [1,0,1,0,0,0|2,0,0]=4 3856 B15R1.1306 CCC[C@@H](CO)NCCc1ccccc1 2230a_100000732646_100000765856 [1,0,1,0,0,0|1,0,0]=3 3857 B15R1.1306 CCC[C@@H](CO)NCCc1ccccc1 34a_100000732646_100000765856 [1,0,1,0,0,0|1,0,0]=3 3858 B15R1.1306 CCC[C@@H](CO)NCCc1ccccn1 2230a_100000732646_100015183660 [1,0,1,0,0,0|2,0,0]=4 3859 B15R1.1306 CCC[C@@H](CO)NCCc1cccnc1 2230a_100000732646_200011713674 [1,0,1,0,0,0|2,0,0]=4 3860 B15R1.1306 CCC[C@@H](CO)NCCc1ccncc1 2230a_100000732646_100000723409 [1,0,1,0,0,0|2,0,0]=4 3861 B15R1.1306 CCC[C@@H](CO)NCSc1ccccc1 2230a_100000732646_100011218342 [1,0,1,0,0,0|2,0,0]=4 3862 B15R1.1306 CC[C@H](CC#N)NCCc1ccccc1 2230a_200009818565_100000765856 [1,0,1,0,0,0|1,0,1]=4 3863 B15R1.1306 COCC(CO)NCCc1ccccc1 2230a_100000724102_100000765856 [1,0,1,0,0,0|2,0,0]=4 3864 B15R1.1306 COCC(CO)NCCc1ccccc1 34a_100000724102_100000765856 [1,0,1,0,0,0|2,0,0]=4 3865 B17R1.11 BrCCCCCCOCCc1ccc(cc1)Br 34a_100011215345_100011740612 [0,1,1,0,0,0|2,0,0]=4 3866 B17R1.11 BrCCCCCCOCCc1ccc(cc1)Br 7a_100011215345_100011740612 [0,1,1,0,0,0|2,0,0]=4 3867 B17R1.11 C#CCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100012094781 [0,1,1,0,0,0|0,0,2]=4 3868 B17R1.11 C#CCCCCCNCCc1ccc(cc1)Br 34a_100000755846_100012094781 [0,1,1,0,0,0|0,0,2]=4 3869 B17R1.11 C#CCCCCCNCCc1ccc(cc1)C 2230a_100000705350_100012094781 [0,1,1,0,0,0|0,0,2]=4 3870 B17R1.11 C#CCCCCCNCCc1ccc(cc1)C 34a_100000705350_100012094781 [0,1,1,0,0,0|0,0,2]=4 3871 B17R1.11 C#CCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100012094781 [0,1,1,0,0,0|0,0,2]=4 3872 B17R1.11 C#CCCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100012094781 [0,1,1,0,0,0|0,0,2]=4 3873 B17R1.11 C#CCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100012094781 [0,1,1,0,0,0|0,0,2]=4 3874 B17R1.11 C#CCCCCCNCCc1ccc(cc1)F 34a_100000199005_100012094781 [0,1,1,0,0,0|0,0,2]=4 3875 B17R1.11 C#CCCCCCNCCc1ccc(cc1)O 34a_100000743037_100012094781 [0,1,1,0,0,0|0,0,2]=4 3876 B17R1.11 C=CCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000700193 [0,1,1,0,0,0|0,0,2]=4 3877 B17R1.11 C=CCCCCCNCCc1ccc(cc1)Br 34a_100000755846_100000700193 [0,1,1,0,0,0|0,0,2]=4 3878 B17R1.11 C=CCCCCCNCCc1ccc(cc1)C 2230a_100000705350_100000700193 [0,1,1,0,0,0|0,0,2]=4 3879 B17R1.11 C=CCCCCCNCCc1ccc(cc1)C 34a_100000705350_100000700193 [0,1,1,0,0,0|0,0,2]=4 3880 B17R1.11 C=CCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000700193 [0,1,1,0,0,0|0,0,2]=4 3881 B17R1.11 C=CCCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000700193 [0,1,1,0,0,0|0,0,2]=4 3882 B17R1.11 C=CCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000700193 [0,1,1,0,0,0|0,0,2]=4 3883 B17R1.11 C=CCCCCCNCCc1ccc(cc1)F 34a_100000199005_100000700193 [0,1,1,0,0,0|0,0,2]=4 3884 B17R1.11 C=CCCCCCNCCc1ccc(cc1)O 34a_100000743037_100000700193 [0,1,1,0,0,0|0,0,2]=4 3885 B17R1.11 CCCCCCCCCCc1cc[n+](cc1)[O-] 271570a_100000061613_100000039755 [0,1,1,0,0,0|2,0,0]=4 3886 B17R1.11 CCCCCCCCCCc1ccc(=O)[nH]c1 271570a_100000061613_100000212171 [0,1,1,0,0,0|2,0,0]=4 3887 B17R1.11 CCCCCCCCCCc1ccc(cc1)C 271570a_100000061613_100000186775 [0,1,1,0,0,0|1,0,0]=3 3888 B17R1.11 CCCCCCCCCCc1ccc(cc1)F 271570a_100000061613_100000211213 [0,1,1,0,0,0|1,0,0]=3 3889 B17R1.11 CCCCCCCCCCc1ccc(cc1)N 271570a_100000061613_100000185761 [0,1,1,0,0,0|1,0,0]=3 3890 B17R1.11 CCCCCCCCCCc1ccc(cc1)O 271570a_100000061613_100000185759 [0,1,1,0,0,0|1,0,0]=3 3891 B17R1.11 CCCCCCCCCCc1ccc(cc1)O 271570a_203496583355_100000091983 [0,1,1,0,0,0|1,0,0]=3 3892 B17R1.11 CCCCCCCCCCc1ccc(cn1)Br 271570a_100000061613_100000686858 [0,1,1,0,0,0|2,0,0]=4 3893 B17R1.11 CCCCCCCCCCc1ccc(cn1)C 271570a_100000061613_100000754016 [0,1,1,0,0,0|2,0,0]=4 3894 B17R1.11 CCCCCCCCCCc1ccc(cn1)Cl 271570a_100000061613_100011356976 [0,1,1,0,0,0|2,0,0]=4 3895 B17R1.11 CCCCCCCCCCc1ccc(cn1)F 271570a_100000061613_100000744514 [0,1,1,0,0,0|2,0,0]=4 3896 B17R1.11 CCCCCCCCCCc1ccc(cn1)N 271570a_100000061613_100000744251 [0,1,1,0,0,0|2,0,0]=4 3897 B17R1.11 CCCCCCCCCCc1ccc(cn1)O 271570a_100000061613_100000685995 [0,1,1,0,0,0|2,0,0]=4 3898 B17R1.11 CCCCCCCCCCc1ccc(nc1)Br 271570a_100000061613_100009814638 [0,1,1,0,0,0|2,0,0]=4 3899 B17R1.11 CCCCCCCCCCc1ccc(nc1)C 271570a_100000061613_100000751577 [0,1,1,0,0,0|2,0,0]=4 3900 B17R1.11 CCCCCCCCCCc1ccc(nc1)Cl 271570a_100000061613_100000034144 [0,1,1,0,0,0|2,0,0]=4 3901 B17R1.11 CCCCCCCCCCc1ccc(nc1)F 271570a_100000061613_100000748661 [0,1,1,0,0,0|2,0,0]=4 3902 B17R1.11 CCCCCCCCCCc1ccc(nc1)N 271570a_100000061613_100000187370 [0,1,1,0,0,0|2,0,0]=4 3903 B17R1.11 CCCCCCCCCNc1ccc(cc1)Br 2230a_100000210018_100011214924 [0,1,1,0,0,0|2,0,0]=4 3904 B17R1.11 CCCCCCCCCNc1ccc(cc1)Br 34a_100000210018_100011214924 [0,1,1,0,0,0|2,0,0]=4 3905 B17R1.11 CCCCCCCCCNc1ccc(cc1)C 34a_100000124888_100011214924 [0,1,1,0,0,0|2,0,0]=4 3906 B17R1.11 CCCCCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100011214924 [0,1,1,0,0,0|2,0,0]=4 3907 B17R1.11 CCCCCCCCCNc1ccc(cc1)Cl 34a_100000210052_100011214924 [0,1,1,0,0,0|2,0,0]=4 3908 B17R1.11 CCCCCCCCCNc1ccc(cc1)F 34a_100000185862_100011214924 [0,1,1,0,0,0|2,0,0]=4 3909 B17R1.11 CCCCCCCCCNc1ccc(cc1)I 34a_100000185761_100011214924 [0,1,1,0,0,0|2,0,0]=4 3910 B17R1.11 CCCCCCCCCNc1ccc(cc1)O 34a_100000185829_100011214924 [0,1,1,0,0,0|2,0,0]=4 3911 B17R1.11 CCCCCCCCCOc1ccc(cc1)Br 34a_100000185759_100011214924 [0,1,1,0,0,0|2,0,0]=4 3912 B17R1.11 CCCCCCCCCOc1ccc(cc1)Br 7a_100000185759_100000210328 [0,1,1,0,0,0|2,0,0]=4 3913 B17R1.11 CCCCCCCCCOc1ccc(cc1)C 34a_100000210336_100011214924 [0,1,1,0,0,0|2,0,0]=4 3914 B17R1.11 CCCCCCCCCOc1ccc(cc1)C 7a_100000210336_100000210328 [0,1,1,0,0,0|2,0,0]=4 3915 B17R1.11 CCCCCCCCCOc1ccc(cc1)Cl 34a_100000210216_100011214924 [0,1,1,0,0,0|2,0,0]=4 3916 B17R1.11 CCCCCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210328 [0,1,1,0,0,0|2,0,0]=4 3917 B17R1.11 CCCCCCCCCOc1ccc(cc1)F 34a_100000210339_100011214924 [0,1,1,0,0,0|2,0,0]=4 3918 B17R1.11 CCCCCCCCCOc1ccc(cc1)I 34a_100000212066_100011214924 [0,1,1,0,0,0|2,0,0]=4 3919 B17R1.11 CCCCCCCCCOc1ccc(cc1)I 7a_100000212066_100000210328 [0,1,1,0,0,0|2,0,0]=4 3920 B17R1.11 CCCCCCCCCOc1ccc(cc1)N 34a_100000185829_100011214924 [0,1,1,0,0,0|2,0,0]=4 3921 B17R1.11 CCCCCCCCCOc1ccc(cc1)O 271570a_203496583355_200005760942 [0,1,1,0,0,0|2,0,0]=4 3922 B17R1.11 CCCCCCCCCSc1ccc(cc1)C 62a_100000186775_100000210670 [0,1,1,0,0,0|2,0,0]=4 3923 B17R1.11 CCCCCCCCCSc1ccc(cc1)F 62a_100000211213_100000210670 [0,1,1,0,0,0|2,0,0]=4 3924 B17R1.11 CCCCCCCCCSc1ccc(cc1)N 62a_100000185761_100000210670 [0,1,1,0,0,0|2,0,0]=4 3925 B17R1.11 CCCCCCCCNCc1ccc(cc1)Br 207a_100000229939_100000186029 [0,1,1,0,0,0|2,0,0]=4 3926 B17R1.11 CCCCCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210759 [0,1,1,0,0,0|2,0,0]=4 3927 B17R1.11 CCCCCCCCNCc1ccc(cc1)Br 2230a_100000229939_100011217064 [0,1,1,0,0,0|2,0,0]=4 3928 B17R1.11 CCCCCCCCNCc1ccc(cc1)Br 270004a_100000229939_100000186029 [0,1,1,0,0,0|2,0,0]=4 3929 B17R1.11 CCCCCCCCNCc1ccc(cc1)Br 34a_100000174875_100000210759 [0,1,1,0,0,0|2,0,0]=4 3930 B17R1.11 CCCCCCCCNCc1ccc(cc1)Br 34a_100000229939_100000189115 [0,1,1,0,0,0|2,0,0]=4 3931 B17R1.11 CCCCCCCCNCc1ccc(cc1)C 207a_100000229939_100000211033 [0,1,1,0,0,0|2,0,0]=4 3932 B17R1.11 CCCCCCCCNCc1ccc(cc1)C 2230a_100000174908_100000210759 [0,1,1,0,0,0|2,0,0]=4 3933 B17R1.11 CCCCCCCCNCc1ccc(cc1)C 2230a_100000229939_100000210814 [0,1,1,0,0,0|2,0,0]=4 3934 B17R1.11 CCCCCCCCNCc1ccc(cc1)C 270004a_100000229939_100000211033 [0,1,1,0,0,0|2,0,0]=4 3935 B17R1.11 CCCCCCCCNCc1ccc(cc1)C 34a_100000174908_100000210759 [0,1,1,0,0,0|2,0,0]=4 3936 B17R1.11 CCCCCCCCNCc1ccc(cc1)C 34a_100000229939_100000210814 [0,1,1,0,0,0|2,0,0]=4 3937 B17R1.11 CCCCCCCCNCc1ccc(cc1)Cl 207a_100000229939_100000189385 [0,1,1,0,0,0|2,0,0]=4 3938 B17R1.11 CCCCCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210759 [0,1,1,0,0,0|2,0,0]=4 3939 B17R1.11 CCCCCCCCNCc1ccc(cc1)Cl 2230a_100000229939_100000694040 [0,1,1,0,0,0|2,0,0]=4 3940 B17R1.11 CCCCCCCCNCc1ccc(cc1)Cl 270004a_100000229939_100000189385 [0,1,1,0,0,0|2,0,0]=4 3941 B17R1.11 CCCCCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210759 [0,1,1,0,0,0|2,0,0]=4 3942 B17R1.11 CCCCCCCCNCc1ccc(cc1)Cl 34a_100000229939_100000694040 [0,1,1,0,0,0|2,0,0]=4 3943 B17R1.11 CCCCCCCCNCc1ccc(cc1)F 207a_100000229939_100000210084 [0,1,1,0,0,0|2,0,0]=4 3944 B17R1.11 CCCCCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210759 [0,1,1,0,0,0|2,0,0]=4 3945 B17R1.11 CCCCCCCCNCc1ccc(cc1)F 2230a_100000229939_100000198546 [0,1,1,0,0,0|2,0,0]=4 3946 B17R1.11 CCCCCCCCNCc1ccc(cc1)F 270004a_100000229939_100000210084 [0,1,1,0,0,0|2,0,0]=4 3947 B17R1.11 CCCCCCCCNCc1ccc(cc1)F 34a_100000174882_100000210759 [0,1,1,0,0,0|2,0,0]=4 3948 B17R1.11 CCCCCCCCNCc1ccc(cc1)F 34a_100000229939_100000198546 [0,1,1,0,0,0|2,0,0]=4 3949 B17R1.11 CCCCCCCCNCc1ccc(cc1)I 207a_100000229939_100000188517 [0,1,1,0,0,0|2,0,0]=4 3950 B17R1.11 CCCCCCCCNCc1ccc(cc1)I 2230a_100000229939_100000189116 [0,1,1,0,0,0|2,0,0]=4 3951 B17R1.11 CCCCCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210759 [0,1,1,0,0,0|2,0,0]=4 3952 B17R1.11 CCCCCCCCNCc1ccc(cc1)I 34a_100000229939_100000189116 [0,1,1,0,0,0|2,0,0]=4 3953 B17R1.11 CCCCCCCCNCc1ccc(cc1)I 34a_100016989417_100000210759 [0,1,1,0,0,0|2,0,0]=4 3954 B17R1.11 CCCCCCCCNCc1ccc(cc1)O 34a_100000185549_100000210759 [0,1,1,0,0,0|2,0,0]=4 3955 B17R1.11 CCCCCCCCOCc1ccc(cc1)Br 34a_100000210232_100000189115 [0,1,1,0,0,0|2,0,0]=4 3956 B17R1.11 CCCCCCCCOCc1ccc(cc1)Br 34a_100000695286_100000210759 [0,1,1,0,0,0|2,0,0]=4 3957 B17R1.11 CCCCCCCCOCc1ccc(cc1)Br 7a_100000210232_100011217064 [0,1,1,0,0,0|2,0,0]=4 3958 B17R1.11 CCCCCCCCOCc1ccc(cc1)C 34a_100000210232_100000210814 [0,1,1,0,0,0|2,0,0]=4 3959 B17R1.11 CCCCCCCCOCc1ccc(cc1)C 34a_100011215236_100000210759 [0,1,1,0,0,0|2,0,0]=4 3960 B17R1.11 CCCCCCCCOCc1ccc(cc1)C 7a_100000210232_100000210814 [0,1,1,0,0,0|2,0,0]=4 3961 B17R1.11 CCCCCCCCOCc1ccc(cc1)C 7a_100011215236_100000210759 [0,1,1,0,0,0|2,0,0]=4 3962 B17R1.11 CCCCCCCCOCc1ccc(cc1)Cl 34a_100000210232_100000694040 [0,1,1,0,0,0|2,0,0]=4 3963 B17R1.11 CCCCCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210759 [0,1,1,0,0,0|2,0,0]=4 3964 B17R1.11 CCCCCCCCOCc1ccc(cc1)Cl 7a_100000210232_100000187161 [0,1,1,0,0,0|2,0,0]=4 3965 B17R1.11 CCCCCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210759 [0,1,1,0,0,0|2,0,0]=4 3966 B17R1.11 CCCCCCCCOCc1ccc(cc1)F 34a_100000210232_100000198546 [0,1,1,0,0,0|2,0,0]=4 3967 B17R1.11 CCCCCCCCOCc1ccc(cc1)F 34a_100000210977_100000210759 [0,1,1,0,0,0|2,0,0]=4 3968 B17R1.11 CCCCCCCCOCc1ccc(cc1)F 7a_100000210232_100000198546 [0,1,1,0,0,0|2,0,0]=4 3969 B17R1.11 CCCCCCCCOCc1ccc(cc1)F 7a_100000210977_100000210759 [0,1,1,0,0,0|2,0,0]=4 3970 B17R1.11 CCCCCCCCOCc1ccc(cc1)I 34a_100000210232_100000189116 [0,1,1,0,0,0|2,0,0]=4 3971 B17R1.11 CCCCCCCCOCc1ccc(cc1)I 34a_100000690907_100000210759 [0,1,1,0,0,0|2,0,0]=4 3972 B17R1.11 CCCCCCCCOCc1ccc(cc1)I 7a_100000210232_100000189116 [0,1,1,0,0,0|2,0,0]=4 3973 B17R1.11 CCCCCCCCOCc1ccc(cc1)I 7a_100000690907_100000210759 [0,1,1,0,0,0|2,0,0]=4 3974 B17R1.11 CCCCCCCCOCc1ccc(cc1)N 34a_100011215238_100000210759 [0,1,1,0,0,0|2,0,0]=4 3975 B17R1.11 CCCCCCCCSCc1ccc(cc1)C 62a_100000210759_100000210814 [0,1,1,0,0,0|2,0,0]=4 3976 B17R1.11 CCCCCCCCSCc1ccc(cc1)C 62a_100000210814_100000210317 [0,1,1,0,0,0|2,0,0]=4 3977 B17R1.11 CCCCCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210317 [0,1,1,0,0,0|2,0,0]=4 3978 B17R1.11 CCCCCCCCSCc1ccc(cc1)Cl 62a_100000210759_100000187161 [0,1,1,0,0,0|2,0,0]=4 3979 B17R1.11 CCCCCCCCSCc1ccc(cc1)F 62a_100000198546_100000210317 [0,1,1,0,0,0|2,0,0]=4 3980 B17R1.11 CCCCCCCCSCc1ccc(cc1)F 62a_100000210759_100000187164 [0,1,1,0,0,0|2,0,0]=4 3981 B17R1.11 CCCCCCCCSCc1ccc(cc1)I 62a_100000189116_100000210317 [0,1,1,0,0,0|2,0,0]=4 3982 B17R1.11 CCCCCCCCSCc1ccc(cc1)I 62a_100000210759_100000189116 [0,1,1,0,0,0|2,0,0]=4 3983 B17R1.11 CCCCCCCNCCc1ccc(cc1)Br 2230a_100000229938_100011740612 [0,1,1,0,0,0|0,0,0]=2 3984 B17R1.11 CCCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210681 [0,1,1,0,0,0|0,0,0]=2 3985 B17R1.11 CCCCCCCNCCc1ccc(cc1)Br 34a_100000755846_100000210614 [0,1,1,0,0,0|0,0,0]=2 3986 B17R1.11 CCCCCCCNCCc1ccc(cc1)C 2230a_100000229938_100011713686 [0,1,1,0,0,0|0,0,0]=2 3987 B17R1.11 CCCCCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210681 [0,1,1,0,0,0|0,0,0]=2 3988 B17R1.11 CCCCCCCNCCc1ccc(cc1)C 34a_100000705350_100000210614 [0,1,1,0,0,0|0,0,0]=2 3989 B17R1.11 CCCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210681 [0,1,1,0,0,0|0,0,0]=2 3990 B17R1.11 CCCCCCCNCCc1ccc(cc1)Cl 2230a_100000229938_100011713675 [0,1,1,0,0,0|0,0,0]=2 3991 B17R1.11 CCCCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210614 [0,1,1,0,0,0|0,0,0]=2 3992 B17R1.11 CCCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210681 [0,1,1,0,0,0|0,0,0]=2 3993 B17R1.11 CCCCCCCNCCc1ccc(cc1)F 2230a_100000229938_100011217392 [0,1,1,0,0,0|0,0,0]=2 3994 B17R1.11 CCCCCCCNCCc1ccc(cc1)F 34a_100000199005_100000210614 [0,1,1,0,0,0|0,0,0]=2 3995 B17R1.11 CCCCCCCNCCc1ccc(cc1)O 2230a_100000229938_100009816426 [0,1,1,0,0,0|0,0,0]=2 3996 B17R1.11 CCCCCCCNCCc1ccc(cc1)O 34a_100000743037_100000210614 [0,1,1,0,0,0|0,0,0]=2 3997 B17R1.11 CCCCCCCOCCc1ccc(cc1)Br 34a_100000210272_100011740612 [0,1,1,0,0,0|1,0,0]=3 3998 B17R1.11 CCCCCCCOCCc1ccc(cc1)Br 34a_100000766406_100000210614 [0,1,1,0,0,0|1,0,0]=3 3999 B17R1.11 CCCCCCCOCCc1ccc(cc1)Br 7a_100000210272_100011740612 [0,1,1,0,0,0|1,0,0]=3 4000 B17R1.11 CCCCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210614 [0,1,1,0,0,0|1,0,0]=3 4001 B17R1.11 CCCCCCCOCCc1ccc(cc1)C 34a_100000210272_100011713686 [0,1,1,0,0,0|1,0,0]=3 4002 B17R1.11 CCCCCCCOCCc1ccc(cc1)C 34a_100000756670_100000210614 [0,1,1,0,0,0|1,0,0]=3 4003 B17R1.11 CCCCCCCOCCc1ccc(cc1)C 7a_100000210272_100011713686 [0,1,1,0,0,0|1,0,0]=3 4004 B17R1.11 CCCCCCCOCCc1ccc(cc1)C 7a_100000756670_100000210614 [0,1,1,0,0,0|1,0,0]=3 4005 B17R1.11 CCCCCCCOCCc1ccc(cc1)Cl 34a_100000210272_100011713675 [0,1,1,0,0,0|1,0,0]=3 4006 B17R1.11 CCCCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210614 [0,1,1,0,0,0|1,0,0]=3 4007 B17R1.11 CCCCCCCOCCc1ccc(cc1)Cl 7a_100000210272_100011713675 [0,1,1,0,0,0|1,0,0]=3 4008 B17R1.11 CCCCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210614 [0,1,1,0,0,0|1,0,0]=3 4009 B17R1.11 CCCCCCCOCCc1ccc(cc1)F 34a_100000210272_100011217392 [0,1,1,0,0,0|1,0,0]=3 4010 B17R1.11 CCCCCCCOCCc1ccc(cc1)F 34a_100000754732_100000210614 [0,1,1,0,0,0|1,0,0]=3 4011 B17R1.11 CCCCCCCOCCc1ccc(cc1)F 7a_100000210272_100011217392 [0,1,1,0,0,0|1,0,0]=3 4012 B17R1.11 CCCCCCCOCCc1ccc(cc1)F 7a_100000754732_100000210614 [0,1,1,0,0,0|1,0,0]=3 4013 B17R1.11 CCCCCCCOCCc1ccc(cc1)I 34a_100012291149_100000210614 [0,1,1,0,0,0|1,0,0]=3 4014 B17R1.11 CCCCCCCOCCc1ccc(cc1)I 7a_100012291149_100000210614 [0,1,1,0,0,0|1,0,0]=3 4015 B17R1.11 CCCCCCCOCCc1ccc(cc1)N 34a_100011204434_100000210614 [0,1,1,0,0,0|1,0,0]=3 4016 B17R1.11 CCCCCCCOCCc1ccc(cc1)O 7a_100000210272_100009816426 [0,1,1,0,0,0|1,0,0]=3 4017 B17R1.11 CCCCCCCOCCc1ccc(cn1)Br 34a_100012357577_100000210614 [0,1,1,0,0,0|2,0,0]=4 4018 B17R1.11 CCCCCCCOCCc1ccc(nc1)C 34a_100011815783_100000210614 [0,1,1,0,0,0|2,0,0]=4 4019 B17R1.11 CCCCCCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210614 [0,1,1,0,0,0|2,0,0]=4 4020 B17R1.11 CCCCCCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210614 [0,1,1,0,0,0|2,0,0]=4 4021 B17R1.11 CCCCCCCSCCc1ccc(cc1)Br 62a_100000210614_100011740612 [0,1,1,0,0,0|1,0,0]=3 4022 B17R1.11 CCCCCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210316 [0,1,1,0,0,0|1,0,0]=3 4023 B17R1.11 CCCCCCCSCCc1ccc(cc1)C 62a_100000210614_100011713686 [0,1,1,0,0,0|1,0,0]=3 4024 B17R1.11 CCCCCCCSCCc1ccc(cc1)C 62a_100011713686_100000210316 [0,1,1,0,0,0|1,0,0]=3 4025 B17R1.11 CCCCCCCSCCc1ccc(cc1)Cl 62a_100000210614_100011713675 [0,1,1,0,0,0|1,0,0]=3 4026 B17R1.11 CCCCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210316 [0,1,1,0,0,0|1,0,0]=3 4027 B17R1.11 CCCCCCCSCCc1ccc(cc1)F 62a_100000210614_100011217392 [0,1,1,0,0,0|1,0,0]=3 4028 B17R1.11 CCCCCCCSCCc1ccc(cc1)F 62a_100011217392_100000210316 [0,1,1,0,0,0|1,0,0]=3 4029 B17R1.11 CCCCCCCSCCc1ccc(cc1)O 62a_100000210614_100009816426 [0,1,1,0,0,0|1,0,0]=3 4030 B17R1.11 CCCCCCCSCCc1ccc(cc1)O 62a_100009816426_100000210316 [0,1,1,0,0,0|1,0,0]=3 4031 B17R1.11 CCCCCCNCCCc1ccc(cc1)Br 2230a_100000210581_100011713682 [0,1,1,0,0,0|2,0,0]=4 4032 B17R1.11 CCCCCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210314 [0,1,1,0,0,0|2,0,0]=4 4033 B17R1.11 CCCCCCNCCCc1ccc(cc1)Br 34a_100011297623_100000210314 [0,1,1,0,0,0|2,0,0]=4 4034 B17R1.11 CCCCCCNCCCc1ccc(cc1)C 2230a_100011236272_100000210314 [0,1,1,0,0,0|2,0,0]=4 4035 B17R1.11 CCCCCCNCCCc1ccc(cc1)C 34a_100011236272_100000210314 [0,1,1,0,0,0|2,0,0]=4 4036 B17R1.11 CCCCCCNCCCc1ccc(cc1)Cl 2230a_100000210581_100000759440 [0,1,1,0,0,0|2,0,0]=4 4037 B17R1.11 CCCCCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210314 [0,1,1,0,0,0|2,0,0]=4 4038 B17R1.11 CCCCCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210314 [0,1,1,0,0,0|2,0,0]=4 4039 B17R1.11 CCCCCCNCCCc1ccc(cc1)F 2230a_100000210581_200011713563 [0,1,1,0,0,0|2,0,0]=4 4040 B17R1.11 CCCCCCNCCCc1ccc(cc1)F 2230a_100025745824_100000210314 [0,1,1,0,0,0|2,0,0]=4 4041 B17R1.11 CCCCCCNCCCc1ccc(cc1)F 34a_100025745824_100000210314 [0,1,1,0,0,0|2,0,0]=4 4042 B17R1.11 CCCCCCOCCCc1ccc(cc1)Br 34a_100000210259_100011713682 [0,1,1,0,0,0|2,0,0]=4 4043 B17R1.11 CCCCCCOCCCc1ccc(cc1)Br 34a_100011709247_100000210314 [0,1,1,0,0,0|2,0,0]=4 4044 B17R1.11 CCCCCCOCCCc1ccc(cc1)Br 7a_100000210259_100011713682 [0,1,1,0,0,0|2,0,0]=4 4045 B17R1.11 CCCCCCOCCCc1ccc(cc1)Br 7a_100011709247_100000210314 [0,1,1,0,0,0|2,0,0]=4 4046 B17R1.11 CCCCCCOCCCc1ccc(cc1)C 34a_100000189427_100000210314 [0,1,1,0,0,0|2,0,0]=4 4047 B17R1.11 CCCCCCOCCCc1ccc(cc1)C 7a_100000189427_100000210314 [0,1,1,0,0,0|2,0,0]=4 4048 B17R1.11 CCCCCCOCCCc1ccc(cc1)Cl 34a_100000210259_100000759440 [0,1,1,0,0,0|2,0,0]=4 4049 B17R1.11 CCCCCCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210314 [0,1,1,0,0,0|2,0,0]=4 4050 B17R1.11 CCCCCCOCCCc1ccc(cc1)Cl 7a_100000210259_100000759440 [0,1,1,0,0,0|2,0,0]=4 4051 B17R1.11 CCCCCCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210314 [0,1,1,0,0,0|2,0,0]=4 4052 B17R1.11 CCCCCCOCCCc1ccc(cc1)F 34a_100000210259_200011713563 [0,1,1,0,0,0|2,0,0]=4 4053 B17R1.11 CCCCCCOCCCc1ccc(cc1)F 34a_100000757351_100000210314 [0,1,1,0,0,0|2,0,0]=4 4054 B17R1.11 CCCCCCOCCCc1ccc(cc1)F 7a_100000210259_200011713563 [0,1,1,0,0,0|2,0,0]=4 4055 B17R1.11 CCCCCCOCCCc1ccc(cc1)F 7a_100000757351_100000210314 [0,1,1,0,0,0|2,0,0]=4 4056 B17R1.11 CCCCCCSCCCc1ccc(cc1)Br 62a_100000210314_100011713682 [0,1,1,0,0,0|2,0,0]=4 4057 B17R1.11 CCCCCCSCCCc1ccc(cc1)Br 62a_100011713682_100000210757 [0,1,1,0,0,0|2,0,0]=4 4058 B17R1.11 CCCCCCSCCCc1ccc(cc1)Cl 62a_100000210314_100000759440 [0,1,1,0,0,0|2,0,0]=4 4059 B17R1.11 CCCCCCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210757 [0,1,1,0,0,0|2,0,0]=4 4060 B17R1.11 CCCCCCSCCCc1ccc(cc1)F 62a_100000210314_200011713563 [0,1,1,0,0,0|2,0,0]=4 4061 B17R1.11 CCCCCCSCCCc1ccc(cc1)F 62a_200011713563_100000210757 [0,1,1,0,0,0|2,0,0]=4 4062 B17R1.11 CCCCCNCCCCc1ccc(cc1)Br 2230a_100000209983_200012094861 [0,1,1,0,0,0|2,0,0]=4 4063 B17R1.11 CCCCCNCCCCc1ccc(cc1)Cl 2230a_100160821348_100000210326 [0,1,1,0,0,0|2,0,0]=4 4064 B17R1.11 CCCCCNCCCCc1ccc(cc1)Cl 34a_100160821348_100000718602 [0,1,1,0,0,0|2,0,0]=4 4065 B17R1.11 CCCCCNCCCCc1ccc(cc1)F 2230a_100000209983_100012093538 [0,1,1,0,0,0|2,0,0]=4 4066 B17R1.11 CCCCCOCCCCc1ccc(cc1)Br 34a_100000210253_200012094861 [0,1,1,0,0,0|2,0,0]=4 4067 B17R1.11 CCCCCOCCCCc1ccc(cc1)Br 7a_100000210253_200012094861 [0,1,1,0,0,0|2,0,0]=4 4068 B17R1.11 CCCCCOCCCCc1ccc(cc1)F 34a_100000210253_100012093538 [0,1,1,0,0,0|2,0,0]=4 4069 B17R1.11 CCCCCOCCCCc1ccc(cc1)F 7a_100000210253_100012093538 [0,1,1,0,0,0|2,0,0]=4 4070 B17R1.11 CCCCCSCCCCc1ccc(cc1)Br 62a_100000210326_200012094861 [0,1,1,0,0,0|2,0,0]=4 4071 B17R1.11 CCCCCSCCCCc1ccc(cc1)Br 62a_200012094861_100000210326 [0,1,1,0,0,0|2,0,0]=4 4072 B17R1.11 CCCCCSCCCCc1ccc(cc1)F 62a_100000210326_100012093538 [0,1,1,0,0,0|2,0,0]=4 4073 B17R1.11 CCCCCSCCCCc1ccc(cc1)F 62a_100012093538_100000210326 [0,1,1,0,0,0|2,0,0]=4 4074 B17R1.11 CCCCOCCNCCc1ccc(cc1)Br 2230a_100000755846_100000743108 [0,1,1,0,0,0|1,0,0]=3 4075 B17R1.11 CCCCOCCNCCc1ccc(cc1)Br 34a_100000755846_100000743108 [0,1,1,0,0,0|1,0,0]=3 4076 B17R1.11 CCCCOCCNCCc1ccc(cc1)C 2230a_100000705350_100000743108 [0,1,1,0,0,0|1,0,0]=3 4077 B17R1.11 CCCCOCCNCCc1ccc(cc1)C 34a_100000705350_100000743108 [0,1,1,0,0,0|1,0,0]=3 4078 B17R1.11 CCCCOCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000743108 [0,1,1,0,0,0|1,0,0]=3 4079 B17R1.11 CCCCOCCNCCc1ccc(cc1)Cl 34a_100000185265_100000743108 [0,1,1,0,0,0|1,0,0]=3 4080 B17R1.11 CCCCOCCNCCc1ccc(cc1)F 2230a_100000199005_100000743108 [0,1,1,0,0,0|1,0,0]=3 4081 B17R1.11 CCCCOCCNCCc1ccc(cc1)F 34a_100000199005_100000743108 [0,1,1,0,0,0|1,0,0]=3 4082 B17R1.11 CCCCOCCNCCc1ccc(cc1)O 34a_100000743037_100000743108 [0,1,1,0,0,0|1,0,0]=3 4083 B17R1.11 CCCCOCCOCCc1ccc(cc1)Br 34a_100000210238_100011740612 [0,1,1,0,0,0|2,0,0]=4 4084 B17R1.11 CCCCOCCOCCc1ccc(cc1)Br 34a_100000766406_100000743108 [0,1,1,0,0,0|2,0,0]=4 4085 B17R1.11 CCCCOCCOCCc1ccc(cc1)Br 7a_100000210238_100011740612 [0,1,1,0,0,0|2,0,0]=4 4086 B17R1.11 CCCCOCCOCCc1ccc(cc1)Br 7a_100000766406_100000743108 [0,1,1,0,0,0|2,0,0]=4 4087 B17R1.11 CCCCOCCOCCc1ccc(cc1)C 34a_100000210238_100011713686 [0,1,1,0,0,0|2,0,0]=4 4088 B17R1.11 CCCCOCCOCCc1ccc(cc1)C 34a_100000756670_100000743108 [0,1,1,0,0,0|2,0,0]=4 4089 B17R1.11 CCCCOCCOCCc1ccc(cc1)C 7a_100000210238_100011713686 [0,1,1,0,0,0|2,0,0]=4 4090 B17R1.11 CCCCOCCOCCc1ccc(cc1)C 7a_100000756670_100000743108 [0,1,1,0,0,0|2,0,0]=4 4091 B17R1.11 CCCCOCCOCCc1ccc(cc1)Cl 34a_100000210238_100011713675 [0,1,1,0,0,0|2,0,0]=4 4092 B17R1.11 CCCCOCCOCCc1ccc(cc1)Cl 34a_100011219627_100000743108 [0,1,1,0,0,0|2,0,0]=4 4093 B17R1.11 CCCCOCCOCCc1ccc(cc1)Cl 7a_100000210238_100011713675 [0,1,1,0,0,0|2,0,0]=4 4094 B17R1.11 CCCCOCCOCCc1ccc(cc1)Cl 7a_100011219627_100000743108 [0,1,1,0,0,0|2,0,0]=4 4095 B17R1.11 CCCCOCCOCCc1ccc(cc1)F 34a_100000210238_100011217392 [0,1,1,0,0,0|2,0,0]=4 4096 B17R1.11 CCCCOCCOCCc1ccc(cc1)F 34a_100000754732_100000743108 [0,1,1,0,0,0|2,0,0]=4 4097 B17R1.11 CCCCOCCOCCc1ccc(cc1)F 7a_100000210238_100011217392 [0,1,1,0,0,0|2,0,0]=4 4098 B17R1.11 CCCCOCCOCCc1ccc(cc1)F 7a_100000754732_100000743108 [0,1,1,0,0,0|2,0,0]=4 4099 B17R1.11 CCCCOCCOCCc1ccc(cc1)I 34a_100012291149_100000743108 [0,1,1,0,0,0|2,0,0]=4 4100 B17R1.11 CCCCOCCOCCc1ccc(cc1)I 7a_100012291149_100000743108 [0,1,1,0,0,0|2,0,0]=4 4101 B17R1.11 CCCCOCCOCCc1ccc(cc1)N 34a_100011204434_100000743108 [0,1,1,0,0,0|2,0,0]=4 4102 B17R1.11 CCCCOCCOCCc1ccc(cc1)O 7a_100000210238_100009816426 [0,1,1,0,0,0|2,0,0]=4 4103 B17R1.11 CCCCOCCSCCc1ccc(cc1)Br 62a_100000743108_100011740612 [0,1,1,0,0,0|2,0,0]=4 4104 B17R1.11 CCCCOCCSCCc1ccc(cc1)Br 62a_100011740612_100000743108 [0,1,1,0,0,0|2,0,0]=4 4105 B17R1.11 CCCCOCCSCCc1ccc(cc1)C 62a_100000743108_100011713686 [0,1,1,0,0,0|2,0,0]=4 4106 B17R1.11 CCCCOCCSCCc1ccc(cc1)C 62a_100011713686_100000743108 [0,1,1,0,0,0|2,0,0]=4 4107 B17R1.11 CCCCOCCSCCc1ccc(cc1)Cl 62a_100000743108_100011713675 [0,1,1,0,0,0|2,0,0]=4 4108 B17R1.11 CCCCOCCSCCc1ccc(cc1)Cl 62a_100011713675_100000743108 [0,1,1,0,0,0|2,0,0]=4 4109 B17R1.11 CCCCOCCSCCc1ccc(cc1)F 62a_100000743108_100011217392 [0,1,1,0,0,0|2,0,0]=4 4110 B17R1.11 CCCCOCCSCCc1ccc(cc1)F 62a_100011217392_100000743108 [0,1,1,0,0,0|2,0,0]=4 4111 B17R1.11 CCCCOCCSCCc1ccc(cc1)O 62a_100000743108_100009816426 [0,1,1,0,0,0|2,0,0]=4 4112 B17R1.11 CCCCOCCSCCc1ccc(cc1)O 62a_100009816426_100000743108 [0,1,1,0,0,0|2,0,0]=4 4113 B17R1.11 CCCCSCCNCCc1ccc(cc1)Br 2230a_100025743550_100011740612 [0,1,1,0,0,0|1,0,0]=3 4114 B17R1.11 CCCCSCCNCCc1ccc(cc1)C 2230a_100025743550_100011713686 [0,1,1,0,0,0|1,0,0]=3 4115 B17R1.11 CCCCSCCNCCc1ccc(cc1)Cl 2230a_100025743550_100011713675 [0,1,1,0,0,0|1,0,0]=3 4116 B17R1.11 CCCCSCCNCCc1ccc(cc1)F 2230a_100025743550_100011217392 [0,1,1,0,0,0|1,0,0]=3 4117 B17R1.11 CCCCSCCNCCc1ccc(cc1)O 2230a_100025743550_100009816426 [0,1,1,0,0,0|1,0,0]=3 4118 B17R1.11 CCCCSCCOCCc1ccc(cc1)Br 34a_200000230436_100011740612 [0,1,1,0,0,0|2,0,0]=4 4119 B17R1.11 CCCCSCCOCCc1ccc(cc1)Br 7a_200000230436_100011740612 [0,1,1,0,0,0|2,0,0]=4 4120 B17R1.11 CCCCSCCOCCc1ccc(cc1)C 34a_200000230436_100011713686 [0,1,1,0,0,0|2,0,0]=4 4121 B17R1.11 CCCCSCCOCCc1ccc(cc1)C 7a_200000230436_100011713686 [0,1,1,0,0,0|2,0,0]=4 4122 B17R1.11 CCCCSCCOCCc1ccc(cc1)Cl 34a_200000230436_100011713675 [0,1,1,0,0,0|2,0,0]=4 4123 B17R1.11 CCCCSCCOCCc1ccc(cc1)Cl 7a_200000230436_100011713675 [0,1,1,0,0,0|2,0,0]=4 4124 B17R1.11 CCCCSCCOCCc1ccc(cc1)F 34a_200000230436_100011217392 [0,1,1,0,0,0|2,0,0]=4 4125 B17R1.11 CCCCSCCOCCc1ccc(cc1)F 7a_200000230436_100011217392 [0,1,1,0,0,0|2,0,0]=4 4126 B17R1.11 CCCCSCCOCCc1ccc(cc1)O 7a_200000230436_100009816426 [0,1,1,0,0,0|2,0,0]=4 4127 B17R1.11 CCCOCCCNCCc1ccc(cc1)Br 2230a_100011217757_100011740612 [0,1,1,0,0,0|1,0,0]=3 4128 B17R1.11 CCCOCCCNCCc1ccc(cc1)Br 34a_100011217757_100011740612 [0,1,1,0,0,0|1,0,0]=3 4129 B17R1.11 CCCOCCCNCCc1ccc(cc1)C 2230a_100011217757_100011713686 [0,1,1,0,0,0|1,0,0]=3 4130 B17R1.11 CCCOCCCNCCc1ccc(cc1)C 34a_100011217757_100011713686 [0,1,1,0,0,0|1,0,0]=3 4131 B17R1.11 CCCOCCCNCCc1ccc(cc1)Cl 2230a_100011217757_100011713675 [0,1,1,0,0,0|1,0,0]=3 4132 B17R1.11 CCCOCCCNCCc1ccc(cc1)Cl 34a_100011217757_100011713675 [0,1,1,0,0,0|1,0,0]=3 4133 B17R1.11 CCCOCCCNCCc1ccc(cc1)F 2230a_100011217757_100011217392 [0,1,1,0,0,0|1,0,0]=3 4134 B17R1.11 CCCOCCCNCCc1ccc(cc1)F 34a_100011217757_100011217392 [0,1,1,0,0,0|1,0,0]=3 4135 B17R1.11 CCCOCCCNCCc1ccc(cc1)O 2230a_100011217757_100009816426 [0,1,1,0,0,0|1,0,0]=3 4136 B17R1.11 CNCCCCCOCCc1ccc(cc1)Br 34a_100000722520_100011740612 [0,1,1,0,0,0|2,0,0]=4 4137 B17R1.11 CNCCCCCOCCc1ccc(cc1)C 34a_100000722520_100011713686 [0,1,1,0,0,0|2,0,0]=4 4138 B17R1.11 CNCCCCCOCCc1ccc(cc1)Cl 34a_100000722520_100011713675 [0,1,1,0,0,0|2,0,0]=4 4139 B17R1.11 CNCCCCCOCCc1ccc(cc1)F 34a_100000722520_100011217392 [0,1,1,0,0,0|2,0,0]=4 4140 B17R1.11 COCCCCCNCCc1ccc(cc1)Br 2230a_100000747528_100011740612 [0,1,1,0,0,0|1,0,0]=3 4141 B17R1.11 COCCCCCNCCc1ccc(cc1)Br 34a_100000747528_100011740612 [0,1,1,0,0,0|1,0,0]=3 4142 B17R1.11 COCCCCCNCCc1ccc(cc1)C 2230a_100000747528_100011713686 [0,1,1,0,0,0|1,0,0]=3 4143 B17R1.11 COCCCCCNCCc1ccc(cc1)C 34a_100000747528_100011713686 [0,1,1,0,0,0|1,0,0]=3 4144 B17R1.11 COCCCCCNCCc1ccc(cc1)Cl 2230a_100000747528_100011713675 [0,1,1,0,0,0|1,0,0]=3 4145 B17R1.11 COCCCCCNCCc1ccc(cc1)Cl 34a_100000747528_100011713675 [0,1,1,0,0,0|1,0,0]=3 4146 B17R1.11 COCCCCCNCCc1ccc(cc1)F 2230a_100000747528_100011217392 [0,1,1,0,0,0|1,0,0]=3 4147 B17R1.11 COCCCCCNCCc1ccc(cc1)F 34a_100000747528_100011217392 [0,1,1,0,0,0|1,0,0]=3 4148 B17R1.11 COCCCCCNCCc1ccc(cc1)O 2230a_100000747528_100009816426 [0,1,1,0,0,0|1,0,0]=3 4149 B17R1.11 COCCOCCNCCc1ccc(cc1)Br 2230a_100000745349_100011740612 [0,1,1,0,0,0|2,0,0]=4 4150 B17R1.11 COCCOCCNCCc1ccc(cc1)Br 2230a_100000755846_100000695917 [0,1,1,0,0,0|2,0,0]=4 4151 B17R1.11 COCCOCCNCCc1ccc(cc1)Br 34a_100000745349_100011740612 [0,1,1,0,0,0|2,0,0]=4 4152 B17R1.11 COCCOCCNCCc1ccc(cc1)Br 34a_100000755846_100000695917 [0,1,1,0,0,0|2,0,0]=4 4153 B17R1.11 COCCOCCNCCc1ccc(cc1)C 2230a_100000705350_100000695917 [0,1,1,0,0,0|2,0,0]=4 4154 B17R1.11 COCCOCCNCCc1ccc(cc1)C 2230a_100000745349_100011713686 [0,1,1,0,0,0|2,0,0]=4 4155 B17R1.11 COCCOCCNCCc1ccc(cc1)C 34a_100000705350_100000695917 [0,1,1,0,0,0|2,0,0]=4 4156 B17R1.11 COCCOCCNCCc1ccc(cc1)C 34a_100000745349_100011713686 [0,1,1,0,0,0|2,0,0]=4 4157 B17R1.11 COCCOCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000695917 [0,1,1,0,0,0|2,0,0]=4 4158 B17R1.11 COCCOCCNCCc1ccc(cc1)Cl 2230a_100000745349_100011713675 [0,1,1,0,0,0|2,0,0]=4 4159 B17R1.11 COCCOCCNCCc1ccc(cc1)Cl 34a_100000185265_100000695917 [0,1,1,0,0,0|2,0,0]=4 4160 B17R1.11 COCCOCCNCCc1ccc(cc1)Cl 34a_100000745349_100011713675 [0,1,1,0,0,0|2,0,0]=4 4161 B17R1.11 COCCOCCNCCc1ccc(cc1)F 2230a_100000199005_100000695917 [0,1,1,0,0,0|2,0,0]=4 4162 B17R1.11 COCCOCCNCCc1ccc(cc1)F 2230a_100000745349_100011217392 [0,1,1,0,0,0|2,0,0]=4 4163 B17R1.11 COCCOCCNCCc1ccc(cc1)F 34a_100000199005_100000695917 [0,1,1,0,0,0|2,0,0]=4 4164 B17R1.11 COCCOCCNCCc1ccc(cc1)F 34a_100000745349_100011217392 [0,1,1,0,0,0|2,0,0]=4 4165 B17R1.11 COCCOCCNCCc1ccc(cc1)O 2230a_100000745349_100009816426 [0,1,1,0,0,0|2,0,0]=4 4166 B17R1.11 COCCOCCNCCc1ccc(cc1)O 34a_100000743037_100000695917 [0,1,1,0,0,0|2,0,0]=4 4167 B17R1.11 Cc1ccc(cc1)CCNCCCCCC#N 2230a_100000705350_100009813376 [0,1,1,0,0,0|1,0,1]=4 4168 B17R1.11 Cc1ccc(cc1)CCNCCCCCC=O 2230a_100000705350_100000139337 [0,1,1,0,0,0|1,0,1]=4 4169 B17R1.11 Cc1ccc(cc1)CCNCCCCCCF 2230a_100000705350_100015922095 [0,1,1,0,0,0|1,0,0]=3 4170 B17R1.11 Cc1ccc(cc1)CCNCCCCCCF 34a_100000705350_100015922095 [0,1,1,0,0,0|1,0,0]=3 4171 B17R1.11 Cc1ccc(cc1)CCNCCCCCCO 2230a_100000686447_100011713686 [0,1,1,0,0,0|1,0,0]=3 4172 B17R1.11 Cc1ccc(cc1)CCNCCCCCCO 2230a_100000705350_100000766143 [0,1,1,0,0,0|1,0,0]=3 4173 B17R1.11 Cc1ccc(cc1)CCNCCCCCCO 34a_100000686447_100011713686 [0,1,1,0,0,0|1,0,0]=3 4174 B17R1.11 Cc1ccc(cc1)CCNCCCCCCO 34a_100000705350_100000766143 [0,1,1,0,0,0|1,0,0]=3 4175 B17R1.11 Cc1ccc(cc1)CCOCCCCCCBr 34a_100011215345_100011713686 [0,1,1,0,0,0|2,0,0]=4 4176 B17R1.11 Cc1ccc(cc1)CCOCCCCCCBr 7a_100011215345_100011713686 [0,1,1,0,0,0|2,0,0]=4 4177 B17R1.11 Cc1ccc(cc1)CCOCCCCCCCl 34a_100000766143_100011713686 [0,1,1,0,0,0|2,0,0]=4 4178 B17R1.11 Cc1ccc(cc1)CCOCCCCCCCl 7a_100000766143_100011713686 [0,1,1,0,0,0|2,0,0]=4 4179 B17R1.11 Cc1ccc(cc1)CCOCCCCCCF 34a_100000732779_100011713686 [0,1,1,0,0,0|2,0,0]=4 4180 B17R1.11 Cc1ccc(cc1)CCOCCCCCCF 34a_100000756670_100015922095 [0,1,1,0,0,0|2,0,0]=4 4181 B17R1.11 Cc1ccc(cc1)CCOCCCCCCF 7a_100000732779_100011713686 [0,1,1,0,0,0|2,0,0]=4 4182 B17R1.11 Cc1ccc(cc1)CCOCCCCCCF 7a_100000756670_100015922095 [0,1,1,0,0,0|2,0,0]=4 4183 B17R1.11 Cc1ccc(cc1)CCOCCCCCCN 34a_100000686447_100011713686 [0,1,1,0,0,0|2,0,0]=4 4184 B17R1.11 Cc1ccc(cc1)CCOCCCCCCO 34a_100000756670_100000766143 [0,1,1,0,0,0|2,0,0]=4 4185 B17R1.11 Cc1ccc(cc1)CCOCCCCCCO 7a_100000756670_100000766143 [0,1,1,0,0,0|2,0,0]=4 4186 B17R1.11 Cc1ccc(cc1)CCSCCCCCCF 62a_100011713686_100015922095 [0,1,1,0,0,0|2,0,0]=4 4187 B17R1.11 Cc1ccc(cc1)CCSCCCCCCF 62a_100015922095_100011713686 [0,1,1,0,0,0|2,0,0]=4 4188 B17R1.11 Cc1ccc(cc1)CCSCCCCCCO 62a_100000766143_100011713686 [0,1,1,0,0,0|2,0,0]=4 4189 B17R1.11 Cc1ccc(cc1)CCSCCCCCCO 62a_100011713686_100000766143 [0,1,1,0,0,0|2,0,0]=4 4190 B17R1.11 ClCCCCCCOCCc1ccc(cc1)Br 34a_100000766143_100011740612 [0,1,1,0,0,0|2,0,0]=4 4191 B17R1.11 ClCCCCCCOCCc1ccc(cc1)Br 7a_100000766143_100011740612 [0,1,1,0,0,0|2,0,0]=4 4192 B17R1.11 ClCCCCCCOCCc1ccc(cc1)Cl 34a_100000766143_100011713675 [0,1,1,0,0,0|2,0,0]=4 4193 B17R1.11 ClCCCCCCOCCc1ccc(cc1)Cl 7a_100000766143_100011713675 [0,1,1,0,0,0|2,0,0]=4 4194 B17R1.11 Clc1ccc(cc1)CCOCCCCCCBr 34a_100011215345_100011713675 [0,1,1,0,0,0|2,0,0]=4 4195 B17R1.11 Clc1ccc(cc1)CCOCCCCCCBr 7a_100011215345_100011713675 [0,1,1,0,0,0|2,0,0]=4 4196 B17R1.11 FCCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100015922095 [0,1,1,0,0,0|1,0,0]=3 4197 B17R1.11 FCCCCCCNCCc1ccc(cc1)Br 34a_100000755846_100015922095 [0,1,1,0,0,0|1,0,0]=3 4198 B17R1.11 FCCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100015922095 [0,1,1,0,0,0|1,0,0]=3 4199 B17R1.11 FCCCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100015922095 [0,1,1,0,0,0|1,0,0]=3 4200 B17R1.11 FCCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100015922095 [0,1,1,0,0,0|1,0,0]=3 4201 B17R1.11 FCCCCCCNCCc1ccc(cc1)F 34a_100000199005_100015922095 [0,1,1,0,0,0|1,0,0]=3 4202 B17R1.11 FCCCCCCOCCc1ccc(cc1)Br 34a_100000732779_100011740612 [0,1,1,0,0,0|2,0,0]=4 4203 B17R1.11 FCCCCCCOCCc1ccc(cc1)Br 34a_100000766406_100015922095 [0,1,1,0,0,0|2,0,0]=4 4204 B17R1.11 FCCCCCCOCCc1ccc(cc1)Br 7a_100000732779_100011740612 [0,1,1,0,0,0|2,0,0]=4 4205 B17R1.11 FCCCCCCOCCc1ccc(cc1)Br 7a_100000766406_100015922095 [0,1,1,0,0,0|2,0,0]=4 4206 B17R1.11 FCCCCCCOCCc1ccc(cc1)Cl 34a_100000732779_100011713675 [0,1,1,0,0,0|2,0,0]=4 4207 B17R1.11 FCCCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100015922095 [0,1,1,0,0,0|2,0,0]=4 4208 B17R1.11 FCCCCCCOCCc1ccc(cc1)Cl 7a_100000732779_100011713675 [0,1,1,0,0,0|2,0,0]=4 4209 B17R1.11 FCCCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100015922095 [0,1,1,0,0,0|2,0,0]=4 4210 B17R1.11 FCCCCCCOCCc1ccc(cc1)F 34a_100000732779_100011217392 [0,1,1,0,0,0|2,0,0]=4 4211 B17R1.11 FCCCCCCOCCc1ccc(cc1)F 34a_100000754732_100015922095 [0,1,1,0,0,0|2,0,0]=4 4212 B17R1.11 FCCCCCCOCCc1ccc(cc1)F 7a_100000732779_100011217392 [0,1,1,0,0,0|2,0,0]=4 4213 B17R1.11 FCCCCCCOCCc1ccc(cc1)F 7a_100000754732_100015922095 [0,1,1,0,0,0|2,0,0]=4 4214 B17R1.11 FCCCCCCOCCc1ccc(cc1)I 34a_100012291149_100015922095 [0,1,1,0,0,0|2,0,0]=4 4215 B17R1.11 FCCCCCCOCCc1ccc(cc1)I 7a_100012291149_100015922095 [0,1,1,0,0,0|2,0,0]=4 4216 B17R1.11 FCCCCCCSCCc1ccc(cc1)Br 62a_100011740612_100015922095 [0,1,1,0,0,0|2,0,0]=4 4217 B17R1.11 FCCCCCCSCCc1ccc(cc1)Br 62a_100015922095_100011740612 [0,1,1,0,0,0|2,0,0]=4 4218 B17R1.11 FCCCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100015922095 [0,1,1,0,0,0|2,0,0]=4 4219 B17R1.11 FCCCCCCSCCc1ccc(cc1)Cl 62a_100015922095_100011713675 [0,1,1,0,0,0|2,0,0]=4 4220 B17R1.11 FCCCCCCSCCc1ccc(cc1)F 62a_100011217392_100015922095 [0,1,1,0,0,0|2,0,0]=4 4221 B17R1.11 FCCCCCCSCCc1ccc(cc1)F 62a_100015922095_100011217392 [0,1,1,0,0,0|2,0,0]=4 4222 B17R1.11 Fc1ccc(cc1)CCOCCCCCCBr 34a_100011215345_100011217392 [0,1,1,0,0,0|2,0,0]=4 4223 B17R1.11 Fc1ccc(cc1)CCOCCCCCCBr 7a_100011215345_100011217392 [0,1,1,0,0,0|2,0,0]=4 4224 B17R1.11 Fc1ccc(cc1)CCOCCCCCCCl 34a_100000766143_100011217392 [0,1,1,0,0,0|2,0,0]=4 4225 B17R1.11 Fc1ccc(cc1)CCOCCCCCCCl 7a_100000766143_100011217392 [0,1,1,0,0,0|2,0,0]=4 4226 B17R1.11 N#CCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100009813376 [0,1,1,0,0,0|1,0,1]=4 4227 B17R1.11 N#CCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100009813376 [0,1,1,0,0,0|1,0,1]=4 4228 B17R1.11 N#CCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100009813376 [0,1,1,0,0,0|1,0,1]=4 4229 B17R1.11 NCCCCCCOCCc1ccc(cc1)Br 34a_100000686447_100011740612 [0,1,1,0,0,0|2,0,0]=4 4230 B17R1.11 NCCCCCCOCCc1ccc(cc1)Cl 34a_100000686447_100011713675 [0,1,1,0,0,0|2,0,0]=4 4231 B17R1.11 NCCCCCCOCCc1ccc(cc1)F 34a_100000686447_100011217392 [0,1,1,0,0,0|2,0,0]=4 4232 B17R1.11 Nc1ccc(cc1)CCOCCCCCCF 34a_100011204434_100015922095 [0,1,1,0,0,0|2,0,0]=4 4233 B17R1.11 Nc1ccc(cc1)CCOCCCCCCO 34a_100011204434_100000766143 [0,1,1,0,0,0|2,0,0]=4 4234 B17R1.11 O=CCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000139337 [0,1,1,0,0,0|1,0,1]=4 4235 B17R1.11 O=CCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000139337 [0,1,1,0,0,0|1,0,1]=4 4236 B17R1.11 O=CCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000139337 [0,1,1,0,0,0|1,0,1]=4 4237 B17R1.11 OCCCCCCNCCc1ccc(cc1)Br 2230a_100000686447_100011740612 [0,1,1,0,0,0|1,0,0]=3 4238 B17R1.11 OCCCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000766143 [0,1,1,0,0,0|1,0,0]=3 4239 B17R1.11 OCCCCCCNCCc1ccc(cc1)Br 34a_100000686447_100011740612 [0,1,1,0,0,0|1,0,0]=3 4240 B17R1.11 OCCCCCCNCCc1ccc(cc1)Br 34a_100000755846_100000766143 [0,1,1,0,0,0|1,0,0]=3 4241 B17R1.11 OCCCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766143 [0,1,1,0,0,0|1,0,0]=3 4242 B17R1.11 OCCCCCCNCCc1ccc(cc1)Cl 2230a_100000686447_100011713675 [0,1,1,0,0,0|1,0,0]=3 4243 B17R1.11 OCCCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000766143 [0,1,1,0,0,0|1,0,0]=3 4244 B17R1.11 OCCCCCCNCCc1ccc(cc1)Cl 34a_100000686447_100011713675 [0,1,1,0,0,0|1,0,0]=3 4245 B17R1.11 OCCCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000766143 [0,1,1,0,0,0|1,0,0]=3 4246 B17R1.11 OCCCCCCNCCc1ccc(cc1)F 2230a_100000686447_100011217392 [0,1,1,0,0,0|1,0,0]=3 4247 B17R1.11 OCCCCCCNCCc1ccc(cc1)F 34a_100000199005_100000766143 [0,1,1,0,0,0|1,0,0]=3 4248 B17R1.11 OCCCCCCNCCc1ccc(cc1)F 34a_100000686447_100011217392 [0,1,1,0,0,0|1,0,0]=3 4249 B17R1.11 OCCCCCCNCCc1ccc(cc1)O 2230a_100000686447_100009816426 [0,1,1,0,0,0|1,0,0]=3 4250 B17R1.11 OCCCCCCNCCc1ccc(cc1)O 34a_100000743037_100000766143 [0,1,1,0,0,0|1,0,0]=3 4251 B17R1.11 OCCCCCCOCCc1ccc(cc1)Br 34a_100000766406_100000766143 [0,1,1,0,0,0|2,0,0]=4 4252 B17R1.11 OCCCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000766143 [0,1,1,0,0,0|2,0,0]=4 4253 B17R1.11 OCCCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000766143 [0,1,1,0,0,0|2,0,0]=4 4254 B17R1.11 OCCCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000766143 [0,1,1,0,0,0|2,0,0]=4 4255 B17R1.11 OCCCCCCOCCc1ccc(cc1)F 34a_100000754732_100000766143 [0,1,1,0,0,0|2,0,0]=4 4256 B17R1.11 OCCCCCCOCCc1ccc(cc1)F 7a_100000754732_100000766143 [0,1,1,0,0,0|2,0,0]=4 4257 B17R1.11 OCCCCCCOCCc1ccc(cc1)I 34a_100012291149_100000766143 [0,1,1,0,0,0|2,0,0]=4 4258 B17R1.11 OCCCCCCOCCc1ccc(cc1)I 7a_100012291149_100000766143 [0,1,1,0,0,0|2,0,0]=4 4259 B17R1.11 OCCCCCCSCCc1ccc(cc1)Br 62a_100000766143_100011740612 [0,1,1,0,0,0|2,0,0]=4 4260 B17R1.11 OCCCCCCSCCc1ccc(cc1)Br 62a_100011740612_100000766143 [0,1,1,0,0,0|2,0,0]=4 4261 B17R1.11 OCCCCCCSCCc1ccc(cc1)Cl 62a_100000766143_100011713675 [0,1,1,0,0,0|2,0,0]=4 4262 B17R1.11 OCCCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000766143 [0,1,1,0,0,0|2,0,0]=4 4263 B17R1.11 OCCCCCCSCCc1ccc(cc1)F 62a_100000766143_100011217392 [0,1,1,0,0,0|2,0,0]=4 4264 B17R1.11 OCCCCCCSCCc1ccc(cc1)F 62a_100011217392_100000766143 [0,1,1,0,0,0|2,0,0]=4 4265 B17R1.11 OCCCCCCSCCc1ccc(cc1)O 62a_100000766143_100009816426 [0,1,1,0,0,0|2,0,0]=4 4266 B17R1.11 OCCCCCCSCCc1ccc(cc1)O 62a_100009816426_100000766143 [0,1,1,0,0,0|2,0,0]=4 4267 B17R1.11 Oc1ccc(cc1)CCNCCCCCCF 34a_100000743037_100015922095 [0,1,1,0,0,0|1,0,0]=3 4268 B17R1.11 Oc1ccc(cc1)CCOCCCCCCBr 7a_100011215345_100009816426 [0,1,1,0,0,0|2,0,0]=4 4269 B17R1.11 Oc1ccc(cc1)CCOCCCCCCCl 7a_100000766143_100009816426 [0,1,1,0,0,0|2,0,0]=4 4270 B17R1.11 Oc1ccc(cc1)CCOCCCCCCF 7a_100000732779_100009816426 [0,1,1,0,0,0|2,0,0]=4 4271 B17R1.11 Oc1ccc(cc1)CCSCCCCCCF 62a_100009816426_100015922095 [0,1,1,0,0,0|2,0,0]=4 4272 B17R1.11 Oc1ccc(cc1)CCSCCCCCCF 62a_100015922095_100009816426 [0,1,1,0,0,0|2,0,0]=4 4273 B17R1.716 BrCCCCCCOCCc1cccc(c1)Br 34a_100011215345_100011740638 [0,1,1,0,0,0|2,0,0]=4 4274 B17R1.716 BrCCCCCCOCCc1cccc(c1)Br 7a_100011215345_100011740638 [0,1,1,0,0,0|2,0,0]=4 4275 B17R1.716 C#CCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100012094781 [0,1,1,0,0,0|0,0,2]=4 4276 B17R1.716 C#CCCCCCNCCc1cccc(c1)Br 34a_100011207229_100012094781 [0,1,1,0,0,0|0,0,2]=4 4277 B17R1.716 C#CCCCCCNCCc1cccc(c1)C 2230a_100000749837_100012094781 [0,1,1,0,0,0|0,0,2]=4 4278 B17R1.716 C#CCCCCCNCCc1cccc(c1)C 34a_100000749837_100012094781 [0,1,1,0,0,0|0,0,2]=4 4279 B17R1.716 C#CCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100012094781 [0,1,1,0,0,0|0,0,2]=4 4280 B17R1.716 C#CCCCCCNCCc1cccc(c1)Cl 34a_100000185263_100012094781 [0,1,1,0,0,0|0,0,2]=4 4281 B17R1.716 C#CCCCCCNCCc1cccc(c1)F 2230a_100000205154_100012094781 [0,1,1,0,0,0|0,0,2]=4 4282 B17R1.716 C#CCCCCCNCCc1cccc(c1)F 34a_100000205154_100012094781 [0,1,1,0,0,0|0,0,2]=4 4283 B17R1.716 C#CCCCCCNCCc1cccc(c1)O 2230a_100000747277_100012094781 [0,1,1,0,0,0|0,0,2]=4 4284 B17R1.716 C#CCCCCCNCCc1cccc(c1)O 34a_100000747277_100012094781 [0,1,1,0,0,0|0,0,2]=4 4285 B17R1.716 C=CCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100000700193 [0,1,1,0,0,0|0,0,2]=4 4286 B17R1.716 C=CCCCCCNCCc1cccc(c1)Br 34a_100011207229_100000700193 [0,1,1,0,0,0|0,0,2]=4 4287 B17R1.716 C=CCCCCCNCCc1cccc(c1)C 2230a_100000749837_100000700193 [0,1,1,0,0,0|0,0,2]=4 4288 B17R1.716 C=CCCCCCNCCc1cccc(c1)C 34a_100000749837_100000700193 [0,1,1,0,0,0|0,0,2]=4 4289 B17R1.716 C=CCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000700193 [0,1,1,0,0,0|0,0,2]=4 4290 B17R1.716 C=CCCCCCNCCc1cccc(c1)Cl 34a_100000185263_100000700193 [0,1,1,0,0,0|0,0,2]=4 4291 B17R1.716 C=CCCCCCNCCc1cccc(c1)F 2230a_100000205154_100000700193 [0,1,1,0,0,0|0,0,2]=4 4292 B17R1.716 C=CCCCCCNCCc1cccc(c1)F 34a_100000205154_100000700193 [0,1,1,0,0,0|0,0,2]=4 4293 B17R1.716 C=CCCCCCNCCc1cccc(c1)O 2230a_100000747277_100000700193 [0,1,1,0,0,0|0,0,2]=4 4294 B17R1.716 C=CCCCCCNCCc1cccc(c1)O 34a_100000747277_100000700193 [0,1,1,0,0,0|0,0,2]=4 4295 B17R1.716 CCCCCCCCCCc1cc(ccn1)C 271570a_100000061613_100000750283 [0,1,1,0,0,0|2,0,0]=4 4296 B17R1.716 CCCCCCCCCCc1cc(ccn1)Cl 271570a_100000061613_100010167805 [0,1,1,0,0,0|2,0,0]=4 4297 B17R1.716 CCCCCCCCCCc1cc(ccn1)F 271570a_100000061613_100009817058 [0,1,1,0,0,0|2,0,0]=4 4298 B17R1.716 CCCCCCCCCCc1cc(ccn1)N 271570a_100000061613_100009814236 [0,1,1,0,0,0|2,0,0]=4 4299 B17R1.716 CCCCCCCCCCc1cc(ccn1)O 271570a_100000061613_100000762945 [0,1,1,0,0,0|2,0,0]=4 4300 B17R1.716 CCCCCCCCCCc1cc[nH]c(=O)c1 271570a_100000061613_100009816521 [0,1,1,0,0,0|2,0,0]=4 4301 B17R1.716 CCCCCCCCCCc1ccc[n+](c1)C 271570a_100000061613_100009996589 [0,1,1,0,0,0|2,0,0]=4 4302 B17R1.716 CCCCCCCCCCc1ccc[n+](c1)[O-] 271570a_100000061613_100009815978 [0,1,1,0,0,0|2,0,0]=4 4303 B17R1.716 CCCCCCCCCCc1cccc(=O)[nH]1 271570a_100000061613_100000761760 [0,1,1,0,0,0|2,0,0]=4 4304 B17R1.716 CCCCCCCCCCc1cccc(c1)C 271570a_100000061613_100011215228 [0,1,1,0,0,0|1,0,0]=3 4305 B17R1.716 CCCCCCCCCCc1cccc(c1)F 271570a_100000061613_100000685547 [0,1,1,0,0,0|1,0,0]=3 4306 B17R1.716 CCCCCCCCCCc1cccc(c1)N 271570a_100000061613_100000210019 [0,1,1,0,0,0|1,0,0]=3 4307 B17R1.716 CCCCCCCCCCc1cccc(c1)O 271570a_100000061613_100000211634 [0,1,1,0,0,0|1,0,0]=3 4308 B17R1.716 CCCCCCCCCCc1cccc(c1)[S] 271570a_100000061613_114929384022 [0,1,1,0,0,0|1,0,0]=3 4309 B17R1.716 CCCCCCCCCCc1cccc(n1)Br 271570a_100000061613_100000684672 [0,1,1,0,0,0|2,0,0]=4 4310 B17R1.716 CCCCCCCCCCc1cccc(n1)C 271570a_100000061613_100000742759 [0,1,1,0,0,0|2,0,0]=4 4311 B17R1.716 CCCCCCCCCCc1cccc(n1)F 271570a_100000061613_100009815982 [0,1,1,0,0,0|2,0,0]=4 4312 B17R1.716 CCCCCCCCCCc1cccc(n1)N 271570a_100000061613_100000740741 [0,1,1,0,0,0|2,0,0]=4 4313 B17R1.716 CCCCCCCCCCc1ccnc(c1)Br 271570a_100000061613_100009814637 [0,1,1,0,0,0|2,0,0]=4 4314 B17R1.716 CCCCCCCCCCc1ccnc(c1)C 271570a_100000061613_100000758586 [0,1,1,0,0,0|2,0,0]=4 4315 B17R1.716 CCCCCCCCCCc1ccnc(c1)Cl 271570a_100000061613_100000035001 [0,1,1,0,0,0|2,0,0]=4 4316 B17R1.716 CCCCCCCCCCc1ccnc(c1)F 271570a_100000061613_100009816116 [0,1,1,0,0,0|2,0,0]=4 4317 B17R1.716 CCCCCCCCCCc1ccnc(c1)N 271570a_100000061613_100000744379 [0,1,1,0,0,0|2,0,0]=4 4318 B17R1.716 CCCCCCCCCCc1cncc(c1)Br 271570a_100000061613_100000728054 [0,1,1,0,0,0|2,0,0]=4 4319 B17R1.716 CCCCCCCCCCc1cncc(c1)C 271570a_100000061613_100000760492 [0,1,1,0,0,0|2,0,0]=4 4320 B17R1.716 CCCCCCCCCCc1cncc(c1)Cl 271570a_100000061613_100000049639 [0,1,1,0,0,0|2,0,0]=4 4321 B17R1.716 CCCCCCCCCCc1cncc(c1)F 271570a_100000061613_100000744099 [0,1,1,0,0,0|2,0,0]=4 4322 B17R1.716 CCCCCCCCCCc1cncc(c1)N 271570a_100000061613_100000687067 [0,1,1,0,0,0|2,0,0]=4 4323 B17R1.716 CCCCCCCCCCc1cncc(c1)O 271570a_100000061613_100000754920 [0,1,1,0,0,0|2,0,0]=4 4324 B17R1.716 CCCCCCCCCNc1cccc(c1)Br 34a_100000210019_100011214924 [0,1,1,0,0,0|2,0,0]=4 4325 B17R1.716 CCCCCCCCCNc1cccc(c1)C 2230a_100000188690_100011214924 [0,1,1,0,0,0|2,0,0]=4 4326 B17R1.716 CCCCCCCCCNc1cccc(c1)C 34a_100000188690_100011214924 [0,1,1,0,0,0|2,0,0]=4 4327 B17R1.716 CCCCCCCCCNc1cccc(c1)Cl 34a_100000185859_100011214924 [0,1,1,0,0,0|2,0,0]=4 4328 B17R1.716 CCCCCCCCCNc1cccc(c1)F 34a_100000210047_100011214924 [0,1,1,0,0,0|2,0,0]=4 4329 B17R1.716 CCCCCCCCCNc1cccc(c1)I 34a_100000211102_100011214924 [0,1,1,0,0,0|2,0,0]=4 4330 B17R1.716 CCCCCCCCCNc1cccc(c1)O 34a_100000210217_100011214924 [0,1,1,0,0,0|2,0,0]=4 4331 B17R1.716 CCCCCCCCCOc1cccc(c1)Br 34a_100000210342_100011214924 [0,1,1,0,0,0|2,0,0]=4 4332 B17R1.716 CCCCCCCCCOc1cccc(c1)Br 7a_100000210342_100000210328 [0,1,1,0,0,0|2,0,0]=4 4333 B17R1.716 CCCCCCCCCOc1cccc(c1)C 34a_100000210337_100011214924 [0,1,1,0,0,0|2,0,0]=4 4334 B17R1.716 CCCCCCCCCOc1cccc(c1)C 7a_100000210337_100000210328 [0,1,1,0,0,0|2,0,0]=4 4335 B17R1.716 CCCCCCCCCOc1cccc(c1)Cl 34a_100000210295_100011214924 [0,1,1,0,0,0|2,0,0]=4 4336 B17R1.716 CCCCCCCCCOc1cccc(c1)Cl 7a_100000210295_100000210328 [0,1,1,0,0,0|2,0,0]=4 4337 B17R1.716 CCCCCCCCCOc1cccc(c1)F 34a_100000210426_100011214924 [0,1,1,0,0,0|2,0,0]=4 4338 B17R1.716 CCCCCCCCCOc1cccc(c1)F 7a_100000210426_100000210328 [0,1,1,0,0,0|2,0,0]=4 4339 B17R1.716 CCCCCCCCCOc1cccc(c1)I 34a_100000211634_100011214924 [0,1,1,0,0,0|2,0,0]=4 4340 B17R1.716 CCCCCCCCCOc1cccc(c1)I 7a_100000211634_100000210328 [0,1,1,0,0,0|2,0,0]=4 4341 B17R1.716 CCCCCCCCCOc1cccc(c1)N 34a_100000210217_100011214924 [0,1,1,0,0,0|2,0,0]=4 4342 B17R1.716 CCCCCCCCCSc1cccc(c1)C 62a_100011215228_100000210670 [0,1,1,0,0,0|2,0,0]=4 4343 B17R1.716 CCCCCCCCCSc1cccc(c1)F 62a_100000685547_100000210670 [0,1,1,0,0,0|2,0,0]=4 4344 B17R1.716 CCCCCCCCCSc1cccc(c1)N 62a_100000210019_100000210670 [0,1,1,0,0,0|2,0,0]=4 4345 B17R1.716 CCCCCCCCNCc1cccc(c1)Br 207a_100000229939_100000210085 [0,1,1,0,0,0|2,0,0]=4 4346 B17R1.716 CCCCCCCCNCc1cccc(c1)Br 2230a_100000174977_100000210759 [0,1,1,0,0,0|2,0,0]=4 4347 B17R1.716 CCCCCCCCNCc1cccc(c1)Br 2230a_100000229939_100000698116 [0,1,1,0,0,0|2,0,0]=4 4348 B17R1.716 CCCCCCCCNCc1cccc(c1)Br 270004a_100000229939_100000210085 [0,1,1,0,0,0|2,0,0]=4 4349 B17R1.716 CCCCCCCCNCc1cccc(c1)Br 34a_100000174977_100000210759 [0,1,1,0,0,0|2,0,0]=4 4350 B17R1.716 CCCCCCCCNCc1cccc(c1)Br 34a_100000229939_100000698116 [0,1,1,0,0,0|2,0,0]=4 4351 B17R1.716 CCCCCCCCNCc1cccc(c1)C 207a_100000229939_100000211157 [0,1,1,0,0,0|2,0,0]=4 4352 B17R1.716 CCCCCCCCNCc1cccc(c1)C 2230a_100000185548_100000210759 [0,1,1,0,0,0|2,0,0]=4 4353 B17R1.716 CCCCCCCCNCc1cccc(c1)C 2230a_100000229939_100000211840 [0,1,1,0,0,0|2,0,0]=4 4354 B17R1.716 CCCCCCCCNCc1cccc(c1)C 270004a_100000229939_100000211157 [0,1,1,0,0,0|2,0,0]=4 4355 B17R1.716 CCCCCCCCNCc1cccc(c1)C 34a_100000185548_100000210759 [0,1,1,0,0,0|2,0,0]=4 4356 B17R1.716 CCCCCCCCNCc1cccc(c1)C 34a_100000229939_100000211840 [0,1,1,0,0,0|2,0,0]=4 4357 B17R1.716 CCCCCCCCNCc1cccc(c1)Cl 207a_100000229939_100000210801 [0,1,1,0,0,0|2,0,0]=4 4358 B17R1.716 CCCCCCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210759 [0,1,1,0,0,0|2,0,0]=4 4359 B17R1.716 CCCCCCCCNCc1cccc(c1)Cl 2230a_100000229939_100000181238 [0,1,1,0,0,0|2,0,0]=4 4360 B17R1.716 CCCCCCCCNCc1cccc(c1)Cl 270004a_100000229939_100000210801 [0,1,1,0,0,0|2,0,0]=4 4361 B17R1.716 CCCCCCCCNCc1cccc(c1)Cl 34a_100000174878_100000210759 [0,1,1,0,0,0|2,0,0]=4 4362 B17R1.716 CCCCCCCCNCc1cccc(c1)Cl 34a_100000229939_100000187163 [0,1,1,0,0,0|2,0,0]=4 4363 B17R1.716 CCCCCCCCNCc1cccc(c1)F 207a_100000229939_100000210812 [0,1,1,0,0,0|2,0,0]=4 4364 B17R1.716 CCCCCCCCNCc1cccc(c1)F 2230a_100000174948_100000210759 [0,1,1,0,0,0|2,0,0]=4 4365 B17R1.716 CCCCCCCCNCc1cccc(c1)F 2230a_100000229939_100000230114 [0,1,1,0,0,0|2,0,0]=4 4366 B17R1.716 CCCCCCCCNCc1cccc(c1)F 270004a_100000229939_100000210812 [0,1,1,0,0,0|2,0,0]=4 4367 B17R1.716 CCCCCCCCNCc1cccc(c1)F 34a_100000174948_100000210759 [0,1,1,0,0,0|2,0,0]=4 4368 B17R1.716 CCCCCCCCNCc1cccc(c1)F 34a_100000229939_100000187166 [0,1,1,0,0,0|2,0,0]=4 4369 B17R1.716 CCCCCCCCNCc1cccc(c1)I 207a_100000229939_100000014684 [0,1,1,0,0,0|2,0,0]=4 4370 B17R1.716 CCCCCCCCNCc1cccc(c1)I 2230a_100000106179_100000210759 [0,1,1,0,0,0|2,0,0]=4 4371 B17R1.716 CCCCCCCCNCc1cccc(c1)I 2230a_100000229939_100011218688 [0,1,1,0,0,0|2,0,0]=4 4372 B17R1.716 CCCCCCCCNCc1cccc(c1)I 270004a_100000229939_100000014684 [0,1,1,0,0,0|2,0,0]=4 4373 B17R1.716 CCCCCCCCNCc1cccc(c1)I 34a_100000106179_100000210759 [0,1,1,0,0,0|2,0,0]=4 4374 B17R1.716 CCCCCCCCNCc1cccc(c1)I 34a_100000229939_100011218688 [0,1,1,0,0,0|2,0,0]=4 4375 B17R1.716 CCCCCCCCNCc1cccc(c1)O 207a_100000229939_100000188321 [0,1,1,0,0,0|2,0,0]=4 4376 B17R1.716 CCCCCCCCNCc1cccc(c1)O 2230a_100000229939_100011660834 [0,1,1,0,0,0|2,0,0]=4 4377 B17R1.716 CCCCCCCCNCc1cccc(c1)O 2230a_100000743036_100000210759 [0,1,1,0,0,0|2,0,0]=4 4378 B17R1.716 CCCCCCCCNCc1cccc(c1)O 270004a_100000229939_100000188321 [0,1,1,0,0,0|2,0,0]=4 4379 B17R1.716 CCCCCCCCNCc1cccc(c1)O 34a_100000229939_100011660834 [0,1,1,0,0,0|2,0,0]=4 4380 B17R1.716 CCCCCCCCNCc1cccc(c1)O 34a_100000743036_100000210759 [0,1,1,0,0,0|2,0,0]=4 4381 B17R1.716 CCCCCCCCOCc1cccc(c1)Br 34a_100000210232_100000698116 [0,1,1,0,0,0|2,0,0]=4 4382 B17R1.716 CCCCCCCCOCc1cccc(c1)Br 34a_100000687537_100000210759 [0,1,1,0,0,0|2,0,0]=4 4383 B17R1.716 CCCCCCCCOCc1cccc(c1)Br 7a_100000210232_100000211773 [0,1,1,0,0,0|2,0,0]=4 4384 B17R1.716 CCCCCCCCOCc1cccc(c1)Br 7a_100000687537_100000210759 [0,1,1,0,0,0|2,0,0]=4 4385 B17R1.716 CCCCCCCCOCc1cccc(c1)C 34a_100000210232_100000211840 [0,1,1,0,0,0|2,0,0]=4 4386 B17R1.716 CCCCCCCCOCc1cccc(c1)C 34a_100011217746_100000210759 [0,1,1,0,0,0|2,0,0]=4 4387 B17R1.716 CCCCCCCCOCc1cccc(c1)C 7a_100000210232_100000211840 [0,1,1,0,0,0|2,0,0]=4 4388 B17R1.716 CCCCCCCCOCc1cccc(c1)C 7a_100011217746_100000210759 [0,1,1,0,0,0|2,0,0]=4 4389 B17R1.716 CCCCCCCCOCc1cccc(c1)Cl 34a_100000210232_100000187163 [0,1,1,0,0,0|2,0,0]=4 4390 B17R1.716 CCCCCCCCOCc1cccc(c1)Cl 34a_100000241301_100000210759 [0,1,1,0,0,0|2,0,0]=4 4391 B17R1.716 CCCCCCCCOCc1cccc(c1)Cl 7a_100000210232_100000187163 [0,1,1,0,0,0|2,0,0]=4 4392 B17R1.716 CCCCCCCCOCc1cccc(c1)Cl 7a_100000241301_100000210759 [0,1,1,0,0,0|2,0,0]=4 4393 B17R1.716 CCCCCCCCOCc1cccc(c1)F 34a_100000210232_100000187166 [0,1,1,0,0,0|2,0,0]=4 4394 B17R1.716 CCCCCCCCOCc1cccc(c1)F 34a_100000210976_100000210759 [0,1,1,0,0,0|2,0,0]=4 4395 B17R1.716 CCCCCCCCOCc1cccc(c1)F 7a_100000210232_100000230114 [0,1,1,0,0,0|2,0,0]=4 4396 B17R1.716 CCCCCCCCOCc1cccc(c1)F 7a_100000210976_100000210759 [0,1,1,0,0,0|2,0,0]=4 4397 B17R1.716 CCCCCCCCOCc1cccc(c1)I 34a_100000210232_100011218688 [0,1,1,0,0,0|2,0,0]=4 4398 B17R1.716 CCCCCCCCOCc1cccc(c1)I 34a_100011215336_100000210759 [0,1,1,0,0,0|2,0,0]=4 4399 B17R1.716 CCCCCCCCOCc1cccc(c1)I 7a_100000210232_100011218688 [0,1,1,0,0,0|2,0,0]=4 4400 B17R1.716 CCCCCCCCOCc1cccc(c1)I 7a_100011215336_100000210759 [0,1,1,0,0,0|2,0,0]=4 4401 B17R1.716 CCCCCCCCOCc1cccc(c1)N 34a_100000211919_100000210759 [0,1,1,0,0,0|2,0,0]=4 4402 B17R1.716 CCCCCCCCOCc1cccc(c1)O 34a_100000210232_100011660834 [0,1,1,0,0,0|2,0,0]=4 4403 B17R1.716 CCCCCCCCOCc1cccc(c1)O 7a_100000210232_100000084143 [0,1,1,0,0,0|2,0,0]=4 4404 B17R1.716 CCCCCCCCSCc1cccc(c1)C 62a_100000210759_100000211840 [0,1,1,0,0,0|2,0,0]=4 4405 B17R1.716 CCCCCCCCSCc1cccc(c1)C 62a_100000211840_100000210317 [0,1,1,0,0,0|2,0,0]=4 4406 B17R1.716 CCCCCCCCSCc1cccc(c1)Cl 62a_100000187163_100000210317 [0,1,1,0,0,0|2,0,0]=4 4407 B17R1.716 CCCCCCCCSCc1cccc(c1)Cl 62a_100000210759_100000187163 [0,1,1,0,0,0|2,0,0]=4 4408 B17R1.716 CCCCCCCCSCc1cccc(c1)F 62a_100000210759_100000230114 [0,1,1,0,0,0|2,0,0]=4 4409 B17R1.716 CCCCCCCCSCc1cccc(c1)F 62a_100000230114_100000210317 [0,1,1,0,0,0|2,0,0]=4 4410 B17R1.716 CCCCCCCCSCc1cccc(c1)I 62a_100000210759_100011218688 [0,1,1,0,0,0|2,0,0]=4 4411 B17R1.716 CCCCCCCCSCc1cccc(c1)I 62a_100011218688_100000210317 [0,1,1,0,0,0|2,0,0]=4 4412 B17R1.716 CCCCCCCCSCc1cccc(c1)O 62a_100000210759_100011660834 [0,1,1,0,0,0|2,0,0]=4 4413 B17R1.716 CCCCCCCCSCc1cccc(c1)O 62a_100011660834_100000210317 [0,1,1,0,0,0|2,0,0]=4 4414 B17R1.716 CCCCCCCNCCc1cccc(c1)Br 2230a_100000229938_100011740638 [0,1,1,0,0,0|0,0,0]=2 4415 B17R1.716 CCCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100000210681 [0,1,1,0,0,0|0,0,0]=2 4416 B17R1.716 CCCCCCCNCCc1cccc(c1)Br 34a_100011207229_100000210614 [0,1,1,0,0,0|0,0,0]=2 4417 B17R1.716 CCCCCCCNCCc1cccc(c1)C 2230a_100000229938_100011713685 [0,1,1,0,0,0|0,0,0]=2 4418 B17R1.716 CCCCCCCNCCc1cccc(c1)C 2230a_100000749837_100000210681 [0,1,1,0,0,0|0,0,0]=2 4419 B17R1.716 CCCCCCCNCCc1cccc(c1)C 34a_100000749837_100000210614 [0,1,1,0,0,0|0,0,0]=2 4420 B17R1.716 CCCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210681 [0,1,1,0,0,0|0,0,0]=2 4421 B17R1.716 CCCCCCCNCCc1cccc(c1)Cl 2230a_100000229938_100011713710 [0,1,1,0,0,0|0,0,0]=2 4422 B17R1.716 CCCCCCCNCCc1cccc(c1)Cl 34a_100000185263_100000210614 [0,1,1,0,0,0|0,0,0]=2 4423 B17R1.716 CCCCCCCNCCc1cccc(c1)F 2230a_100000205154_100000210681 [0,1,1,0,0,0|0,0,0]=2 4424 B17R1.716 CCCCCCCNCCc1cccc(c1)F 2230a_100000229938_100011217235 [0,1,1,0,0,0|0,0,0]=2 4425 B17R1.716 CCCCCCCNCCc1cccc(c1)F 34a_100000205154_100000210614 [0,1,1,0,0,0|0,0,0]=2 4426 B17R1.716 CCCCCCCNCCc1cccc(c1)O 2230a_100000747277_100000210681 [0,1,1,0,0,0|0,0,0]=2 4427 B17R1.716 CCCCCCCNCCc1cccc(c1)O 34a_100000747277_100000210614 [0,1,1,0,0,0|0,0,0]=2 4428 B17R1.716 CCCCCCCNCCc1cccc(n1)C 2230a_100011824523_100000210681 [0,1,1,0,0,0|1,0,0]=3 4429 B17R1.716 CCCCCCCNCCc1cccc(n1)C 34a_100011824523_100000210614 [0,1,1,0,0,0|1,0,0]=3 4430 B17R1.716 CCCCCCCOCCc1cccc(c1)Br 34a_100000210272_100011740638 [0,1,1,0,0,0|1,0,0]=3 4431 B17R1.716 CCCCCCCOCCc1cccc(c1)Br 34a_100011217444_100000210614 [0,1,1,0,0,0|1,0,0]=3 4432 B17R1.716 CCCCCCCOCCc1cccc(c1)Br 7a_100000210272_100011740638 [0,1,1,0,0,0|1,0,0]=3 4433 B17R1.716 CCCCCCCOCCc1cccc(c1)Br 7a_100011217444_100000210614 [0,1,1,0,0,0|1,0,0]=3 4434 B17R1.716 CCCCCCCOCCc1cccc(c1)C 34a_100000210272_100011713685 [0,1,1,0,0,0|1,0,0]=3 4435 B17R1.716 CCCCCCCOCCc1cccc(c1)C 34a_100011217157_100000210614 [0,1,1,0,0,0|1,0,0]=3 4436 B17R1.716 CCCCCCCOCCc1cccc(c1)C 7a_100000210272_100011713685 [0,1,1,0,0,0|1,0,0]=3 4437 B17R1.716 CCCCCCCOCCc1cccc(c1)C 7a_100011217157_100000210614 [0,1,1,0,0,0|1,0,0]=3 4438 B17R1.716 CCCCCCCOCCc1cccc(c1)Cl 34a_100000210272_100011713710 [0,1,1,0,0,0|1,0,0]=3 4439 B17R1.716 CCCCCCCOCCc1cccc(c1)Cl 34a_100000754733_100000210614 [0,1,1,0,0,0|1,0,0]=3 4440 B17R1.716 CCCCCCCOCCc1cccc(c1)Cl 7a_100000210272_100011713710 [0,1,1,0,0,0|1,0,0]=3 4441 B17R1.716 CCCCCCCOCCc1cccc(c1)Cl 7a_100000754733_100000210614 [0,1,1,0,0,0|1,0,0]=3 4442 B17R1.716 CCCCCCCOCCc1cccc(c1)F 34a_100000210272_100011217235 [0,1,1,0,0,0|1,0,0]=3 4443 B17R1.716 CCCCCCCOCCc1cccc(c1)F 34a_100000763591_100000210614 [0,1,1,0,0,0|1,0,0]=3 4444 B17R1.716 CCCCCCCOCCc1cccc(c1)F 7a_100000210272_100011217235 [0,1,1,0,0,0|1,0,0]=3 4445 B17R1.716 CCCCCCCOCCc1cccc(c1)F 7a_100000763591_100000210614 [0,1,1,0,0,0|1,0,0]=3 4446 B17R1.716 CCCCCCCOCCc1cccc(c1)N 34a_100011996697_100000210614 [0,1,1,0,0,0|1,0,0]=3 4447 B17R1.716 CCCCCCCOCCc1cccc(n1)Br 34a_100010221043_100000210614 [0,1,1,0,0,0|2,0,0]=4 4448 B17R1.716 CCCCCCCOCCc1cccc(n1)Br 7a_100010221043_100000210614 [0,1,1,0,0,0|2,0,0]=4 4449 B17R1.716 CCCCCCCSCCc1cccc(c1)Br 62a_100000210614_100011740638 [0,1,1,0,0,0|1,0,0]=3 4450 B17R1.716 CCCCCCCSCCc1cccc(c1)Br 62a_100011740638_100000210316 [0,1,1,0,0,0|1,0,0]=3 4451 B17R1.716 CCCCCCCSCCc1cccc(c1)C 62a_100000210614_100011713685 [0,1,1,0,0,0|1,0,0]=3 4452 B17R1.716 CCCCCCCSCCc1cccc(c1)C 62a_100011713685_100000210316 [0,1,1,0,0,0|1,0,0]=3 4453 B17R1.716 CCCCCCCSCCc1cccc(c1)Cl 62a_100000210614_100011713710 [0,1,1,0,0,0|1,0,0]=3 4454 B17R1.716 CCCCCCCSCCc1cccc(c1)Cl 62a_100011713710_100000210316 [0,1,1,0,0,0|1,0,0]=3 4455 B17R1.716 CCCCCCCSCCc1cccc(c1)F 62a_100000210614_100011217235 [0,1,1,0,0,0|1,0,0]=3 4456 B17R1.716 CCCCCCCSCCc1cccc(c1)F 62a_100011217235_100000210316 [0,1,1,0,0,0|1,0,0]=3 4457 B17R1.716 CCCCCCNCCCc1cccc(c1)Br 2230a_100000210581_100011713683 [0,1,1,0,0,0|2,0,0]=4 4458 B17R1.716 CCCCCCNCCCc1cccc(c1)Br 2230a_100000753791_100000210314 [0,1,1,0,0,0|2,0,0]=4 4459 B17R1.716 CCCCCCNCCCc1cccc(c1)Br 34a_100000753791_100000210314 [0,1,1,0,0,0|2,0,0]=4 4460 B17R1.716 CCCCCCNCCCc1cccc(c1)C 2230a_103496528808_100000210314 [0,1,1,0,0,0|2,0,0]=4 4461 B17R1.716 CCCCCCNCCCc1cccc(c1)C 34a_103496528808_100000210314 [0,1,1,0,0,0|2,0,0]=4 4462 B17R1.716 CCCCCCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210314 [0,1,1,0,0,0|2,0,0]=4 4463 B17R1.716 CCCCCCNCCCc1cccc(c1)Cl 34a_100000704586_100000210314 [0,1,1,0,0,0|2,0,0]=4 4464 B17R1.716 CCCCCCNCCCc1cccc(c1)F 2230a_100000210581_200000698031 [0,1,1,0,0,0|2,0,0]=4 4465 B17R1.716 CCCCCCNCCCc1cccc(c1)F 2230a_100000754185_100000210314 [0,1,1,0,0,0|2,0,0]=4 4466 B17R1.716 CCCCCCNCCCc1cccc(c1)F 34a_100000754185_100000210314 [0,1,1,0,0,0|2,0,0]=4 4467 B17R1.716 CCCCCCOCCCc1cccc(c1)Br 34a_100000210259_100011713683 [0,1,1,0,0,0|2,0,0]=4 4468 B17R1.716 CCCCCCOCCCc1cccc(c1)Br 34a_100011709248_100000210314 [0,1,1,0,0,0|2,0,0]=4 4469 B17R1.716 CCCCCCOCCCc1cccc(c1)Br 7a_100000210259_100011713683 [0,1,1,0,0,0|2,0,0]=4 4470 B17R1.716 CCCCCCOCCCc1cccc(c1)Br 7a_100011709248_100000210314 [0,1,1,0,0,0|2,0,0]=4 4471 B17R1.716 CCCCCCOCCCc1cccc(c1)Cl 34a_100011709246_100000210314 [0,1,1,0,0,0|2,0,0]=4 4472 B17R1.716 CCCCCCOCCCc1cccc(c1)Cl 7a_100011709246_100000210314 [0,1,1,0,0,0|2,0,0]=4 4473 B17R1.716 CCCCCCOCCCc1cccc(c1)F 34a_100000210259_200000698031 [0,1,1,0,0,0|2,0,0]=4 4474 B17R1.716 CCCCCCOCCCc1cccc(c1)F 7a_100000210259_200000698031 [0,1,1,0,0,0|2,0,0]=4 4475 B17R1.716 CCCCCCOCCCc1cccc(c1)N 34a_200000698965_100000210314 [0,1,1,0,0,0|2,0,0]=4 4476 B17R1.716 CCCCCCOCCCc1cccc(c1)N 7a_200000698965_100000210314 [0,1,1,0,0,0|2,0,0]=4 4477 B17R1.716 CCCCCCSCCCc1cccc(c1)Br 62a_100000210314_100011713683 [0,1,1,0,0,0|2,0,0]=4 4478 B17R1.716 CCCCCCSCCCc1cccc(c1)Br 62a_100011713683_100000210757 [0,1,1,0,0,0|2,0,0]=4 4479 B17R1.716 CCCCCCSCCCc1cccc(c1)F 62a_100000210314_200000698031 [0,1,1,0,0,0|2,0,0]=4 4480 B17R1.716 CCCCCCSCCCc1cccc(c1)F 62a_200000698031_100000210757 [0,1,1,0,0,0|2,0,0]=4 4481 B17R1.716 CCCCOCCNCCc1cccc(c1)Br 2230a_100011207229_100000743108 [0,1,1,0,0,0|1,0,0]=3 4482 B17R1.716 CCCCOCCNCCc1cccc(c1)Br 34a_100011207229_100000743108 [0,1,1,0,0,0|1,0,0]=3 4483 B17R1.716 CCCCOCCNCCc1cccc(c1)C 2230a_100000749837_100000743108 [0,1,1,0,0,0|1,0,0]=3 4484 B17R1.716 CCCCOCCNCCc1cccc(c1)C 34a_100000749837_100000743108 [0,1,1,0,0,0|1,0,0]=3 4485 B17R1.716 CCCCOCCNCCc1cccc(c1)Cl 2230a_100000185263_100000743108 [0,1,1,0,0,0|1,0,0]=3 4486 B17R1.716 CCCCOCCNCCc1cccc(c1)Cl 34a_100000185263_100000743108 [0,1,1,0,0,0|1,0,0]=3 4487 B17R1.716 CCCCOCCNCCc1cccc(c1)F 2230a_100000205154_100000743108 [0,1,1,0,0,0|1,0,0]=3 4488 B17R1.716 CCCCOCCNCCc1cccc(c1)F 34a_100000205154_100000743108 [0,1,1,0,0,0|1,0,0]=3 4489 B17R1.716 CCCCOCCNCCc1cccc(c1)O 2230a_100000747277_100000743108 [0,1,1,0,0,0|1,0,0]=3 4490 B17R1.716 CCCCOCCNCCc1cccc(c1)O 34a_100000747277_100000743108 [0,1,1,0,0,0|1,0,0]=3 4491 B17R1.716 CCCCOCCNCCc1cccc(n1)C 2230a_100011824523_100000743108 [0,1,1,0,0,0|2,0,0]=4 4492 B17R1.716 CCCCOCCNCCc1cccc(n1)C 34a_100011824523_100000743108 [0,1,1,0,0,0|2,0,0]=4 4493 B17R1.716 CCCCOCCOCCc1cccc(c1)Br 34a_100000210238_100011740638 [0,1,1,0,0,0|2,0,0]=4 4494 B17R1.716 CCCCOCCOCCc1cccc(c1)Br 34a_100011217444_100000743108 [0,1,1,0,0,0|2,0,0]=4 4495 B17R1.716 CCCCOCCOCCc1cccc(c1)Br 7a_100000210238_100011740638 [0,1,1,0,0,0|2,0,0]=4 4496 B17R1.716 CCCCOCCOCCc1cccc(c1)Br 7a_100011217444_100000743108 [0,1,1,0,0,0|2,0,0]=4 4497 B17R1.716 CCCCOCCOCCc1cccc(c1)C 34a_100000210238_100011713685 [0,1,1,0,0,0|2,0,0]=4 4498 B17R1.716 CCCCOCCOCCc1cccc(c1)C 34a_100011217157_100000743108 [0,1,1,0,0,0|2,0,0]=4 4499 B17R1.716 CCCCOCCOCCc1cccc(c1)C 7a_100000210238_100011713685 [0,1,1,0,0,0|2,0,0]=4 4500 B17R1.716 CCCCOCCOCCc1cccc(c1)C 7a_100011217157_100000743108 [0,1,1,0,0,0|2,0,0]=4 4501 B17R1.716 CCCCOCCOCCc1cccc(c1)Cl 34a_100000210238_100011713710 [0,1,1,0,0,0|2,0,0]=4 4502 B17R1.716 CCCCOCCOCCc1cccc(c1)Cl 34a_100000754733_100000743108 [0,1,1,0,0,0|2,0,0]=4 4503 B17R1.716 CCCCOCCOCCc1cccc(c1)Cl 7a_100000210238_100011713710 [0,1,1,0,0,0|2,0,0]=4 4504 B17R1.716 CCCCOCCOCCc1cccc(c1)Cl 7a_100000754733_100000743108 [0,1,1,0,0,0|2,0,0]=4 4505 B17R1.716 CCCCOCCOCCc1cccc(c1)F 34a_100000210238_100011217235 [0,1,1,0,0,0|2,0,0]=4 4506 B17R1.716 CCCCOCCOCCc1cccc(c1)F 34a_100000763591_100000743108 [0,1,1,0,0,0|2,0,0]=4 4507 B17R1.716 CCCCOCCOCCc1cccc(c1)F 7a_100000210238_100011217235 [0,1,1,0,0,0|2,0,0]=4 4508 B17R1.716 CCCCOCCOCCc1cccc(c1)F 7a_100000763591_100000743108 [0,1,1,0,0,0|2,0,0]=4 4509 B17R1.716 CCCCOCCOCCc1cccc(c1)N 34a_100011996697_100000743108 [0,1,1,0,0,0|2,0,0]=4 4510 B17R1.716 CCCCOCCSCCc1cccc(c1)Br 62a_100000743108_100011740638 [0,1,1,0,0,0|2,0,0]=4 4511 B17R1.716 CCCCOCCSCCc1cccc(c1)Br 62a_100011740638_100000743108 [0,1,1,0,0,0|2,0,0]=4 4512 B17R1.716 CCCCOCCSCCc1cccc(c1)C 62a_100000743108_100011713685 [0,1,1,0,0,0|2,0,0]=4 4513 B17R1.716 CCCCOCCSCCc1cccc(c1)C 62a_100011713685_100000743108 [0,1,1,0,0,0|2,0,0]=4 4514 B17R1.716 CCCCOCCSCCc1cccc(c1)Cl 62a_100000743108_100011713710 [0,1,1,0,0,0|2,0,0]=4 4515 B17R1.716 CCCCOCCSCCc1cccc(c1)Cl 62a_100011713710_100000743108 [0,1,1,0,0,0|2,0,0]=4 4516 B17R1.716 CCCCOCCSCCc1cccc(c1)F 62a_100000743108_100011217235 [0,1,1,0,0,0|2,0,0]=4 4517 B17R1.716 CCCCOCCSCCc1cccc(c1)F 62a_100011217235_100000743108 [0,1,1,0,0,0|2,0,0]=4 4518 B17R1.716 CCCCSCCNCCc1cccc(c1)Br 2230a_100025743550_100011740638 [0,1,1,0,0,0|1,0,0]=3 4519 B17R1.716 CCCCSCCNCCc1cccc(c1)C 2230a_100025743550_100011713685 [0,1,1,0,0,0|1,0,0]=3 4520 B17R1.716 CCCCSCCNCCc1cccc(c1)Cl 2230a_100025743550_100011713710 [0,1,1,0,0,0|1,0,0]=3 4521 B17R1.716 CCCCSCCNCCc1cccc(c1)F 2230a_100025743550_100011217235 [0,1,1,0,0,0|1,0,0]=3 4522 B17R1.716 CCCCSCCOCCc1cccc(c1)Br 34a_200000230436_100011740638 [0,1,1,0,0,0|2,0,0]=4 4523 B17R1.716 CCCCSCCOCCc1cccc(c1)Br 7a_200000230436_100011740638 [0,1,1,0,0,0|2,0,0]=4 4524 B17R1.716 CCCCSCCOCCc1cccc(c1)C 34a_200000230436_100011713685 [0,1,1,0,0,0|2,0,0]=4 4525 B17R1.716 CCCCSCCOCCc1cccc(c1)C 7a_200000230436_100011713685 [0,1,1,0,0,0|2,0,0]=4 4526 B17R1.716 CCCCSCCOCCc1cccc(c1)Cl 34a_200000230436_100011713710 [0,1,1,0,0,0|2,0,0]=4 4527 B17R1.716 CCCCSCCOCCc1cccc(c1)Cl 7a_200000230436_100011713710 [0,1,1,0,0,0|2,0,0]=4 4528 B17R1.716 CCCCSCCOCCc1cccc(c1)F 34a_200000230436_100011217235 [0,1,1,0,0,0|2,0,0]=4 4529 B17R1.716 CCCCSCCOCCc1cccc(c1)F 7a_200000230436_100011217235 [0,1,1,0,0,0|2,0,0]=4 4530 B17R1.716 CCCOCCCNCCc1cccc(c1)Br 2230a_100011217757_100011740638 [0,1,1,0,0,0|1,0,0]=3 4531 B17R1.716 CCCOCCCNCCc1cccc(c1)Br 34a_100011217757_100011740638 [0,1,1,0,0,0|1,0,0]=3 4532 B17R1.716 CCCOCCCNCCc1cccc(c1)C 2230a_100011217757_100011713685 [0,1,1,0,0,0|1,0,0]=3 4533 B17R1.716 CCCOCCCNCCc1cccc(c1)C 34a_100011217757_100011713685 [0,1,1,0,0,0|1,0,0]=3 4534 B17R1.716 CCCOCCCNCCc1cccc(c1)Cl 2230a_100011217757_100011713710 [0,1,1,0,0,0|1,0,0]=3 4535 B17R1.716 CCCOCCCNCCc1cccc(c1)Cl 34a_100011217757_100011713710 [0,1,1,0,0,0|1,0,0]=3 4536 B17R1.716 CCCOCCCNCCc1cccc(c1)F 2230a_100011217757_100011217235 [0,1,1,0,0,0|1,0,0]=3 4537 B17R1.716 CCCOCCCNCCc1cccc(c1)F 34a_100011217757_100011217235 [0,1,1,0,0,0|1,0,0]=3 4538 B17R1.716 CNCCCCCOCCc1cccc(c1)Br 34a_100000722520_100011740638 [0,1,1,0,0,0|2,0,0]=4 4539 B17R1.716 CNCCCCCOCCc1cccc(c1)C 34a_100000722520_100011713685 [0,1,1,0,0,0|2,0,0]=4 4540 B17R1.716 CNCCCCCOCCc1cccc(c1)Cl 34a_100000722520_100011713710 [0,1,1,0,0,0|2,0,0]=4 4541 B17R1.716 CNCCCCCOCCc1cccc(c1)F 34a_100000722520_100011217235 [0,1,1,0,0,0|2,0,0]=4 4542 B17R1.716 COCCCCCNCCc1cccc(c1)Br 2230a_100000747528_100011740638 [0,1,1,0,0,0|1,0,0]=3 4543 B17R1.716 COCCCCCNCCc1cccc(c1)Br 34a_100000747528_100011740638 [0,1,1,0,0,0|1,0,0]=3 4544 B17R1.716 COCCCCCNCCc1cccc(c1)C 2230a_100000747528_100011713685 [0,1,1,0,0,0|1,0,0]=3 4545 B17R1.716 COCCCCCNCCc1cccc(c1)C 34a_100000747528_100011713685 [0,1,1,0,0,0|1,0,0]=3 4546 B17R1.716 COCCCCCNCCc1cccc(c1)Cl 2230a_100000747528_100011713710 [0,1,1,0,0,0|1,0,0]=3 4547 B17R1.716 COCCCCCNCCc1cccc(c1)Cl 34a_100000747528_100011713710 [0,1,1,0,0,0|1,0,0]=3 4548 B17R1.716 COCCCCCNCCc1cccc(c1)F 2230a_100000747528_100011217235 [0,1,1,0,0,0|1,0,0]=3 4549 B17R1.716 COCCCCCNCCc1cccc(c1)F 34a_100000747528_100011217235 [0,1,1,0,0,0|1,0,0]=3 4550 B17R1.716 COCCOCCNCCc1cccc(c1)Br 2230a_100000745349_100011740638 [0,1,1,0,0,0|2,0,0]=4 4551 B17R1.716 COCCOCCNCCc1cccc(c1)Br 2230a_100011207229_100000695917 [0,1,1,0,0,0|2,0,0]=4 4552 B17R1.716 COCCOCCNCCc1cccc(c1)Br 34a_100000745349_100011740638 [0,1,1,0,0,0|2,0,0]=4 4553 B17R1.716 COCCOCCNCCc1cccc(c1)Br 34a_100011207229_100000695917 [0,1,1,0,0,0|2,0,0]=4 4554 B17R1.716 COCCOCCNCCc1cccc(c1)C 2230a_100000745349_100011713685 [0,1,1,0,0,0|2,0,0]=4 4555 B17R1.716 COCCOCCNCCc1cccc(c1)C 2230a_100000749837_100000695917 [0,1,1,0,0,0|2,0,0]=4 4556 B17R1.716 COCCOCCNCCc1cccc(c1)C 34a_100000745349_100011713685 [0,1,1,0,0,0|2,0,0]=4 4557 B17R1.716 COCCOCCNCCc1cccc(c1)C 34a_100000749837_100000695917 [0,1,1,0,0,0|2,0,0]=4 4558 B17R1.716 COCCOCCNCCc1cccc(c1)Cl 2230a_100000185263_100000695917 [0,1,1,0,0,0|2,0,0]=4 4559 B17R1.716 COCCOCCNCCc1cccc(c1)Cl 2230a_100000745349_100011713710 [0,1,1,0,0,0|2,0,0]=4 4560 B17R1.716 COCCOCCNCCc1cccc(c1)Cl 34a_100000185263_100000695917 [0,1,1,0,0,0|2,0,0]=4 4561 B17R1.716 COCCOCCNCCc1cccc(c1)Cl 34a_100000745349_100011713710 [0,1,1,0,0,0|2,0,0]=4 4562 B17R1.716 COCCOCCNCCc1cccc(c1)F 2230a_100000205154_100000695917 [0,1,1,0,0,0|2,0,0]=4 4563 B17R1.716 COCCOCCNCCc1cccc(c1)F 2230a_100000745349_100011217235 [0,1,1,0,0,0|2,0,0]=4 4564 B17R1.716 COCCOCCNCCc1cccc(c1)F 34a_100000205154_100000695917 [0,1,1,0,0,0|2,0,0]=4 4565 B17R1.716 COCCOCCNCCc1cccc(c1)F 34a_100000745349_100011217235 [0,1,1,0,0,0|2,0,0]=4 4566 B17R1.716 COCCOCCNCCc1cccc(c1)O 2230a_100000747277_100000695917 [0,1,1,0,0,0|2,0,0]=4 4567 B17R1.716 COCCOCCNCCc1cccc(c1)O 34a_100000747277_100000695917 [0,1,1,0,0,0|2,0,0]=4 4568 B17R1.716 Cc1cccc(c1)CCNCCCCCC#N 2230a_100000749837_100009813376 [0,1,1,0,0,0|1,0,1]=4 4569 B17R1.716 Cc1cccc(c1)CCNCCCCCC=O 2230a_100000749837_100000139337 [0,1,1,0,0,0|1,0,1]=4 4570 B17R1.716 Cc1cccc(c1)CCNCCCCCCF 2230a_100000749837_100015922095 [0,1,1,0,0,0|1,0,0]=3 4571 B17R1.716 Cc1cccc(c1)CCNCCCCCCF 34a_100000749837_100015922095 [0,1,1,0,0,0|1,0,0]=3 4572 B17R1.716 Cc1cccc(c1)CCNCCCCCCO 2230a_100000686447_100011713685 [0,1,1,0,0,0|1,0,0]=3 4573 B17R1.716 Cc1cccc(c1)CCNCCCCCCO 2230a_100000749837_100000766143 [0,1,1,0,0,0|1,0,0]=3 4574 B17R1.716 Cc1cccc(c1)CCNCCCCCCO 34a_100000686447_100011713685 [0,1,1,0,0,0|1,0,0]=3 4575 B17R1.716 Cc1cccc(c1)CCNCCCCCCO 34a_100000749837_100000766143 [0,1,1,0,0,0|1,0,0]=3 4576 B17R1.716 Cc1cccc(c1)CCOCCCCCCBr 34a_100011215345_100011713685 [0,1,1,0,0,0|2,0,0]=4 4577 B17R1.716 Cc1cccc(c1)CCOCCCCCCBr 7a_100011215345_100011713685 [0,1,1,0,0,0|2,0,0]=4 4578 B17R1.716 Cc1cccc(c1)CCOCCCCCCCl 34a_100000766143_100011713685 [0,1,1,0,0,0|2,0,0]=4 4579 B17R1.716 Cc1cccc(c1)CCOCCCCCCCl 7a_100000766143_100011713685 [0,1,1,0,0,0|2,0,0]=4 4580 B17R1.716 Cc1cccc(c1)CCOCCCCCCF 34a_100000732779_100011713685 [0,1,1,0,0,0|2,0,0]=4 4581 B17R1.716 Cc1cccc(c1)CCOCCCCCCF 34a_100011217157_100015922095 [0,1,1,0,0,0|2,0,0]=4 4582 B17R1.716 Cc1cccc(c1)CCOCCCCCCF 7a_100000732779_100011713685 [0,1,1,0,0,0|2,0,0]=4 4583 B17R1.716 Cc1cccc(c1)CCOCCCCCCF 7a_100011217157_100015922095 [0,1,1,0,0,0|2,0,0]=4 4584 B17R1.716 Cc1cccc(c1)CCOCCCCCCN 34a_100000686447_100011713685 [0,1,1,0,0,0|2,0,0]=4 4585 B17R1.716 Cc1cccc(c1)CCOCCCCCCO 34a_100011217157_100000766143 [0,1,1,0,0,0|2,0,0]=4 4586 B17R1.716 Cc1cccc(c1)CCOCCCCCCO 7a_100011217157_100000766143 [0,1,1,0,0,0|2,0,0]=4 4587 B17R1.716 Cc1cccc(c1)CCSCCCCCCF 62a_100011713685_100015922095 [0,1,1,0,0,0|2,0,0]=4 4588 B17R1.716 Cc1cccc(c1)CCSCCCCCCF 62a_100015922095_100011713685 [0,1,1,0,0,0|2,0,0]=4 4589 B17R1.716 Cc1cccc(c1)CCSCCCCCCO 62a_100000766143_100011713685 [0,1,1,0,0,0|2,0,0]=4 4590 B17R1.716 Cc1cccc(c1)CCSCCCCCCO 62a_100011713685_100000766143 [0,1,1,0,0,0|2,0,0]=4 4591 B17R1.716 Cc1cccc(n1)CCNCCCCCCF 2230a_100011824523_100015922095 [0,1,1,0,0,0|2,0,0]=4 4592 B17R1.716 Cc1cccc(n1)CCNCCCCCCF 34a_100011824523_100015922095 [0,1,1,0,0,0|2,0,0]=4 4593 B17R1.716 Cc1cccc(n1)CCNCCCCCCO 2230a_100011824523_100000766143 [0,1,1,0,0,0|2,0,0]=4 4594 B17R1.716 Cc1cccc(n1)CCNCCCCCCO 34a_100011824523_100000766143 [0,1,1,0,0,0|2,0,0]=4 4595 B17R1.716 ClCCCCCCOCCc1cccc(c1)Br 34a_100000766143_100011740638 [0,1,1,0,0,0|2,0,0]=4 4596 B17R1.716 ClCCCCCCOCCc1cccc(c1)Br 7a_100000766143_100011740638 [0,1,1,0,0,0|2,0,0]=4 4597 B17R1.716 ClCCCCCCOCCc1cccc(c1)Cl 34a_100000766143_100011713710 [0,1,1,0,0,0|2,0,0]=4 4598 B17R1.716 ClCCCCCCOCCc1cccc(c1)Cl 7a_100000766143_100011713710 [0,1,1,0,0,0|2,0,0]=4 4599 B17R1.716 Clc1cccc(c1)CCOCCCCCCBr 34a_100011215345_100011713710 [0,1,1,0,0,0|2,0,0]=4 4600 B17R1.716 Clc1cccc(c1)CCOCCCCCCBr 7a_100011215345_100011713710 [0,1,1,0,0,0|2,0,0]=4 4601 B17R1.716 FCCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100015922095 [0,1,1,0,0,0|1,0,0]=3 4602 B17R1.716 FCCCCCCNCCc1cccc(c1)Br 34a_100011207229_100015922095 [0,1,1,0,0,0|1,0,0]=3 4603 B17R1.716 FCCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100015922095 [0,1,1,0,0,0|1,0,0]=3 4604 B17R1.716 FCCCCCCNCCc1cccc(c1)Cl 34a_100000185263_100015922095 [0,1,1,0,0,0|1,0,0]=3 4605 B17R1.716 FCCCCCCNCCc1cccc(c1)F 2230a_100000205154_100015922095 [0,1,1,0,0,0|1,0,0]=3 4606 B17R1.716 FCCCCCCNCCc1cccc(c1)F 34a_100000205154_100015922095 [0,1,1,0,0,0|1,0,0]=3 4607 B17R1.716 FCCCCCCOCCc1cccc(c1)Br 34a_100000732779_100011740638 [0,1,1,0,0,0|2,0,0]=4 4608 B17R1.716 FCCCCCCOCCc1cccc(c1)Br 34a_100011217444_100015922095 [0,1,1,0,0,0|2,0,0]=4 4609 B17R1.716 FCCCCCCOCCc1cccc(c1)Br 7a_100000732779_100011740638 [0,1,1,0,0,0|2,0,0]=4 4610 B17R1.716 FCCCCCCOCCc1cccc(c1)Br 7a_100011217444_100015922095 [0,1,1,0,0,0|2,0,0]=4 4611 B17R1.716 FCCCCCCOCCc1cccc(c1)Cl 34a_100000732779_100011713710 [0,1,1,0,0,0|2,0,0]=4 4612 B17R1.716 FCCCCCCOCCc1cccc(c1)Cl 34a_100000754733_100015922095 [0,1,1,0,0,0|2,0,0]=4 4613 B17R1.716 FCCCCCCOCCc1cccc(c1)Cl 7a_100000732779_100011713710 [0,1,1,0,0,0|2,0,0]=4 4614 B17R1.716 FCCCCCCOCCc1cccc(c1)Cl 7a_100000754733_100015922095 [0,1,1,0,0,0|2,0,0]=4 4615 B17R1.716 FCCCCCCOCCc1cccc(c1)F 34a_100000732779_100011217235 [0,1,1,0,0,0|2,0,0]=4 4616 B17R1.716 FCCCCCCOCCc1cccc(c1)F 34a_100000763591_100015922095 [0,1,1,0,0,0|2,0,0]=4 4617 B17R1.716 FCCCCCCOCCc1cccc(c1)F 7a_100000732779_100011217235 [0,1,1,0,0,0|2,0,0]=4 4618 B17R1.716 FCCCCCCOCCc1cccc(c1)F 7a_100000763591_100015922095 [0,1,1,0,0,0|2,0,0]=4 4619 B17R1.716 FCCCCCCSCCc1cccc(c1)Br 62a_100011740638_100015922095 [0,1,1,0,0,0|2,0,0]=4 4620 B17R1.716 FCCCCCCSCCc1cccc(c1)Br 62a_100015922095_100011740638 [0,1,1,0,0,0|2,0,0]=4 4621 B17R1.716 FCCCCCCSCCc1cccc(c1)Cl 62a_100011713710_100015922095 [0,1,1,0,0,0|2,0,0]=4 4622 B17R1.716 FCCCCCCSCCc1cccc(c1)Cl 62a_100015922095_100011713710 [0,1,1,0,0,0|2,0,0]=4 4623 B17R1.716 FCCCCCCSCCc1cccc(c1)F 62a_100011217235_100015922095 [0,1,1,0,0,0|2,0,0]=4 4624 B17R1.716 FCCCCCCSCCc1cccc(c1)F 62a_100015922095_100011217235 [0,1,1,0,0,0|2,0,0]=4 4625 B17R1.716 Fc1cccc(c1)CCOCCCCCCBr 34a_100011215345_100011217235 [0,1,1,0,0,0|2,0,0]=4 4626 B17R1.716 Fc1cccc(c1)CCOCCCCCCBr 7a_100011215345_100011217235 [0,1,1,0,0,0|2,0,0]=4 4627 B17R1.716 Fc1cccc(c1)CCOCCCCCCCl 34a_100000766143_100011217235 [0,1,1,0,0,0|2,0,0]=4 4628 B17R1.716 Fc1cccc(c1)CCOCCCCCCCl 7a_100000766143_100011217235 [0,1,1,0,0,0|2,0,0]=4 4629 B17R1.716 N#CCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100009813376 [0,1,1,0,0,0|1,0,1]=4 4630 B17R1.716 N#CCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100009813376 [0,1,1,0,0,0|1,0,1]=4 4631 B17R1.716 N#CCCCCCNCCc1cccc(c1)F 2230a_100000205154_100009813376 [0,1,1,0,0,0|1,0,1]=4 4632 B17R1.716 N#CCCCCCNCCc1cccc(c1)O 2230a_100000747277_100009813376 [0,1,1,0,0,0|1,0,1]=4 4633 B17R1.716 NCCCCCCOCCc1cccc(c1)Br 34a_100000686447_100011740638 [0,1,1,0,0,0|2,0,0]=4 4634 B17R1.716 NCCCCCCOCCc1cccc(c1)Cl 34a_100000686447_100011713710 [0,1,1,0,0,0|2,0,0]=4 4635 B17R1.716 NCCCCCCOCCc1cccc(c1)F 34a_100000686447_100011217235 [0,1,1,0,0,0|2,0,0]=4 4636 B17R1.716 Nc1cccc(c1)CCOCCCCCCF 34a_100011996697_100015922095 [0,1,1,0,0,0|2,0,0]=4 4637 B17R1.716 Nc1cccc(c1)CCOCCCCCCO 34a_100011996697_100000766143 [0,1,1,0,0,0|2,0,0]=4 4638 B17R1.716 O=CCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100000139337 [0,1,1,0,0,0|1,0,1]=4 4639 B17R1.716 O=CCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000139337 [0,1,1,0,0,0|1,0,1]=4 4640 B17R1.716 O=CCCCCCNCCc1cccc(c1)F 2230a_100000205154_100000139337 [0,1,1,0,0,0|1,0,1]=4 4641 B17R1.716 O=CCCCCCNCCc1cccc(c1)O 2230a_100000747277_100000139337 [0,1,1,0,0,0|1,0,1]=4 4642 B17R1.716 OCCCCCCNCCc1cccc(c1)Br 2230a_100000686447_100011740638 [0,1,1,0,0,0|1,0,0]=3 4643 B17R1.716 OCCCCCCNCCc1cccc(c1)Br 2230a_100011207229_100000766143 [0,1,1,0,0,0|1,0,0]=3 4644 B17R1.716 OCCCCCCNCCc1cccc(c1)Br 34a_100000686447_100011740638 [0,1,1,0,0,0|1,0,0]=3 4645 B17R1.716 OCCCCCCNCCc1cccc(c1)Br 34a_100011207229_100000766143 [0,1,1,0,0,0|1,0,0]=3 4646 B17R1.716 OCCCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000766143 [0,1,1,0,0,0|1,0,0]=3 4647 B17R1.716 OCCCCCCNCCc1cccc(c1)Cl 2230a_100000686447_100011713710 [0,1,1,0,0,0|1,0,0]=3 4648 B17R1.716 OCCCCCCNCCc1cccc(c1)Cl 34a_100000185263_100000766143 [0,1,1,0,0,0|1,0,0]=3 4649 B17R1.716 OCCCCCCNCCc1cccc(c1)Cl 34a_100000686447_100011713710 [0,1,1,0,0,0|1,0,0]=3 4650 B17R1.716 OCCCCCCNCCc1cccc(c1)F 2230a_100000205154_100000766143 [0,1,1,0,0,0|1,0,0]=3 4651 B17R1.716 OCCCCCCNCCc1cccc(c1)F 2230a_100000686447_100011217235 [0,1,1,0,0,0|1,0,0]=3 4652 B17R1.716 OCCCCCCNCCc1cccc(c1)F 34a_100000205154_100000766143 [0,1,1,0,0,0|1,0,0]=3 4653 B17R1.716 OCCCCCCNCCc1cccc(c1)F 34a_100000686447_100011217235 [0,1,1,0,0,0|1,0,0]=3 4654 B17R1.716 OCCCCCCNCCc1cccc(c1)O 2230a_100000747277_100000766143 [0,1,1,0,0,0|1,0,0]=3 4655 B17R1.716 OCCCCCCNCCc1cccc(c1)O 34a_100000747277_100000766143 [0,1,1,0,0,0|1,0,0]=3 4656 B17R1.716 OCCCCCCOCCc1cccc(c1)Br 34a_100011217444_100000766143 [0,1,1,0,0,0|2,0,0]=4 4657 B17R1.716 OCCCCCCOCCc1cccc(c1)Br 7a_100011217444_100000766143 [0,1,1,0,0,0|2,0,0]=4 4658 B17R1.716 OCCCCCCOCCc1cccc(c1)Cl 34a_100000754733_100000766143 [0,1,1,0,0,0|2,0,0]=4 4659 B17R1.716 OCCCCCCOCCc1cccc(c1)Cl 7a_100000754733_100000766143 [0,1,1,0,0,0|2,0,0]=4 4660 B17R1.716 OCCCCCCOCCc1cccc(c1)F 34a_100000763591_100000766143 [0,1,1,0,0,0|2,0,0]=4 4661 B17R1.716 OCCCCCCOCCc1cccc(c1)F 7a_100000763591_100000766143 [0,1,1,0,0,0|2,0,0]=4 4662 B17R1.716 OCCCCCCSCCc1cccc(c1)Br 62a_100000766143_100011740638 [0,1,1,0,0,0|2,0,0]=4 4663 B17R1.716 OCCCCCCSCCc1cccc(c1)Br 62a_100011740638_100000766143 [0,1,1,0,0,0|2,0,0]=4 4664 B17R1.716 OCCCCCCSCCc1cccc(c1)Cl 62a_100000766143_100011713710 [0,1,1,0,0,0|2,0,0]=4 4665 B17R1.716 OCCCCCCSCCc1cccc(c1)Cl 62a_100011713710_100000766143 [0,1,1,0,0,0|2,0,0]=4 4666 B17R1.716 OCCCCCCSCCc1cccc(c1)F 62a_100000766143_100011217235 [0,1,1,0,0,0|2,0,0]=4 4667 B17R1.716 OCCCCCCSCCc1cccc(c1)F 62a_100011217235_100000766143 [0,1,1,0,0,0|2,0,0]=4 4668 B17R1.716 Oc1cccc(c1)CCNCCCCCCF 2230a_100000747277_100015922095 [0,1,1,0,0,0|1,0,0]=3 4669 B17R1.716 Oc1cccc(c1)CCNCCCCCCF 34a_100000747277_100015922095 [0,1,1,0,0,0|1,0,0]=3 4670 B17R1.754 C#CCCCCCNCC(C)c1ccccc1 2230a_100000701038_100012094781 [0,1,1,0,0,0|0,0,2]=4 4671 B17R1.754 C#CCCCCCNCC(C)c1ccccc1 34a_100000701038_100012094781 [0,1,1,0,0,0|0,0,2]=4 4672 B17R1.754 C#CCCCCCNCC(O)c1ccccc1 2230a_100000210709_100012094781 [0,1,1,0,0,0|0,0,2]=4 4673 B17R1.754 C=CCCCCCNCC(C)c1ccccc1 2230a_100000701038_100000700193 [0,1,1,0,0,0|0,0,2]=4 4674 B17R1.754 C=CCCCCCNCC(C)c1ccccc1 34a_100000701038_100000700193 [0,1,1,0,0,0|0,0,2]=4 4675 B17R1.754 C=CCCCCCNCC(O)c1ccccc1 2230a_100000210709_100000700193 [0,1,1,0,0,0|0,0,2]=4 4676 B17R1.754 CC(CNCCCCCC#N)c1ccccc1 2230a_100000701038_100009813376 [0,1,1,0,0,0|1,0,1]=4 4677 B17R1.754 CC(CNCCCCCC#N)c1ccccc1 270004a_100000061152_100000212034 [0,1,1,0,0,0|1,0,1]=4 4678 B17R1.754 CC(CNCCCCCC=O)c1ccccc1 2230a_100000701038_100000139337 [0,1,1,0,0,0|1,0,1]=4 4679 B17R1.754 CC(CNCCCCCCF)c1ccccc1 2230a_100000701038_100015922095 [0,1,1,0,0,0|1,0,0]=3 4680 B17R1.754 CC(CNCCCCCCF)c1ccccc1 34a_100000701038_100015922095 [0,1,1,0,0,0|1,0,0]=3 4681 B17R1.754 CC(CNCCCCCCO)c1ccccc1 2230a_100000686447_100000756946 [0,1,1,0,0,0|1,0,0]=3 4682 B17R1.754 CC(CNCCCCCCO)c1ccccc1 2230a_100000701038_100000766143 [0,1,1,0,0,0|1,0,0]=3 4683 B17R1.754 CC(CNCCCCCCO)c1ccccc1 270004a_100000686447_100000212034 [0,1,1,0,0,0|1,0,0]=3 4684 B17R1.754 CC(CNCCCCCCO)c1ccccc1 34a_100000686447_100000756946 [0,1,1,0,0,0|1,0,0]=3 4685 B17R1.754 CC(CNCCCCCCO)c1ccccc1 34a_100000701038_100000766143 [0,1,1,0,0,0|1,0,0]=3 4686 B17R1.754 CC(COCCCCCCBr)c1ccccc1 34a_100011215345_100000756946 [0,1,1,0,0,0|2,0,0]=4 4687 B17R1.754 CC(COCCCCCCBr)c1ccccc1 7a_100011215345_100000756946 [0,1,1,0,0,0|2,0,0]=4 4688 B17R1.754 CC(COCCCCCCCl)c1ccccc1 34a_100000766143_100000756946 [0,1,1,0,0,0|2,0,0]=4 4689 B17R1.754 CC(COCCCCCCCl)c1ccccc1 7a_100000766143_100000756946 [0,1,1,0,0,0|2,0,0]=4 4690 B17R1.754 CC(COCCCCCCF)c1ccccc1 34a_100000732779_100000756946 [0,1,1,0,0,0|2,0,0]=4 4691 B17R1.754 CC(COCCCCCCF)c1ccccc1 34a_100011215166_100015922095 [0,1,1,0,0,0|2,0,0]=4 4692 B17R1.754 CC(COCCCCCCF)c1ccccc1 7a_100000732779_100000756946 [0,1,1,0,0,0|2,0,0]=4 4693 B17R1.754 CC(COCCCCCCF)c1ccccc1 7a_100011215166_100015922095 [0,1,1,0,0,0|2,0,0]=4 4694 B17R1.754 CC(COCCCCCCN)c1ccccc1 34a_100000686447_100000756946 [0,1,1,0,0,0|2,0,0]=4 4695 B17R1.754 CC(COCCCCCCO)c1ccccc1 34a_100011215166_100000766143 [0,1,1,0,0,0|2,0,0]=4 4696 B17R1.754 CC(COCCCCCCO)c1ccccc1 7a_100011215166_100000766143 [0,1,1,0,0,0|2,0,0]=4 4697 B17R1.754 CC(CSCCCCCCF)c1ccccc1 62a_100000756946_100015922095 [0,1,1,0,0,0|2,0,0]=4 4698 B17R1.754 CC(CSCCCCCCF)c1ccccc1 62a_100015922095_100000756946 [0,1,1,0,0,0|2,0,0]=4 4699 B17R1.754 CC(CSCCCCCCO)c1ccccc1 62a_100000756946_100000766143 [0,1,1,0,0,0|2,0,0]=4 4700 B17R1.754 CC(CSCCCCCCO)c1ccccc1 62a_100000766143_100000756946 [0,1,1,0,0,0|2,0,0]=4 4701 B17R1.754 CCCCCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210670 [0,1,1,0,0,0|1,0,1]=4 4702 B17R1.754 CCCCCCCCCN(C)c1ccccc1 2230a_100000210012_100011214924 [0,1,1,0,0,0|2,0,0]=4 4703 B17R1.754 CCCCCCCCCN(C)c1ccccc1 269982a_100000210012_100000210670 [0,1,1,0,0,0|2,0,0]=4 4704 B17R1.754 CCCCCCCCCN(C)c1ccccc1 34a_100000210012_100011214924 [0,1,1,0,0,0|2,0,0]=4 4705 B17R1.754 CCCCCCCCNC(C)c1ccccc1 2230a_100000229939_100000230085 [0,1,1,0,0,0|2,0,0]=4 4706 B17R1.754 CCCCCCCCNC(C)c1ccccc1 269862a_100000229939_100000185851 [0,1,1,0,0,0|2,0,0]=4 4707 B17R1.754 CCCCCCCCNC(C)c1ccccc1 34a_100000229939_100000211855 [0,1,1,0,0,0|2,0,0]=4 4708 B17R1.754 CCCCCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210759 [0,1,1,0,0,0|2,0,0]=4 4709 B17R1.754 CCCCCCCCOC(C)c1ccccc1 34a_100000210232_100000211855 [0,1,1,0,0,0|2,0,0]=4 4710 B17R1.754 CCCCCCCCOC(C)c1ccccc1 7a_100000210232_100000230085 [0,1,1,0,0,0|2,0,0]=4 4711 B17R1.754 CCCCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210759 [0,1,1,0,0,0|2,0,0]=4 4712 B17R1.754 CCCCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210759 [0,1,1,0,0,0|2,0,0]=4 4713 B17R1.754 CCCCCCCCSC(C)c1ccccc1 62a_100000210759_100000230085 [0,1,1,0,0,0|2,0,0]=4 4714 B17R1.754 CCCCCCCCSC(C)c1ccccc1 62a_100000230085_100000210317 [0,1,1,0,0,0|2,0,0]=4 4715 B17R1.754 CCCCCCCNCC(C)c1ccccc1 2230a_100000229938_100000756946 [0,1,1,0,0,0|0,0,0]=2 4716 B17R1.754 CCCCCCCNCC(C)c1ccccc1 2230a_100000701038_100000210681 [0,1,1,0,0,0|0,0,0]=2 4717 B17R1.754 CCCCCCCNCC(C)c1ccccc1 270004a_100000229938_100000212034 [0,1,1,0,0,0|0,0,0]=2 4718 B17R1.754 CCCCCCCNCC(C)c1ccccc1 34a_100000701038_100000210614 [0,1,1,0,0,0|0,0,0]=2 4719 B17R1.754 CCCCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210681 [0,1,1,0,0,0|0,0,0]=2 4720 B17R1.754 CCCCCCCNCC(O)c1ccccc1 2230a_100000229938_100000185958 [0,1,1,0,0,0|0,0,0]=2 4721 B17R1.754 CCCCCCCNCC(O)c1ccccn1 2230a_100000691469_100000210681 [0,1,1,0,0,0|1,0,0]=3 4722 B17R1.754 CCCCCCCNCC(O)c1cccnc1 2230a_100020605170_100000210681 [0,1,1,0,0,0|1,0,0]=3 4723 B17R1.754 CCCCCCCNC[C@@H](O)c1ccccc1 2230a_100000229938_100011933945 [0,1,1,0,0,0|0,0,0]=2 4724 B17R1.754 CCCCCCCOCC(=O)c1ccccc1 7a_100000210272_100000211460 [0,1,1,0,0,0|1,0,1]=4 4725 B17R1.754 CCCCCCCOCC(C)c1ccccc1 34a_100000210272_100000756946 [0,1,1,0,0,0|1,0,0]=3 4726 B17R1.754 CCCCCCCOCC(C)c1ccccc1 34a_100011215166_100000210614 [0,1,1,0,0,0|1,0,0]=3 4727 B17R1.754 CCCCCCCOCC(C)c1ccccc1 7a_100000210272_100000756946 [0,1,1,0,0,0|1,0,0]=3 4728 B17R1.754 CCCCCCCOCC(C)c1ccccc1 7a_100011215166_100000210614 [0,1,1,0,0,0|1,0,0]=3 4729 B17R1.754 CCCCCCCOCC(O)c1ccccc1 34a_100000210272_100000185958 [0,1,1,0,0,0|1,0,0]=3 4730 B17R1.754 CCCCCCCOCC(O)c1ccccc1 7a_100000210272_100000185958 [0,1,1,0,0,0|1,0,0]=3 4731 B17R1.754 CCCCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210614 [0,1,1,0,0,0|1,0,0]=3 4732 B17R1.754 CCCCCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210614 [0,1,1,0,0,0|2,0,0]=4 4733 B17R1.754 CCCCCCCOC[C@@H](O)c1ccccc1 34a_100000210272_100011933945 [0,1,1,0,0,0|1,0,0]=3 4734 B17R1.754 CCCCCCCOC[C@@H](O)c1ccccc1 7a_100000210272_100011933945 [0,1,1,0,0,0|1,0,0]=3 4735 B17R1.754 CCCCCCCSCC(=O)c1ccccc1 62a_100000210614_100000211460 [0,1,1,0,0,0|1,0,1]=4 4736 B17R1.754 CCCCCCCSCC(=O)c1ccccc1 62a_100000211460_100000210316 [0,1,1,0,0,0|1,0,1]=4 4737 B17R1.754 CCCCCCCSCC(C)c1ccccc1 62a_100000210614_100000756946 [0,1,1,0,0,0|1,0,0]=3 4738 B17R1.754 CCCCCCCSCC(C)c1ccccc1 62a_100000756946_100000210316 [0,1,1,0,0,0|1,0,0]=3 4739 B17R1.754 CCCCCCCSCC(O)c1ccccc1 62a_100000185958_100000210316 [0,1,1,0,0,0|1,0,0]=3 4740 B17R1.754 CCCCCCCSCC(O)c1ccccc1 62a_100000210614_100000185958 [0,1,1,0,0,0|1,0,0]=3 4741 B17R1.754 CCCCCCCSCS(=O)c1ccccc1 62a_100000210614_100000031784 [0,1,1,0,0,0|2,0,0]=4 4742 B17R1.754 CCCCCCCSC[C@@H](O)c1ccccc1 62a_100000210614_100011933945 [0,1,1,0,0,0|1,0,0]=3 4743 B17R1.754 CCCCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210316 [0,1,1,0,0,0|1,0,0]=3 4744 B17R1.754 CCCCCCNCCC(C)c1ccccc1 270004a_100000210581_100000189432 [0,1,1,0,0,0|2,0,0]=4 4745 B17R1.754 CCCCCCNCCC(O)c1ccccc1 2230a_100000763605_100000210314 [0,1,1,0,0,0|2,0,0]=4 4746 B17R1.754 CCCCCCNCC[C@@H](O)c1ccccc1 2230a_100000210581_100000729684 [0,1,1,0,0,0|2,0,0]=4 4747 B17R1.754 CCCCCCOCC[C@@H](O)c1ccccc1 34a_100000210259_100000729684 [0,1,1,0,0,0|2,0,0]=4 4748 B17R1.754 CCCCCCOCC[C@@H](O)c1ccccc1 7a_100000210259_100000729684 [0,1,1,0,0,0|2,0,0]=4 4749 B17R1.754 CCCCCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210314 [0,1,1,0,0,0|2,0,0]=4 4750 B17R1.754 CCCCCCSCC[C@@H](O)c1ccccc1 62a_100000210314_100000729684 [0,1,1,0,0,0|2,0,0]=4 4751 B17R1.754 CCCCCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210757 [0,1,1,0,0,0|2,0,0]=4 4752 B17R1.754 CCCCCOCCCC(N)c1ccccc1 34a_100000759318_100000718602 [0,1,1,0,0,0|2,0,0]=4 4753 B17R1.754 CCCCOCCNCC(C)c1ccccc1 2230a_100000701038_100000743108 [0,1,1,0,0,0|1,0,0]=3 4754 B17R1.754 CCCCOCCNCC(C)c1ccccc1 34a_100000701038_100000743108 [0,1,1,0,0,0|1,0,0]=3 4755 B17R1.754 CCCCOCCNCC(O)c1ccccc1 2230a_100000210709_100000743108 [0,1,1,0,0,0|1,0,0]=3 4756 B17R1.754 CCCCOCCNCC(O)c1ccccn1 2230a_100000691469_100000743108 [0,1,1,0,0,0|2,0,0]=4 4757 B17R1.754 CCCCOCCNCC(O)c1cccnc1 2230a_100020605170_100000743108 [0,1,1,0,0,0|2,0,0]=4 4758 B17R1.754 CCCCOCCOCC(C)c1ccccc1 34a_100000210238_100000756946 [0,1,1,0,0,0|2,0,0]=4 4759 B17R1.754 CCCCOCCOCC(C)c1ccccc1 34a_100011215166_100000743108 [0,1,1,0,0,0|2,0,0]=4 4760 B17R1.754 CCCCOCCOCC(C)c1ccccc1 7a_100000210238_100000756946 [0,1,1,0,0,0|2,0,0]=4 4761 B17R1.754 CCCCOCCOCC(C)c1ccccc1 7a_100011215166_100000743108 [0,1,1,0,0,0|2,0,0]=4 4762 B17R1.754 CCCCOCCOCC(O)c1ccccc1 34a_100000210238_100000185958 [0,1,1,0,0,0|2,0,0]=4 4763 B17R1.754 CCCCOCCOCC(O)c1ccccc1 7a_100000210238_100000185958 [0,1,1,0,0,0|2,0,0]=4 4764 B17R1.754 CCCCOCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000743108 [0,1,1,0,0,0|2,0,0]=4 4765 B17R1.754 CCCCOCCOC[C@@H](O)c1ccccc1 34a_100000210238_100011933945 [0,1,1,0,0,0|2,0,0]=4 4766 B17R1.754 CCCCOCCOC[C@@H](O)c1ccccc1 7a_100000210238_100011933945 [0,1,1,0,0,0|2,0,0]=4 4767 B17R1.754 CCCCOCCSCC(C)c1ccccc1 62a_100000743108_100000756946 [0,1,1,0,0,0|2,0,0]=4 4768 B17R1.754 CCCCOCCSCC(C)c1ccccc1 62a_100000756946_100000743108 [0,1,1,0,0,0|2,0,0]=4 4769 B17R1.754 CCCCOCCSCC(O)c1ccccc1 62a_100000185958_100000743108 [0,1,1,0,0,0|2,0,0]=4 4770 B17R1.754 CCCCOCCSCC(O)c1ccccc1 62a_100000743108_100000185958 [0,1,1,0,0,0|2,0,0]=4 4771 B17R1.754 CCCCOCCSC[C@@H](O)c1ccccc1 62a_100000743108_100011933945 [0,1,1,0,0,0|2,0,0]=4 4772 B17R1.754 CCCCOCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000743108 [0,1,1,0,0,0|2,0,0]=4 4773 B17R1.754 CCCCSCCNCC(C)c1ccccc1 2230a_100025743550_100000756946 [0,1,1,0,0,0|1,0,0]=3 4774 B17R1.754 CCCCSCCNCC(C)c1ccccc1 270004a_100025743550_100000212034 [0,1,1,0,0,0|1,0,0]=3 4775 B17R1.754 CCCCSCCNCC(O)c1ccccc1 2230a_100025743550_100000185958 [0,1,1,0,0,0|1,0,0]=3 4776 B17R1.754 CCCCSCCNC[C@@H](O)c1ccccc1 2230a_100025743550_100011933945 [0,1,1,0,0,0|1,0,0]=3 4777 B17R1.754 CCCCSCCOCC(C)c1ccccc1 34a_200000230436_100000756946 [0,1,1,0,0,0|2,0,0]=4 4778 B17R1.754 CCCCSCCOCC(C)c1ccccc1 7a_200000230436_100000756946 [0,1,1,0,0,0|2,0,0]=4 4779 B17R1.754 CCCCSCCOCC(O)c1ccccc1 34a_200000230436_100000185958 [0,1,1,0,0,0|2,0,0]=4 4780 B17R1.754 CCCCSCCOCC(O)c1ccccc1 7a_200000230436_100000185958 [0,1,1,0,0,0|2,0,0]=4 4781 B17R1.754 CCCCSCCOC[C@@H](O)c1ccccc1 34a_200000230436_100011933945 [0,1,1,0,0,0|2,0,0]=4 4782 B17R1.754 CCCCSCCOC[C@@H](O)c1ccccc1 7a_200000230436_100011933945 [0,1,1,0,0,0|2,0,0]=4 4783 B17R1.754 CCCOCCCNCC(C)c1ccccc1 2230a_100011217757_100000756946 [0,1,1,0,0,0|1,0,0]=3 4784 B17R1.754 CCCOCCCNCC(C)c1ccccc1 270004a_100011217757_100000212034 [0,1,1,0,0,0|1,0,0]=3 4785 B17R1.754 CCCOCCCNCC(C)c1ccccc1 34a_100011217757_100000756946 [0,1,1,0,0,0|1,0,0]=3 4786 B17R1.754 CCCOCCCNCC(O)c1ccccc1 2230a_100011217757_100000185958 [0,1,1,0,0,0|1,0,0]=3 4787 B17R1.754 CCCOCCCNCC(O)c1ccccc1 34a_100011217757_100000185958 [0,1,1,0,0,0|1,0,0]=3 4788 B17R1.754 CCCOCCCNC[C@@H](O)c1ccccc1 2230a_100011217757_100011933945 [0,1,1,0,0,0|1,0,0]=3 4789 B17R1.754 CCCOCCCNC[C@@H](O)c1ccccc1 34a_100011217757_100011933945 [0,1,1,0,0,0|1,0,0]=3 4790 B17R1.754 CNCCCCCOCC(C)c1ccccc1 34a_100000722520_100000756946 [0,1,1,0,0,0|2,0,0]=4 4791 B17R1.754 CNCCCCCOCC(O)c1ccccc1 34a_100000722520_100000185958 [0,1,1,0,0,0|2,0,0]=4 4792 B17R1.754 CNCCCCCOC[C@@H](O)c1ccccc1 34a_100000722520_100011933945 [0,1,1,0,0,0|2,0,0]=4 4793 B17R1.754 COCCCCCNCC(C)c1ccccc1 2230a_100000747528_100000756946 [0,1,1,0,0,0|1,0,0]=3 4794 B17R1.754 COCCCCCNCC(C)c1ccccc1 270004a_100000747528_100000212034 [0,1,1,0,0,0|1,0,0]=3 4795 B17R1.754 COCCCCCNCC(C)c1ccccc1 34a_100000747528_100000756946 [0,1,1,0,0,0|1,0,0]=3 4796 B17R1.754 COCCCCCNCC(O)c1ccccc1 2230a_100000747528_100000185958 [0,1,1,0,0,0|1,0,0]=3 4797 B17R1.754 COCCCCCNCC(O)c1ccccc1 34a_100000747528_100000185958 [0,1,1,0,0,0|1,0,0]=3 4798 B17R1.754 COCCCCCNC[C@@H](O)c1ccccc1 2230a_100000747528_100011933945 [0,1,1,0,0,0|1,0,0]=3 4799 B17R1.754 COCCCCCNC[C@@H](O)c1ccccc1 34a_100000747528_100011933945 [0,1,1,0,0,0|1,0,0]=3 4800 B17R1.754 COCCOCCNCC(C)c1ccccc1 2230a_100000701038_100000695917 [0,1,1,0,0,0|2,0,0]=4 4801 B17R1.754 COCCOCCNCC(C)c1ccccc1 2230a_100000745349_100000756946 [0,1,1,0,0,0|2,0,0]=4 4802 B17R1.754 COCCOCCNCC(C)c1ccccc1 270004a_100000745349_100000212034 [0,1,1,0,0,0|2,0,0]=4 4803 B17R1.754 COCCOCCNCC(C)c1ccccc1 34a_100000701038_100000695917 [0,1,1,0,0,0|2,0,0]=4 4804 B17R1.754 COCCOCCNCC(C)c1ccccc1 34a_100000745349_100000756946 [0,1,1,0,0,0|2,0,0]=4 4805 B17R1.754 COCCOCCNCC(O)c1ccccc1 2230a_100000210709_100000695917 [0,1,1,0,0,0|2,0,0]=4 4806 B17R1.754 COCCOCCNCC(O)c1ccccc1 2230a_100000745349_100000185958 [0,1,1,0,0,0|2,0,0]=4 4807 B17R1.754 COCCOCCNCC(O)c1ccccc1 34a_100000745349_100000185958 [0,1,1,0,0,0|2,0,0]=4 4808 B17R1.754 COCCOCCNC[C@@H](O)c1ccccc1 2230a_100000745349_100011933945 [0,1,1,0,0,0|2,0,0]=4 4809 B17R1.754 COCCOCCNC[C@@H](O)c1ccccc1 34a_100000745349_100011933945 [0,1,1,0,0,0|2,0,0]=4 4810 B17R1.754 N#CCCCCCNCC(O)c1ccccc1 2230a_100000210709_100009813376 [0,1,1,0,0,0|1,0,1]=4 4811 B17R1.754 NCCCCCCOCC(O)c1ccccc1 34a_100000686447_100000185958 [0,1,1,0,0,0|2,0,0]=4 4812 B17R1.754 NCCCCCCOC[C@@H](O)c1ccccc1 34a_100000686447_100011933945 [0,1,1,0,0,0|2,0,0]=4 4813 B17R1.754 N[C@H](COCCCCCCF)c1ccccc1 34a_100000751927_100015922095 [0,1,1,0,0,0|2,0,0]=4 4814 B17R1.754 N[C@H](COCCCCCCO)c1ccccc1 34a_100000751927_100000766143 [0,1,1,0,0,0|2,0,0]=4 4815 B17R1.754 O=CCCCCCNCC(O)c1ccccc1 2230a_100000210709_100000139337 [0,1,1,0,0,0|1,0,1]=4 4816 B17R1.754 OC(CNCCCCCCF)c1ccccc1 2230a_100000210709_100015922095 [0,1,1,0,0,0|1,0,0]=3 4817 B17R1.754 OC(CNCCCCCCF)c1ccccn1 2230a_100000691469_100015922095 [0,1,1,0,0,0|2,0,0]=4 4818 B17R1.754 OC(CNCCCCCCF)c1cccnc1 2230a_100020605170_100015922095 [0,1,1,0,0,0|2,0,0]=4 4819 B17R1.754 OC(COCCCCCCBr)c1ccccc1 34a_100011215345_100000185958 [0,1,1,0,0,0|2,0,0]=4 4820 B17R1.754 OC(COCCCCCCBr)c1ccccc1 7a_100011215345_100000185958 [0,1,1,0,0,0|2,0,0]=4 4821 B17R1.754 OC(COCCCCCCCl)c1ccccc1 34a_100000766143_100000185958 [0,1,1,0,0,0|2,0,0]=4 4822 B17R1.754 OC(COCCCCCCCl)c1ccccc1 7a_100000766143_100000185958 [0,1,1,0,0,0|2,0,0]=4 4823 B17R1.754 OC(COCCCCCCF)c1ccccc1 34a_100000732779_100000185958 [0,1,1,0,0,0|2,0,0]=4 4824 B17R1.754 OC(COCCCCCCF)c1ccccc1 7a_100000732779_100000185958 [0,1,1,0,0,0|2,0,0]=4 4825 B17R1.754 OC(CSCCCCCCF)c1ccccc1 62a_100000185958_100015922095 [0,1,1,0,0,0|2,0,0]=4 4826 B17R1.754 OC(CSCCCCCCF)c1ccccc1 62a_100015922095_100000185958 [0,1,1,0,0,0|2,0,0]=4 4827 B17R1.754 OCCCCCCNCC(O)c1ccccc1 2230a_100000210709_100000766143 [0,1,1,0,0,0|1,0,0]=3 4828 B17R1.754 OCCCCCCNCC(O)c1ccccc1 2230a_100000686447_100000185958 [0,1,1,0,0,0|1,0,0]=3 4829 B17R1.754 OCCCCCCNCC(O)c1ccccc1 34a_100000686447_100000185958 [0,1,1,0,0,0|1,0,0]=3 4830 B17R1.754 OCCCCCCNCC(O)c1ccccn1 2230a_100000691469_100000766143 [0,1,1,0,0,0|2,0,0]=4 4831 B17R1.754 OCCCCCCNCC(O)c1cccnc1 2230a_100020605170_100000766143 [0,1,1,0,0,0|2,0,0]=4 4832 B17R1.754 OCCCCCCNC[C@@H](O)c1ccccc1 2230a_100000686447_100011933945 [0,1,1,0,0,0|1,0,0]=3 4833 B17R1.754 OCCCCCCNC[C@@H](O)c1ccccc1 34a_100000686447_100011933945 [0,1,1,0,0,0|1,0,0]=3 4834 B17R1.754 OCCCCCCSCC(O)c1ccccc1 62a_100000185958_100000766143 [0,1,1,0,0,0|2,0,0]=4 4835 B17R1.754 OCCCCCCSCC(O)c1ccccc1 62a_100000766143_100000185958 [0,1,1,0,0,0|2,0,0]=4 4836 B17R1.754 OCCCCCCSC[C@@H](O)c1ccccc1 62a_100000766143_100011933945 [0,1,1,0,0,0|2,0,0]=4 4837 B17R1.754 OCCCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766143 [0,1,1,0,0,0|2,0,0]=4 4838 B17R1.754 O[C@H](COCCCCCCBr)c1ccccc1 34a_100011215345_100011933945 [0,1,1,0,0,0|2,0,0]=4 4839 B17R1.754 O[C@H](COCCCCCCBr)c1ccccc1 7a_100011215345_100011933945 [0,1,1,0,0,0|2,0,0]=4 4840 B17R1.754 O[C@H](COCCCCCCCl)c1ccccc1 34a_100000766143_100011933945 [0,1,1,0,0,0|2,0,0]=4 4841 B17R1.754 O[C@H](COCCCCCCCl)c1ccccc1 7a_100000766143_100011933945 [0,1,1,0,0,0|2,0,0]=4 4842 B17R1.754 O[C@H](COCCCCCCF)c1ccccc1 34a_100000732779_100011933945 [0,1,1,0,0,0|2,0,0]=4 4843 B17R1.754 O[C@H](COCCCCCCF)c1ccccc1 7a_100000732779_100011933945 [0,1,1,0,0,0|2,0,0]=4 4844 B17R1.754 O[C@H](CSCCCCCCF)c1ccccc1 62a_100011933945_100015922095 [0,1,1,0,0,0|2,0,0]=4 4845 B17R1.754 O[C@H](CSCCCCCCF)c1ccccc1 62a_100015922095_100011933945 [0,1,1,0,0,0|2,0,0]=4 4846 B17R1.995 CCCC(=O)CCCCCCc1ccccc1 1458a_100000036270_100000210303 [0,1,1,0,0,0|1,0,1]=4 4847 B17R1.995 CCCC(=O)CCCCCCc1ccccc1 1458a_100000211992_100011218729 [0,1,1,0,0,0|1,0,1]=4 4848 B17R1.995 CCCC(C)CCCOCCc1ccccc1 34a_100011713154_100000765856 [0,1,1,0,0,0|1,0,0]=3 4849 B17R1.995 CCCC(C)CCCOCCc1ccccc1 7a_100011713154_100000765856 [0,1,1,0,0,0|1,0,0]=3 4850 B17R1.995 CCCC(C)CCCOCCc1ccccn1 7a_100011713154_100015183660 [0,1,1,0,0,0|2,0,0]=4 4851 B17R1.995 CCCC(C)CCCOCCc1cccnc1 7a_100011713154_200011713674 [0,1,1,0,0,0|2,0,0]=4 4852 B17R1.995 CCCC(C)CCCOCCc1ccncc1 7a_100011713154_100000723409 [0,1,1,0,0,0|2,0,0]=4 4853 B17R1.995 CCCC(C)CCOCCCc1ccccc1 34a_100011217855_100000211621 [0,1,1,0,0,0|2,0,0]=4 4854 B17R1.995 CCCC(C)CCOCCCc1ccccc1 7a_100011217855_100000211621 [0,1,1,0,0,0|2,0,0]=4 4855 B17R1.995 CCCC(C)CNCCCCc1ccccc1 2230a_100015280158_100011216630 [0,1,1,0,0,0|2,0,0]=4 4856 B17R1.995 CCCC(C)CNCCCCc1ccccc1 270004a_100015280158_100000243154 [0,1,1,0,0,0|2,0,0]=4 4857 B17R1.995 CCCC(C)CNCCCCc1ccccc1 34a_100015280158_100011216630 [0,1,1,0,0,0|2,0,0]=4 4858 B17R1.995 CCCC(C)COCCCCc1ccccc1 34a_100000688023_100000701786 [0,1,1,0,0,0|2,0,0]=4 4859 B17R1.995 CCCC(C)COCCCCc1ccccc1 34a_100000703073_100011216630 [0,1,1,0,0,0|2,0,0]=4 4860 B17R1.995 CCCC(C)COCCCCc1ccccc1 7a_100000688023_100000701786 [0,1,1,0,0,0|2,0,0]=4 4861 B17R1.995 CCCC(C)COCCCCc1ccccc1 7a_100000703073_100011216630 [0,1,1,0,0,0|2,0,0]=4 4862 B17R1.995 CCCC(C)CSCCCCc1ccccc1 62a_100000701786_100011216630 [0,1,1,0,0,0|2,0,0]=4 4863 B17R1.995 CCCC(C)CSCCCCc1ccccc1 62a_100011216630_100000701786 [0,1,1,0,0,0|2,0,0]=4 4864 B17R1.995 CCCC(C)NCCCCCc1ccccc1 2230a_100000741246_200011217138 [0,1,1,0,0,0|2,0,0]=4 4865 B17R1.995 CCCC(C)NCCCCCc1ccccc1 2230a_100000750932_100000766640 [0,1,1,0,0,0|2,0,0]=4 4866 B17R1.995 CCCC(C)NCCCCCc1ccccc1 270004a_100000750932_100000211909 [0,1,1,0,0,0|2,0,0]=4 4867 B17R1.995 CCCC(C)NCCCCCc1ccccc1 34a_100000750932_100000766640 [0,1,1,0,0,0|2,0,0]=4 4868 B17R1.995 CCCC(C)OCCCCCc1ccccc1 34a_100000764384_200011217138 [0,1,1,0,0,0|2,0,0]=4 4869 B17R1.995 CCCC(C)OCCCCCc1ccccc1 34a_200011219639_100000766640 [0,1,1,0,0,0|2,0,0]=4 4870 B17R1.995 CCCC(C)OCCCCCc1ccccc1 7a_100000764384_200011217138 [0,1,1,0,0,0|2,0,0]=4 4871 B17R1.995 CCCC(C)OCCCCCc1ccccc1 7a_200011219639_100000766640 [0,1,1,0,0,0|2,0,0]=4 4872 B17R1.995 CCCC(C)SCCCCCc1ccccc1 62a_100000766640_200011217138 [0,1,1,0,0,0|2,0,0]=4 4873 B17R1.995 CCCC(C)SCCCCCc1ccccc1 62a_200011217138_100000766640 [0,1,1,0,0,0|2,0,0]=4 4874 B17R1.995 CCCN(C)CCCCCCc1ccccc1 2230a_100000747261_100011218729 [0,1,1,0,0,0|2,0,0]=4 4875 B17R1.995 CCCN(C)CCCCCCc1ccccc1 269982a_100000747261_100011218729 [0,1,1,0,0,0|2,0,0]=4 4876 B17R1.995 CCC[C@H](N)CCOCCCc1ccccc1 34a_100015193777_100000211621 [0,1,1,0,0,0|2,0,0]=4 4877 B17R1.995 CCC[C@H](N)COCCCCc1ccccc1 34a_100000732646_100000701786 [0,1,1,0,0,0|2,0,0]=4 4878 B17R1.995 CCOC(=O)CCCNCCc1ccccc1 2230a_100000106460_100009991533 [0,1,1,0,0,0|1,0,1]=4 4879 B17R1.995 CCOC(=O)CCCNCCc1ccccc1 34a_100000106460_100009991533 [0,1,1,0,0,0|1,0,1]=4 4880 B17R1.1158 CCC(=O)CCCCCCCc1ccccc1 1458a_100000210414_200009813472 [0,1,1,0,0,0|1,0,1]=4 4881 B17R1.1158 CCC(=O)CCCCCCCc1ccccc1 1458a_200000034917_100000210202 [0,1,1,0,0,0|1,0,1]=4 4882 B17R1.1158 CCC(C)CCCCCOCc1ccccc1 7a_200000035636_100000211182 [0,1,1,0,0,0|2,0,0]=4 4883 B17R1.1158 CCC(C)CCCOCCCc1ccccc1 7a_100011216074_100000211621 [0,1,1,0,0,0|2,0,0]=4 4884 B17R1.1158 CCC(C)CCNCCCCc1ccccc1 2230a_100020591266_100000701786 [0,1,1,0,0,0|2,0,0]=4 4885 B17R1.1158 CCC(C)CCOCCCCc1ccccc1 7a_100011215188_100000701786 [0,1,1,0,0,0|2,0,0]=4 4886 B17R1.1158 CCC(C)CNCCCCCc1ccccc1 2230a_100000750932_100000748023 [0,1,1,0,0,0|2,0,0]=4 4887 B17R1.1158 CCC(C)CNCCCCCc1ccccc1 2230a_100020588543_200011217138 [0,1,1,0,0,0|2,0,0]=4 4888 B17R1.1158 CCC(C)CNCCCCCc1ccccc1 270004a_100000750932_100000243153 [0,1,1,0,0,0|2,0,0]=4 4889 B17R1.1158 CCC(C)CNCCCCCc1ccccc1 34a_100000750932_100000748023 [0,1,1,0,0,0|2,0,0]=4 4890 B17R1.1158 CCC(C)COCCCCCc1ccccc1 34a_200011219639_100000748023 [0,1,1,0,0,0|2,0,0]=4 4891 B17R1.1158 CCC(C)COCCCCCc1ccccc1 7a_200011219639_100000748023 [0,1,1,0,0,0|2,0,0]=4 4892 B17R1.1158 CCC(C)CSCCCCCc1ccccc1 62a_100000748023_200011217138 [0,1,1,0,0,0|2,0,0]=4 4893 B17R1.1158 CCC(C)CSCCCCCc1ccccc1 62a_200011217138_100000748023 [0,1,1,0,0,0|2,0,0]=4 4894 B17R1.1158 CCC(C)NCCCCCCc1ccccc1 2230a_100000209981_100011218729 [0,1,1,0,0,0|2,0,0]=4 4895 B17R1.1158 CCC(C)OCCCCCCc1ccccc1 34a_100011215581_100011215416 [0,1,1,0,0,0|2,0,0]=4 4896 B17R1.1158 CCC(C)OCCCCCCc1ccccc1 7a_100000210228_100011218729 [0,1,1,0,0,0|2,0,0]=4 4897 B17R1.1158 CCC(C)OCCCCCCc1ccccc1 7a_100011215581_100000758301 [0,1,1,0,0,0|2,0,0]=4 4898 B17R1.1158 CCC(C)SCCCCCCc1ccccc1 62a_100000758301_100011218729 [0,1,1,0,0,0|2,0,0]=4 4899 B17R1.1158 CCC(C)SCCCCCCc1ccccc1 62a_100011218729_100000758301 [0,1,1,0,0,0|2,0,0]=4 4900 B17R1.1158 CCC(O)CNCCCCCc1ccccc1 2230a_100000750932_100011218378 [0,1,1,0,0,0|2,0,0]=4 4901 B17R1.1158 CCC(O)CNCCCCCc1ccccc1 2230a_100011218483_200011217138 [0,1,1,0,0,0|2,0,0]=4 4902 B17R1.1158 CCC(O)CNCCCCCc1ccccc1 34a_100000750932_100011218378 [0,1,1,0,0,0|2,0,0]=4 4903 B17R1.1158 CCC(O)COCCCCCc1ccccc1 34a_200011219639_100011218378 [0,1,1,0,0,0|2,0,0]=4 4904 B17R1.1158 CCC(O)COCCCCCc1ccccc1 7a_200011219639_100011218378 [0,1,1,0,0,0|2,0,0]=4 4905 B17R1.1158 CCC(O)CSCCCCCc1ccccc1 62a_100011218378_200011217138 [0,1,1,0,0,0|2,0,0]=4 4906 B17R1.1158 CCC(O)CSCCCCCc1ccccc1 62a_200011217138_100011218378 [0,1,1,0,0,0|2,0,0]=4 4907 B17R1.1158 CCN(C)CCCCCCCc1ccccc1 2230a_100000225621_200009813472 [0,1,1,0,0,0|2,0,0]=4 4908 B17R1.1158 CCN(C)CCCCCCCc1ccccc1 269982a_100000225621_200009813472 [0,1,1,0,0,0|2,0,0]=4 4909 B17R1.1158 CC[C@H](C)CNCCCCCc1ccccc1 2230a_100000750932_100009816398 [0,1,1,0,0,0|2,0,0]=4 4910 B17R1.1158 CC[C@H](C)CNCCCCCc1ccccc1 34a_100000750932_100009816398 [0,1,1,0,0,0|2,0,0]=4 4911 B17R1.1158 CC[C@H](C)COCCCCCc1ccccc1 34a_200011219639_100009816398 [0,1,1,0,0,0|2,0,0]=4 4912 B17R1.1158 CC[C@H](C)COCCCCCc1ccccc1 7a_100009816381_200011217138 [0,1,1,0,0,0|2,0,0]=4 4913 B17R1.1158 CC[C@H](C)COCCCCCc1ccccc1 7a_200011219639_100009816398 [0,1,1,0,0,0|2,0,0]=4 4914 B17R1.1158 CC[C@H](C)CSCCCCCc1ccccc1 62a_100009816398_200011217138 [0,1,1,0,0,0|2,0,0]=4 4915 B17R1.1158 CC[C@H](C)CSCCCCCc1ccccc1 62a_200011217138_100009816398 [0,1,1,0,0,0|2,0,0]=4 4916 B17R1.1158 COC(=O)CCCCNCCc1ccccc1 2230a_100000106460_100000204269 [0,1,1,0,0,0|1,0,1]=4 4917 B17R1.1158 COC(=O)CCCCNCCc1ccccc1 34a_100000106460_100000204269 [0,1,1,0,0,0|1,0,1]=4 4918 B17R1.1242 BrCCCCCCCCOCc1ccccc1 34a_100009813846_100015291786 [0,1,1,0,0,0|2,0,0]=4 4919 B17R1.1242 BrCCCCCCCCOCc1ccccc1 7a_100009813846_100000211182 [0,1,1,0,0,0|2,0,0]=4 4920 B17R1.1242 BrCCCCCCCOCCc1ccccc1 34a_100000760002_100000765856 [0,1,1,0,0,0|1,0,0]=3 4921 B17R1.1242 BrCCCCCCCOCCc1ccccc1 7a_100000760002_100000765856 [0,1,1,0,0,0|1,0,0]=3 4922 B17R1.1242 BrCCCCCCCOCCc1ccccn1 7a_100000760002_100015183660 [0,1,1,0,0,0|2,0,0]=4 4923 B17R1.1242 BrCCCCCCCOCCc1cccnc1 7a_100000760002_200011713674 [0,1,1,0,0,0|2,0,0]=4 4924 B17R1.1242 BrCCCCCCCOCCc1ccncc1 7a_100000760002_100000723409 [0,1,1,0,0,0|2,0,0]=4 4925 B17R1.1242 BrCCCCCCOCCCc1ccccc1 34a_100011215345_100000211621 [0,1,1,0,0,0|2,0,0]=4 4926 B17R1.1242 BrCCCCCCOCCCc1ccccc1 7a_100011215345_100000211621 [0,1,1,0,0,0|2,0,0]=4 4927 B17R1.1242 BrCCCCCCOCCOc1ccccc1 34a_100011215345_100000184471 [0,1,1,0,0,0|2,0,0]=4 4928 B17R1.1242 BrCCCCCCOCCOc1ccccc1 7a_100011215345_100000184471 [0,1,1,0,0,0|2,0,0]=4 4929 B17R1.1242 BrCCCCCCOCCSc1ccccc1 34a_100011215345_100000246102 [0,1,1,0,0,0|2,0,0]=4 4930 B17R1.1242 BrCCCCCCOCCSc1ccccc1 7a_100011215345_100000246102 [0,1,1,0,0,0|2,0,0]=4 4931 B17R1.1242 BrCCCCCCOCOCc1ccccc1 34a_100011215345_100000763385 [0,1,1,0,0,0|2,0,0]=4 4932 B17R1.1242 BrCCCCCCOCSCc1ccccc1 34a_100011215345_200011217039 [0,1,1,0,0,0|2,0,0]=4 4933 B17R1.1242 BrCCCCCOCCCCc1ccccc1 34a_100000746331_100000701786 [0,1,1,0,0,0|2,0,0]=4 4934 B17R1.1242 BrCCCCCOCCCCc1ccccc1 7a_100000746331_100000701786 [0,1,1,0,0,0|2,0,0]=4 4935 B17R1.1242 BrCCCCOCCCCCc1ccccc1 34a_100011216708_200011217138 [0,1,1,0,0,0|2,0,0]=4 4936 B17R1.1242 BrCCCOCCCCCCc1ccccc1 34a_100011217188_100011218729 [0,1,1,0,0,0|2,0,0]=4 4937 B17R1.1242 BrCCOCCCCCCCc1ccccc1 34a_100000211926_200009813472 [0,1,1,0,0,0|2,0,0]=4 4938 B17R1.1242 C#CCCCCCCNCCc1ccccc1 2230a_100000106460_100012276617 [0,1,1,0,0,0|0,0,1]=3 4939 B17R1.1242 C#CCCCCCCNCCc1ccccc1 34a_100000106460_100012276617 [0,1,1,0,0,0|0,0,1]=3 4940 B17R1.1242 C#CCCCCCCNCCc1cccnc1 2230a_100000736294_100012276617 [0,1,1,0,0,0|1,0,1]=4 4941 B17R1.1242 C#CCCCCCCOCCc1ccccc1 34a_100000210268_100012276617 [0,1,1,0,0,0|1,0,1]=4 4942 B17R1.1242 C#CCCCCCCOCCc1ccccc1 34a_100011217361_100000765856 [0,1,1,0,0,0|1,0,1]=4 4943 B17R1.1242 C#CCCCCCCOCCc1ccccc1 7a_100000210268_100012276617 [0,1,1,0,0,0|1,0,1]=4 4944 B17R1.1242 C#CCCCCCCOCCc1ccccc1 7a_100011217361_100000765856 [0,1,1,0,0,0|1,0,1]=4 4945 B17R1.1242 C#CCCCCCCSCCc1ccccc1 62a_100000765856_100012276617 [0,1,1,0,0,0|1,0,1]=4 4946 B17R1.1242 C#CCCCCCCSCCc1ccccc1 62a_100012276617_100011218657 [0,1,1,0,0,0|1,0,1]=4 4947 B17R1.1242 C#CCCCCCNCCCc1ccccc1 2230a_100000211184_100012094781 [0,1,1,0,0,0|0,0,2]=4 4948 B17R1.1242 C#CCCCCCNCCCc1ccccc1 34a_100000211184_100012094781 [0,1,1,0,0,0|0,0,2]=4 4949 B17R1.1242 C#CCCCCCNCCOc1ccccc1 2230a_100000174943_100012094781 [0,1,1,0,0,0|0,0,2]=4 4950 B17R1.1242 C#CCCCCCNCCOc1ccccc1 34a_100000174943_100012094781 [0,1,1,0,0,0|0,0,2]=4 4951 B17R1.1242 C#CCCCCCNCCSc1ccccc1 2230a_100000189519_100012094781 [0,1,1,0,0,0|0,0,2]=4 4952 B17R1.1242 C=CCCCCCCNCCc1ccccc1 2230a_100000106460_100011215473 [0,1,1,0,0,0|0,0,1]=3 4953 B17R1.1242 C=CCCCCCCNCCc1ccccc1 34a_100000106460_100011215473 [0,1,1,0,0,0|0,0,1]=3 4954 B17R1.1242 C=CCCCCCCNCCc1cccnc1 2230a_100000736294_100011215473 [0,1,1,0,0,0|1,0,1]=4 4955 B17R1.1242 C=CCCCCCCOCCc1ccccc1 34a_100000210268_100011215473 [0,1,1,0,0,0|1,0,1]=4 4956 B17R1.1242 C=CCCCCCCOCCc1ccccc1 34a_200011216477_100000765856 [0,1,1,0,0,0|1,0,1]=4 4957 B17R1.1242 C=CCCCCCCOCCc1ccccc1 7a_100000210268_100011215473 [0,1,1,0,0,0|1,0,1]=4 4958 B17R1.1242 C=CCCCCCCOCCc1ccccc1 7a_200011216477_100000765856 [0,1,1,0,0,0|1,0,1]=4 4959 B17R1.1242 C=CCCCCCCSCCc1ccccc1 62a_100000765856_100011215473 [0,1,1,0,0,0|1,0,1]=4 4960 B17R1.1242 C=CCCCCCCSCCc1ccccc1 62a_100011215473_100011218657 [0,1,1,0,0,0|1,0,1]=4 4961 B17R1.1242 C=CCCCCCNCCCc1ccccc1 2230a_100000211184_100000700193 [0,1,1,0,0,0|0,0,2]=4 4962 B17R1.1242 C=CCCCCCNCCCc1ccccc1 34a_100000211184_100000700193 [0,1,1,0,0,0|0,0,2]=4 4963 B17R1.1242 C=CCCCCCNCCOc1ccccc1 2230a_100000174943_100000700193 [0,1,1,0,0,0|0,0,2]=4 4964 B17R1.1242 C=CCCCCCNCCOc1ccccc1 34a_100000174943_100000700193 [0,1,1,0,0,0|0,0,2]=4 4965 B17R1.1242 C=CCCCCCNCCSc1ccccc1 2230a_100000189519_100000700193 [0,1,1,0,0,0|0,0,2]=4 4966 B17R1.1242 CC/C=C\CCCCOCCc1ccccc1 34a_100016287862_100000765856 [0,1,1,0,0,0|1,0,1]=4 4967 B17R1.1242 CC/C=C\CCCCOCCc1ccccc1 7a_100016287862_100000765856 [0,1,1,0,0,0|1,0,1]=4 4968 B17R1.1242 CCCC/C=C\CCOCCc1ccccc1 34a_200016286491_100000765856 [0,1,1,0,0,0|1,0,1]=4 4969 B17R1.1242 CCCC/C=C\CCOCCc1ccccc1 7a_200016286491_100000765856 [0,1,1,0,0,0|1,0,1]=4 4970 B17R1.1242 CCCCC#CCCOCCc1ccccc1 34a_100000037610_100000765856 [0,1,1,0,0,0|1,0,1]=4 4971 B17R1.1242 CCCCC#CCCOCCc1ccccc1 7a_100000037610_100000765856 [0,1,1,0,0,0|1,0,1]=4 4972 B17R1.1242 CCCCC/C=C/COCCc1ccccc1 34a_100016258190_100000765856 [0,1,1,0,0,0|1,0,1]=4 4973 B17R1.1242 CCCCC/C=C/COCCc1ccccc1 7a_100016258190_100000765856 [0,1,1,0,0,0|1,0,1]=4 4974 B17R1.1242 CCCCCC#CCNCCc1ccccc1 2230a_100000106460_100009816472 [0,1,1,0,0,0|0,0,1]=3 4975 B17R1.1242 CCCCCC#CCNCCc1ccccc1 34a_100000106460_100009816472 [0,1,1,0,0,0|0,0,1]=3 4976 B17R1.1242 CCCCCC#CCNCCc1cccnc1 2230a_100000736294_100009816472 [0,1,1,0,0,0|1,0,1]=4 4977 B17R1.1242 CCCCCC#CCOCCc1ccccc1 34a_100000210268_100009816472 [0,1,1,0,0,0|1,0,1]=4 4978 B17R1.1242 CCCCCC#CCOCCc1ccccc1 34a_200000033628_100000765856 [0,1,1,0,0,0|1,0,1]=4 4979 B17R1.1242 CCCCCC#CCOCCc1ccccc1 7a_100000210268_100009816472 [0,1,1,0,0,0|1,0,1]=4 4980 B17R1.1242 CCCCCC#CCOCCc1ccccc1 7a_200000033628_100000765856 [0,1,1,0,0,0|1,0,1]=4 4981 B17R1.1242 CCCCCC#CCSCCc1ccccc1 62a_100000765856_100009816472 [0,1,1,0,0,0|1,0,1]=4 4982 B17R1.1242 CCCCCC#CCSCCc1ccccc1 62a_100009816472_100011218657 [0,1,1,0,0,0|1,0,1]=4 4983 B17R1.1242 CCCCCC/C=C/COCc1ccccc1 34a_200016276170_100015291786 [0,1,1,0,0,0|1,0,1]=4 4984 B17R1.1242 CCCCCC/C=C/COCc1ccccc1 7a_200016276170_100000211182 [0,1,1,0,0,0|1,0,1]=4 4985 B17R1.1242 CCCCCCC#CCOCc1ccccc1 34a_200000037284_100015291786 [0,1,1,0,0,0|1,0,1]=4 4986 B17R1.1242 CCCCCCC#CCOCc1ccccc1 7a_200000037284_100000211182 [0,1,1,0,0,0|1,0,1]=4 4987 B17R1.1242 CCCCCCC=NNCCc1ccccc1 4a_100000740470_100000234349 [0,1,1,0,0,0|0,0,1]=3 4988 B17R1.1242 CCCCCCCC=NNCc1ccccc1 4a_100000007032_100000210592 [0,1,1,0,0,0|1,0,1]=4 4989 B17R1.1242 CCCCCCCCCCNc1ccccc1 34a_100000106764_100000210320 [0,1,1,0,0,0|1,0,0]=3 4990 B17R1.1242 CCCCCCCCCCOc1ccccc1 34a_100000210340_100000210320 [0,1,1,0,0,0|1,0,0]=3 4991 B17R1.1242 CCCCCCCCCCOc1ccccc1 7a_100000210340_100000210320 [0,1,1,0,0,0|1,0,0]=3 4992 B17R1.1242 CCCCCCCCCCOc1cccnc1 34a_100000210849_100000210320 [0,1,1,0,0,0|2,0,0]=4 4993 B17R1.1242 CCCCCCCCCCOc1cccnc1 7a_100000210849_100000210320 [0,1,1,0,0,0|2,0,0]=4 4994 B17R1.1242 CCCCCCCCCCOc1ccncc1 34a_100000212176_100000210320 [0,1,1,0,0,0|2,0,0]=4 4995 B17R1.1242 CCCCCCCCCCSc1ccccc1 62a_100000719477_100000210320 [0,1,1,0,0,0|1,0,0]=3 4996 B17R1.1242 CCCCCCCCCCSc1ccccn1 62a_100011216584_100000210320 [0,1,1,0,0,0|2,0,0]=4 4997 B17R1.1242 CCCCCCCCCCSc1cccnc1 62a_100000210063_100000210320 [0,1,1,0,0,0|2,0,0]=4 4998 B17R1.1242 CCCCCCCCCCSc1ccncc1 62a_100000728582_100000210320 [0,1,1,0,0,0|2,0,0]=4 4999 B17R1.1242 CCCCCCCCCNCc1ccccc1 207a_100000212291_100015611070 [0,1,1,0,0,0|1,0,0]=3 5000 B17R1.1242 CCCCCCCCCNCc1ccccc1 2230a_100000212291_100015291786 [0,1,1,0,0,0|1,0,0]=3 5001 B17R1.1242 CCCCCCCCCNCc1ccccc1 2230a_100015324214_100011214924 [0,1,1,0,0,0|1,0,0]=3 5002 B17R1.1242 CCCCCCCCCNCc1ccccc1 270004a_100000212291_100015611070 [0,1,1,0,0,0|1,0,0]=3 5003 B17R1.1242 CCCCCCCCCNCc1ccccc1 34a_100000212291_100015291786 [0,1,1,0,0,0|1,0,0]=3 5004 B17R1.1242 CCCCCCCCCNCc1ccccc1 34a_100015324214_100011214924 [0,1,1,0,0,0|1,0,0]=3 5005 B17R1.1242 CCCCCCCCCNCc1ccccn1 207a_100000212291_100000209966 [0,1,1,0,0,0|2,0,0]=4 5006 B17R1.1242 CCCCCCCCCNCc1ccccn1 2230a_100000212291_100000721315 [0,1,1,0,0,0|2,0,0]=4 5007 B17R1.1242 CCCCCCCCCNCc1ccccn1 270004a_100000212291_100000209966 [0,1,1,0,0,0|2,0,0]=4 5008 B17R1.1242 CCCCCCCCCNCc1ccccn1 34a_100000212291_100000721315 [0,1,1,0,0,0|2,0,0]=4 5009 B17R1.1242 CCCCCCCCCNCc1cccnc1 207a_100000212291_100000209961 [0,1,1,0,0,0|2,0,0]=4 5010 B17R1.1242 CCCCCCCCCNCc1cccnc1 2230a_100000212291_100000741622 [0,1,1,0,0,0|2,0,0]=4 5011 B17R1.1242 CCCCCCCCCNCc1cccnc1 270004a_100000212291_100000209961 [0,1,1,0,0,0|2,0,0]=4 5012 B17R1.1242 CCCCCCCCCNCc1cccnc1 34a_100000212291_100000733263 [0,1,1,0,0,0|2,0,0]=4 5013 B17R1.1242 CCCCCCCCCNCc1ccncc1 207a_100000212291_100000186114 [0,1,1,0,0,0|2,0,0]=4 5014 B17R1.1242 CCCCCCCCCNCc1ccncc1 2230a_100000212291_100015193705 [0,1,1,0,0,0|2,0,0]=4 5015 B17R1.1242 CCCCCCCCCOCc1ccccc1 34a_100000210712_100015291786 [0,1,1,0,0,0|1,0,0]=3 5016 B17R1.1242 CCCCCCCCCOCc1ccccc1 34a_100000210790_100011214924 [0,1,1,0,0,0|1,0,0]=3 5017 B17R1.1242 CCCCCCCCCOCc1ccccc1 7a_100000210712_100000211182 [0,1,1,0,0,0|1,0,0]=3 5018 B17R1.1242 CCCCCCCCCOCc1ccccc1 7a_100000210790_100000210328 [0,1,1,0,0,0|1,0,0]=3 5019 B17R1.1242 CCCCCCCCCOCc1ccccn1 34a_100000210712_100000721315 [0,1,1,0,0,0|2,0,0]=4 5020 B17R1.1242 CCCCCCCCCOCc1ccccn1 7a_100000210712_100000721315 [0,1,1,0,0,0|2,0,0]=4 5021 B17R1.1242 CCCCCCCCCOCc1cccnc1 34a_100000210712_100000733263 [0,1,1,0,0,0|2,0,0]=4 5022 B17R1.1242 CCCCCCCCCOCc1cccnc1 7a_100000210712_100000741622 [0,1,1,0,0,0|2,0,0]=4 5023 B17R1.1242 CCCCCCCCCOCc1ccncc1 7a_100000210712_100015193705 [0,1,1,0,0,0|2,0,0]=4 5024 B17R1.1242 CCCCCCCCCSCc1ccccc1 62a_100000211182_100000210670 [0,1,1,0,0,0|1,0,0]=3 5025 B17R1.1242 CCCCCCCCCSCc1ccccn1 62a_100000721315_100000210670 [0,1,1,0,0,0|2,0,0]=4 5026 B17R1.1242 CCCCCCCCCSCc1cccnc1 62a_100000741622_100000210670 [0,1,1,0,0,0|2,0,0]=4 5027 B17R1.1242 CCCCCCCCCSCc1ccncc1 62a_100015193705_100000210670 [0,1,1,0,0,0|2,0,0]=4 5028 B17R1.1242 CCCCCCCCNCCc1ccccc1 2230a_100000106460_100000210759 [0,1,1,0,0,0|0,0,0]=2 5029 B17R1.1242 CCCCCCCCNCCc1ccccc1 2230a_100000229939_100000765856 [0,1,1,0,0,0|0,0,0]=2 5030 B17R1.1242 CCCCCCCCNCCc1ccccc1 34a_100000106460_100000210759 [0,1,1,0,0,0|0,0,0]=2 5031 B17R1.1242 CCCCCCCCNCCc1ccccc1 34a_100000229939_100000765856 [0,1,1,0,0,0|0,0,0]=2 5032 B17R1.1242 CCCCCCCCNCCc1ccccn1 2230a_100000229939_100015183660 [0,1,1,0,0,0|1,0,0]=3 5033 B17R1.1242 CCCCCCCCNCCc1cccnc1 2230a_100000229939_200011713674 [0,1,1,0,0,0|1,0,0]=3 5034 B17R1.1242 CCCCCCCCNCCc1cccnc1 2230a_100000736294_100000210759 [0,1,1,0,0,0|1,0,0]=3 5035 B17R1.1242 CCCCCCCCNCCc1ccncc1 2230a_100000229939_100000723409 [0,1,1,0,0,0|1,0,0]=3 5036 B17R1.1242 CCCCCCCCNCSc1ccccc1 2230a_100000229939_100011218342 [0,1,1,0,0,0|1,0,0]=3 5037 B17R1.1242 CCCCCCCCOCCc1ccccc1 34a_100000210232_100000765856 [0,1,1,0,0,0|1,0,0]=3 5038 B17R1.1242 CCCCCCCCOCCc1ccccc1 34a_100000210268_100000210759 [0,1,1,0,0,0|1,0,0]=3 5039 B17R1.1242 CCCCCCCCOCCc1ccccc1 7a_100000210232_100000765856 [0,1,1,0,0,0|1,0,0]=3 5040 B17R1.1242 CCCCCCCCOCCc1ccccc1 7a_100000210268_100000210759 [0,1,1,0,0,0|1,0,0]=3 5041 B17R1.1242 CCCCCCCCOCCc1ccccn1 34a_100000210271_100000210759 [0,1,1,0,0,0|2,0,0]=4 5042 B17R1.1242 CCCCCCCCOCCc1ccccn1 7a_100000210232_100015183660 [0,1,1,0,0,0|2,0,0]=4 5043 B17R1.1242 CCCCCCCCOCCc1cccnc1 34a_100011217484_100000210759 [0,1,1,0,0,0|2,0,0]=4 5044 B17R1.1242 CCCCCCCCOCCc1cccnc1 7a_100000210232_200011713674 [0,1,1,0,0,0|2,0,0]=4 5045 B17R1.1242 CCCCCCCCOCCc1ccncc1 34a_100011216225_100000210759 [0,1,1,0,0,0|2,0,0]=4 5046 B17R1.1242 CCCCCCCCOCCc1ccncc1 7a_100000210232_100000723409 [0,1,1,0,0,0|2,0,0]=4 5047 B17R1.1242 CCCCCCCCSCCc1ccccc1 62a_100000210759_100011218657 [0,1,1,0,0,0|1,0,0]=3 5048 B17R1.1242 CCCCCCCCSCCc1ccccc1 62a_100000765856_100000210317 [0,1,1,0,0,0|1,0,0]=3 5049 B17R1.1242 CCCCCCCCSCCc1ccccn1 62a_100000210759_100015183660 [0,1,1,0,0,0|2,0,0]=4 5050 B17R1.1242 CCCCCCCCSCCc1ccccn1 62a_100015183660_100000210317 [0,1,1,0,0,0|2,0,0]=4 5051 B17R1.1242 CCCCCCCCSCCc1cccnc1 62a_100000210759_200011713674 [0,1,1,0,0,0|2,0,0]=4 5052 B17R1.1242 CCCCCCCCSCCc1cccnc1 62a_200011713674_100000210317 [0,1,1,0,0,0|2,0,0]=4 5053 B17R1.1242 CCCCCCCCSCCc1ccncc1 62a_100000210759_100000723409 [0,1,1,0,0,0|2,0,0]=4 5054 B17R1.1242 CCCCCCCCSCCc1ccncc1 62a_100000723409_100000210317 [0,1,1,0,0,0|2,0,0]=4 5055 B17R1.1242 CCCCCCCCSCSc1ccccc1 62a_100000210759_100011218342 [0,1,1,0,0,0|2,0,0]=4 5056 B17R1.1242 CCCCCCCCSCSc1ccccc1 62a_100011218342_100000210317 [0,1,1,0,0,0|2,0,0]=4 5057 B17R1.1242 CCCCCCCNC/C=C/c1ccccc1 2230a_100000229938_100016265936 [0,1,1,0,0,0|0,0,1]=3 5058 B17R1.1242 CCCCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210681 [0,1,1,0,0,0|0,0,1]=3 5059 B17R1.1242 CCCCCCCNC/C=C/c1ccccc1 34a_100020603302_100000210614 [0,1,1,0,0,0|0,0,1]=3 5060 B17R1.1242 CCCCCCCNCC#Cc1ccccc1 2230a_100000229938_100011352542 [0,1,1,0,0,0|0,0,1]=3 5061 B17R1.1242 CCCCCCCNCC#Cc1ccccc1 34a_100000735379_100000210614 [0,1,1,0,0,0|0,0,1]=3 5062 B17R1.1242 CCCCCCCNCC=Cc1ccccc1 270004a_100000229938_100000210105 [0,1,1,0,0,0|0,0,1]=3 5063 B17R1.1242 CCCCCCCNCCCc1ccccc1 2230a_100000211184_100000210681 [0,1,1,0,0,0|0,0,0]=2 5064 B17R1.1242 CCCCCCCNCCCc1ccccc1 2230a_100000229938_100000211621 [0,1,1,0,0,0|0,0,0]=2 5065 B17R1.1242 CCCCCCCNCCCc1ccccc1 34a_100000211184_100000210614 [0,1,1,0,0,0|0,0,0]=2 5066 B17R1.1242 CCCCCCCNCCCc1cccnc1 2230a_100011532358_100000210681 [0,1,1,0,0,0|1,0,0]=3 5067 B17R1.1242 CCCCCCCNCCCc1cccnc1 34a_100011532358_100000210614 [0,1,1,0,0,0|1,0,0]=3 5068 B17R1.1242 CCCCCCCNCCCc1ccncc1 2230a_100011275580_100000210681 [0,1,1,0,0,0|1,0,0]=3 5069 B17R1.1242 CCCCCCCNCCOc1ccccc1 2230a_100000174943_100000210681 [0,1,1,0,0,0|0,0,0]=2 5070 B17R1.1242 CCCCCCCNCCOc1ccccc1 2230a_100000229938_100000184471 [0,1,1,0,0,0|0,0,0]=2 5071 B17R1.1242 CCCCCCCNCCOc1ccccc1 270004a_100000229938_100000758736 [0,1,1,0,0,0|0,0,0]=2 5072 B17R1.1242 CCCCCCCNCCOc1ccccc1 34a_100000174943_100000210614 [0,1,1,0,0,0|0,0,0]=2 5073 B17R1.1242 CCCCCCCNCCOc1ccccn1 2230a_106741647558_100000210681 [0,1,1,0,0,0|1,0,0]=3 5074 B17R1.1242 CCCCCCCNCCOc1cccnc1 2230a_100000754688_100000210681 [0,1,1,0,0,0|1,0,0]=3 5075 B17R1.1242 CCCCCCCNCCSc1ccccc1 2230a_100000189519_100000210681 [0,1,1,0,0,0|0,0,0]=2 5076 B17R1.1242 CCCCCCCNCCSc1ccccc1 2230a_100000229938_100000246102 [0,1,1,0,0,0|0,0,0]=2 5077 B17R1.1242 CCCCCCCNCOCc1ccccc1 2230a_100000229938_100000763385 [0,1,1,0,0,0|0,0,0]=2 5078 B17R1.1242 CCCCCCCNCSCc1ccccc1 2230a_100000229938_200011217039 [0,1,1,0,0,0|0,0,0]=2 5079 B17R1.1242 CCCCCCCOC/C=C/c1ccccc1 34a_100000210256_100000210614 [0,1,1,0,0,0|1,0,1]=4 5080 B17R1.1242 CCCCCCCOC/C=C/c1ccccc1 34a_100000210272_100016265936 [0,1,1,0,0,0|1,0,1]=4 5081 B17R1.1242 CCCCCCCOC/C=C/c1ccccc1 7a_100000210272_100016265936 [0,1,1,0,0,0|1,0,1]=4 5082 B17R1.1242 CCCCCCCOCC#Cc1ccccc1 34a_100000210272_100011352542 [0,1,1,0,0,0|1,0,1]=4 5083 B17R1.1242 CCCCCCCOCC#Cc1ccccc1 34a_100011217464_100000210614 [0,1,1,0,0,0|1,0,1]=4 5084 B17R1.1242 CCCCCCCOCC#Cc1ccccc1 7a_100000210272_100011352542 [0,1,1,0,0,0|1,0,1]=4 5085 B17R1.1242 CCCCCCCOCC#Cc1ccccc1 7a_100011217464_100000210614 [0,1,1,0,0,0|1,0,1]=4 5086 B17R1.1242 CCCCCCCOCCCc1ccccc1 34a_100000210272_100000211621 [0,1,1,0,0,0|1,0,0]=3 5087 B17R1.1242 CCCCCCCOCCCc1ccccc1 34a_100000210828_100000210614 [0,1,1,0,0,0|1,0,0]=3 5088 B17R1.1242 CCCCCCCOCCCc1ccccc1 7a_100000210272_100000211621 [0,1,1,0,0,0|1,0,0]=3 5089 B17R1.1242 CCCCCCCOCCCc1ccccc1 7a_100000210828_100000210614 [0,1,1,0,0,0|1,0,0]=3 5090 B17R1.1242 CCCCCCCOCCCc1ccccn1 34a_100011215068_100000210614 [0,1,1,0,0,0|2,0,0]=4 5091 B17R1.1242 CCCCCCCOCCCc1cccnc1 34a_100000211284_100000210614 [0,1,1,0,0,0|2,0,0]=4 5092 B17R1.1242 CCCCCCCOCCCc1ccncc1 34a_100000210659_100000210614 [0,1,1,0,0,0|2,0,0]=4 5093 B17R1.1242 CCCCCCCOCCNc1ccccc1 34a_100000211345_100000210614 [0,1,1,0,0,0|1,0,0]=3 5094 B17R1.1242 CCCCCCCOCCNc1ccncc1 34a_200011243140_100000210614 [0,1,1,0,0,0|2,0,0]=4 5095 B17R1.1242 CCCCCCCOCCOc1ccccc1 34a_100000210260_100000210614 [0,1,1,0,0,0|1,0,0]=3 5096 B17R1.1242 CCCCCCCOCCOc1ccccc1 34a_100000210272_100000184471 [0,1,1,0,0,0|1,0,0]=3 5097 B17R1.1242 CCCCCCCOCCOc1ccccc1 7a_100000210260_100000210614 [0,1,1,0,0,0|1,0,0]=3 5098 B17R1.1242 CCCCCCCOCCOc1ccccc1 7a_100000210272_100000184471 [0,1,1,0,0,0|1,0,0]=3 5099 B17R1.1242 CCCCCCCOCCSc1ccccc1 34a_100000210272_100000246102 [0,1,1,0,0,0|1,0,0]=3 5100 B17R1.1242 CCCCCCCOCCSc1ccccc1 7a_100000210272_100000246102 [0,1,1,0,0,0|1,0,0]=3 5101 B17R1.1242 CCCCCCCOCCSc1ccccc1 7a_100000230494_100000210614 [0,1,1,0,0,0|1,0,0]=3 5102 B17R1.1242 CCCCCCCOCCSc1ccccn1 7a_100000156319_100000210614 [0,1,1,0,0,0|2,0,0]=4 5103 B17R1.1242 CCCCCCCOCOCc1ccccc1 34a_100000210272_100000763385 [0,1,1,0,0,0|1,0,0]=3 5104 B17R1.1242 CCCCCCCOCSCc1ccccc1 34a_100000210272_200011217039 [0,1,1,0,0,0|1,0,0]=3 5105 B17R1.1242 CCCCCCCSC/C=C/c1ccccc1 62a_100000210614_100016265936 [0,1,1,0,0,0|1,0,1]=4 5106 B17R1.1242 CCCCCCCSC/C=C/c1ccccc1 62a_100016265936_100000210316 [0,1,1,0,0,0|1,0,1]=4 5107 B17R1.1242 CCCCCCCSCC#Cc1ccccc1 62a_100000210614_100011352542 [0,1,1,0,0,0|1,0,1]=4 5108 B17R1.1242 CCCCCCCSCCCc1ccccc1 62a_100000210614_100000211621 [0,1,1,0,0,0|1,0,0]=3 5109 B17R1.1242 CCCCCCCSCCCc1ccccc1 62a_100000211621_100000210316 [0,1,1,0,0,0|1,0,0]=3 5110 B17R1.1242 CCCCCCCSCCOc1ccccc1 62a_100000184471_100000210316 [0,1,1,0,0,0|1,0,0]=3 5111 B17R1.1242 CCCCCCCSCCOc1ccccc1 62a_100000210614_100000184471 [0,1,1,0,0,0|1,0,0]=3 5112 B17R1.1242 CCCCCCCSCCSc1ccccc1 62a_100000210614_100000246102 [0,1,1,0,0,0|1,0,0]=3 5113 B17R1.1242 CCCCCCCSCCSc1ccccc1 62a_100000246102_100000210316 [0,1,1,0,0,0|1,0,0]=3 5114 B17R1.1242 CCCCCCCSCOCc1ccccc1 62a_100000210614_100000763385 [0,1,1,0,0,0|1,0,0]=3 5115 B17R1.1242 CCCCCCCSCOCc1ccccc1 62a_100000763385_100000210316 [0,1,1,0,0,0|1,0,0]=3 5116 B17R1.1242 CCCCCCCSCSCc1ccccc1 62a_100000210614_200011217039 [0,1,1,0,0,0|1,0,0]=3 5117 B17R1.1242 CCCCCCCSCSCc1ccccc1 62a_200011217039_100000210316 [0,1,1,0,0,0|1,0,0]=3 5118 B17R1.1242 CCCCCCNCCCCc1ccccc1 2230a_100000210581_100000701786 [0,1,1,0,0,0|1,0,0]=3 5119 B17R1.1242 CCCCCCNCCCCc1ccccc1 2230a_100015280158_100000210314 [0,1,1,0,0,0|1,0,0]=3 5120 B17R1.1242 CCCCCCNCCCCc1ccccc1 34a_100015280158_100000210314 [0,1,1,0,0,0|1,0,0]=3 5121 B17R1.1242 CCCCCCNCCCCc1ccncc1 2230a_100000210581_100020630000 [0,1,1,0,0,0|2,0,0]=4 5122 B17R1.1242 CCCCCCNCCCOc1ccccc1 2230a_100000210581_100000199009 [0,1,1,0,0,0|2,0,0]=4 5123 B17R1.1242 CCCCCCNCCCOc1ccccc1 2230a_100000216521_100000210314 [0,1,1,0,0,0|2,0,0]=4 5124 B17R1.1242 CCCCCCNCCCOc1ccccc1 34a_100000216521_100000210314 [0,1,1,0,0,0|2,0,0]=4 5125 B17R1.1242 CCCCCCNCCCSc1ccccc1 2230a_100000184639_100000210314 [0,1,1,0,0,0|2,0,0]=4 5126 B17R1.1242 CCCCCCNCCCSc1ccccc1 2230a_100000210581_200011203293 [0,1,1,0,0,0|2,0,0]=4 5127 B17R1.1242 CCCCCCNCCOCc1ccccc1 2230a_100000210581_100000234347 [0,1,1,0,0,0|2,0,0]=4 5128 B17R1.1242 CCCCCCNCCOCc1ccccc1 2230a_100000753106_100000210314 [0,1,1,0,0,0|2,0,0]=4 5129 B17R1.1242 CCCCCCNCCOCc1ccccc1 34a_100000753106_100000210314 [0,1,1,0,0,0|2,0,0]=4 5130 B17R1.1242 CCCCCCNCCSCc1ccccc1 2230a_100000189534_100000210314 [0,1,1,0,0,0|2,0,0]=4 5131 B17R1.1242 CCCCCCNCCSCc1ccccc1 2230a_100000210581_200011297719 [0,1,1,0,0,0|2,0,0]=4 5132 B17R1.1242 CCCCCCNCCSCc1ccccc1 34a_100000189534_100000210314 [0,1,1,0,0,0|2,0,0]=4 5133 B17R1.1242 CCCCCCNCCSCc1ccccc1 7a_100000189534_100000210314 [0,1,1,0,0,0|2,0,0]=4 5134 B17R1.1242 CCCCCCOCCCCc1ccccc1 34a_100000210259_100000701786 [0,1,1,0,0,0|1,0,0]=3 5135 B17R1.1242 CCCCCCOCCCCc1ccccc1 34a_100000703073_100000210314 [0,1,1,0,0,0|1,0,0]=3 5136 B17R1.1242 CCCCCCOCCCCc1ccccc1 7a_100000210259_100000701786 [0,1,1,0,0,0|1,0,0]=3 5137 B17R1.1242 CCCCCCOCCCCc1ccccc1 7a_100000703073_100000210314 [0,1,1,0,0,0|1,0,0]=3 5138 B17R1.1242 CCCCCCOCCCCc1ccccn1 34a_100012186994_100000210314 [0,1,1,0,0,0|2,0,0]=4 5139 B17R1.1242 CCCCCCOCCCCc1cccnc1 34a_100012039607_100000210314 [0,1,1,0,0,0|2,0,0]=4 5140 B17R1.1242 CCCCCCOCCCCc1cccnc1 7a_100012039607_100000210314 [0,1,1,0,0,0|2,0,0]=4 5141 B17R1.1242 CCCCCCOCCCCc1ccncc1 34a_100011787716_100000210314 [0,1,1,0,0,0|2,0,0]=4 5142 B17R1.1242 CCCCCCOCCCCc1ccncc1 7a_100000210259_100020630000 [0,1,1,0,0,0|2,0,0]=4 5143 B17R1.1242 CCCCCCOCCCNc1ccccc1 34a_100000212590_100000210314 [0,1,1,0,0,0|2,0,0]=4 5144 B17R1.1242 CCCCCCOCCCOc1ccccc1 34a_100000210259_100000199009 [0,1,1,0,0,0|2,0,0]=4 5145 B17R1.1242 CCCCCCOCCCOc1ccccc1 34a_100011215863_100000210314 [0,1,1,0,0,0|2,0,0]=4 5146 B17R1.1242 CCCCCCOCCCOc1ccccc1 7a_100000210259_100000199009 [0,1,1,0,0,0|2,0,0]=4 5147 B17R1.1242 CCCCCCOCCCOc1ccccc1 7a_100011215863_100000210314 [0,1,1,0,0,0|2,0,0]=4 5148 B17R1.1242 CCCCCCOCCCSc1ccccc1 34a_100000210259_200011203293 [0,1,1,0,0,0|2,0,0]=4 5149 B17R1.1242 CCCCCCOCCCSc1ccccc1 7a_100000210259_200011203293 [0,1,1,0,0,0|2,0,0]=4 5150 B17R1.1242 CCCCCCOCCNCc1ccccc1 34a_100000180844_100000210314 [0,1,1,0,0,0|2,0,0]=4 5151 B17R1.1242 CCCCCCOCCOCc1ccccc1 34a_100000210259_100000234347 [0,1,1,0,0,0|2,0,0]=4 5152 B17R1.1242 CCCCCCOCCOCc1ccccc1 34a_100000691444_100015291786 [0,1,1,0,0,0|2,0,0]=4 5153 B17R1.1242 CCCCCCOCCOCc1ccccc1 34a_100000759325_100000210314 [0,1,1,0,0,0|2,0,0]=4 5154 B17R1.1242 CCCCCCOCCOCc1ccccc1 7a_100000210259_100000234347 [0,1,1,0,0,0|2,0,0]=4 5155 B17R1.1242 CCCCCCOCCOCc1ccccc1 7a_100000691444_100000211182 [0,1,1,0,0,0|2,0,0]=4 5156 B17R1.1242 CCCCCCOCCOCc1ccccc1 7a_100000759325_100000210314 [0,1,1,0,0,0|2,0,0]=4 5157 B17R1.1242 CCCCCCOCCSCc1ccccc1 34a_100000210259_200011297719 [0,1,1,0,0,0|2,0,0]=4 5158 B17R1.1242 CCCCCCOCCSCc1ccccc1 34a_100011205989_100000210314 [0,1,1,0,0,0|2,0,0]=4 5159 B17R1.1242 CCCCCCOCCSCc1ccccc1 7a_100011205989_100000210314 [0,1,1,0,0,0|2,0,0]=4 5160 B17R1.1242 CCCCCCSCCCCc1ccccc1 62a_100000210314_100000701786 [0,1,1,0,0,0|1,0,0]=3 5161 B17R1.1242 CCCCCCSCCCCc1ccccc1 62a_100000701786_100000210757 [0,1,1,0,0,0|1,0,0]=3 5162 B17R1.1242 CCCCCCSCCCCc1ccncc1 62a_100000210314_100020630000 [0,1,1,0,0,0|2,0,0]=4 5163 B17R1.1242 CCCCCCSCCCCc1ccncc1 62a_100020630000_100000210757 [0,1,1,0,0,0|2,0,0]=4 5164 B17R1.1242 CCCCCCSCCCOc1ccccc1 62a_100000199009_100000210757 [0,1,1,0,0,0|2,0,0]=4 5165 B17R1.1242 CCCCCCSCCCOc1ccccc1 62a_100000210314_100000199009 [0,1,1,0,0,0|2,0,0]=4 5166 B17R1.1242 CCCCCCSCCCSc1ccccc1 62a_100000210314_200011203293 [0,1,1,0,0,0|2,0,0]=4 5167 B17R1.1242 CCCCCCSCCCSc1ccccc1 62a_200011203293_100000210757 [0,1,1,0,0,0|2,0,0]=4 5168 B17R1.1242 CCCCCCSCCOCc1ccccc1 62a_100000210314_100000234347 [0,1,1,0,0,0|2,0,0]=4 5169 B17R1.1242 CCCCCCSCCOCc1ccccc1 62a_100000234347_100000210757 [0,1,1,0,0,0|2,0,0]=4 5170 B17R1.1242 CCCCCCSCCSCc1ccccc1 62a_100000210314_200011297719 [0,1,1,0,0,0|2,0,0]=4 5171 B17R1.1242 CCCCCCSCCSCc1ccccc1 62a_200011297719_100000210757 [0,1,1,0,0,0|2,0,0]=4 5172 B17R1.1242 CCCCCNCCCCCc1ccccc1 2230a_100000209983_200011217138 [0,1,1,0,0,0|1,0,0]=3 5173 B17R1.1242 CCCCCNCCCCCc1ccccc1 2230a_100000750932_100000210326 [0,1,1,0,0,0|1,0,0]=3 5174 B17R1.1242 CCCCCNCCCCCc1ccccc1 34a_100000750932_100000718602 [0,1,1,0,0,0|1,0,0]=3 5175 B17R1.1242 CCCCCNCCCCOc1ccccc1 2230a_100000209983_100011215240 [0,1,1,0,0,0|2,0,0]=4 5176 B17R1.1242 CCCCCNCCCOCc1ccccc1 2230a_100000209983_100011215529 [0,1,1,0,0,0|2,0,0]=4 5177 B17R1.1242 CCCCCNCCCOCc1ccccc1 2230a_200000206031_100000210326 [0,1,1,0,0,0|2,0,0]=4 5178 B17R1.1242 CCCCCNCCCOCc1ccccc1 34a_200000206031_100000718602 [0,1,1,0,0,0|2,0,0]=4 5179 B17R1.1242 CCCCCNCCOCCc1ccccc1 34a_100000224656_100000765856 [0,1,1,0,0,0|1,0,0]=3 5180 B17R1.1242 CCCCCOCCCCCc1ccccc1 34a_100000210253_200011217138 [0,1,1,0,0,0|1,0,0]=3 5181 B17R1.1242 CCCCCOCCCCCc1ccccc1 34a_200011219639_100000718602 [0,1,1,0,0,0|1,0,0]=3 5182 B17R1.1242 CCCCCOCCCCCc1ccccc1 7a_100000210253_200011217138 [0,1,1,0,0,0|1,0,0]=3 5183 B17R1.1242 CCCCCOCCCCCc1ccccc1 7a_200011219639_100000210326 [0,1,1,0,0,0|1,0,0]=3 5184 B17R1.1242 CCCCCOCCCCOc1ccccc1 34a_100000210253_100011215240 [0,1,1,0,0,0|2,0,0]=4 5185 B17R1.1242 CCCCCOCCCCOc1ccccc1 34a_100000752354_100000718602 [0,1,1,0,0,0|2,0,0]=4 5186 B17R1.1242 CCCCCOCCCCOc1ccccc1 7a_100000210253_100011215240 [0,1,1,0,0,0|2,0,0]=4 5187 B17R1.1242 CCCCCOCCCCOc1ccccc1 7a_100000752354_100000210326 [0,1,1,0,0,0|2,0,0]=4 5188 B17R1.1242 CCCCCOCCCNCc1ccccc1 34a_100000185501_100000718602 [0,1,1,0,0,0|2,0,0]=4 5189 B17R1.1242 CCCCCOCCCOCc1ccccc1 34a_100000210253_100011215529 [0,1,1,0,0,0|2,0,0]=4 5190 B17R1.1242 CCCCCOCCCOCc1ccccc1 34a_100000691849_100000718602 [0,1,1,0,0,0|2,0,0]=4 5191 B17R1.1242 CCCCCOCCCOCc1ccccc1 7a_100000210253_100011215529 [0,1,1,0,0,0|2,0,0]=4 5192 B17R1.1242 CCCCCOCCCOCc1ccccc1 7a_100000691849_100000210326 [0,1,1,0,0,0|2,0,0]=4 5193 B17R1.1242 CCCCCOCCOCCc1ccccc1 34a_100011215259_100000765856 [0,1,1,0,0,0|1,0,0]=3 5194 B17R1.1242 CCCCCOCCOCCc1ccccc1 7a_100011215259_100000765856 [0,1,1,0,0,0|1,0,0]=3 5195 B17R1.1242 CCCCCOCCOCCc1ccccn1 7a_100011215259_100015183660 [0,1,1,0,0,0|2,0,0]=4 5196 B17R1.1242 CCCCCOCCOCCc1cccnc1 7a_100011215259_200011713674 [0,1,1,0,0,0|2,0,0]=4 5197 B17R1.1242 CCCCCOCCOCCc1ccncc1 7a_100011215259_100000723409 [0,1,1,0,0,0|2,0,0]=4 5198 B17R1.1242 CCCCCOCCSCCc1ccccn1 34a_100011362645_100000718602 [0,1,1,0,0,0|2,0,0]=4 5199 B17R1.1242 CCCCCOCCSCCc1ccccn1 7a_100011362645_100000210326 [0,1,1,0,0,0|2,0,0]=4 5200 B17R1.1242 CCCCCOCCSCCc1ccncc1 34a_200011193335_100000718602 [0,1,1,0,0,0|2,0,0]=4 5201 B17R1.1242 CCCCCOCCSCCc1ccncc1 7a_200011193335_100000210326 [0,1,1,0,0,0|2,0,0]=4 5202 B17R1.1242 CCCCCSCCCCCc1ccccc1 62a_100000210326_200011217138 [0,1,1,0,0,0|1,0,0]=3 5203 B17R1.1242 CCCCCSCCCCCc1ccccc1 62a_200011217138_100000210326 [0,1,1,0,0,0|1,0,0]=3 5204 B17R1.1242 CCCCCSCCCCOc1ccccc1 62a_100000210326_100011215240 [0,1,1,0,0,0|2,0,0]=4 5205 B17R1.1242 CCCCCSCCCCOc1ccccc1 62a_100011215240_100000210326 [0,1,1,0,0,0|2,0,0]=4 5206 B17R1.1242 CCCCCSCCCOCc1ccccc1 62a_100000210326_100011215529 [0,1,1,0,0,0|2,0,0]=4 5207 B17R1.1242 CCCCCSCCCOCc1ccccc1 62a_100011215529_100000210326 [0,1,1,0,0,0|2,0,0]=4 5208 B17R1.1242 CCCCNCCCCCCc1ccccc1 2230a_100000102301_100011218729 [0,1,1,0,0,0|1,0,0]=3 5209 B17R1.1242 CCCCNCCCCCCc1ccccc1 7a_106832991798_100011218729 [0,1,1,0,0,0|1,0,0]=3 5210 B17R1.1242 CCCCNCCCCCOc1ccccc1 2230a_100000102301_200011777167 [0,1,1,0,0,0|2,0,0]=4 5211 B17R1.1242 CCCCNCCCCCOc1ccccc1 7a_106832991798_200011777167 [0,1,1,0,0,0|2,0,0]=4 5212 B17R1.1242 CCCCNCCCCOCc1ccccc1 2230a_100000102301_100011219843 [0,1,1,0,0,0|2,0,0]=4 5213 B17R1.1242 CCCCNCCCCOCc1ccccc1 2230a_100000748060_100000210211 [0,1,1,0,0,0|2,0,0]=4 5214 B17R1.1242 CCCCNCCCCOCc1ccccc1 34a_100000748060_100000210210 [0,1,1,0,0,0|2,0,0]=4 5215 B17R1.1242 CCCCNCCCCOCc1ccccc1 34a_200011216965_100015291786 [0,1,1,0,0,0|2,0,0]=4 5216 B17R1.1242 CCCCNCCCCOCc1ccccc1 7a_106832991798_100011219843 [0,1,1,0,0,0|2,0,0]=4 5217 B17R1.1242 CCCCOCCCCCCc1ccccc1 34a_100000210227_100011218729 [0,1,1,0,0,0|1,0,0]=3 5218 B17R1.1242 CCCCOCCCCCCc1ccccc1 34a_100011215581_100000210210 [0,1,1,0,0,0|1,0,0]=3 5219 B17R1.1242 CCCCOCCCCCCc1ccccc1 7a_100000210227_100011218729 [0,1,1,0,0,0|1,0,0]=3 5220 B17R1.1242 CCCCOCCCCCCc1ccccc1 7a_100011215581_100000210211 [0,1,1,0,0,0|1,0,0]=3 5221 B17R1.1242 CCCCOCCCCCOc1ccccc1 34a_100000210227_200011777167 [0,1,1,0,0,0|2,0,0]=4 5222 B17R1.1242 CCCCOCCCCCOc1ccccc1 7a_100000210227_200011777167 [0,1,1,0,0,0|2,0,0]=4 5223 B17R1.1242 CCCCOCCCCNCc1ccccc1 34a_100000186360_100000210210 [0,1,1,0,0,0|2,0,0]=4 5224 B17R1.1242 CCCCOCCCCOCc1ccccc1 34a_100000210227_100011219843 [0,1,1,0,0,0|2,0,0]=4 5225 B17R1.1242 CCCCOCCCCOCc1ccccc1 34a_100011215074_100000210210 [0,1,1,0,0,0|2,0,0]=4 5226 B17R1.1242 CCCCOCCCCOCc1ccccc1 34a_200000760531_100015291786 [0,1,1,0,0,0|2,0,0]=4 5227 B17R1.1242 CCCCOCCCCOCc1ccccc1 7a_100000210227_100011219843 [0,1,1,0,0,0|2,0,0]=4 5228 B17R1.1242 CCCCOCCCCOCc1ccccc1 7a_100011215074_100000210211 [0,1,1,0,0,0|2,0,0]=4 5229 B17R1.1242 CCCCOCCCCOCc1ccccc1 7a_200000760531_100000211182 [0,1,1,0,0,0|2,0,0]=4 5230 B17R1.1242 CCCCOCCCNCCc1ccccc1 2230a_200000211371_100000765856 [0,1,1,0,0,0|0,0,0]=2 5231 B17R1.1242 CCCCOCCCNCCc1ccccc1 34a_200000211371_100000765856 [0,1,1,0,0,0|0,0,0]=2 5232 B17R1.1242 CCCCOCCCNCCc1ccccn1 2230a_200000211371_100015183660 [0,1,1,0,0,0|1,0,0]=3 5233 B17R1.1242 CCCCOCCCNCCc1cccnc1 2230a_200000211371_200011713674 [0,1,1,0,0,0|1,0,0]=3 5234 B17R1.1242 CCCCOCCCNCCc1ccncc1 2230a_200000211371_100000723409 [0,1,1,0,0,0|1,0,0]=3 5235 B17R1.1242 CCCCOCCCNCSc1ccccc1 2230a_200000211371_100011218342 [0,1,1,0,0,0|1,0,0]=3 5236 B17R1.1242 CCCCOCCCOCCc1ccccc1 34a_200011215613_100000765856 [0,1,1,0,0,0|1,0,0]=3 5237 B17R1.1242 CCCCOCCCOCCc1ccccc1 7a_200011215613_100000765856 [0,1,1,0,0,0|1,0,0]=3 5238 B17R1.1242 CCCCOCCCOCCc1ccccn1 7a_200011215613_100015183660 [0,1,1,0,0,0|2,0,0]=4 5239 B17R1.1242 CCCCOCCCOCCc1cccnc1 7a_200011215613_200011713674 [0,1,1,0,0,0|2,0,0]=4 5240 B17R1.1242 CCCCOCCCOCCc1ccncc1 7a_200011215613_100000723409 [0,1,1,0,0,0|2,0,0]=4 5241 B17R1.1242 CCCCOCCNC/C=C/c1ccccc1 2230a_100020603302_100000743108 [0,1,1,0,0,0|1,0,1]=4 5242 B17R1.1242 CCCCOCCNC/C=C/c1ccccc1 34a_100020603302_100000743108 [0,1,1,0,0,0|1,0,1]=4 5243 B17R1.1242 CCCCOCCNC/C=C/c1ccccc1 34a_100020603566_100000210210 [0,1,1,0,0,0|1,0,1]=4 5244 B17R1.1242 CCCCOCCNCC#Cc1ccccc1 34a_100000735379_100000743108 [0,1,1,0,0,0|1,0,1]=4 5245 B17R1.1242 CCCCOCCNCCCc1ccccc1 2230a_100000211184_100000743108 [0,1,1,0,0,0|1,0,0]=3 5246 B17R1.1242 CCCCOCCNCCCc1ccccc1 34a_100000211184_100000743108 [0,1,1,0,0,0|1,0,0]=3 5247 B17R1.1242 CCCCOCCNCCCc1cccnc1 2230a_100011532358_100000743108 [0,1,1,0,0,0|2,0,0]=4 5248 B17R1.1242 CCCCOCCNCCCc1cccnc1 34a_100011532358_100000743108 [0,1,1,0,0,0|2,0,0]=4 5249 B17R1.1242 CCCCOCCNCCCc1ccncc1 2230a_100011275580_100000743108 [0,1,1,0,0,0|2,0,0]=4 5250 B17R1.1242 CCCCOCCNCCOc1ccccc1 2230a_100000174943_100000743108 [0,1,1,0,0,0|1,0,0]=3 5251 B17R1.1242 CCCCOCCNCCOc1ccccc1 34a_100000174943_100000743108 [0,1,1,0,0,0|1,0,0]=3 5252 B17R1.1242 CCCCOCCNCCOc1ccccn1 2230a_106741647558_100000743108 [0,1,1,0,0,0|2,0,0]=4 5253 B17R1.1242 CCCCOCCNCCOc1cccnc1 2230a_100000754688_100000743108 [0,1,1,0,0,0|2,0,0]=4 5254 B17R1.1242 CCCCOCCNCCSc1ccccc1 2230a_100000189519_100000743108 [0,1,1,0,0,0|1,0,0]=3 5255 B17R1.1242 CCCCOCCOCCCc1ccccc1 34a_100000210238_100000211621 [0,1,1,0,0,0|2,0,0]=4 5256 B17R1.1242 CCCCOCCOCCCc1ccccc1 34a_100000210828_100000743108 [0,1,1,0,0,0|2,0,0]=4 5257 B17R1.1242 CCCCOCCOCCCc1ccccc1 7a_100000210238_100000211621 [0,1,1,0,0,0|2,0,0]=4 5258 B17R1.1242 CCCCOCCOCCCc1ccccc1 7a_100000210828_100000743108 [0,1,1,0,0,0|2,0,0]=4 5259 B17R1.1242 CCCCOCCOCCNc1ccccc1 34a_100000211345_100000743108 [0,1,1,0,0,0|2,0,0]=4 5260 B17R1.1242 CCCCOCCOCCOc1ccccc1 34a_100000210238_100000184471 [0,1,1,0,0,0|2,0,0]=4 5261 B17R1.1242 CCCCOCCOCCOc1ccccc1 34a_100000210260_100000743108 [0,1,1,0,0,0|2,0,0]=4 5262 B17R1.1242 CCCCOCCOCCOc1ccccc1 34a_100000756377_100000210210 [0,1,1,0,0,0|2,0,0]=4 5263 B17R1.1242 CCCCOCCOCCOc1ccccc1 7a_100000210238_100000184471 [0,1,1,0,0,0|2,0,0]=4 5264 B17R1.1242 CCCCOCCOCCOc1ccccc1 7a_100000210260_100000743108 [0,1,1,0,0,0|2,0,0]=4 5265 B17R1.1242 CCCCOCCOCCOc1ccccc1 7a_100000756377_100000210211 [0,1,1,0,0,0|2,0,0]=4 5266 B17R1.1242 CCCCOCCOCCSc1ccccc1 34a_100000210238_100000246102 [0,1,1,0,0,0|2,0,0]=4 5267 B17R1.1242 CCCCOCCOCCSc1ccccc1 7a_100000210238_100000246102 [0,1,1,0,0,0|2,0,0]=4 5268 B17R1.1242 CCCCOCCOCCSc1ccccc1 7a_100000230494_100000743108 [0,1,1,0,0,0|2,0,0]=4 5269 B17R1.1242 CCCCOCCOCOCc1ccccc1 34a_100000210238_100000763385 [0,1,1,0,0,0|2,0,0]=4 5270 B17R1.1242 CCCCOCCOCSCc1ccccc1 34a_100000210238_200011217039 [0,1,1,0,0,0|2,0,0]=4 5271 B17R1.1242 CCCCOCCSCCCc1ccccc1 62a_100000211621_100000743108 [0,1,1,0,0,0|2,0,0]=4 5272 B17R1.1242 CCCCOCCSCCCc1ccccc1 62a_100000743108_100000211621 [0,1,1,0,0,0|2,0,0]=4 5273 B17R1.1242 CCCCOCCSCCOc1ccccc1 62a_100000184471_100000743108 [0,1,1,0,0,0|2,0,0]=4 5274 B17R1.1242 CCCCOCCSCCOc1ccccc1 62a_100000743108_100000184471 [0,1,1,0,0,0|2,0,0]=4 5275 B17R1.1242 CCCCOCCSCCSc1ccccc1 62a_100000246102_100000743108 [0,1,1,0,0,0|2,0,0]=4 5276 B17R1.1242 CCCCOCCSCCSc1ccccc1 62a_100000743108_100000246102 [0,1,1,0,0,0|2,0,0]=4 5277 B17R1.1242 CCCCOCCSCOCc1ccccc1 62a_100000743108_100000763385 [0,1,1,0,0,0|2,0,0]=4 5278 B17R1.1242 CCCCOCCSCOCc1ccccc1 62a_100000763385_100000743108 [0,1,1,0,0,0|2,0,0]=4 5279 B17R1.1242 CCCCOCCSCSCc1ccccc1 62a_100000743108_200011217039 [0,1,1,0,0,0|2,0,0]=4 5280 B17R1.1242 CCCCOCCSCSCc1ccccc1 62a_200011217039_100000743108 [0,1,1,0,0,0|2,0,0]=4 5281 B17R1.1242 CCCCOCNCCCCc1ccccc1 2230a_100015280158_100011995733 [0,1,1,0,0,0|2,0,0]=4 5282 B17R1.1242 CCCCOCNCCCCc1ccccc1 34a_100015280158_100011995733 [0,1,1,0,0,0|2,0,0]=4 5283 B17R1.1242 CCCCOCOCCCCc1ccccc1 34a_100000703073_100011995733 [0,1,1,0,0,0|2,0,0]=4 5284 B17R1.1242 CCCCOCSCCCCc1ccccc1 62a_100000701786_100011995733 [0,1,1,0,0,0|2,0,0]=4 5285 B17R1.1242 CCCCOCSCCCCc1ccccc1 62a_100011995733_100000701786 [0,1,1,0,0,0|2,0,0]=4 5286 B17R1.1242 CCCCSCCCCCCc1ccccc1 62a_100000210211_100011218729 [0,1,1,0,0,0|1,0,0]=3 5287 B17R1.1242 CCCCSCCCCCCc1ccccc1 62a_100011218729_100000210210 [0,1,1,0,0,0|1,0,0]=3 5288 B17R1.1242 CCCCSCCCCCOc1ccccc1 62a_100000210211_200011777167 [0,1,1,0,0,0|2,0,0]=4 5289 B17R1.1242 CCCCSCCCCCOc1ccccc1 62a_200011777167_100000210210 [0,1,1,0,0,0|2,0,0]=4 5290 B17R1.1242 CCCCSCCCCOCc1ccccc1 62a_100000210211_100011219843 [0,1,1,0,0,0|2,0,0]=4 5291 B17R1.1242 CCCCSCCCCOCc1ccccc1 62a_100011219843_100000210210 [0,1,1,0,0,0|2,0,0]=4 5292 B17R1.1242 CCCCSCCNC/C=C/c1ccccc1 2230a_100025743550_100016265936 [0,1,1,0,0,0|1,0,1]=4 5293 B17R1.1242 CCCCSCCNCC#Cc1ccccc1 2230a_100025743550_100011352542 [0,1,1,0,0,0|1,0,1]=4 5294 B17R1.1242 CCCCSCCNCC=Cc1ccccc1 270004a_100025743550_100000210105 [0,1,1,0,0,0|1,0,1]=4 5295 B17R1.1242 CCCCSCCNCCCc1ccccc1 2230a_100025743550_100000211621 [0,1,1,0,0,0|1,0,0]=3 5296 B17R1.1242 CCCCSCCNCCOc1ccccc1 2230a_100025743550_100000184471 [0,1,1,0,0,0|1,0,0]=3 5297 B17R1.1242 CCCCSCCNCCOc1ccccc1 270004a_100025743550_100000758736 [0,1,1,0,0,0|1,0,0]=3 5298 B17R1.1242 CCCCSCCNCCSc1ccccc1 2230a_100025743550_100000246102 [0,1,1,0,0,0|1,0,0]=3 5299 B17R1.1242 CCCCSCCNCOCc1ccccc1 2230a_100025743550_100000763385 [0,1,1,0,0,0|1,0,0]=3 5300 B17R1.1242 CCCCSCCNCSCc1ccccc1 2230a_100025743550_200011217039 [0,1,1,0,0,0|1,0,0]=3 5301 B17R1.1242 CCCCSCCOCCCc1ccccc1 34a_200000230436_100000211621 [0,1,1,0,0,0|2,0,0]=4 5302 B17R1.1242 CCCCSCCOCCCc1ccccc1 7a_200000230436_100000211621 [0,1,1,0,0,0|2,0,0]=4 5303 B17R1.1242 CCCCSCCOCCOc1ccccc1 34a_200000230436_100000184471 [0,1,1,0,0,0|2,0,0]=4 5304 B17R1.1242 CCCCSCCOCCOc1ccccc1 7a_200000230436_100000184471 [0,1,1,0,0,0|2,0,0]=4 5305 B17R1.1242 CCCCSCCOCCSc1ccccc1 34a_200000230436_100000246102 [0,1,1,0,0,0|2,0,0]=4 5306 B17R1.1242 CCCCSCCOCCSc1ccccc1 7a_200000230436_100000246102 [0,1,1,0,0,0|2,0,0]=4 5307 B17R1.1242 CCCCSCCOCOCc1ccccc1 34a_200000230436_100000763385 [0,1,1,0,0,0|2,0,0]=4 5308 B17R1.1242 CCCCSCCOCSCc1ccccc1 34a_200000230436_200011217039 [0,1,1,0,0,0|2,0,0]=4 5309 B17R1.1242 CCCOCCCCCCCc1ccccc1 34a_100000042756_100000210303 [0,1,1,0,0,0|1,0,0]=3 5310 B17R1.1242 CCCOCCCCCCCc1ccccc1 34a_100000210258_200009813472 [0,1,1,0,0,0|1,0,0]=3 5311 B17R1.1242 CCCOCCCCCCCc1ccccc1 7a_100000042756_100000210303 [0,1,1,0,0,0|1,0,0]=3 5312 B17R1.1242 CCCOCCCCCCOc1ccccc1 34a_100000210258_200012047174 [0,1,1,0,0,0|2,0,0]=4 5313 B17R1.1242 CCCOCCCCCNCc1ccccc1 34a_100011629535_100000210303 [0,1,1,0,0,0|2,0,0]=4 5314 B17R1.1242 CCCOCCCCCOCc1ccccc1 34a_100000210258_100012032903 [0,1,1,0,0,0|2,0,0]=4 5315 B17R1.1242 CCCOCCCCCOCc1ccccc1 34a_100011215045_100000210303 [0,1,1,0,0,0|2,0,0]=4 5316 B17R1.1242 CCCOCCCCCOCc1ccccc1 7a_100011215045_100000210303 [0,1,1,0,0,0|2,0,0]=4 5317 B17R1.1242 CCCOCCCNC/C=C/c1ccccc1 2230a_100011217757_100016265936 [0,1,1,0,0,0|1,0,1]=4 5318 B17R1.1242 CCCOCCCNC/C=C/c1ccccc1 34a_100011217757_100016265936 [0,1,1,0,0,0|1,0,1]=4 5319 B17R1.1242 CCCOCCCNC/C=C/c1ccccc1 34a_100020603576_100000210303 [0,1,1,0,0,0|1,0,1]=4 5320 B17R1.1242 CCCOCCCNCC#Cc1ccccc1 2230a_100011217757_100011352542 [0,1,1,0,0,0|1,0,1]=4 5321 B17R1.1242 CCCOCCCNCC#Cc1ccccc1 34a_100011217757_100011352542 [0,1,1,0,0,0|1,0,1]=4 5322 B17R1.1242 CCCOCCCNCC=Cc1ccccc1 270004a_100011217757_100000210105 [0,1,1,0,0,0|1,0,1]=4 5323 B17R1.1242 CCCOCCCNCCCc1ccccc1 2230a_100011217757_100000211621 [0,1,1,0,0,0|1,0,0]=3 5324 B17R1.1242 CCCOCCCNCCCc1ccccc1 34a_100011217757_100000211621 [0,1,1,0,0,0|1,0,0]=3 5325 B17R1.1242 CCCOCCCNCCOc1ccccc1 2230a_100011217757_100000184471 [0,1,1,0,0,0|1,0,0]=3 5326 B17R1.1242 CCCOCCCNCCOc1ccccc1 270004a_100011217757_100000758736 [0,1,1,0,0,0|1,0,0]=3 5327 B17R1.1242 CCCOCCCNCCOc1ccccc1 34a_100011217757_100000184471 [0,1,1,0,0,0|1,0,0]=3 5328 B17R1.1242 CCCOCCCNCCSc1ccccc1 2230a_100011217757_100000246102 [0,1,1,0,0,0|1,0,0]=3 5329 B17R1.1242 CCCOCCCNCCSc1ccccc1 34a_100011217757_100000246102 [0,1,1,0,0,0|1,0,0]=3 5330 B17R1.1242 CCCOCCCNCOCc1ccccc1 2230a_100011217757_100000763385 [0,1,1,0,0,0|1,0,0]=3 5331 B17R1.1242 CCCOCCCNCOCc1ccccc1 34a_100011217757_100000763385 [0,1,1,0,0,0|1,0,0]=3 5332 B17R1.1242 CCCOCCCNCSCc1ccccc1 2230a_100011217757_200011217039 [0,1,1,0,0,0|1,0,0]=3 5333 B17R1.1242 CCCOCCCNCSCc1ccccc1 34a_100011217757_200011217039 [0,1,1,0,0,0|1,0,0]=3 5334 B17R1.1242 CCCOCCNCCCCc1ccccc1 2230a_100015280158_100011215938 [0,1,1,0,0,0|2,0,0]=4 5335 B17R1.1242 CCCOCCNCCCCc1ccccc1 2230a_100161115042_100000701786 [0,1,1,0,0,0|2,0,0]=4 5336 B17R1.1242 CCCOCCNCCCCc1ccccc1 34a_100015280158_100011215938 [0,1,1,0,0,0|2,0,0]=4 5337 B17R1.1242 CCCOCCNCCCCc1ccccc1 34a_100161115042_100000701786 [0,1,1,0,0,0|2,0,0]=4 5338 B17R1.1242 CCCOCCOCCCCc1ccccc1 34a_100000703073_100011215938 [0,1,1,0,0,0|2,0,0]=4 5339 B17R1.1242 CCCOCCOCCCCc1ccccc1 34a_100000752267_100000701786 [0,1,1,0,0,0|2,0,0]=4 5340 B17R1.1242 CCCOCCOCCCCc1ccccc1 7a_100000703073_100011215938 [0,1,1,0,0,0|2,0,0]=4 5341 B17R1.1242 CCCOCCOCCCCc1ccccc1 7a_100000752267_100000701786 [0,1,1,0,0,0|2,0,0]=4 5342 B17R1.1242 CCCOCCSCCCCc1ccccc1 62a_100000701786_100011215938 [0,1,1,0,0,0|2,0,0]=4 5343 B17R1.1242 CCCOCCSCCCCc1ccccc1 62a_100011215938_100000701786 [0,1,1,0,0,0|2,0,0]=4 5344 B17R1.1242 CCCSCCCCCCCc1ccccc1 62a_100000210303_200009813472 [0,1,1,0,0,0|1,0,0]=3 5345 B17R1.1242 CCCSCCCCCCOc1ccccc1 62a_100000210303_200012047174 [0,1,1,0,0,0|2,0,0]=4 5346 B17R1.1242 CCCSCCCCCOCc1ccccc1 62a_100000210303_100012032903 [0,1,1,0,0,0|2,0,0]=4 5347 B17R1.1242 CCCSCCCCCOCc1ccccc1 62a_100012032903_100000210303 [0,1,1,0,0,0|2,0,0]=4 5348 B17R1.1242 CCCSCCNCCCCc1ccccc1 2230a_100020603323_100000701786 [0,1,1,0,0,0|2,0,0]=4 5349 B17R1.1242 CCCSCCOCCCCc1ccccc1 34a_200000230433_100000701786 [0,1,1,0,0,0|2,0,0]=4 5350 B17R1.1242 CCCSCCOCCCCc1ccccc1 7a_200000230433_100000701786 [0,1,1,0,0,0|2,0,0]=4 5351 B17R1.1242 CCNCCCCCCCCc1ccccc1 2230a_100015525214_100009814296 [0,1,1,0,0,0|1,0,0]=3 5352 B17R1.1242 CCNCCCCCCOCc1ccccc1 2230a_100015525214_100012047231 [0,1,1,0,0,0|2,0,0]=4 5353 B17R1.1242 CCOCCCCCCCCc1ccccc1 34a_100000033958_100000210202 [0,1,1,0,0,0|1,0,0]=3 5354 B17R1.1242 CCOCCCCCCCCc1ccccc1 34a_100121572206_100009814296 [0,1,1,0,0,0|1,0,0]=3 5355 B17R1.1242 CCOCCCCCCCCc1ccccc1 7a_100000033958_100000210202 [0,1,1,0,0,0|1,0,0]=3 5356 B17R1.1242 CCOCCCCCCNCc1ccccc1 34a_100011934884_100000210202 [0,1,1,0,0,0|2,0,0]=4 5357 B17R1.1242 CCOCCCCCCOCc1ccccc1 34a_100014105819_100000210202 [0,1,1,0,0,0|2,0,0]=4 5358 B17R1.1242 CCOCCCCCCOCc1ccccc1 34a_100121572206_100012047231 [0,1,1,0,0,0|2,0,0]=4 5359 B17R1.1242 CCOCCCCCCOCc1ccccc1 7a_100014105819_100000210202 [0,1,1,0,0,0|2,0,0]=4 5360 B17R1.1242 CCOCCCNCCCCc1ccccc1 2230a_100000210961_100000701786 [0,1,1,0,0,0|2,0,0]=4 5361 B17R1.1242 CCOCCCNCCCCc1ccccc1 2230a_100015280158_100012232248 [0,1,1,0,0,0|2,0,0]=4 5362 B17R1.1242 CCOCCCNCCCCc1ccccc1 34a_100000210961_100000701786 [0,1,1,0,0,0|2,0,0]=4 5363 B17R1.1242 CCOCCCNCCCCc1ccccc1 34a_100015280158_100012232248 [0,1,1,0,0,0|2,0,0]=4 5364 B17R1.1242 CCOCCCOCCCCc1ccccc1 34a_100000703073_100012232248 [0,1,1,0,0,0|2,0,0]=4 5365 B17R1.1242 CCOCCCOCCCCc1ccccc1 34a_100000757476_100000701786 [0,1,1,0,0,0|2,0,0]=4 5366 B17R1.1242 CCOCCCOCCCCc1ccccc1 7a_100000703073_100012232248 [0,1,1,0,0,0|2,0,0]=4 5367 B17R1.1242 CCOCCCOCCCCc1ccccc1 7a_100000757476_100000701786 [0,1,1,0,0,0|2,0,0]=4 5368 B17R1.1242 CCOCCCSCCCCc1ccccc1 62a_100000701786_100012232248 [0,1,1,0,0,0|2,0,0]=4 5369 B17R1.1242 CCOCCCSCCCCc1ccccc1 62a_100012232248_100000701786 [0,1,1,0,0,0|2,0,0]=4 5370 B17R1.1242 CCOCCNCCCCCc1ccccc1 2230a_100000750932_100011215890 [0,1,1,0,0,0|2,0,0]=4 5371 B17R1.1242 CCOCCNCCCCCc1ccccc1 2230a_102516460346_200011217138 [0,1,1,0,0,0|2,0,0]=4 5372 B17R1.1242 CCOCCNCCCCCc1ccccc1 34a_100000750932_100000210147 [0,1,1,0,0,0|2,0,0]=4 5373 B17R1.1242 CCOCCNCCCCCc1ccccc1 34a_102516460346_200011217138 [0,1,1,0,0,0|2,0,0]=4 5374 B17R1.1242 CCOCCOCCCCCc1ccccc1 34a_100000210136_200011217138 [0,1,1,0,0,0|2,0,0]=4 5375 B17R1.1242 CCOCCOCCCCCc1ccccc1 34a_200011219639_100000210147 [0,1,1,0,0,0|2,0,0]=4 5376 B17R1.1242 CCOCCOCCCCCc1ccccc1 7a_100000210136_200011217138 [0,1,1,0,0,0|2,0,0]=4 5377 B17R1.1242 CCOCCOCCCCCc1ccccc1 7a_200011219639_100011215890 [0,1,1,0,0,0|2,0,0]=4 5378 B17R1.1242 CCOCCOCCNCCc1ccccc1 2230a_100000106460_100011211534 [0,1,1,0,0,0|1,0,0]=3 5379 B17R1.1242 CCOCCOCCNCCc1ccccc1 2230a_100102712874_100000765856 [0,1,1,0,0,0|1,0,0]=3 5380 B17R1.1242 CCOCCOCCNCCc1ccccc1 34a_100000106460_100011211534 [0,1,1,0,0,0|1,0,0]=3 5381 B17R1.1242 CCOCCOCCNCCc1ccccc1 34a_100102712874_100000765856 [0,1,1,0,0,0|1,0,0]=3 5382 B17R1.1242 CCOCCOCCNCCc1ccccn1 2230a_100102712874_100015183660 [0,1,1,0,0,0|2,0,0]=4 5383 B17R1.1242 CCOCCOCCNCCc1cccnc1 2230a_100000736294_100011211534 [0,1,1,0,0,0|2,0,0]=4 5384 B17R1.1242 CCOCCOCCNCCc1cccnc1 2230a_100102712874_200011713674 [0,1,1,0,0,0|2,0,0]=4 5385 B17R1.1242 CCOCCOCCNCCc1ccncc1 2230a_100102712874_100000723409 [0,1,1,0,0,0|2,0,0]=4 5386 B17R1.1242 CCOCCOCCNCSc1ccccc1 2230a_100102712874_100011218342 [0,1,1,0,0,0|2,0,0]=4 5387 B17R1.1242 CCOCCOCCOCCc1ccccc1 34a_100000210240_100000765856 [0,1,1,0,0,0|2,0,0]=4 5388 B17R1.1242 CCOCCOCCOCCc1ccccc1 34a_100000210268_100011211534 [0,1,1,0,0,0|2,0,0]=4 5389 B17R1.1242 CCOCCOCCOCCc1ccccc1 7a_100000210240_100000765856 [0,1,1,0,0,0|2,0,0]=4 5390 B17R1.1242 CCOCCOCCOCCc1ccccc1 7a_100000210268_100011211534 [0,1,1,0,0,0|2,0,0]=4 5391 B17R1.1242 CCOCCOCCSCCc1ccccc1 62a_100000765856_100011211534 [0,1,1,0,0,0|2,0,0]=4 5392 B17R1.1242 CCOCCOCCSCCc1ccccc1 62a_100011211534_100011218657 [0,1,1,0,0,0|2,0,0]=4 5393 B17R1.1242 CCOCCSCCCCCc1ccccc1 62a_100000210147_200011217138 [0,1,1,0,0,0|2,0,0]=4 5394 B17R1.1242 CCOCCSCCCCCc1ccccc1 62a_200011217138_100011215890 [0,1,1,0,0,0|2,0,0]=4 5395 B17R1.1242 CCOCSCCCCCCc1ccccc1 62a_100000739092_100011218729 [0,1,1,0,0,0|2,0,0]=4 5396 B17R1.1242 CCOCSCCCCCCc1ccccc1 62a_100011218729_100000739092 [0,1,1,0,0,0|2,0,0]=4 5397 B17R1.1242 CCSCCCCCCCCc1ccccc1 62a_100000210202_100009814296 [0,1,1,0,0,0|1,0,0]=3 5398 B17R1.1242 CCSCCCCCCOCc1ccccc1 62a_100000210202_100012047231 [0,1,1,0,0,0|2,0,0]=4 5399 B17R1.1242 CCSCCCCCCOCc1ccccc1 62a_100012047231_100000210202 [0,1,1,0,0,0|2,0,0]=4 5400 B17R1.1242 CCSCCCOCCCCc1ccccc1 34a_100011216438_100000701786 [0,1,1,0,0,0|2,0,0]=4 5401 B17R1.1242 CCSCCCOCCCCc1ccccc1 7a_100011216438_100000701786 [0,1,1,0,0,0|2,0,0]=4 5402 B17R1.1242 CCSCCNCCCCCc1ccccc1 2230a_100000106463_200011217138 [0,1,1,0,0,0|2,0,0]=4 5403 B17R1.1242 CCSCCNCCCCCc1ccccc1 2230a_100000750932_100000757381 [0,1,1,0,0,0|2,0,0]=4 5404 B17R1.1242 CCSCCNCCCCCc1ccccc1 34a_100000750932_100000757381 [0,1,1,0,0,0|2,0,0]=4 5405 B17R1.1242 CCSCCOCCCCCc1ccccc1 34a_100000212035_200011217138 [0,1,1,0,0,0|2,0,0]=4 5406 B17R1.1242 CCSCCOCCCCCc1ccccc1 34a_200011219639_100000757381 [0,1,1,0,0,0|2,0,0]=4 5407 B17R1.1242 CCSCCOCCCCCc1ccccc1 7a_100000212035_200011217138 [0,1,1,0,0,0|2,0,0]=4 5408 B17R1.1242 CCSCCOCCCCCc1ccccc1 7a_200011219639_100000757381 [0,1,1,0,0,0|2,0,0]=4 5409 B17R1.1242 CCSCCSCCCCCc1ccccc1 62a_100000757381_200011217138 [0,1,1,0,0,0|2,0,0]=4 5410 B17R1.1242 CCSCCSCCCCCc1ccccc1 62a_200011217138_100000757381 [0,1,1,0,0,0|2,0,0]=4 5411 B17R1.1242 CNCCCCCCCOCc1ccccc1 2230a_106832991635_200160484810 [0,1,1,0,0,0|2,0,0]=4 5412 B17R1.1242 CNCCCCCCCOCc1ccccc1 34a_100102657272_200160484810 [0,1,1,0,0,0|2,0,0]=4 5413 B17R1.1242 CNCCCCCCCOCc1ccccc1 7a_106832991635_200160484810 [0,1,1,0,0,0|2,0,0]=4 5414 B17R1.1242 CNCCCCCOCCCc1ccccc1 34a_100000722520_100000211621 [0,1,1,0,0,0|2,0,0]=4 5415 B17R1.1242 CNCCCCCOCCOc1ccccc1 34a_100000722520_100000184471 [0,1,1,0,0,0|2,0,0]=4 5416 B17R1.1242 CNCCCCCOCCSc1ccccc1 34a_100000722520_100000246102 [0,1,1,0,0,0|2,0,0]=4 5417 B17R1.1242 CNCCCCCOCOCc1ccccc1 34a_100000722520_100000763385 [0,1,1,0,0,0|2,0,0]=4 5418 B17R1.1242 CNCCCCCOCSCc1ccccc1 34a_100000722520_200011217039 [0,1,1,0,0,0|2,0,0]=4 5419 B17R1.1242 CNCCCOCCCCCc1ccccc1 34a_100000213112_200011217138 [0,1,1,0,0,0|2,0,0]=4 5420 B17R1.1242 COCCCCCCCOCc1ccccc1 34a_100138415774_200160484810 [0,1,1,0,0,0|2,0,0]=4 5421 B17R1.1242 COCCCCCCNCCc1ccccc1 2230a_100000106460_100011998445 [0,1,1,0,0,0|0,0,0]=2 5422 B17R1.1242 COCCCCCCNCCc1ccccc1 34a_100000106460_100011998445 [0,1,1,0,0,0|0,0,0]=2 5423 B17R1.1242 COCCCCCCNCCc1cccnc1 2230a_100000736294_100011998445 [0,1,1,0,0,0|1,0,0]=3 5424 B17R1.1242 COCCCCCCOCCc1ccccc1 34a_100000210268_100011998445 [0,1,1,0,0,0|1,0,0]=3 5425 B17R1.1242 COCCCCCCOCCc1ccccc1 34a_200012092642_100000765856 [0,1,1,0,0,0|1,0,0]=3 5426 B17R1.1242 COCCCCCCOCCc1ccccc1 7a_100000210268_100011998445 [0,1,1,0,0,0|1,0,0]=3 5427 B17R1.1242 COCCCCCCOCCc1ccccc1 7a_200012092642_100000765856 [0,1,1,0,0,0|1,0,0]=3 5428 B17R1.1242 COCCCCCCOCCc1ccccn1 34a_100000210271_100011998445 [0,1,1,0,0,0|2,0,0]=4 5429 B17R1.1242 COCCCCCCOCCc1ccccn1 7a_200012092642_100015183660 [0,1,1,0,0,0|2,0,0]=4 5430 B17R1.1242 COCCCCCCOCCc1cccnc1 34a_100011217484_100011998445 [0,1,1,0,0,0|2,0,0]=4 5431 B17R1.1242 COCCCCCCOCCc1cccnc1 7a_200012092642_200011713674 [0,1,1,0,0,0|2,0,0]=4 5432 B17R1.1242 COCCCCCCOCCc1ccncc1 34a_100011216225_100011998445 [0,1,1,0,0,0|2,0,0]=4 5433 B17R1.1242 COCCCCCCOCCc1ccncc1 7a_200012092642_100000723409 [0,1,1,0,0,0|2,0,0]=4 5434 B17R1.1242 COCCCCCCSCCc1ccccc1 62a_100000765856_100011998445 [0,1,1,0,0,0|1,0,0]=3 5435 B17R1.1242 COCCCCCCSCCc1ccccc1 62a_100011998445_100011218657 [0,1,1,0,0,0|1,0,0]=3 5436 B17R1.1242 COCCCCCCSCCc1ccccn1 62a_100011998445_100015183660 [0,1,1,0,0,0|2,0,0]=4 5437 B17R1.1242 COCCCCCCSCCc1ccccn1 62a_100015183660_100011998445 [0,1,1,0,0,0|2,0,0]=4 5438 B17R1.1242 COCCCCCCSCCc1cccnc1 62a_100011998445_200011713674 [0,1,1,0,0,0|2,0,0]=4 5439 B17R1.1242 COCCCCCCSCCc1cccnc1 62a_200011713674_100011998445 [0,1,1,0,0,0|2,0,0]=4 5440 B17R1.1242 COCCCCCCSCCc1ccncc1 62a_100000723409_100011998445 [0,1,1,0,0,0|2,0,0]=4 5441 B17R1.1242 COCCCCCCSCCc1ccncc1 62a_100011998445_100000723409 [0,1,1,0,0,0|2,0,0]=4 5442 B17R1.1242 COCCCCCCSCSc1ccccc1 62a_100011218342_100011998445 [0,1,1,0,0,0|2,0,0]=4 5443 B17R1.1242 COCCCCCCSCSc1ccccc1 62a_100011998445_100011218342 [0,1,1,0,0,0|2,0,0]=4 5444 B17R1.1242 COCCCCCNC/C=C/c1ccccc1 2230a_100000747528_100016265936 [0,1,1,0,0,0|1,0,1]=4 5445 B17R1.1242 COCCCCCNC/C=C/c1ccccc1 34a_100000747528_100016265936 [0,1,1,0,0,0|1,0,1]=4 5446 B17R1.1242 COCCCCCNCC#Cc1ccccc1 2230a_100000747528_100011352542 [0,1,1,0,0,0|1,0,1]=4 5447 B17R1.1242 COCCCCCNCC#Cc1ccccc1 34a_100000747528_100011352542 [0,1,1,0,0,0|1,0,1]=4 5448 B17R1.1242 COCCCCCNCC=Cc1ccccc1 270004a_100000747528_100000210105 [0,1,1,0,0,0|1,0,1]=4 5449 B17R1.1242 COCCCCCNCCCc1ccccc1 2230a_100000747528_100000211621 [0,1,1,0,0,0|1,0,0]=3 5450 B17R1.1242 COCCCCCNCCCc1ccccc1 34a_100000747528_100000211621 [0,1,1,0,0,0|1,0,0]=3 5451 B17R1.1242 COCCCCCNCCOc1ccccc1 2230a_100000747528_100000184471 [0,1,1,0,0,0|1,0,0]=3 5452 B17R1.1242 COCCCCCNCCOc1ccccc1 270004a_100000747528_100000758736 [0,1,1,0,0,0|1,0,0]=3 5453 B17R1.1242 COCCCCCNCCOc1ccccc1 34a_100000747528_100000184471 [0,1,1,0,0,0|1,0,0]=3 5454 B17R1.1242 COCCCCCNCCSc1ccccc1 2230a_100000747528_100000246102 [0,1,1,0,0,0|1,0,0]=3 5455 B17R1.1242 COCCCCCNCCSc1ccccc1 34a_100000747528_100000246102 [0,1,1,0,0,0|1,0,0]=3 5456 B17R1.1242 COCCCCCNCOCc1ccccc1 2230a_100000747528_100000763385 [0,1,1,0,0,0|1,0,0]=3 5457 B17R1.1242 COCCCCCNCOCc1ccccc1 34a_100000747528_100000763385 [0,1,1,0,0,0|1,0,0]=3 5458 B17R1.1242 COCCCCCNCSCc1ccccc1 2230a_100000747528_200011217039 [0,1,1,0,0,0|1,0,0]=3 5459 B17R1.1242 COCCCCCNCSCc1ccccc1 34a_100000747528_200011217039 [0,1,1,0,0,0|1,0,0]=3 5460 B17R1.1242 COCCCCNCCCCc1ccccc1 2230a_100015280158_100000730899 [0,1,1,0,0,0|2,0,0]=4 5461 B17R1.1242 COCCCCNCCCCc1ccccc1 34a_100015280158_100000755781 [0,1,1,0,0,0|2,0,0]=4 5462 B17R1.1242 COCCCCOCCCCc1ccccc1 34a_100000703073_100000755781 [0,1,1,0,0,0|2,0,0]=4 5463 B17R1.1242 COCCCCOCCCCc1ccccc1 34a_100000740925_100000701786 [0,1,1,0,0,0|2,0,0]=4 5464 B17R1.1242 COCCCCOCCCCc1ccccc1 7a_100000703073_100000730899 [0,1,1,0,0,0|2,0,0]=4 5465 B17R1.1242 COCCCCSCCCCc1ccccc1 62a_100000701786_100000730899 [0,1,1,0,0,0|2,0,0]=4 5466 B17R1.1242 COCCCCSCCCCc1ccccc1 62a_100000730899_100000701786 [0,1,1,0,0,0|2,0,0]=4 5467 B17R1.1242 COCCCNCCCCCc1ccccc1 2230a_100000750932_100000740836 [0,1,1,0,0,0|2,0,0]=4 5468 B17R1.1242 COCCCNCCCCCc1ccccc1 34a_100000750932_100000740836 [0,1,1,0,0,0|2,0,0]=4 5469 B17R1.1242 COCCCNCCCCCc1ccccc1 34a_100150723488_200011217138 [0,1,1,0,0,0|2,0,0]=4 5470 B17R1.1242 COCCCOCCCCCc1ccccc1 34a_100000740835_200011217138 [0,1,1,0,0,0|2,0,0]=4 5471 B17R1.1242 COCCCOCCCCCc1ccccc1 34a_200011219639_100000740836 [0,1,1,0,0,0|2,0,0]=4 5472 B17R1.1242 COCCCOCCCCCc1ccccc1 7a_200011219639_100000740836 [0,1,1,0,0,0|2,0,0]=4 5473 B17R1.1242 COCCCSCCCCCc1ccccc1 62a_100000709357_200011217138 [0,1,1,0,0,0|2,0,0]=4 5474 B17R1.1242 COCCCSCCCCCc1ccccc1 62a_200011217138_100000709357 [0,1,1,0,0,0|2,0,0]=4 5475 B17R1.1242 COCCNCCCCCCc1ccccc1 2230a_100000209980_100011218729 [0,1,1,0,0,0|2,0,0]=4 5476 B17R1.1242 COCCOCCCCCCc1ccccc1 34a_100000210237_100011218729 [0,1,1,0,0,0|2,0,0]=4 5477 B17R1.1242 COCCOCCCCCCc1ccccc1 34a_100011215581_100011201679 [0,1,1,0,0,0|2,0,0]=4 5478 B17R1.1242 COCCOCCCCCCc1ccccc1 7a_100011215581_100000233755 [0,1,1,0,0,0|2,0,0]=4 5479 B17R1.1242 COCCOCCCNCCc1ccccc1 2230a_100000106460_100011216529 [0,1,1,0,0,0|1,0,0]=3 5480 B17R1.1242 COCCOCCCNCCc1ccccc1 2230a_100000206027_100000765856 [0,1,1,0,0,0|1,0,0]=3 5481 B17R1.1242 COCCOCCCNCCc1ccccc1 34a_100000106460_100011216529 [0,1,1,0,0,0|1,0,0]=3 5482 B17R1.1242 COCCOCCCNCCc1ccccc1 34a_100000206027_100000765856 [0,1,1,0,0,0|1,0,0]=3 5483 B17R1.1242 COCCOCCCNCCc1ccccn1 2230a_100000206027_100015183660 [0,1,1,0,0,0|2,0,0]=4 5484 B17R1.1242 COCCOCCCNCCc1cccnc1 2230a_100000206027_200011713674 [0,1,1,0,0,0|2,0,0]=4 5485 B17R1.1242 COCCOCCCNCCc1cccnc1 2230a_100000736294_100011216529 [0,1,1,0,0,0|2,0,0]=4 5486 B17R1.1242 COCCOCCCNCCc1ccncc1 2230a_100000206027_100000723409 [0,1,1,0,0,0|2,0,0]=4 5487 B17R1.1242 COCCOCCCNCSc1ccccc1 2230a_100000206027_100011218342 [0,1,1,0,0,0|2,0,0]=4 5488 B17R1.1242 COCCOCCCOCCc1ccccc1 34a_100000210268_100011216529 [0,1,1,0,0,0|2,0,0]=4 5489 B17R1.1242 COCCOCCCOCCc1ccccc1 7a_100000210268_100011216529 [0,1,1,0,0,0|2,0,0]=4 5490 B17R1.1242 COCCOCCCSCCc1ccccc1 62a_100000765856_100011216529 [0,1,1,0,0,0|2,0,0]=4 5491 B17R1.1242 COCCOCCCSCCc1ccccc1 62a_100011216529_100011218657 [0,1,1,0,0,0|2,0,0]=4 5492 B17R1.1242 COCCOCCNCCCc1ccccc1 2230a_100000211184_100000695917 [0,1,1,0,0,0|2,0,0]=4 5493 B17R1.1242 COCCOCCNCCCc1ccccc1 2230a_100000745349_100000211621 [0,1,1,0,0,0|2,0,0]=4 5494 B17R1.1242 COCCOCCNCCCc1ccccc1 34a_100000211184_100000695917 [0,1,1,0,0,0|2,0,0]=4 5495 B17R1.1242 COCCOCCNCCCc1ccccc1 34a_100000745349_100000211621 [0,1,1,0,0,0|2,0,0]=4 5496 B17R1.1242 COCCOCCNCCOc1ccccc1 2230a_100000174943_100000695917 [0,1,1,0,0,0|2,0,0]=4 5497 B17R1.1242 COCCOCCNCCOc1ccccc1 2230a_100000745349_100000184471 [0,1,1,0,0,0|2,0,0]=4 5498 B17R1.1242 COCCOCCNCCOc1ccccc1 270004a_100000745349_100000758736 [0,1,1,0,0,0|2,0,0]=4 5499 B17R1.1242 COCCOCCNCCOc1ccccc1 34a_100000174943_100000695917 [0,1,1,0,0,0|2,0,0]=4 5500 B17R1.1242 COCCOCCNCCOc1ccccc1 34a_100000745349_100000184471 [0,1,1,0,0,0|2,0,0]=4 5501 B17R1.1242 COCCOCCNCCSc1ccccc1 2230a_100000189519_100000695917 [0,1,1,0,0,0|2,0,0]=4 5502 B17R1.1242 COCCOCCNCCSc1ccccc1 2230a_100000745349_100000246102 [0,1,1,0,0,0|2,0,0]=4 5503 B17R1.1242 COCCOCCNCCSc1ccccc1 34a_100000745349_100000246102 [0,1,1,0,0,0|2,0,0]=4 5504 B17R1.1242 COCCOCCNCOCc1ccccc1 2230a_100000745349_100000763385 [0,1,1,0,0,0|2,0,0]=4 5505 B17R1.1242 COCCOCCNCOCc1ccccc1 34a_100000745349_100000763385 [0,1,1,0,0,0|2,0,0]=4 5506 B17R1.1242 COCCOCCNCSCc1ccccc1 2230a_100000745349_200011217039 [0,1,1,0,0,0|2,0,0]=4 5507 B17R1.1242 COCCOCCNCSCc1ccccc1 34a_100000745349_200011217039 [0,1,1,0,0,0|2,0,0]=4 5508 B17R1.1242 COCCSCCCCCCc1ccccc1 62a_100000233755_100011218729 [0,1,1,0,0,0|2,0,0]=4 5509 B17R1.1242 COCCSCCCCCCc1ccccc1 62a_100011218729_100000233755 [0,1,1,0,0,0|2,0,0]=4 5510 B17R1.1242 COCSCCCCCCCc1ccccc1 62a_100000766300_200009813472 [0,1,1,0,0,0|2,0,0]=4 5511 B17R1.1242 CSCCCCCCCOCc1ccccc1 62a_200000210301_200160484810 [0,1,1,0,0,0|2,0,0]=4 5512 B17R1.1242 CSCCCCCCCOCc1ccccc1 62a_200160484810_200000210301 [0,1,1,0,0,0|2,0,0]=4 5513 B17R1.1242 CSCCCCOCCCCc1ccccc1 34a_100011217163_100000701786 [0,1,1,0,0,0|2,0,0]=4 5514 B17R1.1242 CSCCCCOCCCCc1ccccc1 7a_100011217163_100000701786 [0,1,1,0,0,0|2,0,0]=4 5515 B17R1.1242 CSCCCNCCCCCc1ccccc1 2230a_100000749238_200011217138 [0,1,1,0,0,0|2,0,0]=4 5516 B17R1.1242 CSCCCOCCCCCc1ccccc1 34a_100000690336_200011217138 [0,1,1,0,0,0|2,0,0]=4 5517 B17R1.1242 CSCCCOCCCCCc1ccccc1 7a_100000690336_200011217138 [0,1,1,0,0,0|2,0,0]=4 5518 B17R1.1242 CSCCNCCCCCCc1ccccc1 2230a_100020590264_100011218729 [0,1,1,0,0,0|2,0,0]=4 5519 B17R1.1242 CSCCOCCCCCCc1ccccc1 34a_100000230434_100011218729 [0,1,1,0,0,0|2,0,0]=4 5520 B17R1.1242 CSCCOCCCCCCc1ccccc1 34a_100011215581_100000212216 [0,1,1,0,0,0|2,0,0]=4 5521 B17R1.1242 CSCCOCCCCCCc1ccccc1 7a_100000230434_100011218729 [0,1,1,0,0,0|2,0,0]=4 5522 B17R1.1242 CSCCOCCCCCCc1ccccc1 7a_100011215581_100000212216 [0,1,1,0,0,0|2,0,0]=4 5523 B17R1.1242 CSCCSCCCCCCc1ccccc1 62a_100000212216_100011218729 [0,1,1,0,0,0|2,0,0]=4 5524 B17R1.1242 CSCCSCCCCCCc1ccccc1 62a_100011218729_100000751147 [0,1,1,0,0,0|2,0,0]=4 5525 B17R1.1242 CSCOCCCCCCCc1ccccc1 34a_100000042756_100011218213 [0,1,1,0,0,0|2,0,0]=4 5526 B17R1.1242 CSCSCCCCCCCc1ccccc1 62a_100011218213_200009813472 [0,1,1,0,0,0|2,0,0]=4 5527 B17R1.1242 ClCCCCCCCCOCc1ccccc1 34a_100000033203_100015291786 [0,1,1,0,0,0|2,0,0]=4 5528 B17R1.1242 ClCCCCCCCCOCc1ccccc1 7a_100000033203_100000211182 [0,1,1,0,0,0|2,0,0]=4 5529 B17R1.1242 ClCCCCCCOCCCc1ccccc1 34a_100000766143_100000211621 [0,1,1,0,0,0|2,0,0]=4 5530 B17R1.1242 ClCCCCCCOCCCc1ccccc1 7a_100000766143_100000211621 [0,1,1,0,0,0|2,0,0]=4 5531 B17R1.1242 ClCCCCCCOCCOc1ccccc1 34a_100000766143_100000184471 [0,1,1,0,0,0|2,0,0]=4 5532 B17R1.1242 ClCCCCCCOCCOc1ccccc1 7a_100000766143_100000184471 [0,1,1,0,0,0|2,0,0]=4 5533 B17R1.1242 ClCCCCCCOCCSc1ccccc1 34a_100000766143_100000246102 [0,1,1,0,0,0|2,0,0]=4 5534 B17R1.1242 ClCCCCCCOCCSc1ccccc1 7a_100000766143_100000246102 [0,1,1,0,0,0|2,0,0]=4 5535 B17R1.1242 ClCCCCCCOCOCc1ccccc1 34a_100000766143_100000763385 [0,1,1,0,0,0|2,0,0]=4 5536 B17R1.1242 ClCCCCCCOCSCc1ccccc1 34a_100000766143_200011217039 [0,1,1,0,0,0|2,0,0]=4 5537 B17R1.1242 ClCCCCCOCCCCc1ccccc1 34a_100000746330_100000701786 [0,1,1,0,0,0|2,0,0]=4 5538 B17R1.1242 ClCCCCCOCCCCc1ccccc1 7a_100000746330_100000701786 [0,1,1,0,0,0|2,0,0]=4 5539 B17R1.1242 ClCCCCOCCCCCc1ccccc1 34a_100000210776_200011217138 [0,1,1,0,0,0|2,0,0]=4 5540 B17R1.1242 ClCCCCOCCCCCc1ccccc1 7a_100000210776_200011217138 [0,1,1,0,0,0|2,0,0]=4 5541 B17R1.1242 ClCCCOCCCCCCc1ccccc1 34a_100000230001_100011218729 [0,1,1,0,0,0|2,0,0]=4 5542 B17R1.1242 FCCCCCCNC/C=C/c1ccccc1 2230a_100020603302_100015922095 [0,1,1,0,0,0|1,0,1]=4 5543 B17R1.1242 FCCCCCCNC/C=C/c1ccccc1 34a_100020603302_100015922095 [0,1,1,0,0,0|1,0,1]=4 5544 B17R1.1242 FCCCCCCNCC#Cc1ccccc1 34a_100000735379_100015922095 [0,1,1,0,0,0|1,0,1]=4 5545 B17R1.1242 FCCCCCCNCCCc1ccccc1 2230a_100000211184_100015922095 [0,1,1,0,0,0|1,0,0]=3 5546 B17R1.1242 FCCCCCCNCCCc1ccccc1 34a_100000211184_100015922095 [0,1,1,0,0,0|1,0,0]=3 5547 B17R1.1242 FCCCCCCNCCCc1cccnc1 2230a_100011532358_100015922095 [0,1,1,0,0,0|2,0,0]=4 5548 B17R1.1242 FCCCCCCNCCCc1cccnc1 34a_100011532358_100015922095 [0,1,1,0,0,0|2,0,0]=4 5549 B17R1.1242 FCCCCCCNCCCc1ccncc1 2230a_100011275580_100015922095 [0,1,1,0,0,0|2,0,0]=4 5550 B17R1.1242 FCCCCCCNCCOc1ccccc1 2230a_100000174943_100015922095 [0,1,1,0,0,0|1,0,0]=3 5551 B17R1.1242 FCCCCCCNCCOc1ccccc1 34a_100000174943_100015922095 [0,1,1,0,0,0|1,0,0]=3 5552 B17R1.1242 FCCCCCCNCCOc1ccccn1 2230a_106741647558_100015922095 [0,1,1,0,0,0|2,0,0]=4 5553 B17R1.1242 FCCCCCCNCCOc1cccnc1 2230a_100000754688_100015922095 [0,1,1,0,0,0|2,0,0]=4 5554 B17R1.1242 FCCCCCCNCCSc1ccccc1 2230a_100000189519_100015922095 [0,1,1,0,0,0|1,0,0]=3 5555 B17R1.1242 FCCCCCCOCCCc1ccccc1 34a_100000210828_100015922095 [0,1,1,0,0,0|2,0,0]=4 5556 B17R1.1242 FCCCCCCOCCCc1ccccc1 34a_100000732779_100000211621 [0,1,1,0,0,0|2,0,0]=4 5557 B17R1.1242 FCCCCCCOCCCc1ccccc1 7a_100000210828_100015922095 [0,1,1,0,0,0|2,0,0]=4 5558 B17R1.1242 FCCCCCCOCCCc1ccccc1 7a_100000732779_100000211621 [0,1,1,0,0,0|2,0,0]=4 5559 B17R1.1242 FCCCCCCOCCNc1ccccc1 34a_100000211345_100015922095 [0,1,1,0,0,0|2,0,0]=4 5560 B17R1.1242 FCCCCCCOCCOc1ccccc1 34a_100000210260_100015922095 [0,1,1,0,0,0|2,0,0]=4 5561 B17R1.1242 FCCCCCCOCCOc1ccccc1 34a_100000732779_100000184471 [0,1,1,0,0,0|2,0,0]=4 5562 B17R1.1242 FCCCCCCOCCOc1ccccc1 7a_100000210260_100015922095 [0,1,1,0,0,0|2,0,0]=4 5563 B17R1.1242 FCCCCCCOCCOc1ccccc1 7a_100000732779_100000184471 [0,1,1,0,0,0|2,0,0]=4 5564 B17R1.1242 FCCCCCCOCCSc1ccccc1 34a_100000732779_100000246102 [0,1,1,0,0,0|2,0,0]=4 5565 B17R1.1242 FCCCCCCOCCSc1ccccc1 7a_100000230494_100015922095 [0,1,1,0,0,0|2,0,0]=4 5566 B17R1.1242 FCCCCCCOCCSc1ccccc1 7a_100000732779_100000246102 [0,1,1,0,0,0|2,0,0]=4 5567 B17R1.1242 FCCCCCCOCOCc1ccccc1 34a_100000732779_100000763385 [0,1,1,0,0,0|2,0,0]=4 5568 B17R1.1242 FCCCCCCOCSCc1ccccc1 34a_100000732779_200011217039 [0,1,1,0,0,0|2,0,0]=4 5569 B17R1.1242 FCCCCCCSCCCc1ccccc1 62a_100000211621_100015922095 [0,1,1,0,0,0|2,0,0]=4 5570 B17R1.1242 FCCCCCCSCCCc1ccccc1 62a_100015922095_100000211621 [0,1,1,0,0,0|2,0,0]=4 5571 B17R1.1242 FCCCCCCSCCOc1ccccc1 62a_100000184471_100015922095 [0,1,1,0,0,0|2,0,0]=4 5572 B17R1.1242 FCCCCCCSCCOc1ccccc1 62a_100015922095_100000184471 [0,1,1,0,0,0|2,0,0]=4 5573 B17R1.1242 FCCCCCCSCCSc1ccccc1 62a_100000246102_100015922095 [0,1,1,0,0,0|2,0,0]=4 5574 B17R1.1242 FCCCCCCSCCSc1ccccc1 62a_100015922095_100000246102 [0,1,1,0,0,0|2,0,0]=4 5575 B17R1.1242 FCCCCCCSCOCc1ccccc1 62a_100000763385_100015922095 [0,1,1,0,0,0|2,0,0]=4 5576 B17R1.1242 FCCCCCCSCOCc1ccccc1 62a_100015922095_100000763385 [0,1,1,0,0,0|2,0,0]=4 5577 B17R1.1242 FCCCCCCSCSCc1ccccc1 62a_100015922095_200011217039 [0,1,1,0,0,0|2,0,0]=4 5578 B17R1.1242 FCCCCCCSCSCc1ccccc1 62a_200011217039_100015922095 [0,1,1,0,0,0|2,0,0]=4 5579 B17R1.1242 FCCCCCNCCCCc1ccccc1 2230a_100015280158_100000729378 [0,1,1,0,0,0|2,0,0]=4 5580 B17R1.1242 FCCCCCNCCCCc1ccccc1 34a_100015280158_100000729378 [0,1,1,0,0,0|2,0,0]=4 5581 B17R1.1242 FCCCCCOCCCCc1ccccc1 34a_100000703073_100000729378 [0,1,1,0,0,0|2,0,0]=4 5582 B17R1.1242 FCCCCCOCCCCc1ccccc1 7a_100000703073_100000729378 [0,1,1,0,0,0|2,0,0]=4 5583 B17R1.1242 FCCCCCSCCCCc1ccccc1 62a_100000701786_100000729378 [0,1,1,0,0,0|2,0,0]=4 5584 B17R1.1242 FCCCCCSCCCCc1ccccc1 62a_100000729378_100000701786 [0,1,1,0,0,0|2,0,0]=4 5585 B17R1.1242 FCCCCNCCCCCc1ccccc1 2230a_100000750932_100000729493 [0,1,1,0,0,0|2,0,0]=4 5586 B17R1.1242 FCCCCNCCCCCc1ccccc1 34a_100000750932_100000729493 [0,1,1,0,0,0|2,0,0]=4 5587 B17R1.1242 FCCCCOCCCCCc1ccccc1 34a_100011995726_200011217138 [0,1,1,0,0,0|2,0,0]=4 5588 B17R1.1242 FCCCCOCCCCCc1ccccc1 34a_200011219639_100000729493 [0,1,1,0,0,0|2,0,0]=4 5589 B17R1.1242 FCCCCOCCCCCc1ccccc1 7a_100011995726_200011217138 [0,1,1,0,0,0|2,0,0]=4 5590 B17R1.1242 FCCCCOCCCCCc1ccccc1 7a_200011219639_100000729493 [0,1,1,0,0,0|2,0,0]=4 5591 B17R1.1242 FCCCCSCCCCCc1ccccc1 62a_100000729493_200011217138 [0,1,1,0,0,0|2,0,0]=4 5592 B17R1.1242 FCCCCSCCCCCc1ccccc1 62a_200011217138_100000729493 [0,1,1,0,0,0|2,0,0]=4 5593 B17R1.1242 FCCCNCCCCCCc1ccccc1 2230a_100015189416_100011218729 [0,1,1,0,0,0|2,0,0]=4 5594 B17R1.1242 FCCCNCCCCCCc1ccccc1 34a_100015189416_100011218729 [0,1,1,0,0,0|2,0,0]=4 5595 B17R1.1242 FCCCOCCCCCCc1ccccc1 34a_100000759539_100011218729 [0,1,1,0,0,0|2,0,0]=4 5596 B17R1.1242 FCCCOCCCCCCc1ccccc1 34a_100011215581_100011934791 [0,1,1,0,0,0|2,0,0]=4 5597 B17R1.1242 FCCCOCCCCCCc1ccccc1 7a_100011215581_100011934791 [0,1,1,0,0,0|2,0,0]=4 5598 B17R1.1242 FCCCSCCCCCCc1ccccc1 62a_100011218729_100011934791 [0,1,1,0,0,0|2,0,0]=4 5599 B17R1.1242 FCCCSCCCCCCc1ccccc1 62a_100011934791_100011218729 [0,1,1,0,0,0|2,0,0]=4 5600 B17R1.1242 FCCNCCCCCCCc1ccccc1 34a_100000724931_200009813472 [0,1,1,0,0,0|2,0,0]=4 5601 B17R1.1242 FCCOCCCCCCCc1ccccc1 34a_100000042756_100011217306 [0,1,1,0,0,0|2,0,0]=4 5602 B17R1.1242 FCCOCCCCCCCc1ccccc1 7a_100000042756_100011217306 [0,1,1,0,0,0|2,0,0]=4 5603 B17R1.1242 FCCSCCCCCCCc1ccccc1 62a_100011217306_200009813472 [0,1,1,0,0,0|2,0,0]=4 5604 B17R1.1242 FCOCCCCCCCCc1ccccc1 34a_100000033958_100015361967 [0,1,1,0,0,0|2,0,0]=4 5605 B17R1.1242 FCOCCCCCCCCc1ccccc1 7a_100000033958_100015361967 [0,1,1,0,0,0|2,0,0]=4 5606 B17R1.1242 FCSCCCCCCCCc1ccccc1 62a_100015361967_100009814296 [0,1,1,0,0,0|2,0,0]=4 5607 B17R1.1242 ICCCCCOCCCCc1ccccc1 34a_200012148887_100000701786 [0,1,1,0,0,0|2,0,0]=4 5608 B17R1.1242 ICCCCCOCCCCc1ccccc1 7a_200012148887_100000701786 [0,1,1,0,0,0|2,0,0]=4 5609 B17R1.1242 ICCCCOCCCCCc1ccccc1 34a_200012148704_200011217138 [0,1,1,0,0,0|2,0,0]=4 5610 B17R1.1242 N#CCCCCCCNCCc1ccccc1 2230a_100000106460_100009813337 [0,1,1,0,0,0|0,0,1]=3 5611 B17R1.1242 N#CCCCCCCNCCc1cccnc1 2230a_100000736294_100009813337 [0,1,1,0,0,0|1,0,1]=4 5612 B17R1.1242 N#CCCCCCCOCCc1ccccc1 7a_100000210268_100009813337 [0,1,1,0,0,0|1,0,1]=4 5613 B17R1.1242 N#CCCCCCCSCCc1ccccc1 62a_100000765856_100009813337 [0,1,1,0,0,0|1,0,1]=4 5614 B17R1.1242 N#CCCCCCCSCCc1ccccc1 62a_100009813337_100011218657 [0,1,1,0,0,0|1,0,1]=4 5615 B17R1.1242 N#CCCCCCNCCCc1ccccc1 2230a_100000211184_100009813376 [0,1,1,0,0,0|1,0,1]=4 5616 B17R1.1242 N#CCCCCCNCCOc1ccccc1 2230a_100000174943_100009813376 [0,1,1,0,0,0|1,0,1]=4 5617 B17R1.1242 N#CCCCCCNCCOc1ccccc1 270004a_100000061152_100000758736 [0,1,1,0,0,0|1,0,1]=4 5618 B17R1.1242 N#CCCCCCNCCSc1ccccc1 2230a_100000189519_100009813376 [0,1,1,0,0,0|1,0,1]=4 5619 B17R1.1242 NCCCCCCCCOCc1ccccc1 34a_102515433106_100015291786 [0,1,1,0,0,0|2,0,0]=4 5620 B17R1.1242 NCCCCCCCOCCc1ccccc1 34a_100011996573_100000765856 [0,1,1,0,0,0|1,0,0]=3 5621 B17R1.1242 NCCCCCCOCCCc1ccccc1 34a_100000686447_100000211621 [0,1,1,0,0,0|2,0,0]=4 5622 B17R1.1242 NCCCCCCOCCOc1ccccc1 34a_100000686447_100000184471 [0,1,1,0,0,0|2,0,0]=4 5623 B17R1.1242 NCCCCCCOCCSc1ccccc1 34a_100000686447_100000246102 [0,1,1,0,0,0|2,0,0]=4 5624 B17R1.1242 NCCCCCCOCOCc1ccccc1 34a_100000686447_100000763385 [0,1,1,0,0,0|2,0,0]=4 5625 B17R1.1242 NCCCCCCOCSCc1ccccc1 34a_100000686447_200011217039 [0,1,1,0,0,0|2,0,0]=4 5626 B17R1.1242 NCCCCCOCCCCc1ccccc1 34a_100000762737_100000701786 [0,1,1,0,0,0|2,0,0]=4 5627 B17R1.1242 NCCCCOCCCCCc1ccccc1 34a_100000750430_200011217138 [0,1,1,0,0,0|2,0,0]=4 5628 B17R1.1242 NCCCOCCCCCCc1ccccc1 34a_100000182051_100011218729 [0,1,1,0,0,0|2,0,0]=4 5629 B17R1.1242 NCCCOCCCOCCc1ccccc1 34a_100011310245_100000765856 [0,1,1,0,0,0|2,0,0]=4 5630 B17R1.1242 NCCOCCCCCCCc1ccccc1 34a_100000210304_200009813472 [0,1,1,0,0,0|2,0,0]=4 5631 B17R1.1242 O=CCCCCCNCCCc1ccccc1 2230a_100000211184_100000139337 [0,1,1,0,0,0|1,0,1]=4 5632 B17R1.1242 O=CCCCCCNCCOc1ccccc1 2230a_100000174943_100000139337 [0,1,1,0,0,0|1,0,1]=4 5633 B17R1.1242 O=CCCCCCNCCSc1ccccc1 2230a_100000189519_100000139337 [0,1,1,0,0,0|1,0,1]=4 5634 B17R1.1242 OCCCCCCCCCNc1ccccc1 34a_100000106764_100009813782 [0,1,1,0,0,0|2,0,0]=4 5635 B17R1.1242 OCCCCCCCCCOc1ccccc1 34a_100000210340_100009813782 [0,1,1,0,0,0|2,0,0]=4 5636 B17R1.1242 OCCCCCCCCCOc1ccccc1 7a_100000210340_100009813782 [0,1,1,0,0,0|2,0,0]=4 5637 B17R1.1242 OCCCCCCCCCSc1ccccc1 62a_100000719477_100009813782 [0,1,1,0,0,0|2,0,0]=4 5638 B17R1.1242 OCCCCCCCCCSc1ccccc1 62a_100009813782_100000041952 [0,1,1,0,0,0|2,0,0]=4 5639 B17R1.1242 OCCCCCCCCNCc1ccccc1 207a_102515433106_100015611070 [0,1,1,0,0,0|2,0,0]=4 5640 B17R1.1242 OCCCCCCCCNCc1ccccc1 2230a_100015324214_100000033203 [0,1,1,0,0,0|2,0,0]=4 5641 B17R1.1242 OCCCCCCCCNCc1ccccc1 2230a_102515433106_100015291786 [0,1,1,0,0,0|2,0,0]=4 5642 B17R1.1242 OCCCCCCCCNCc1ccccc1 270004a_102515433106_100015611070 [0,1,1,0,0,0|2,0,0]=4 5643 B17R1.1242 OCCCCCCCCNCc1ccccc1 34a_100015324214_100000033203 [0,1,1,0,0,0|2,0,0]=4 5644 B17R1.1242 OCCCCCCCCNCc1ccccc1 34a_102515433106_100015291786 [0,1,1,0,0,0|2,0,0]=4 5645 B17R1.1242 OCCCCCCCCOCc1ccccc1 34a_100000210790_100000033203 [0,1,1,0,0,0|2,0,0]=4 5646 B17R1.1242 OCCCCCCCCOCc1ccccc1 7a_100000210790_100000033203 [0,1,1,0,0,0|2,0,0]=4 5647 B17R1.1242 OCCCCCCCCSCc1ccccc1 62a_100000033203_100015291786 [0,1,1,0,0,0|2,0,0]=4 5648 B17R1.1242 OCCCCCCCCSCc1ccccc1 62a_100000211182_100000033203 [0,1,1,0,0,0|2,0,0]=4 5649 B17R1.1242 OCCCCCCCNCCc1ccccc1 2230a_100000106460_100000760002 [0,1,1,0,0,0|0,0,0]=2 5650 B17R1.1242 OCCCCCCCNCCc1ccccc1 2230a_100011996573_100000765856 [0,1,1,0,0,0|0,0,0]=2 5651 B17R1.1242 OCCCCCCCNCCc1ccccc1 34a_100000106460_100000760002 [0,1,1,0,0,0|0,0,0]=2 5652 B17R1.1242 OCCCCCCCNCCc1ccccc1 34a_100011996573_100000765856 [0,1,1,0,0,0|0,0,0]=2 5653 B17R1.1242 OCCCCCCCNCCc1ccccn1 2230a_100011996573_100015183660 [0,1,1,0,0,0|1,0,0]=3 5654 B17R1.1242 OCCCCCCCNCCc1cccnc1 2230a_100000736294_100000760002 [0,1,1,0,0,0|1,0,0]=3 5655 B17R1.1242 OCCCCCCCNCCc1cccnc1 2230a_100011996573_200011713674 [0,1,1,0,0,0|1,0,0]=3 5656 B17R1.1242 OCCCCCCCNCCc1ccncc1 2230a_100011996573_100000723409 [0,1,1,0,0,0|1,0,0]=3 5657 B17R1.1242 OCCCCCCCNCSc1ccccc1 2230a_100011996573_100011218342 [0,1,1,0,0,0|1,0,0]=3 5658 B17R1.1242 OCCCCCCCOCCc1ccccc1 34a_100000210268_100000760002 [0,1,1,0,0,0|1,0,0]=3 5659 B17R1.1242 OCCCCCCCOCCc1ccccc1 7a_100000210268_100000760002 [0,1,1,0,0,0|1,0,0]=3 5660 B17R1.1242 OCCCCCCCOCCc1ccccn1 34a_100000210271_100000760002 [0,1,1,0,0,0|2,0,0]=4 5661 B17R1.1242 OCCCCCCCOCCc1cccnc1 34a_100011217484_100000760002 [0,1,1,0,0,0|2,0,0]=4 5662 B17R1.1242 OCCCCCCCOCCc1ccncc1 34a_100011216225_100000760002 [0,1,1,0,0,0|2,0,0]=4 5663 B17R1.1242 OCCCCCCCSCCc1ccccc1 62a_100000760002_100011218657 [0,1,1,0,0,0|1,0,0]=3 5664 B17R1.1242 OCCCCCCCSCCc1ccccc1 62a_100000765856_100000760002 [0,1,1,0,0,0|1,0,0]=3 5665 B17R1.1242 OCCCCCCCSCCc1ccccn1 62a_100000760002_100015183660 [0,1,1,0,0,0|2,0,0]=4 5666 B17R1.1242 OCCCCCCCSCCc1ccccn1 62a_100015183660_100000760002 [0,1,1,0,0,0|2,0,0]=4 5667 B17R1.1242 OCCCCCCCSCCc1cccnc1 62a_100000760002_200011713674 [0,1,1,0,0,0|2,0,0]=4 5668 B17R1.1242 OCCCCCCCSCCc1cccnc1 62a_200011713674_100000760002 [0,1,1,0,0,0|2,0,0]=4 5669 B17R1.1242 OCCCCCCCSCCc1ccncc1 62a_100000723409_100000760002 [0,1,1,0,0,0|2,0,0]=4 5670 B17R1.1242 OCCCCCCCSCCc1ccncc1 62a_100000760002_100000723409 [0,1,1,0,0,0|2,0,0]=4 5671 B17R1.1242 OCCCCCCCSCSc1ccccc1 62a_100000760002_100011218342 [0,1,1,0,0,0|2,0,0]=4 5672 B17R1.1242 OCCCCCCCSCSc1ccccc1 62a_100011218342_100000760002 [0,1,1,0,0,0|2,0,0]=4 5673 B17R1.1242 OCCCCCCNC/C=C/c1ccccc1 2230a_100000686447_100016265936 [0,1,1,0,0,0|1,0,1]=4 5674 B17R1.1242 OCCCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000766143 [0,1,1,0,0,0|1,0,1]=4 5675 B17R1.1242 OCCCCCCNC/C=C/c1ccccc1 34a_100000686447_100016265936 [0,1,1,0,0,0|1,0,1]=4 5676 B17R1.1242 OCCCCCCNC/C=C/c1ccccc1 34a_100020603302_100000766143 [0,1,1,0,0,0|1,0,1]=4 5677 B17R1.1242 OCCCCCCNCC#Cc1ccccc1 2230a_100000686447_100011352542 [0,1,1,0,0,0|1,0,1]=4 5678 B17R1.1242 OCCCCCCNCC#Cc1ccccc1 34a_100000686447_100011352542 [0,1,1,0,0,0|1,0,1]=4 5679 B17R1.1242 OCCCCCCNCC#Cc1ccccc1 34a_100000735379_100000766143 [0,1,1,0,0,0|1,0,1]=4 5680 B17R1.1242 OCCCCCCNCC=Cc1ccccc1 270004a_100000686447_100000210105 [0,1,1,0,0,0|1,0,1]=4 5681 B17R1.1242 OCCCCCCNCCCc1ccccc1 2230a_100000211184_100000766143 [0,1,1,0,0,0|1,0,0]=3 5682 B17R1.1242 OCCCCCCNCCCc1ccccc1 2230a_100000686447_100000211621 [0,1,1,0,0,0|1,0,0]=3 5683 B17R1.1242 OCCCCCCNCCCc1ccccc1 34a_100000211184_100000766143 [0,1,1,0,0,0|1,0,0]=3 5684 B17R1.1242 OCCCCCCNCCCc1ccccc1 34a_100000686447_100000211621 [0,1,1,0,0,0|1,0,0]=3 5685 B17R1.1242 OCCCCCCNCCCc1cccnc1 2230a_100011532358_100000766143 [0,1,1,0,0,0|2,0,0]=4 5686 B17R1.1242 OCCCCCCNCCCc1cccnc1 34a_100011532358_100000766143 [0,1,1,0,0,0|2,0,0]=4 5687 B17R1.1242 OCCCCCCNCCCc1ccncc1 2230a_100011275580_100000766143 [0,1,1,0,0,0|2,0,0]=4 5688 B17R1.1242 OCCCCCCNCCOc1ccccc1 2230a_100000174943_100000766143 [0,1,1,0,0,0|1,0,0]=3 5689 B17R1.1242 OCCCCCCNCCOc1ccccc1 2230a_100000686447_100000184471 [0,1,1,0,0,0|1,0,0]=3 5690 B17R1.1242 OCCCCCCNCCOc1ccccc1 270004a_100000686447_100000758736 [0,1,1,0,0,0|1,0,0]=3 5691 B17R1.1242 OCCCCCCNCCOc1ccccc1 34a_100000174943_100000766143 [0,1,1,0,0,0|1,0,0]=3 5692 B17R1.1242 OCCCCCCNCCOc1ccccc1 34a_100000686447_100000184471 [0,1,1,0,0,0|1,0,0]=3 5693 B17R1.1242 OCCCCCCNCCOc1ccccn1 2230a_106741647558_100000766143 [0,1,1,0,0,0|2,0,0]=4 5694 B17R1.1242 OCCCCCCNCCOc1cccnc1 2230a_100000754688_100000766143 [0,1,1,0,0,0|2,0,0]=4 5695 B17R1.1242 OCCCCCCNCCSc1ccccc1 2230a_100000189519_100000766143 [0,1,1,0,0,0|1,0,0]=3 5696 B17R1.1242 OCCCCCCNCCSc1ccccc1 2230a_100000686447_100000246102 [0,1,1,0,0,0|1,0,0]=3 5697 B17R1.1242 OCCCCCCNCCSc1ccccc1 34a_100000686447_100000246102 [0,1,1,0,0,0|1,0,0]=3 5698 B17R1.1242 OCCCCCCNCOCc1ccccc1 2230a_100000686447_100000763385 [0,1,1,0,0,0|1,0,0]=3 5699 B17R1.1242 OCCCCCCNCOCc1ccccc1 34a_100000686447_100000763385 [0,1,1,0,0,0|1,0,0]=3 5700 B17R1.1242 OCCCCCCNCSCc1ccccc1 2230a_100000686447_200011217039 [0,1,1,0,0,0|1,0,0]=3 5701 B17R1.1242 OCCCCCCNCSCc1ccccc1 34a_100000686447_200011217039 [0,1,1,0,0,0|1,0,0]=3 5702 B17R1.1242 OCCCCCCOCCCc1ccccc1 34a_100000210828_100000766143 [0,1,1,0,0,0|2,0,0]=4 5703 B17R1.1242 OCCCCCCOCCCc1ccccc1 7a_100000210828_100000766143 [0,1,1,0,0,0|2,0,0]=4 5704 B17R1.1242 OCCCCCCOCCNc1ccccc1 34a_100000211345_100000766143 [0,1,1,0,0,0|2,0,0]=4 5705 B17R1.1242 OCCCCCCOCCOc1ccccc1 34a_100000210260_100000766143 [0,1,1,0,0,0|2,0,0]=4 5706 B17R1.1242 OCCCCCCOCCOc1ccccc1 7a_100000210260_100000766143 [0,1,1,0,0,0|2,0,0]=4 5707 B17R1.1242 OCCCCCCOCCSc1ccccc1 7a_100000230494_100000766143 [0,1,1,0,0,0|2,0,0]=4 5708 B17R1.1242 OCCCCCCSCCCc1ccccc1 62a_100000211621_100000766143 [0,1,1,0,0,0|2,0,0]=4 5709 B17R1.1242 OCCCCCCSCCCc1ccccc1 62a_100000766143_100000211621 [0,1,1,0,0,0|2,0,0]=4 5710 B17R1.1242 OCCCCCCSCCOc1ccccc1 62a_100000184471_100000766143 [0,1,1,0,0,0|2,0,0]=4 5711 B17R1.1242 OCCCCCCSCCOc1ccccc1 62a_100000766143_100000184471 [0,1,1,0,0,0|2,0,0]=4 5712 B17R1.1242 OCCCCCCSCCSc1ccccc1 62a_100000246102_100000766143 [0,1,1,0,0,0|2,0,0]=4 5713 B17R1.1242 OCCCCCCSCCSc1ccccc1 62a_100000766143_100000246102 [0,1,1,0,0,0|2,0,0]=4 5714 B17R1.1242 OCCCCCCSCOCc1ccccc1 62a_100000763385_100000766143 [0,1,1,0,0,0|2,0,0]=4 5715 B17R1.1242 OCCCCCCSCOCc1ccccc1 62a_100000766143_100000763385 [0,1,1,0,0,0|2,0,0]=4 5716 B17R1.1242 OCCCCCCSCSCc1ccccc1 62a_100000766143_200011217039 [0,1,1,0,0,0|2,0,0]=4 5717 B17R1.1242 OCCCCCCSCSCc1ccccc1 62a_200011217039_100000766143 [0,1,1,0,0,0|2,0,0]=4 5718 B17R1.1242 OCCCCCNCCCCc1ccccc1 2230a_100000762737_100000701786 [0,1,1,0,0,0|2,0,0]=4 5719 B17R1.1242 OCCCCCNCCCCc1ccccc1 2230a_100015280158_100000746330 [0,1,1,0,0,0|2,0,0]=4 5720 B17R1.1242 OCCCCCNCCCCc1ccccc1 34a_100000762737_100000701786 [0,1,1,0,0,0|2,0,0]=4 5721 B17R1.1242 OCCCCCNCCCCc1ccccc1 34a_100015280158_100000746330 [0,1,1,0,0,0|2,0,0]=4 5722 B17R1.1242 OCCCCCOCCCCc1ccccc1 34a_100000703073_100000746330 [0,1,1,0,0,0|2,0,0]=4 5723 B17R1.1242 OCCCCCOCCCCc1ccccc1 7a_100000703073_100000746330 [0,1,1,0,0,0|2,0,0]=4 5724 B17R1.1242 OCCCCCSCCCCc1ccccc1 62a_100000701786_100000746330 [0,1,1,0,0,0|2,0,0]=4 5725 B17R1.1242 OCCCCCSCCCCc1ccccc1 62a_100000746330_100000701786 [0,1,1,0,0,0|2,0,0]=4 5726 B17R1.1242 OCCCCNCCCCCc1ccccc1 2230a_100000750430_200011217138 [0,1,1,0,0,0|2,0,0]=4 5727 B17R1.1242 OCCCCNCCCCCc1ccccc1 2230a_100000750932_100000210776 [0,1,1,0,0,0|2,0,0]=4 5728 B17R1.1242 OCCCCNCCCCCc1ccccc1 34a_100000750430_200011217138 [0,1,1,0,0,0|2,0,0]=4 5729 B17R1.1242 OCCCCNCCCCCc1ccccc1 34a_100000750932_100011216708 [0,1,1,0,0,0|2,0,0]=4 5730 B17R1.1242 OCCCCOCCCCCc1ccccc1 34a_200011219639_100011216708 [0,1,1,0,0,0|2,0,0]=4 5731 B17R1.1242 OCCCCOCCCCCc1ccccc1 7a_200011219639_100000210776 [0,1,1,0,0,0|2,0,0]=4 5732 B17R1.1242 OCCCCSCCCCCc1ccccc1 62a_100000210776_200011217138 [0,1,1,0,0,0|2,0,0]=4 5733 B17R1.1242 OCCCCSCCCCCc1ccccc1 62a_200011217138_100000210776 [0,1,1,0,0,0|2,0,0]=4 5734 B17R1.1242 OCCCOCCCCCCc1ccccc1 34a_100011215581_100000230001 [0,1,1,0,0,0|2,0,0]=4 5735 B17R1.1242 OCCCOCCCCCCc1ccccc1 7a_100011215581_100011215043 [0,1,1,0,0,0|2,0,0]=4 5736 B17R1.1242 OCCCOCCCNCCc1ccccc1 2230a_100011310245_100000765856 [0,1,1,0,0,0|1,0,0]=3 5737 B17R1.1242 OCCCOCCCNCCc1ccccc1 34a_100011310245_100000765856 [0,1,1,0,0,0|1,0,0]=3 5738 B17R1.1242 OCCCOCCCNCCc1ccccn1 2230a_100011310245_100015183660 [0,1,1,0,0,0|2,0,0]=4 5739 B17R1.1242 OCCCOCCCNCCc1cccnc1 2230a_100011310245_200011713674 [0,1,1,0,0,0|2,0,0]=4 5740 B17R1.1242 OCCCOCCCNCCc1ccncc1 2230a_100011310245_100000723409 [0,1,1,0,0,0|2,0,0]=4 5741 B17R1.1242 OCCCOCCCNCSc1ccccc1 2230a_100011310245_100011218342 [0,1,1,0,0,0|2,0,0]=4 5742 B17R1.1242 OCCCSCCCCCCc1ccccc1 62a_100011215043_100011218729 [0,1,1,0,0,0|2,0,0]=4 5743 B17R1.1242 OCCCSCCCCCCc1ccccc1 62a_100011218729_100011215043 [0,1,1,0,0,0|2,0,0]=4 5744 B17R1.1242 OCCNCCCCCCCc1ccccc1 2230a_100016997473_200009813472 [0,1,1,0,0,0|2,0,0]=4 5745 B17R1.1242 OCCNCCCCCCCc1ccccc1 34a_100016990907_200009813472 [0,1,1,0,0,0|2,0,0]=4 5746 B17R1.1242 OCCOCCCCCCCc1ccccc1 34a_100000042756_100000211926 [0,1,1,0,0,0|2,0,0]=4 5747 B17R1.1242 OCCOCCCCCCCc1ccccc1 7a_100000042756_100000211926 [0,1,1,0,0,0|2,0,0]=4 5748 B17R1.1242 OCCSCCCCCCCc1ccccc1 62a_100000211926_200009813472 [0,1,1,0,0,0|2,0,0]=4 5749 B17R1.1242 [13CH3]SCCCCCCCOCc1ccccc1 62a_200025704644_200160484810 [0,1,1,0,0,0|2,0,0]=4 5750 B17R1.1242 [13CH3]SCCCCCCCOCc1ccccc1 62a_200160484810_200025704644 [0,1,1,0,0,0|2,0,0]=4 5751 B17R1.1287 C#CCCCCCN(C)CCc1ccccc1 2230a_100000207497_100012094781 [0,1,1,0,0,0|0,0,2]=4 5752 B17R1.1287 C#CCCCCCN(C)CCc1ccccc1 269982a_100000207497_100012094781 [0,1,1,0,0,0|0,0,2]=4 5753 B17R1.1287 C=CCCCCCN(C)CCc1ccccc1 2230a_100000207497_100000700193 [0,1,1,0,0,0|0,0,2]=4 5754 B17R1.1287 C=CCCCCCN(C)CCc1ccccc1 269982a_100000207497_100000700193 [0,1,1,0,0,0|0,0,2]=4 5755 B17R1.1287 CCCCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210614 [0,1,1,0,0,0|1,0,0]=3 5756 B17R1.1287 CCCCCCCC(=O)CCc1ccccc1 1458a_100000211969_100000765856 [0,1,1,0,0,0|1,0,0]=3 5757 B17R1.1287 CCCCCCCC(=O)CCc1ccccn1 1458a_100000211969_100015183660 [0,1,1,0,0,0|2,0,0]=4 5758 B17R1.1287 CCCCCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210614 [0,1,1,0,0,0|2,0,0]=4 5759 B17R1.1287 CCCCCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210614 [0,1,1,0,0,0|2,0,0]=4 5760 B17R1.1287 CCCCCCCC(=O)CCc1cccnc1 1458a_100000211969_200011713674 [0,1,1,0,0,0|2,0,0]=4 5761 B17R1.1287 CCCCCCCC(=O)CCc1ccncc1 1458a_100000211969_100000723409 [0,1,1,0,0,0|2,0,0]=4 5762 B17R1.1287 CCCCCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210614 [0,1,1,0,0,0|2,0,0]=4 5763 B17R1.1287 CCCCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210614 [0,1,1,0,0,0|2,0,0]=4 5764 B17R1.1287 CCCCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210614 [0,1,1,0,0,0|2,0,0]=4 5765 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 11a_100015324214_100000211969 [0,1,1,0,0,0|2,0,0]=4 5766 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 1626a_100015324214_100000211969 [0,1,1,0,0,0|2,0,0]=4 5767 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 240690a_100015324214_100000211969 [0,1,1,0,0,0|2,0,0]=4 5768 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 527a_100015324214_100000211969 [0,1,1,0,0,0|2,0,0]=4 5769 B17R1.1287 CCCCCCCC(C)NCc1ccccc1 2230a_100015324214_200011218727 [0,1,1,0,0,0|2,0,0]=4 5770 B17R1.1287 CCCCCCCC(C)NCc1ccccc1 270004a_100015324214_100000210596 [0,1,1,0,0,0|2,0,0]=4 5771 B17R1.1287 CCCCCCCC(C)NCc1ccccc1 34a_100015324214_200011218727 [0,1,1,0,0,0|2,0,0]=4 5772 B17R1.1287 CCCCCCCC(C)OCc1ccccc1 34a_100000210790_200011218727 [0,1,1,0,0,0|2,0,0]=4 5773 B17R1.1287 CCCCCCCC(C)OCc1ccccc1 34a_200011215852_100015291786 [0,1,1,0,0,0|2,0,0]=4 5774 B17R1.1287 CCCCCCCC(C)OCc1ccccc1 7a_100000210790_200011218727 [0,1,1,0,0,0|2,0,0]=4 5775 B17R1.1287 CCCCCCCC(C)OCc1ccccc1 7a_200011215852_100000211182 [0,1,1,0,0,0|2,0,0]=4 5776 B17R1.1287 CCCCCCCC(C)SCc1ccccc1 62a_100000211182_200011218727 [0,1,1,0,0,0|2,0,0]=4 5777 B17R1.1287 CCCCCCCC(C)SCc1ccccc1 62a_200011218727_100015291786 [0,1,1,0,0,0|2,0,0]=4 5778 B17R1.1287 CCCCCCCN(C)CCc1ccccc1 2230a_100000207497_100000210681 [0,1,1,0,0,0|0,0,0]=2 5779 B17R1.1287 CCCCCCCN(C)CCc1ccccc1 2230a_100000228206_100000765856 [0,1,1,0,0,0|0,0,0]=2 5780 B17R1.1287 CCCCCCCN(C)CCc1ccccc1 269982a_100000207497_100000210681 [0,1,1,0,0,0|0,0,0]=2 5781 B17R1.1287 CCCCCCCN(C)CCc1ccccc1 269982a_100000228206_100000765856 [0,1,1,0,0,0|0,0,0]=2 5782 B17R1.1287 CCCCCCCN(C)CCc1ccccn1 2230a_100000228206_100015183660 [0,1,1,0,0,0|1,0,0]=3 5783 B17R1.1287 CCCCCCCN(C)CCc1ccccn1 2230a_100000737206_100000210681 [0,1,1,0,0,0|1,0,0]=3 5784 B17R1.1287 CCCCCCCN(C)CCc1ccccn1 269982a_100000228206_100015183660 [0,1,1,0,0,0|1,0,0]=3 5785 B17R1.1287 CCCCCCCN(C)CCc1ccccn1 269982a_100000737206_100000210681 [0,1,1,0,0,0|1,0,0]=3 5786 B17R1.1287 CCCCCCCN(C)CCc1cccnc1 2230a_100000228206_200011713674 [0,1,1,0,0,0|1,0,0]=3 5787 B17R1.1287 CCCCCCCN(C)CCc1cccnc1 2230a_100000763209_100000210681 [0,1,1,0,0,0|1,0,0]=3 5788 B17R1.1287 CCCCCCCN(C)CCc1cccnc1 269982a_100000228206_200011713674 [0,1,1,0,0,0|1,0,0]=3 5789 B17R1.1287 CCCCCCCN(C)CCc1cccnc1 269982a_100000763209_100000210681 [0,1,1,0,0,0|1,0,0]=3 5790 B17R1.1287 CCCCCCCN(C)CCc1ccncc1 2230a_100000228206_100000723409 [0,1,1,0,0,0|1,0,0]=3 5791 B17R1.1287 CCCCCCCN(C)CCc1ccncc1 2230a_100000742850_100000210681 [0,1,1,0,0,0|1,0,0]=3 5792 B17R1.1287 CCCCCCCN(C)CCc1ccncc1 269982a_100000228206_100000723409 [0,1,1,0,0,0|1,0,0]=3 5793 B17R1.1287 CCCCCCCN(C)CCc1ccncc1 269982a_100000742850_100000210681 [0,1,1,0,0,0|1,0,0]=3 5794 B17R1.1287 CCCCCCCN(C)CSc1ccccc1 2230a_100000228206_100011218342 [0,1,1,0,0,0|1,0,0]=3 5795 B17R1.1287 CCCCCCCN(C)CSc1ccccc1 269982a_100000228206_100011218342 [0,1,1,0,0,0|1,0,0]=3 5796 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 11a_100000210581_100000185753 [0,1,1,0,0,0|2,0,0]=4 5797 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 1626a_100000210581_100000185753 [0,1,1,0,0,0|2,0,0]=4 5798 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 240690a_100000210581_100000185753 [0,1,1,0,0,0|2,0,0]=4 5799 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 527a_100000210581_100000185753 [0,1,1,0,0,0|2,0,0]=4 5800 B17R1.1287 CCCCCCNC(C)CCc1ccccc1 2230a_100000210798_100000210314 [0,1,1,0,0,0|2,0,0]=4 5801 B17R1.1287 CCCCCCNC(C)CCc1ccccc1 270004a_100000210581_100000210092 [0,1,1,0,0,0|2,0,0]=4 5802 B17R1.1287 CCCCCCNC(C)CCc1ccccc1 34a_100000210798_100000210314 [0,1,1,0,0,0|2,0,0]=4 5803 B17R1.1287 CCCCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210314 [0,1,1,0,0,0|2,0,0]=4 5804 B17R1.1287 CCCCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210314 [0,1,1,0,0,0|2,0,0]=4 5805 B17R1.1287 CCCCCNCC(=O)CCc1ccccc1 2230a_100000209983_100012361361 [0,1,1,0,0,0|2,0,0]=4 5806 B17R1.1287 CCCCCOCC(=O)CCc1ccccc1 34a_100000210253_100012361361 [0,1,1,0,0,0|2,0,0]=4 5807 B17R1.1287 CCCCCOCC(=O)CCc1ccccc1 7a_100000210253_100012361361 [0,1,1,0,0,0|2,0,0]=4 5808 B17R1.1287 CCCCCSCC(=O)CCc1ccccc1 62a_100000210326_100012361361 [0,1,1,0,0,0|2,0,0]=4 5809 B17R1.1287 CCCCCSCC(=O)CCc1ccccc1 62a_100012361361_100000210326 [0,1,1,0,0,0|2,0,0]=4 5810 B17R1.1287 CCCCNCCC(C)CCc1ccccc1 269862a_100000102301_200000075208 [0,1,1,0,0,0|2,0,0]=4 5811 B17R1.1287 CCCCOCCC(=O)CCc1ccccc1 1458a_100000185753_100000743108 [0,1,1,0,0,0|2,0,0]=4 5812 B17R1.1287 CCCCOCCN(C)CCc1ccccc1 2230a_100000207497_100000743108 [0,1,1,0,0,0|1,0,0]=3 5813 B17R1.1287 CCCCOCCN(C)CCc1ccccc1 269982a_100000207497_100000743108 [0,1,1,0,0,0|1,0,0]=3 5814 B17R1.1287 CCCCOCCN(C)CCc1ccccn1 2230a_100000737206_100000743108 [0,1,1,0,0,0|2,0,0]=4 5815 B17R1.1287 CCCCOCCN(C)CCc1ccccn1 269982a_100000737206_100000743108 [0,1,1,0,0,0|2,0,0]=4 5816 B17R1.1287 CCCCOCCN(C)CCc1cccnc1 2230a_100000763209_100000743108 [0,1,1,0,0,0|2,0,0]=4 5817 B17R1.1287 CCCCOCCN(C)CCc1cccnc1 269982a_100000763209_100000743108 [0,1,1,0,0,0|2,0,0]=4 5818 B17R1.1287 CCCCOCCN(C)CCc1ccncc1 2230a_100000742850_100000743108 [0,1,1,0,0,0|2,0,0]=4 5819 B17R1.1287 CCCCOCCN(C)CCc1ccncc1 269982a_100000742850_100000743108 [0,1,1,0,0,0|2,0,0]=4 5820 B17R1.1287 CN(CCCCCC#N)CCc1ccccc1 2230a_100000207497_100009813376 [0,1,1,0,0,0|1,0,1]=4 5821 B17R1.1287 CN(CCCCCC#N)CCc1ccccc1 269982a_100000207497_100009813376 [0,1,1,0,0,0|1,0,1]=4 5822 B17R1.1287 CN(CCCCCC=O)CCc1ccccc1 2230a_100000207497_100000139337 [0,1,1,0,0,0|1,0,1]=4 5823 B17R1.1287 CN(CCCCCC=O)CCc1ccccc1 269982a_100000207497_100000139337 [0,1,1,0,0,0|1,0,1]=4 5824 B17R1.1287 CN(CCCCCCF)CCc1ccccc1 2230a_100000207497_100015922095 [0,1,1,0,0,0|1,0,0]=3 5825 B17R1.1287 CN(CCCCCCF)CCc1ccccc1 269982a_100000207497_100015922095 [0,1,1,0,0,0|1,0,0]=3 5826 B17R1.1287 CN(CCCCCCF)CCc1ccccn1 2230a_100000737206_100015922095 [0,1,1,0,0,0|2,0,0]=4 5827 B17R1.1287 CN(CCCCCCF)CCc1ccccn1 269982a_100000737206_100015922095 [0,1,1,0,0,0|2,0,0]=4 5828 B17R1.1287 CN(CCCCCCF)CCc1cccnc1 2230a_100000763209_100015922095 [0,1,1,0,0,0|2,0,0]=4 5829 B17R1.1287 CN(CCCCCCF)CCc1cccnc1 269982a_100000763209_100015922095 [0,1,1,0,0,0|2,0,0]=4 5830 B17R1.1287 CN(CCCCCCF)CCc1ccncc1 2230a_100000742850_100015922095 [0,1,1,0,0,0|2,0,0]=4 5831 B17R1.1287 CN(CCCCCCF)CCc1ccncc1 269982a_100000742850_100015922095 [0,1,1,0,0,0|2,0,0]=4 5832 B17R1.1287 CN(CCCCCCO)CCc1ccccc1 2230a_100000207497_100000766143 [0,1,1,0,0,0|1,0,0]=3 5833 B17R1.1287 CN(CCCCCCO)CCc1ccccc1 269982a_100000207497_100000766143 [0,1,1,0,0,0|1,0,0]=3 5834 B17R1.1287 CN(CCCCCCO)CCc1ccccn1 2230a_100000737206_100000766143 [0,1,1,0,0,0|2,0,0]=4 5835 B17R1.1287 CN(CCCCCCO)CCc1ccccn1 269982a_100000737206_100000766143 [0,1,1,0,0,0|2,0,0]=4 5836 B17R1.1287 CN(CCCCCCO)CCc1cccnc1 2230a_100000763209_100000766143 [0,1,1,0,0,0|2,0,0]=4 5837 B17R1.1287 CN(CCCCCCO)CCc1cccnc1 269982a_100000763209_100000766143 [0,1,1,0,0,0|2,0,0]=4 5838 B17R1.1287 CN(CCCCCCO)CCc1ccncc1 2230a_100000742850_100000766143 [0,1,1,0,0,0|2,0,0]=4 5839 B17R1.1287 CN(CCCCCCO)CCc1ccncc1 269982a_100000742850_100000766143 [0,1,1,0,0,0|2,0,0]=4 5840 B17R1.1287 COCCCCCC(=O)CCc1ccccc1 1458a_100011935119_100000765856 [0,1,1,0,0,0|2,0,0]=4 5841 B17R1.1287 COCCOCCN(C)CCc1ccccc1 2230a_100000207497_100000695917 [0,1,1,0,0,0|2,0,0]=4 5842 B17R1.1287 COCCOCCN(C)CCc1ccccc1 269982a_100000207497_100000695917 [0,1,1,0,0,0|2,0,0]=4 5843 B17R1.1287 O=C(CCCCCCF)CCc1ccccc1 1458a_100000185753_100015922095 [0,1,1,0,0,0|2,0,0]=4 5844 B17R1.1287 O=C(CCCCCCO)CCc1ccccc1 1458a_100000185753_100000766143 [0,1,1,0,0,0|2,0,0]=4 5845 B17R1.1287 O=C(CCCCCCO)CCc1ccccc1 1458a_100011996774_100000765856 [0,1,1,0,0,0|2,0,0]=4 5846 B17R1.1292 CC(C[n+]1ccccc1)NCCCCCCO 270004a_100000686447_100000034229 [0,1,1,0,0,0|2,0,0]=4 5847 B17R1.1292 CC(Cc1ccccc1)NCCCCCCO 34a_100000686447_200011218536 [0,1,1,0,0,0|1,0,0]=3 5848 B17R1.1292 CC(Cc1ccccc1)OCCCCCCBr 34a_100011215345_200011218536 [0,1,1,0,0,0|2,0,0]=4 5849 B17R1.1292 CC(Cc1ccccc1)OCCCCCCBr 7a_100011215345_200011218536 [0,1,1,0,0,0|2,0,0]=4 5850 B17R1.1292 CC(Cc1ccccc1)OCCCCCCCl 34a_100000766143_200011218536 [0,1,1,0,0,0|2,0,0]=4 5851 B17R1.1292 CC(Cc1ccccc1)OCCCCCCCl 7a_100000766143_200011218536 [0,1,1,0,0,0|2,0,0]=4 5852 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 34a_100000732779_200011218536 [0,1,1,0,0,0|2,0,0]=4 5853 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 34a_100000748627_100015922095 [0,1,1,0,0,0|2,0,0]=4 5854 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 7a_100000732779_200011218536 [0,1,1,0,0,0|2,0,0]=4 5855 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 7a_100000748627_100015922095 [0,1,1,0,0,0|2,0,0]=4 5856 B17R1.1292 CC(Cc1ccccc1)OCCCCCCN 34a_100000686447_200011218536 [0,1,1,0,0,0|2,0,0]=4 5857 B17R1.1292 CC(Cc1ccccc1)OCCCCCCO 34a_100000748627_100000766143 [0,1,1,0,0,0|2,0,0]=4 5858 B17R1.1292 CC(Cc1ccccc1)OCCCCCCO 7a_100000748627_100000766143 [0,1,1,0,0,0|2,0,0]=4 5859 B17R1.1292 CC(Cc1ccccc1)SCCCCCCF 62a_100015922095_200011218536 [0,1,1,0,0,0|2,0,0]=4 5860 B17R1.1292 CC(Cc1ccccc1)SCCCCCCF 62a_200011218536_100015922095 [0,1,1,0,0,0|2,0,0]=4 5861 B17R1.1292 CC(Cc1ccccc1)SCCCCCCO 62a_100000766143_200011218536 [0,1,1,0,0,0|2,0,0]=4 5862 B17R1.1292 CC(Cc1ccccc1)SCCCCCCO 62a_200011218536_100000766143 [0,1,1,0,0,0|2,0,0]=4 5863 B17R1.1292 CC(Cc1ccccn1)NCCCCCCF 2230a_100000238496_100015922095 [0,1,1,0,0,0|2,0,0]=4 5864 B17R1.1292 CC(Cc1ccccn1)NCCCCCCO 2230a_100000238496_100000766143 [0,1,1,0,0,0|2,0,0]=4 5865 B17R1.1292 CC(Cc1cccnc1)NCCCCCCF 2230a_100011207255_100015922095 [0,1,1,0,0,0|2,0,0]=4 5866 B17R1.1292 CC(Cc1cccnc1)NCCCCCCO 2230a_100011207255_100000766143 [0,1,1,0,0,0|2,0,0]=4 5867 B17R1.1292 CC(Cc1cccnc1)NCCCCCCO 270004a_100000686447_100015187140 [0,1,1,0,0,0|2,0,0]=4 5868 B17R1.1292 CC(Cc1ccncc1)NCCCCCCO 270004a_100000686447_100000238508 [0,1,1,0,0,0|2,0,0]=4 5869 B17R1.1292 CCCCCCCCC(=O)Cc1ccccc1 1458a_100000210188_100015291786 [0,1,1,0,0,0|1,0,1]=4 5870 B17R1.1292 CCCCCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210759 [0,1,1,0,0,0|2,0,0]=4 5871 B17R1.1292 CCCCCCCCN(C)Cc1ccccc1 2230a_100000207567_100015291786 [0,1,1,0,0,0|2,0,0]=4 5872 B17R1.1292 CCCCCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210759 [0,1,1,0,0,0|2,0,0]=4 5873 B17R1.1292 CCCCCCCCN(C)Cc1ccccc1 269982a_100000207567_100000211182 [0,1,1,0,0,0|2,0,0]=4 5874 B17R1.1292 CCCCCCCCN(C)Cc1ccccc1 270004a_100000207567_100015611070 [0,1,1,0,0,0|2,0,0]=4 5875 B17R1.1292 CCCCCCCNC(=O)C[n+]1ccccc1 11a_100000229938_200000086051 [0,1,1,0,0,0|1,0,1]=4 5876 B17R1.1292 CCCCCCCNC(=O)C[n+]1ccccc1 240690a_100000229938_200000086051 [0,1,1,0,0,0|1,0,1]=4 5877 B17R1.1292 CCCCCCCNC(=O)C[n+]1ccccc1 527a_100000229938_200000086051 [0,1,1,0,0,0|1,0,1]=4 5878 B17R1.1292 CCCCCCCNC(=O)Cc1ccccn1 11a_100000229938_100000233486 [0,1,1,0,0,0|1,0,1]=4 5879 B17R1.1292 CCCCCCCNC(=O)Cc1cccnc1 11a_100000229938_100000737805 [0,1,1,0,0,0|1,0,1]=4 5880 B17R1.1292 CCCCCCCNC(=O)Cc1cccnc1 240690a_100000229938_100000737805 [0,1,1,0,0,0|1,0,1]=4 5881 B17R1.1292 CCCCCCCNC(=O)Cc1cccnc1 527a_100000229938_100000737805 [0,1,1,0,0,0|1,0,1]=4 5882 B17R1.1292 CCCCCCCNC(=O)Cc1ccncc1 11a_100000229938_100011201483 [0,1,1,0,0,0|1,0,1]=4 5883 B17R1.1292 CCCCCCCNC(=O)Cc1ccncc1 240690a_100000229938_100011201483 [0,1,1,0,0,0|1,0,1]=4 5884 B17R1.1292 CCCCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000229938 [0,1,1,0,0,0|1,0,1]=4 5885 B17R1.1292 CCCCCCCNC(C)C[n+]1ccccc1 270004a_100000229938_100000034229 [0,1,1,0,0,0|1,0,0]=3 5886 B17R1.1292 CCCCCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210681 [0,1,1,0,0,0|1,0,0]=3 5887 B17R1.1292 CCCCCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210681 [0,1,1,0,0,0|1,0,0]=3 5888 B17R1.1292 CCCCCCCNC(C)Cc1cccnc1 270004a_100000229938_100015187140 [0,1,1,0,0,0|1,0,0]=3 5889 B17R1.1292 CCCCCCCNC(C)Cc1ccncc1 270004a_100000229938_100000238508 [0,1,1,0,0,0|1,0,0]=3 5890 B17R1.1292 CCCCCCCNC(C)Cc1cnccn1 2230a_100011277835_100000210681 [0,1,1,0,0,0|2,0,0]=4 5891 B17R1.1292 CCCCCCCNC(C)Cc1cnccn1 270004a_100000229938_100015184882 [0,1,1,0,0,0|2,0,0]=4 5892 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 34a_100000210272_200011218536 [0,1,1,0,0,0|1,0,0]=3 5893 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 34a_100000748627_100000210614 [0,1,1,0,0,0|1,0,0]=3 5894 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 7a_100000210272_200011218536 [0,1,1,0,0,0|1,0,0]=3 5895 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210614 [0,1,1,0,0,0|1,0,0]=3 5896 B17R1.1292 CCCCCCCSC(C)Cc1ccccc1 62a_100000210614_200011218536 [0,1,1,0,0,0|1,0,0]=3 5897 B17R1.1292 CCCCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210316 [0,1,1,0,0,0|1,0,0]=3 5898 B17R1.1292 CCCCCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210314 [0,1,1,0,0,0|2,0,0]=4 5899 B17R1.1292 CCCCCCNC[C@@H](O)Cc1ccccc1 2230a_100000210581_100000729385 [0,1,1,0,0,0|2,0,0]=4 5900 B17R1.1292 CCCCCCOCC(C)Cc1ccccc1 34a_100012125295_100000210314 [0,1,1,0,0,0|2,0,0]=4 5901 B17R1.1292 CCCCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210314 [0,1,1,0,0,0|2,0,0]=4 5902 B17R1.1292 CCCCCCOCC(N)Cc1ccccc1 34a_100000739027_100000210314 [0,1,1,0,0,0|2,0,0]=4 5903 B17R1.1292 CCCCCCOC[C@@H](O)Cc1ccccc1 34a_100000210259_100000729385 [0,1,1,0,0,0|2,0,0]=4 5904 B17R1.1292 CCCCCCOC[C@@H](O)Cc1ccccc1 7a_100000210259_100000729385 [0,1,1,0,0,0|2,0,0]=4 5905 B17R1.1292 CCCCCCSC[C@@H](O)Cc1ccccc1 62a_100000210314_100000729385 [0,1,1,0,0,0|2,0,0]=4 5906 B17R1.1292 CCCCCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210757 [0,1,1,0,0,0|2,0,0]=4 5907 B17R1.1292 CCCCOCCNC(C)Cc1ccccn1 2230a_100000238496_100000743108 [0,1,1,0,0,0|2,0,0]=4 5908 B17R1.1292 CCCCOCCNC(C)Cc1cccnc1 2230a_100011207255_100000743108 [0,1,1,0,0,0|2,0,0]=4 5909 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 34a_100000210238_200011218536 [0,1,1,0,0,0|2,0,0]=4 5910 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 34a_100000748627_100000743108 [0,1,1,0,0,0|2,0,0]=4 5911 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 7a_100000210238_200011218536 [0,1,1,0,0,0|2,0,0]=4 5912 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 7a_100000748627_100000743108 [0,1,1,0,0,0|2,0,0]=4 5913 B17R1.1292 CCCCOCCSC(C)Cc1ccccc1 62a_100000743108_200011218536 [0,1,1,0,0,0|2,0,0]=4 5914 B17R1.1292 CCCCOCCSC(C)Cc1ccccc1 62a_200011218536_100000743108 [0,1,1,0,0,0|2,0,0]=4 5915 B17R1.1292 CCCCSCCNC(C)C[n+]1ccccc1 270004a_100025743550_100000034229 [0,1,1,0,0,0|2,0,0]=4 5916 B17R1.1292 CCCCSCCNC(C)Cc1cccnc1 270004a_100025743550_100015187140 [0,1,1,0,0,0|2,0,0]=4 5917 B17R1.1292 CCCCSCCNC(C)Cc1ccncc1 270004a_100025743550_100000238508 [0,1,1,0,0,0|2,0,0]=4 5918 B17R1.1292 CCCCSCCOC(C)Cc1ccccc1 34a_200000230436_200011218536 [0,1,1,0,0,0|2,0,0]=4 5919 B17R1.1292 CCCCSCCOC(C)Cc1ccccc1 7a_200000230436_200011218536 [0,1,1,0,0,0|2,0,0]=4 5920 B17R1.1292 CCCOCCCNC(C)C[n+]1ccccc1 270004a_100011217757_100000034229 [0,1,1,0,0,0|2,0,0]=4 5921 B17R1.1292 CCCOCCCNC(C)Cc1ccccc1 34a_100011217757_200011218536 [0,1,1,0,0,0|1,0,0]=3 5922 B17R1.1292 CCCOCCCNC(C)Cc1cccnc1 270004a_100011217757_100015187140 [0,1,1,0,0,0|2,0,0]=4 5923 B17R1.1292 CCCOCCCNC(C)Cc1ccncc1 270004a_100011217757_100000238508 [0,1,1,0,0,0|2,0,0]=4 5924 B17R1.1292 CNCCCCCOC(C)Cc1ccccc1 34a_100000722520_200011218536 [0,1,1,0,0,0|2,0,0]=4 5925 B17R1.1292 COCCCCCNC(C)C[n+]1ccccc1 270004a_100000747528_100000034229 [0,1,1,0,0,0|2,0,0]=4 5926 B17R1.1292 COCCCCCNC(C)Cc1ccccc1 34a_100000747528_200011218536 [0,1,1,0,0,0|1,0,0]=3 5927 B17R1.1292 COCCCCCNC(C)Cc1cccnc1 270004a_100000747528_100015187140 [0,1,1,0,0,0|2,0,0]=4 5928 B17R1.1292 COCCCCCNC(C)Cc1ccncc1 270004a_100000747528_100000238508 [0,1,1,0,0,0|2,0,0]=4 5929 B17R1.1292 COCCOCCNC(C)Cc1ccccc1 34a_100000745349_200011218536 [0,1,1,0,0,0|2,0,0]=4 5930 B17R1.1311 CC(=O)CCCCCCCCc1ccccc1 1458a_100000070787_100009814296 [0,1,1,0,0,0|1,0,1]=4 5931 B17R1.1311 CC(=O)NCCCCNCCc1ccccc1 2230a_200011368371_100000765856 [0,1,1,0,0,0|1,0,1]=4 5932 B17R1.1311 CC(=O)NCCCCNCCc1ccccc1 34a_200011368371_100000765856 [0,1,1,0,0,0|1,0,1]=4 5933 B17R1.1311 CC(=O)OCCCCNCCc1ccccc1 34a_100000106460_100000033659 [0,1,1,0,0,0|1,0,1]=4 5934 B17R1.1311 CC(=O)SCCCCNCCc1ccccc1 2230a_100000106460_200010402107 [0,1,1,0,0,0|1,0,1]=4 5935 B17R1.1311 CC(=O)SCCCCNCCc1ccccc1 34a_100000106460_200010402107 [0,1,1,0,0,0|1,0,1]=4 5936 B17R1.1311 CC(Br)CCOCCCCCc1ccccc1 34a_100009893172_200011217138 [0,1,1,0,0,0|2,0,0]=4 5937 B17R1.1311 CC(Br)COCCCCCCc1ccccc1 34a_100012180447_100011218729 [0,1,1,0,0,0|2,0,0]=4 5938 B17R1.1311 CC(C)CCCCCCNCc1ccccc1 207a_100000211014_100015611070 [0,1,1,0,0,0|2,0,0]=4 5939 B17R1.1311 CC(C)CCCCCCNCc1ccccc1 2230a_100000211014_100015291786 [0,1,1,0,0,0|2,0,0]=4 5940 B17R1.1311 CC(C)CCCCCCNCc1ccccc1 270004a_100000211014_100015611070 [0,1,1,0,0,0|2,0,0]=4 5941 B17R1.1311 CC(C)CCCCCCNCc1ccccc1 34a_100000211014_100015291786 [0,1,1,0,0,0|2,0,0]=4 5942 B17R1.1311 CC(C)CCCCCNCCc1ccccc1 2230a_100000106460_100000210682 [0,1,1,0,0,0|0,0,0]=2 5943 B17R1.1311 CC(C)CCCCCNCCc1ccccc1 2230a_100011290863_100000765856 [0,1,1,0,0,0|0,0,0]=2 5944 B17R1.1311 CC(C)CCCCCNCCc1ccccc1 34a_100000106460_100000210682 [0,1,1,0,0,0|0,0,0]=2 5945 B17R1.1311 CC(C)CCCCCNCCc1ccccc1 34a_100011290863_100000765856 [0,1,1,0,0,0|0,0,0]=2 5946 B17R1.1311 CC(C)CCCCCNCCc1ccccn1 2230a_100011290863_100015183660 [0,1,1,0,0,0|1,0,0]=3 5947 B17R1.1311 CC(C)CCCCCNCCc1cccnc1 2230a_100000736294_100000210682 [0,1,1,0,0,0|1,0,0]=3 5948 B17R1.1311 CC(C)CCCCCNCCc1cccnc1 2230a_100011290863_200011713674 [0,1,1,0,0,0|1,0,0]=3 5949 B17R1.1311 CC(C)CCCCCNCCc1ccncc1 2230a_100011290863_100000723409 [0,1,1,0,0,0|1,0,0]=3 5950 B17R1.1311 CC(C)CCCCCNCSc1ccccc1 2230a_100011290863_100011218342 [0,1,1,0,0,0|1,0,0]=3 5951 B17R1.1311 CC(C)CCCCCOCCc1ccccc1 34a_100000210268_100000210682 [0,1,1,0,0,0|1,0,0]=3 5952 B17R1.1311 CC(C)CCCCCOCCc1ccccc1 34a_100011995859_100000765856 [0,1,1,0,0,0|1,0,0]=3 5953 B17R1.1311 CC(C)CCCCCOCCc1ccccc1 7a_100000210268_100000210682 [0,1,1,0,0,0|1,0,0]=3 5954 B17R1.1311 CC(C)CCCCCOCCc1ccccc1 7a_100011995859_100000765856 [0,1,1,0,0,0|1,0,0]=3 5955 B17R1.1311 CC(C)CCCCCOCCc1ccccn1 34a_100000210271_100000210682 [0,1,1,0,0,0|2,0,0]=4 5956 B17R1.1311 CC(C)CCCCCOCCc1ccccn1 7a_100011995859_100015183660 [0,1,1,0,0,0|2,0,0]=4 5957 B17R1.1311 CC(C)CCCCCOCCc1cccnc1 34a_100011217484_100000210682 [0,1,1,0,0,0|2,0,0]=4 5958 B17R1.1311 CC(C)CCCCCOCCc1cccnc1 7a_100011995859_200011713674 [0,1,1,0,0,0|2,0,0]=4 5959 B17R1.1311 CC(C)CCCCCOCCc1ccncc1 34a_100011216225_100000210682 [0,1,1,0,0,0|2,0,0]=4 5960 B17R1.1311 CC(C)CCCCCOCCc1ccncc1 7a_100011995859_100000723409 [0,1,1,0,0,0|2,0,0]=4 5961 B17R1.1311 CC(C)CCCCCSCCc1ccccc1 62a_100000210682_100011218657 [0,1,1,0,0,0|1,0,0]=3 5962 B17R1.1311 CC(C)CCCCCSCCc1ccccc1 62a_100000765856_100000210682 [0,1,1,0,0,0|1,0,0]=3 5963 B17R1.1311 CC(C)CCCCCSCCc1ccccn1 62a_100000210682_100015183660 [0,1,1,0,0,0|2,0,0]=4 5964 B17R1.1311 CC(C)CCCCCSCCc1ccccn1 62a_100015183660_100000210682 [0,1,1,0,0,0|2,0,0]=4 5965 B17R1.1311 CC(C)CCCCCSCCc1cccnc1 62a_100000210682_200011713674 [0,1,1,0,0,0|2,0,0]=4 5966 B17R1.1311 CC(C)CCCCCSCCc1cccnc1 62a_200011713674_100000210682 [0,1,1,0,0,0|2,0,0]=4 5967 B17R1.1311 CC(C)CCCCCSCCc1ccncc1 62a_100000210682_100000723409 [0,1,1,0,0,0|2,0,0]=4 5968 B17R1.1311 CC(C)CCCCCSCCc1ccncc1 62a_100000723409_100000210682 [0,1,1,0,0,0|2,0,0]=4 5969 B17R1.1311 CC(C)CCCCCSCSc1ccccc1 62a_100000210682_100011218342 [0,1,1,0,0,0|2,0,0]=4 5970 B17R1.1311 CC(C)CCCCCSCSc1ccccc1 62a_100011218342_100000210682 [0,1,1,0,0,0|2,0,0]=4 5971 B17R1.1311 CC(C)CCCCNCCCc1ccccc1 2230a_100000211184_100011216152 [0,1,1,0,0,0|2,0,0]=4 5972 B17R1.1311 CC(C)CCCCNCCCc1ccccc1 34a_100000211184_100011216152 [0,1,1,0,0,0|2,0,0]=4 5973 B17R1.1311 CC(C)CCCCOCCCc1ccccc1 34a_100000210828_100011216152 [0,1,1,0,0,0|2,0,0]=4 5974 B17R1.1311 CC(C)CCCCOCCCc1ccccc1 34a_100011214890_100000211621 [0,1,1,0,0,0|2,0,0]=4 5975 B17R1.1311 CC(C)CCCCOCCCc1ccccc1 7a_100000210828_100011216152 [0,1,1,0,0,0|2,0,0]=4 5976 B17R1.1311 CC(C)CCCCOCCCc1ccccc1 7a_100011214890_100000211621 [0,1,1,0,0,0|2,0,0]=4 5977 B17R1.1311 CC(C)CCCCSCCCc1ccccc1 62a_100000211621_100011216152 [0,1,1,0,0,0|2,0,0]=4 5978 B17R1.1311 CC(C)CCCCSCCCc1ccccc1 62a_100011216152_100000211621 [0,1,1,0,0,0|2,0,0]=4 5979 B17R1.1311 CC(C)CCCNCCCCc1ccccc1 2230a_100015280158_100011214892 [0,1,1,0,0,0|2,0,0]=4 5980 B17R1.1311 CC(C)CCCNCCCCc1ccccc1 2230a_200000737386_100000701786 [0,1,1,0,0,0|2,0,0]=4 5981 B17R1.1311 CC(C)CCCNCCCCc1ccccc1 34a_100015280158_100011214892 [0,1,1,0,0,0|2,0,0]=4 5982 B17R1.1311 CC(C)CCCNCCCCc1ccccc1 34a_200000737386_100000701786 [0,1,1,0,0,0|2,0,0]=4 5983 B17R1.1311 CC(C)CCCOCCCCc1ccccc1 34a_100000210774_100000701786 [0,1,1,0,0,0|2,0,0]=4 5984 B17R1.1311 CC(C)CCCOCCCCc1ccccc1 34a_100000703073_100011214892 [0,1,1,0,0,0|2,0,0]=4 5985 B17R1.1311 CC(C)CCCOCCCCc1ccccc1 7a_100000210774_100000701786 [0,1,1,0,0,0|2,0,0]=4 5986 B17R1.1311 CC(C)CCCOCCCCc1ccccc1 7a_100000703073_100011214892 [0,1,1,0,0,0|2,0,0]=4 5987 B17R1.1311 CC(C)CCCSCCCCc1ccccc1 62a_100000701786_100011214892 [0,1,1,0,0,0|2,0,0]=4 5988 B17R1.1311 CC(C)CCCSCCCCc1ccccc1 62a_100011214892_100000701786 [0,1,1,0,0,0|2,0,0]=4 5989 B17R1.1311 CC(C)CCNCCCCCc1ccccc1 2230a_100000750932_100000210312 [0,1,1,0,0,0|2,0,0]=4 5990 B17R1.1311 CC(C)CCNCCCCCc1ccccc1 269862a_100000750932_100000185833 [0,1,1,0,0,0|2,0,0]=4 5991 B17R1.1311 CC(C)CCNCCCCCc1ccccc1 34a_100000750932_100000210312 [0,1,1,0,0,0|2,0,0]=4 5992 B17R1.1311 CC(C)CCOCCCCCc1ccccc1 34a_100000210254_200011217138 [0,1,1,0,0,0|2,0,0]=4 5993 B17R1.1311 CC(C)CCOCCCCCc1ccccc1 34a_200011219639_100000210312 [0,1,1,0,0,0|2,0,0]=4 5994 B17R1.1311 CC(C)CCOCCCCCc1ccccc1 7a_100000210254_200011217138 [0,1,1,0,0,0|2,0,0]=4 5995 B17R1.1311 CC(C)CCOCCCCCc1ccccc1 7a_200011219639_100000210626 [0,1,1,0,0,0|2,0,0]=4 5996 B17R1.1311 CC(C)CCSCCCCCc1ccccc1 62a_100000210312_200011217138 [0,1,1,0,0,0|2,0,0]=4 5997 B17R1.1311 CC(C)CCSCCCCCc1ccccc1 62a_200011217138_100000210312 [0,1,1,0,0,0|2,0,0]=4 5998 B17R1.1311 CC(C)CNCCCCCCc1ccccc1 2230a_100000210953_100011218729 [0,1,1,0,0,0|2,0,0]=4 5999 B17R1.1311 CC(C)CNCCCCCCc1ccccc1 34a_100000210953_100011218729 [0,1,1,0,0,0|2,0,0]=4 6000 B17R1.1311 CC(C)COCCCCCCc1ccccc1 34a_100000210257_100011218729 [0,1,1,0,0,0|2,0,0]=4 6001 B17R1.1311 CC(C)COCCCCCCc1ccccc1 34a_100011215581_100000210624 [0,1,1,0,0,0|2,0,0]=4 6002 B17R1.1311 CC(C)COCCCCCCc1ccccc1 7a_100011215581_100000210760 [0,1,1,0,0,0|2,0,0]=4 6003 B17R1.1311 CC(C)COCCCNCCc1ccccc1 2230a_100000205972_100000765856 [0,1,1,0,0,0|1,0,0]=3 6004 B17R1.1311 CC(C)COCCCNCCc1ccccc1 34a_100000205972_100000765856 [0,1,1,0,0,0|1,0,0]=3 6005 B17R1.1311 CC(C)COCCCNCCc1ccccn1 2230a_100000205972_100015183660 [0,1,1,0,0,0|2,0,0]=4 6006 B17R1.1311 CC(C)COCCCNCCc1cccnc1 2230a_100000205972_200011713674 [0,1,1,0,0,0|2,0,0]=4 6007 B17R1.1311 CC(C)COCCCNCCc1ccncc1 2230a_100000205972_100000723409 [0,1,1,0,0,0|2,0,0]=4 6008 B17R1.1311 CC(C)COCCCNCSc1ccccc1 2230a_100000205972_100011218342 [0,1,1,0,0,0|2,0,0]=4 6009 B17R1.1311 CC(C)CSCCCCCCc1ccccc1 62a_100000210624_100011218729 [0,1,1,0,0,0|2,0,0]=4 6010 B17R1.1311 CC(C)CSCCCCCCc1ccccc1 62a_100011218729_100000210760 [0,1,1,0,0,0|2,0,0]=4 6011 B17R1.1311 CC(C)NCCCCCCCc1ccccc1 2230a_100138425928_200009813472 [0,1,1,0,0,0|2,0,0]=4 6012 B17R1.1311 CC(C)NCCCCCCCc1ccccc1 34a_100138425928_200009813472 [0,1,1,0,0,0|2,0,0]=4 6013 B17R1.1311 CC(C)NCCCCOCCc1ccccc1 34a_100011521146_100000765856 [0,1,1,0,0,0|2,0,0]=4 6014 B17R1.1311 CC(C)OCCCCCCCc1ccccc1 34a_100000042756_100000210206 [0,1,1,0,0,0|2,0,0]=4 6015 B17R1.1311 CC(C)OCCCCCCCc1ccccc1 34a_100000212225_200009813472 [0,1,1,0,0,0|2,0,0]=4 6016 B17R1.1311 CC(C)OCCCCCCCc1ccccc1 7a_100000042756_100000210206 [0,1,1,0,0,0|2,0,0]=4 6017 B17R1.1311 CC(C)SCCCCCCCc1ccccc1 62a_100000210206_200009813472 [0,1,1,0,0,0|2,0,0]=4 6018 B17R1.1311 CC(F)COCCCCCCc1ccccc1 34a_100015925927_100011218729 [0,1,1,0,0,0|2,0,0]=4 6019 B17R1.1311 CC(O)CCCNCCCCc1ccccc1 2230a_100015280158_200000718107 [0,1,1,0,0,0|2,0,0]=4 6020 B17R1.1311 CC(O)CCCNCCCCc1ccccc1 34a_100015280158_200000718107 [0,1,1,0,0,0|2,0,0]=4 6021 B17R1.1311 CC(O)CCCOCCCCc1ccccc1 34a_100000703073_200000718107 [0,1,1,0,0,0|2,0,0]=4 6022 B17R1.1311 CC(O)CCCOCCCCc1ccccc1 7a_100000703073_200000718107 [0,1,1,0,0,0|2,0,0]=4 6023 B17R1.1311 CC(O)CCCSCCCCc1ccccc1 62a_100000701786_200000718107 [0,1,1,0,0,0|2,0,0]=4 6024 B17R1.1311 CC(O)CCCSCCCCc1ccccc1 62a_200000718107_100000701786 [0,1,1,0,0,0|2,0,0]=4 6025 B17R1.1311 CC(O)CCNCCCCCc1ccccc1 2230a_100000750932_100012276601 [0,1,1,0,0,0|2,0,0]=4 6026 B17R1.1311 CC(O)CCNCCCCCc1ccccc1 2230a_200000755665_200011217138 [0,1,1,0,0,0|2,0,0]=4 6027 B17R1.1311 CC(O)CCNCCCCCc1ccccc1 34a_100000750932_100012276601 [0,1,1,0,0,0|2,0,0]=4 6028 B17R1.1311 CC(O)CCOCCCCCc1ccccc1 34a_200011219639_100012276601 [0,1,1,0,0,0|2,0,0]=4 6029 B17R1.1311 CC(O)CCOCCCCCc1ccccc1 7a_200011219639_100012276601 [0,1,1,0,0,0|2,0,0]=4 6030 B17R1.1311 CC(O)CCSCCCCCc1ccccc1 62a_100012276601_200011217138 [0,1,1,0,0,0|2,0,0]=4 6031 B17R1.1311 CC(O)CCSCCCCCc1ccccc1 62a_200011217138_100012276601 [0,1,1,0,0,0|2,0,0]=4 6032 B17R1.1311 CC(O)CNCCCCCCc1ccccc1 2230a_100000210904_100011218729 [0,1,1,0,0,0|2,0,0]=4 6033 B17R1.1311 CC(O)CNCCCCCCc1ccccc1 34a_100000210904_100011218729 [0,1,1,0,0,0|2,0,0]=4 6034 B17R1.1311 CC(O)COCCCCCCc1ccccc1 34a_100011215581_100011218427 [0,1,1,0,0,0|2,0,0]=4 6035 B17R1.1311 CC(O)COCCCCCCc1ccccc1 7a_100011215581_100011218427 [0,1,1,0,0,0|2,0,0]=4 6036 B17R1.1311 CC(O)CSCCCCCCc1ccccc1 62a_100011218427_100011218729 [0,1,1,0,0,0|2,0,0]=4 6037 B17R1.1311 CC(O)CSCCCCCCc1ccccc1 62a_100011218729_100011218427 [0,1,1,0,0,0|2,0,0]=4 6038 B17R1.1311 CN(C)CCCCCCCCc1ccccc1 2230a_100102631434_100009814296 [0,1,1,0,0,0|2,0,0]=4 6039 B17R1.1311 CN(C)CCCCCCCCc1ccccc1 269982a_100102631434_100009814296 [0,1,1,0,0,0|2,0,0]=4 6040 B17R1.1311 C[C@@H](Cl)COCCCCCCc1ccccc1 34a_100016084084_100011218729 [0,1,1,0,0,0|2,0,0]=4 6041 B17R1.1311 C[C@@H](N)CCOCCCCCc1ccccc1 34a_100000706166_200011217138 [0,1,1,0,0,0|2,0,0]=4 6042 B17R1.1311 C[C@@H](N)COCCCCCCc1ccccc1 34a_100000737577_100011218729 [0,1,1,0,0,0|2,0,0]=4 6043 B17R1.1311 C[C@@H](O)COCCCCCCc1ccccc1 34a_100011215581_100009817552 [0,1,1,0,0,0|2,0,0]=4 6044 B17R1.1311 C[C@@H](O)COCCCCCCc1ccccc1 7a_100011215581_100009817552 [0,1,1,0,0,0|2,0,0]=4 6045 B17R1.1311 C[C@@H](O)CSCCCCCCc1ccccc1 62a_100009817552_100011218729 [0,1,1,0,0,0|2,0,0]=4 6046 B17R1.1311 C[C@@H](O)CSCCCCCCc1ccccc1 62a_100011218729_100009817552 [0,1,1,0,0,0|2,0,0]=4 6047 B17R1.1311 NC(=O)CCCCCNCCc1ccccc1 2230a_100000106460_100009817443 [0,1,1,0,0,0|1,0,1]=4 6048 B17R1.1311 NC(=O)CCCCCNCCc1ccccc1 34a_100000106460_100009817443 [0,1,1,0,0,0|1,0,1]=4 6049 B17R1.1311 OB(O)CCCCCNCCc1ccccc1 2230a_100000106460_200009817188 [0,1,1,0,0,0|2,0,0]=4 6050 B17R1.1311 OB(O)CCCCCNCCc1ccccc1 34a_100000106460_200009817188 [0,1,1,0,0,0|2,0,0]=4 6051 B17R1.1450 BrCCCCCCOCCc1ccccc1Br 34a_100011215345_100012161201 [0,1,1,0,0,0|2,0,0]=4 6052 B17R1.1450 BrCCCCCCOCCc1ccccc1Br 7a_100011215345_100012161201 [0,1,1,0,0,0|2,0,0]=4 6053 B17R1.1450 C#CCCCCCNCCc1ccccc1Br 2230a_100000747383_100012094781 [0,1,1,0,0,0|0,0,2]=4 6054 B17R1.1450 C#CCCCCCNCCc1ccccc1Br 34a_100000747383_100012094781 [0,1,1,0,0,0|0,0,2]=4 6055 B17R1.1450 C#CCCCCCNCCc1ccccc1C 2230a_100000685071_100012094781 [0,1,1,0,0,0|0,0,2]=4 6056 B17R1.1450 C#CCCCCCNCCc1ccccc1C 34a_100000685071_100012094781 [0,1,1,0,0,0|0,0,2]=4 6057 B17R1.1450 C#CCCCCCNCCc1ccccc1Cl 2230a_100011207228_100012094781 [0,1,1,0,0,0|0,0,2]=4 6058 B17R1.1450 C#CCCCCCNCCc1ccccc1Cl 34a_100011207228_100012094781 [0,1,1,0,0,0|0,0,2]=4 6059 B17R1.1450 C#CCCCCCNCCc1ccccc1F 2230a_100000185272_100012094781 [0,1,1,0,0,0|0,0,2]=4 6060 B17R1.1450 C#CCCCCCNCCc1ccccc1F 34a_100000185272_100012094781 [0,1,1,0,0,0|0,0,2]=4 6061 B17R1.1450 C#CCCCCCNCCc1ccccc1O 34a_100011207237_100012094781 [0,1,1,0,0,0|0,0,2]=4 6062 B17R1.1450 C=CCCCCCNCCc1ccccc1Br 2230a_100000747383_100000700193 [0,1,1,0,0,0|0,0,2]=4 6063 B17R1.1450 C=CCCCCCNCCc1ccccc1Br 34a_100000747383_100000700193 [0,1,1,0,0,0|0,0,2]=4 6064 B17R1.1450 C=CCCCCCNCCc1ccccc1C 2230a_100000685071_100000700193 [0,1,1,0,0,0|0,0,2]=4 6065 B17R1.1450 C=CCCCCCNCCc1ccccc1C 34a_100000685071_100000700193 [0,1,1,0,0,0|0,0,2]=4 6066 B17R1.1450 C=CCCCCCNCCc1ccccc1Cl 2230a_100011207228_100000700193 [0,1,1,0,0,0|0,0,2]=4 6067 B17R1.1450 C=CCCCCCNCCc1ccccc1Cl 34a_100011207228_100000700193 [0,1,1,0,0,0|0,0,2]=4 6068 B17R1.1450 C=CCCCCCNCCc1ccccc1F 2230a_100000185272_100000700193 [0,1,1,0,0,0|0,0,2]=4 6069 B17R1.1450 C=CCCCCCNCCc1ccccc1F 34a_100000185272_100000700193 [0,1,1,0,0,0|0,0,2]=4 6070 B17R1.1450 C=CCCCCCNCCc1ccccc1O 34a_100011207237_100000700193 [0,1,1,0,0,0|0,0,2]=4 6071 B17R1.1450 CCCCCCCCCCc1c[nH]ccc1=O 271570a_100000061613_100009998708 [0,1,1,0,0,0|2,0,0]=4 6072 B17R1.1450 CCCCCCCCCCc1c[nH]ccc1=S 271570a_100000061613_200012280681 [0,1,1,0,0,0|2,0,0]=4 6073 B17R1.1450 CCCCCCCCCCc1ccc[nH]c1=O 271570a_100000061613_100000050042 [0,1,1,0,0,0|2,0,0]=4 6074 B17R1.1450 CCCCCCCCCCc1cccc[n+]1C 271570a_100000061613_100000212160 [0,1,1,0,0,0|2,0,0]=4 6075 B17R1.1450 CCCCCCCCCCc1cccc[n+]1[O-] 271570a_100000061613_200000042595 [0,1,1,0,0,0|2,0,0]=4 6076 B17R1.1450 CCCCCCCCCCc1ccccc1C 271570a_100000061613_100000210755 [0,1,1,0,0,0|1,0,0]=3 6077 B17R1.1450 CCCCCCCCCCc1ccccc1F 271570a_100000061613_100011215700 [0,1,1,0,0,0|1,0,0]=3 6078 B17R1.1450 CCCCCCCCCCc1ccccc1N 271570a_100000061613_100000210017 [0,1,1,0,0,0|1,0,0]=3 6079 B17R1.1450 CCCCCCCCCCc1ccccc1O 271570a_100000061613_100000739446 [0,1,1,0,0,0|1,0,0]=3 6080 B17R1.1450 CCCCCCCCCCc1cccnc1Br 271570a_100000061613_100010202626 [0,1,1,0,0,0|2,0,0]=4 6081 B17R1.1450 CCCCCCCCCCc1cccnc1C 271570a_100000061613_100000751574 [0,1,1,0,0,0|2,0,0]=4 6082 B17R1.1450 CCCCCCCCCCc1cccnc1Cl 271570a_100000061613_100000036424 [0,1,1,0,0,0|2,0,0]=4 6083 B17R1.1450 CCCCCCCCCCc1cccnc1F 271570a_100000061613_100009816115 [0,1,1,0,0,0|2,0,0]=4 6084 B17R1.1450 CCCCCCCCCCc1cccnc1N 271570a_100000061613_100000045569 [0,1,1,0,0,0|2,0,0]=4 6085 B17R1.1450 CCCCCCCCCCc1ccncc1Br 271570a_100000061613_100000726257 [0,1,1,0,0,0|2,0,0]=4 6086 B17R1.1450 CCCCCCCCCCc1ccncc1C 271570a_100000061613_100015191297 [0,1,1,0,0,0|2,0,0]=4 6087 B17R1.1450 CCCCCCCCCCc1ccncc1Cl 271570a_100000061613_100000708259 [0,1,1,0,0,0|2,0,0]=4 6088 B17R1.1450 CCCCCCCCCCc1ccncc1F 271570a_100000061613_100000047030 [0,1,1,0,0,0|2,0,0]=4 6089 B17R1.1450 CCCCCCCCCCc1ccncc1N 271570a_100000061613_100009815883 [0,1,1,0,0,0|2,0,0]=4 6090 B17R1.1450 CCCCCCCCCCc1ccncc1O 271570a_100000061613_100009817591 [0,1,1,0,0,0|2,0,0]=4 6091 B17R1.1450 CCCCCCCCCCc1cnccc1Br 271570a_100000061613_100010138639 [0,1,1,0,0,0|2,0,0]=4 6092 B17R1.1450 CCCCCCCCCCc1cnccc1C 271570a_100000061613_100000761580 [0,1,1,0,0,0|2,0,0]=4 6093 B17R1.1450 CCCCCCCCCCc1cnccc1Cl 271570a_100000061613_100009995489 [0,1,1,0,0,0|2,0,0]=4 6094 B17R1.1450 CCCCCCCCCCc1cnccc1F 271570a_100000061613_100009820683 [0,1,1,0,0,0|2,0,0]=4 6095 B17R1.1450 CCCCCCCCCCc1cnccc1N 271570a_100000061613_100000047001 [0,1,1,0,0,0|2,0,0]=4 6096 B17R1.1450 CCCCCCCCCCc1ncccc1Br 271570a_100000061613_100000696092 [0,1,1,0,0,0|2,0,0]=4 6097 B17R1.1450 CCCCCCCCCCc1ncccc1C 271570a_100000061613_100000751373 [0,1,1,0,0,0|2,0,0]=4 6098 B17R1.1450 CCCCCCCCCCc1ncccc1Cl 271570a_100000061613_100011356963 [0,1,1,0,0,0|2,0,0]=4 6099 B17R1.1450 CCCCCCCCCCc1ncccc1F 271570a_100000061613_100000685392 [0,1,1,0,0,0|2,0,0]=4 6100 B17R1.1450 CCCCCCCCCCc1ncccc1N 271570a_100000061613_100000688686 [0,1,1,0,0,0|2,0,0]=4 6101 B17R1.1450 CCCCCCCCCCc1ncccc1O 271570a_100000061613_100000034122 [0,1,1,0,0,0|2,0,0]=4 6102 B17R1.1450 CCCCCCCCCNc1ccccc1Br 34a_100000210017_100011214924 [0,1,1,0,0,0|2,0,0]=4 6103 B17R1.1450 CCCCCCCCCNc1ccccc1C 34a_100015192222_100011214924 [0,1,1,0,0,0|2,0,0]=4 6104 B17R1.1450 CCCCCCCCCNc1ccccc1Cl 34a_100000185783_100011214924 [0,1,1,0,0,0|2,0,0]=4 6105 B17R1.1450 CCCCCCCCCNc1ccccc1F 34a_100000210422_100011214924 [0,1,1,0,0,0|2,0,0]=4 6106 B17R1.1450 CCCCCCCCCNc1ccccc1I 34a_100000210053_100011214924 [0,1,1,0,0,0|2,0,0]=4 6107 B17R1.1450 CCCCCCCCCNc1ccccc1O 34a_100000185747_100011214924 [0,1,1,0,0,0|2,0,0]=4 6108 B17R1.1450 CCCCCCCCCOc1ccccc1Br 34a_100000181306_100011214924 [0,1,1,0,0,0|2,0,0]=4 6109 B17R1.1450 CCCCCCCCCOc1ccccc1Br 7a_100000181306_100000210328 [0,1,1,0,0,0|2,0,0]=4 6110 B17R1.1450 CCCCCCCCCOc1ccccc1C 34a_100000210338_100011214924 [0,1,1,0,0,0|2,0,0]=4 6111 B17R1.1450 CCCCCCCCCOc1ccccc1C 7a_100000210338_100000210328 [0,1,1,0,0,0|2,0,0]=4 6112 B17R1.1450 CCCCCCCCCOc1ccccc1Cl 34a_100000210172_100011214924 [0,1,1,0,0,0|2,0,0]=4 6113 B17R1.1450 CCCCCCCCCOc1ccccc1Cl 7a_100000210172_100000210328 [0,1,1,0,0,0|2,0,0]=4 6114 B17R1.1450 CCCCCCCCCOc1ccccc1F 34a_100000210171_100011214924 [0,1,1,0,0,0|2,0,0]=4 6115 B17R1.1450 CCCCCCCCCOc1ccccc1F 7a_100000210171_100000210328 [0,1,1,0,0,0|2,0,0]=4 6116 B17R1.1450 CCCCCCCCCOc1ccccc1I 34a_100000739446_100011214924 [0,1,1,0,0,0|2,0,0]=4 6117 B17R1.1450 CCCCCCCCCOc1ccccc1I 7a_100000739446_100000210328 [0,1,1,0,0,0|2,0,0]=4 6118 B17R1.1450 CCCCCCCCCOc1ccccc1N 34a_100000185747_100011214924 [0,1,1,0,0,0|2,0,0]=4 6119 B17R1.1450 CCCCCCCCCOc1ccccc1N 7a_100000185747_100000210328 [0,1,1,0,0,0|2,0,0]=4 6120 B17R1.1450 CCCCCCCCCSc1ccccc1C 62a_100000210755_100000210670 [0,1,1,0,0,0|2,0,0]=4 6121 B17R1.1450 CCCCCCCCCSc1ccccc1F 62a_100011215700_100000210670 [0,1,1,0,0,0|2,0,0]=4 6122 B17R1.1450 CCCCCCCCCSc1ccccc1N 62a_100000210017_100000210670 [0,1,1,0,0,0|2,0,0]=4 6123 B17R1.1450 CCCCCCCCCSc1ccccc1O 62a_100000739446_100000210670 [0,1,1,0,0,0|2,0,0]=4 6124 B17R1.1450 CCCCCCCCNCc1ccccc1Br 207a_100000229939_100000211189 [0,1,1,0,0,0|2,0,0]=4 6125 B17R1.1450 CCCCCCCCNCc1ccccc1Br 2230a_100000229939_100000184730 [0,1,1,0,0,0|2,0,0]=4 6126 B17R1.1450 CCCCCCCCNCc1ccccc1Br 2230a_100000689332_100000210759 [0,1,1,0,0,0|2,0,0]=4 6127 B17R1.1450 CCCCCCCCNCc1ccccc1Br 270004a_100000229939_100000211189 [0,1,1,0,0,0|2,0,0]=4 6128 B17R1.1450 CCCCCCCCNCc1ccccc1Br 34a_100000229939_100000184730 [0,1,1,0,0,0|2,0,0]=4 6129 B17R1.1450 CCCCCCCCNCc1ccccc1Br 34a_100000689332_100000210759 [0,1,1,0,0,0|2,0,0]=4 6130 B17R1.1450 CCCCCCCCNCc1ccccc1C 207a_100000229939_100000211143 [0,1,1,0,0,0|2,0,0]=4 6131 B17R1.1450 CCCCCCCCNCc1ccccc1C 2230a_100000229939_100000211839 [0,1,1,0,0,0|2,0,0]=4 6132 B17R1.1450 CCCCCCCCNCc1ccccc1C 270004a_100000229939_100000211143 [0,1,1,0,0,0|2,0,0]=4 6133 B17R1.1450 CCCCCCCCNCc1ccccc1C 34a_100000174972_100000210759 [0,1,1,0,0,0|2,0,0]=4 6134 B17R1.1450 CCCCCCCCNCc1ccccc1C 34a_100000229939_100000211839 [0,1,1,0,0,0|2,0,0]=4 6135 B17R1.1450 CCCCCCCCNCc1ccccc1Cl 207a_100000229939_100000210073 [0,1,1,0,0,0|2,0,0]=4 6136 B17R1.1450 CCCCCCCCNCc1ccccc1Cl 2230a_100000174879_100000210759 [0,1,1,0,0,0|2,0,0]=4 6137 B17R1.1450 CCCCCCCCNCc1ccccc1Cl 2230a_100000229939_100000187162 [0,1,1,0,0,0|2,0,0]=4 6138 B17R1.1450 CCCCCCCCNCc1ccccc1Cl 270004a_100000229939_100000210073 [0,1,1,0,0,0|2,0,0]=4 6139 B17R1.1450 CCCCCCCCNCc1ccccc1Cl 34a_100000174879_100000210759 [0,1,1,0,0,0|2,0,0]=4 6140 B17R1.1450 CCCCCCCCNCc1ccccc1Cl 34a_100000229939_100000187162 [0,1,1,0,0,0|2,0,0]=4 6141 B17R1.1450 CCCCCCCCNCc1ccccc1F 207a_100000229939_100000210811 [0,1,1,0,0,0|2,0,0]=4 6142 B17R1.1450 CCCCCCCCNCc1ccccc1F 2230a_100000229939_100000211605 [0,1,1,0,0,0|2,0,0]=4 6143 B17R1.1450 CCCCCCCCNCc1ccccc1F 270004a_100000229939_100000210811 [0,1,1,0,0,0|2,0,0]=4 6144 B17R1.1450 CCCCCCCCNCc1ccccc1F 34a_100000174869_100000210759 [0,1,1,0,0,0|2,0,0]=4 6145 B17R1.1450 CCCCCCCCNCc1ccccc1F 34a_100000229939_100000211605 [0,1,1,0,0,0|2,0,0]=4 6146 B17R1.1450 CCCCCCCCNCc1ccccc1I 207a_100000229939_100000010305 [0,1,1,0,0,0|2,0,0]=4 6147 B17R1.1450 CCCCCCCCNCc1ccccc1I 2230a_100000229939_100011215278 [0,1,1,0,0,0|2,0,0]=4 6148 B17R1.1450 CCCCCCCCNCc1ccccc1I 270004a_100000229939_100000010305 [0,1,1,0,0,0|2,0,0]=4 6149 B17R1.1450 CCCCCCCCNCc1ccccc1I 34a_100000229939_100011215278 [0,1,1,0,0,0|2,0,0]=4 6150 B17R1.1450 CCCCCCCCNCc1ccccc1O 34a_100000185550_100000210759 [0,1,1,0,0,0|2,0,0]=4 6151 B17R1.1450 CCCCCCCCOCc1ccccc1Br 34a_100000210232_100000184730 [0,1,1,0,0,0|2,0,0]=4 6152 B17R1.1450 CCCCCCCCOCc1ccccc1Br 34a_100000756307_100000210759 [0,1,1,0,0,0|2,0,0]=4 6153 B17R1.1450 CCCCCCCCOCc1ccccc1Br 7a_100000210232_100000184730 [0,1,1,0,0,0|2,0,0]=4 6154 B17R1.1450 CCCCCCCCOCc1ccccc1Br 7a_100000756307_100000210759 [0,1,1,0,0,0|2,0,0]=4 6155 B17R1.1450 CCCCCCCCOCc1ccccc1C 34a_100000210232_100000211839 [0,1,1,0,0,0|2,0,0]=4 6156 B17R1.1450 CCCCCCCCOCc1ccccc1C 34a_100000698903_100000210759 [0,1,1,0,0,0|2,0,0]=4 6157 B17R1.1450 CCCCCCCCOCc1ccccc1C 7a_100000210232_100000211839 [0,1,1,0,0,0|2,0,0]=4 6158 B17R1.1450 CCCCCCCCOCc1ccccc1C 7a_100000698903_100000210759 [0,1,1,0,0,0|2,0,0]=4 6159 B17R1.1450 CCCCCCCCOCc1ccccc1Cl 34a_100000210232_100000187162 [0,1,1,0,0,0|2,0,0]=4 6160 B17R1.1450 CCCCCCCCOCc1ccccc1Cl 34a_100000210847_100000210759 [0,1,1,0,0,0|2,0,0]=4 6161 B17R1.1450 CCCCCCCCOCc1ccccc1Cl 7a_100000210232_100000187162 [0,1,1,0,0,0|2,0,0]=4 6162 B17R1.1450 CCCCCCCCOCc1ccccc1Cl 7a_100000210847_100000210759 [0,1,1,0,0,0|2,0,0]=4 6163 B17R1.1450 CCCCCCCCOCc1ccccc1F 34a_100000210232_100000211605 [0,1,1,0,0,0|2,0,0]=4 6164 B17R1.1450 CCCCCCCCOCc1ccccc1F 34a_100000211962_100000210759 [0,1,1,0,0,0|2,0,0]=4 6165 B17R1.1450 CCCCCCCCOCc1ccccc1F 7a_100000210232_100000211605 [0,1,1,0,0,0|2,0,0]=4 6166 B17R1.1450 CCCCCCCCOCc1ccccc1F 7a_100000211962_100000210759 [0,1,1,0,0,0|2,0,0]=4 6167 B17R1.1450 CCCCCCCCOCc1ccccc1I 34a_100000187465_100000210759 [0,1,1,0,0,0|2,0,0]=4 6168 B17R1.1450 CCCCCCCCOCc1ccccc1I 34a_100000210232_100011215278 [0,1,1,0,0,0|2,0,0]=4 6169 B17R1.1450 CCCCCCCCOCc1ccccc1I 7a_100000187465_100000210759 [0,1,1,0,0,0|2,0,0]=4 6170 B17R1.1450 CCCCCCCCOCc1ccccc1I 7a_100000210232_100011215278 [0,1,1,0,0,0|2,0,0]=4 6171 B17R1.1450 CCCCCCCCOCc1ccccc1N 34a_100000212039_100000210759 [0,1,1,0,0,0|2,0,0]=4 6172 B17R1.1450 CCCCCCCCSCc1ccccc1C 62a_100000210759_100000211839 [0,1,1,0,0,0|2,0,0]=4 6173 B17R1.1450 CCCCCCCCSCc1ccccc1C 62a_100000211839_100000210317 [0,1,1,0,0,0|2,0,0]=4 6174 B17R1.1450 CCCCCCCCSCc1ccccc1Cl 62a_100000187162_100000210317 [0,1,1,0,0,0|2,0,0]=4 6175 B17R1.1450 CCCCCCCCSCc1ccccc1Cl 62a_100000210759_100000187162 [0,1,1,0,0,0|2,0,0]=4 6176 B17R1.1450 CCCCCCCCSCc1ccccc1F 62a_100000210759_100000211605 [0,1,1,0,0,0|2,0,0]=4 6177 B17R1.1450 CCCCCCCCSCc1ccccc1F 62a_100000211605_100000210317 [0,1,1,0,0,0|2,0,0]=4 6178 B17R1.1450 CCCCCCCCSCc1ccccc1I 62a_100000210759_100011216222 [0,1,1,0,0,0|2,0,0]=4 6179 B17R1.1450 CCCCCCCCSCc1ccccc1I 62a_100011216222_100000210317 [0,1,1,0,0,0|2,0,0]=4 6180 B17R1.1450 CCCCCCCNCCc1ccccc1Br 2230a_100000229938_100012161201 [0,1,1,0,0,0|0,0,0]=2 6181 B17R1.1450 CCCCCCCNCCc1ccccc1Br 2230a_100000747383_100000210681 [0,1,1,0,0,0|0,0,0]=2 6182 B17R1.1450 CCCCCCCNCCc1ccccc1Br 34a_100000747383_100000210614 [0,1,1,0,0,0|0,0,0]=2 6183 B17R1.1450 CCCCCCCNCCc1ccccc1C 2230a_100000229938_100011713688 [0,1,1,0,0,0|0,0,0]=2 6184 B17R1.1450 CCCCCCCNCCc1ccccc1C 2230a_100000685071_100000210681 [0,1,1,0,0,0|0,0,0]=2 6185 B17R1.1450 CCCCCCCNCCc1ccccc1C 34a_100000685071_100000210614 [0,1,1,0,0,0|0,0,0]=2 6186 B17R1.1450 CCCCCCCNCCc1ccccc1Cl 2230a_100000229938_100011713703 [0,1,1,0,0,0|0,0,0]=2 6187 B17R1.1450 CCCCCCCNCCc1ccccc1Cl 2230a_100011207228_100000210681 [0,1,1,0,0,0|0,0,0]=2 6188 B17R1.1450 CCCCCCCNCCc1ccccc1Cl 270004a_100000229938_200011713468 [0,1,1,0,0,0|0,0,0]=2 6189 B17R1.1450 CCCCCCCNCCc1ccccc1Cl 34a_100011207228_100000210614 [0,1,1,0,0,0|0,0,0]=2 6190 B17R1.1450 CCCCCCCNCCc1ccccc1F 2230a_100000185272_100000210681 [0,1,1,0,0,0|0,0,0]=2 6191 B17R1.1450 CCCCCCCNCCc1ccccc1F 2230a_100000229938_100011713696 [0,1,1,0,0,0|0,0,0]=2 6192 B17R1.1450 CCCCCCCNCCc1ccccc1F 34a_100000185272_100000210614 [0,1,1,0,0,0|0,0,0]=2 6193 B17R1.1450 CCCCCCCNCCc1ccccc1O 34a_100011207237_100000210614 [0,1,1,0,0,0|0,0,0]=2 6194 B17R1.1450 CCCCCCCNCCn1ccccc1=O 2230a_100000687133_100000210681 [0,1,1,0,0,0|1,0,0]=3 6195 B17R1.1450 CCCCCCCOCCc1ccccc1Br 34a_100000210272_100012161201 [0,1,1,0,0,0|1,0,0]=3 6196 B17R1.1450 CCCCCCCOCCc1ccccc1Br 34a_100000731337_100000210614 [0,1,1,0,0,0|1,0,0]=3 6197 B17R1.1450 CCCCCCCOCCc1ccccc1Br 7a_100000210272_100012161201 [0,1,1,0,0,0|1,0,0]=3 6198 B17R1.1450 CCCCCCCOCCc1ccccc1Br 7a_100000731337_100000210614 [0,1,1,0,0,0|1,0,0]=3 6199 B17R1.1450 CCCCCCCOCCc1ccccc1C 34a_100000210272_100011713688 [0,1,1,0,0,0|1,0,0]=3 6200 B17R1.1450 CCCCCCCOCCc1ccccc1C 34a_100011220023_100000210614 [0,1,1,0,0,0|1,0,0]=3 6201 B17R1.1450 CCCCCCCOCCc1ccccc1C 7a_100000210272_100011713688 [0,1,1,0,0,0|1,0,0]=3 6202 B17R1.1450 CCCCCCCOCCc1ccccc1C 7a_100011220023_100000210614 [0,1,1,0,0,0|1,0,0]=3 6203 B17R1.1450 CCCCCCCOCCc1ccccc1Cl 34a_100000210272_100011713703 [0,1,1,0,0,0|1,0,0]=3 6204 B17R1.1450 CCCCCCCOCCc1ccccc1Cl 34a_100011215284_100000210614 [0,1,1,0,0,0|1,0,0]=3 6205 B17R1.1450 CCCCCCCOCCc1ccccc1Cl 7a_100000210272_100011713703 [0,1,1,0,0,0|1,0,0]=3 6206 B17R1.1450 CCCCCCCOCCc1ccccc1Cl 7a_100011215284_100000210614 [0,1,1,0,0,0|1,0,0]=3 6207 B17R1.1450 CCCCCCCOCCc1ccccc1F 34a_100000210272_100000720011 [0,1,1,0,0,0|1,0,0]=3 6208 B17R1.1450 CCCCCCCOCCc1ccccc1F 34a_100000753711_100000210614 [0,1,1,0,0,0|1,0,0]=3 6209 B17R1.1450 CCCCCCCOCCc1ccccc1F 7a_100000210272_100000720011 [0,1,1,0,0,0|1,0,0]=3 6210 B17R1.1450 CCCCCCCOCCc1ccccc1F 7a_100000753711_100000210614 [0,1,1,0,0,0|1,0,0]=3 6211 B17R1.1450 CCCCCCCOCCc1ccccc1I 34a_100010255290_100000210614 [0,1,1,0,0,0|1,0,0]=3 6212 B17R1.1450 CCCCCCCOCCc1ccccc1I 7a_100010255290_100000210614 [0,1,1,0,0,0|1,0,0]=3 6213 B17R1.1450 CCCCCCCOCCc1ccccc1N 34a_100011215289_100000210614 [0,1,1,0,0,0|1,0,0]=3 6214 B17R1.1450 CCCCCCCOCCc1ccccc1O 34a_100000210272_100000722297 [0,1,1,0,0,0|1,0,0]=3 6215 B17R1.1450 CCCCCCCOCCc1ccccc1O 7a_100000210272_100000722297 [0,1,1,0,0,0|1,0,0]=3 6216 B17R1.1450 CCCCCCCOCCc1ncccc1C 34a_100011997706_100000210614 [0,1,1,0,0,0|2,0,0]=4 6217 B17R1.1450 CCCCCCCOCCc1ncccc1C 7a_100011997706_100000210614 [0,1,1,0,0,0|2,0,0]=4 6218 B17R1.1450 CCCCCCCSCCc1ccccc1Br 62a_100000210614_100012161201 [0,1,1,0,0,0|1,0,0]=3 6219 B17R1.1450 CCCCCCCSCCc1ccccc1Br 62a_100012161201_100000210316 [0,1,1,0,0,0|1,0,0]=3 6220 B17R1.1450 CCCCCCCSCCc1ccccc1C 62a_100000210614_100011713688 [0,1,1,0,0,0|1,0,0]=3 6221 B17R1.1450 CCCCCCCSCCc1ccccc1C 62a_100011713688_100000210316 [0,1,1,0,0,0|1,0,0]=3 6222 B17R1.1450 CCCCCCCSCCc1ccccc1Cl 62a_100000210614_100011713703 [0,1,1,0,0,0|1,0,0]=3 6223 B17R1.1450 CCCCCCCSCCc1ccccc1Cl 62a_100011713703_100000210316 [0,1,1,0,0,0|1,0,0]=3 6224 B17R1.1450 CCCCCCCSCCc1ccccc1F 62a_100000210614_100011713696 [0,1,1,0,0,0|1,0,0]=3 6225 B17R1.1450 CCCCCCCSCCc1ccccc1F 62a_100011713696_100000210316 [0,1,1,0,0,0|1,0,0]=3 6226 B17R1.1450 CCCCCCCSCCc1ccccc1O 62a_100000210614_100000722297 [0,1,1,0,0,0|1,0,0]=3 6227 B17R1.1450 CCCCCCCSCCc1ccccc1O 62a_100000722297_100000210316 [0,1,1,0,0,0|1,0,0]=3 6228 B17R1.1450 CCCCCCNCCCc1ccccc1Br 2230a_100000210581_200011713681 [0,1,1,0,0,0|2,0,0]=4 6229 B17R1.1450 CCCCCCNCCCc1ccccc1F 2230a_100000724733_100000210314 [0,1,1,0,0,0|2,0,0]=4 6230 B17R1.1450 CCCCCCNCCCc1ccccc1F 34a_100000724733_100000210314 [0,1,1,0,0,0|2,0,0]=4 6231 B17R1.1450 CCCCCCOCCCc1ccccc1Br 34a_100000210259_200011713681 [0,1,1,0,0,0|2,0,0]=4 6232 B17R1.1450 CCCCCCOCCCc1ccccc1Br 34a_100000699526_100000210314 [0,1,1,0,0,0|2,0,0]=4 6233 B17R1.1450 CCCCCCOCCCc1ccccc1Br 7a_100000210259_200011713681 [0,1,1,0,0,0|2,0,0]=4 6234 B17R1.1450 CCCCCCOCCCc1ccccc1Br 7a_100000699526_100000210314 [0,1,1,0,0,0|2,0,0]=4 6235 B17R1.1450 CCCCCCOCCCc1ccccc1Cl 34a_100011709251_100000210314 [0,1,1,0,0,0|2,0,0]=4 6236 B17R1.1450 CCCCCCOCCCc1ccccc1Cl 7a_100011709251_100000210314 [0,1,1,0,0,0|2,0,0]=4 6237 B17R1.1450 CCCCCCOCCCc1ccccc1F 34a_100011709249_100000210314 [0,1,1,0,0,0|2,0,0]=4 6238 B17R1.1450 CCCCCCOCCCc1ccccc1F 7a_100011709249_100000210314 [0,1,1,0,0,0|2,0,0]=4 6239 B17R1.1450 CCCCCCSCCCc1ccccc1Br 62a_100000210314_200011713681 [0,1,1,0,0,0|2,0,0]=4 6240 B17R1.1450 CCCCCCSCCCc1ccccc1Br 62a_200011713681_100000210757 [0,1,1,0,0,0|2,0,0]=4 6241 B17R1.1450 CCCCCOCCCCc1ccccc1Br 34a_100012092669_100000718602 [0,1,1,0,0,0|2,0,0]=4 6242 B17R1.1450 CCCCCOCCCCc1ccccc1Br 7a_100012092669_100000210326 [0,1,1,0,0,0|2,0,0]=4 6243 B17R1.1450 CCCCOCCNCCc1ccccc1Br 2230a_100000747383_100000743108 [0,1,1,0,0,0|1,0,0]=3 6244 B17R1.1450 CCCCOCCNCCc1ccccc1Br 34a_100000747383_100000743108 [0,1,1,0,0,0|1,0,0]=3 6245 B17R1.1450 CCCCOCCNCCc1ccccc1C 2230a_100000685071_100000743108 [0,1,1,0,0,0|1,0,0]=3 6246 B17R1.1450 CCCCOCCNCCc1ccccc1C 34a_100000685071_100000743108 [0,1,1,0,0,0|1,0,0]=3 6247 B17R1.1450 CCCCOCCNCCc1ccccc1Cl 2230a_100011207228_100000743108 [0,1,1,0,0,0|1,0,0]=3 6248 B17R1.1450 CCCCOCCNCCc1ccccc1Cl 34a_100011207228_100000743108 [0,1,1,0,0,0|1,0,0]=3 6249 B17R1.1450 CCCCOCCNCCc1ccccc1F 2230a_100000185272_100000743108 [0,1,1,0,0,0|1,0,0]=3 6250 B17R1.1450 CCCCOCCNCCc1ccccc1F 34a_100000185272_100000743108 [0,1,1,0,0,0|1,0,0]=3 6251 B17R1.1450 CCCCOCCNCCc1ccccc1O 34a_100011207237_100000743108 [0,1,1,0,0,0|1,0,0]=3 6252 B17R1.1450 CCCCOCCNCCn1ccccc1=O 2230a_100000687133_100000743108 [0,1,1,0,0,0|2,0,0]=4 6253 B17R1.1450 CCCCOCCOCCc1ccccc1Br 34a_100000210238_100012161201 [0,1,1,0,0,0|2,0,0]=4 6254 B17R1.1450 CCCCOCCOCCc1ccccc1Br 34a_100000731337_100000743108 [0,1,1,0,0,0|2,0,0]=4 6255 B17R1.1450 CCCCOCCOCCc1ccccc1Br 7a_100000210238_100012161201 [0,1,1,0,0,0|2,0,0]=4 6256 B17R1.1450 CCCCOCCOCCc1ccccc1Br 7a_100000731337_100000743108 [0,1,1,0,0,0|2,0,0]=4 6257 B17R1.1450 CCCCOCCOCCc1ccccc1C 34a_100000210238_100011713688 [0,1,1,0,0,0|2,0,0]=4 6258 B17R1.1450 CCCCOCCOCCc1ccccc1C 34a_100011220023_100000743108 [0,1,1,0,0,0|2,0,0]=4 6259 B17R1.1450 CCCCOCCOCCc1ccccc1C 7a_100000210238_100011713688 [0,1,1,0,0,0|2,0,0]=4 6260 B17R1.1450 CCCCOCCOCCc1ccccc1C 7a_100011220023_100000743108 [0,1,1,0,0,0|2,0,0]=4 6261 B17R1.1450 CCCCOCCOCCc1ccccc1Cl 34a_100000210238_100011713703 [0,1,1,0,0,0|2,0,0]=4 6262 B17R1.1450 CCCCOCCOCCc1ccccc1Cl 34a_100011215284_100000743108 [0,1,1,0,0,0|2,0,0]=4 6263 B17R1.1450 CCCCOCCOCCc1ccccc1Cl 7a_100000210238_100011713703 [0,1,1,0,0,0|2,0,0]=4 6264 B17R1.1450 CCCCOCCOCCc1ccccc1Cl 7a_100011215284_100000743108 [0,1,1,0,0,0|2,0,0]=4 6265 B17R1.1450 CCCCOCCOCCc1ccccc1F 34a_100000210238_100000720011 [0,1,1,0,0,0|2,0,0]=4 6266 B17R1.1450 CCCCOCCOCCc1ccccc1F 34a_100000753711_100000743108 [0,1,1,0,0,0|2,0,0]=4 6267 B17R1.1450 CCCCOCCOCCc1ccccc1F 7a_100000210238_100000720011 [0,1,1,0,0,0|2,0,0]=4 6268 B17R1.1450 CCCCOCCOCCc1ccccc1F 7a_100000753711_100000743108 [0,1,1,0,0,0|2,0,0]=4 6269 B17R1.1450 CCCCOCCOCCc1ccccc1I 34a_100010255290_100000743108 [0,1,1,0,0,0|2,0,0]=4 6270 B17R1.1450 CCCCOCCOCCc1ccccc1I 7a_100010255290_100000743108 [0,1,1,0,0,0|2,0,0]=4 6271 B17R1.1450 CCCCOCCOCCc1ccccc1N 34a_100011215289_100000743108 [0,1,1,0,0,0|2,0,0]=4 6272 B17R1.1450 CCCCOCCOCCc1ccccc1O 34a_100000210238_100000722297 [0,1,1,0,0,0|2,0,0]=4 6273 B17R1.1450 CCCCOCCOCCc1ccccc1O 7a_100000210238_100000722297 [0,1,1,0,0,0|2,0,0]=4 6274 B17R1.1450 CCCCOCCSCCc1ccccc1Br 62a_100000743108_100012161201 [0,1,1,0,0,0|2,0,0]=4 6275 B17R1.1450 CCCCOCCSCCc1ccccc1Br 62a_100012161201_100000743108 [0,1,1,0,0,0|2,0,0]=4 6276 B17R1.1450 CCCCOCCSCCc1ccccc1C 62a_100000743108_100011713688 [0,1,1,0,0,0|2,0,0]=4 6277 B17R1.1450 CCCCOCCSCCc1ccccc1C 62a_100011713688_100000743108 [0,1,1,0,0,0|2,0,0]=4 6278 B17R1.1450 CCCCOCCSCCc1ccccc1Cl 62a_100000743108_100011713703 [0,1,1,0,0,0|2,0,0]=4 6279 B17R1.1450 CCCCOCCSCCc1ccccc1Cl 62a_100011713703_100000743108 [0,1,1,0,0,0|2,0,0]=4 6280 B17R1.1450 CCCCOCCSCCc1ccccc1F 62a_100000743108_100011713696 [0,1,1,0,0,0|2,0,0]=4 6281 B17R1.1450 CCCCOCCSCCc1ccccc1F 62a_100011713696_100000743108 [0,1,1,0,0,0|2,0,0]=4 6282 B17R1.1450 CCCCOCCSCCc1ccccc1O 62a_100000722297_100000743108 [0,1,1,0,0,0|2,0,0]=4 6283 B17R1.1450 CCCCOCCSCCc1ccccc1O 62a_100000743108_100000722297 [0,1,1,0,0,0|2,0,0]=4 6284 B17R1.1450 CCCCSCCNCCc1ccccc1Br 2230a_100025743550_100012161201 [0,1,1,0,0,0|1,0,0]=3 6285 B17R1.1450 CCCCSCCNCCc1ccccc1C 2230a_100025743550_100011713688 [0,1,1,0,0,0|1,0,0]=3 6286 B17R1.1450 CCCCSCCNCCc1ccccc1Cl 2230a_100025743550_100011713703 [0,1,1,0,0,0|1,0,0]=3 6287 B17R1.1450 CCCCSCCNCCc1ccccc1Cl 270004a_100025743550_200011713468 [0,1,1,0,0,0|1,0,0]=3 6288 B17R1.1450 CCCCSCCNCCc1ccccc1F 2230a_100025743550_100011713696 [0,1,1,0,0,0|1,0,0]=3 6289 B17R1.1450 CCCCSCCOCCc1ccccc1Br 34a_200000230436_100012161201 [0,1,1,0,0,0|2,0,0]=4 6290 B17R1.1450 CCCCSCCOCCc1ccccc1Br 7a_200000230436_100012161201 [0,1,1,0,0,0|2,0,0]=4 6291 B17R1.1450 CCCCSCCOCCc1ccccc1C 34a_200000230436_100011713688 [0,1,1,0,0,0|2,0,0]=4 6292 B17R1.1450 CCCCSCCOCCc1ccccc1C 7a_200000230436_100011713688 [0,1,1,0,0,0|2,0,0]=4 6293 B17R1.1450 CCCCSCCOCCc1ccccc1Cl 34a_200000230436_100011713703 [0,1,1,0,0,0|2,0,0]=4 6294 B17R1.1450 CCCCSCCOCCc1ccccc1Cl 7a_200000230436_100011713703 [0,1,1,0,0,0|2,0,0]=4 6295 B17R1.1450 CCCCSCCOCCc1ccccc1F 34a_200000230436_100000720011 [0,1,1,0,0,0|2,0,0]=4 6296 B17R1.1450 CCCCSCCOCCc1ccccc1F 7a_200000230436_100000720011 [0,1,1,0,0,0|2,0,0]=4 6297 B17R1.1450 CCCCSCCOCCc1ccccc1O 34a_200000230436_100000722297 [0,1,1,0,0,0|2,0,0]=4 6298 B17R1.1450 CCCCSCCOCCc1ccccc1O 7a_200000230436_100000722297 [0,1,1,0,0,0|2,0,0]=4 6299 B17R1.1450 CCCOCCCNCCc1ccccc1Br 2230a_100011217757_100012161201 [0,1,1,0,0,0|1,0,0]=3 6300 B17R1.1450 CCCOCCCNCCc1ccccc1Br 34a_100011217757_100012161201 [0,1,1,0,0,0|1,0,0]=3 6301 B17R1.1450 CCCOCCCNCCc1ccccc1C 2230a_100011217757_100011713688 [0,1,1,0,0,0|1,0,0]=3 6302 B17R1.1450 CCCOCCCNCCc1ccccc1C 34a_100011217757_100011713688 [0,1,1,0,0,0|1,0,0]=3 6303 B17R1.1450 CCCOCCCNCCc1ccccc1Cl 2230a_100011217757_100011713703 [0,1,1,0,0,0|1,0,0]=3 6304 B17R1.1450 CCCOCCCNCCc1ccccc1Cl 270004a_100011217757_200011713468 [0,1,1,0,0,0|1,0,0]=3 6305 B17R1.1450 CCCOCCCNCCc1ccccc1Cl 34a_100011217757_100011713703 [0,1,1,0,0,0|1,0,0]=3 6306 B17R1.1450 CCCOCCCNCCc1ccccc1F 2230a_100011217757_100011713696 [0,1,1,0,0,0|1,0,0]=3 6307 B17R1.1450 CCCOCCCNCCc1ccccc1F 34a_100011217757_100000720011 [0,1,1,0,0,0|1,0,0]=3 6308 B17R1.1450 CCCOCCCNCCc1ccccc1O 34a_100011217757_100000722297 [0,1,1,0,0,0|1,0,0]=3 6309 B17R1.1450 CNCCCCCOCCc1ccccc1Br 34a_100000722520_100012161201 [0,1,1,0,0,0|2,0,0]=4 6310 B17R1.1450 CNCCCCCOCCc1ccccc1C 34a_100000722520_100011713688 [0,1,1,0,0,0|2,0,0]=4 6311 B17R1.1450 CNCCCCCOCCc1ccccc1Cl 34a_100000722520_100011713703 [0,1,1,0,0,0|2,0,0]=4 6312 B17R1.1450 CNCCCCCOCCc1ccccc1F 34a_100000722520_100000720011 [0,1,1,0,0,0|2,0,0]=4 6313 B17R1.1450 CNCCCCCOCCc1ccccc1O 34a_100000722520_100000722297 [0,1,1,0,0,0|2,0,0]=4 6314 B17R1.1450 COCCCCCNCCc1ccccc1Br 2230a_100000747528_100012161201 [0,1,1,0,0,0|1,0,0]=3 6315 B17R1.1450 COCCCCCNCCc1ccccc1Br 34a_100000747528_100012161201 [0,1,1,0,0,0|1,0,0]=3 6316 B17R1.1450 COCCCCCNCCc1ccccc1C 2230a_100000747528_100011713688 [0,1,1,0,0,0|1,0,0]=3 6317 B17R1.1450 COCCCCCNCCc1ccccc1C 34a_100000747528_100011713688 [0,1,1,0,0,0|1,0,0]=3 6318 B17R1.1450 COCCCCCNCCc1ccccc1Cl 2230a_100000747528_100011713703 [0,1,1,0,0,0|1,0,0]=3 6319 B17R1.1450 COCCCCCNCCc1ccccc1Cl 270004a_100000747528_200011713468 [0,1,1,0,0,0|1,0,0]=3 6320 B17R1.1450 COCCCCCNCCc1ccccc1Cl 34a_100000747528_100011713703 [0,1,1,0,0,0|1,0,0]=3 6321 B17R1.1450 COCCCCCNCCc1ccccc1F 2230a_100000747528_100011713696 [0,1,1,0,0,0|1,0,0]=3 6322 B17R1.1450 COCCCCCNCCc1ccccc1F 34a_100000747528_100000720011 [0,1,1,0,0,0|1,0,0]=3 6323 B17R1.1450 COCCCCCNCCc1ccccc1O 34a_100000747528_100000722297 [0,1,1,0,0,0|1,0,0]=3 6324 B17R1.1450 COCCOCCNCCc1ccccc1Br 2230a_100000745349_100012161201 [0,1,1,0,0,0|2,0,0]=4 6325 B17R1.1450 COCCOCCNCCc1ccccc1Br 2230a_100000747383_100000695917 [0,1,1,0,0,0|2,0,0]=4 6326 B17R1.1450 COCCOCCNCCc1ccccc1Br 34a_100000745349_100012161201 [0,1,1,0,0,0|2,0,0]=4 6327 B17R1.1450 COCCOCCNCCc1ccccc1Br 34a_100000747383_100000695917 [0,1,1,0,0,0|2,0,0]=4 6328 B17R1.1450 COCCOCCNCCc1ccccc1C 2230a_100000685071_100000695917 [0,1,1,0,0,0|2,0,0]=4 6329 B17R1.1450 COCCOCCNCCc1ccccc1C 2230a_100000745349_100011713688 [0,1,1,0,0,0|2,0,0]=4 6330 B17R1.1450 COCCOCCNCCc1ccccc1C 34a_100000685071_100000695917 [0,1,1,0,0,0|2,0,0]=4 6331 B17R1.1450 COCCOCCNCCc1ccccc1C 34a_100000745349_100011713688 [0,1,1,0,0,0|2,0,0]=4 6332 B17R1.1450 COCCOCCNCCc1ccccc1Cl 2230a_100000745349_100011713703 [0,1,1,0,0,0|2,0,0]=4 6333 B17R1.1450 COCCOCCNCCc1ccccc1Cl 2230a_100011207228_100000695917 [0,1,1,0,0,0|2,0,0]=4 6334 B17R1.1450 COCCOCCNCCc1ccccc1Cl 270004a_100000745349_200011713468 [0,1,1,0,0,0|2,0,0]=4 6335 B17R1.1450 COCCOCCNCCc1ccccc1Cl 34a_100000745349_100011713703 [0,1,1,0,0,0|2,0,0]=4 6336 B17R1.1450 COCCOCCNCCc1ccccc1Cl 34a_100011207228_100000695917 [0,1,1,0,0,0|2,0,0]=4 6337 B17R1.1450 COCCOCCNCCc1ccccc1F 2230a_100000185272_100000695917 [0,1,1,0,0,0|2,0,0]=4 6338 B17R1.1450 COCCOCCNCCc1ccccc1F 2230a_100000745349_100011713696 [0,1,1,0,0,0|2,0,0]=4 6339 B17R1.1450 COCCOCCNCCc1ccccc1F 34a_100000185272_100000695917 [0,1,1,0,0,0|2,0,0]=4 6340 B17R1.1450 COCCOCCNCCc1ccccc1F 34a_100000745349_100000720011 [0,1,1,0,0,0|2,0,0]=4 6341 B17R1.1450 COCCOCCNCCc1ccccc1O 34a_100000745349_100000722297 [0,1,1,0,0,0|2,0,0]=4 6342 B17R1.1450 COCCOCCNCCc1ccccc1O 34a_100011207237_100000695917 [0,1,1,0,0,0|2,0,0]=4 6343 B17R1.1450 Cc1ccccc1CCNCCCCCC#N 2230a_100000685071_100009813376 [0,1,1,0,0,0|1,0,1]=4 6344 B17R1.1450 Cc1ccccc1CCNCCCCCC=O 2230a_100000685071_100000139337 [0,1,1,0,0,0|1,0,1]=4 6345 B17R1.1450 Cc1ccccc1CCNCCCCCCF 2230a_100000685071_100015922095 [0,1,1,0,0,0|1,0,0]=3 6346 B17R1.1450 Cc1ccccc1CCNCCCCCCF 34a_100000685071_100015922095 [0,1,1,0,0,0|1,0,0]=3 6347 B17R1.1450 Cc1ccccc1CCNCCCCCCO 2230a_100000685071_100000766143 [0,1,1,0,0,0|1,0,0]=3 6348 B17R1.1450 Cc1ccccc1CCNCCCCCCO 2230a_100000686447_100011713688 [0,1,1,0,0,0|1,0,0]=3 6349 B17R1.1450 Cc1ccccc1CCNCCCCCCO 34a_100000685071_100000766143 [0,1,1,0,0,0|1,0,0]=3 6350 B17R1.1450 Cc1ccccc1CCNCCCCCCO 34a_100000686447_100011713688 [0,1,1,0,0,0|1,0,0]=3 6351 B17R1.1450 Cc1ccccc1CCOCCCCCCBr 34a_100011215345_100011713688 [0,1,1,0,0,0|2,0,0]=4 6352 B17R1.1450 Cc1ccccc1CCOCCCCCCBr 7a_100011215345_100011713688 [0,1,1,0,0,0|2,0,0]=4 6353 B17R1.1450 Cc1ccccc1CCOCCCCCCCl 34a_100000766143_100011713688 [0,1,1,0,0,0|2,0,0]=4 6354 B17R1.1450 Cc1ccccc1CCOCCCCCCCl 7a_100000766143_100011713688 [0,1,1,0,0,0|2,0,0]=4 6355 B17R1.1450 Cc1ccccc1CCOCCCCCCF 34a_100000732779_100011713688 [0,1,1,0,0,0|2,0,0]=4 6356 B17R1.1450 Cc1ccccc1CCOCCCCCCF 34a_100011220023_100015922095 [0,1,1,0,0,0|2,0,0]=4 6357 B17R1.1450 Cc1ccccc1CCOCCCCCCF 7a_100000732779_100011713688 [0,1,1,0,0,0|2,0,0]=4 6358 B17R1.1450 Cc1ccccc1CCOCCCCCCF 7a_100011220023_100015922095 [0,1,1,0,0,0|2,0,0]=4 6359 B17R1.1450 Cc1ccccc1CCOCCCCCCN 34a_100000686447_100011713688 [0,1,1,0,0,0|2,0,0]=4 6360 B17R1.1450 Cc1ccccc1CCOCCCCCCO 34a_100011220023_100000766143 [0,1,1,0,0,0|2,0,0]=4 6361 B17R1.1450 Cc1ccccc1CCOCCCCCCO 7a_100011220023_100000766143 [0,1,1,0,0,0|2,0,0]=4 6362 B17R1.1450 Cc1ccccc1CCSCCCCCCF 62a_100011713688_100015922095 [0,1,1,0,0,0|2,0,0]=4 6363 B17R1.1450 Cc1ccccc1CCSCCCCCCF 62a_100015922095_100011713688 [0,1,1,0,0,0|2,0,0]=4 6364 B17R1.1450 Cc1ccccc1CCSCCCCCCO 62a_100000766143_100011713688 [0,1,1,0,0,0|2,0,0]=4 6365 B17R1.1450 Cc1ccccc1CCSCCCCCCO 62a_100011713688_100000766143 [0,1,1,0,0,0|2,0,0]=4 6366 B17R1.1450 ClCCCCCCOCCc1ccccc1Br 34a_100000766143_100012161201 [0,1,1,0,0,0|2,0,0]=4 6367 B17R1.1450 ClCCCCCCOCCc1ccccc1Br 7a_100000766143_100012161201 [0,1,1,0,0,0|2,0,0]=4 6368 B17R1.1450 ClCCCCCCOCCc1ccccc1Cl 34a_100000766143_100011713703 [0,1,1,0,0,0|2,0,0]=4 6369 B17R1.1450 ClCCCCCCOCCc1ccccc1Cl 7a_100000766143_100011713703 [0,1,1,0,0,0|2,0,0]=4 6370 B17R1.1450 Clc1ccccc1CCOCCCCCCBr 34a_100011215345_100011713703 [0,1,1,0,0,0|2,0,0]=4 6371 B17R1.1450 Clc1ccccc1CCOCCCCCCBr 7a_100011215345_100011713703 [0,1,1,0,0,0|2,0,0]=4 6372 B17R1.1450 FCCCCCCNCCc1ccccc1Br 2230a_100000747383_100015922095 [0,1,1,0,0,0|1,0,0]=3 6373 B17R1.1450 FCCCCCCNCCc1ccccc1Br 34a_100000747383_100015922095 [0,1,1,0,0,0|1,0,0]=3 6374 B17R1.1450 FCCCCCCNCCc1ccccc1Cl 2230a_100011207228_100015922095 [0,1,1,0,0,0|1,0,0]=3 6375 B17R1.1450 FCCCCCCNCCc1ccccc1Cl 34a_100011207228_100015922095 [0,1,1,0,0,0|1,0,0]=3 6376 B17R1.1450 FCCCCCCNCCc1ccccc1F 2230a_100000185272_100015922095 [0,1,1,0,0,0|1,0,0]=3 6377 B17R1.1450 FCCCCCCNCCc1ccccc1F 34a_100000185272_100015922095 [0,1,1,0,0,0|1,0,0]=3 6378 B17R1.1450 FCCCCCCOCCc1ccccc1Br 34a_100000731337_100015922095 [0,1,1,0,0,0|2,0,0]=4 6379 B17R1.1450 FCCCCCCOCCc1ccccc1Br 34a_100000732779_100012161201 [0,1,1,0,0,0|2,0,0]=4 6380 B17R1.1450 FCCCCCCOCCc1ccccc1Br 7a_100000731337_100015922095 [0,1,1,0,0,0|2,0,0]=4 6381 B17R1.1450 FCCCCCCOCCc1ccccc1Br 7a_100000732779_100012161201 [0,1,1,0,0,0|2,0,0]=4 6382 B17R1.1450 FCCCCCCOCCc1ccccc1Cl 34a_100000732779_100011713703 [0,1,1,0,0,0|2,0,0]=4 6383 B17R1.1450 FCCCCCCOCCc1ccccc1Cl 34a_100011215284_100015922095 [0,1,1,0,0,0|2,0,0]=4 6384 B17R1.1450 FCCCCCCOCCc1ccccc1Cl 7a_100000732779_100011713703 [0,1,1,0,0,0|2,0,0]=4 6385 B17R1.1450 FCCCCCCOCCc1ccccc1Cl 7a_100011215284_100015922095 [0,1,1,0,0,0|2,0,0]=4 6386 B17R1.1450 FCCCCCCOCCc1ccccc1F 34a_100000732779_100000720011 [0,1,1,0,0,0|2,0,0]=4 6387 B17R1.1450 FCCCCCCOCCc1ccccc1F 34a_100000753711_100015922095 [0,1,1,0,0,0|2,0,0]=4 6388 B17R1.1450 FCCCCCCOCCc1ccccc1F 7a_100000732779_100000720011 [0,1,1,0,0,0|2,0,0]=4 6389 B17R1.1450 FCCCCCCOCCc1ccccc1F 7a_100000753711_100015922095 [0,1,1,0,0,0|2,0,0]=4 6390 B17R1.1450 FCCCCCCOCCc1ccccc1I 34a_100010255290_100015922095 [0,1,1,0,0,0|2,0,0]=4 6391 B17R1.1450 FCCCCCCOCCc1ccccc1I 7a_100010255290_100015922095 [0,1,1,0,0,0|2,0,0]=4 6392 B17R1.1450 FCCCCCCSCCc1ccccc1Br 62a_100012161201_100015922095 [0,1,1,0,0,0|2,0,0]=4 6393 B17R1.1450 FCCCCCCSCCc1ccccc1Br 62a_100015922095_100012161201 [0,1,1,0,0,0|2,0,0]=4 6394 B17R1.1450 FCCCCCCSCCc1ccccc1Cl 62a_100011713703_100015922095 [0,1,1,0,0,0|2,0,0]=4 6395 B17R1.1450 FCCCCCCSCCc1ccccc1Cl 62a_100015922095_100011713703 [0,1,1,0,0,0|2,0,0]=4 6396 B17R1.1450 FCCCCCCSCCc1ccccc1F 62a_100011713696_100015922095 [0,1,1,0,0,0|2,0,0]=4 6397 B17R1.1450 FCCCCCCSCCc1ccccc1F 62a_100015922095_100011713696 [0,1,1,0,0,0|2,0,0]=4 6398 B17R1.1450 Fc1ccccc1CCOCCCCCCBr 34a_100011215345_100000720011 [0,1,1,0,0,0|2,0,0]=4 6399 B17R1.1450 Fc1ccccc1CCOCCCCCCBr 7a_100011215345_100000720011 [0,1,1,0,0,0|2,0,0]=4 6400 B17R1.1450 Fc1ccccc1CCOCCCCCCCl 34a_100000766143_100000720011 [0,1,1,0,0,0|2,0,0]=4 6401 B17R1.1450 Fc1ccccc1CCOCCCCCCCl 7a_100000766143_100000720011 [0,1,1,0,0,0|2,0,0]=4 6402 B17R1.1450 N#CCCCCCNCCc1ccccc1Br 2230a_100000747383_100009813376 [0,1,1,0,0,0|1,0,1]=4 6403 B17R1.1450 N#CCCCCCNCCc1ccccc1Cl 2230a_100011207228_100009813376 [0,1,1,0,0,0|1,0,1]=4 6404 B17R1.1450 N#CCCCCCNCCc1ccccc1Cl 270004a_100000061152_200011713468 [0,1,1,0,0,0|1,0,1]=4 6405 B17R1.1450 N#CCCCCCNCCc1ccccc1F 2230a_100000185272_100009813376 [0,1,1,0,0,0|1,0,1]=4 6406 B17R1.1450 NCCCCCCOCCc1ccccc1Br 34a_100000686447_100012161201 [0,1,1,0,0,0|2,0,0]=4 6407 B17R1.1450 NCCCCCCOCCc1ccccc1Cl 34a_100000686447_100011713703 [0,1,1,0,0,0|2,0,0]=4 6408 B17R1.1450 NCCCCCCOCCc1ccccc1F 34a_100000686447_100000720011 [0,1,1,0,0,0|2,0,0]=4 6409 B17R1.1450 NCCCCCCOCCc1ccccc1O 34a_100000686447_100000722297 [0,1,1,0,0,0|2,0,0]=4 6410 B17R1.1450 Nc1ccccc1CCOCCCCCCF 34a_100011215289_100015922095 [0,1,1,0,0,0|2,0,0]=4 6411 B17R1.1450 Nc1ccccc1CCOCCCCCCO 34a_100011215289_100000766143 [0,1,1,0,0,0|2,0,0]=4 6412 B17R1.1450 O=CCCCCCNCCc1ccccc1Br 2230a_100000747383_100000139337 [0,1,1,0,0,0|1,0,1]=4 6413 B17R1.1450 O=CCCCCCNCCc1ccccc1Cl 2230a_100011207228_100000139337 [0,1,1,0,0,0|1,0,1]=4 6414 B17R1.1450 O=CCCCCCNCCc1ccccc1F 2230a_100000185272_100000139337 [0,1,1,0,0,0|1,0,1]=4 6415 B17R1.1450 O=c1ccccn1CCNCCCCCCF 2230a_100000687133_100015922095 [0,1,1,0,0,0|2,0,0]=4 6416 B17R1.1450 O=c1ccccn1CCNCCCCCCO 2230a_100000687133_100000766143 [0,1,1,0,0,0|2,0,0]=4 6417 B17R1.1450 OCCCCCCNCCc1ccccc1Br 2230a_100000686447_100012161201 [0,1,1,0,0,0|1,0,0]=3 6418 B17R1.1450 OCCCCCCNCCc1ccccc1Br 2230a_100000747383_100000766143 [0,1,1,0,0,0|1,0,0]=3 6419 B17R1.1450 OCCCCCCNCCc1ccccc1Br 34a_100000686447_100012161201 [0,1,1,0,0,0|1,0,0]=3 6420 B17R1.1450 OCCCCCCNCCc1ccccc1Br 34a_100000747383_100000766143 [0,1,1,0,0,0|1,0,0]=3 6421 B17R1.1450 OCCCCCCNCCc1ccccc1Cl 2230a_100000686447_100011713703 [0,1,1,0,0,0|1,0,0]=3 6422 B17R1.1450 OCCCCCCNCCc1ccccc1Cl 2230a_100011207228_100000766143 [0,1,1,0,0,0|1,0,0]=3 6423 B17R1.1450 OCCCCCCNCCc1ccccc1Cl 270004a_100000686447_200011713468 [0,1,1,0,0,0|1,0,0]=3 6424 B17R1.1450 OCCCCCCNCCc1ccccc1Cl 34a_100000686447_100011713703 [0,1,1,0,0,0|1,0,0]=3 6425 B17R1.1450 OCCCCCCNCCc1ccccc1Cl 34a_100011207228_100000766143 [0,1,1,0,0,0|1,0,0]=3 6426 B17R1.1450 OCCCCCCNCCc1ccccc1F 2230a_100000185272_100000766143 [0,1,1,0,0,0|1,0,0]=3 6427 B17R1.1450 OCCCCCCNCCc1ccccc1F 2230a_100000686447_100011713696 [0,1,1,0,0,0|1,0,0]=3 6428 B17R1.1450 OCCCCCCNCCc1ccccc1F 34a_100000185272_100000766143 [0,1,1,0,0,0|1,0,0]=3 6429 B17R1.1450 OCCCCCCNCCc1ccccc1F 34a_100000686447_100000720011 [0,1,1,0,0,0|1,0,0]=3 6430 B17R1.1450 OCCCCCCNCCc1ccccc1O 34a_100000686447_100000722297 [0,1,1,0,0,0|1,0,0]=3 6431 B17R1.1450 OCCCCCCNCCc1ccccc1O 34a_100011207237_100000766143 [0,1,1,0,0,0|1,0,0]=3 6432 B17R1.1450 OCCCCCCOCCc1ccccc1Br 34a_100000731337_100000766143 [0,1,1,0,0,0|2,0,0]=4 6433 B17R1.1450 OCCCCCCOCCc1ccccc1Br 7a_100000731337_100000766143 [0,1,1,0,0,0|2,0,0]=4 6434 B17R1.1450 OCCCCCCOCCc1ccccc1Cl 34a_100011215284_100000766143 [0,1,1,0,0,0|2,0,0]=4 6435 B17R1.1450 OCCCCCCOCCc1ccccc1Cl 7a_100011215284_100000766143 [0,1,1,0,0,0|2,0,0]=4 6436 B17R1.1450 OCCCCCCOCCc1ccccc1F 34a_100000753711_100000766143 [0,1,1,0,0,0|2,0,0]=4 6437 B17R1.1450 OCCCCCCOCCc1ccccc1F 7a_100000753711_100000766143 [0,1,1,0,0,0|2,0,0]=4 6438 B17R1.1450 OCCCCCCOCCc1ccccc1I 34a_100010255290_100000766143 [0,1,1,0,0,0|2,0,0]=4 6439 B17R1.1450 OCCCCCCOCCc1ccccc1I 7a_100010255290_100000766143 [0,1,1,0,0,0|2,0,0]=4 6440 B17R1.1450 OCCCCCCSCCc1ccccc1Br 62a_100000766143_100012161201 [0,1,1,0,0,0|2,0,0]=4 6441 B17R1.1450 OCCCCCCSCCc1ccccc1Br 62a_100012161201_100000766143 [0,1,1,0,0,0|2,0,0]=4 6442 B17R1.1450 OCCCCCCSCCc1ccccc1Cl 62a_100000766143_100011713703 [0,1,1,0,0,0|2,0,0]=4 6443 B17R1.1450 OCCCCCCSCCc1ccccc1Cl 62a_100011713703_100000766143 [0,1,1,0,0,0|2,0,0]=4 6444 B17R1.1450 OCCCCCCSCCc1ccccc1F 62a_100000766143_100011713696 [0,1,1,0,0,0|2,0,0]=4 6445 B17R1.1450 OCCCCCCSCCc1ccccc1F 62a_100011713696_100000766143 [0,1,1,0,0,0|2,0,0]=4 6446 B17R1.1450 OCCCCCCSCCc1ccccc1O 62a_100000722297_100000766143 [0,1,1,0,0,0|2,0,0]=4 6447 B17R1.1450 OCCCCCCSCCc1ccccc1O 62a_100000766143_100000722297 [0,1,1,0,0,0|2,0,0]=4 6448 B17R1.1450 Oc1ccccc1CCNCCCCCCF 34a_100011207237_100015922095 [0,1,1,0,0,0|1,0,0]=3 6449 B17R1.1450 Oc1ccccc1CCOCCCCCCBr 34a_100011215345_100000722297 [0,1,1,0,0,0|2,0,0]=4 6450 B17R1.1450 Oc1ccccc1CCOCCCCCCBr 7a_100011215345_100000722297 [0,1,1,0,0,0|2,0,0]=4 6451 B17R1.1450 Oc1ccccc1CCOCCCCCCCl 34a_100000766143_100000722297 [0,1,1,0,0,0|2,0,0]=4 6452 B17R1.1450 Oc1ccccc1CCOCCCCCCCl 7a_100000766143_100000722297 [0,1,1,0,0,0|2,0,0]=4 6453 B17R1.1450 Oc1ccccc1CCOCCCCCCF 34a_100000732779_100000722297 [0,1,1,0,0,0|2,0,0]=4 6454 B17R1.1450 Oc1ccccc1CCOCCCCCCF 7a_100000732779_100000722297 [0,1,1,0,0,0|2,0,0]=4 6455 B17R1.1450 Oc1ccccc1CCSCCCCCCF 62a_100000722297_100015922095 [0,1,1,0,0,0|2,0,0]=4 6456 B17R1.1450 Oc1ccccc1CCSCCCCCCF 62a_100015922095_100000722297 [0,1,1,0,0,0|2,0,0]=4 6457 B17R1.1559 CCCCC(=O)CCCCCc1ccccc1 1458a_100000210183_200011217138 [0,1,1,0,0,0|1,0,1]=4 6458 B17R1.1559 CCCCC(=O)CCCCCc1ccccc1 1458a_100011216832_100000210211 [0,1,1,0,0,0|1,0,1]=4 6459 B17R1.1559 CCCCC(C)COCCCc1ccccc1 34a_100011995851_100000211621 [0,1,1,0,0,0|2,0,0]=4 6460 B17R1.1559 CCCCC(C)COCCCc1ccccc1 7a_100011995851_100000211621 [0,1,1,0,0,0|2,0,0]=4 6461 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 2230a_100000126638_100000701786 [0,1,1,0,0,0|2,0,0]=4 6462 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 2230a_100015280158_200011215066 [0,1,1,0,0,0|2,0,0]=4 6463 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 270004a_100015280158_100000210087 [0,1,1,0,0,0|2,0,0]=4 6464 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 34a_100015280158_200011215066 [0,1,1,0,0,0|2,0,0]=4 6465 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 34a_100000687866_100000701786 [0,1,1,0,0,0|2,0,0]=4 6466 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 34a_100000703073_200011215066 [0,1,1,0,0,0|2,0,0]=4 6467 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 7a_100000687866_100000701786 [0,1,1,0,0,0|2,0,0]=4 6468 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 7a_100000703073_200011215066 [0,1,1,0,0,0|2,0,0]=4 6469 B17R1.1559 CCCCC(C)SCCCCc1ccccc1 62a_100000701786_200011215066 [0,1,1,0,0,0|2,0,0]=4 6470 B17R1.1559 CCCCC(C)SCCCCc1ccccc1 62a_200011215066_100000701786 [0,1,1,0,0,0|2,0,0]=4 6471 B17R1.1559 CCCCN(C)CCCCCc1ccccc1 2230a_100000207549_200011217138 [0,1,1,0,0,0|2,0,0]=4 6472 B17R1.1559 CCCCN(C)CCCCCc1ccccc1 269982a_100000207549_200011217138 [0,1,1,0,0,0|2,0,0]=4 6473 B17R1.1559 CCCC[C@H](N)COCCCc1ccccc1 34a_100011934283_100000211621 [0,1,1,0,0,0|2,0,0]=4 6474 B17R1.1854 CCCCCC(=NNCCc1ccccc1)C 4a_100000740470_100000211708 [0,1,1,0,0,0|1,0,1]=4 6475 B17R1.1854 CCCCCC(=O)CCCCc1ccccc1 1458a_100000212188_100000701786 [0,1,1,0,0,0|1,0,1]=4 6476 B17R1.1854 CCCCCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210326 [0,1,1,0,0,0|1,0,1]=4 6477 B17R1.1854 CCCCCC(=O)CNCCc1ccccc1 2230a_100000106460_200012276598 [0,1,1,0,0,0|0,0,1]=3 6478 B17R1.1854 CCCCCC(=O)CNCCc1ccccc1 34a_100000106460_200012276598 [0,1,1,0,0,0|0,0,1]=3 6479 B17R1.1854 CCCCCC(=O)CNCCc1cccnc1 2230a_100000736294_200012276598 [0,1,1,0,0,0|1,0,1]=4 6480 B17R1.1854 CCCCCC(=O)COCCc1ccccc1 34a_100000210268_200012276598 [0,1,1,0,0,0|1,0,1]=4 6481 B17R1.1854 CCCCCC(=O)COCCc1ccccc1 7a_100000210268_200012276598 [0,1,1,0,0,0|1,0,1]=4 6482 B17R1.1854 CCCCCC(=O)CSCCc1ccccc1 62a_100000765856_200012276598 [0,1,1,0,0,0|1,0,1]=4 6483 B17R1.1854 CCCCCC(=O)CSCCc1ccccc1 62a_200012276598_100011218657 [0,1,1,0,0,0|1,0,1]=4 6484 B17R1.1854 CCCCCC(=O)NNCCc1ccccc1 22a_100000740470_100000212188 [0,1,1,0,0,0|1,0,1]=4 6485 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 2230a_100000211184_200011218191 [0,1,1,0,0,0|2,0,0]=4 6486 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 2230a_100000211957_100000211621 [0,1,1,0,0,0|2,0,0]=4 6487 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 270004a_100000211184_100000211708 [0,1,1,0,0,0|2,0,0]=4 6488 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 34a_100000211184_200011218191 [0,1,1,0,0,0|2,0,0]=4 6489 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 34a_100000210828_200011218191 [0,1,1,0,0,0|2,0,0]=4 6490 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 34a_100011215632_100000211621 [0,1,1,0,0,0|2,0,0]=4 6491 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 7a_100000210828_200011218191 [0,1,1,0,0,0|2,0,0]=4 6492 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 7a_100011215632_100000211621 [0,1,1,0,0,0|2,0,0]=4 6493 B17R1.1854 CCCCCC(C)SCCCc1ccccc1 62a_100000211621_200011218191 [0,1,1,0,0,0|2,0,0]=4 6494 B17R1.1854 CCCCCC(C)SCCCc1ccccc1 62a_200011218191_100000211621 [0,1,1,0,0,0|2,0,0]=4 6495 B17R1.1854 CCCCCN(C)CCCCc1ccccc1 2230a_100000223495_100000701786 [0,1,1,0,0,0|2,0,0]=4 6496 B17R1.1854 CCCCCN(C)CCCCc1ccccc1 2230a_100000741445_100000210326 [0,1,1,0,0,0|2,0,0]=4 6497 B17R1.1854 CCCCCN(C)CCCCc1ccccc1 269982a_100000223495_100000701786 [0,1,1,0,0,0|2,0,0]=4 6498 B17R1.1854 CCCCCN(C)CCCCc1ccccc1 269982a_100000741445_100000210215 [0,1,1,0,0,0|2,0,0]=4 6499 B17R1.1854 CCCCCN(C)CCCCc1ccccc1 34a_100000741445_100000718602 [0,1,1,0,0,0|2,0,0]=4 6500 B17R1.1854 CCCCNC(=O)CNCCc1ccccc1 2230a_100000106460_100000182744 [0,1,1,0,0,0|1,0,1]=4 6501 B17R1.1854 CCCCNC(=O)CNCCc1ccccc1 34a_100000106460_100000182744 [0,1,1,0,0,0|1,0,1]=4 6502 B17R1.1854 CCCCNC(C)CCCCc1ccccc1 270004a_100000102301_200011485782 [0,1,1,0,0,0|2,0,0]=4 6503 B17R1.1854 CCCCOC(=O)CNCCc1ccccc1 2230a_100000106460_100000211628 [0,1,1,0,0,0|1,0,1]=4 6504 B17R1.1854 CCCCOC(=O)CNCCc1ccccc1 34a_100000106460_100000211628 [0,1,1,0,0,0|1,0,1]=4 6505 B17R1.1854 NCCCC[C@H](N)COCCc1ccccc1 34a_100016993712_100000765856 [0,1,1,0,0,0|2,0,0]=4 6506 B17R1.7823 CCCCCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210757 [0,1,1,0,0,0|1,0,1]=4 6507 B17R1.7823 CCCCCCC(=O)CCCc1ccccc1 1458a_100102632555_100000211621 [0,1,1,0,0,0|1,0,1]=4 6508 B17R1.7823 CCCCCCC(=O)NCCc1ccccc1 11a_100000106460_100102632555 [0,1,1,0,0,0|0,0,1]=3 6509 B17R1.7823 CCCCCCC(=O)NCCc1ccccc1 1626a_100000106460_100102632555 [0,1,1,0,0,0|0,0,1]=3 6510 B17R1.7823 CCCCCCC(=O)NCCc1ccccc1 240690a_100000106460_100102632555 [0,1,1,0,0,0|0,0,1]=3 6511 B17R1.7823 CCCCCCC(=O)NCCc1ccccc1 527a_100000106460_100102632555 [0,1,1,0,0,0|0,0,1]=3 6512 B17R1.7823 CCCCCCC(=O)NCCc1ccccn1 11a_100000211156_100102632555 [0,1,1,0,0,0|1,0,1]=4 6513 B17R1.7823 CCCCCCC(=O)NCCc1ccccn1 1626a_100000211156_100102632555 [0,1,1,0,0,0|1,0,1]=4 6514 B17R1.7823 CCCCCCC(=O)NCCc1ccccn1 240690a_100000211156_100102632555 [0,1,1,0,0,0|1,0,1]=4 6515 B17R1.7823 CCCCCCC(=O)NCCc1ccccn1 527a_100000211156_100102632555 [0,1,1,0,0,0|1,0,1]=4 6516 B17R1.7823 CCCCCCC(=O)NCCc1cccnc1 11a_100000736294_100102632555 [0,1,1,0,0,0|1,0,1]=4 6517 B17R1.7823 CCCCCCC(=O)NCCc1cccnc1 1626a_100000736294_100102632555 [0,1,1,0,0,0|1,0,1]=4 6518 B17R1.7823 CCCCCCC(=O)NCCc1cccnc1 240690a_100000736294_100102632555 [0,1,1,0,0,0|1,0,1]=4 6519 B17R1.7823 CCCCCCC(=O)NCCc1cccnc1 527a_100000736294_100102632555 [0,1,1,0,0,0|1,0,1]=4 6520 B17R1.7823 CCCCCCC(=O)NCCc1ccncc1 11a_100000742849_100102632555 [0,1,1,0,0,0|1,0,1]=4 6521 B17R1.7823 CCCCCCC(=O)NCCc1ccncc1 1626a_100000742849_100102632555 [0,1,1,0,0,0|1,0,1]=4 6522 B17R1.7823 CCCCCCC(=O)NCCc1ccncc1 240690a_100000742849_100102632555 [0,1,1,0,0,0|1,0,1]=4 6523 B17R1.7823 CCCCCCC(=O)NCCc1ccncc1 527a_100000742849_100102632555 [0,1,1,0,0,0|1,0,1]=4 6524 B17R1.7823 CCCCCCC(=O)NNCc1ccccc1 22a_100000007032_100102632555 [0,1,1,0,0,0|1,0,1]=4 6525 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 2230a_100000106460_100011215978 [0,1,1,0,0,0|0,0,0]=2 6526 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 2230a_100000210919_100000765856 [0,1,1,0,0,0|0,0,0]=2 6527 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 270004a_100000106460_100000210826 [0,1,1,0,0,0|0,0,0]=2 6528 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 34a_100000106460_100011215978 [0,1,1,0,0,0|0,0,0]=2 6529 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 34a_100000210919_100000765856 [0,1,1,0,0,0|0,0,0]=2 6530 B17R1.7823 CCCCCCC(C)NCCc1ccccn1 2230a_100000210919_100015183660 [0,1,1,0,0,0|1,0,0]=3 6531 B17R1.7823 CCCCCCC(C)NCCc1ccccn1 270004a_100000211156_100000210826 [0,1,1,0,0,0|1,0,0]=3 6532 B17R1.7823 CCCCCCC(C)NCCc1cccnc1 2230a_100000210919_200011713674 [0,1,1,0,0,0|1,0,0]=3 6533 B17R1.7823 CCCCCCC(C)NCCc1cccnc1 2230a_100000736294_100011215978 [0,1,1,0,0,0|1,0,0]=3 6534 B17R1.7823 CCCCCCC(C)NCCc1cccnc1 270004a_100000736294_100000210826 [0,1,1,0,0,0|1,0,0]=3 6535 B17R1.7823 CCCCCCC(C)NCCc1ccncc1 2230a_100000210919_100000723409 [0,1,1,0,0,0|1,0,0]=3 6536 B17R1.7823 CCCCCCC(C)NCCc1ccncc1 270004a_100000742849_100000210826 [0,1,1,0,0,0|1,0,0]=3 6537 B17R1.7823 CCCCCCC(C)NCCc1cnccn1 270004a_100000723456_100000210826 [0,1,1,0,0,0|2,0,0]=4 6538 B17R1.7823 CCCCCCC(C)NCSc1ccccc1 2230a_100000210919_100011218342 [0,1,1,0,0,0|1,0,0]=3 6539 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 34a_100000210265_100000765856 [0,1,1,0,0,0|1,0,0]=3 6540 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 34a_100000210268_100011215978 [0,1,1,0,0,0|1,0,0]=3 6541 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 7a_100000210265_100000765856 [0,1,1,0,0,0|1,0,0]=3 6542 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 7a_100000210268_100011215978 [0,1,1,0,0,0|1,0,0]=3 6543 B17R1.7823 CCCCCCC(C)OCCc1ccccn1 34a_100000210271_100011215978 [0,1,1,0,0,0|2,0,0]=4 6544 B17R1.7823 CCCCCCC(C)OCCc1ccccn1 7a_100000210265_100015183660 [0,1,1,0,0,0|2,0,0]=4 6545 B17R1.7823 CCCCCCC(C)OCCc1cccnc1 34a_100011217484_100011215978 [0,1,1,0,0,0|2,0,0]=4 6546 B17R1.7823 CCCCCCC(C)OCCc1cccnc1 7a_100000210265_200011713674 [0,1,1,0,0,0|2,0,0]=4 6547 B17R1.7823 CCCCCCC(C)OCCc1ccncc1 34a_100011216225_100011215978 [0,1,1,0,0,0|2,0,0]=4 6548 B17R1.7823 CCCCCCC(C)OCCc1ccncc1 7a_100000210265_100000723409 [0,1,1,0,0,0|2,0,0]=4 6549 B17R1.7823 CCCCCCC(C)SCCc1ccccc1 62a_100000765856_100011215978 [0,1,1,0,0,0|1,0,0]=3 6550 B17R1.7823 CCCCCCC(C)SCCc1ccccc1 62a_100011215978_100011218657 [0,1,1,0,0,0|1,0,0]=3 6551 B17R1.7823 CCCCCCC(C)SCCc1ccccn1 62a_100011215978_100015183660 [0,1,1,0,0,0|2,0,0]=4 6552 B17R1.7823 CCCCCCC(C)SCCc1ccccn1 62a_100015183660_100011215978 [0,1,1,0,0,0|2,0,0]=4 6553 B17R1.7823 CCCCCCC(C)SCCc1cccnc1 62a_100011215978_200011713674 [0,1,1,0,0,0|2,0,0]=4 6554 B17R1.7823 CCCCCCC(C)SCCc1cccnc1 62a_200011713674_100011215978 [0,1,1,0,0,0|2,0,0]=4 6555 B17R1.7823 CCCCCCC(C)SCCc1ccncc1 62a_100000723409_100011215978 [0,1,1,0,0,0|2,0,0]=4 6556 B17R1.7823 CCCCCCC(C)SCCc1ccncc1 62a_100011215978_100000723409 [0,1,1,0,0,0|2,0,0]=4 6557 B17R1.7823 CCCCCCC(C)SCSc1ccccc1 62a_100011215978_100011218342 [0,1,1,0,0,0|2,0,0]=4 6558 B17R1.7823 CCCCCCC(C)SCSc1ccccc1 62a_100011218342_100011215978 [0,1,1,0,0,0|2,0,0]=4 6559 B17R1.7823 CCCCCCN(C)CCCc1ccccc1 2230a_100000693637_100000210314 [0,1,1,0,0,0|2,0,0]=4 6560 B17R1.7823 CCCCCCN(C)CCCc1ccccc1 2230a_106256046315_100000211621 [0,1,1,0,0,0|2,0,0]=4 6561 B17R1.7823 CCCCCCN(C)CCCc1ccccc1 269982a_100000693637_100000210757 [0,1,1,0,0,0|2,0,0]=4 6562 B17R1.7823 CCCCCCN(C)CCCc1ccccc1 269982a_106256046315_100000211621 [0,1,1,0,0,0|2,0,0]=4 6563 B17R1.7823 CCCCCNC(=O)NCCc1ccccc1 2708a_100000106460_100000209983 [0,1,1,0,0,0|1,0,1]=4 6564 B17R1.7823 CCCCCNC(=O)NCCc1ccccc1 2708a_100000209983_100000106460 [0,1,1,0,0,0|1,0,1]=4 6565 B17R1.7823 CCCCCNC(=O)NCCc1ccccc1 273464a_100000106460_100000209983 [0,1,1,0,0,0|1,0,1]=4 6566 B17R1.7823 CCCCCNC(=O)NCCc1ccccc1 273464a_100000209983_100000106460 [0,1,1,0,0,0|1,0,1]=4 6567 B17R1.7823 CCCCCNC(=O)NCCc1ccccc1 512a_100000106460_100000209983 [0,1,1,0,0,0|1,0,1]=4 6568 B17R1.7823 CCCCCNC(=O)NCCc1ccccc1 512a_100000209983_100000106460 [0,1,1,0,0,0|1,0,1]=4 6569 B17R1.7823 CCCCCNC(C)CCCc1ccccc1 2230a_100000209983_200010759516 [0,1,1,0,0,0|2,0,0]=4 6570 B17R1.7823 CCCCCOC(C)CCCc1ccccc1 34a_100000210253_200010759516 [0,1,1,0,0,0|2,0,0]=4 6571 B17R1.7823 CCCCCOC(C)CCCc1ccccc1 7a_100000210253_200010759516 [0,1,1,0,0,0|2,0,0]=4 6572 B17R1.7823 CCCCCSC(C)CCCc1ccccc1 62a_100000210326_200010759516 [0,1,1,0,0,0|2,0,0]=4 6573 B17R1.7823 CCCCCSC(C)CCCc1ccccc1 62a_200010759516_100000210326 [0,1,1,0,0,0|2,0,0]=4 6574 B17R1.7823 CCCCNCC(=O)NCCc1ccccc1 2230a_100000102301_100000183012 [0,1,1,0,0,0|1,0,1]=4 6575 B17R1.7823 CCCCNCC(=O)NCCc1ccccc1 2230a_100000747479_100000210211 [0,1,1,0,0,0|1,0,1]=4 6576 B17R1.7823 CCCCNCC(=O)NCCc1ccccc1 34a_100000747479_100000210210 [0,1,1,0,0,0|1,0,1]=4 6577 B17R1.7823 CCCCNCC(=O)NCCc1ccccc1 7a_106832991798_100000183012 [0,1,1,0,0,0|1,0,1]=4 6578 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 11a_100000106460_100000757543 [0,1,1,0,0,0|1,0,1]=4 6579 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 1626a_100000106460_100000757543 [0,1,1,0,0,0|1,0,1]=4 6580 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 240690a_100000106460_100000757543 [0,1,1,0,0,0|1,0,1]=4 6581 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 34a_100000210227_100000183012 [0,1,1,0,0,0|1,0,1]=4 6582 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 527a_100000106460_100000757543 [0,1,1,0,0,0|1,0,1]=4 6583 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 7a_100000210227_100000183012 [0,1,1,0,0,0|1,0,1]=4 6584 B17R1.7823 CCCCOCC(C)OCCc1ccccc1 34a_100011217071_100000765856 [0,1,1,0,0,0|2,0,0]=4 6585 B17R1.7823 CCCCOCC(C)OCCc1ccccc1 7a_100011217071_100000765856 [0,1,1,0,0,0|2,0,0]=4 6586 B17R1.7823 CCCCSCC(=O)NCCc1ccccc1 11a_100000106460_100000191162 [0,1,1,0,0,0|1,0,1]=4 6587 B17R1.7823 CCCCSCC(=O)NCCc1ccccc1 1626a_100000106460_100000191162 [0,1,1,0,0,0|1,0,1]=4 6588 B17R1.7823 CCCCSCC(=O)NCCc1ccccc1 240690a_100000106460_100000191162 [0,1,1,0,0,0|1,0,1]=4 6589 B17R1.7823 CCCCSCC(=O)NCCc1ccccc1 527a_100000106460_100000191162 [0,1,1,0,0,0|1,0,1]=4 6590 B17R1.7823 CCCCSCC(=O)NCCc1ccccc1 62a_100000183012_100000210210 [0,1,1,0,0,0|1,0,1]=4 6591 B17R1.7823 CCCCSCC(=O)NCCc1ccccc1 62a_100000210211_100000183012 [0,1,1,0,0,0|1,0,1]=4 6592 B17R1.7823 O=C(CCCCCO)NCCc1ccccc1 240690a_100000106460_100102619762 [0,1,1,0,0,0|1,0,1]=4 6593 B17R1.4 CC(CCCC#N)NCCc1ccc(cc1)Br 270004a_100000755846_200000032708 [0,1,1,0,0,0|1,0,1]=4 6594 B17R1.4 CC(CCCC#N)NCCc1ccc(cc1)Cl 270004a_100000185265_200000032708 [0,1,1,0,0,0|1,0,1]=4 6595 B17R1.4 CC(CCCC#N)NCCc1ccc(cc1)F 270004a_100000199005_200000032708 [0,1,1,0,0,0|1,0,1]=4 6596 B17R1.4 CC(CCCC#N)NCCc1ccc(cc1)O 270004a_100000743037_200000032708 [0,1,1,0,0,0|1,0,1]=4 6597 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100000212188 [0,1,1,0,0,0|1,0,1]=4 6598 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100000212188 [0,1,1,0,0,0|1,0,1]=4 6599 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100000212188 [0,1,1,0,0,0|1,0,1]=4 6600 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100000212188 [0,1,1,0,0,0|1,0,1]=4 6601 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)C 11a_100000705350_100000212188 [0,1,1,0,0,0|1,0,1]=4 6602 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100000212188 [0,1,1,0,0,0|1,0,1]=4 6603 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100000212188 [0,1,1,0,0,0|1,0,1]=4 6604 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)C 527a_100000705350_100000212188 [0,1,1,0,0,0|1,0,1]=4 6605 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100000212188 [0,1,1,0,0,0|1,0,1]=4 6606 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100000212188 [0,1,1,0,0,0|1,0,1]=4 6607 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100000212188 [0,1,1,0,0,0|1,0,1]=4 6608 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100000212188 [0,1,1,0,0,0|1,0,1]=4 6609 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)F 11a_100000199005_100000212188 [0,1,1,0,0,0|1,0,1]=4 6610 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100000212188 [0,1,1,0,0,0|1,0,1]=4 6611 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100000212188 [0,1,1,0,0,0|1,0,1]=4 6612 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)F 527a_100000199005_100000212188 [0,1,1,0,0,0|1,0,1]=4 6613 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100000212188 [0,1,1,0,0,0|1,0,1]=4 6614 B17R1.4 CCCCCC(=O)NCCc1ccc(cc1)O 527a_100000743037_100000212188 [0,1,1,0,0,0|1,0,1]=4 6615 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 2230a_100000211957_100011740612 [0,1,1,0,0,0|0,0,0]=2 6616 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_200011218191 [0,1,1,0,0,0|0,0,0]=2 6617 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000211708 [0,1,1,0,0,0|0,0,0]=2 6618 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 34a_100000755846_200011218191 [0,1,1,0,0,0|0,0,0]=2 6619 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 2230a_100000211957_100011713686 [0,1,1,0,0,0|0,0,0]=2 6620 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 2230a_100000705350_200011218191 [0,1,1,0,0,0|0,0,0]=2 6621 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000211708 [0,1,1,0,0,0|0,0,0]=2 6622 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 34a_100000705350_200011218191 [0,1,1,0,0,0|0,0,0]=2 6623 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_200011218191 [0,1,1,0,0,0|0,0,0]=2 6624 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 2230a_100000211957_100011713675 [0,1,1,0,0,0|0,0,0]=2 6625 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000211708 [0,1,1,0,0,0|0,0,0]=2 6626 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_200011218191 [0,1,1,0,0,0|0,0,0]=2 6627 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 2230a_100000199005_200011218191 [0,1,1,0,0,0|0,0,0]=2 6628 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 2230a_100000211957_100011217392 [0,1,1,0,0,0|0,0,0]=2 6629 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000211708 [0,1,1,0,0,0|0,0,0]=2 6630 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 34a_100000199005_200011218191 [0,1,1,0,0,0|0,0,0]=2 6631 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)O 2230a_100000211957_100009816426 [0,1,1,0,0,0|0,0,0]=2 6632 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000211708 [0,1,1,0,0,0|0,0,0]=2 6633 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)O 34a_100000743037_200011218191 [0,1,1,0,0,0|0,0,0]=2 6634 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 34a_100000766406_200011218191 [0,1,1,0,0,0|1,0,0]=3 6635 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 34a_100011215632_100011740612 [0,1,1,0,0,0|1,0,0]=3 6636 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 7a_100000766406_200011218191 [0,1,1,0,0,0|1,0,0]=3 6637 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 7a_100011215632_100011740612 [0,1,1,0,0,0|1,0,0]=3 6638 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 34a_100000756670_200011218191 [0,1,1,0,0,0|1,0,0]=3 6639 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 34a_100011215632_100011713686 [0,1,1,0,0,0|1,0,0]=3 6640 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 7a_100000756670_200011218191 [0,1,1,0,0,0|1,0,0]=3 6641 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 7a_100011215632_100011713686 [0,1,1,0,0,0|1,0,0]=3 6642 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 34a_100011215632_100011713675 [0,1,1,0,0,0|1,0,0]=3 6643 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_200011218191 [0,1,1,0,0,0|1,0,0]=3 6644 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 7a_100011215632_100011713675 [0,1,1,0,0,0|1,0,0]=3 6645 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_200011218191 [0,1,1,0,0,0|1,0,0]=3 6646 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 34a_100000754732_200011218191 [0,1,1,0,0,0|1,0,0]=3 6647 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 34a_100011215632_100011217392 [0,1,1,0,0,0|1,0,0]=3 6648 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 7a_100000754732_200011218191 [0,1,1,0,0,0|1,0,0]=3 6649 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 7a_100011215632_100011217392 [0,1,1,0,0,0|1,0,0]=3 6650 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)I 34a_100012291149_200011218191 [0,1,1,0,0,0|1,0,0]=3 6651 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)I 7a_100012291149_200011218191 [0,1,1,0,0,0|1,0,0]=3 6652 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)N 34a_100011204434_200011218191 [0,1,1,0,0,0|1,0,0]=3 6653 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)O 7a_100011215632_100009816426 [0,1,1,0,0,0|1,0,0]=3 6654 B17R1.4 CCCCCC(C)OCCc1ccc(cn1)Br 34a_100012357577_200011218191 [0,1,1,0,0,0|2,0,0]=4 6655 B17R1.4 CCCCCC(C)OCCc1ccc(nc1)C 34a_100011815783_200011218191 [0,1,1,0,0,0|2,0,0]=4 6656 B17R1.4 CCCCCC(C)OCCc1ccc(nc1)Cl 34a_100009880866_200011218191 [0,1,1,0,0,0|2,0,0]=4 6657 B17R1.4 CCCCCC(C)OCCc1ccc(nc1)Cl 7a_100009880866_200011218191 [0,1,1,0,0,0|2,0,0]=4 6658 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)Br 62a_100011740612_200011218191 [0,1,1,0,0,0|1,0,0]=3 6659 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)Br 62a_200011218191_100011740612 [0,1,1,0,0,0|1,0,0]=3 6660 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)C 62a_100011713686_200011218191 [0,1,1,0,0,0|1,0,0]=3 6661 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)C 62a_200011218191_100011713686 [0,1,1,0,0,0|1,0,0]=3 6662 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_200011218191 [0,1,1,0,0,0|1,0,0]=3 6663 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)Cl 62a_200011218191_100011713675 [0,1,1,0,0,0|1,0,0]=3 6664 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)F 62a_100011217392_200011218191 [0,1,1,0,0,0|1,0,0]=3 6665 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)F 62a_200011218191_100011217392 [0,1,1,0,0,0|1,0,0]=3 6666 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)O 62a_100009816426_200011218191 [0,1,1,0,0,0|1,0,0]=3 6667 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)O 62a_200011218191_100009816426 [0,1,1,0,0,0|1,0,0]=3 6668 B17R1.4 CCCCCN(C)CCCc1ccc(cc1)Br 2230a_100000223495_100011713682 [0,1,1,0,0,0|2,0,0]=4 6669 B17R1.4 CCCCCN(C)CCCc1ccc(cc1)Br 269982a_100000223495_100011713682 [0,1,1,0,0,0|2,0,0]=4 6670 B17R1.4 CCCCCN(C)CCCc1ccc(cc1)Cl 2230a_100000223495_100000759440 [0,1,1,0,0,0|2,0,0]=4 6671 B17R1.4 CCCCCN(C)CCCc1ccc(cc1)Cl 269982a_100000223495_100000759440 [0,1,1,0,0,0|2,0,0]=4 6672 B17R1.4 CCCCCN(C)CCCc1ccc(cc1)F 2230a_100000223495_200011713563 [0,1,1,0,0,0|2,0,0]=4 6673 B17R1.4 CCCCCN(C)CCCc1ccc(cc1)F 269982a_100000223495_200011713563 [0,1,1,0,0,0|2,0,0]=4 6674 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011343953 [0,1,1,0,0,0|1,0,0]=3 6675 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011343953 [0,1,1,0,0,0|1,0,0]=3 6676 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011343953 [0,1,1,0,0,0|1,0,0]=3 6677 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011343953 [0,1,1,0,0,0|1,0,0]=3 6678 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011343953 [0,1,1,0,0,0|1,0,0]=3 6679 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_200011216536 [0,1,1,0,0,0|1,0,0]=3 6680 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_200011216536 [0,1,1,0,0,0|1,0,0]=3 6681 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_200011216536 [0,1,1,0,0,0|1,0,0]=3 6682 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_200011216536 [0,1,1,0,0,0|1,0,0]=3 6683 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_200011216536 [0,1,1,0,0,0|1,0,0]=3 6684 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Br 34a_200011539412_100011740612 [0,1,1,0,0,0|2,0,0]=4 6685 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Br 7a_200011539412_100011740612 [0,1,1,0,0,0|2,0,0]=4 6686 B17R1.4 COCCCC(C)OCCc1ccc(cc1)C 34a_200011539412_100011713686 [0,1,1,0,0,0|2,0,0]=4 6687 B17R1.4 COCCCC(C)OCCc1ccc(cc1)C 7a_200011539412_100011713686 [0,1,1,0,0,0|2,0,0]=4 6688 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Cl 34a_200011539412_100011713675 [0,1,1,0,0,0|2,0,0]=4 6689 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Cl 7a_200011539412_100011713675 [0,1,1,0,0,0|2,0,0]=4 6690 B17R1.4 COCCCC(C)OCCc1ccc(cc1)F 34a_200011539412_100011217392 [0,1,1,0,0,0|2,0,0]=4 6691 B17R1.4 COCCCC(C)OCCc1ccc(cc1)F 7a_200011539412_100011217392 [0,1,1,0,0,0|2,0,0]=4 6692 B17R1.4 COCCCC(C)OCCc1ccc(cc1)O 7a_200011539412_100009816426 [0,1,1,0,0,0|2,0,0]=4 6693 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011399439 [0,1,1,0,0,0|1,0,0]=3 6694 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011399439 [0,1,1,0,0,0|1,0,0]=3 6695 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011399439 [0,1,1,0,0,0|1,0,0]=3 6696 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011399439 [0,1,1,0,0,0|1,0,0]=3 6697 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011399439 [0,1,1,0,0,0|1,0,0]=3 6698 B17R1.4 Cc1ccc(cc1)CCNC(C)CCCC#N 270004a_100000705350_200000032708 [0,1,1,0,0,0|1,0,1]=4 6699 B17R1.1299 CC(CCCC#N)NCC(C)c1ccccc1 270004a_100000701038_200000032708 [0,1,1,0,0,0|1,0,1]=4 6700 B17R1.1299 CC(CCCC#N)NCC(O)c1ccccc1 270004a_100000210709_200000032708 [0,1,1,0,0,0|1,0,1]=4 6701 B17R1.1299 CCCCCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000212188 [0,1,1,0,0,0|1,0,1]=4 6702 B17R1.1299 CCCCCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000212188 [0,1,1,0,0,0|1,0,1]=4 6703 B17R1.1299 CCCCCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000212188 [0,1,1,0,0,0|1,0,1]=4 6704 B17R1.1299 CCCCCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000212188 [0,1,1,0,0,0|1,0,1]=4 6705 B17R1.1299 CCCCCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000212188 [0,1,1,0,0,0|1,0,1]=4 6706 B17R1.1299 CCCCCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000212188 [0,1,1,0,0,0|1,0,1]=4 6707 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 2230a_100000211957_100000756946 [0,1,1,0,0,0|0,0,0]=2 6708 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 2230a_100000701038_200011218191 [0,1,1,0,0,0|0,0,0]=2 6709 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 270004a_100000211957_100000212034 [0,1,1,0,0,0|0,0,0]=2 6710 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000211708 [0,1,1,0,0,0|0,0,0]=2 6711 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 34a_100000701038_200011218191 [0,1,1,0,0,0|0,0,0]=2 6712 B17R1.1299 CCCCCC(C)NCC(O)c1ccccc1 2230a_100000210709_200011218191 [0,1,1,0,0,0|0,0,0]=2 6713 B17R1.1299 CCCCCC(C)NCC(O)c1ccccc1 2230a_100000211957_100000185958 [0,1,1,0,0,0|0,0,0]=2 6714 B17R1.1299 CCCCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000211708 [0,1,1,0,0,0|0,0,0]=2 6715 B17R1.1299 CCCCCC(C)NCC(O)c1ccccn1 2230a_100000691469_200011218191 [0,1,1,0,0,0|1,0,0]=3 6716 B17R1.1299 CCCCCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000211708 [0,1,1,0,0,0|1,0,0]=3 6717 B17R1.1299 CCCCCC(C)NCC(O)c1cccnc1 2230a_100020605170_200011218191 [0,1,1,0,0,0|1,0,0]=3 6718 B17R1.1299 CCCCCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000211708 [0,1,1,0,0,0|1,0,0]=3 6719 B17R1.1299 CCCCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000211957_100011933945 [0,1,1,0,0,0|0,0,0]=2 6720 B17R1.1299 CCCCCC(C)OCC(=O)c1ccccc1 7a_100011215632_100000211460 [0,1,1,0,0,0|1,0,1]=4 6721 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 34a_100011215166_200011218191 [0,1,1,0,0,0|1,0,0]=3 6722 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 34a_100011215632_100000756946 [0,1,1,0,0,0|1,0,0]=3 6723 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 7a_100011215166_200011218191 [0,1,1,0,0,0|1,0,0]=3 6724 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 7a_100011215632_100000756946 [0,1,1,0,0,0|1,0,0]=3 6725 B17R1.1299 CCCCCC(C)OCC(O)c1ccccc1 34a_100011215632_100000185958 [0,1,1,0,0,0|1,0,0]=3 6726 B17R1.1299 CCCCCC(C)OCC(O)c1ccccc1 7a_100011215632_100000185958 [0,1,1,0,0,0|1,0,0]=3 6727 B17R1.1299 CCCCCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_200011218191 [0,1,1,0,0,0|1,0,0]=3 6728 B17R1.1299 CCCCCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_200011218191 [0,1,1,0,0,0|2,0,0]=4 6729 B17R1.1299 CCCCCC(C)OC[C@@H](O)c1ccccc1 34a_100011215632_100011933945 [0,1,1,0,0,0|1,0,0]=3 6730 B17R1.1299 CCCCCC(C)OC[C@@H](O)c1ccccc1 7a_100011215632_100011933945 [0,1,1,0,0,0|1,0,0]=3 6731 B17R1.1299 CCCCCC(C)SCC(=O)c1ccccc1 62a_100000211460_200011218191 [0,1,1,0,0,0|1,0,1]=4 6732 B17R1.1299 CCCCCC(C)SCC(=O)c1ccccc1 62a_200011218191_100000211460 [0,1,1,0,0,0|1,0,1]=4 6733 B17R1.1299 CCCCCC(C)SCC(C)c1ccccc1 62a_100000756946_200011218191 [0,1,1,0,0,0|1,0,0]=3 6734 B17R1.1299 CCCCCC(C)SCC(C)c1ccccc1 62a_200011218191_100000756946 [0,1,1,0,0,0|1,0,0]=3 6735 B17R1.1299 CCCCCC(C)SCC(O)c1ccccc1 62a_100000185958_200011218191 [0,1,1,0,0,0|1,0,0]=3 6736 B17R1.1299 CCCCCC(C)SCC(O)c1ccccc1 62a_200011218191_100000185958 [0,1,1,0,0,0|1,0,0]=3 6737 B17R1.1299 CCCCCC(C)SCS(=O)c1ccccc1 62a_200011218191_100000031784 [0,1,1,0,0,0|2,0,0]=4 6738 B17R1.1299 CCCCCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_200011218191 [0,1,1,0,0,0|1,0,0]=3 6739 B17R1.1299 CCCCCC(C)SC[C@@H](O)c1ccccc1 62a_200011218191_100011933945 [0,1,1,0,0,0|1,0,0]=3 6740 B17R1.1299 CCCCCN(C)CCC(C)c1ccccc1 270004a_100000223495_100000189432 [0,1,1,0,0,0|2,0,0]=4 6741 B17R1.1299 CCCCCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210326 [0,1,1,0,0,0|2,0,0]=4 6742 B17R1.1299 CCCCCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000210215 [0,1,1,0,0,0|2,0,0]=4 6743 B17R1.1299 CCCCCN(C)CC[C@@H](O)c1ccccc1 2230a_100000223495_100000729684 [0,1,1,0,0,0|2,0,0]=4 6744 B17R1.1299 CCCCCN(C)CC[C@@H](O)c1ccccc1 269982a_100000223495_100000729684 [0,1,1,0,0,0|2,0,0]=4 6745 B17R1.1299 CCCSCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011343953 [0,1,1,0,0,0|1,0,0]=3 6746 B17R1.1299 CCCSCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011343953 [0,1,1,0,0,0|1,0,0]=3 6747 B17R1.1299 CCCSCC(C)NCC(O)c1ccccn1 270004a_100000691469_100011343953 [0,1,1,0,0,0|2,0,0]=4 6748 B17R1.1299 CCCSCC(C)NCC(O)c1cccnc1 270004a_100020605170_100011343953 [0,1,1,0,0,0|2,0,0]=4 6749 B17R1.1299 CCOCCC(C)NCC(C)c1ccccc1 270004a_100000701038_200011216536 [0,1,1,0,0,0|1,0,0]=3 6750 B17R1.1299 CCOCCC(C)NCC(O)c1ccccc1 270004a_100000210709_200011216536 [0,1,1,0,0,0|1,0,0]=3 6751 B17R1.1299 CCOCCC(C)NCC(O)c1ccccn1 270004a_100000691469_200011216536 [0,1,1,0,0,0|2,0,0]=4 6752 B17R1.1299 CCOCCC(C)NCC(O)c1cccnc1 270004a_100020605170_200011216536 [0,1,1,0,0,0|2,0,0]=4 6753 B17R1.1299 COCCCC(C)OCC(C)c1ccccc1 34a_200011539412_100000756946 [0,1,1,0,0,0|2,0,0]=4 6754 B17R1.1299 COCCCC(C)OCC(C)c1ccccc1 7a_200011539412_100000756946 [0,1,1,0,0,0|2,0,0]=4 6755 B17R1.1299 COCCCC(C)OCC(O)c1ccccc1 34a_200011539412_100000185958 [0,1,1,0,0,0|2,0,0]=4 6756 B17R1.1299 COCCCC(C)OCC(O)c1ccccc1 7a_200011539412_100000185958 [0,1,1,0,0,0|2,0,0]=4 6757 B17R1.1299 COCCCC(C)OC[C@@H](O)c1ccccc1 34a_200011539412_100011933945 [0,1,1,0,0,0|2,0,0]=4 6758 B17R1.1299 COCCCC(C)OC[C@@H](O)c1ccccc1 7a_200011539412_100011933945 [0,1,1,0,0,0|2,0,0]=4 6759 B17R1.1299 CSCCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011399439 [0,1,1,0,0,0|1,0,0]=3 6760 B17R1.1299 CSCCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011399439 [0,1,1,0,0,0|1,0,0]=3 6761 B17R1.1299 CSCCCC(C)NCC(O)c1ccccn1 270004a_100000691469_100011399439 [0,1,1,0,0,0|2,0,0]=4 6762 B17R1.1299 CSCCCC(C)NCC(O)c1cccnc1 270004a_100020605170_100011399439 [0,1,1,0,0,0|2,0,0]=4 6763 B17R1.1832 CC(CCCC#N)NCCc1cccc(c1)Br 270004a_100011207229_200000032708 [0,1,1,0,0,0|1,0,1]=4 6764 B17R1.1832 CC(CCCC#N)NCCc1cccc(c1)Cl 270004a_100000185263_200000032708 [0,1,1,0,0,0|1,0,1]=4 6765 B17R1.1832 CC(CCCC#N)NCCc1cccc(c1)F 270004a_100000205154_200000032708 [0,1,1,0,0,0|1,0,1]=4 6766 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Br 11a_100011207229_100000212188 [0,1,1,0,0,0|1,0,1]=4 6767 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100000212188 [0,1,1,0,0,0|1,0,1]=4 6768 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100000212188 [0,1,1,0,0,0|1,0,1]=4 6769 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Br 527a_100011207229_100000212188 [0,1,1,0,0,0|1,0,1]=4 6770 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)C 11a_100000749837_100000212188 [0,1,1,0,0,0|1,0,1]=4 6771 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)C 1626a_100000749837_100000212188 [0,1,1,0,0,0|1,0,1]=4 6772 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)C 240690a_100000749837_100000212188 [0,1,1,0,0,0|1,0,1]=4 6773 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)C 527a_100000749837_100000212188 [0,1,1,0,0,0|1,0,1]=4 6774 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100000212188 [0,1,1,0,0,0|1,0,1]=4 6775 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100000212188 [0,1,1,0,0,0|1,0,1]=4 6776 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100000212188 [0,1,1,0,0,0|1,0,1]=4 6777 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100000212188 [0,1,1,0,0,0|1,0,1]=4 6778 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)F 11a_100000205154_100000212188 [0,1,1,0,0,0|1,0,1]=4 6779 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)F 1626a_100000205154_100000212188 [0,1,1,0,0,0|1,0,1]=4 6780 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)F 240690a_100000205154_100000212188 [0,1,1,0,0,0|1,0,1]=4 6781 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)F 527a_100000205154_100000212188 [0,1,1,0,0,0|1,0,1]=4 6782 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)O 240690a_100000747277_100000212188 [0,1,1,0,0,0|1,0,1]=4 6783 B17R1.1832 CCCCCC(=O)NCCc1cccc(c1)O 527a_100000747277_100000212188 [0,1,1,0,0,0|1,0,1]=4 6784 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 2230a_100000211957_100011740638 [0,1,1,0,0,0|0,0,0]=2 6785 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 2230a_100011207229_200011218191 [0,1,1,0,0,0|0,0,0]=2 6786 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000211708 [0,1,1,0,0,0|0,0,0]=2 6787 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 34a_100011207229_200011218191 [0,1,1,0,0,0|0,0,0]=2 6788 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 2230a_100000211957_100011713685 [0,1,1,0,0,0|0,0,0]=2 6789 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 2230a_100000749837_200011218191 [0,1,1,0,0,0|0,0,0]=2 6790 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100000211708 [0,1,1,0,0,0|0,0,0]=2 6791 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 34a_100000749837_200011218191 [0,1,1,0,0,0|0,0,0]=2 6792 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_200011218191 [0,1,1,0,0,0|0,0,0]=2 6793 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 2230a_100000211957_100011713710 [0,1,1,0,0,0|0,0,0]=2 6794 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000211708 [0,1,1,0,0,0|0,0,0]=2 6795 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 34a_100000185263_200011218191 [0,1,1,0,0,0|0,0,0]=2 6796 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 2230a_100000205154_200011218191 [0,1,1,0,0,0|0,0,0]=2 6797 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 2230a_100000211957_100011217235 [0,1,1,0,0,0|0,0,0]=2 6798 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000211708 [0,1,1,0,0,0|0,0,0]=2 6799 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 34a_100000205154_200011218191 [0,1,1,0,0,0|0,0,0]=2 6800 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)O 2230a_100000747277_200011218191 [0,1,1,0,0,0|0,0,0]=2 6801 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)O 34a_100000747277_200011218191 [0,1,1,0,0,0|0,0,0]=2 6802 B17R1.1832 CCCCCC(C)NCCc1cccc(n1)C 2230a_100011824523_200011218191 [0,1,1,0,0,0|1,0,0]=3 6803 B17R1.1832 CCCCCC(C)NCCc1cccc(n1)C 270004a_100011824523_100000211708 [0,1,1,0,0,0|1,0,0]=3 6804 B17R1.1832 CCCCCC(C)NCCc1cccc(n1)C 34a_100011824523_200011218191 [0,1,1,0,0,0|1,0,0]=3 6805 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 34a_100011215632_100011740638 [0,1,1,0,0,0|1,0,0]=3 6806 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 34a_100011217444_200011218191 [0,1,1,0,0,0|1,0,0]=3 6807 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 7a_100011215632_100011740638 [0,1,1,0,0,0|1,0,0]=3 6808 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 7a_100011217444_200011218191 [0,1,1,0,0,0|1,0,0]=3 6809 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 34a_100011215632_100011713685 [0,1,1,0,0,0|1,0,0]=3 6810 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 34a_100011217157_200011218191 [0,1,1,0,0,0|1,0,0]=3 6811 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 7a_100011215632_100011713685 [0,1,1,0,0,0|1,0,0]=3 6812 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 7a_100011217157_200011218191 [0,1,1,0,0,0|1,0,0]=3 6813 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 34a_100000754733_200011218191 [0,1,1,0,0,0|1,0,0]=3 6814 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 34a_100011215632_100011713710 [0,1,1,0,0,0|1,0,0]=3 6815 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 7a_100000754733_200011218191 [0,1,1,0,0,0|1,0,0]=3 6816 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 7a_100011215632_100011713710 [0,1,1,0,0,0|1,0,0]=3 6817 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 34a_100000763591_200011218191 [0,1,1,0,0,0|1,0,0]=3 6818 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 34a_100011215632_100011217235 [0,1,1,0,0,0|1,0,0]=3 6819 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 7a_100000763591_200011218191 [0,1,1,0,0,0|1,0,0]=3 6820 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 7a_100011215632_100011217235 [0,1,1,0,0,0|1,0,0]=3 6821 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)N 34a_100011996697_200011218191 [0,1,1,0,0,0|1,0,0]=3 6822 B17R1.1832 CCCCCC(C)OCCc1cccc(n1)Br 34a_100010221043_200011218191 [0,1,1,0,0,0|2,0,0]=4 6823 B17R1.1832 CCCCCC(C)OCCc1cccc(n1)Br 7a_100010221043_200011218191 [0,1,1,0,0,0|2,0,0]=4 6824 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)Br 62a_100011740638_200011218191 [0,1,1,0,0,0|1,0,0]=3 6825 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)Br 62a_200011218191_100011740638 [0,1,1,0,0,0|1,0,0]=3 6826 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)C 62a_100011713685_200011218191 [0,1,1,0,0,0|1,0,0]=3 6827 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)C 62a_200011218191_100011713685 [0,1,1,0,0,0|1,0,0]=3 6828 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)Cl 62a_100011713710_200011218191 [0,1,1,0,0,0|1,0,0]=3 6829 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)Cl 62a_200011218191_100011713710 [0,1,1,0,0,0|1,0,0]=3 6830 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)F 62a_100011217235_200011218191 [0,1,1,0,0,0|1,0,0]=3 6831 B17R1.1832 CCCCCC(C)SCCc1cccc(c1)F 62a_200011218191_100011217235 [0,1,1,0,0,0|1,0,0]=3 6832 B17R1.1832 CCCCCN(C)CCCc1cccc(c1)Br 2230a_100000223495_100011713683 [0,1,1,0,0,0|2,0,0]=4 6833 B17R1.1832 CCCCCN(C)CCCc1cccc(c1)Br 269982a_100000223495_100011713683 [0,1,1,0,0,0|2,0,0]=4 6834 B17R1.1832 CCCCCN(C)CCCc1cccc(c1)F 2230a_100000223495_200000698031 [0,1,1,0,0,0|2,0,0]=4 6835 B17R1.1832 CCCCCN(C)CCCc1cccc(c1)F 269982a_100000223495_200000698031 [0,1,1,0,0,0|2,0,0]=4 6836 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011343953 [0,1,1,0,0,0|1,0,0]=3 6837 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)C 270004a_100000749837_100011343953 [0,1,1,0,0,0|1,0,0]=3 6838 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011343953 [0,1,1,0,0,0|1,0,0]=3 6839 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)F 270004a_100000205154_100011343953 [0,1,1,0,0,0|1,0,0]=3 6840 B17R1.1832 CCCSCC(C)NCCc1cccc(n1)C 270004a_100011824523_100011343953 [0,1,1,0,0,0|2,0,0]=4 6841 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_200011216536 [0,1,1,0,0,0|1,0,0]=3 6842 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)C 270004a_100000749837_200011216536 [0,1,1,0,0,0|1,0,0]=3 6843 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_200011216536 [0,1,1,0,0,0|1,0,0]=3 6844 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)F 270004a_100000205154_200011216536 [0,1,1,0,0,0|1,0,0]=3 6845 B17R1.1832 CCOCCC(C)NCCc1cccc(n1)C 270004a_100011824523_200011216536 [0,1,1,0,0,0|2,0,0]=4 6846 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Br 34a_200011539412_100011740638 [0,1,1,0,0,0|2,0,0]=4 6847 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Br 7a_200011539412_100011740638 [0,1,1,0,0,0|2,0,0]=4 6848 B17R1.1832 COCCCC(C)OCCc1cccc(c1)C 34a_200011539412_100011713685 [0,1,1,0,0,0|2,0,0]=4 6849 B17R1.1832 COCCCC(C)OCCc1cccc(c1)C 7a_200011539412_100011713685 [0,1,1,0,0,0|2,0,0]=4 6850 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Cl 34a_200011539412_100011713710 [0,1,1,0,0,0|2,0,0]=4 6851 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Cl 7a_200011539412_100011713710 [0,1,1,0,0,0|2,0,0]=4 6852 B17R1.1832 COCCCC(C)OCCc1cccc(c1)F 34a_200011539412_100011217235 [0,1,1,0,0,0|2,0,0]=4 6853 B17R1.1832 COCCCC(C)OCCc1cccc(c1)F 7a_200011539412_100011217235 [0,1,1,0,0,0|2,0,0]=4 6854 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011399439 [0,1,1,0,0,0|1,0,0]=3 6855 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100011399439 [0,1,1,0,0,0|1,0,0]=3 6856 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011399439 [0,1,1,0,0,0|1,0,0]=3 6857 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100011399439 [0,1,1,0,0,0|1,0,0]=3 6858 B17R1.1832 CSCCCC(C)NCCc1cccc(n1)C 270004a_100011824523_100011399439 [0,1,1,0,0,0|2,0,0]=4 6859 B17R1.1832 Cc1cccc(c1)CCNC(C)CCCC#N 270004a_100000749837_200000032708 [0,1,1,0,0,0|1,0,1]=4 6860 B17R1.1889 CCCCCC(C)NC(=O)C[n+]1ccccc1 11a_100000211957_200000086051 [0,1,1,0,0,0|1,0,1]=4 6861 B17R1.1889 CCCCCC(C)NC(=O)C[n+]1ccccc1 240690a_100000211957_200000086051 [0,1,1,0,0,0|1,0,1]=4 6862 B17R1.1889 CCCCCC(C)NC(=O)C[n+]1ccccc1 527a_100000211957_200000086051 [0,1,1,0,0,0|1,0,1]=4 6863 B17R1.1889 CCCCCC(C)NC(=O)Cc1ccccn1 11a_100000211957_100000233486 [0,1,1,0,0,0|1,0,1]=4 6864 B17R1.1889 CCCCCC(C)NC(=O)Cc1cccnc1 11a_100000211957_100000737805 [0,1,1,0,0,0|1,0,1]=4 6865 B17R1.1889 CCCCCC(C)NC(=O)Cc1cccnc1 240690a_100000211957_100000737805 [0,1,1,0,0,0|1,0,1]=4 6866 B17R1.1889 CCCCCC(C)NC(=O)Cc1cccnc1 527a_100000211957_100000737805 [0,1,1,0,0,0|1,0,1]=4 6867 B17R1.1889 CCCCCC(C)NC(=O)Cc1ccncc1 11a_100000211957_100011201483 [0,1,1,0,0,0|1,0,1]=4 6868 B17R1.1889 CCCCCC(C)NC(=O)Cc1ccncc1 240690a_100000211957_100011201483 [0,1,1,0,0,0|1,0,1]=4 6869 B17R1.1889 CCCCCC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000211957 [0,1,1,0,0,0|1,0,1]=4 6870 B17R1.1889 CCCCCC(C)NC(C)C[n+]1ccccc1 270004a_100000211957_100000034229 [0,1,1,0,0,0|1,0,0]=3 6871 B17R1.1889 CCCCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_200011218191 [0,1,1,0,0,0|1,0,0]=3 6872 B17R1.1889 CCCCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000211708 [0,1,1,0,0,0|1,0,0]=3 6873 B17R1.1889 CCCCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_200011218191 [0,1,1,0,0,0|1,0,0]=3 6874 B17R1.1889 CCCCCC(C)NC(C)Cc1cccnc1 270004a_100000211957_100015187140 [0,1,1,0,0,0|1,0,0]=3 6875 B17R1.1889 CCCCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000211708 [0,1,1,0,0,0|1,0,0]=3 6876 B17R1.1889 CCCCCC(C)NC(C)Cc1ccncc1 270004a_100000211957_100000238508 [0,1,1,0,0,0|1,0,0]=3 6877 B17R1.1889 CCCCCC(C)NC(C)Cc1cnccn1 2230a_100011277835_200011218191 [0,1,1,0,0,0|2,0,0]=4 6878 B17R1.1889 CCCCCC(C)NC(C)Cc1cnccn1 270004a_100000211957_100015184882 [0,1,1,0,0,0|2,0,0]=4 6879 B17R1.1889 CCCCCC(C)NC(C)Cc1cnccn1 270004a_100011277835_100000211708 [0,1,1,0,0,0|2,0,0]=4 6880 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 34a_100000748627_200011218191 [0,1,1,0,0,0|1,0,0]=3 6881 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 34a_100011215632_200011218536 [0,1,1,0,0,0|1,0,0]=3 6882 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 7a_100000748627_200011218191 [0,1,1,0,0,0|1,0,0]=3 6883 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 7a_100011215632_200011218536 [0,1,1,0,0,0|1,0,0]=3 6884 B17R1.1889 CCCCCC(C)SC(C)Cc1ccccc1 62a_200011218191_200011218536 [0,1,1,0,0,0|1,0,0]=3 6885 B17R1.1889 CCCCCC(C)SC(C)Cc1ccccc1 62a_200011218536_200011218191 [0,1,1,0,0,0|1,0,0]=3 6886 B17R1.1889 CCCCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000223495_100000729385 [0,1,1,0,0,0|2,0,0]=4 6887 B17R1.1889 CCCCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000223495_100000729385 [0,1,1,0,0,0|2,0,0]=4 6888 B17R1.1889 CCCSCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100011343953 [0,1,1,0,0,0|2,0,0]=4 6889 B17R1.1889 CCCSCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100011343953 [0,1,1,0,0,0|2,0,0]=4 6890 B17R1.1889 CCOCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_200011216536 [0,1,1,0,0,0|2,0,0]=4 6891 B17R1.1889 CCOCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_200011216536 [0,1,1,0,0,0|2,0,0]=4 6892 B17R1.1889 COCCCC(C)OC(C)Cc1ccccc1 34a_200011539412_200011218536 [0,1,1,0,0,0|2,0,0]=4 6893 B17R1.1889 COCCCC(C)OC(C)Cc1ccccc1 7a_200011539412_200011218536 [0,1,1,0,0,0|2,0,0]=4 6894 B17R1.1889 CSCCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100011399439 [0,1,1,0,0,0|2,0,0]=4 6895 B17R1.1889 CSCCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100011399439 [0,1,1,0,0,0|2,0,0]=4 6896 B17R1.1909 CC(CCCC#N)N(C)CCc1ccccc1 270004a_100000207497_200000032708 [0,1,1,0,0,0|1,0,1]=4 6897 B17R1.1909 CCCCCC(=O)N(C)CCc1ccccc1 11a_100000207497_100000212188 [0,1,1,0,0,0|1,0,1]=4 6898 B17R1.1909 CCCCCC(=O)N(C)CCc1ccccc1 1626a_100000207497_100000212188 [0,1,1,0,0,0|1,0,1]=4 6899 B17R1.1909 CCCCCC(=O)N(C)CCc1ccccc1 240690a_100000207497_100000212188 [0,1,1,0,0,0|1,0,1]=4 6900 B17R1.1909 CCCCCC(=O)N(C)CCc1ccccc1 527a_100000207497_100000212188 [0,1,1,0,0,0|1,0,1]=4 6901 B17R1.1909 CCCCCC(C)C(=O)CCc1ccccc1 1458a_100000185753_200011218191 [0,1,1,0,0,0|1,0,0]=3 6902 B17R1.1909 CCCCCC(C)C(=O)CCc1ccccc1 1458a_100011215998_100000765856 [0,1,1,0,0,0|1,0,0]=3 6903 B17R1.1909 CCCCCC(C)C(=O)CCc1ccccn1 1458a_100011215998_100015183660 [0,1,1,0,0,0|2,0,0]=4 6904 B17R1.1909 CCCCCC(C)C(=O)CCc1ccccn1 1458a_100015195070_200011218191 [0,1,1,0,0,0|2,0,0]=4 6905 B17R1.1909 CCCCCC(C)C(=O)CCc1cccnc1 1458a_100000198484_200011218191 [0,1,1,0,0,0|2,0,0]=4 6906 B17R1.1909 CCCCCC(C)C(=O)CCc1cccnc1 1458a_100011215998_200011713674 [0,1,1,0,0,0|2,0,0]=4 6907 B17R1.1909 CCCCCC(C)C(=O)CCc1ccncc1 1458a_100011215998_100000723409 [0,1,1,0,0,0|2,0,0]=4 6908 B17R1.1909 CCCCCC(C)C(=O)CCc1ccncc1 1458a_100011225043_200011218191 [0,1,1,0,0,0|2,0,0]=4 6909 B17R1.1909 CCCCCC(C)C(=O)COc1ccccc1 1458a_100000186222_200011218191 [0,1,1,0,0,0|2,0,0]=4 6910 B17R1.1909 CCCCCC(C)C(=O)CSc1ccccc1 1458a_100000211596_200011218191 [0,1,1,0,0,0|2,0,0]=4 6911 B17R1.1909 CCCCCC(C)C(=O)NCc1ccccc1 11a_100015324214_100011215998 [0,1,1,0,0,0|2,0,0]=4 6912 B17R1.1909 CCCCCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100011215998 [0,1,1,0,0,0|2,0,0]=4 6913 B17R1.1909 CCCCCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100011215998 [0,1,1,0,0,0|2,0,0]=4 6914 B17R1.1909 CCCCCC(C)C(=O)NCc1ccccc1 527a_100015324214_100011215998 [0,1,1,0,0,0|2,0,0]=4 6915 B17R1.1909 CCCCCC(C)N(C)CCc1ccccc1 2230a_100000207497_200011218191 [0,1,1,0,0,0|0,0,0]=2 6916 B17R1.1909 CCCCCC(C)N(C)CCc1ccccc1 269982a_100000207497_200011218191 [0,1,1,0,0,0|0,0,0]=2 6917 B17R1.1909 CCCCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000211708 [0,1,1,0,0,0|0,0,0]=2 6918 B17R1.1909 CCCCCC(C)N(C)CCc1ccccn1 2230a_100000737206_200011218191 [0,1,1,0,0,0|1,0,0]=3 6919 B17R1.1909 CCCCCC(C)N(C)CCc1ccccn1 269982a_100000737206_200011218191 [0,1,1,0,0,0|1,0,0]=3 6920 B17R1.1909 CCCCCC(C)N(C)CCc1ccccn1 270004a_100000737206_100000211708 [0,1,1,0,0,0|1,0,0]=3 6921 B17R1.1909 CCCCCC(C)N(C)CCc1cccnc1 2230a_100000763209_200011218191 [0,1,1,0,0,0|1,0,0]=3 6922 B17R1.1909 CCCCCC(C)N(C)CCc1cccnc1 269982a_100000763209_200011218191 [0,1,1,0,0,0|1,0,0]=3 6923 B17R1.1909 CCCCCC(C)N(C)CCc1cccnc1 270004a_100000763209_100000211708 [0,1,1,0,0,0|1,0,0]=3 6924 B17R1.1909 CCCCCC(C)N(C)CCc1ccncc1 2230a_100000742850_200011218191 [0,1,1,0,0,0|1,0,0]=3 6925 B17R1.1909 CCCCCC(C)N(C)CCc1ccncc1 269982a_100000742850_200011218191 [0,1,1,0,0,0|1,0,0]=3 6926 B17R1.1909 CCCCCC(C)N(C)CCc1ccncc1 270004a_100000742850_100000211708 [0,1,1,0,0,0|1,0,0]=3 6927 B17R1.1909 CCCCCN(C)C(=O)CCc1ccccc1 11a_100000223495_100000185753 [0,1,1,0,0,0|2,0,0]=4 6928 B17R1.1909 CCCCCN(C)C(=O)CCc1ccccc1 1626a_100000223495_100000185753 [0,1,1,0,0,0|2,0,0]=4 6929 B17R1.1909 CCCCCN(C)C(=O)CCc1ccccc1 240690a_100000223495_100000185753 [0,1,1,0,0,0|2,0,0]=4 6930 B17R1.1909 CCCCCN(C)C(=O)CCc1ccccc1 527a_100000223495_100000185753 [0,1,1,0,0,0|2,0,0]=4 6931 B17R1.1909 CCCCCN(C)C(C)CCc1ccccc1 270004a_100000223495_100000210092 [0,1,1,0,0,0|2,0,0]=4 6932 B17R1.1909 CCCCSC(C)C(=O)CCc1ccccc1 1458a_100000191163_100000765856 [0,1,1,0,0,0|2,0,0]=4 6933 B17R1.1909 CCCSCC(C)N(C)CCc1ccccc1 270004a_100000207497_100011343953 [0,1,1,0,0,0|1,0,0]=3 6934 B17R1.1909 CCCSCC(C)N(C)CCc1ccccn1 270004a_100000737206_100011343953 [0,1,1,0,0,0|2,0,0]=4 6935 B17R1.1909 CCCSCC(C)N(C)CCc1cccnc1 270004a_100000763209_100011343953 [0,1,1,0,0,0|2,0,0]=4 6936 B17R1.1909 CCCSCC(C)N(C)CCc1ccncc1 270004a_100000742850_100011343953 [0,1,1,0,0,0|2,0,0]=4 6937 B17R1.1909 CCOCCC(C)N(C)CCc1ccccc1 270004a_100000207497_200011216536 [0,1,1,0,0,0|1,0,0]=3 6938 B17R1.1909 CCOCCC(C)N(C)CCc1ccccn1 270004a_100000737206_200011216536 [0,1,1,0,0,0|2,0,0]=4 6939 B17R1.1909 CCOCCC(C)N(C)CCc1cccnc1 270004a_100000763209_200011216536 [0,1,1,0,0,0|2,0,0]=4 6940 B17R1.1909 CCOCCC(C)N(C)CCc1ccncc1 270004a_100000742850_200011216536 [0,1,1,0,0,0|2,0,0]=4 6941 B17R1.1909 CSCCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100011399439 [0,1,1,0,0,0|1,0,0]=3 6942 B17R1.1909 CSCCCC(C)N(C)CCc1ccccn1 270004a_100000737206_100011399439 [0,1,1,0,0,0|2,0,0]=4 6943 B17R1.1909 CSCCCC(C)N(C)CCc1cccnc1 270004a_100000763209_100011399439 [0,1,1,0,0,0|2,0,0]=4 6944 B17R1.1909 CSCCCC(C)N(C)CCc1ccncc1 270004a_100000742850_100011399439 [0,1,1,0,0,0|2,0,0]=4 6945 B17R1.1937 C#CC(CCCCC)OCCc1ccccc1 34a_100011216489_100000765856 [0,1,1,0,0,0|1,0,1]=4 6946 B17R1.1937 C#CC(CCCCC)OCCc1ccccc1 7a_100011216489_100000765856 [0,1,1,0,0,0|1,0,1]=4 6947 B17R1.1937 C=CC(CCCCC)OCCc1ccccc1 34a_100011216863_100000765856 [0,1,1,0,0,0|1,0,1]=4 6948 B17R1.1937 C=CC(CCCCC)OCCc1ccccc1 7a_100011216863_100000765856 [0,1,1,0,0,0|1,0,1]=4 6949 B17R1.1937 CCCCCC(CC)NCCc1ccccc1 270004a_100000106460_100011215316 [0,1,1,0,0,0|0,0,0]=2 6950 B17R1.1937 CCCCCC(CC)NCCc1ccccn1 270004a_100000211156_100011215316 [0,1,1,0,0,0|1,0,0]=3 6951 B17R1.1937 CCCCCC(CC)NCCc1cccnc1 270004a_100000736294_100011215316 [0,1,1,0,0,0|1,0,0]=3 6952 B17R1.1937 CCCCCC(CC)NCCc1ccncc1 270004a_100000742849_100011215316 [0,1,1,0,0,0|1,0,0]=3 6953 B17R1.1937 CCCCCC(CC)NCCc1cnccn1 270004a_100000723456_100011215316 [0,1,1,0,0,0|2,0,0]=4 6954 B17R1.1937 CCCCCC(CC)OCCc1ccccc1 34a_100011215405_100000765856 [0,1,1,0,0,0|1,0,0]=3 6955 B17R1.1937 CCCCCC(CC)OCCc1ccccc1 7a_100011215405_100000765856 [0,1,1,0,0,0|1,0,0]=3 6956 B17R1.1937 CCCCCC(CC)OCCc1ccccn1 7a_100011215405_100015183660 [0,1,1,0,0,0|2,0,0]=4 6957 B17R1.1937 CCCCCC(CC)OCCc1cccnc1 7a_100011215405_200011713674 [0,1,1,0,0,0|2,0,0]=4 6958 B17R1.1937 CCCCCC(CC)OCCc1ccncc1 7a_100011215405_100000723409 [0,1,1,0,0,0|2,0,0]=4 6959 B17R1.8944 CC(CCCC#N)NCCc1ccccc1Br 270004a_100000747383_200000032708 [0,1,1,0,0,0|1,0,1]=4 6960 B17R1.8944 CC(CCCC#N)NCCc1ccccc1Cl 270004a_100011207228_200000032708 [0,1,1,0,0,0|1,0,1]=4 6961 B17R1.8944 CC(CCCC#N)NCCc1ccccc1F 270004a_100000185272_200000032708 [0,1,1,0,0,0|1,0,1]=4 6962 B17R1.8944 CC(CCCC#N)NCCc1ccccc1O 270004a_100011207237_200000032708 [0,1,1,0,0,0|1,0,1]=4 6963 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Br 11a_100000747383_100000212188 [0,1,1,0,0,0|1,0,1]=4 6964 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Br 1626a_100000747383_100000212188 [0,1,1,0,0,0|1,0,1]=4 6965 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Br 240690a_100000747383_100000212188 [0,1,1,0,0,0|1,0,1]=4 6966 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Br 527a_100000747383_100000212188 [0,1,1,0,0,0|1,0,1]=4 6967 B17R1.8944 CCCCCC(=O)NCCc1ccccc1C 11a_100000685071_100000212188 [0,1,1,0,0,0|1,0,1]=4 6968 B17R1.8944 CCCCCC(=O)NCCc1ccccc1C 1626a_100000685071_100000212188 [0,1,1,0,0,0|1,0,1]=4 6969 B17R1.8944 CCCCCC(=O)NCCc1ccccc1C 240690a_100000685071_100000212188 [0,1,1,0,0,0|1,0,1]=4 6970 B17R1.8944 CCCCCC(=O)NCCc1ccccc1C 527a_100000685071_100000212188 [0,1,1,0,0,0|1,0,1]=4 6971 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Cl 11a_100011207228_100000212188 [0,1,1,0,0,0|1,0,1]=4 6972 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Cl 1626a_100011207228_100000212188 [0,1,1,0,0,0|1,0,1]=4 6973 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Cl 240690a_100011207228_100000212188 [0,1,1,0,0,0|1,0,1]=4 6974 B17R1.8944 CCCCCC(=O)NCCc1ccccc1Cl 527a_100011207228_100000212188 [0,1,1,0,0,0|1,0,1]=4 6975 B17R1.8944 CCCCCC(=O)NCCc1ccccc1F 11a_100000185272_100000212188 [0,1,1,0,0,0|1,0,1]=4 6976 B17R1.8944 CCCCCC(=O)NCCc1ccccc1F 1626a_100000185272_100000212188 [0,1,1,0,0,0|1,0,1]=4 6977 B17R1.8944 CCCCCC(=O)NCCc1ccccc1F 240690a_100000185272_100000212188 [0,1,1,0,0,0|1,0,1]=4 6978 B17R1.8944 CCCCCC(=O)NCCc1ccccc1F 527a_100000185272_100000212188 [0,1,1,0,0,0|1,0,1]=4 6979 B17R1.8944 CCCCCC(=O)NCCc1ccccc1O 240690a_100011207237_100000212188 [0,1,1,0,0,0|1,0,1]=4 6980 B17R1.8944 CCCCCC(=O)NCCc1ccccc1O 527a_100011207237_100000212188 [0,1,1,0,0,0|1,0,1]=4 6981 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 2230a_100000211957_100012161201 [0,1,1,0,0,0|0,0,0]=2 6982 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 2230a_100000747383_200011218191 [0,1,1,0,0,0|0,0,0]=2 6983 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 270004a_100000747383_100000211708 [0,1,1,0,0,0|0,0,0]=2 6984 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 34a_100000747383_200011218191 [0,1,1,0,0,0|0,0,0]=2 6985 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 2230a_100000211957_100011713688 [0,1,1,0,0,0|0,0,0]=2 6986 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 2230a_100000685071_200011218191 [0,1,1,0,0,0|0,0,0]=2 6987 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 270004a_100000685071_100000211708 [0,1,1,0,0,0|0,0,0]=2 6988 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 34a_100000685071_200011218191 [0,1,1,0,0,0|0,0,0]=2 6989 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 2230a_100000211957_100011713703 [0,1,1,0,0,0|0,0,0]=2 6990 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 2230a_100011207228_200011218191 [0,1,1,0,0,0|0,0,0]=2 6991 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 270004a_100000211957_200011713468 [0,1,1,0,0,0|0,0,0]=2 6992 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000211708 [0,1,1,0,0,0|0,0,0]=2 6993 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 34a_100011207228_200011218191 [0,1,1,0,0,0|0,0,0]=2 6994 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 2230a_100000185272_200011218191 [0,1,1,0,0,0|0,0,0]=2 6995 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 2230a_100000211957_100011713696 [0,1,1,0,0,0|0,0,0]=2 6996 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 270004a_100000185272_100000211708 [0,1,1,0,0,0|0,0,0]=2 6997 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 34a_100000185272_200011218191 [0,1,1,0,0,0|0,0,0]=2 6998 B17R1.8944 CCCCCC(C)NCCc1ccccc1O 270004a_100011207237_100000211708 [0,1,1,0,0,0|0,0,0]=2 6999 B17R1.8944 CCCCCC(C)NCCc1ccccc1O 34a_100011207237_200011218191 [0,1,1,0,0,0|0,0,0]=2 7000 B17R1.8944 CCCCCC(C)NCCn1ccccc1=O 2230a_100000687133_200011218191 [0,1,1,0,0,0|1,0,0]=3 7001 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 34a_100000731337_200011218191 [0,1,1,0,0,0|1,0,0]=3 7002 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 34a_100011215632_100012161201 [0,1,1,0,0,0|1,0,0]=3 7003 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 7a_100000731337_200011218191 [0,1,1,0,0,0|1,0,0]=3 7004 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 7a_100011215632_100012161201 [0,1,1,0,0,0|1,0,0]=3 7005 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 34a_100011215632_100011713688 [0,1,1,0,0,0|1,0,0]=3 7006 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 34a_100011220023_200011218191 [0,1,1,0,0,0|1,0,0]=3 7007 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 7a_100011215632_100011713688 [0,1,1,0,0,0|1,0,0]=3 7008 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 7a_100011220023_200011218191 [0,1,1,0,0,0|1,0,0]=3 7009 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 34a_100011215284_200011218191 [0,1,1,0,0,0|1,0,0]=3 7010 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 34a_100011215632_100011713703 [0,1,1,0,0,0|1,0,0]=3 7011 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 7a_100011215284_200011218191 [0,1,1,0,0,0|1,0,0]=3 7012 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 7a_100011215632_100011713703 [0,1,1,0,0,0|1,0,0]=3 7013 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 34a_100000753711_200011218191 [0,1,1,0,0,0|1,0,0]=3 7014 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 34a_100011215632_100000720011 [0,1,1,0,0,0|1,0,0]=3 7015 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 7a_100000753711_200011218191 [0,1,1,0,0,0|1,0,0]=3 7016 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 7a_100011215632_100000720011 [0,1,1,0,0,0|1,0,0]=3 7017 B17R1.8944 CCCCCC(C)OCCc1ccccc1I 34a_100010255290_200011218191 [0,1,1,0,0,0|1,0,0]=3 7018 B17R1.8944 CCCCCC(C)OCCc1ccccc1I 7a_100010255290_200011218191 [0,1,1,0,0,0|1,0,0]=3 7019 B17R1.8944 CCCCCC(C)OCCc1ccccc1N 34a_100011215289_200011218191 [0,1,1,0,0,0|1,0,0]=3 7020 B17R1.8944 CCCCCC(C)OCCc1ccccc1O 34a_100011215632_100000722297 [0,1,1,0,0,0|1,0,0]=3 7021 B17R1.8944 CCCCCC(C)OCCc1ccccc1O 7a_100011215632_100000722297 [0,1,1,0,0,0|1,0,0]=3 7022 B17R1.8944 CCCCCC(C)OCCc1ncccc1C 34a_100011997706_200011218191 [0,1,1,0,0,0|2,0,0]=4 7023 B17R1.8944 CCCCCC(C)OCCc1ncccc1C 7a_100011997706_200011218191 [0,1,1,0,0,0|2,0,0]=4 7024 B17R1.8944 CCCCCC(C)SCCc1ccccc1Br 62a_100012161201_200011218191 [0,1,1,0,0,0|1,0,0]=3 7025 B17R1.8944 CCCCCC(C)SCCc1ccccc1Br 62a_200011218191_100012161201 [0,1,1,0,0,0|1,0,0]=3 7026 B17R1.8944 CCCCCC(C)SCCc1ccccc1C 62a_100011713688_200011218191 [0,1,1,0,0,0|1,0,0]=3 7027 B17R1.8944 CCCCCC(C)SCCc1ccccc1C 62a_200011218191_100011713688 [0,1,1,0,0,0|1,0,0]=3 7028 B17R1.8944 CCCCCC(C)SCCc1ccccc1Cl 62a_100011713703_200011218191 [0,1,1,0,0,0|1,0,0]=3 7029 B17R1.8944 CCCCCC(C)SCCc1ccccc1Cl 62a_200011218191_100011713703 [0,1,1,0,0,0|1,0,0]=3 7030 B17R1.8944 CCCCCC(C)SCCc1ccccc1F 62a_100011713696_200011218191 [0,1,1,0,0,0|1,0,0]=3 7031 B17R1.8944 CCCCCC(C)SCCc1ccccc1F 62a_200011218191_100011713696 [0,1,1,0,0,0|1,0,0]=3 7032 B17R1.8944 CCCCCC(C)SCCc1ccccc1O 62a_100000722297_200011218191 [0,1,1,0,0,0|1,0,0]=3 7033 B17R1.8944 CCCCCC(C)SCCc1ccccc1O 62a_200011218191_100000722297 [0,1,1,0,0,0|1,0,0]=3 7034 B17R1.8944 CCCCCN(C)CCCc1ccccc1Br 2230a_100000223495_200011713681 [0,1,1,0,0,0|2,0,0]=4 7035 B17R1.8944 CCCCCN(C)CCCc1ccccc1Br 269982a_100000223495_200011713681 [0,1,1,0,0,0|2,0,0]=4 7036 B17R1.8944 CCCSCC(C)NCCc1ccccc1Br 270004a_100000747383_100011343953 [0,1,1,0,0,0|1,0,0]=3 7037 B17R1.8944 CCCSCC(C)NCCc1ccccc1C 270004a_100000685071_100011343953 [0,1,1,0,0,0|1,0,0]=3 7038 B17R1.8944 CCCSCC(C)NCCc1ccccc1Cl 270004a_100011207228_100011343953 [0,1,1,0,0,0|1,0,0]=3 7039 B17R1.8944 CCCSCC(C)NCCc1ccccc1F 270004a_100000185272_100011343953 [0,1,1,0,0,0|1,0,0]=3 7040 B17R1.8944 CCCSCC(C)NCCc1ccccc1O 270004a_100011207237_100011343953 [0,1,1,0,0,0|1,0,0]=3 7041 B17R1.8944 CCOCCC(C)NCCc1ccccc1Br 270004a_100000747383_200011216536 [0,1,1,0,0,0|1,0,0]=3 7042 B17R1.8944 CCOCCC(C)NCCc1ccccc1C 270004a_100000685071_200011216536 [0,1,1,0,0,0|1,0,0]=3 7043 B17R1.8944 CCOCCC(C)NCCc1ccccc1Cl 270004a_100011207228_200011216536 [0,1,1,0,0,0|1,0,0]=3 7044 B17R1.8944 CCOCCC(C)NCCc1ccccc1F 270004a_100000185272_200011216536 [0,1,1,0,0,0|1,0,0]=3 7045 B17R1.8944 CCOCCC(C)NCCc1ccccc1O 270004a_100011207237_200011216536 [0,1,1,0,0,0|1,0,0]=3 7046 B17R1.8944 COCCCC(C)OCCc1ccccc1Br 34a_200011539412_100012161201 [0,1,1,0,0,0|2,0,0]=4 7047 B17R1.8944 COCCCC(C)OCCc1ccccc1Br 7a_200011539412_100012161201 [0,1,1,0,0,0|2,0,0]=4 7048 B17R1.8944 COCCCC(C)OCCc1ccccc1C 34a_200011539412_100011713688 [0,1,1,0,0,0|2,0,0]=4 7049 B17R1.8944 COCCCC(C)OCCc1ccccc1C 7a_200011539412_100011713688 [0,1,1,0,0,0|2,0,0]=4 7050 B17R1.8944 COCCCC(C)OCCc1ccccc1Cl 34a_200011539412_100011713703 [0,1,1,0,0,0|2,0,0]=4 7051 B17R1.8944 COCCCC(C)OCCc1ccccc1Cl 7a_200011539412_100011713703 [0,1,1,0,0,0|2,0,0]=4 7052 B17R1.8944 COCCCC(C)OCCc1ccccc1F 34a_200011539412_100000720011 [0,1,1,0,0,0|2,0,0]=4 7053 B17R1.8944 COCCCC(C)OCCc1ccccc1F 7a_200011539412_100000720011 [0,1,1,0,0,0|2,0,0]=4 7054 B17R1.8944 COCCCC(C)OCCc1ccccc1O 34a_200011539412_100000722297 [0,1,1,0,0,0|2,0,0]=4 7055 B17R1.8944 COCCCC(C)OCCc1ccccc1O 7a_200011539412_100000722297 [0,1,1,0,0,0|2,0,0]=4 7056 B17R1.8944 CSCCCC(C)NCCc1ccccc1Br 270004a_100000747383_100011399439 [0,1,1,0,0,0|1,0,0]=3 7057 B17R1.8944 CSCCCC(C)NCCc1ccccc1C 270004a_100000685071_100011399439 [0,1,1,0,0,0|1,0,0]=3 7058 B17R1.8944 CSCCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100011399439 [0,1,1,0,0,0|1,0,0]=3 7059 B17R1.8944 CSCCCC(C)NCCc1ccccc1F 270004a_100000185272_100011399439 [0,1,1,0,0,0|1,0,0]=3 7060 B17R1.8944 CSCCCC(C)NCCc1ccccc1O 270004a_100011207237_100011399439 [0,1,1,0,0,0|1,0,0]=3 7061 B17R1.8944 Cc1ccccc1CCNC(C)CCCC#N 270004a_100000685071_200000032708 [0,1,1,0,0,0|1,0,1]=4 7062 B17R1.9781 CCCCC(=O)C(C)CCCc1ccccc1 1458a_100000210183_200010759516 [0,1,1,0,0,0|1,0,1]=4 7063 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 11a_100000106460_100000725509 [0,1,1,0,0,0|1,0,1]=4 7064 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 1626a_100000106460_100000725509 [0,1,1,0,0,0|1,0,1]=4 7065 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 240690a_100000106460_100000725509 [0,1,1,0,0,0|1,0,1]=4 7066 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 527a_100000106460_100000725509 [0,1,1,0,0,0|1,0,1]=4 7067 B17R1.9781 CCCCC(C)N(C)CCCc1ccccc1 2230a_100000693637_200011215066 [0,1,1,0,0,0|2,0,0]=4 7068 B17R1.9781 CCCCC(C)N(C)CCCc1ccccc1 269982a_100000693637_200011215066 [0,1,1,0,0,0|2,0,0]=4 7069 B17R1.9781 CCCCC(C)N(C)CCCc1ccccc1 270004a_100000693637_100000210087 [0,1,1,0,0,0|2,0,0]=4 7070 B17R1.9781 CCCCC(O)C(=O)NCCc1ccccc1 240690a_100000106460_100000720857 [0,1,1,0,0,0|1,0,1]=4 7071 B17R1.9781 CCCCC(O)C(=O)NCCc1ccccc1 527a_100000106460_100000720857 [0,1,1,0,0,0|1,0,1]=4 7072 B17R1.9781 CCCCN(C)C(C)CCCc1ccccc1 2230a_100000207549_200010759516 [0,1,1,0,0,0|2,0,0]=4 7073 B17R1.9781 CCCCN(C)C(C)CCCc1ccccc1 269982a_100000207549_200010759516 [0,1,1,0,0,0|2,0,0]=4 7074 B17R1.9781 CCCNC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100000230305 [0,1,1,0,0,0|1,0,1]=4 7075 B17R1.9781 CCCNC(=O)C(C)NCCc1ccccc1 2230a_100025744714_100000765856 [0,1,1,0,0,0|1,0,1]=4 7076 B17R1.9781 CCCNC(=O)C(C)NCCc1ccccc1 34a_100000106460_100000230305 [0,1,1,0,0,0|1,0,1]=4 7077 B17R1.9781 CCCNC(=O)C(C)NCCc1ccccc1 34a_100025744714_100000765856 [0,1,1,0,0,0|1,0,1]=4 7078 B17R1.9781 CCCOC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100000760410 [0,1,1,0,0,0|1,0,1]=4 7079 B17R1.9781 CCCOC(=O)C(C)NCCc1ccccc1 34a_100000106460_100000760410 [0,1,1,0,0,0|1,0,1]=4 7080 B17R1.16611 CC(=CCCC(C)NCCc1ccccc1)C 270004a_100000106460_100000765506 [0,1,1,0,0,0|0,0,2]=4 7081 B17R1.16611 CC(Br)CCOC(C)CCCc1ccccc1 34a_100009893172_200010759516 [0,1,1,0,0,0|2,0,0]=4 7082 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 11a_100000106460_100011216857 [0,1,1,0,0,0|1,0,1]=4 7083 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 1626a_100000106460_100011216857 [0,1,1,0,0,0|1,0,1]=4 7084 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 240690a_100000106460_100011216857 [0,1,1,0,0,0|1,0,1]=4 7085 B17R1.16611 CC(C)CCCC(=O)NCCc1ccccc1 527a_100000106460_100011216857 [0,1,1,0,0,0|1,0,1]=4 7086 B17R1.16611 CC(C)CCCC(C)CCNc1ccccc1 34a_100000106764_100009816328 [0,1,1,0,0,0|2,0,0]=4 7087 B17R1.16611 CC(C)CCCC(C)CCOc1ccccc1 34a_100000210340_100009816328 [0,1,1,0,0,0|2,0,0]=4 7088 B17R1.16611 CC(C)CCCC(C)CCOc1ccccc1 7a_100000210340_100009816328 [0,1,1,0,0,0|2,0,0]=4 7089 B17R1.16611 CC(C)CCCC(C)CCSc1ccccc1 62a_100000719477_100009816328 [0,1,1,0,0,0|2,0,0]=4 7090 B17R1.16611 CC(C)CCCC(C)CCSc1ccccc1 62a_100009816328_100000041952 [0,1,1,0,0,0|2,0,0]=4 7091 B17R1.16611 CC(C)CCCC(C)NCCc1ccccc1 2230a_100000210607_100000765856 [0,1,1,0,0,0|0,0,0]=2 7092 B17R1.16611 CC(C)CCCC(C)NCCc1ccccc1 270004a_100000106460_100000753411 [0,1,1,0,0,0|0,0,0]=2 7093 B17R1.16611 CC(C)CCCC(C)NCCc1ccccn1 2230a_100000210607_100015183660 [0,1,1,0,0,0|1,0,0]=3 7094 B17R1.16611 CC(C)CCCC(C)NCCc1ccccn1 270004a_100000211156_100000753411 [0,1,1,0,0,0|1,0,0]=3 7095 B17R1.16611 CC(C)CCCC(C)NCCc1cccnc1 2230a_100000210607_200011713674 [0,1,1,0,0,0|1,0,0]=3 7096 B17R1.16611 CC(C)CCCC(C)NCCc1cccnc1 270004a_100000736294_100000753411 [0,1,1,0,0,0|1,0,0]=3 7097 B17R1.16611 CC(C)CCCC(C)NCCc1ccncc1 2230a_100000210607_100000723409 [0,1,1,0,0,0|1,0,0]=3 7098 B17R1.16611 CC(C)CCCC(C)NCCc1ccncc1 270004a_100000742849_100000753411 [0,1,1,0,0,0|1,0,0]=3 7099 B17R1.16611 CC(C)CCCC(C)NCCc1cnccn1 270004a_100000723456_100000753411 [0,1,1,0,0,0|2,0,0]=4 7100 B17R1.16611 CC(C)CCCC(C)NCSc1ccccc1 2230a_100000210607_100011218342 [0,1,1,0,0,0|1,0,0]=3 7101 B17R1.16611 CC(C)CCCC(C)OCCc1ccccc1 34a_200011218570_100000765856 [0,1,1,0,0,0|1,0,0]=3 7102 B17R1.16611 CC(C)CCCC(C)OCCc1ccccc1 7a_200011218570_100000765856 [0,1,1,0,0,0|1,0,0]=3 7103 B17R1.16611 CC(C)CCCC(C)OCCc1ccccn1 7a_200011218570_100015183660 [0,1,1,0,0,0|2,0,0]=4 7104 B17R1.16611 CC(C)CCCC(C)OCCc1cccnc1 7a_200011218570_200011713674 [0,1,1,0,0,0|2,0,0]=4 7105 B17R1.16611 CC(C)CCCC(C)OCCc1ccncc1 7a_200011218570_100000723409 [0,1,1,0,0,0|2,0,0]=4 7106 B17R1.16611 CC(C)CCCN(C)CCCc1ccccc1 2230a_100000693637_100011214892 [0,1,1,0,0,0|2,0,0]=4 7107 B17R1.16611 CC(C)CCCN(C)CCCc1ccccc1 269982a_100000693637_100011214892 [0,1,1,0,0,0|2,0,0]=4 7108 B17R1.16611 CC(C)CCOC(C)CCCc1ccccc1 34a_100000210254_200010759516 [0,1,1,0,0,0|2,0,0]=4 7109 B17R1.16611 CC(C)CCOC(C)CCCc1ccccc1 7a_100000210254_200010759516 [0,1,1,0,0,0|2,0,0]=4 7110 B17R1.16611 CC(C)CCSC(C)CCCc1ccccc1 62a_100000210312_200010759516 [0,1,1,0,0,0|2,0,0]=4 7111 B17R1.16611 CC(C)CCSC(C)CCCc1ccccc1 62a_200010759516_100000210312 [0,1,1,0,0,0|2,0,0]=4 7112 B17R1.16611 CC(CCCc1ccccc1)OCC[C@@H](C)N 34a_100000706166_200010759516 [0,1,1,0,0,0|2,0,0]=4 7113 B17R1.16611 CC(CCOC(C)C)NCCc1ccccc1 270004a_100000106460_200011219172 [0,1,1,0,0,0|1,0,0]=3 7114 B17R1.16611 CC(CCOC(C)C)NCCc1ccccn1 270004a_100000211156_200011219172 [0,1,1,0,0,0|2,0,0]=4 7115 B17R1.16611 CC(CCOC(C)C)NCCc1cccnc1 270004a_100000736294_200011219172 [0,1,1,0,0,0|2,0,0]=4 7116 B17R1.16611 CC(CCOC(C)C)NCCc1ccncc1 270004a_100000742849_200011219172 [0,1,1,0,0,0|2,0,0]=4 7117 B17R1.16611 CC(O)CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000761597 [0,1,1,0,0,0|1,0,1]=4 7118 B17R1.16611 CC(O)CCCC(=O)NCCc1ccccc1 527a_100000106460_100000761597 [0,1,1,0,0,0|1,0,1]=4 7119 B17R1.16611 CC(O)CCCN(C)CCCc1ccccc1 2230a_100000693637_200000718107 [0,1,1,0,0,0|2,0,0]=4 7120 B17R1.16611 CC(O)CCCN(C)CCCc1ccccc1 269982a_100000693637_200000718107 [0,1,1,0,0,0|2,0,0]=4 7121 B17R1.16611 CC(O)CCNC(C)CCCc1ccccc1 2230a_200000755665_200010759516 [0,1,1,0,0,0|2,0,0]=4 7122 B17R1.16611 CC(O)CCSC(C)CCCc1ccccc1 62a_100012276601_200010759516 [0,1,1,0,0,0|2,0,0]=4 7123 B17R1.16611 CC(O)CCSC(C)CCCc1ccccc1 62a_200010759516_100012276601 [0,1,1,0,0,0|2,0,0]=4 7124 B17R1.22068 CCCC(C)CC(=O)NCCc1ccccc1 11a_100000106460_100000748435 [0,1,1,0,0,0|1,0,1]=4 7125 B17R1.22068 CCCC(C)CC(=O)NCCc1ccccc1 1626a_100000106460_100000748435 [0,1,1,0,0,0|1,0,1]=4 7126 B17R1.22068 CCCC(C)CC(=O)NCCc1ccccc1 240690a_100000106460_100000748435 [0,1,1,0,0,0|1,0,1]=4 7127 B17R1.22068 CCCC(C)CC(=O)NCCc1ccccc1 527a_100000106460_100000748435 [0,1,1,0,0,0|1,0,1]=4 7128 B17R1.22068 CCCC(C)CN(C)CCCc1ccccc1 2230a_100000693637_100011216630 [0,1,1,0,0,0|2,0,0]=4 7129 B17R1.22068 CCCC(C)CN(C)CCCc1ccccc1 269982a_100000693637_100011216630 [0,1,1,0,0,0|2,0,0]=4 7130 B17R1.22068 CCCC(C)CN(C)CCCc1ccccc1 270004a_100000693637_100000243154 [0,1,1,0,0,0|2,0,0]=4 7131 B17R1.22068 CCCC(C)NC(C)CCCc1ccccc1 2230a_100000741246_200010759516 [0,1,1,0,0,0|2,0,0]=4 7132 B17R1.22068 CCCC(C)OC(C)CCCc1ccccc1 34a_100000764384_200010759516 [0,1,1,0,0,0|2,0,0]=4 7133 B17R1.22068 CCCC(C)OC(C)CCCc1ccccc1 7a_100000764384_200010759516 [0,1,1,0,0,0|2,0,0]=4 7134 B17R1.22068 CCCC(C)SC(C)CCCc1ccccc1 62a_100000766640_200010759516 [0,1,1,0,0,0|2,0,0]=4 7135 B17R1.22068 CCCC(C)SC(C)CCCc1ccccc1 62a_200010759516_100000766640 [0,1,1,0,0,0|2,0,0]=4 7136 B17R1.22068 CCOC(=O)CC(C)NCCc1ccccc1 2230a_100000106460_100009817359 [0,1,1,0,0,0|1,0,1]=4 7137 B17R1.26833 CCC(C)CCC(=O)NCCc1ccccc1 11a_100000106460_100000701222 [0,1,1,0,0,0|1,0,1]=4 7138 B17R1.26833 CCC(C)CCC(=O)NCCc1ccccc1 1626a_100000106460_100000701222 [0,1,1,0,0,0|1,0,1]=4 7139 B17R1.26833 CCC(C)CCC(=O)NCCc1ccccc1 240690a_100000106460_100000701222 [0,1,1,0,0,0|1,0,1]=4 7140 B17R1.26833 CCC(C)CCC(=O)NCCc1ccccc1 527a_100000106460_100000701222 [0,1,1,0,0,0|1,0,1]=4 7141 B17R1.26833 CCC(C)CCC(C)OCCc1ccccc1 7a_200011216552_100000765856 [0,1,1,0,0,0|1,0,0]=3 7142 B17R1.26833 CCC(C)CCC(C)OCCc1ccccn1 7a_200011216552_100015183660 [0,1,1,0,0,0|2,0,0]=4 7143 B17R1.26833 CCC(C)CCC(C)OCCc1cccnc1 7a_200011216552_200011713674 [0,1,1,0,0,0|2,0,0]=4 7144 B17R1.26833 CCC(C)CCC(C)OCCc1ccncc1 7a_200011216552_100000723409 [0,1,1,0,0,0|2,0,0]=4 7145 B17R1.26833 CCC(C)CNC(C)CCCc1ccccc1 2230a_100020588543_200010759516 [0,1,1,0,0,0|2,0,0]=4 7146 B17R1.26833 CCC(C)CSC(C)CCCc1ccccc1 62a_100000748023_200010759516 [0,1,1,0,0,0|2,0,0]=4 7147 B17R1.26833 CCC(C)CSC(C)CCCc1ccccc1 62a_200010759516_100000748023 [0,1,1,0,0,0|2,0,0]=4 7148 B17R1.26833 CCC(O)CCC(=O)NCCc1ccccc1 1626a_100000106460_203496584001 [0,1,1,0,0,0|1,0,1]=4 7149 B17R1.26833 CCC(O)CCC(=O)NCCc1ccccc1 240690a_100000106460_203496584001 [0,1,1,0,0,0|1,0,1]=4 7150 B17R1.26833 CCC(O)CNC(C)CCCc1ccccc1 2230a_100011218483_200010759516 [0,1,1,0,0,0|2,0,0]=4 7151 B17R1.26833 CCC(O)CSC(C)CCCc1ccccc1 62a_100011218378_200010759516 [0,1,1,0,0,0|2,0,0]=4 7152 B17R1.26833 CCC(O)CSC(C)CCCc1ccccc1 62a_200010759516_100011218378 [0,1,1,0,0,0|2,0,0]=4 7153 B17R1.26833 CC[C@H](C)COC(C)CCCc1ccccc1 7a_100009816381_200010759516 [0,1,1,0,0,0|2,0,0]=4 7154 B17R1.26833 CC[C@H](C)CSC(C)CCCc1ccccc1 62a_100009816398_200010759516 [0,1,1,0,0,0|2,0,0]=4 7155 B17R1.26833 CC[C@H](C)CSC(C)CCCc1ccccc1 62a_200010759516_100009816398 [0,1,1,0,0,0|2,0,0]=4 7156 B17R1.29550 CCCCCS(=O)(=O)NCCc1ccccc1 270084a_100000106460_100000753860 [0,1,1,0,0,0|2,0,0]=4 7157 B17R1.29550 CCCCCS(=O)(=O)NCCc1ccccc1 274078a_100000106460_100000753860 [0,1,1,0,0,0|2,0,0]=4 7158 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 207a_100000209976_100000186029 [0,1,1,0,0,0|2,0,0]=4 7159 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 2230a_100000174875_100000211942 [0,1,1,0,0,0|2,0,0]=4 7160 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 2230a_100000209976_100011217064 [0,1,1,0,0,0|2,0,0]=4 7161 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 269862a_100000174875_100011219736 [0,1,1,0,0,0|2,0,0]=4 7162 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 26a_100000209976_100000185759 [0,1,1,0,0,0|2,0,0]=4 7163 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 270004a_100000174875_100011219736 [0,1,1,0,0,0|2,0,0]=4 7164 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 270004a_100000209976_100000186029 [0,1,1,0,0,0|2,0,0]=4 7165 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Br 34a_100000174875_100000211942 [0,1,1,0,0,0|2,0,0]=4 7166 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 207a_100000209976_100000211033 [0,1,1,0,0,0|2,0,0]=4 7167 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 2230a_100000174908_100000211942 [0,1,1,0,0,0|2,0,0]=4 7168 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 2230a_100000209976_100000210814 [0,1,1,0,0,0|2,0,0]=4 7169 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 269862a_100000174908_100011219736 [0,1,1,0,0,0|2,0,0]=4 7170 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 26a_100000209976_200020625495 [0,1,1,0,0,0|2,0,0]=4 7171 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 270004a_100000174908_100011219736 [0,1,1,0,0,0|2,0,0]=4 7172 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 270004a_100000209976_100000211033 [0,1,1,0,0,0|2,0,0]=4 7173 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)C 34a_100000174908_100000211942 [0,1,1,0,0,0|2,0,0]=4 7174 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 207a_100000209976_100000189385 [0,1,1,0,0,0|2,0,0]=4 7175 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 2230a_100000174871_100000211942 [0,1,1,0,0,0|2,0,0]=4 7176 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 2230a_100000209976_100000694040 [0,1,1,0,0,0|2,0,0]=4 7177 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 269862a_100000174871_100011219736 [0,1,1,0,0,0|2,0,0]=4 7178 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 270004a_100000174871_100011219736 [0,1,1,0,0,0|2,0,0]=4 7179 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 270004a_100000209976_100000189385 [0,1,1,0,0,0|2,0,0]=4 7180 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)Cl 34a_100000174871_100000211942 [0,1,1,0,0,0|2,0,0]=4 7181 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 207a_100000209976_100000210084 [0,1,1,0,0,0|2,0,0]=4 7182 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 2230a_100000174882_100000211942 [0,1,1,0,0,0|2,0,0]=4 7183 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 2230a_100000209976_100000198546 [0,1,1,0,0,0|2,0,0]=4 7184 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 269862a_100000174882_100011219736 [0,1,1,0,0,0|2,0,0]=4 7185 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 270004a_100000174882_100011219736 [0,1,1,0,0,0|2,0,0]=4 7186 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 270004a_100000209976_100000210084 [0,1,1,0,0,0|2,0,0]=4 7187 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)F 34a_100000174882_100000211942 [0,1,1,0,0,0|2,0,0]=4 7188 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)I 207a_100000209976_100000188517 [0,1,1,0,0,0|2,0,0]=4 7189 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)I 2230a_100000209976_100000189116 [0,1,1,0,0,0|2,0,0]=4 7190 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)I 2230a_100016989417_100000211942 [0,1,1,0,0,0|2,0,0]=4 7191 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)I 269862a_100016989417_100011219736 [0,1,1,0,0,0|2,0,0]=4 7192 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)I 270004a_100016989417_100011219736 [0,1,1,0,0,0|2,0,0]=4 7193 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)I 34a_100016989417_100000211942 [0,1,1,0,0,0|2,0,0]=4 7194 B17R1.5 CCCCC(CC)CNCc1ccc(cc1)O 34a_100000185549_100000211942 [0,1,1,0,0,0|2,0,0]=4 7195 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Br 34a_100000210273_100000189115 [0,1,1,0,0,0|2,0,0]=4 7196 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Br 34a_100000695286_100000211942 [0,1,1,0,0,0|2,0,0]=4 7197 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Br 7a_100000210273_100011217064 [0,1,1,0,0,0|2,0,0]=4 7198 B17R1.5 CCCCC(CC)COCc1ccc(cc1)C 34a_100000210273_100000210814 [0,1,1,0,0,0|2,0,0]=4 7199 B17R1.5 CCCCC(CC)COCc1ccc(cc1)C 34a_100011215236_100000211942 [0,1,1,0,0,0|2,0,0]=4 7200 B17R1.5 CCCCC(CC)COCc1ccc(cc1)C 7a_100000210273_100000210814 [0,1,1,0,0,0|2,0,0]=4 7201 B17R1.5 CCCCC(CC)COCc1ccc(cc1)C 7a_100011215236_100000211942 [0,1,1,0,0,0|2,0,0]=4 7202 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Cl 34a_100000210273_100000694040 [0,1,1,0,0,0|2,0,0]=4 7203 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Cl 34a_100000211118_100000211942 [0,1,1,0,0,0|2,0,0]=4 7204 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Cl 7a_100000210273_100000187161 [0,1,1,0,0,0|2,0,0]=4 7205 B17R1.5 CCCCC(CC)COCc1ccc(cc1)Cl 7a_100000211118_100000211942 [0,1,1,0,0,0|2,0,0]=4 7206 B17R1.5 CCCCC(CC)COCc1ccc(cc1)F 34a_100000210273_100000198546 [0,1,1,0,0,0|2,0,0]=4 7207 B17R1.5 CCCCC(CC)COCc1ccc(cc1)F 34a_100000210977_100000211942 [0,1,1,0,0,0|2,0,0]=4 7208 B17R1.5 CCCCC(CC)COCc1ccc(cc1)F 7a_100000210273_100000198546 [0,1,1,0,0,0|2,0,0]=4 7209 B17R1.5 CCCCC(CC)COCc1ccc(cc1)F 7a_100000210977_100000211942 [0,1,1,0,0,0|2,0,0]=4 7210 B17R1.5 CCCCC(CC)COCc1ccc(cc1)I 34a_100000210273_100000189116 [0,1,1,0,0,0|2,0,0]=4 7211 B17R1.5 CCCCC(CC)COCc1ccc(cc1)I 34a_100000690907_100000211942 [0,1,1,0,0,0|2,0,0]=4 7212 B17R1.5 CCCCC(CC)COCc1ccc(cc1)I 7a_100000210273_100000189116 [0,1,1,0,0,0|2,0,0]=4 7213 B17R1.5 CCCCC(CC)COCc1ccc(cc1)I 7a_100000690907_100000211942 [0,1,1,0,0,0|2,0,0]=4 7214 B17R1.5 CCCCC(CC)COCc1ccc(cc1)N 34a_100011215238_100000211942 [0,1,1,0,0,0|2,0,0]=4 7215 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)Br 62a_100000189115_100000211942 [0,1,1,0,0,0|2,0,0]=4 7216 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)Br 62a_100000211942_100000189115 [0,1,1,0,0,0|2,0,0]=4 7217 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)C 62a_100000210814_100000211942 [0,1,1,0,0,0|2,0,0]=4 7218 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)C 62a_100000211942_100000210814 [0,1,1,0,0,0|2,0,0]=4 7219 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)Cl 62a_100000187161_100000211942 [0,1,1,0,0,0|2,0,0]=4 7220 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)Cl 62a_100000211942_100000187161 [0,1,1,0,0,0|2,0,0]=4 7221 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)F 62a_100000198546_100000211942 [0,1,1,0,0,0|2,0,0]=4 7222 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)F 62a_100000211942_100000187164 [0,1,1,0,0,0|2,0,0]=4 7223 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)I 62a_100000189116_100000211942 [0,1,1,0,0,0|2,0,0]=4 7224 B17R1.5 CCCCC(CC)CSCc1ccc(cc1)I 62a_100000211942_100000189116 [0,1,1,0,0,0|2,0,0]=4 7225 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Br 270004a_100000755846_100000753412 [0,1,1,0,0,0|0,0,0]=2 7226 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Br 34a_100000755846_200011216223 [0,1,1,0,0,0|0,0,0]=2 7227 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)C 270004a_100000705350_100000753412 [0,1,1,0,0,0|0,0,0]=2 7228 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)C 34a_100000705350_200011216223 [0,1,1,0,0,0|0,0,0]=2 7229 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Cl 270004a_100000185265_100000753412 [0,1,1,0,0,0|0,0,0]=2 7230 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Cl 34a_100000185265_200011216223 [0,1,1,0,0,0|0,0,0]=2 7231 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)F 270004a_100000199005_100000753412 [0,1,1,0,0,0|0,0,0]=2 7232 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)F 34a_100000199005_200011216223 [0,1,1,0,0,0|0,0,0]=2 7233 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)O 270004a_100000743037_100000753412 [0,1,1,0,0,0|0,0,0]=2 7234 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)O 34a_100000743037_200011216223 [0,1,1,0,0,0|0,0,0]=2 7235 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 34a_100000766406_200011216223 [0,1,1,0,0,0|1,0,0]=3 7236 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 34a_100011215227_100011740612 [0,1,1,0,0,0|1,0,0]=3 7237 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 7a_100000766406_200011216223 [0,1,1,0,0,0|1,0,0]=3 7238 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 7a_100011215227_100011740612 [0,1,1,0,0,0|1,0,0]=3 7239 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 34a_100000756670_200011216223 [0,1,1,0,0,0|1,0,0]=3 7240 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 34a_100011215227_100011713686 [0,1,1,0,0,0|1,0,0]=3 7241 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 7a_100000756670_200011216223 [0,1,1,0,0,0|1,0,0]=3 7242 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 7a_100011215227_100011713686 [0,1,1,0,0,0|1,0,0]=3 7243 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 34a_100011215227_100011713675 [0,1,1,0,0,0|1,0,0]=3 7244 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 34a_100011219627_200011216223 [0,1,1,0,0,0|1,0,0]=3 7245 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 7a_100011215227_100011713675 [0,1,1,0,0,0|1,0,0]=3 7246 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 7a_100011219627_200011216223 [0,1,1,0,0,0|1,0,0]=3 7247 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 34a_100000754732_200011216223 [0,1,1,0,0,0|1,0,0]=3 7248 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 34a_100011215227_100011217392 [0,1,1,0,0,0|1,0,0]=3 7249 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 7a_100000754732_200011216223 [0,1,1,0,0,0|1,0,0]=3 7250 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 7a_100011215227_100011217392 [0,1,1,0,0,0|1,0,0]=3 7251 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)I 34a_100012291149_200011216223 [0,1,1,0,0,0|1,0,0]=3 7252 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)I 7a_100012291149_200011216223 [0,1,1,0,0,0|1,0,0]=3 7253 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)N 34a_100011204434_200011216223 [0,1,1,0,0,0|1,0,0]=3 7254 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)O 7a_100011215227_100009816426 [0,1,1,0,0,0|1,0,0]=3 7255 B17R1.5 CCCCC(CC)OCCc1ccc(cn1)Br 34a_100012357577_200011216223 [0,1,1,0,0,0|2,0,0]=4 7256 B17R1.5 CCCCC(CC)OCCc1ccc(nc1)C 34a_100011815783_200011216223 [0,1,1,0,0,0|2,0,0]=4 7257 B17R1.5 CCCCC(CC)OCCc1ccc(nc1)Cl 34a_100009880866_200011216223 [0,1,1,0,0,0|2,0,0]=4 7258 B17R1.5 CCCCC(CC)OCCc1ccc(nc1)Cl 7a_100009880866_200011216223 [0,1,1,0,0,0|2,0,0]=4 7259 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)Br 62a_100011740612_200011216223 [0,1,1,0,0,0|1,0,0]=3 7260 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)Br 62a_200011216223_100011740612 [0,1,1,0,0,0|1,0,0]=3 7261 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)C 62a_100011713686_200011216223 [0,1,1,0,0,0|1,0,0]=3 7262 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)C 62a_200011216223_100011713686 [0,1,1,0,0,0|1,0,0]=3 7263 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)Cl 62a_100011713675_200011216223 [0,1,1,0,0,0|1,0,0]=3 7264 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)Cl 62a_200011216223_100011713675 [0,1,1,0,0,0|1,0,0]=3 7265 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)F 62a_100011217392_200011216223 [0,1,1,0,0,0|1,0,0]=3 7266 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)F 62a_200011216223_100011217392 [0,1,1,0,0,0|1,0,0]=3 7267 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)O 62a_100009816426_200011216223 [0,1,1,0,0,0|1,0,0]=3 7268 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)O 62a_200011216223_100009816426 [0,1,1,0,0,0|1,0,0]=3 7269 B17R1.5 CCCCN(CC)CCCc1ccc(cc1)Br 2230a_100000207695_100011713682 [0,1,1,0,0,0|2,0,0]=4 7270 B17R1.5 CCCCN(CC)CCCc1ccc(cc1)Br 269982a_100000207695_100011713682 [0,1,1,0,0,0|2,0,0]=4 7271 B17R1.5 CCCCN(CC)CCCc1ccc(cc1)Cl 2230a_100000207695_100000759440 [0,1,1,0,0,0|2,0,0]=4 7272 B17R1.5 CCCCN(CC)CCCc1ccc(cc1)Cl 269982a_100000207695_100000759440 [0,1,1,0,0,0|2,0,0]=4 7273 B17R1.5 CCCCN(CC)CCCc1ccc(cc1)F 2230a_100000207695_200011713563 [0,1,1,0,0,0|2,0,0]=4 7274 B17R1.5 CCCCN(CC)CCCc1ccc(cc1)F 269982a_100000207695_200011713563 [0,1,1,0,0,0|2,0,0]=4 7275 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Br 2230a_100011934283_100011740612 [0,1,1,0,0,0|1,0,0]=3 7276 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Br 34a_100011934283_100011740612 [0,1,1,0,0,0|1,0,0]=3 7277 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)C 2230a_100011934283_100011713686 [0,1,1,0,0,0|1,0,0]=3 7278 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)C 34a_100011934283_100011713686 [0,1,1,0,0,0|1,0,0]=3 7279 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Cl 2230a_100011934283_100011713675 [0,1,1,0,0,0|1,0,0]=3 7280 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Cl 34a_100011934283_100011713675 [0,1,1,0,0,0|1,0,0]=3 7281 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)F 2230a_100011934283_100011217392 [0,1,1,0,0,0|1,0,0]=3 7282 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)F 34a_100011934283_100011217392 [0,1,1,0,0,0|1,0,0]=3 7283 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)O 2230a_100011934283_100009816426 [0,1,1,0,0,0|1,0,0]=3 7284 B17R1.5 CSCC[C@@H](CO)NCCc1ccc(cc1)Br 2230a_100011827619_100011740612 [0,1,1,0,0,0|2,0,0]=4 7285 B17R1.5 CSCC[C@@H](CO)NCCc1ccc(cc1)C 2230a_100011827619_100011713686 [0,1,1,0,0,0|2,0,0]=4 7286 B17R1.5 CSCC[C@@H](CO)NCCc1ccc(cc1)Cl 2230a_100011827619_100011713675 [0,1,1,0,0,0|2,0,0]=4 7287 B17R1.5 CSCC[C@@H](CO)NCCc1ccc(cc1)F 2230a_100011827619_100011217392 [0,1,1,0,0,0|2,0,0]=4 7288 B17R1.5 CSCC[C@@H](CO)NCCc1ccc(cc1)O 2230a_100011827619_100009816426 [0,1,1,0,0,0|2,0,0]=4 7289 B17R1.2442 CCC(CCC(C)C)OCCc1ccccc1 34a_100011216567_100000765856 [0,1,1,0,0,0|1,0,0]=3 7290 B17R1.2442 CCC(CCC(C)C)OCCc1ccccc1 7a_100011216567_100000765856 [0,1,1,0,0,0|1,0,0]=3 7291 B17R1.2442 CCC(CCC(C)C)OCCc1ccccn1 7a_100011216567_100015183660 [0,1,1,0,0,0|2,0,0]=4 7292 B17R1.2442 CCC(CCC(C)C)OCCc1cccnc1 7a_100011216567_200011713674 [0,1,1,0,0,0|2,0,0]=4 7293 B17R1.2442 CCC(CCC(C)C)OCCc1ccncc1 7a_100011216567_100000723409 [0,1,1,0,0,0|2,0,0]=4 7294 B17R1.2442 CCN(CCCc1ccccc1)CCC(C)C 2230a_100000207693_100000211621 [0,1,1,0,0,0|2,0,0]=4 7295 B17R1.2442 CCN(CCCc1ccccc1)CCC(C)C 269982a_100000207693_100000211621 [0,1,1,0,0,0|2,0,0]=4 7296 B17R1.4081 CCCCC(CC)CN(C)Cc1ccccc1 2230a_100000186898_100000211942 [0,1,1,0,0,0|2,0,0]=4 7297 B17R1.4081 CCCCC(CC)CN(C)Cc1ccccc1 269982a_100000186898_100000211942 [0,1,1,0,0,0|2,0,0]=4 7298 B17R1.4081 CCCCC(CC)CN(C)Cc1ccccc1 270004a_100000186898_100011219736 [0,1,1,0,0,0|2,0,0]=4 7299 B17R1.4081 CCCCC(CC)NC(C)Cc1ccccn1 270004a_100000238496_100000753412 [0,1,1,0,0,0|1,0,0]=3 7300 B17R1.4081 CCCCC(CC)NC(C)Cc1cccnc1 270004a_100011207255_100000753412 [0,1,1,0,0,0|1,0,0]=3 7301 B17R1.4081 CCCCC(CC)NC(C)Cc1cnccn1 270004a_100011277835_100000753412 [0,1,1,0,0,0|2,0,0]=4 7302 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 34a_100000748627_200011216223 [0,1,1,0,0,0|1,0,0]=3 7303 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 34a_100011215227_200011218536 [0,1,1,0,0,0|1,0,0]=3 7304 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 7a_100000748627_200011216223 [0,1,1,0,0,0|1,0,0]=3 7305 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 7a_100011215227_200011218536 [0,1,1,0,0,0|1,0,0]=3 7306 B17R1.4081 CCCCC(CC)SC(C)Cc1ccccc1 62a_200011216223_200011218536 [0,1,1,0,0,0|1,0,0]=3 7307 B17R1.4081 CCCCC(CC)SC(C)Cc1ccccc1 62a_200011218536_200011216223 [0,1,1,0,0,0|1,0,0]=3 7308 B17R1.4081 CCCCN(CC)C[C@@H](O)Cc1ccccc1 2230a_100000207695_100000729385 [0,1,1,0,0,0|2,0,0]=4 7309 B17R1.4081 CCCCN(CC)C[C@@H](O)Cc1ccccc1 269982a_100000207695_100000729385 [0,1,1,0,0,0|2,0,0]=4 7310 B17R1.4081 CCCC[C@@H](CO)NC(C)C[n+]1ccccc1 270004a_100011934283_100000034229 [0,1,1,0,0,0|2,0,0]=4 7311 B17R1.4081 CCCC[C@@H](CO)NC(C)Cc1ccccc1 34a_100011934283_200011218536 [0,1,1,0,0,0|1,0,0]=3 7312 B17R1.4081 CCCC[C@@H](CO)NC(C)Cc1cccnc1 270004a_100011934283_100015187140 [0,1,1,0,0,0|2,0,0]=4 7313 B17R1.4081 CCCC[C@@H](CO)NC(C)Cc1ccncc1 270004a_100011934283_100000238508 [0,1,1,0,0,0|2,0,0]=4 7314 B17R1.4100 CCCCC(CC)C(=O)CCc1ccccc1 1458a_100000185753_200011216223 [0,1,1,0,0,0|1,0,0]=3 7315 B17R1.4100 CCCCC(CC)C(=O)CCc1ccccc1 1458a_100000211130_100000765856 [0,1,1,0,0,0|1,0,0]=3 7316 B17R1.4100 CCCCC(CC)C(=O)CCc1ccccn1 1458a_100000211130_100015183660 [0,1,1,0,0,0|2,0,0]=4 7317 B17R1.4100 CCCCC(CC)C(=O)CCc1ccccn1 1458a_100015195070_200011216223 [0,1,1,0,0,0|2,0,0]=4 7318 B17R1.4100 CCCCC(CC)C(=O)CCc1cccnc1 1458a_100000198484_200011216223 [0,1,1,0,0,0|2,0,0]=4 7319 B17R1.4100 CCCCC(CC)C(=O)CCc1cccnc1 1458a_100000211130_200011713674 [0,1,1,0,0,0|2,0,0]=4 7320 B17R1.4100 CCCCC(CC)C(=O)CCc1ccncc1 1458a_100000211130_100000723409 [0,1,1,0,0,0|2,0,0]=4 7321 B17R1.4100 CCCCC(CC)C(=O)CCc1ccncc1 1458a_100011225043_200011216223 [0,1,1,0,0,0|2,0,0]=4 7322 B17R1.4100 CCCCC(CC)C(=O)COc1ccccc1 1458a_100000186222_200011216223 [0,1,1,0,0,0|2,0,0]=4 7323 B17R1.4100 CCCCC(CC)C(=O)CSc1ccccc1 1458a_100000211596_200011216223 [0,1,1,0,0,0|2,0,0]=4 7324 B17R1.4100 CCCCC(CC)C(=O)NCc1ccccc1 11a_100015324214_100000211130 [0,1,1,0,0,0|2,0,0]=4 7325 B17R1.4100 CCCCC(CC)C(=O)NCc1ccccc1 1626a_100015324214_100000211130 [0,1,1,0,0,0|2,0,0]=4 7326 B17R1.4100 CCCCC(CC)C(=O)NCc1ccccc1 240690a_100015324214_100000211130 [0,1,1,0,0,0|2,0,0]=4 7327 B17R1.4100 CCCCC(CC)C(=O)NCc1ccccc1 527a_100015324214_100000211130 [0,1,1,0,0,0|2,0,0]=4 7328 B17R1.4100 CCCCC(CC)C(C)OCc1ccccc1 34a_200011290779_100015291786 [0,1,1,0,0,0|2,0,0]=4 7329 B17R1.4100 CCCCC(CC)C(C)OCc1ccccc1 7a_200011290779_100000211182 [0,1,1,0,0,0|2,0,0]=4 7330 B17R1.4100 CCCCC(CC)N(C)CCc1ccccc1 269982a_100000207497_200011216223 [0,1,1,0,0,0|0,0,0]=2 7331 B17R1.4100 CCCCC(CC)N(C)CCc1ccccc1 270004a_100000207497_100000753412 [0,1,1,0,0,0|0,0,0]=2 7332 B17R1.4100 CCCCC(CC)N(C)CCc1ccccn1 269982a_100000737206_200011216223 [0,1,1,0,0,0|1,0,0]=3 7333 B17R1.4100 CCCCC(CC)N(C)CCc1ccccn1 270004a_100000737206_100000753412 [0,1,1,0,0,0|1,0,0]=3 7334 B17R1.4100 CCCCC(CC)N(C)CCc1cccnc1 269982a_100000763209_200011216223 [0,1,1,0,0,0|1,0,0]=3 7335 B17R1.4100 CCCCC(CC)N(C)CCc1cccnc1 270004a_100000763209_100000753412 [0,1,1,0,0,0|1,0,0]=3 7336 B17R1.4100 CCCCC(CC)N(C)CCc1ccncc1 269982a_100000742850_200011216223 [0,1,1,0,0,0|1,0,0]=3 7337 B17R1.4100 CCCCC(CC)N(C)CCc1ccncc1 270004a_100000742850_100000753412 [0,1,1,0,0,0|1,0,0]=3 7338 B17R1.4100 CCCCN(CC)C(=O)CCc1ccccc1 11a_100000207695_100000185753 [0,1,1,0,0,0|2,0,0]=4 7339 B17R1.4100 CCCCN(CC)C(=O)CCc1ccccc1 1626a_100000207695_100000185753 [0,1,1,0,0,0|2,0,0]=4 7340 B17R1.4100 CCCCN(CC)C(=O)CCc1ccccc1 240690a_100000207695_100000185753 [0,1,1,0,0,0|2,0,0]=4 7341 B17R1.4100 CCCCN(CC)C(=O)CCc1ccccc1 527a_100000207695_100000185753 [0,1,1,0,0,0|2,0,0]=4 7342 B17R1.4100 CCCCN(CC)C(C)CCc1ccccc1 270004a_100000207695_100000210092 [0,1,1,0,0,0|2,0,0]=4 7343 B17R1.4951 CCCCC(CC)CNC(C)c1ccccc1 2230a_100000209976_100000230085 [0,1,1,0,0,0|2,0,0]=4 7344 B17R1.4951 CCCCC(CC)CNC(C)c1ccccc1 269862a_100000209976_100000185851 [0,1,1,0,0,0|2,0,0]=4 7345 B17R1.4951 CCCCC(CC)CN[C@H](C)c1ccccc1 2230a_100000751104_100000211942 [0,1,1,0,0,0|2,0,0]=4 7346 B17R1.4951 CCCCC(CC)CN[C@H](C)c1ccccc1 269862a_100000751104_100011219736 [0,1,1,0,0,0|2,0,0]=4 7347 B17R1.4951 CCCCC(CC)CN[C@H](C)c1ccccc1 270004a_100000751104_100011219736 [0,1,1,0,0,0|2,0,0]=4 7348 B17R1.4951 CCCCC(CC)COC(C)c1ccccc1 34a_100000210273_100000211855 [0,1,1,0,0,0|2,0,0]=4 7349 B17R1.4951 CCCCC(CC)COC(C)c1ccccc1 7a_100000210273_100000230085 [0,1,1,0,0,0|2,0,0]=4 7350 B17R1.4951 CCCCC(CC)CO[C@H](C)c1ccccc1 34a_100000761318_100000211942 [0,1,1,0,0,0|2,0,0]=4 7351 B17R1.4951 CCCCC(CC)CO[C@H](C)c1ccccc1 7a_100000761318_100000211942 [0,1,1,0,0,0|2,0,0]=4 7352 B17R1.4951 CCCCC(CC)CSC(C)c1ccccc1 62a_100000211942_100000230085 [0,1,1,0,0,0|2,0,0]=4 7353 B17R1.4951 CCCCC(CC)CSC(C)c1ccccc1 62a_100000230085_100000211942 [0,1,1,0,0,0|2,0,0]=4 7354 B17R1.4951 CCCCC(CC)NCC(C)c1ccccc1 270004a_100000701038_100000753412 [0,1,1,0,0,0|0,0,0]=2 7355 B17R1.4951 CCCCC(CC)NCC(C)c1ccccc1 34a_100000701038_200011216223 [0,1,1,0,0,0|0,0,0]=2 7356 B17R1.4951 CCCCC(CC)NCC(O)c1ccccc1 270004a_100000210709_100000753412 [0,1,1,0,0,0|0,0,0]=2 7357 B17R1.4951 CCCCC(CC)NCC(O)c1ccccn1 270004a_100000691469_100000753412 [0,1,1,0,0,0|1,0,0]=3 7358 B17R1.4951 CCCCC(CC)NCC(O)c1cccnc1 270004a_100020605170_100000753412 [0,1,1,0,0,0|1,0,0]=3 7359 B17R1.4951 CCCCC(CC)OCC(=O)c1ccccc1 7a_100011215227_100000211460 [0,1,1,0,0,0|1,0,1]=4 7360 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 34a_100011215166_200011216223 [0,1,1,0,0,0|1,0,0]=3 7361 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 34a_100011215227_100000756946 [0,1,1,0,0,0|1,0,0]=3 7362 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 7a_100011215166_200011216223 [0,1,1,0,0,0|1,0,0]=3 7363 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 7a_100011215227_100000756946 [0,1,1,0,0,0|1,0,0]=3 7364 B17R1.4951 CCCCC(CC)OCC(O)c1ccccc1 34a_100011215227_100000185958 [0,1,1,0,0,0|1,0,0]=3 7365 B17R1.4951 CCCCC(CC)OCC(O)c1ccccc1 7a_100011215227_100000185958 [0,1,1,0,0,0|1,0,0]=3 7366 B17R1.4951 CCCCC(CC)OC[C@@H](N)c1ccccc1 34a_100000751927_200011216223 [0,1,1,0,0,0|1,0,0]=3 7367 B17R1.4951 CCCCC(CC)OC[C@@H](N)c1ccncc1 34a_100138412524_200011216223 [0,1,1,0,0,0|2,0,0]=4 7368 B17R1.4951 CCCCC(CC)OC[C@@H](O)c1ccccc1 34a_100011215227_100011933945 [0,1,1,0,0,0|1,0,0]=3 7369 B17R1.4951 CCCCC(CC)OC[C@@H](O)c1ccccc1 7a_100011215227_100011933945 [0,1,1,0,0,0|1,0,0]=3 7370 B17R1.4951 CCCCC(CC)SCC(=O)c1ccccc1 62a_100000211460_200011216223 [0,1,1,0,0,0|1,0,1]=4 7371 B17R1.4951 CCCCC(CC)SCC(=O)c1ccccc1 62a_200011216223_100000211460 [0,1,1,0,0,0|1,0,1]=4 7372 B17R1.4951 CCCCC(CC)SCC(C)c1ccccc1 62a_100000756946_200011216223 [0,1,1,0,0,0|1,0,0]=3 7373 B17R1.4951 CCCCC(CC)SCC(C)c1ccccc1 62a_200011216223_100000756946 [0,1,1,0,0,0|1,0,0]=3 7374 B17R1.4951 CCCCC(CC)SCC(O)c1ccccc1 62a_100000185958_200011216223 [0,1,1,0,0,0|1,0,0]=3 7375 B17R1.4951 CCCCC(CC)SCC(O)c1ccccc1 62a_200011216223_100000185958 [0,1,1,0,0,0|1,0,0]=3 7376 B17R1.4951 CCCCC(CC)SCS(=O)c1ccccc1 62a_200011216223_100000031784 [0,1,1,0,0,0|2,0,0]=4 7377 B17R1.4951 CCCCC(CC)SC[C@@H](O)c1ccccc1 62a_100011933945_200011216223 [0,1,1,0,0,0|1,0,0]=3 7378 B17R1.4951 CCCCC(CC)SC[C@@H](O)c1ccccc1 62a_200011216223_100011933945 [0,1,1,0,0,0|1,0,0]=3 7379 B17R1.4951 CCCCN(CC)CCC(C)c1ccccc1 270004a_100000207695_100000189432 [0,1,1,0,0,0|2,0,0]=4 7380 B17R1.4951 CCCCN(CC)CC[C@@H](O)c1ccccc1 2230a_100000207695_100000729684 [0,1,1,0,0,0|2,0,0]=4 7381 B17R1.4951 CCCCN(CC)CC[C@@H](O)c1ccccc1 269982a_100000207695_100000729684 [0,1,1,0,0,0|2,0,0]=4 7382 B17R1.4951 CCCC[C@@H](CO)NCC(C)c1ccccc1 2230a_100011934283_100000756946 [0,1,1,0,0,0|1,0,0]=3 7383 B17R1.4951 CCCC[C@@H](CO)NCC(C)c1ccccc1 270004a_100011934283_100000212034 [0,1,1,0,0,0|1,0,0]=3 7384 B17R1.4951 CCCC[C@@H](CO)NCC(C)c1ccccc1 34a_100011934283_100000756946 [0,1,1,0,0,0|1,0,0]=3 7385 B17R1.4951 CCCC[C@@H](CO)NCC(O)c1ccccc1 2230a_100011934283_100000185958 [0,1,1,0,0,0|1,0,0]=3 7386 B17R1.4951 CCCC[C@@H](CO)NCC(O)c1ccccc1 34a_100011934283_100000185958 [0,1,1,0,0,0|1,0,0]=3 7387 B17R1.4951 CCCC[C@@H](CO)NC[C@@H](O)c1ccccc1 2230a_100011934283_100011933945 [0,1,1,0,0,0|1,0,0]=3 7388 B17R1.4951 CCCC[C@@H](CO)NC[C@@H](O)c1ccccc1 34a_100011934283_100011933945 [0,1,1,0,0,0|1,0,0]=3 7389 B17R1.4951 CSCC[C@@H](CO)NCC(C)c1ccccc1 2230a_100011827619_100000756946 [0,1,1,0,0,0|2,0,0]=4 7390 B17R1.4951 CSCC[C@@H](CO)NCC(C)c1ccccc1 270004a_100011827619_100000212034 [0,1,1,0,0,0|2,0,0]=4 7391 B17R1.4951 CSCC[C@@H](CO)NCC(O)c1ccccc1 2230a_100011827619_100000185958 [0,1,1,0,0,0|2,0,0]=4 7392 B17R1.4951 CSCC[C@@H](CO)NC[C@@H](O)c1ccccc1 2230a_100011827619_100011933945 [0,1,1,0,0,0|2,0,0]=4 7393 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 207a_100000209976_100000210085 [0,1,1,0,0,0|2,0,0]=4 7394 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 2230a_100000174977_100000211942 [0,1,1,0,0,0|2,0,0]=4 7395 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 2230a_100000209976_100000698116 [0,1,1,0,0,0|2,0,0]=4 7396 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 269862a_100000174977_100011219736 [0,1,1,0,0,0|2,0,0]=4 7397 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 26a_100000209976_100000210342 [0,1,1,0,0,0|2,0,0]=4 7398 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 270004a_100000174977_100011219736 [0,1,1,0,0,0|2,0,0]=4 7399 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 270004a_100000209976_100000210085 [0,1,1,0,0,0|2,0,0]=4 7400 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Br 34a_100000174977_100000211942 [0,1,1,0,0,0|2,0,0]=4 7401 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 207a_100000209976_100000211157 [0,1,1,0,0,0|2,0,0]=4 7402 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 2230a_100000185548_100000211942 [0,1,1,0,0,0|2,0,0]=4 7403 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 2230a_100000209976_100000211840 [0,1,1,0,0,0|2,0,0]=4 7404 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 269862a_100000185548_100011219736 [0,1,1,0,0,0|2,0,0]=4 7405 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 270004a_100000185548_100011219736 [0,1,1,0,0,0|2,0,0]=4 7406 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 270004a_100000209976_100000211157 [0,1,1,0,0,0|2,0,0]=4 7407 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)C 34a_100000185548_100000211942 [0,1,1,0,0,0|2,0,0]=4 7408 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 207a_100000209976_100000210801 [0,1,1,0,0,0|2,0,0]=4 7409 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 2230a_100000174878_100000211942 [0,1,1,0,0,0|2,0,0]=4 7410 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 2230a_100000209976_100000181238 [0,1,1,0,0,0|2,0,0]=4 7411 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 269862a_100000174878_100011219736 [0,1,1,0,0,0|2,0,0]=4 7412 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 270004a_100000174878_100011219736 [0,1,1,0,0,0|2,0,0]=4 7413 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 270004a_100000209976_100000210801 [0,1,1,0,0,0|2,0,0]=4 7414 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)Cl 34a_100000174878_100000211942 [0,1,1,0,0,0|2,0,0]=4 7415 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 207a_100000209976_100000210812 [0,1,1,0,0,0|2,0,0]=4 7416 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 2230a_100000174948_100000211942 [0,1,1,0,0,0|2,0,0]=4 7417 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 2230a_100000209976_100000230114 [0,1,1,0,0,0|2,0,0]=4 7418 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 269862a_100000174948_100011219736 [0,1,1,0,0,0|2,0,0]=4 7419 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 270004a_100000174948_100011219736 [0,1,1,0,0,0|2,0,0]=4 7420 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 270004a_100000209976_100000210812 [0,1,1,0,0,0|2,0,0]=4 7421 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)F 34a_100000174948_100000211942 [0,1,1,0,0,0|2,0,0]=4 7422 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 207a_100000209976_100000014684 [0,1,1,0,0,0|2,0,0]=4 7423 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 2230a_100000106179_100000211942 [0,1,1,0,0,0|2,0,0]=4 7424 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 2230a_100000209976_100011218688 [0,1,1,0,0,0|2,0,0]=4 7425 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 269862a_100000106179_100011219736 [0,1,1,0,0,0|2,0,0]=4 7426 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 270004a_100000106179_100011219736 [0,1,1,0,0,0|2,0,0]=4 7427 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 270004a_100000209976_100000014684 [0,1,1,0,0,0|2,0,0]=4 7428 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)I 34a_100000106179_100000211942 [0,1,1,0,0,0|2,0,0]=4 7429 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 207a_100000209976_100000188321 [0,1,1,0,0,0|2,0,0]=4 7430 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 2230a_100000209976_100011660834 [0,1,1,0,0,0|2,0,0]=4 7431 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 2230a_100000743036_100000211942 [0,1,1,0,0,0|2,0,0]=4 7432 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 269862a_100000743036_100011219736 [0,1,1,0,0,0|2,0,0]=4 7433 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 270004a_100000209976_100000188321 [0,1,1,0,0,0|2,0,0]=4 7434 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 270004a_100000743036_100011219736 [0,1,1,0,0,0|2,0,0]=4 7435 B17R1.4975 CCCCC(CC)CNCc1cccc(c1)O 34a_100000743036_100000211942 [0,1,1,0,0,0|2,0,0]=4 7436 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Br 34a_100000210273_100000698116 [0,1,1,0,0,0|2,0,0]=4 7437 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Br 34a_100000687537_100000211942 [0,1,1,0,0,0|2,0,0]=4 7438 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Br 7a_100000210273_100000211773 [0,1,1,0,0,0|2,0,0]=4 7439 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Br 7a_100000687537_100000211942 [0,1,1,0,0,0|2,0,0]=4 7440 B17R1.4975 CCCCC(CC)COCc1cccc(c1)C 34a_100000210273_100000211840 [0,1,1,0,0,0|2,0,0]=4 7441 B17R1.4975 CCCCC(CC)COCc1cccc(c1)C 34a_100011217746_100000211942 [0,1,1,0,0,0|2,0,0]=4 7442 B17R1.4975 CCCCC(CC)COCc1cccc(c1)C 7a_100000210273_100000211840 [0,1,1,0,0,0|2,0,0]=4 7443 B17R1.4975 CCCCC(CC)COCc1cccc(c1)C 7a_100011217746_100000211942 [0,1,1,0,0,0|2,0,0]=4 7444 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Cl 34a_100000210273_100000187163 [0,1,1,0,0,0|2,0,0]=4 7445 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Cl 34a_100000241301_100000211942 [0,1,1,0,0,0|2,0,0]=4 7446 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Cl 7a_100000210273_100000187163 [0,1,1,0,0,0|2,0,0]=4 7447 B17R1.4975 CCCCC(CC)COCc1cccc(c1)Cl 7a_100000241301_100000211942 [0,1,1,0,0,0|2,0,0]=4 7448 B17R1.4975 CCCCC(CC)COCc1cccc(c1)F 34a_100000210273_100000187166 [0,1,1,0,0,0|2,0,0]=4 7449 B17R1.4975 CCCCC(CC)COCc1cccc(c1)F 34a_100000210976_100000211942 [0,1,1,0,0,0|2,0,0]=4 7450 B17R1.4975 CCCCC(CC)COCc1cccc(c1)F 7a_100000210273_100000230114 [0,1,1,0,0,0|2,0,0]=4 7451 B17R1.4975 CCCCC(CC)COCc1cccc(c1)F 7a_100000210976_100000211942 [0,1,1,0,0,0|2,0,0]=4 7452 B17R1.4975 CCCCC(CC)COCc1cccc(c1)I 34a_100000210273_100011218688 [0,1,1,0,0,0|2,0,0]=4 7453 B17R1.4975 CCCCC(CC)COCc1cccc(c1)I 34a_100011215336_100000211942 [0,1,1,0,0,0|2,0,0]=4 7454 B17R1.4975 CCCCC(CC)COCc1cccc(c1)I 7a_100000210273_100011218688 [0,1,1,0,0,0|2,0,0]=4 7455 B17R1.4975 CCCCC(CC)COCc1cccc(c1)I 7a_100011215336_100000211942 [0,1,1,0,0,0|2,0,0]=4 7456 B17R1.4975 CCCCC(CC)COCc1cccc(c1)N 34a_100000211919_100000211942 [0,1,1,0,0,0|2,0,0]=4 7457 B17R1.4975 CCCCC(CC)COCc1cccc(c1)O 34a_100000210273_100011660834 [0,1,1,0,0,0|2,0,0]=4 7458 B17R1.4975 CCCCC(CC)COCc1cccc(c1)O 7a_100000210273_100000084143 [0,1,1,0,0,0|2,0,0]=4 7459 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)Br 62a_100000211773_100000211942 [0,1,1,0,0,0|2,0,0]=4 7460 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)Br 62a_100000211942_100000211773 [0,1,1,0,0,0|2,0,0]=4 7461 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)C 62a_100000211840_100000211942 [0,1,1,0,0,0|2,0,0]=4 7462 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)C 62a_100000211942_100000211840 [0,1,1,0,0,0|2,0,0]=4 7463 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)Cl 62a_100000187163_100000211942 [0,1,1,0,0,0|2,0,0]=4 7464 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)Cl 62a_100000211942_100000187163 [0,1,1,0,0,0|2,0,0]=4 7465 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)F 62a_100000211942_100000230114 [0,1,1,0,0,0|2,0,0]=4 7466 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)F 62a_100000230114_100000211942 [0,1,1,0,0,0|2,0,0]=4 7467 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)I 62a_100000211942_100011218688 [0,1,1,0,0,0|2,0,0]=4 7468 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)I 62a_100011218688_100000211942 [0,1,1,0,0,0|2,0,0]=4 7469 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)O 62a_100000211942_100011660834 [0,1,1,0,0,0|2,0,0]=4 7470 B17R1.4975 CCCCC(CC)CSCc1cccc(c1)O 62a_100011660834_100000211942 [0,1,1,0,0,0|2,0,0]=4 7471 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Br 270004a_100011207229_100000753412 [0,1,1,0,0,0|0,0,0]=2 7472 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Br 34a_100011207229_200011216223 [0,1,1,0,0,0|0,0,0]=2 7473 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)C 270004a_100000749837_100000753412 [0,1,1,0,0,0|0,0,0]=2 7474 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)C 34a_100000749837_200011216223 [0,1,1,0,0,0|0,0,0]=2 7475 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Cl 270004a_100000185263_100000753412 [0,1,1,0,0,0|0,0,0]=2 7476 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Cl 34a_100000185263_200011216223 [0,1,1,0,0,0|0,0,0]=2 7477 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)F 270004a_100000205154_100000753412 [0,1,1,0,0,0|0,0,0]=2 7478 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)F 34a_100000205154_200011216223 [0,1,1,0,0,0|0,0,0]=2 7479 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)O 34a_100000747277_200011216223 [0,1,1,0,0,0|0,0,0]=2 7480 B17R1.4975 CCCCC(CC)NCCc1cccc(n1)C 270004a_100011824523_100000753412 [0,1,1,0,0,0|1,0,0]=3 7481 B17R1.4975 CCCCC(CC)NCCc1cccc(n1)C 34a_100011824523_200011216223 [0,1,1,0,0,0|1,0,0]=3 7482 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 34a_100011215227_100011740638 [0,1,1,0,0,0|1,0,0]=3 7483 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 34a_100011217444_200011216223 [0,1,1,0,0,0|1,0,0]=3 7484 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 7a_100011215227_100011740638 [0,1,1,0,0,0|1,0,0]=3 7485 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 7a_100011217444_200011216223 [0,1,1,0,0,0|1,0,0]=3 7486 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 34a_100011215227_100011713685 [0,1,1,0,0,0|1,0,0]=3 7487 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 34a_100011217157_200011216223 [0,1,1,0,0,0|1,0,0]=3 7488 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 7a_100011215227_100011713685 [0,1,1,0,0,0|1,0,0]=3 7489 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 7a_100011217157_200011216223 [0,1,1,0,0,0|1,0,0]=3 7490 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 34a_100000754733_200011216223 [0,1,1,0,0,0|1,0,0]=3 7491 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 34a_100011215227_100011713710 [0,1,1,0,0,0|1,0,0]=3 7492 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 7a_100000754733_200011216223 [0,1,1,0,0,0|1,0,0]=3 7493 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 7a_100011215227_100011713710 [0,1,1,0,0,0|1,0,0]=3 7494 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 34a_100000763591_200011216223 [0,1,1,0,0,0|1,0,0]=3 7495 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 34a_100011215227_100011217235 [0,1,1,0,0,0|1,0,0]=3 7496 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 7a_100000763591_200011216223 [0,1,1,0,0,0|1,0,0]=3 7497 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 7a_100011215227_100011217235 [0,1,1,0,0,0|1,0,0]=3 7498 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)N 34a_100011996697_200011216223 [0,1,1,0,0,0|1,0,0]=3 7499 B17R1.4975 CCCCC(CC)OCCc1cccc(n1)Br 34a_100010221043_200011216223 [0,1,1,0,0,0|2,0,0]=4 7500 B17R1.4975 CCCCC(CC)OCCc1cccc(n1)Br 7a_100010221043_200011216223 [0,1,1,0,0,0|2,0,0]=4 7501 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)Br 62a_100011740638_200011216223 [0,1,1,0,0,0|1,0,0]=3 7502 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)Br 62a_200011216223_100011740638 [0,1,1,0,0,0|1,0,0]=3 7503 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)C 62a_100011713685_200011216223 [0,1,1,0,0,0|1,0,0]=3 7504 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)C 62a_200011216223_100011713685 [0,1,1,0,0,0|1,0,0]=3 7505 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)Cl 62a_100011713710_200011216223 [0,1,1,0,0,0|1,0,0]=3 7506 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)Cl 62a_200011216223_100011713710 [0,1,1,0,0,0|1,0,0]=3 7507 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)F 62a_100011217235_200011216223 [0,1,1,0,0,0|1,0,0]=3 7508 B17R1.4975 CCCCC(CC)SCCc1cccc(c1)F 62a_200011216223_100011217235 [0,1,1,0,0,0|1,0,0]=3 7509 B17R1.4975 CCCCN(CC)CCCc1cccc(c1)Br 2230a_100000207695_100011713683 [0,1,1,0,0,0|2,0,0]=4 7510 B17R1.4975 CCCCN(CC)CCCc1cccc(c1)Br 269982a_100000207695_100011713683 [0,1,1,0,0,0|2,0,0]=4 7511 B17R1.4975 CCCCN(CC)CCCc1cccc(c1)F 2230a_100000207695_200000698031 [0,1,1,0,0,0|2,0,0]=4 7512 B17R1.4975 CCCCN(CC)CCCc1cccc(c1)F 269982a_100000207695_200000698031 [0,1,1,0,0,0|2,0,0]=4 7513 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Br 2230a_100011934283_100011740638 [0,1,1,0,0,0|1,0,0]=3 7514 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Br 34a_100011934283_100011740638 [0,1,1,0,0,0|1,0,0]=3 7515 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)C 2230a_100011934283_100011713685 [0,1,1,0,0,0|1,0,0]=3 7516 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)C 34a_100011934283_100011713685 [0,1,1,0,0,0|1,0,0]=3 7517 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Cl 2230a_100011934283_100011713710 [0,1,1,0,0,0|1,0,0]=3 7518 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Cl 34a_100011934283_100011713710 [0,1,1,0,0,0|1,0,0]=3 7519 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)F 2230a_100011934283_100011217235 [0,1,1,0,0,0|1,0,0]=3 7520 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)F 34a_100011934283_100011217235 [0,1,1,0,0,0|1,0,0]=3 7521 B17R1.4975 CSCC[C@@H](CO)NCCc1cccc(c1)Br 2230a_100011827619_100011740638 [0,1,1,0,0,0|2,0,0]=4 7522 B17R1.4975 CSCC[C@@H](CO)NCCc1cccc(c1)C 2230a_100011827619_100011713685 [0,1,1,0,0,0|2,0,0]=4 7523 B17R1.4975 CSCC[C@@H](CO)NCCc1cccc(c1)Cl 2230a_100011827619_100011713710 [0,1,1,0,0,0|2,0,0]=4 7524 B17R1.4975 CSCC[C@@H](CO)NCCc1cccc(c1)F 2230a_100011827619_100011217235 [0,1,1,0,0,0|2,0,0]=4 7525 B17R1.7964 CCC(C)CC(CC)NCCc1ccccc1 270004a_100000106460_100000184709 [0,1,1,0,0,0|0,0,0]=2 7526 B17R1.7964 CCC(C)CC(CC)NCCc1ccccn1 270004a_100000211156_100000184709 [0,1,1,0,0,0|1,0,0]=3 7527 B17R1.7964 CCC(C)CC(CC)NCCc1cccnc1 270004a_100000736294_100000184709 [0,1,1,0,0,0|1,0,0]=3 7528 B17R1.7964 CCC(C)CC(CC)NCCc1ccncc1 270004a_100000742849_100000184709 [0,1,1,0,0,0|1,0,0]=3 7529 B17R1.7964 CCC(C)CC(CC)NCCc1cnccn1 270004a_100000723456_100000184709 [0,1,1,0,0,0|2,0,0]=4 7530 B17R1.7964 CCC(C)CC(CC)OCCc1ccccc1 7a_200011216566_100000765856 [0,1,1,0,0,0|1,0,0]=3 7531 B17R1.7964 CCC(C)CC(CC)OCCc1ccccn1 7a_200011216566_100015183660 [0,1,1,0,0,0|2,0,0]=4 7532 B17R1.7964 CCC(C)CC(CC)OCCc1cccnc1 7a_200011216566_200011713674 [0,1,1,0,0,0|2,0,0]=4 7533 B17R1.7964 CCC(C)CC(CC)OCCc1ccncc1 7a_200011216566_100000723409 [0,1,1,0,0,0|2,0,0]=4 7534 B17R1.7964 CCC(O)CN(CC)CCCc1ccccc1 2230a_100011365200_100000211621 [0,1,1,0,0,0|2,0,0]=4 7535 B17R1.7964 CCC(O)CN(CC)CCCc1ccccc1 269982a_100011365200_100000211621 [0,1,1,0,0,0|2,0,0]=4 7536 B17R1.9347 CCCCC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000748834 [0,1,1,0,0,0|1,0,1]=4 7537 B17R1.9347 CCCCC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000748834 [0,1,1,0,0,0|1,0,1]=4 7538 B17R1.9347 CCCCC(NCCc1ccccc1)C(C)C 270004a_100000106460_200011215219 [0,1,1,0,0,0|0,0,0]=2 7539 B17R1.9347 CCCCC(NCCc1ccccn1)C(C)C 270004a_100000211156_200011215219 [0,1,1,0,0,0|1,0,0]=3 7540 B17R1.9347 CCCCC(NCCc1cccnc1)C(C)C 270004a_100000736294_200011215219 [0,1,1,0,0,0|1,0,0]=3 7541 B17R1.9347 CCCCC(NCCc1ccncc1)C(C)C 270004a_100000742849_200011215219 [0,1,1,0,0,0|1,0,0]=3 7542 B17R1.9347 CCCCC(NCCc1cnccn1)C(C)C 270004a_100000723456_200011215219 [0,1,1,0,0,0|2,0,0]=4 7543 B17R1.9347 CCCCN(CCCc1ccccc1)C(C)C 2230a_100000207398_100000211621 [0,1,1,0,0,0|2,0,0]=4 7544 B17R1.9347 CCCCN(CCCc1ccccc1)C(C)C 2230a_200000200706_100000210206 [0,1,1,0,0,0|2,0,0]=4 7545 B17R1.9347 CCCCN(CCCc1ccccc1)C(C)C 269982a_100000207398_100000211621 [0,1,1,0,0,0|2,0,0]=4 7546 B17R1.9347 CCCCN(CCCc1ccccc1)C(C)C 269982a_200000200706_100000210206 [0,1,1,0,0,0|2,0,0]=4 7547 B17R1.9347 CCCCN(CCCc1ccccc1)C(C)C 34a_200000200706_100000210206 [0,1,1,0,0,0|2,0,0]=4 7548 B17R1.9347 CCCC[C@H](NCCc1ccccc1)C(=O)N 2230a_100000124899_100000765856 [0,1,1,0,0,0|1,0,1]=4 7549 B17R1.9347 CCCC[C@H](NCCc1ccccc1)C(=O)N 34a_100000124899_100000765856 [0,1,1,0,0,0|1,0,1]=4 7550 B17R1.9565 CCCCC(C)(CC)OCCc1ccccc1 7a_200011218725_100000765856 [0,1,1,0,0,0|1,0,0]=3 7551 B17R1.9565 CCCCC(C)(CC)OCCc1ccccn1 7a_200011218725_100015183660 [0,1,1,0,0,0|2,0,0]=4 7552 B17R1.9565 CCCCC(C)(CC)OCCc1cccnc1 7a_200011218725_200011713674 [0,1,1,0,0,0|2,0,0]=4 7553 B17R1.9565 CCCCC(C)(CC)OCCc1ccncc1 7a_200011218725_100000723409 [0,1,1,0,0,0|2,0,0]=4 7554 B17R1.16865 C=CCC(CCCC)OCCc1ccccc1 34a_200011216941_100000765856 [0,1,1,0,0,0|1,0,1]=4 7555 B17R1.16865 C=CCC(CCCC)OCCc1ccccc1 7a_200011216941_100000765856 [0,1,1,0,0,0|1,0,1]=4 7556 B17R1.16865 CCCCC(CCC)NCCc1ccccc1 34a_100000106460_100000211913 [0,1,1,0,0,0|0,0,0]=2 7557 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 34a_100000210268_100000211913 [0,1,1,0,0,0|1,0,0]=3 7558 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 34a_100011215800_100000765856 [0,1,1,0,0,0|1,0,0]=3 7559 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 7a_100000210268_100000211913 [0,1,1,0,0,0|1,0,0]=3 7560 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 7a_100011215800_100000765856 [0,1,1,0,0,0|1,0,0]=3 7561 B17R1.16865 CCCCC(CCC)OCCc1ccccn1 34a_100000210271_100000211913 [0,1,1,0,0,0|2,0,0]=4 7562 B17R1.16865 CCCCC(CCC)OCCc1ccccn1 7a_100011215800_100015183660 [0,1,1,0,0,0|2,0,0]=4 7563 B17R1.16865 CCCCC(CCC)OCCc1cccnc1 34a_100011217484_100000211913 [0,1,1,0,0,0|2,0,0]=4 7564 B17R1.16865 CCCCC(CCC)OCCc1cccnc1 7a_100011215800_200011713674 [0,1,1,0,0,0|2,0,0]=4 7565 B17R1.16865 CCCCC(CCC)OCCc1ccncc1 34a_100011216225_100000211913 [0,1,1,0,0,0|2,0,0]=4 7566 B17R1.16865 CCCCC(CCC)OCCc1ccncc1 7a_100011215800_100000723409 [0,1,1,0,0,0|2,0,0]=4 7567 B17R1.16865 CCCCC(CCC)SCCc1ccccc1 62a_100000211913_100011218657 [0,1,1,0,0,0|1,0,0]=3 7568 B17R1.16865 CCCCC(CCC)SCCc1ccccc1 62a_100000765856_100000211913 [0,1,1,0,0,0|1,0,0]=3 7569 B17R1.16865 CCCCC(CCC)SCCc1ccccn1 62a_100000211913_100015183660 [0,1,1,0,0,0|2,0,0]=4 7570 B17R1.16865 CCCCC(CCC)SCCc1ccccn1 62a_100015183660_100000211913 [0,1,1,0,0,0|2,0,0]=4 7571 B17R1.16865 CCCCC(CCC)SCCc1cccnc1 62a_100000211913_200011713674 [0,1,1,0,0,0|2,0,0]=4 7572 B17R1.16865 CCCCC(CCC)SCCc1cccnc1 62a_200011713674_100000211913 [0,1,1,0,0,0|2,0,0]=4 7573 B17R1.16865 CCCCC(CCC)SCCc1ccncc1 62a_100000211913_100000723409 [0,1,1,0,0,0|2,0,0]=4 7574 B17R1.16865 CCCCC(CCC)SCCc1ccncc1 62a_100000723409_100000211913 [0,1,1,0,0,0|2,0,0]=4 7575 B17R1.16865 CCCCC(CCC)SCSc1ccccc1 62a_100000211913_100011218342 [0,1,1,0,0,0|2,0,0]=4 7576 B17R1.16865 CCCCC(CCC)SCSc1ccccc1 62a_100011218342_100000211913 [0,1,1,0,0,0|2,0,0]=4 7577 B17R1.16865 CCCCN(CCC)CCCc1ccccc1 2230a_200000200706_100000210303 [0,1,1,0,0,0|2,0,0]=4 7578 B17R1.16865 CCCCN(CCC)CCCc1ccccc1 2230a_200000207744_100000211621 [0,1,1,0,0,0|2,0,0]=4 7579 B17R1.16865 CCCCN(CCC)CCCc1ccccc1 269982a_200000200706_100000210303 [0,1,1,0,0,0|2,0,0]=4 7580 B17R1.16865 CCCCN(CCC)CCCc1ccccc1 269982a_200000207744_100000211621 [0,1,1,0,0,0|2,0,0]=4 7581 B17R1.16865 CCCCN(CCC)CCCc1ccccc1 34a_200000200706_100000210303 [0,1,1,0,0,0|2,0,0]=4 7582 B17R1.16865 CCCCN(CCCc1ccccc1)COC 2230a_200000200706_100000766300 [0,1,1,0,0,0|2,0,0]=4 7583 B17R1.16865 CCCCN(CCCc1ccccc1)COC 269982a_200000200706_100000766300 [0,1,1,0,0,0|2,0,0]=4 7584 B17R1.16865 CCCCN(CCCc1ccccc1)CSC 2230a_200000200706_100011218213 [0,1,1,0,0,0|2,0,0]=4 7585 B17R1.16865 CCCCN(CCCc1ccccc1)CSC 269982a_200000200706_100011218213 [0,1,1,0,0,0|2,0,0]=4 7586 B17R1.16865 CCCCN(CCCc1ccccc1)CSC 34a_200000200706_100011218213 [0,1,1,0,0,0|2,0,0]=4 7587 B17R1.16865 CCCCN(CCF)CCCc1ccccc1 2230a_200000200706_100011217306 [0,1,1,0,0,0|2,0,0]=4 7588 B17R1.16865 CCCCN(CCF)CCCc1ccccc1 269982a_200000200706_100011217306 [0,1,1,0,0,0|2,0,0]=4 7589 B17R1.16865 CCCCN(CCF)CCCc1ccccc1 34a_200000200706_100011217306 [0,1,1,0,0,0|2,0,0]=4 7590 B17R1.16865 CCCCN(CCO)CCCc1ccccc1 2230a_100000198060_100000211621 [0,1,1,0,0,0|2,0,0]=4 7591 B17R1.16865 CCCCN(CCO)CCCc1ccccc1 2230a_200000200706_100000211926 [0,1,1,0,0,0|2,0,0]=4 7592 B17R1.16865 CCCCN(CCO)CCCc1ccccc1 269982a_100000198060_100000211621 [0,1,1,0,0,0|2,0,0]=4 7593 B17R1.16865 CCCCN(CCO)CCCc1ccccc1 269982a_200000200706_100000211926 [0,1,1,0,0,0|2,0,0]=4 7594 B17R1.16865 CCCCN(CCO)CCCc1ccccc1 34a_200000200706_100000211926 [0,1,1,0,0,0|2,0,0]=4 7595 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 207a_100000209976_100000211189 [0,1,1,0,0,0|2,0,0]=4 7596 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 2230a_100000209976_100000184730 [0,1,1,0,0,0|2,0,0]=4 7597 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 2230a_100000689332_100000211942 [0,1,1,0,0,0|2,0,0]=4 7598 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 269862a_100000689332_100011219736 [0,1,1,0,0,0|2,0,0]=4 7599 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 26a_100000209976_100000181306 [0,1,1,0,0,0|2,0,0]=4 7600 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 270004a_100000209976_100000211189 [0,1,1,0,0,0|2,0,0]=4 7601 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 270004a_100000689332_100011219736 [0,1,1,0,0,0|2,0,0]=4 7602 B17R1.17709 CCCCC(CC)CNCc1ccccc1Br 34a_100000689332_100000211942 [0,1,1,0,0,0|2,0,0]=4 7603 B17R1.17709 CCCCC(CC)CNCc1ccccc1C 207a_100000209976_100000211143 [0,1,1,0,0,0|2,0,0]=4 7604 B17R1.17709 CCCCC(CC)CNCc1ccccc1C 2230a_100000209976_100000211839 [0,1,1,0,0,0|2,0,0]=4 7605 B17R1.17709 CCCCC(CC)CNCc1ccccc1C 269862a_100000174972_100011219736 [0,1,1,0,0,0|2,0,0]=4 7606 B17R1.17709 CCCCC(CC)CNCc1ccccc1C 270004a_100000174972_100011219736 [0,1,1,0,0,0|2,0,0]=4 7607 B17R1.17709 CCCCC(CC)CNCc1ccccc1C 270004a_100000209976_100000211143 [0,1,1,0,0,0|2,0,0]=4 7608 B17R1.17709 CCCCC(CC)CNCc1ccccc1C 34a_100000174972_100000211942 [0,1,1,0,0,0|2,0,0]=4 7609 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 207a_100000209976_100000210073 [0,1,1,0,0,0|2,0,0]=4 7610 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 2230a_100000174879_100000211942 [0,1,1,0,0,0|2,0,0]=4 7611 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 2230a_100000209976_100000187162 [0,1,1,0,0,0|2,0,0]=4 7612 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 269862a_100000174879_100011219736 [0,1,1,0,0,0|2,0,0]=4 7613 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 26a_100000209976_100000210172 [0,1,1,0,0,0|2,0,0]=4 7614 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 270004a_100000174879_100011219736 [0,1,1,0,0,0|2,0,0]=4 7615 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 270004a_100000209976_100000210073 [0,1,1,0,0,0|2,0,0]=4 7616 B17R1.17709 CCCCC(CC)CNCc1ccccc1Cl 34a_100000174879_100000211942 [0,1,1,0,0,0|2,0,0]=4 7617 B17R1.17709 CCCCC(CC)CNCc1ccccc1F 207a_100000209976_100000210811 [0,1,1,0,0,0|2,0,0]=4 7618 B17R1.17709 CCCCC(CC)CNCc1ccccc1F 2230a_100000209976_100000211605 [0,1,1,0,0,0|2,0,0]=4 7619 B17R1.17709 CCCCC(CC)CNCc1ccccc1F 269862a_100000174869_100011219736 [0,1,1,0,0,0|2,0,0]=4 7620 B17R1.17709 CCCCC(CC)CNCc1ccccc1F 270004a_100000174869_100011219736 [0,1,1,0,0,0|2,0,0]=4 7621 B17R1.17709 CCCCC(CC)CNCc1ccccc1F 270004a_100000209976_100000210811 [0,1,1,0,0,0|2,0,0]=4 7622 B17R1.17709 CCCCC(CC)CNCc1ccccc1F 34a_100000174869_100000211942 [0,1,1,0,0,0|2,0,0]=4 7623 B17R1.17709 CCCCC(CC)CNCc1ccccc1I 207a_100000209976_100000010305 [0,1,1,0,0,0|2,0,0]=4 7624 B17R1.17709 CCCCC(CC)CNCc1ccccc1I 2230a_100000209976_100011215278 [0,1,1,0,0,0|2,0,0]=4 7625 B17R1.17709 CCCCC(CC)CNCc1ccccc1I 269862a_100015347259_100011219736 [0,1,1,0,0,0|2,0,0]=4 7626 B17R1.17709 CCCCC(CC)CNCc1ccccc1I 270004a_100000209976_100000010305 [0,1,1,0,0,0|2,0,0]=4 7627 B17R1.17709 CCCCC(CC)CNCc1ccccc1I 270004a_100015347259_100011219736 [0,1,1,0,0,0|2,0,0]=4 7628 B17R1.17709 CCCCC(CC)CNCc1ccccc1O 269862a_100000185550_100011219736 [0,1,1,0,0,0|2,0,0]=4 7629 B17R1.17709 CCCCC(CC)CNCc1ccccc1O 270004a_100000185550_100011219736 [0,1,1,0,0,0|2,0,0]=4 7630 B17R1.17709 CCCCC(CC)CNCc1ccccc1O 34a_100000185550_100000211942 [0,1,1,0,0,0|2,0,0]=4 7631 B17R1.17709 CCCCC(CC)COCc1ccccc1Br 34a_100000210273_100000184730 [0,1,1,0,0,0|2,0,0]=4 7632 B17R1.17709 CCCCC(CC)COCc1ccccc1Br 34a_100000756307_100000211942 [0,1,1,0,0,0|2,0,0]=4 7633 B17R1.17709 CCCCC(CC)COCc1ccccc1Br 7a_100000210273_100000184730 [0,1,1,0,0,0|2,0,0]=4 7634 B17R1.17709 CCCCC(CC)COCc1ccccc1Br 7a_100000756307_100000211942 [0,1,1,0,0,0|2,0,0]=4 7635 B17R1.17709 CCCCC(CC)COCc1ccccc1C 34a_100000210273_100000211839 [0,1,1,0,0,0|2,0,0]=4 7636 B17R1.17709 CCCCC(CC)COCc1ccccc1C 34a_100000698903_100000211942 [0,1,1,0,0,0|2,0,0]=4 7637 B17R1.17709 CCCCC(CC)COCc1ccccc1C 7a_100000210273_100000211839 [0,1,1,0,0,0|2,0,0]=4 7638 B17R1.17709 CCCCC(CC)COCc1ccccc1C 7a_100000698903_100000211942 [0,1,1,0,0,0|2,0,0]=4 7639 B17R1.17709 CCCCC(CC)COCc1ccccc1Cl 34a_100000210273_100000187162 [0,1,1,0,0,0|2,0,0]=4 7640 B17R1.17709 CCCCC(CC)COCc1ccccc1Cl 34a_100000210847_100000211942 [0,1,1,0,0,0|2,0,0]=4 7641 B17R1.17709 CCCCC(CC)COCc1ccccc1Cl 7a_100000210273_100000187162 [0,1,1,0,0,0|2,0,0]=4 7642 B17R1.17709 CCCCC(CC)COCc1ccccc1Cl 7a_100000210847_100000211942 [0,1,1,0,0,0|2,0,0]=4 7643 B17R1.17709 CCCCC(CC)COCc1ccccc1F 34a_100000210273_100000211605 [0,1,1,0,0,0|2,0,0]=4 7644 B17R1.17709 CCCCC(CC)COCc1ccccc1F 34a_100000211962_100000211942 [0,1,1,0,0,0|2,0,0]=4 7645 B17R1.17709 CCCCC(CC)COCc1ccccc1F 7a_100000210273_100000211605 [0,1,1,0,0,0|2,0,0]=4 7646 B17R1.17709 CCCCC(CC)COCc1ccccc1F 7a_100000211962_100000211942 [0,1,1,0,0,0|2,0,0]=4 7647 B17R1.17709 CCCCC(CC)COCc1ccccc1I 34a_100000187465_100000211942 [0,1,1,0,0,0|2,0,0]=4 7648 B17R1.17709 CCCCC(CC)COCc1ccccc1I 34a_100000210273_100011215278 [0,1,1,0,0,0|2,0,0]=4 7649 B17R1.17709 CCCCC(CC)COCc1ccccc1I 7a_100000187465_100000211942 [0,1,1,0,0,0|2,0,0]=4 7650 B17R1.17709 CCCCC(CC)COCc1ccccc1I 7a_100000210273_100011215278 [0,1,1,0,0,0|2,0,0]=4 7651 B17R1.17709 CCCCC(CC)COCc1ccccc1N 34a_100000212039_100000211942 [0,1,1,0,0,0|2,0,0]=4 7652 B17R1.17709 CCCCC(CC)CSCc1ccccc1Br 62a_100000184730_100000211942 [0,1,1,0,0,0|2,0,0]=4 7653 B17R1.17709 CCCCC(CC)CSCc1ccccc1Br 62a_100000211942_100000184730 [0,1,1,0,0,0|2,0,0]=4 7654 B17R1.17709 CCCCC(CC)CSCc1ccccc1C 62a_100000211839_100000211942 [0,1,1,0,0,0|2,0,0]=4 7655 B17R1.17709 CCCCC(CC)CSCc1ccccc1C 62a_100000211942_100000211839 [0,1,1,0,0,0|2,0,0]=4 7656 B17R1.17709 CCCCC(CC)CSCc1ccccc1Cl 62a_100000187162_100000211942 [0,1,1,0,0,0|2,0,0]=4 7657 B17R1.17709 CCCCC(CC)CSCc1ccccc1Cl 62a_100000211942_100000187162 [0,1,1,0,0,0|2,0,0]=4 7658 B17R1.17709 CCCCC(CC)CSCc1ccccc1F 62a_100000211605_100000211942 [0,1,1,0,0,0|2,0,0]=4 7659 B17R1.17709 CCCCC(CC)CSCc1ccccc1F 62a_100000211942_100000211605 [0,1,1,0,0,0|2,0,0]=4 7660 B17R1.17709 CCCCC(CC)CSCc1ccccc1I 62a_100000211942_100011216222 [0,1,1,0,0,0|2,0,0]=4 7661 B17R1.17709 CCCCC(CC)CSCc1ccccc1I 62a_100011216222_100000211942 [0,1,1,0,0,0|2,0,0]=4 7662 B17R1.17709 CCCCC(CC)NCCc1ccccc1Br 270004a_100000747383_100000753412 [0,1,1,0,0,0|0,0,0]=2 7663 B17R1.17709 CCCCC(CC)NCCc1ccccc1Br 34a_100000747383_200011216223 [0,1,1,0,0,0|0,0,0]=2 7664 B17R1.17709 CCCCC(CC)NCCc1ccccc1C 270004a_100000685071_100000753412 [0,1,1,0,0,0|0,0,0]=2 7665 B17R1.17709 CCCCC(CC)NCCc1ccccc1C 34a_100000685071_200011216223 [0,1,1,0,0,0|0,0,0]=2 7666 B17R1.17709 CCCCC(CC)NCCc1ccccc1Cl 270004a_100011207228_100000753412 [0,1,1,0,0,0|0,0,0]=2 7667 B17R1.17709 CCCCC(CC)NCCc1ccccc1Cl 34a_100011207228_200011216223 [0,1,1,0,0,0|0,0,0]=2 7668 B17R1.17709 CCCCC(CC)NCCc1ccccc1F 270004a_100000185272_100000753412 [0,1,1,0,0,0|0,0,0]=2 7669 B17R1.17709 CCCCC(CC)NCCc1ccccc1F 34a_100000185272_200011216223 [0,1,1,0,0,0|0,0,0]=2 7670 B17R1.17709 CCCCC(CC)NCCc1ccccc1O 270004a_100011207237_100000753412 [0,1,1,0,0,0|0,0,0]=2 7671 B17R1.17709 CCCCC(CC)NCCc1ccccc1O 34a_100011207237_200011216223 [0,1,1,0,0,0|0,0,0]=2 7672 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 34a_100000731337_200011216223 [0,1,1,0,0,0|1,0,0]=3 7673 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 34a_100011215227_100012161201 [0,1,1,0,0,0|1,0,0]=3 7674 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 7a_100000731337_200011216223 [0,1,1,0,0,0|1,0,0]=3 7675 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 7a_100011215227_100012161201 [0,1,1,0,0,0|1,0,0]=3 7676 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 34a_100011215227_100011713688 [0,1,1,0,0,0|1,0,0]=3 7677 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 34a_100011220023_200011216223 [0,1,1,0,0,0|1,0,0]=3 7678 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 7a_100011215227_100011713688 [0,1,1,0,0,0|1,0,0]=3 7679 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 7a_100011220023_200011216223 [0,1,1,0,0,0|1,0,0]=3 7680 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 34a_100011215227_100011713703 [0,1,1,0,0,0|1,0,0]=3 7681 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 34a_100011215284_200011216223 [0,1,1,0,0,0|1,0,0]=3 7682 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 7a_100011215227_100011713703 [0,1,1,0,0,0|1,0,0]=3 7683 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 7a_100011215284_200011216223 [0,1,1,0,0,0|1,0,0]=3 7684 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 34a_100000753711_200011216223 [0,1,1,0,0,0|1,0,0]=3 7685 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 34a_100011215227_100000720011 [0,1,1,0,0,0|1,0,0]=3 7686 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 7a_100000753711_200011216223 [0,1,1,0,0,0|1,0,0]=3 7687 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 7a_100011215227_100000720011 [0,1,1,0,0,0|1,0,0]=3 7688 B17R1.17709 CCCCC(CC)OCCc1ccccc1I 34a_100010255290_200011216223 [0,1,1,0,0,0|1,0,0]=3 7689 B17R1.17709 CCCCC(CC)OCCc1ccccc1I 7a_100010255290_200011216223 [0,1,1,0,0,0|1,0,0]=3 7690 B17R1.17709 CCCCC(CC)OCCc1ccccc1N 34a_100011215289_200011216223 [0,1,1,0,0,0|1,0,0]=3 7691 B17R1.17709 CCCCC(CC)OCCc1ccccc1O 34a_100011215227_100000722297 [0,1,1,0,0,0|1,0,0]=3 7692 B17R1.17709 CCCCC(CC)OCCc1ccccc1O 7a_100011215227_100000722297 [0,1,1,0,0,0|1,0,0]=3 7693 B17R1.17709 CCCCC(CC)OCCc1ncccc1C 34a_100011997706_200011216223 [0,1,1,0,0,0|2,0,0]=4 7694 B17R1.17709 CCCCC(CC)OCCc1ncccc1C 7a_100011997706_200011216223 [0,1,1,0,0,0|2,0,0]=4 7695 B17R1.17709 CCCCC(CC)SCCc1ccccc1Br 62a_100012161201_200011216223 [0,1,1,0,0,0|1,0,0]=3 7696 B17R1.17709 CCCCC(CC)SCCc1ccccc1Br 62a_200011216223_100012161201 [0,1,1,0,0,0|1,0,0]=3 7697 B17R1.17709 CCCCC(CC)SCCc1ccccc1C 62a_100011713688_200011216223 [0,1,1,0,0,0|1,0,0]=3 7698 B17R1.17709 CCCCC(CC)SCCc1ccccc1C 62a_200011216223_100011713688 [0,1,1,0,0,0|1,0,0]=3 7699 B17R1.17709 CCCCC(CC)SCCc1ccccc1Cl 62a_100011713703_200011216223 [0,1,1,0,0,0|1,0,0]=3 7700 B17R1.17709 CCCCC(CC)SCCc1ccccc1Cl 62a_200011216223_100011713703 [0,1,1,0,0,0|1,0,0]=3 7701 B17R1.17709 CCCCC(CC)SCCc1ccccc1F 62a_100011713696_200011216223 [0,1,1,0,0,0|1,0,0]=3 7702 B17R1.17709 CCCCC(CC)SCCc1ccccc1F 62a_200011216223_100011713696 [0,1,1,0,0,0|1,0,0]=3 7703 B17R1.17709 CCCCC(CC)SCCc1ccccc1O 62a_100000722297_200011216223 [0,1,1,0,0,0|1,0,0]=3 7704 B17R1.17709 CCCCC(CC)SCCc1ccccc1O 62a_200011216223_100000722297 [0,1,1,0,0,0|1,0,0]=3 7705 B17R1.17709 CCCCN(CC)CCCc1ccccc1Br 2230a_100000207695_200011713681 [0,1,1,0,0,0|2,0,0]=4 7706 B17R1.17709 CCCCN(CC)CCCc1ccccc1Br 269982a_100000207695_200011713681 [0,1,1,0,0,0|2,0,0]=4 7707 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Br 2230a_100011934283_100012161201 [0,1,1,0,0,0|1,0,0]=3 7708 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Br 34a_100011934283_100012161201 [0,1,1,0,0,0|1,0,0]=3 7709 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1C 2230a_100011934283_100011713688 [0,1,1,0,0,0|1,0,0]=3 7710 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1C 34a_100011934283_100011713688 [0,1,1,0,0,0|1,0,0]=3 7711 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Cl 2230a_100011934283_100011713703 [0,1,1,0,0,0|1,0,0]=3 7712 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Cl 270004a_100011934283_200011713468 [0,1,1,0,0,0|1,0,0]=3 7713 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Cl 34a_100011934283_100011713703 [0,1,1,0,0,0|1,0,0]=3 7714 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1F 2230a_100011934283_100011713696 [0,1,1,0,0,0|1,0,0]=3 7715 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1F 34a_100011934283_100000720011 [0,1,1,0,0,0|1,0,0]=3 7716 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1O 34a_100011934283_100000722297 [0,1,1,0,0,0|1,0,0]=3 7717 B17R1.17709 CSCC[C@@H](CO)NCCc1ccccc1Br 2230a_100011827619_100012161201 [0,1,1,0,0,0|2,0,0]=4 7718 B17R1.17709 CSCC[C@@H](CO)NCCc1ccccc1C 2230a_100011827619_100011713688 [0,1,1,0,0,0|2,0,0]=4 7719 B17R1.17709 CSCC[C@@H](CO)NCCc1ccccc1Cl 2230a_100011827619_100011713703 [0,1,1,0,0,0|2,0,0]=4 7720 B17R1.17709 CSCC[C@@H](CO)NCCc1ccccc1Cl 270004a_100011827619_200011713468 [0,1,1,0,0,0|2,0,0]=4 7721 B17R1.17709 CSCC[C@@H](CO)NCCc1ccccc1F 2230a_100011827619_100011713696 [0,1,1,0,0,0|2,0,0]=4 7722 B17R1.18489 CCCC(C)C(CC)OCCc1ccccc1 34a_200011218412_100000765856 [0,1,1,0,0,0|1,0,0]=3 7723 B17R1.18489 CCCC(C)C(CC)OCCc1ccccc1 7a_200011218412_100000765856 [0,1,1,0,0,0|1,0,0]=3 7724 B17R1.18489 CCCC(C)C(CC)OCCc1ccccn1 7a_200011218412_100015183660 [0,1,1,0,0,0|2,0,0]=4 7725 B17R1.18489 CCCC(C)C(CC)OCCc1cccnc1 7a_200011218412_200011713674 [0,1,1,0,0,0|2,0,0]=4 7726 B17R1.18489 CCCC(C)C(CC)OCCc1ccncc1 7a_200011218412_100000723409 [0,1,1,0,0,0|2,0,0]=4 7727 B17R1.18489 CCOC(=O)C(CC)NCCc1ccccc1 2230a_100000106460_100000212269 [0,1,1,0,0,0|1,0,1]=4 7728 B17R1.18489 CCOC(=O)C(CC)NCCc1ccccc1 34a_100000106460_100000212269 [0,1,1,0,0,0|1,0,1]=4 7729 B17R1.755 CCCC(CCC)COCc1ccc(cc1)Br 34a_200011215456_100000189115 [0,1,1,0,0,0|2,0,0]=4 7730 B17R1.755 CCCC(CCC)COCc1ccc(cc1)Br 7a_200011215456_100011217064 [0,1,1,0,0,0|2,0,0]=4 7731 B17R1.755 CCCC(CCC)COCc1ccc(cc1)C 34a_200011215456_100000210814 [0,1,1,0,0,0|2,0,0]=4 7732 B17R1.755 CCCC(CCC)COCc1ccc(cc1)C 7a_200011215456_100000210814 [0,1,1,0,0,0|2,0,0]=4 7733 B17R1.755 CCCC(CCC)COCc1ccc(cc1)Cl 34a_200011215456_100000694040 [0,1,1,0,0,0|2,0,0]=4 7734 B17R1.755 CCCC(CCC)COCc1ccc(cc1)Cl 7a_200011215456_100000187161 [0,1,1,0,0,0|2,0,0]=4 7735 B17R1.755 CCCC(CCC)COCc1ccc(cc1)F 34a_200011215456_100000198546 [0,1,1,0,0,0|2,0,0]=4 7736 B17R1.755 CCCC(CCC)COCc1ccc(cc1)F 7a_200011215456_100000198546 [0,1,1,0,0,0|2,0,0]=4 7737 B17R1.755 CCCC(CCC)COCc1ccc(cc1)I 34a_200011215456_100000189116 [0,1,1,0,0,0|2,0,0]=4 7738 B17R1.755 CCCC(CCC)COCc1ccc(cc1)I 7a_200011215456_100000189116 [0,1,1,0,0,0|2,0,0]=4 7739 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Br 2230a_100011207992_100011740612 [0,1,1,0,0,0|0,0,0]=2 7740 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Br 270004a_100000755846_100000210088 [0,1,1,0,0,0|0,0,0]=2 7741 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Br 34a_100000755846_200011218217 [0,1,1,0,0,0|0,0,0]=2 7742 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Br 34a_100011207992_100011740612 [0,1,1,0,0,0|0,0,0]=2 7743 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)C 2230a_100011207992_100011713686 [0,1,1,0,0,0|0,0,0]=2 7744 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)C 270004a_100000705350_100000210088 [0,1,1,0,0,0|0,0,0]=2 7745 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)C 34a_100000705350_200011218217 [0,1,1,0,0,0|0,0,0]=2 7746 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)C 34a_100011207992_100011713686 [0,1,1,0,0,0|0,0,0]=2 7747 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Cl 2230a_100011207992_100011713675 [0,1,1,0,0,0|0,0,0]=2 7748 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Cl 270004a_100000185265_100000210088 [0,1,1,0,0,0|0,0,0]=2 7749 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Cl 34a_100000185265_200011218217 [0,1,1,0,0,0|0,0,0]=2 7750 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)Cl 34a_100011207992_100011713675 [0,1,1,0,0,0|0,0,0]=2 7751 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)F 2230a_100011207992_100011217392 [0,1,1,0,0,0|0,0,0]=2 7752 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)F 270004a_100000199005_100000210088 [0,1,1,0,0,0|0,0,0]=2 7753 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)F 34a_100000199005_200011218217 [0,1,1,0,0,0|0,0,0]=2 7754 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)F 34a_100011207992_100011217392 [0,1,1,0,0,0|0,0,0]=2 7755 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)O 2230a_100011207992_100009816426 [0,1,1,0,0,0|0,0,0]=2 7756 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)O 270004a_100000743037_100000210088 [0,1,1,0,0,0|0,0,0]=2 7757 B17R1.755 CCCC(CCC)NCCc1ccc(cc1)O 34a_100000743037_200011218217 [0,1,1,0,0,0|0,0,0]=2 7758 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Br 34a_100000766406_200011218217 [0,1,1,0,0,0|1,0,0]=3 7759 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Br 34a_200011218534_100011740612 [0,1,1,0,0,0|1,0,0]=3 7760 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Br 7a_100000766406_200011218217 [0,1,1,0,0,0|1,0,0]=3 7761 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Br 7a_200011218534_100011740612 [0,1,1,0,0,0|1,0,0]=3 7762 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)C 34a_100000756670_200011218217 [0,1,1,0,0,0|1,0,0]=3 7763 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)C 34a_200011218534_100011713686 [0,1,1,0,0,0|1,0,0]=3 7764 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)C 7a_100000756670_200011218217 [0,1,1,0,0,0|1,0,0]=3 7765 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)C 7a_200011218534_100011713686 [0,1,1,0,0,0|1,0,0]=3 7766 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Cl 34a_100011219627_200011218217 [0,1,1,0,0,0|1,0,0]=3 7767 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Cl 34a_200011218534_100011713675 [0,1,1,0,0,0|1,0,0]=3 7768 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Cl 7a_100011219627_200011218217 [0,1,1,0,0,0|1,0,0]=3 7769 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)Cl 7a_200011218534_100011713675 [0,1,1,0,0,0|1,0,0]=3 7770 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)F 34a_100000754732_200011218217 [0,1,1,0,0,0|1,0,0]=3 7771 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)F 34a_200011218534_100011217392 [0,1,1,0,0,0|1,0,0]=3 7772 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)F 7a_100000754732_200011218217 [0,1,1,0,0,0|1,0,0]=3 7773 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)F 7a_200011218534_100011217392 [0,1,1,0,0,0|1,0,0]=3 7774 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)I 34a_100012291149_200011218217 [0,1,1,0,0,0|1,0,0]=3 7775 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)I 7a_100012291149_200011218217 [0,1,1,0,0,0|1,0,0]=3 7776 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)N 34a_100011204434_200011218217 [0,1,1,0,0,0|1,0,0]=3 7777 B17R1.755 CCCC(CCC)OCCc1ccc(cc1)O 7a_200011218534_100009816426 [0,1,1,0,0,0|1,0,0]=3 7778 B17R1.755 CCCC(CCC)OCCc1ccc(cn1)Br 34a_100012357577_200011218217 [0,1,1,0,0,0|2,0,0]=4 7779 B17R1.755 CCCC(CCC)OCCc1ccc(nc1)C 34a_100011815783_200011218217 [0,1,1,0,0,0|2,0,0]=4 7780 B17R1.755 CCCC(CCC)OCCc1ccc(nc1)Cl 34a_100009880866_200011218217 [0,1,1,0,0,0|2,0,0]=4 7781 B17R1.755 CCCC(CCC)OCCc1ccc(nc1)Cl 7a_100009880866_200011218217 [0,1,1,0,0,0|2,0,0]=4 7782 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)Br 62a_100011740612_200011218217 [0,1,1,0,0,0|1,0,0]=3 7783 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)Br 62a_200011218217_100011740612 [0,1,1,0,0,0|1,0,0]=3 7784 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)C 62a_100011713686_200011218217 [0,1,1,0,0,0|1,0,0]=3 7785 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)C 62a_200011218217_100011713686 [0,1,1,0,0,0|1,0,0]=3 7786 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)Cl 62a_100011713675_200011218217 [0,1,1,0,0,0|1,0,0]=3 7787 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)Cl 62a_200011218217_100011713675 [0,1,1,0,0,0|1,0,0]=3 7788 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)F 62a_100011217392_200011218217 [0,1,1,0,0,0|1,0,0]=3 7789 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)F 62a_200011218217_100011217392 [0,1,1,0,0,0|1,0,0]=3 7790 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)O 62a_100009816426_200011218217 [0,1,1,0,0,0|1,0,0]=3 7791 B17R1.755 CCCC(CCC)SCCc1ccc(cc1)O 62a_200011218217_100009816426 [0,1,1,0,0,0|1,0,0]=3 7792 B17R1.755 CCCN(CCC)CCCc1ccc(cc1)Br 2230a_100000210455_100011713682 [0,1,1,0,0,0|2,0,0]=4 7793 B17R1.755 CCCN(CCC)CCCc1ccc(cc1)Br 269982a_100000210455_100011713682 [0,1,1,0,0,0|2,0,0]=4 7794 B17R1.755 CCCN(CCC)CCCc1ccc(cc1)Cl 2230a_100000210455_100000759440 [0,1,1,0,0,0|2,0,0]=4 7795 B17R1.755 CCCN(CCC)CCCc1ccc(cc1)Cl 269982a_100000210455_100000759440 [0,1,1,0,0,0|2,0,0]=4 7796 B17R1.755 CCCN(CCC)CCCc1ccc(cc1)F 2230a_100000210455_200011713563 [0,1,1,0,0,0|2,0,0]=4 7797 B17R1.755 CCCN(CCC)CCCc1ccc(cc1)F 269982a_100000210455_200011713563 [0,1,1,0,0,0|2,0,0]=4 7798 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)Br 2230a_100015193777_100011740612 [0,1,1,0,0,0|1,0,0]=3 7799 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)Br 34a_100015193777_100011740612 [0,1,1,0,0,0|1,0,0]=3 7800 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)C 2230a_100015193777_100011713686 [0,1,1,0,0,0|1,0,0]=3 7801 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)C 34a_100015193777_100011713686 [0,1,1,0,0,0|1,0,0]=3 7802 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)Cl 2230a_100015193777_100011713675 [0,1,1,0,0,0|1,0,0]=3 7803 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)Cl 34a_100015193777_100011713675 [0,1,1,0,0,0|1,0,0]=3 7804 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)F 2230a_100015193777_100011217392 [0,1,1,0,0,0|1,0,0]=3 7805 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)F 34a_100015193777_100011217392 [0,1,1,0,0,0|1,0,0]=3 7806 B17R1.755 CCC[C@@H](CCO)NCCc1ccc(cc1)O 2230a_100015193777_100009816426 [0,1,1,0,0,0|1,0,0]=3 7807 B17R1.755 COCC(COC)NCCc1ccc(cc1)Br 2230a_100011997029_100011740612 [0,1,1,0,0,0|2,0,0]=4 7808 B17R1.755 COCC(COC)NCCc1ccc(cc1)Br 270004a_100000755846_100000761750 [0,1,1,0,0,0|2,0,0]=4 7809 B17R1.755 COCC(COC)NCCc1ccc(cc1)C 2230a_100011997029_100011713686 [0,1,1,0,0,0|2,0,0]=4 7810 B17R1.755 COCC(COC)NCCc1ccc(cc1)C 270004a_100000705350_100000761750 [0,1,1,0,0,0|2,0,0]=4 7811 B17R1.755 COCC(COC)NCCc1ccc(cc1)Cl 2230a_100011997029_100011713675 [0,1,1,0,0,0|2,0,0]=4 7812 B17R1.755 COCC(COC)NCCc1ccc(cc1)Cl 270004a_100000185265_100000761750 [0,1,1,0,0,0|2,0,0]=4 7813 B17R1.755 COCC(COC)NCCc1ccc(cc1)F 2230a_100011997029_100011217392 [0,1,1,0,0,0|2,0,0]=4 7814 B17R1.755 COCC(COC)NCCc1ccc(cc1)F 270004a_100000199005_100000761750 [0,1,1,0,0,0|2,0,0]=4 7815 B17R1.755 COCC(COC)NCCc1ccc(cc1)O 2230a_100011997029_100009816426 [0,1,1,0,0,0|2,0,0]=4 7816 B17R1.755 COCC(COC)NCCc1ccc(cc1)O 270004a_100000743037_100000761750 [0,1,1,0,0,0|2,0,0]=4 7817 B17R1.5146 CCCC(CCC)COC(C)c1ccccc1 34a_200011215456_100000211855 [0,1,1,0,0,0|2,0,0]=4 7818 B17R1.5146 CCCC(CCC)COC(C)c1ccccc1 7a_200011215456_100000230085 [0,1,1,0,0,0|2,0,0]=4 7819 B17R1.5146 CCCC(CCC)NCC(=O)c1ccccn1 34a_100011207992_100000027445 [0,1,1,0,0,0|1,0,1]=4 7820 B17R1.5146 CCCC(CCC)NCC(C)c1ccccc1 2230a_100011207992_100000756946 [0,1,1,0,0,0|0,0,0]=2 7821 B17R1.5146 CCCC(CCC)NCC(C)c1ccccc1 270004a_100000701038_100000210088 [0,1,1,0,0,0|0,0,0]=2 7822 B17R1.5146 CCCC(CCC)NCC(C)c1ccccc1 270004a_100011207992_100000212034 [0,1,1,0,0,0|0,0,0]=2 7823 B17R1.5146 CCCC(CCC)NCC(C)c1ccccc1 34a_100000701038_200011218217 [0,1,1,0,0,0|0,0,0]=2 7824 B17R1.5146 CCCC(CCC)NCC(C)c1ccccc1 34a_100011207992_100000756946 [0,1,1,0,0,0|0,0,0]=2 7825 B17R1.5146 CCCC(CCC)NCC(O)c1ccccc1 2230a_100011207992_100000185958 [0,1,1,0,0,0|0,0,0]=2 7826 B17R1.5146 CCCC(CCC)NCC(O)c1ccccc1 270004a_100000210709_100000210088 [0,1,1,0,0,0|0,0,0]=2 7827 B17R1.5146 CCCC(CCC)NCC(O)c1ccccc1 34a_100011207992_100000185958 [0,1,1,0,0,0|0,0,0]=2 7828 B17R1.5146 CCCC(CCC)NCC(O)c1ccccn1 270004a_100000691469_100000210088 [0,1,1,0,0,0|1,0,0]=3 7829 B17R1.5146 CCCC(CCC)NCC(O)c1cccnc1 270004a_100020605170_100000210088 [0,1,1,0,0,0|1,0,0]=3 7830 B17R1.5146 CCCC(CCC)NC[C@@H](O)c1ccccc1 2230a_100011207992_100011933945 [0,1,1,0,0,0|0,0,0]=2 7831 B17R1.5146 CCCC(CCC)NC[C@@H](O)c1ccccc1 34a_100011207992_100011933945 [0,1,1,0,0,0|0,0,0]=2 7832 B17R1.5146 CCCC(CCC)OCC(=O)c1ccccc1 7a_200011218534_100000211460 [0,1,1,0,0,0|1,0,1]=4 7833 B17R1.5146 CCCC(CCC)OCC(C)c1ccccc1 34a_100011215166_200011218217 [0,1,1,0,0,0|1,0,0]=3 7834 B17R1.5146 CCCC(CCC)OCC(C)c1ccccc1 34a_200011218534_100000756946 [0,1,1,0,0,0|1,0,0]=3 7835 B17R1.5146 CCCC(CCC)OCC(C)c1ccccc1 7a_100011215166_200011218217 [0,1,1,0,0,0|1,0,0]=3 7836 B17R1.5146 CCCC(CCC)OCC(C)c1ccccc1 7a_200011218534_100000756946 [0,1,1,0,0,0|1,0,0]=3 7837 B17R1.5146 CCCC(CCC)OCC(O)c1ccccc1 34a_200011218534_100000185958 [0,1,1,0,0,0|1,0,0]=3 7838 B17R1.5146 CCCC(CCC)OCC(O)c1ccccc1 7a_200011218534_100000185958 [0,1,1,0,0,0|1,0,0]=3 7839 B17R1.5146 CCCC(CCC)OC[C@@H](N)c1ccccc1 34a_100000751927_200011218217 [0,1,1,0,0,0|1,0,0]=3 7840 B17R1.5146 CCCC(CCC)OC[C@@H](N)c1ccncc1 34a_100138412524_200011218217 [0,1,1,0,0,0|2,0,0]=4 7841 B17R1.5146 CCCC(CCC)OC[C@@H](O)c1ccccc1 34a_200011218534_100011933945 [0,1,1,0,0,0|1,0,0]=3 7842 B17R1.5146 CCCC(CCC)OC[C@@H](O)c1ccccc1 7a_200011218534_100011933945 [0,1,1,0,0,0|1,0,0]=3 7843 B17R1.5146 CCCC(CCC)SCC(=O)c1ccccc1 62a_100000211460_200011218217 [0,1,1,0,0,0|1,0,1]=4 7844 B17R1.5146 CCCC(CCC)SCC(=O)c1ccccc1 62a_200011218217_100000211460 [0,1,1,0,0,0|1,0,1]=4 7845 B17R1.5146 CCCC(CCC)SCC(C)c1ccccc1 62a_100000756946_200011218217 [0,1,1,0,0,0|1,0,0]=3 7846 B17R1.5146 CCCC(CCC)SCC(C)c1ccccc1 62a_200011218217_100000756946 [0,1,1,0,0,0|1,0,0]=3 7847 B17R1.5146 CCCC(CCC)SCC(O)c1ccccc1 62a_100000185958_200011218217 [0,1,1,0,0,0|1,0,0]=3 7848 B17R1.5146 CCCC(CCC)SCC(O)c1ccccc1 62a_200011218217_100000185958 [0,1,1,0,0,0|1,0,0]=3 7849 B17R1.5146 CCCC(CCC)SCS(=O)c1ccccc1 62a_200011218217_100000031784 [0,1,1,0,0,0|2,0,0]=4 7850 B17R1.5146 CCCC(CCC)SC[C@@H](O)c1ccccc1 62a_100011933945_200011218217 [0,1,1,0,0,0|1,0,0]=3 7851 B17R1.5146 CCCC(CCC)SC[C@@H](O)c1ccccc1 62a_200011218217_100011933945 [0,1,1,0,0,0|1,0,0]=3 7852 B17R1.5146 CCCN(CCC)CCC(C)c1ccccc1 270004a_100000210455_100000189432 [0,1,1,0,0,0|2,0,0]=4 7853 B17R1.5146 CCCN(CCC)CC[C@@H](O)c1ccccc1 2230a_100000210455_100000729684 [0,1,1,0,0,0|2,0,0]=4 7854 B17R1.5146 CCCN(CCC)CC[C@@H](O)c1ccccc1 269982a_100000210455_100000729684 [0,1,1,0,0,0|2,0,0]=4 7855 B17R1.5146 CCC[C@@H](CCO)NCC(C)c1ccccc1 2230a_100015193777_100000756946 [0,1,1,0,0,0|1,0,0]=3 7856 B17R1.5146 CCC[C@@H](CCO)NCC(C)c1ccccc1 270004a_100015193777_100000212034 [0,1,1,0,0,0|1,0,0]=3 7857 B17R1.5146 CCC[C@@H](CCO)NCC(C)c1ccccc1 34a_100015193777_100000756946 [0,1,1,0,0,0|1,0,0]=3 7858 B17R1.5146 CCC[C@@H](CCO)NCC(O)c1ccccc1 2230a_100015193777_100000185958 [0,1,1,0,0,0|1,0,0]=3 7859 B17R1.5146 CCC[C@@H](CCO)NCC(O)c1ccccc1 34a_100015193777_100000185958 [0,1,1,0,0,0|1,0,0]=3 7860 B17R1.5146 CCC[C@@H](CCO)NC[C@@H](O)c1ccccc1 2230a_100015193777_100011933945 [0,1,1,0,0,0|1,0,0]=3 7861 B17R1.5146 CCC[C@@H](CCO)NC[C@@H](O)c1ccccc1 34a_100015193777_100011933945 [0,1,1,0,0,0|1,0,0]=3 7862 B17R1.5146 COCC(COC)NCC(C)c1ccccc1 2230a_100011997029_100000756946 [0,1,1,0,0,0|2,0,0]=4 7863 B17R1.5146 COCC(COC)NCC(C)c1ccccc1 270004a_100000701038_100000761750 [0,1,1,0,0,0|2,0,0]=4 7864 B17R1.5146 COCC(COC)NCC(C)c1ccccc1 270004a_100011997029_100000212034 [0,1,1,0,0,0|2,0,0]=4 7865 B17R1.5146 COCC(COC)NCC(O)c1ccccc1 2230a_100011997029_100000185958 [0,1,1,0,0,0|2,0,0]=4 7866 B17R1.5146 COCC(COC)NCC(O)c1ccccc1 270004a_100000210709_100000761750 [0,1,1,0,0,0|2,0,0]=4 7867 B17R1.5146 COCC(COC)NC[C@@H](O)c1ccccc1 2230a_100011997029_100011933945 [0,1,1,0,0,0|2,0,0]=4 7868 B17R1.5164 CCCC(CCC)COCc1cccc(c1)Br 34a_200011215456_100000698116 [0,1,1,0,0,0|2,0,0]=4 7869 B17R1.5164 CCCC(CCC)COCc1cccc(c1)Br 7a_200011215456_100000211773 [0,1,1,0,0,0|2,0,0]=4 7870 B17R1.5164 CCCC(CCC)COCc1cccc(c1)C 34a_200011215456_100000211840 [0,1,1,0,0,0|2,0,0]=4 7871 B17R1.5164 CCCC(CCC)COCc1cccc(c1)C 7a_200011215456_100000211840 [0,1,1,0,0,0|2,0,0]=4 7872 B17R1.5164 CCCC(CCC)COCc1cccc(c1)Cl 34a_200011215456_100000187163 [0,1,1,0,0,0|2,0,0]=4 7873 B17R1.5164 CCCC(CCC)COCc1cccc(c1)Cl 7a_200011215456_100000187163 [0,1,1,0,0,0|2,0,0]=4 7874 B17R1.5164 CCCC(CCC)COCc1cccc(c1)F 34a_200011215456_100000187166 [0,1,1,0,0,0|2,0,0]=4 7875 B17R1.5164 CCCC(CCC)COCc1cccc(c1)F 7a_200011215456_100000230114 [0,1,1,0,0,0|2,0,0]=4 7876 B17R1.5164 CCCC(CCC)COCc1cccc(c1)I 34a_200011215456_100011218688 [0,1,1,0,0,0|2,0,0]=4 7877 B17R1.5164 CCCC(CCC)COCc1cccc(c1)I 7a_200011215456_100011218688 [0,1,1,0,0,0|2,0,0]=4 7878 B17R1.5164 CCCC(CCC)COCc1cccc(c1)O 34a_200011215456_100011660834 [0,1,1,0,0,0|2,0,0]=4 7879 B17R1.5164 CCCC(CCC)COCc1cccc(c1)O 7a_200011215456_100000084143 [0,1,1,0,0,0|2,0,0]=4 7880 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Br 2230a_100011207992_100011740638 [0,1,1,0,0,0|0,0,0]=2 7881 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Br 270004a_100011207229_100000210088 [0,1,1,0,0,0|0,0,0]=2 7882 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Br 34a_100011207229_200011218217 [0,1,1,0,0,0|0,0,0]=2 7883 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Br 34a_100011207992_100011740638 [0,1,1,0,0,0|0,0,0]=2 7884 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)C 2230a_100011207992_100011713685 [0,1,1,0,0,0|0,0,0]=2 7885 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)C 270004a_100000749837_100000210088 [0,1,1,0,0,0|0,0,0]=2 7886 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)C 34a_100000749837_200011218217 [0,1,1,0,0,0|0,0,0]=2 7887 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)C 34a_100011207992_100011713685 [0,1,1,0,0,0|0,0,0]=2 7888 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Cl 2230a_100011207992_100011713710 [0,1,1,0,0,0|0,0,0]=2 7889 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Cl 270004a_100000185263_100000210088 [0,1,1,0,0,0|0,0,0]=2 7890 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Cl 34a_100000185263_200011218217 [0,1,1,0,0,0|0,0,0]=2 7891 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)Cl 34a_100011207992_100011713710 [0,1,1,0,0,0|0,0,0]=2 7892 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)F 2230a_100011207992_100011217235 [0,1,1,0,0,0|0,0,0]=2 7893 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)F 270004a_100000205154_100000210088 [0,1,1,0,0,0|0,0,0]=2 7894 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)F 34a_100000205154_200011218217 [0,1,1,0,0,0|0,0,0]=2 7895 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)F 34a_100011207992_100011217235 [0,1,1,0,0,0|0,0,0]=2 7896 B17R1.5164 CCCC(CCC)NCCc1cccc(c1)O 34a_100000747277_200011218217 [0,1,1,0,0,0|0,0,0]=2 7897 B17R1.5164 CCCC(CCC)NCCc1cccc(n1)C 270004a_100011824523_100000210088 [0,1,1,0,0,0|1,0,0]=3 7898 B17R1.5164 CCCC(CCC)NCCc1cccc(n1)C 34a_100011824523_200011218217 [0,1,1,0,0,0|1,0,0]=3 7899 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Br 34a_100011217444_200011218217 [0,1,1,0,0,0|1,0,0]=3 7900 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Br 34a_200011218534_100011740638 [0,1,1,0,0,0|1,0,0]=3 7901 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Br 7a_100011217444_200011218217 [0,1,1,0,0,0|1,0,0]=3 7902 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Br 7a_200011218534_100011740638 [0,1,1,0,0,0|1,0,0]=3 7903 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)C 34a_100011217157_200011218217 [0,1,1,0,0,0|1,0,0]=3 7904 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)C 34a_200011218534_100011713685 [0,1,1,0,0,0|1,0,0]=3 7905 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)C 7a_100011217157_200011218217 [0,1,1,0,0,0|1,0,0]=3 7906 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)C 7a_200011218534_100011713685 [0,1,1,0,0,0|1,0,0]=3 7907 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Cl 34a_100000754733_200011218217 [0,1,1,0,0,0|1,0,0]=3 7908 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Cl 34a_200011218534_100011713710 [0,1,1,0,0,0|1,0,0]=3 7909 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Cl 7a_100000754733_200011218217 [0,1,1,0,0,0|1,0,0]=3 7910 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)Cl 7a_200011218534_100011713710 [0,1,1,0,0,0|1,0,0]=3 7911 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)F 34a_100000763591_200011218217 [0,1,1,0,0,0|1,0,0]=3 7912 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)F 34a_200011218534_100011217235 [0,1,1,0,0,0|1,0,0]=3 7913 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)F 7a_100000763591_200011218217 [0,1,1,0,0,0|1,0,0]=3 7914 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)F 7a_200011218534_100011217235 [0,1,1,0,0,0|1,0,0]=3 7915 B17R1.5164 CCCC(CCC)OCCc1cccc(c1)N 34a_100011996697_200011218217 [0,1,1,0,0,0|1,0,0]=3 7916 B17R1.5164 CCCC(CCC)OCCc1cccc(n1)Br 34a_100010221043_200011218217 [0,1,1,0,0,0|2,0,0]=4 7917 B17R1.5164 CCCC(CCC)OCCc1cccc(n1)Br 7a_100010221043_200011218217 [0,1,1,0,0,0|2,0,0]=4 7918 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)Br 62a_100011740638_200011218217 [0,1,1,0,0,0|1,0,0]=3 7919 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)Br 62a_200011218217_100011740638 [0,1,1,0,0,0|1,0,0]=3 7920 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)C 62a_100011713685_200011218217 [0,1,1,0,0,0|1,0,0]=3 7921 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)C 62a_200011218217_100011713685 [0,1,1,0,0,0|1,0,0]=3 7922 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)Cl 62a_100011713710_200011218217 [0,1,1,0,0,0|1,0,0]=3 7923 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)Cl 62a_200011218217_100011713710 [0,1,1,0,0,0|1,0,0]=3 7924 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)F 62a_100011217235_200011218217 [0,1,1,0,0,0|1,0,0]=3 7925 B17R1.5164 CCCC(CCC)SCCc1cccc(c1)F 62a_200011218217_100011217235 [0,1,1,0,0,0|1,0,0]=3 7926 B17R1.5164 CCCN(CCC)CCCc1cccc(c1)Br 2230a_100000210455_100011713683 [0,1,1,0,0,0|2,0,0]=4 7927 B17R1.5164 CCCN(CCC)CCCc1cccc(c1)Br 269982a_100000210455_100011713683 [0,1,1,0,0,0|2,0,0]=4 7928 B17R1.5164 CCCN(CCC)CCCc1cccc(c1)F 2230a_100000210455_200000698031 [0,1,1,0,0,0|2,0,0]=4 7929 B17R1.5164 CCCN(CCC)CCCc1cccc(c1)F 269982a_100000210455_200000698031 [0,1,1,0,0,0|2,0,0]=4 7930 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)Br 2230a_100015193777_100011740638 [0,1,1,0,0,0|1,0,0]=3 7931 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)Br 34a_100015193777_100011740638 [0,1,1,0,0,0|1,0,0]=3 7932 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)C 2230a_100015193777_100011713685 [0,1,1,0,0,0|1,0,0]=3 7933 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)C 34a_100015193777_100011713685 [0,1,1,0,0,0|1,0,0]=3 7934 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)Cl 2230a_100015193777_100011713710 [0,1,1,0,0,0|1,0,0]=3 7935 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)Cl 34a_100015193777_100011713710 [0,1,1,0,0,0|1,0,0]=3 7936 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)F 2230a_100015193777_100011217235 [0,1,1,0,0,0|1,0,0]=3 7937 B17R1.5164 CCC[C@@H](CCO)NCCc1cccc(c1)F 34a_100015193777_100011217235 [0,1,1,0,0,0|1,0,0]=3 7938 B17R1.5164 COCC(COC)NCCc1cccc(c1)Br 2230a_100011997029_100011740638 [0,1,1,0,0,0|2,0,0]=4 7939 B17R1.5164 COCC(COC)NCCc1cccc(c1)Br 270004a_100011207229_100000761750 [0,1,1,0,0,0|2,0,0]=4 7940 B17R1.5164 COCC(COC)NCCc1cccc(c1)C 2230a_100011997029_100011713685 [0,1,1,0,0,0|2,0,0]=4 7941 B17R1.5164 COCC(COC)NCCc1cccc(c1)C 270004a_100000749837_100000761750 [0,1,1,0,0,0|2,0,0]=4 7942 B17R1.5164 COCC(COC)NCCc1cccc(c1)Cl 2230a_100011997029_100011713710 [0,1,1,0,0,0|2,0,0]=4 7943 B17R1.5164 COCC(COC)NCCc1cccc(c1)Cl 270004a_100000185263_100000761750 [0,1,1,0,0,0|2,0,0]=4 7944 B17R1.5164 COCC(COC)NCCc1cccc(c1)F 2230a_100011997029_100011217235 [0,1,1,0,0,0|2,0,0]=4 7945 B17R1.5164 COCC(COC)NCCc1cccc(c1)F 270004a_100000205154_100000761750 [0,1,1,0,0,0|2,0,0]=4 7946 B17R1.18305 CCCC(CCC)COCc1ccccc1Br 34a_200011215456_100000184730 [0,1,1,0,0,0|2,0,0]=4 7947 B17R1.18305 CCCC(CCC)COCc1ccccc1Br 7a_200011215456_100000184730 [0,1,1,0,0,0|2,0,0]=4 7948 B17R1.18305 CCCC(CCC)COCc1ccccc1C 34a_200011215456_100000211839 [0,1,1,0,0,0|2,0,0]=4 7949 B17R1.18305 CCCC(CCC)COCc1ccccc1C 7a_200011215456_100000211839 [0,1,1,0,0,0|2,0,0]=4 7950 B17R1.18305 CCCC(CCC)COCc1ccccc1Cl 34a_200011215456_100000187162 [0,1,1,0,0,0|2,0,0]=4 7951 B17R1.18305 CCCC(CCC)COCc1ccccc1Cl 7a_200011215456_100000187162 [0,1,1,0,0,0|2,0,0]=4 7952 B17R1.18305 CCCC(CCC)COCc1ccccc1F 34a_200011215456_100000211605 [0,1,1,0,0,0|2,0,0]=4 7953 B17R1.18305 CCCC(CCC)COCc1ccccc1F 7a_200011215456_100000211605 [0,1,1,0,0,0|2,0,0]=4 7954 B17R1.18305 CCCC(CCC)COCc1ccccc1I 34a_200011215456_100011215278 [0,1,1,0,0,0|2,0,0]=4 7955 B17R1.18305 CCCC(CCC)COCc1ccccc1I 7a_200011215456_100011215278 [0,1,1,0,0,0|2,0,0]=4 7956 B17R1.18305 CCCC(CCC)NCCc1ccccc1Br 2230a_100011207992_100012161201 [0,1,1,0,0,0|0,0,0]=2 7957 B17R1.18305 CCCC(CCC)NCCc1ccccc1Br 270004a_100000747383_100000210088 [0,1,1,0,0,0|0,0,0]=2 7958 B17R1.18305 CCCC(CCC)NCCc1ccccc1Br 34a_100000747383_200011218217 [0,1,1,0,0,0|0,0,0]=2 7959 B17R1.18305 CCCC(CCC)NCCc1ccccc1Br 34a_100011207992_100012161201 [0,1,1,0,0,0|0,0,0]=2 7960 B17R1.18305 CCCC(CCC)NCCc1ccccc1C 2230a_100011207992_100011713688 [0,1,1,0,0,0|0,0,0]=2 7961 B17R1.18305 CCCC(CCC)NCCc1ccccc1C 270004a_100000685071_100000210088 [0,1,1,0,0,0|0,0,0]=2 7962 B17R1.18305 CCCC(CCC)NCCc1ccccc1C 34a_100000685071_200011218217 [0,1,1,0,0,0|0,0,0]=2 7963 B17R1.18305 CCCC(CCC)NCCc1ccccc1C 34a_100011207992_100011713688 [0,1,1,0,0,0|0,0,0]=2 7964 B17R1.18305 CCCC(CCC)NCCc1ccccc1Cl 2230a_100011207992_100011713703 [0,1,1,0,0,0|0,0,0]=2 7965 B17R1.18305 CCCC(CCC)NCCc1ccccc1Cl 270004a_100011207228_100000210088 [0,1,1,0,0,0|0,0,0]=2 7966 B17R1.18305 CCCC(CCC)NCCc1ccccc1Cl 270004a_100011207992_200011713468 [0,1,1,0,0,0|0,0,0]=2 7967 B17R1.18305 CCCC(CCC)NCCc1ccccc1Cl 34a_100011207228_200011218217 [0,1,1,0,0,0|0,0,0]=2 7968 B17R1.18305 CCCC(CCC)NCCc1ccccc1Cl 34a_100011207992_100011713703 [0,1,1,0,0,0|0,0,0]=2 7969 B17R1.18305 CCCC(CCC)NCCc1ccccc1F 2230a_100011207992_100011713696 [0,1,1,0,0,0|0,0,0]=2 7970 B17R1.18305 CCCC(CCC)NCCc1ccccc1F 270004a_100000185272_100000210088 [0,1,1,0,0,0|0,0,0]=2 7971 B17R1.18305 CCCC(CCC)NCCc1ccccc1F 34a_100000185272_200011218217 [0,1,1,0,0,0|0,0,0]=2 7972 B17R1.18305 CCCC(CCC)NCCc1ccccc1F 34a_100011207992_100000720011 [0,1,1,0,0,0|0,0,0]=2 7973 B17R1.18305 CCCC(CCC)NCCc1ccccc1O 270004a_100011207237_100000210088 [0,1,1,0,0,0|0,0,0]=2 7974 B17R1.18305 CCCC(CCC)NCCc1ccccc1O 34a_100011207237_200011218217 [0,1,1,0,0,0|0,0,0]=2 7975 B17R1.18305 CCCC(CCC)NCCc1ccccc1O 34a_100011207992_100000722297 [0,1,1,0,0,0|0,0,0]=2 7976 B17R1.18305 CCCC(CCC)OCCc1ccccc1Br 34a_100000731337_200011218217 [0,1,1,0,0,0|1,0,0]=3 7977 B17R1.18305 CCCC(CCC)OCCc1ccccc1Br 34a_200011218534_100012161201 [0,1,1,0,0,0|1,0,0]=3 7978 B17R1.18305 CCCC(CCC)OCCc1ccccc1Br 7a_100000731337_200011218217 [0,1,1,0,0,0|1,0,0]=3 7979 B17R1.18305 CCCC(CCC)OCCc1ccccc1Br 7a_200011218534_100012161201 [0,1,1,0,0,0|1,0,0]=3 7980 B17R1.18305 CCCC(CCC)OCCc1ccccc1C 34a_100011220023_200011218217 [0,1,1,0,0,0|1,0,0]=3 7981 B17R1.18305 CCCC(CCC)OCCc1ccccc1C 34a_200011218534_100011713688 [0,1,1,0,0,0|1,0,0]=3 7982 B17R1.18305 CCCC(CCC)OCCc1ccccc1C 7a_100011220023_200011218217 [0,1,1,0,0,0|1,0,0]=3 7983 B17R1.18305 CCCC(CCC)OCCc1ccccc1C 7a_200011218534_100011713688 [0,1,1,0,0,0|1,0,0]=3 7984 B17R1.18305 CCCC(CCC)OCCc1ccccc1Cl 34a_100011215284_200011218217 [0,1,1,0,0,0|1,0,0]=3 7985 B17R1.18305 CCCC(CCC)OCCc1ccccc1Cl 34a_200011218534_100011713703 [0,1,1,0,0,0|1,0,0]=3 7986 B17R1.18305 CCCC(CCC)OCCc1ccccc1Cl 7a_100011215284_200011218217 [0,1,1,0,0,0|1,0,0]=3 7987 B17R1.18305 CCCC(CCC)OCCc1ccccc1Cl 7a_200011218534_100011713703 [0,1,1,0,0,0|1,0,0]=3 7988 B17R1.18305 CCCC(CCC)OCCc1ccccc1F 34a_100000753711_200011218217 [0,1,1,0,0,0|1,0,0]=3 7989 B17R1.18305 CCCC(CCC)OCCc1ccccc1F 34a_200011218534_100000720011 [0,1,1,0,0,0|1,0,0]=3 7990 B17R1.18305 CCCC(CCC)OCCc1ccccc1F 7a_100000753711_200011218217 [0,1,1,0,0,0|1,0,0]=3 7991 B17R1.18305 CCCC(CCC)OCCc1ccccc1F 7a_200011218534_100000720011 [0,1,1,0,0,0|1,0,0]=3 7992 B17R1.18305 CCCC(CCC)OCCc1ccccc1I 34a_100010255290_200011218217 [0,1,1,0,0,0|1,0,0]=3 7993 B17R1.18305 CCCC(CCC)OCCc1ccccc1I 7a_100010255290_200011218217 [0,1,1,0,0,0|1,0,0]=3 7994 B17R1.18305 CCCC(CCC)OCCc1ccccc1N 34a_100011215289_200011218217 [0,1,1,0,0,0|1,0,0]=3 7995 B17R1.18305 CCCC(CCC)OCCc1ccccc1O 34a_200011218534_100000722297 [0,1,1,0,0,0|1,0,0]=3 7996 B17R1.18305 CCCC(CCC)OCCc1ccccc1O 7a_200011218534_100000722297 [0,1,1,0,0,0|1,0,0]=3 7997 B17R1.18305 CCCC(CCC)OCCc1ncccc1C 34a_100011997706_200011218217 [0,1,1,0,0,0|2,0,0]=4 7998 B17R1.18305 CCCC(CCC)OCCc1ncccc1C 7a_100011997706_200011218217 [0,1,1,0,0,0|2,0,0]=4 7999 B17R1.18305 CCCC(CCC)SCCc1ccccc1Br 62a_100012161201_200011218217 [0,1,1,0,0,0|1,0,0]=3 8000 B17R1.18305 CCCC(CCC)SCCc1ccccc1Br 62a_200011218217_100012161201 [0,1,1,0,0,0|1,0,0]=3 8001 B17R1.18305 CCCC(CCC)SCCc1ccccc1C 62a_100011713688_200011218217 [0,1,1,0,0,0|1,0,0]=3 8002 B17R1.18305 CCCC(CCC)SCCc1ccccc1C 62a_200011218217_100011713688 [0,1,1,0,0,0|1,0,0]=3 8003 B17R1.18305 CCCC(CCC)SCCc1ccccc1Cl 62a_100011713703_200011218217 [0,1,1,0,0,0|1,0,0]=3 8004 B17R1.18305 CCCC(CCC)SCCc1ccccc1Cl 62a_200011218217_100011713703 [0,1,1,0,0,0|1,0,0]=3 8005 B17R1.18305 CCCC(CCC)SCCc1ccccc1F 62a_100011713696_200011218217 [0,1,1,0,0,0|1,0,0]=3 8006 B17R1.18305 CCCC(CCC)SCCc1ccccc1F 62a_200011218217_100011713696 [0,1,1,0,0,0|1,0,0]=3 8007 B17R1.18305 CCCC(CCC)SCCc1ccccc1O 62a_100000722297_200011218217 [0,1,1,0,0,0|1,0,0]=3 8008 B17R1.18305 CCCC(CCC)SCCc1ccccc1O 62a_200011218217_100000722297 [0,1,1,0,0,0|1,0,0]=3 8009 B17R1.18305 CCCN(CCC)CCCc1ccccc1Br 2230a_100000210455_200011713681 [0,1,1,0,0,0|2,0,0]=4 8010 B17R1.18305 CCCN(CCC)CCCc1ccccc1Br 269982a_100000210455_200011713681 [0,1,1,0,0,0|2,0,0]=4 8011 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1Br 2230a_100015193777_100012161201 [0,1,1,0,0,0|1,0,0]=3 8012 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1Br 34a_100015193777_100012161201 [0,1,1,0,0,0|1,0,0]=3 8013 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1C 2230a_100015193777_100011713688 [0,1,1,0,0,0|1,0,0]=3 8014 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1C 34a_100015193777_100011713688 [0,1,1,0,0,0|1,0,0]=3 8015 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1Cl 2230a_100015193777_100011713703 [0,1,1,0,0,0|1,0,0]=3 8016 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1Cl 270004a_100015193777_200011713468 [0,1,1,0,0,0|1,0,0]=3 8017 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1Cl 34a_100015193777_100011713703 [0,1,1,0,0,0|1,0,0]=3 8018 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1F 2230a_100015193777_100011713696 [0,1,1,0,0,0|1,0,0]=3 8019 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1F 34a_100015193777_100000720011 [0,1,1,0,0,0|1,0,0]=3 8020 B17R1.18305 CCC[C@@H](CCO)NCCc1ccccc1O 34a_100015193777_100000722297 [0,1,1,0,0,0|1,0,0]=3 8021 B17R1.18305 COCC(COC)NCCc1ccccc1Br 2230a_100011997029_100012161201 [0,1,1,0,0,0|2,0,0]=4 8022 B17R1.18305 COCC(COC)NCCc1ccccc1Br 270004a_100000747383_100000761750 [0,1,1,0,0,0|2,0,0]=4 8023 B17R1.18305 COCC(COC)NCCc1ccccc1C 2230a_100011997029_100011713688 [0,1,1,0,0,0|2,0,0]=4 8024 B17R1.18305 COCC(COC)NCCc1ccccc1C 270004a_100000685071_100000761750 [0,1,1,0,0,0|2,0,0]=4 8025 B17R1.18305 COCC(COC)NCCc1ccccc1Cl 2230a_100011997029_100011713703 [0,1,1,0,0,0|2,0,0]=4 8026 B17R1.18305 COCC(COC)NCCc1ccccc1Cl 270004a_100011207228_100000761750 [0,1,1,0,0,0|2,0,0]=4 8027 B17R1.18305 COCC(COC)NCCc1ccccc1Cl 270004a_100011997029_200011713468 [0,1,1,0,0,0|2,0,0]=4 8028 B17R1.18305 COCC(COC)NCCc1ccccc1F 2230a_100011997029_100011713696 [0,1,1,0,0,0|2,0,0]=4 8029 B17R1.18305 COCC(COC)NCCc1ccccc1F 270004a_100000185272_100000761750 [0,1,1,0,0,0|2,0,0]=4 8030 B17R1.18305 COCC(COC)NCCc1ccccc1O 270004a_100011207237_100000761750 [0,1,1,0,0,0|2,0,0]=4 8031 B17R1.18541 CCCC(NCCc1ccccc1)C(=O)NC 2230a_106256046333_100000765856 [0,1,1,0,0,0|1,0,1]=4 8032 B17R1.18541 CCCC(NCCc1ccccc1)C(=O)NC 34a_106256046333_100000765856 [0,1,1,0,0,0|1,0,1]=4 8033 B17R1.18541 CCCC(NCCc1ccccc1)C(=O)OC 2230a_100000106460_200009843822 [0,1,1,0,0,0|1,0,1]=4 8034 B17R1.18541 CCCC(NCCc1ccccc1)C(=O)OC 34a_100000106460_200009843822 [0,1,1,0,0,0|1,0,1]=4 8035 B17R1.18541 CCCC(NCCc1ccccc1)C(C)CC 270004a_100000106460_100011218362 [0,1,1,0,0,0|0,0,0]=2 8036 B17R1.18541 CCCC(NCCc1ccccn1)C(C)CC 270004a_100000211156_100011218362 [0,1,1,0,0,0|1,0,0]=3 8037 B17R1.18541 CCCC(NCCc1cccnc1)C(C)CC 270004a_100000736294_100011218362 [0,1,1,0,0,0|1,0,0]=3 8038 B17R1.18541 CCCC(NCCc1ccncc1)C(C)CC 270004a_100000742849_100011218362 [0,1,1,0,0,0|1,0,0]=3 8039 B17R1.18541 CCCC(NCCc1cnccn1)C(C)CC 270004a_100000723456_100011218362 [0,1,1,0,0,0|2,0,0]=4 8040 B17R1.18541 CCCC(OCCc1ccccc1)C(C)CC 34a_100011215975_100000765856 [0,1,1,0,0,0|1,0,0]=3 8041 B17R1.18541 CCCC(OCCc1ccccc1)C(C)CC 7a_100011215975_100000765856 [0,1,1,0,0,0|1,0,0]=3 8042 B17R1.18541 CCCC(OCCc1ccccn1)C(C)CC 7a_100011215975_100015183660 [0,1,1,0,0,0|2,0,0]=4 8043 B17R1.18541 CCCC(OCCc1cccnc1)C(C)CC 7a_100011215975_200011713674 [0,1,1,0,0,0|2,0,0]=4 8044 B17R1.18541 CCCC(OCCc1ccncc1)C(C)CC 7a_100011215975_100000723409 [0,1,1,0,0,0|2,0,0]=4 8045 B17R1.18541 CCCN(CCCc1ccccc1)C(C)CC 2230a_200011216551_100000211621 [0,1,1,0,0,0|2,0,0]=4 8046 B17R1.18541 CCCN(CCCc1ccccc1)C(C)CC 269982a_200011216551_100000211621 [0,1,1,0,0,0|2,0,0]=4 8047 B17R1.18543 CC(C)C[C@@H](CCO)NCCc1ccccc1 2230a_100161151251_100000765856 [0,1,1,0,0,0|1,0,0]=3 8048 B17R1.18543 CC(C)C[C@@H](CCO)NCCc1ccccn1 2230a_100161151251_100015183660 [0,1,1,0,0,0|2,0,0]=4 8049 B17R1.18543 CC(C)C[C@@H](CCO)NCCc1cccnc1 2230a_100161151251_200011713674 [0,1,1,0,0,0|2,0,0]=4 8050 B17R1.18543 CC(C)C[C@@H](CCO)NCCc1ccncc1 2230a_100161151251_100000723409 [0,1,1,0,0,0|2,0,0]=4 8051 B17R1.18543 CC(C)C[C@@H](CCO)NCSc1ccccc1 2230a_100161151251_100011218342 [0,1,1,0,0,0|2,0,0]=4 8052 B17R1.18543 CCCC(CC(C)C)OCCc1ccccc1 34a_100011351045_100000765856 [0,1,1,0,0,0|1,0,0]=3 8053 B17R1.18543 CCCC(CC(C)C)OCCc1ccccc1 7a_100011351045_100000765856 [0,1,1,0,0,0|1,0,0]=3 8054 B17R1.18543 CCCC(CC(C)C)OCCc1ccccn1 7a_100011351045_100015183660 [0,1,1,0,0,0|2,0,0]=4 8055 B17R1.18543 CCCC(CC(C)C)OCCc1cccnc1 7a_100011351045_200011713674 [0,1,1,0,0,0|2,0,0]=4 8056 B17R1.18543 CCCC(CC(C)C)OCCc1ccncc1 7a_100011351045_100000723409 [0,1,1,0,0,0|2,0,0]=4 8057 B17R1.18629 CCCC(CCC)NC(=O)C[n+]1ccccc1 11a_100011207992_200000086051 [0,1,1,0,0,0|1,0,1]=4 8058 B17R1.18629 CCCC(CCC)NC(=O)C[n+]1ccccc1 240690a_100011207992_200000086051 [0,1,1,0,0,0|1,0,1]=4 8059 B17R1.18629 CCCC(CCC)NC(=O)C[n+]1ccccc1 527a_100011207992_200000086051 [0,1,1,0,0,0|1,0,1]=4 8060 B17R1.18629 CCCC(CCC)NC(=O)Cc1ccccn1 11a_100011207992_100000233486 [0,1,1,0,0,0|1,0,1]=4 8061 B17R1.18629 CCCC(CCC)NC(=O)Cc1cccnc1 11a_100011207992_100000737805 [0,1,1,0,0,0|1,0,1]=4 8062 B17R1.18629 CCCC(CCC)NC(=O)Cc1cccnc1 240690a_100011207992_100000737805 [0,1,1,0,0,0|1,0,1]=4 8063 B17R1.18629 CCCC(CCC)NC(=O)Cc1cccnc1 527a_100011207992_100000737805 [0,1,1,0,0,0|1,0,1]=4 8064 B17R1.18629 CCCC(CCC)NC(=O)Cc1ccncc1 11a_100011207992_100011201483 [0,1,1,0,0,0|1,0,1]=4 8065 B17R1.18629 CCCC(CCC)NC(=O)Cc1ccncc1 240690a_100011207992_100011201483 [0,1,1,0,0,0|1,0,1]=4 8066 B17R1.18629 CCCC(CCC)NC(=O)Nc1ccccc1 2430a_100000106764_100011207992 [0,1,1,0,0,0|1,0,1]=4 8067 B17R1.18629 CCCC(CCC)NC(C)C[n+]1ccccc1 270004a_100011207992_100000034229 [0,1,1,0,0,0|1,0,0]=3 8068 B17R1.18629 CCCC(CCC)NC(C)Cc1ccccc1 34a_100011207992_200011218536 [0,1,1,0,0,0|0,0,0]=2 8069 B17R1.18629 CCCC(CCC)NC(C)Cc1ccccn1 270004a_100000238496_100000210088 [0,1,1,0,0,0|1,0,0]=3 8070 B17R1.18629 CCCC(CCC)NC(C)Cc1cccnc1 270004a_100011207255_100000210088 [0,1,1,0,0,0|1,0,0]=3 8071 B17R1.18629 CCCC(CCC)NC(C)Cc1cccnc1 270004a_100011207992_100015187140 [0,1,1,0,0,0|1,0,0]=3 8072 B17R1.18629 CCCC(CCC)NC(C)Cc1ccncc1 270004a_100011207992_100000238508 [0,1,1,0,0,0|1,0,0]=3 8073 B17R1.18629 CCCC(CCC)NC(C)Cc1cnccn1 270004a_100011207992_100015184882 [0,1,1,0,0,0|2,0,0]=4 8074 B17R1.18629 CCCC(CCC)NC(C)Cc1cnccn1 270004a_100011277835_100000210088 [0,1,1,0,0,0|2,0,0]=4 8075 B17R1.18629 CCCC(CCC)OC(C)Cc1ccccc1 34a_100000748627_200011218217 [0,1,1,0,0,0|1,0,0]=3 8076 B17R1.18629 CCCC(CCC)OC(C)Cc1ccccc1 34a_200011218534_200011218536 [0,1,1,0,0,0|1,0,0]=3 8077 B17R1.18629 CCCC(CCC)OC(C)Cc1ccccc1 7a_100000748627_200011218217 [0,1,1,0,0,0|1,0,0]=3 8078 B17R1.18629 CCCC(CCC)OC(C)Cc1ccccc1 7a_200011218534_200011218536 [0,1,1,0,0,0|1,0,0]=3 8079 B17R1.18629 CCCC(CCC)SC(C)Cc1ccccc1 62a_200011218217_200011218536 [0,1,1,0,0,0|1,0,0]=3 8080 B17R1.18629 CCCC(CCC)SC(C)Cc1ccccc1 62a_200011218536_200011218217 [0,1,1,0,0,0|1,0,0]=3 8081 B17R1.18629 CCCN(CCC)C[C@@H](O)Cc1ccccc1 2230a_100000210455_100000729385 [0,1,1,0,0,0|2,0,0]=4 8082 B17R1.18629 CCCN(CCC)C[C@@H](O)Cc1ccccc1 269982a_100000210455_100000729385 [0,1,1,0,0,0|2,0,0]=4 8083 B17R1.18629 CCC[C@@H](CCO)NC(C)C[n+]1ccccc1 270004a_100015193777_100000034229 [0,1,1,0,0,0|2,0,0]=4 8084 B17R1.18629 CCC[C@@H](CCO)NC(C)Cc1ccccc1 34a_100015193777_200011218536 [0,1,1,0,0,0|1,0,0]=3 8085 B17R1.18629 CCC[C@@H](CCO)NC(C)Cc1cccnc1 270004a_100015193777_100015187140 [0,1,1,0,0,0|2,0,0]=4 8086 B17R1.18629 CCC[C@@H](CCO)NC(C)Cc1ccncc1 270004a_100015193777_100000238508 [0,1,1,0,0,0|2,0,0]=4 8087 B17R1.18646 CCCC(CCC)C(=O)CCc1ccccc1 1458a_100000185753_200011218217 [0,1,1,0,0,0|1,0,0]=3 8088 B17R1.18646 CCCC(CCC)C(=O)CCc1ccccc1 1458a_100011215354_100000765856 [0,1,1,0,0,0|1,0,0]=3 8089 B17R1.18646 CCCC(CCC)C(=O)CCc1ccccn1 1458a_100011215354_100015183660 [0,1,1,0,0,0|2,0,0]=4 8090 B17R1.18646 CCCC(CCC)C(=O)CCc1ccccn1 1458a_100015195070_200011218217 [0,1,1,0,0,0|2,0,0]=4 8091 B17R1.18646 CCCC(CCC)C(=O)CCc1cccnc1 1458a_100000198484_200011218217 [0,1,1,0,0,0|2,0,0]=4 8092 B17R1.18646 CCCC(CCC)C(=O)CCc1cccnc1 1458a_100011215354_200011713674 [0,1,1,0,0,0|2,0,0]=4 8093 B17R1.18646 CCCC(CCC)C(=O)CCc1ccncc1 1458a_100011215354_100000723409 [0,1,1,0,0,0|2,0,0]=4 8094 B17R1.18646 CCCC(CCC)C(=O)CCc1ccncc1 1458a_100011225043_200011218217 [0,1,1,0,0,0|2,0,0]=4 8095 B17R1.18646 CCCC(CCC)C(=O)COc1ccccc1 1458a_100000186222_200011218217 [0,1,1,0,0,0|2,0,0]=4 8096 B17R1.18646 CCCC(CCC)C(=O)CSc1ccccc1 1458a_100000211596_200011218217 [0,1,1,0,0,0|2,0,0]=4 8097 B17R1.18646 CCCC(CCC)C(=O)NCc1ccccc1 11a_100015324214_100011215354 [0,1,1,0,0,0|2,0,0]=4 8098 B17R1.18646 CCCC(CCC)C(=O)NCc1ccccc1 1626a_100015324214_100011215354 [0,1,1,0,0,0|2,0,0]=4 8099 B17R1.18646 CCCC(CCC)C(=O)NCc1ccccc1 240690a_100015324214_100011215354 [0,1,1,0,0,0|2,0,0]=4 8100 B17R1.18646 CCCC(CCC)C(=O)NCc1ccccc1 527a_100015324214_100011215354 [0,1,1,0,0,0|2,0,0]=4 8101 B17R1.18646 CCCC(CCC)N(C)CCc1ccccc1 269982a_100000207497_200011218217 [0,1,1,0,0,0|0,0,0]=2 8102 B17R1.18646 CCCC(CCC)N(C)CCc1ccccc1 270004a_100000207497_100000210088 [0,1,1,0,0,0|0,0,0]=2 8103 B17R1.18646 CCCC(CCC)N(C)CCc1ccccn1 269982a_100000737206_200011218217 [0,1,1,0,0,0|1,0,0]=3 8104 B17R1.18646 CCCC(CCC)N(C)CCc1ccccn1 270004a_100000737206_100000210088 [0,1,1,0,0,0|1,0,0]=3 8105 B17R1.18646 CCCC(CCC)N(C)CCc1cccnc1 269982a_100000763209_200011218217 [0,1,1,0,0,0|1,0,0]=3 8106 B17R1.18646 CCCC(CCC)N(C)CCc1cccnc1 270004a_100000763209_100000210088 [0,1,1,0,0,0|1,0,0]=3 8107 B17R1.18646 CCCC(CCC)N(C)CCc1ccncc1 269982a_100000742850_200011218217 [0,1,1,0,0,0|1,0,0]=3 8108 B17R1.18646 CCCC(CCC)N(C)CCc1ccncc1 270004a_100000742850_100000210088 [0,1,1,0,0,0|1,0,0]=3 8109 B17R1.18646 CCCN(CCC)C(=O)CCc1ccccc1 11a_100000210455_100000185753 [0,1,1,0,0,0|2,0,0]=4 8110 B17R1.18646 CCCN(CCC)C(=O)CCc1ccccc1 1626a_100000210455_100000185753 [0,1,1,0,0,0|2,0,0]=4 8111 B17R1.18646 CCCN(CCC)C(=O)CCc1ccccc1 240690a_100000210455_100000185753 [0,1,1,0,0,0|2,0,0]=4 8112 B17R1.18646 CCCN(CCC)C(=O)CCc1ccccc1 527a_100000210455_100000185753 [0,1,1,0,0,0|2,0,0]=4 8113 B17R1.18646 CCCN(CCC)C(C)CCc1ccccc1 270004a_100000210455_100000210092 [0,1,1,0,0,0|2,0,0]=4 8114 B17R1.18646 COCC(COC)N(C)CCc1ccccc1 270004a_100000207497_100000761750 [0,1,1,0,0,0|2,0,0]=4 8115 B17R1.115290 CCCC(C)(CCC)OCCc1ccccc1 7a_200011219694_100000765856 [0,1,1,0,0,0|1,0,0]=3 8116 B17R1.115290 CCCC(C)(CCC)OCCc1ccccn1 7a_200011219694_100015183660 [0,1,1,0,0,0|2,0,0]=4 8117 B17R1.115290 CCCC(C)(CCC)OCCc1cccnc1 7a_200011219694_200011713674 [0,1,1,0,0,0|2,0,0]=4 8118 B17R1.115290 CCCC(C)(CCC)OCCc1ccncc1 7a_200011219694_100000723409 [0,1,1,0,0,0|2,0,0]=4 8119 B17R1.62485 C=CC=CC(=O)CC(=O)NC1CCCCCC1 1458a_100016291481_100000183474 [0,1,1,0,0,0|1,0,1]=4 8120 B17R2.143 CC(C[n+]1ccccc1)NC2CCCCC2 270004a_100000182618_100000034229 [0,1,0,0,1,0|1,0,0]=3 8121 B17R2.143 CC(C[n+]1ccccc1)NC2CCCOC2 270004a_100000719290_100000034229 [0,1,0,0,1,0|2,0,0]=4 8122 B17R2.143 CC(C[n+]1ccccc1)NC2CCOCC2 270004a_100000741149_100000034229 [0,1,0,0,1,0|2,0,0]=4 8123 B17R2.143 CC(C[n+]1ccccc1)NC2CCSCC2 270004a_100000748639_100000034229 [0,1,0,0,1,0|2,0,0]=4 8124 B17R2.143 CC(Cc1ccccc1)NC2CCCCC2 34a_100000182618_200011218536 [0,1,0,0,1,0|0,0,0]=2 8125 B17R2.143 CC(Cc1ccccc1)NC2CCCOC2 34a_100000719290_200011218536 [0,1,0,0,1,0|1,0,0]=3 8126 B17R2.143 CC(Cc1ccccc1)NC2CCOCC2 34a_100000741149_200011218536 [0,1,0,0,1,0|1,0,0]=3 8127 B17R2.143 CC(Cc1ccccc1)NC2CCSCC2 34a_100000748639_200011218536 [0,1,0,0,1,0|1,0,0]=3 8128 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000210231_200011218536 [0,1,0,0,1,0|1,0,0]=3 8129 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000748627_100000210327 [0,1,0,0,1,0|1,0,0]=3 8130 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000210231_200011218536 [0,1,0,0,1,0|1,0,0]=3 8131 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000748627_100000210327 [0,1,0,0,1,0|1,0,0]=3 8132 B17R2.143 CC(Cc1ccccc1)OC2CCCCO2 34a_100000033831_200011218536 [0,1,0,0,1,0|2,0,0]=4 8133 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 34a_100000748627_100000693364 [0,1,0,0,1,0|2,0,0]=4 8134 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 34a_100000754041_200011218536 [0,1,0,0,1,0|2,0,0]=4 8135 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 7a_100000748627_100000693364 [0,1,0,0,1,0|2,0,0]=4 8136 B17R2.143 CC(Cc1ccccc1)OC2CCCSC2 7a_100015962668_200011218536 [0,1,0,0,1,0|2,0,0]=4 8137 B17R2.143 CC(Cc1ccccc1)OC2CCOCC2 34a_100000744328_200011218536 [0,1,0,0,1,0|2,0,0]=4 8138 B17R2.143 CC(Cc1ccccc1)OC2CCOCC2 7a_100000748627_100000686592 [0,1,0,0,1,0|2,0,0]=4 8139 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 34a_100000731022_200011218536 [0,1,0,0,1,0|2,0,0]=4 8140 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 34a_100000748627_100000069128 [0,1,0,0,1,0|2,0,0]=4 8141 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 7a_100000731022_200011218536 [0,1,0,0,1,0|2,0,0]=4 8142 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 7a_100000748627_100011500858 [0,1,0,0,1,0|2,0,0]=4 8143 B17R2.143 CC(Cc1ccccc1)SC2CCCCC2 62a_100000210327_200011218536 [0,1,0,0,1,0|1,0,0]=3 8144 B17R2.143 CC(Cc1ccccc1)SC2CCCCC2 62a_200011218536_100000210327 [0,1,0,0,1,0|1,0,0]=3 8145 B17R2.143 CC(Cc1ccccc1)SC2CCCOC2 62a_200011218536_100000693364 [0,1,0,0,1,0|2,0,0]=4 8146 B17R2.143 CC(Cc1ccccc1)SC2CCOCC2 62a_200011218536_100011324220 [0,1,0,0,1,0|2,0,0]=4 8147 B17R2.143 CC(Cc1ccccc1)SC2CCSCC2 62a_200011218536_100000069128 [0,1,0,0,1,0|2,0,0]=4 8148 B17R2.143 CC(Cc1ccccn1)NC2CCCCC2 270004a_100000238496_100000210434 [0,1,0,0,1,0|1,0,0]=3 8149 B17R2.143 CC(Cc1ccccn1)NC2CCCOC2 270004a_100000238496_100000753404 [0,1,0,0,1,0|2,0,0]=4 8150 B17R2.143 CC(Cc1ccccn1)NC2CCCSC2 270004a_100000238496_100000057913 [0,1,0,0,1,0|2,0,0]=4 8151 B17R2.143 CC(Cc1ccccn1)NC2CCNCC2 270004a_100000238496_100015192401 [0,1,0,0,1,0|2,0,0]=4 8152 B17R2.143 CC(Cc1ccccn1)NC2CCOCC2 270004a_100000238496_100011217826 [0,1,0,0,1,0|2,0,0]=4 8153 B17R2.143 CC(Cc1ccccn1)NC2CCSCC2 270004a_100000238496_100000203788 [0,1,0,0,1,0|2,0,0]=4 8154 B17R2.143 CC(Cc1cccnc1)NC2CCCCC2 270004a_100000182618_100015187140 [0,1,0,0,1,0|1,0,0]=3 8155 B17R2.143 CC(Cc1cccnc1)NC2CCCCC2 270004a_100011207255_100000210434 [0,1,0,0,1,0|1,0,0]=3 8156 B17R2.143 CC(Cc1cccnc1)NC2CCCOC2 270004a_100000719290_100015187140 [0,1,0,0,1,0|2,0,0]=4 8157 B17R2.143 CC(Cc1cccnc1)NC2CCCOC2 270004a_100011207255_100000753404 [0,1,0,0,1,0|2,0,0]=4 8158 B17R2.143 CC(Cc1cccnc1)NC2CCCSC2 270004a_100011207255_100000057913 [0,1,0,0,1,0|2,0,0]=4 8159 B17R2.143 CC(Cc1cccnc1)NC2CCNCC2 270004a_100011207255_100015192401 [0,1,0,0,1,0|2,0,0]=4 8160 B17R2.143 CC(Cc1cccnc1)NC2CCOCC2 270004a_100000741149_100015187140 [0,1,0,0,1,0|2,0,0]=4 8161 B17R2.143 CC(Cc1cccnc1)NC2CCOCC2 270004a_100011207255_100011217826 [0,1,0,0,1,0|2,0,0]=4 8162 B17R2.143 CC(Cc1cccnc1)NC2CCSCC2 270004a_100000748639_100015187140 [0,1,0,0,1,0|2,0,0]=4 8163 B17R2.143 CC(Cc1cccnc1)NC2CCSCC2 270004a_100011207255_100000203788 [0,1,0,0,1,0|2,0,0]=4 8164 B17R2.143 CC(Cc1ccncc1)NC2CCCCC2 270004a_100000182618_100000238508 [0,1,0,0,1,0|1,0,0]=3 8165 B17R2.143 CC(Cc1ccncc1)NC2CCCOC2 270004a_100000719290_100000238508 [0,1,0,0,1,0|2,0,0]=4 8166 B17R2.143 CC(Cc1ccncc1)NC2CCOCC2 270004a_100000741149_100000238508 [0,1,0,0,1,0|2,0,0]=4 8167 B17R2.143 CC(Cc1ccncc1)NC2CCSCC2 270004a_100000748639_100000238508 [0,1,0,0,1,0|2,0,0]=4 8168 B17R2.143 CC(Cc1cnccn1)NC2CCCCC2 270004a_100000182618_100015184882 [0,1,0,0,1,0|2,0,0]=4 8169 B17R2.143 CC(Cc1cnccn1)NC2CCCCC2 270004a_100011277835_100000210434 [0,1,0,0,1,0|2,0,0]=4 8170 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 2230a_100000186898_100000211423 [0,1,0,0,1,0|2,0,0]=4 8171 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 2230a_100000736448_100015291786 [0,1,0,0,1,0|2,0,0]=4 8172 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 2230a_100015187057_200000210301 [0,1,0,0,1,0|2,0,0]=4 8173 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 269982a_100000186898_100000211423 [0,1,0,0,1,0|2,0,0]=4 8174 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 269982a_100000736448_100000211182 [0,1,0,0,1,0|2,0,0]=4 8175 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 269982a_100015187057_200000210301 [0,1,0,0,1,0|2,0,0]=4 8176 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 270004a_100000736448_100015611070 [0,1,0,0,1,0|2,0,0]=4 8177 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 34a_100000736448_100015291786 [0,1,0,0,1,0|2,0,0]=4 8178 B17R2.143 CN(Cc1ccccc1)CC2CCCCC2 34a_100015187057_200000210301 [0,1,0,0,1,0|2,0,0]=4 8179 B17R2.143 O=C(C[n+]1ccccc1)NC2CCCCC2 11a_100000182618_200000086051 [0,1,0,0,1,0|1,0,1]=4 8180 B17R2.143 O=C(C[n+]1ccccc1)NC2CCCCC2 240690a_100000182618_200000086051 [0,1,0,0,1,0|1,0,1]=4 8181 B17R2.143 O=C(C[n+]1ccccc1)NC2CCCCC2 527a_100000182618_200000086051 [0,1,0,0,1,0|1,0,1]=4 8182 B17R2.143 O=C(Cc1ccccc1)CC2CCCCC2 1458a_100000211666_100015291786 [0,1,0,0,1,0|1,0,1]=4 8183 B17R2.143 O=C(Cc1ccccn1)NC2CCCCC2 11a_100000182618_100000233486 [0,1,0,0,1,0|1,0,1]=4 8184 B17R2.143 O=C(Cc1cccnc1)NC2CCCCC2 11a_100000182618_100000737805 [0,1,0,0,1,0|1,0,1]=4 8185 B17R2.143 O=C(Cc1cccnc1)NC2CCCCC2 240690a_100000182618_100000737805 [0,1,0,0,1,0|1,0,1]=4 8186 B17R2.143 O=C(Cc1cccnc1)NC2CCCCC2 527a_100000182618_100000737805 [0,1,0,0,1,0|1,0,1]=4 8187 B17R2.143 O=C(Cc1ccncc1)NC2CCCCC2 11a_100000182618_100011201483 [0,1,0,0,1,0|1,0,1]=4 8188 B17R2.143 O=C(Cc1ccncc1)NC2CCCCC2 240690a_100000182618_100011201483 [0,1,0,0,1,0|1,0,1]=4 8189 B17R2.143 O=C(Nc1ccccc1)NC2CCCCC2 2430a_100000106764_100000182618 [0,1,0,0,1,0|1,0,1]=4 8190 B17R2.143 [13CH3]N(Cc1ccccc1)CC2CCCCC2 2230a_100015187057_200025704644 [0,1,0,0,1,0|2,0,0]=4 8191 B17R2.143 [13CH3]N(Cc1ccccc1)CC2CCCCC2 269982a_100015187057_200025704644 [0,1,0,0,1,0|2,0,0]=4 8192 B17R2.143 [13CH3]N(Cc1ccccc1)CC2CCCCC2 34a_100015187057_200025704644 [0,1,0,0,1,0|2,0,0]=4 8193 B17R2.216 Brc1ccc(cc1)C=NNC2CCCCC2 4a_100000709804_100000186029 [0,1,0,0,1,0|1,0,1]=4 8194 B17R2.216 Brc1ccc(cc1)CCNC2C=CCCC2 2230a_100000755846_100000751183 [0,1,0,0,1,0|0,0,2]=4 8195 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011740612 [0,1,0,0,1,0|0,0,0]=2 8196 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 270004a_100000755846_100000210434 [0,1,0,0,1,0|0,0,0]=2 8197 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011740612 [0,1,0,0,1,0|0,0,0]=2 8198 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 34a_100000755846_100000210327 [0,1,0,0,1,0|0,0,0]=2 8199 B17R2.216 Brc1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100011740612 [0,1,0,0,1,0|1,0,0]=3 8200 B17R2.216 Brc1ccc(cc1)CCNC2CCCOC2 270004a_100000755846_100000753404 [0,1,0,0,1,0|1,0,0]=3 8201 B17R2.216 Brc1ccc(cc1)CCNC2CCCOC2 34a_100000719290_100011740612 [0,1,0,0,1,0|1,0,0]=3 8202 B17R2.216 Brc1ccc(cc1)CCNC2CCCOC2 34a_100000755846_100000693364 [0,1,0,0,1,0|1,0,0]=3 8203 B17R2.216 Brc1ccc(cc1)CCNC2CCCSC2 270004a_100000755846_100000057913 [0,1,0,0,1,0|1,0,0]=3 8204 B17R2.216 Brc1ccc(cc1)CCNC2CCNCC2 270004a_100000755846_100015192401 [0,1,0,0,1,0|1,0,0]=3 8205 B17R2.216 Brc1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100011740612 [0,1,0,0,1,0|1,0,0]=3 8206 B17R2.216 Brc1ccc(cc1)CCNC2CCOCC2 270004a_100000755846_100011217826 [0,1,0,0,1,0|1,0,0]=3 8207 B17R2.216 Brc1ccc(cc1)CCNC2CCOCC2 34a_100000741149_100011740612 [0,1,0,0,1,0|1,0,0]=3 8208 B17R2.216 Brc1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100011740612 [0,1,0,0,1,0|1,0,0]=3 8209 B17R2.216 Brc1ccc(cc1)CCNC2CCSCC2 270004a_100000755846_100000203788 [0,1,0,0,1,0|1,0,0]=3 8210 B17R2.216 Brc1ccc(cc1)CCNC2CCSCC2 34a_100000748639_100011740612 [0,1,0,0,1,0|1,0,0]=3 8211 B17R2.216 Brc1ccc(cc1)CCNC2CCSCC2 34a_100000755846_100000069128 [0,1,0,0,1,0|1,0,0]=3 8212 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011740612 [0,1,0,0,1,0|1,0,0]=3 8213 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 34a_100000766406_100000210327 [0,1,0,0,1,0|1,0,0]=3 8214 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011740612 [0,1,0,0,1,0|1,0,0]=3 8215 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 7a_100000766406_100000210327 [0,1,0,0,1,0|1,0,0]=3 8216 B17R2.216 Brc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011740612 [0,1,0,0,1,0|2,0,0]=4 8217 B17R2.216 Brc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011740612 [0,1,0,0,1,0|2,0,0]=4 8218 B17R2.216 Brc1ccc(cc1)CCOC2CCCOC2 34a_100000766406_100000693364 [0,1,0,0,1,0|2,0,0]=4 8219 B17R2.216 Brc1ccc(cc1)CCOC2CCCOC2 7a_100000766406_100000693364 [0,1,0,0,1,0|2,0,0]=4 8220 B17R2.216 Brc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011740612 [0,1,0,0,1,0|2,0,0]=4 8221 B17R2.216 Brc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011740612 [0,1,0,0,1,0|2,0,0]=4 8222 B17R2.216 Brc1ccc(cc1)CCOC2CCOCC2 7a_100000766406_100000686592 [0,1,0,0,1,0|2,0,0]=4 8223 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011740612 [0,1,0,0,1,0|2,0,0]=4 8224 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 34a_100000766406_100000069128 [0,1,0,0,1,0|2,0,0]=4 8225 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011740612 [0,1,0,0,1,0|2,0,0]=4 8226 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 7a_100000766406_100011500858 [0,1,0,0,1,0|2,0,0]=4 8227 B17R2.216 Brc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011740612 [0,1,0,0,1,0|1,0,0]=3 8228 B17R2.216 Brc1ccc(cc1)CCSC2CCCCC2 62a_100011740612_100000210327 [0,1,0,0,1,0|1,0,0]=3 8229 B17R2.216 Brc1ccc(cc1)CCSC2CCCOC2 62a_100011740612_100000693364 [0,1,0,0,1,0|2,0,0]=4 8230 B17R2.216 Brc1ccc(cc1)CCSC2CCOCC2 62a_100011740612_100011324220 [0,1,0,0,1,0|2,0,0]=4 8231 B17R2.216 Brc1ccc(cc1)CCSC2CCSCC2 62a_100011740612_100000069128 [0,1,0,0,1,0|2,0,0]=4 8232 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100000186029 [0,1,0,0,1,0|2,0,0]=4 8233 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 2230a_100000174875_100000211423 [0,1,0,0,1,0|2,0,0]=4 8234 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100011217064 [0,1,0,0,1,0|2,0,0]=4 8235 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 269862a_100000174875_100000211278 [0,1,0,0,1,0|2,0,0]=4 8236 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 270004a_100000210473_100000186029 [0,1,0,0,1,0|2,0,0]=4 8237 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 34a_100000174875_100000211423 [0,1,0,0,1,0|2,0,0]=4 8238 B17R2.216 Brc1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100000189115 [0,1,0,0,1,0|2,0,0]=4 8239 B17R2.216 Brc1ccc(cc1)COCC2CCCCC2 34a_100000212181_100000189115 [0,1,0,0,1,0|2,0,0]=4 8240 B17R2.216 Brc1ccc(cc1)COCC2CCCCC2 34a_100000695286_100000211423 [0,1,0,0,1,0|2,0,0]=4 8241 B17R2.216 Brc1ccc(cc1)COCC2CCCCC2 7a_100000212181_100011217064 [0,1,0,0,1,0|2,0,0]=4 8242 B17R2.216 Brc1ccc(cc1)CSCC2CCCCC2 62a_100000189115_100000211423 [0,1,0,0,1,0|2,0,0]=4 8243 B17R2.216 Brc1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100000189115 [0,1,0,0,1,0|2,0,0]=4 8244 B17R2.216 Brc1ccc(cc1)NCCC2CCCCC2 2230a_100000210018_100012355289 [0,1,0,0,1,0|2,0,0]=4 8245 B17R2.216 Brc1ccc(cc1)NCCC2CCCCC2 34a_100000210018_100011209188 [0,1,0,0,1,0|2,0,0]=4 8246 B17R2.216 Brc1ccc(cc1)NCOC2CCCCC2 2230a_100000210018_100011935260 [0,1,0,0,1,0|2,0,0]=4 8247 B17R2.216 Brc1ccc(cc1)NCOC2CCCCC2 34a_100000210018_100011935260 [0,1,0,0,1,0|2,0,0]=4 8248 B17R2.216 Brc1ccc(cc1)OCCC2CCCCC2 34a_100000185759_100011209188 [0,1,0,0,1,0|2,0,0]=4 8249 B17R2.216 Brc1ccc(cc1)OCCC2CCCCC2 7a_100000185759_100011273959 [0,1,0,0,1,0|2,0,0]=4 8250 B17R2.216 Brc1ccc(cc1)OCOC2CCCCC2 34a_100000185759_100011935260 [0,1,0,0,1,0|2,0,0]=4 8251 B17R2.216 Brc1ccc(cc1)OCOC2CCCCC2 7a_100000185759_100011935260 [0,1,0,0,1,0|2,0,0]=4 8252 B17R2.216 Brc1ccc(cc1)SCCC2CCCCC2 62a_100000752885_100012355289 [0,1,0,0,1,0|2,0,0]=4 8253 B17R2.216 Brc1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000752885 [0,1,0,0,1,0|2,0,0]=4 8254 B17R2.216 Brc1ccc(cc1)SCOC2CCCCC2 62a_100000752885_100011935260 [0,1,0,0,1,0|2,0,0]=4 8255 B17R2.216 Brc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000752885 [0,1,0,0,1,0|2,0,0]=4 8256 B17R2.216 Brc1ccc(nc1)CCOC2CCCCC2 34a_100012357577_100000210327 [0,1,0,0,1,0|2,0,0]=4 8257 B17R2.216 C=C1CCC(CC1)NCCc2ccccc2 270004a_100000106460_100010272673 [0,1,0,0,1,0|0,0,1]=3 8258 B17R2.216 C=C1CCC(CC1)NCCc2ccccn2 270004a_100000211156_100010272673 [0,1,0,0,1,0|1,0,1]=4 8259 B17R2.216 C=C1CCC(CC1)NCCc2cccnc2 270004a_100000736294_100010272673 [0,1,0,0,1,0|1,0,1]=4 8260 B17R2.216 C=C1CCC(CC1)NCCc2ccncc2 270004a_100000742849_100010272673 [0,1,0,0,1,0|1,0,1]=4 8261 B17R2.216 CC1CCC(CC1)CNCc2ccccc2 207a_103436935547_100015611070 [0,1,0,0,1,0|2,0,0]=4 8262 B17R2.216 CC1CCC(CC1)CNCc2ccccc2 2230a_103436935547_100015291786 [0,1,0,0,1,0|2,0,0]=4 8263 B17R2.216 CC1CCC(CC1)CNCc2ccccc2 270004a_103436935547_100015611070 [0,1,0,0,1,0|2,0,0]=4 8264 B17R2.216 CC1CCC(CC1)CNCc2ccccc2 34a_103436935547_100015291786 [0,1,0,0,1,0|2,0,0]=4 8265 B17R2.216 CC1CCC(CC1)COCc2ccccc2 34a_100000701341_100015291786 [0,1,0,0,1,0|2,0,0]=4 8266 B17R2.216 CC1CCC(CC1)NCCc2ccccc2 270004a_100000106460_100000185489 [0,1,0,0,1,0|0,0,0]=2 8267 B17R2.216 CC1CCC(CC1)NCCc2ccccc2 34a_100000106460_200011216234 [0,1,0,0,1,0|0,0,0]=2 8268 B17R2.216 CC1CCC(CC1)NCCc2ccccn2 270004a_100000211156_100000185489 [0,1,0,0,1,0|1,0,0]=3 8269 B17R2.216 CC1CCC(CC1)NCCc2cccnc2 270004a_100000736294_100000185489 [0,1,0,0,1,0|1,0,0]=3 8270 B17R2.216 CC1CCC(CC1)NCCc2ccncc2 270004a_100000742849_100000185489 [0,1,0,0,1,0|1,0,0]=3 8271 B17R2.216 CC1CCC(CC1)NCCc2cnccn2 270004a_100000723456_100000185489 [0,1,0,0,1,0|2,0,0]=4 8272 B17R2.216 CC1CCC(CC1)OCCc2ccccc2 34a_100000210268_200011216234 [0,1,0,0,1,0|1,0,0]=3 8273 B17R2.216 CC1CCC(CC1)OCCc2ccccc2 34a_100000210714_100000765856 [0,1,0,0,1,0|1,0,0]=3 8274 B17R2.216 CC1CCC(CC1)OCCc2ccccc2 7a_100000210714_100000765856 [0,1,0,0,1,0|1,0,0]=3 8275 B17R2.216 CC1CCC(CC1)OCCc2ccccn2 34a_100000210271_200011216234 [0,1,0,0,1,0|2,0,0]=4 8276 B17R2.216 CC1CCC(CC1)OCCc2ccccn2 7a_100000210714_100015183660 [0,1,0,0,1,0|2,0,0]=4 8277 B17R2.216 CC1CCC(CC1)OCCc2cccnc2 34a_100011217484_200011216234 [0,1,0,0,1,0|2,0,0]=4 8278 B17R2.216 CC1CCC(CC1)OCCc2cccnc2 7a_100000210714_200011713674 [0,1,0,0,1,0|2,0,0]=4 8279 B17R2.216 CC1CCC(CC1)OCCc2ccncc2 34a_100011216225_200011216234 [0,1,0,0,1,0|2,0,0]=4 8280 B17R2.216 CC1CCC(CC1)OCCc2ccncc2 7a_100000210714_100000723409 [0,1,0,0,1,0|2,0,0]=4 8281 B17R2.216 CC1CCC(CC1)SCCc2ccccc2 62a_100000765856_200011216234 [0,1,0,0,1,0|1,0,0]=3 8282 B17R2.216 CC1CCC(CC1)SCCc2ccccn2 62a_100015183660_200011216234 [0,1,0,0,1,0|2,0,0]=4 8283 B17R2.216 CC1CCC(CC1)SCCc2cccnc2 62a_200011713674_200011216234 [0,1,0,0,1,0|2,0,0]=4 8284 B17R2.216 CC1CCC(CC1)SCCc2ccncc2 62a_100000723409_200011216234 [0,1,0,0,1,0|2,0,0]=4 8285 B17R2.216 CC1CCC(CC1)SCSc2ccccc2 62a_100011218342_200011216234 [0,1,0,0,1,0|2,0,0]=4 8286 B17R2.216 CC1CCN(CC1)CCCc2ccccc2 2230a_100000188429_100000211621 [0,1,0,0,1,0|2,0,0]=4 8287 B17R2.216 CC1CCN(CC1)CCCc2ccccc2 269982a_100000188429_100000211621 [0,1,0,0,1,0|2,0,0]=4 8288 B17R2.216 CC1CCN(CC1)CCCc2ccccc2 34a_100000188429_100000211621 [0,1,0,0,1,0|2,0,0]=4 8289 B17R2.216 CN1CCC(CC1)CCCc2ccccc2 2230a_100011631421_200000210301 [0,1,0,0,1,0|2,0,0]=4 8290 B17R2.216 CN1CCC(CC1)CCCc2ccccc2 269982a_100011631421_200000210301 [0,1,0,0,1,0|2,0,0]=4 8291 B17R2.216 CN1CCC(CC1)CCCc2ccccc2 34a_100011631421_200000210301 [0,1,0,0,1,0|2,0,0]=4 8292 B17R2.216 CN1CCC(CC1)NCCc2ccccc2 270004a_100000106460_100000210137 [0,1,0,0,1,0|1,0,0]=3 8293 B17R2.216 CN1CCC(CC1)NCCc2ccccn2 270004a_100000211156_100000210137 [0,1,0,0,1,0|2,0,0]=4 8294 B17R2.216 CN1CCC(CC1)NCCc2cccnc2 270004a_100000736294_100000210137 [0,1,0,0,1,0|2,0,0]=4 8295 B17R2.216 CN1CCC(CC1)NCCc2ccncc2 270004a_100000742849_100000210137 [0,1,0,0,1,0|2,0,0]=4 8296 B17R2.216 CN1CCC(CC1)SCCc2ccccc2 62a_100000765856_100011215917 [0,1,0,0,1,0|2,0,0]=4 8297 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2ccccc2 2230a_100020625639_100000765856 [0,1,0,0,1,0|0,0,0]=2 8298 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2ccccc2 34a_100020625639_100000765856 [0,1,0,0,1,0|0,0,0]=2 8299 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2ccccn2 2230a_100020625639_100015183660 [0,1,0,0,1,0|1,0,0]=3 8300 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2cccnc2 2230a_100020625639_200011713674 [0,1,0,0,1,0|1,0,0]=3 8301 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2ccncc2 2230a_100020625639_100000723409 [0,1,0,0,1,0|1,0,0]=3 8302 B17R2.216 C[C@H]1CC[C@@H](CC1)NCSc2ccccc2 2230a_100020625639_100011218342 [0,1,0,0,1,0|1,0,0]=3 8303 B17R2.216 Cc1ccc(cc1)C=NNC2CCCCC2 4a_100000709804_100000211033 [0,1,0,0,1,0|1,0,1]=4 8304 B17R2.216 Cc1ccc(cc1)CCNC2C=CCCC2 2230a_100000705350_100000751183 [0,1,0,0,1,0|0,0,2]=4 8305 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011713686 [0,1,0,0,1,0|0,0,0]=2 8306 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 270004a_100000705350_100000210434 [0,1,0,0,1,0|0,0,0]=2 8307 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011713686 [0,1,0,0,1,0|0,0,0]=2 8308 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 34a_100000705350_100000210327 [0,1,0,0,1,0|0,0,0]=2 8309 B17R2.216 Cc1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100011713686 [0,1,0,0,1,0|1,0,0]=3 8310 B17R2.216 Cc1ccc(cc1)CCNC2CCCOC2 270004a_100000705350_100000753404 [0,1,0,0,1,0|1,0,0]=3 8311 B17R2.216 Cc1ccc(cc1)CCNC2CCCOC2 34a_100000705350_100000693364 [0,1,0,0,1,0|1,0,0]=3 8312 B17R2.216 Cc1ccc(cc1)CCNC2CCCOC2 34a_100000719290_100011713686 [0,1,0,0,1,0|1,0,0]=3 8313 B17R2.216 Cc1ccc(cc1)CCNC2CCCSC2 270004a_100000705350_100000057913 [0,1,0,0,1,0|1,0,0]=3 8314 B17R2.216 Cc1ccc(cc1)CCNC2CCNCC2 270004a_100000705350_100015192401 [0,1,0,0,1,0|1,0,0]=3 8315 B17R2.216 Cc1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100011713686 [0,1,0,0,1,0|1,0,0]=3 8316 B17R2.216 Cc1ccc(cc1)CCNC2CCOCC2 270004a_100000705350_100011217826 [0,1,0,0,1,0|1,0,0]=3 8317 B17R2.216 Cc1ccc(cc1)CCNC2CCOCC2 34a_100000741149_100011713686 [0,1,0,0,1,0|1,0,0]=3 8318 B17R2.216 Cc1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100011713686 [0,1,0,0,1,0|1,0,0]=3 8319 B17R2.216 Cc1ccc(cc1)CCNC2CCSCC2 270004a_100000705350_100000203788 [0,1,0,0,1,0|1,0,0]=3 8320 B17R2.216 Cc1ccc(cc1)CCNC2CCSCC2 34a_100000705350_100000069128 [0,1,0,0,1,0|1,0,0]=3 8321 B17R2.216 Cc1ccc(cc1)CCNC2CCSCC2 34a_100000748639_100011713686 [0,1,0,0,1,0|1,0,0]=3 8322 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011713686 [0,1,0,0,1,0|1,0,0]=3 8323 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 34a_100000756670_100000210327 [0,1,0,0,1,0|1,0,0]=3 8324 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011713686 [0,1,0,0,1,0|1,0,0]=3 8325 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 7a_100000756670_100000210327 [0,1,0,0,1,0|1,0,0]=3 8326 B17R2.216 Cc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011713686 [0,1,0,0,1,0|2,0,0]=4 8327 B17R2.216 Cc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011713686 [0,1,0,0,1,0|2,0,0]=4 8328 B17R2.216 Cc1ccc(cc1)CCOC2CCCOC2 34a_100000756670_100000693364 [0,1,0,0,1,0|2,0,0]=4 8329 B17R2.216 Cc1ccc(cc1)CCOC2CCCOC2 7a_100000756670_100000693364 [0,1,0,0,1,0|2,0,0]=4 8330 B17R2.216 Cc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011713686 [0,1,0,0,1,0|2,0,0]=4 8331 B17R2.216 Cc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011713686 [0,1,0,0,1,0|2,0,0]=4 8332 B17R2.216 Cc1ccc(cc1)CCOC2CCOCC2 7a_100000756670_100000686592 [0,1,0,0,1,0|2,0,0]=4 8333 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011713686 [0,1,0,0,1,0|2,0,0]=4 8334 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 34a_100000756670_100000069128 [0,1,0,0,1,0|2,0,0]=4 8335 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011713686 [0,1,0,0,1,0|2,0,0]=4 8336 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 7a_100000756670_100011500858 [0,1,0,0,1,0|2,0,0]=4 8337 B17R2.216 Cc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011713686 [0,1,0,0,1,0|1,0,0]=3 8338 B17R2.216 Cc1ccc(cc1)CCSC2CCCCC2 62a_100011713686_100000210327 [0,1,0,0,1,0|1,0,0]=3 8339 B17R2.216 Cc1ccc(cc1)CCSC2CCCOC2 62a_100011713686_100000693364 [0,1,0,0,1,0|2,0,0]=4 8340 B17R2.216 Cc1ccc(cc1)CCSC2CCOCC2 62a_100011713686_100011324220 [0,1,0,0,1,0|2,0,0]=4 8341 B17R2.216 Cc1ccc(cc1)CCSC2CCSCC2 62a_100011713686_100000069128 [0,1,0,0,1,0|2,0,0]=4 8342 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100000211033 [0,1,0,0,1,0|2,0,0]=4 8343 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 2230a_100000174908_100000211423 [0,1,0,0,1,0|2,0,0]=4 8344 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100000210814 [0,1,0,0,1,0|2,0,0]=4 8345 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 269862a_100000174908_100000211278 [0,1,0,0,1,0|2,0,0]=4 8346 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 270004a_100000210473_100000211033 [0,1,0,0,1,0|2,0,0]=4 8347 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 34a_100000174908_100000211423 [0,1,0,0,1,0|2,0,0]=4 8348 B17R2.216 Cc1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100000210814 [0,1,0,0,1,0|2,0,0]=4 8349 B17R2.216 Cc1ccc(cc1)COCC2CCCCC2 34a_100000212181_100000210814 [0,1,0,0,1,0|2,0,0]=4 8350 B17R2.216 Cc1ccc(cc1)COCC2CCCCC2 34a_100011215236_100000211423 [0,1,0,0,1,0|2,0,0]=4 8351 B17R2.216 Cc1ccc(cc1)COCC2CCCCC2 7a_100000212181_100000210814 [0,1,0,0,1,0|2,0,0]=4 8352 B17R2.216 Cc1ccc(cc1)COCC2CCCCC2 7a_100011215236_100000211423 [0,1,0,0,1,0|2,0,0]=4 8353 B17R2.216 Cc1ccc(cc1)CSCC2CCCCC2 62a_100000210814_100000211423 [0,1,0,0,1,0|2,0,0]=4 8354 B17R2.216 Cc1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100000210814 [0,1,0,0,1,0|2,0,0]=4 8355 B17R2.216 Cc1ccc(cc1)NCCC2CCCCC2 34a_100000124888_100011209188 [0,1,0,0,1,0|2,0,0]=4 8356 B17R2.216 Cc1ccc(cc1)NCOC2CCCCC2 34a_100000124888_100011935260 [0,1,0,0,1,0|2,0,0]=4 8357 B17R2.216 Cc1ccc(cc1)OCCC2CCCCC2 34a_100000210336_100011209188 [0,1,0,0,1,0|2,0,0]=4 8358 B17R2.216 Cc1ccc(cc1)OCCC2CCCCC2 7a_100000210336_100011273959 [0,1,0,0,1,0|2,0,0]=4 8359 B17R2.216 Cc1ccc(cc1)OCOC2CCCCC2 34a_100000210336_100011935260 [0,1,0,0,1,0|2,0,0]=4 8360 B17R2.216 Cc1ccc(cc1)OCOC2CCCCC2 7a_100000210336_100011935260 [0,1,0,0,1,0|2,0,0]=4 8361 B17R2.216 Cc1ccc(cc1)SCCC2CCCCC2 62a_100000186775_100012355289 [0,1,0,0,1,0|2,0,0]=4 8362 B17R2.216 Cc1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000186775 [0,1,0,0,1,0|2,0,0]=4 8363 B17R2.216 Cc1ccc(cc1)SCOC2CCCCC2 62a_100000186775_100011935260 [0,1,0,0,1,0|2,0,0]=4 8364 B17R2.216 Cc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000186775 [0,1,0,0,1,0|2,0,0]=4 8365 B17R2.216 Cc1ccc(cn1)CCOC2CCCCC2 34a_100011815783_100000210327 [0,1,0,0,1,0|2,0,0]=4 8366 B17R2.216 Clc1ccc(cc1)C=NNC2CCCCC2 4a_100000709804_100000189385 [0,1,0,0,1,0|1,0,1]=4 8367 B17R2.216 Clc1ccc(cc1)CCNC2C=CCCC2 2230a_100000185265_100000751183 [0,1,0,0,1,0|0,0,2]=4 8368 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011713675 [0,1,0,0,1,0|0,0,0]=2 8369 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 270004a_100000185265_100000210434 [0,1,0,0,1,0|0,0,0]=2 8370 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011713675 [0,1,0,0,1,0|0,0,0]=2 8371 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 34a_100000185265_100000210327 [0,1,0,0,1,0|0,0,0]=2 8372 B17R2.216 Clc1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100011713675 [0,1,0,0,1,0|1,0,0]=3 8373 B17R2.216 Clc1ccc(cc1)CCNC2CCCOC2 270004a_100000185265_100000753404 [0,1,0,0,1,0|1,0,0]=3 8374 B17R2.216 Clc1ccc(cc1)CCNC2CCCOC2 34a_100000185265_100000693364 [0,1,0,0,1,0|1,0,0]=3 8375 B17R2.216 Clc1ccc(cc1)CCNC2CCCOC2 34a_100000719290_100011713675 [0,1,0,0,1,0|1,0,0]=3 8376 B17R2.216 Clc1ccc(cc1)CCNC2CCCSC2 270004a_100000185265_100000057913 [0,1,0,0,1,0|1,0,0]=3 8377 B17R2.216 Clc1ccc(cc1)CCNC2CCNCC2 270004a_100000185265_100015192401 [0,1,0,0,1,0|1,0,0]=3 8378 B17R2.216 Clc1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100011713675 [0,1,0,0,1,0|1,0,0]=3 8379 B17R2.216 Clc1ccc(cc1)CCNC2CCOCC2 270004a_100000185265_100011217826 [0,1,0,0,1,0|1,0,0]=3 8380 B17R2.216 Clc1ccc(cc1)CCNC2CCOCC2 34a_100000741149_100011713675 [0,1,0,0,1,0|1,0,0]=3 8381 B17R2.216 Clc1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100011713675 [0,1,0,0,1,0|1,0,0]=3 8382 B17R2.216 Clc1ccc(cc1)CCNC2CCSCC2 270004a_100000185265_100000203788 [0,1,0,0,1,0|1,0,0]=3 8383 B17R2.216 Clc1ccc(cc1)CCNC2CCSCC2 34a_100000185265_100000069128 [0,1,0,0,1,0|1,0,0]=3 8384 B17R2.216 Clc1ccc(cc1)CCNC2CCSCC2 34a_100000748639_100011713675 [0,1,0,0,1,0|1,0,0]=3 8385 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011713675 [0,1,0,0,1,0|1,0,0]=3 8386 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 34a_100011219627_100000210327 [0,1,0,0,1,0|1,0,0]=3 8387 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011713675 [0,1,0,0,1,0|1,0,0]=3 8388 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 7a_100011219627_100000210327 [0,1,0,0,1,0|1,0,0]=3 8389 B17R2.216 Clc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011713675 [0,1,0,0,1,0|2,0,0]=4 8390 B17R2.216 Clc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011713675 [0,1,0,0,1,0|2,0,0]=4 8391 B17R2.216 Clc1ccc(cc1)CCOC2CCCOC2 34a_100011219627_100000693364 [0,1,0,0,1,0|2,0,0]=4 8392 B17R2.216 Clc1ccc(cc1)CCOC2CCCOC2 7a_100011219627_100000693364 [0,1,0,0,1,0|2,0,0]=4 8393 B17R2.216 Clc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011713675 [0,1,0,0,1,0|2,0,0]=4 8394 B17R2.216 Clc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011713675 [0,1,0,0,1,0|2,0,0]=4 8395 B17R2.216 Clc1ccc(cc1)CCOC2CCOCC2 7a_100011219627_100000686592 [0,1,0,0,1,0|2,0,0]=4 8396 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011713675 [0,1,0,0,1,0|2,0,0]=4 8397 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 34a_100011219627_100000069128 [0,1,0,0,1,0|2,0,0]=4 8398 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011713675 [0,1,0,0,1,0|2,0,0]=4 8399 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 7a_100011219627_100011500858 [0,1,0,0,1,0|2,0,0]=4 8400 B17R2.216 Clc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011713675 [0,1,0,0,1,0|1,0,0]=3 8401 B17R2.216 Clc1ccc(cc1)CCSC2CCCCC2 62a_100011713675_100000210327 [0,1,0,0,1,0|1,0,0]=3 8402 B17R2.216 Clc1ccc(cc1)CCSC2CCCOC2 62a_100011713675_100000693364 [0,1,0,0,1,0|2,0,0]=4 8403 B17R2.216 Clc1ccc(cc1)CCSC2CCOCC2 62a_100011713675_100011324220 [0,1,0,0,1,0|2,0,0]=4 8404 B17R2.216 Clc1ccc(cc1)CCSC2CCSCC2 62a_100011713675_100000069128 [0,1,0,0,1,0|2,0,0]=4 8405 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100000189385 [0,1,0,0,1,0|2,0,0]=4 8406 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 2230a_100000174871_100000211423 [0,1,0,0,1,0|2,0,0]=4 8407 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100000694040 [0,1,0,0,1,0|2,0,0]=4 8408 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 269862a_100000174871_100000211278 [0,1,0,0,1,0|2,0,0]=4 8409 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 270004a_100000210473_100000189385 [0,1,0,0,1,0|2,0,0]=4 8410 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 34a_100000174871_100000211423 [0,1,0,0,1,0|2,0,0]=4 8411 B17R2.216 Clc1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100000694040 [0,1,0,0,1,0|2,0,0]=4 8412 B17R2.216 Clc1ccc(cc1)COCC2CCCCC2 34a_100000211118_100000211423 [0,1,0,0,1,0|2,0,0]=4 8413 B17R2.216 Clc1ccc(cc1)COCC2CCCCC2 34a_100000212181_100000694040 [0,1,0,0,1,0|2,0,0]=4 8414 B17R2.216 Clc1ccc(cc1)COCC2CCCCC2 7a_100000211118_100000211423 [0,1,0,0,1,0|2,0,0]=4 8415 B17R2.216 Clc1ccc(cc1)COCC2CCCCC2 7a_100000212181_100000187161 [0,1,0,0,1,0|2,0,0]=4 8416 B17R2.216 Clc1ccc(cc1)CSCC2CCCCC2 62a_100000187161_100000211423 [0,1,0,0,1,0|2,0,0]=4 8417 B17R2.216 Clc1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100000187161 [0,1,0,0,1,0|2,0,0]=4 8418 B17R2.216 Clc1ccc(cc1)NCCC2CCCCC2 2230a_100000210052_100012355289 [0,1,0,0,1,0|2,0,0]=4 8419 B17R2.216 Clc1ccc(cc1)NCCC2CCCCC2 34a_100000210052_100011209188 [0,1,0,0,1,0|2,0,0]=4 8420 B17R2.216 Clc1ccc(cc1)NCOC2CCCCC2 2230a_100000210052_100011935260 [0,1,0,0,1,0|2,0,0]=4 8421 B17R2.216 Clc1ccc(cc1)NCOC2CCCCC2 34a_100000210052_100011935260 [0,1,0,0,1,0|2,0,0]=4 8422 B17R2.216 Clc1ccc(cc1)OCCC2CCCCC2 34a_100000210216_100011209188 [0,1,0,0,1,0|2,0,0]=4 8423 B17R2.216 Clc1ccc(cc1)OCCC2CCCCC2 7a_100000210216_100011273959 [0,1,0,0,1,0|2,0,0]=4 8424 B17R2.216 Clc1ccc(cc1)OCOC2CCCCC2 34a_100000210216_100011935260 [0,1,0,0,1,0|2,0,0]=4 8425 B17R2.216 Clc1ccc(cc1)OCOC2CCCCC2 7a_100000210216_100011935260 [0,1,0,0,1,0|2,0,0]=4 8426 B17R2.216 Clc1ccc(cc1)SCCC2CCCCC2 62a_100000755918_100012355289 [0,1,0,0,1,0|2,0,0]=4 8427 B17R2.216 Clc1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000755918 [0,1,0,0,1,0|2,0,0]=4 8428 B17R2.216 Clc1ccc(cc1)SCOC2CCCCC2 62a_100000755918_100011935260 [0,1,0,0,1,0|2,0,0]=4 8429 B17R2.216 Clc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000755918 [0,1,0,0,1,0|2,0,0]=4 8430 B17R2.216 Clc1ccc(cn1)CCOC2CCCCC2 34a_100009880866_100000210327 [0,1,0,0,1,0|2,0,0]=4 8431 B17R2.216 Clc1ccc(cn1)CCOC2CCCCC2 7a_100009880866_100000210327 [0,1,0,0,1,0|2,0,0]=4 8432 B17R2.216 FC1CCN(CC1)CCCc2ccccc2 2230a_100015193889_100000211621 [0,1,0,0,1,0|2,0,0]=4 8433 B17R2.216 FC1CCN(CC1)CCCc2ccccc2 269982a_100015193889_100000211621 [0,1,0,0,1,0|2,0,0]=4 8434 B17R2.216 FC1CCN(CC1)CCCc2ccccc2 34a_100015193889_100000211621 [0,1,0,0,1,0|2,0,0]=4 8435 B17R2.216 Fc1ccc(cc1)C=NNC2CCCCC2 4a_100000709804_100000210084 [0,1,0,0,1,0|1,0,1]=4 8436 B17R2.216 Fc1ccc(cc1)CCNC2C=CCCC2 2230a_100000199005_100000751183 [0,1,0,0,1,0|0,0,2]=4 8437 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011217392 [0,1,0,0,1,0|0,0,0]=2 8438 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 270004a_100000199005_100000210434 [0,1,0,0,1,0|0,0,0]=2 8439 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011217392 [0,1,0,0,1,0|0,0,0]=2 8440 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 34a_100000199005_100000210327 [0,1,0,0,1,0|0,0,0]=2 8441 B17R2.216 Fc1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100011217392 [0,1,0,0,1,0|1,0,0]=3 8442 B17R2.216 Fc1ccc(cc1)CCNC2CCCOC2 270004a_100000199005_100000753404 [0,1,0,0,1,0|1,0,0]=3 8443 B17R2.216 Fc1ccc(cc1)CCNC2CCCOC2 34a_100000199005_100000693364 [0,1,0,0,1,0|1,0,0]=3 8444 B17R2.216 Fc1ccc(cc1)CCNC2CCCOC2 34a_100000719290_100011217392 [0,1,0,0,1,0|1,0,0]=3 8445 B17R2.216 Fc1ccc(cc1)CCNC2CCCSC2 270004a_100000199005_100000057913 [0,1,0,0,1,0|1,0,0]=3 8446 B17R2.216 Fc1ccc(cc1)CCNC2CCNCC2 270004a_100000199005_100015192401 [0,1,0,0,1,0|1,0,0]=3 8447 B17R2.216 Fc1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100011217392 [0,1,0,0,1,0|1,0,0]=3 8448 B17R2.216 Fc1ccc(cc1)CCNC2CCOCC2 270004a_100000199005_100011217826 [0,1,0,0,1,0|1,0,0]=3 8449 B17R2.216 Fc1ccc(cc1)CCNC2CCOCC2 34a_100000741149_100011217392 [0,1,0,0,1,0|1,0,0]=3 8450 B17R2.216 Fc1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100011217392 [0,1,0,0,1,0|1,0,0]=3 8451 B17R2.216 Fc1ccc(cc1)CCNC2CCSCC2 270004a_100000199005_100000203788 [0,1,0,0,1,0|1,0,0]=3 8452 B17R2.216 Fc1ccc(cc1)CCNC2CCSCC2 34a_100000199005_100000069128 [0,1,0,0,1,0|1,0,0]=3 8453 B17R2.216 Fc1ccc(cc1)CCNC2CCSCC2 34a_100000748639_100011217392 [0,1,0,0,1,0|1,0,0]=3 8454 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011217392 [0,1,0,0,1,0|1,0,0]=3 8455 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 34a_100000754732_100000210327 [0,1,0,0,1,0|1,0,0]=3 8456 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011217392 [0,1,0,0,1,0|1,0,0]=3 8457 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 7a_100000754732_100000210327 [0,1,0,0,1,0|1,0,0]=3 8458 B17R2.216 Fc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011217392 [0,1,0,0,1,0|2,0,0]=4 8459 B17R2.216 Fc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011217392 [0,1,0,0,1,0|2,0,0]=4 8460 B17R2.216 Fc1ccc(cc1)CCOC2CCCOC2 34a_100000754732_100000693364 [0,1,0,0,1,0|2,0,0]=4 8461 B17R2.216 Fc1ccc(cc1)CCOC2CCCOC2 7a_100000754732_100000693364 [0,1,0,0,1,0|2,0,0]=4 8462 B17R2.216 Fc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011217392 [0,1,0,0,1,0|2,0,0]=4 8463 B17R2.216 Fc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011217392 [0,1,0,0,1,0|2,0,0]=4 8464 B17R2.216 Fc1ccc(cc1)CCOC2CCOCC2 7a_100000754732_100000686592 [0,1,0,0,1,0|2,0,0]=4 8465 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011217392 [0,1,0,0,1,0|2,0,0]=4 8466 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 34a_100000754732_100000069128 [0,1,0,0,1,0|2,0,0]=4 8467 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011217392 [0,1,0,0,1,0|2,0,0]=4 8468 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 7a_100000754732_100011500858 [0,1,0,0,1,0|2,0,0]=4 8469 B17R2.216 Fc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011217392 [0,1,0,0,1,0|1,0,0]=3 8470 B17R2.216 Fc1ccc(cc1)CCSC2CCCCC2 62a_100011217392_100000210327 [0,1,0,0,1,0|1,0,0]=3 8471 B17R2.216 Fc1ccc(cc1)CCSC2CCCOC2 62a_100011217392_100000693364 [0,1,0,0,1,0|2,0,0]=4 8472 B17R2.216 Fc1ccc(cc1)CCSC2CCOCC2 62a_100011217392_100011324220 [0,1,0,0,1,0|2,0,0]=4 8473 B17R2.216 Fc1ccc(cc1)CCSC2CCSCC2 62a_100011217392_100000069128 [0,1,0,0,1,0|2,0,0]=4 8474 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100000210084 [0,1,0,0,1,0|2,0,0]=4 8475 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 2230a_100000174882_100000211423 [0,1,0,0,1,0|2,0,0]=4 8476 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100000198546 [0,1,0,0,1,0|2,0,0]=4 8477 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 269862a_100000174882_100000211278 [0,1,0,0,1,0|2,0,0]=4 8478 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 270004a_100000210473_100000210084 [0,1,0,0,1,0|2,0,0]=4 8479 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 34a_100000174882_100000211423 [0,1,0,0,1,0|2,0,0]=4 8480 B17R2.216 Fc1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100000198546 [0,1,0,0,1,0|2,0,0]=4 8481 B17R2.216 Fc1ccc(cc1)COCC2CCCCC2 34a_100000210977_100000211423 [0,1,0,0,1,0|2,0,0]=4 8482 B17R2.216 Fc1ccc(cc1)COCC2CCCCC2 34a_100000212181_100000198546 [0,1,0,0,1,0|2,0,0]=4 8483 B17R2.216 Fc1ccc(cc1)COCC2CCCCC2 7a_100000210977_100000211423 [0,1,0,0,1,0|2,0,0]=4 8484 B17R2.216 Fc1ccc(cc1)COCC2CCCCC2 7a_100000212181_100000198546 [0,1,0,0,1,0|2,0,0]=4 8485 B17R2.216 Fc1ccc(cc1)CSCC2CCCCC2 62a_100000198546_100000211423 [0,1,0,0,1,0|2,0,0]=4 8486 B17R2.216 Fc1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100000187164 [0,1,0,0,1,0|2,0,0]=4 8487 B17R2.216 Fc1ccc(cc1)NCCC2CCCCC2 34a_100000185862_100011209188 [0,1,0,0,1,0|2,0,0]=4 8488 B17R2.216 Fc1ccc(cc1)NCOC2CCCCC2 34a_100000185862_100011935260 [0,1,0,0,1,0|2,0,0]=4 8489 B17R2.216 Fc1ccc(cc1)OCCC2CCCCC2 34a_100000210339_100011209188 [0,1,0,0,1,0|2,0,0]=4 8490 B17R2.216 Fc1ccc(cc1)OCOC2CCCCC2 34a_100000210339_100011935260 [0,1,0,0,1,0|2,0,0]=4 8491 B17R2.216 Fc1ccc(cc1)SCCC2CCCCC2 62a_100000211213_100012355289 [0,1,0,0,1,0|2,0,0]=4 8492 B17R2.216 Fc1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000211213 [0,1,0,0,1,0|2,0,0]=4 8493 B17R2.216 Fc1ccc(cc1)SCOC2CCCCC2 62a_100000211213_100011935260 [0,1,0,0,1,0|2,0,0]=4 8494 B17R2.216 Fc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000211213 [0,1,0,0,1,0|2,0,0]=4 8495 B17R2.216 Ic1ccc(cc1)C=NNC2CCCCC2 4a_100000709804_100000188517 [0,1,0,0,1,0|1,0,1]=4 8496 B17R2.216 Ic1ccc(cc1)CCOC2CCCCC2 34a_100012291149_100000210327 [0,1,0,0,1,0|1,0,0]=3 8497 B17R2.216 Ic1ccc(cc1)CCOC2CCCCC2 7a_100012291149_100000210327 [0,1,0,0,1,0|1,0,0]=3 8498 B17R2.216 Ic1ccc(cc1)CCOC2CCCOC2 34a_100012291149_100000693364 [0,1,0,0,1,0|2,0,0]=4 8499 B17R2.216 Ic1ccc(cc1)CCOC2CCCOC2 7a_100012291149_100000693364 [0,1,0,0,1,0|2,0,0]=4 8500 B17R2.216 Ic1ccc(cc1)CCOC2CCOCC2 7a_100012291149_100000686592 [0,1,0,0,1,0|2,0,0]=4 8501 B17R2.216 Ic1ccc(cc1)CCOC2CCSCC2 34a_100012291149_100000069128 [0,1,0,0,1,0|2,0,0]=4 8502 B17R2.216 Ic1ccc(cc1)CCOC2CCSCC2 7a_100012291149_100011500858 [0,1,0,0,1,0|2,0,0]=4 8503 B17R2.216 Ic1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100000188517 [0,1,0,0,1,0|2,0,0]=4 8504 B17R2.216 Ic1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100000189116 [0,1,0,0,1,0|2,0,0]=4 8505 B17R2.216 Ic1ccc(cc1)CNCC2CCCCC2 2230a_100016989417_100000211423 [0,1,0,0,1,0|2,0,0]=4 8506 B17R2.216 Ic1ccc(cc1)CNCC2CCCCC2 269862a_100016989417_100000211278 [0,1,0,0,1,0|2,0,0]=4 8507 B17R2.216 Ic1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100000189116 [0,1,0,0,1,0|2,0,0]=4 8508 B17R2.216 Ic1ccc(cc1)CNCC2CCCCC2 34a_100016989417_100000211423 [0,1,0,0,1,0|2,0,0]=4 8509 B17R2.216 Ic1ccc(cc1)COCC2CCCCC2 34a_100000212181_100000189116 [0,1,0,0,1,0|2,0,0]=4 8510 B17R2.216 Ic1ccc(cc1)COCC2CCCCC2 34a_100000690907_100000211423 [0,1,0,0,1,0|2,0,0]=4 8511 B17R2.216 Ic1ccc(cc1)COCC2CCCCC2 7a_100000212181_100000189116 [0,1,0,0,1,0|2,0,0]=4 8512 B17R2.216 Ic1ccc(cc1)COCC2CCCCC2 7a_100000690907_100000211423 [0,1,0,0,1,0|2,0,0]=4 8513 B17R2.216 Ic1ccc(cc1)CSCC2CCCCC2 62a_100000189116_100000211423 [0,1,0,0,1,0|2,0,0]=4 8514 B17R2.216 Ic1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100000189116 [0,1,0,0,1,0|2,0,0]=4 8515 B17R2.216 Ic1ccc(cc1)NCCC2CCCCC2 34a_100000185761_100011209188 [0,1,0,0,1,0|2,0,0]=4 8516 B17R2.216 Ic1ccc(cc1)NCOC2CCCCC2 34a_100000185761_100011935260 [0,1,0,0,1,0|2,0,0]=4 8517 B17R2.216 Ic1ccc(cc1)OCCC2CCCCC2 34a_100000212066_100011209188 [0,1,0,0,1,0|2,0,0]=4 8518 B17R2.216 Ic1ccc(cc1)OCCC2CCCCC2 7a_100000212066_100011273959 [0,1,0,0,1,0|2,0,0]=4 8519 B17R2.216 Ic1ccc(cc1)OCOC2CCCCC2 34a_100000212066_100011935260 [0,1,0,0,1,0|2,0,0]=4 8520 B17R2.216 Ic1ccc(cc1)OCOC2CCCCC2 7a_100000212066_100011935260 [0,1,0,0,1,0|2,0,0]=4 8521 B17R2.216 N[C@H]1CC[C@@H](CC1)COCc2ccccc2 34a_100009821084_100015291786 [0,1,0,0,1,0|2,0,0]=4 8522 B17R2.216 N[C@H]1CC[C@H](CC1)OCCc2ccccc2 34a_100020628982_100000765856 [0,1,0,0,1,0|1,0,0]=3 8523 B17R2.216 Nc1ccc(cc1)CCOC2CCCCC2 34a_100011204434_100000210327 [0,1,0,0,1,0|1,0,0]=3 8524 B17R2.216 Nc1ccc(cc1)CCOC2CCCOC2 34a_100011204434_100000693364 [0,1,0,0,1,0|2,0,0]=4 8525 B17R2.216 Nc1ccc(cc1)CCOC2CCSCC2 34a_100011204434_100000069128 [0,1,0,0,1,0|2,0,0]=4 8526 B17R2.216 Nc1ccc(cc1)COCC2CCCCC2 34a_100011215238_100000211423 [0,1,0,0,1,0|2,0,0]=4 8527 B17R2.216 Nc1ccc(cc1)OCCC2CCCCC2 34a_100000185829_100011209188 [0,1,0,0,1,0|2,0,0]=4 8528 B17R2.216 Nc1ccc(cc1)OCOC2CCCCC2 34a_100000185829_100011935260 [0,1,0,0,1,0|2,0,0]=4 8529 B17R2.216 Nc1ccc(cc1)SCCC2CCCCC2 62a_100000185761_100012355289 [0,1,0,0,1,0|2,0,0]=4 8530 B17R2.216 Nc1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000185761 [0,1,0,0,1,0|2,0,0]=4 8531 B17R2.216 Nc1ccc(cc1)SCOC2CCCCC2 62a_100000185761_100011935260 [0,1,0,0,1,0|2,0,0]=4 8532 B17R2.216 Nc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000185761 [0,1,0,0,1,0|2,0,0]=4 8533 B17R2.216 O=C1CCC(CC1)OCCc2ccccc2 34a_100000764474_100000765856 [0,1,0,0,1,0|1,0,1]=4 8534 B17R2.216 O=C1CCC(CC1)OCCc2ccccc2 7a_100000764474_100000765856 [0,1,0,0,1,0|1,0,1]=4 8535 B17R2.216 O=C1CCC(CN1)NCCc2ccccc2 2230a_100000748762_100000765856 [0,1,0,0,1,0|1,0,1]=4 8536 B17R2.216 O=C1CCC(CN1)NCCc2ccccc2 34a_100000748762_100000765856 [0,1,0,0,1,0|1,0,1]=4 8537 B17R2.216 OC1CCC(CC1)NCCc2ccccc2 270004a_100000106460_100000764474 [0,1,0,0,1,0|0,0,0]=2 8538 B17R2.216 OC1CCC(CC1)NCCc2ccccn2 270004a_100000211156_100000764474 [0,1,0,0,1,0|1,0,0]=3 8539 B17R2.216 OC1CCC(CC1)NCCc2cccnc2 270004a_100000736294_100000764474 [0,1,0,0,1,0|1,0,0]=3 8540 B17R2.216 OC1CCC(CC1)NCCc2ccncc2 270004a_100000742849_100000764474 [0,1,0,0,1,0|1,0,0]=3 8541 B17R2.216 OC1CCC(CC1)NCCc2cnccn2 270004a_100000723456_100000764474 [0,1,0,0,1,0|2,0,0]=4 8542 B17R2.216 OC1CCN(CC1)CCCc2ccccc2 2230a_100025773856_100000211621 [0,1,0,0,1,0|2,0,0]=4 8543 B17R2.216 OC1CCN(CC1)CCCc2ccccc2 269982a_100025773856_100000211621 [0,1,0,0,1,0|2,0,0]=4 8544 B17R2.216 Oc1ccc(cc1)C=NNC2CCCCC2 4a_100000709804_100000185832 [0,1,0,0,1,0|1,0,1]=4 8545 B17R2.216 Oc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100009816426 [0,1,0,0,1,0|0,0,0]=2 8546 B17R2.216 Oc1ccc(cc1)CCNC2CCCCC2 270004a_100000743037_100000210434 [0,1,0,0,1,0|0,0,0]=2 8547 B17R2.216 Oc1ccc(cc1)CCNC2CCCCC2 34a_100000743037_100000210327 [0,1,0,0,1,0|0,0,0]=2 8548 B17R2.216 Oc1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100009816426 [0,1,0,0,1,0|1,0,0]=3 8549 B17R2.216 Oc1ccc(cc1)CCNC2CCCOC2 270004a_100000743037_100000753404 [0,1,0,0,1,0|1,0,0]=3 8550 B17R2.216 Oc1ccc(cc1)CCNC2CCCOC2 34a_100000743037_100000693364 [0,1,0,0,1,0|1,0,0]=3 8551 B17R2.216 Oc1ccc(cc1)CCNC2CCCSC2 270004a_100000743037_100000057913 [0,1,0,0,1,0|1,0,0]=3 8552 B17R2.216 Oc1ccc(cc1)CCNC2CCNCC2 270004a_100000743037_100015192401 [0,1,0,0,1,0|1,0,0]=3 8553 B17R2.216 Oc1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100009816426 [0,1,0,0,1,0|1,0,0]=3 8554 B17R2.216 Oc1ccc(cc1)CCNC2CCOCC2 270004a_100000743037_100011217826 [0,1,0,0,1,0|1,0,0]=3 8555 B17R2.216 Oc1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100009816426 [0,1,0,0,1,0|1,0,0]=3 8556 B17R2.216 Oc1ccc(cc1)CCNC2CCSCC2 270004a_100000743037_100000203788 [0,1,0,0,1,0|1,0,0]=3 8557 B17R2.216 Oc1ccc(cc1)CCNC2CCSCC2 34a_100000743037_100000069128 [0,1,0,0,1,0|1,0,0]=3 8558 B17R2.216 Oc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100009816426 [0,1,0,0,1,0|1,0,0]=3 8559 B17R2.216 Oc1ccc(cc1)CCOC2CCCCO2 271570a_203496583355_200010887420 [0,1,0,0,1,0|2,0,0]=4 8560 B17R2.216 Oc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100009816426 [0,1,0,0,1,0|2,0,0]=4 8561 B17R2.216 Oc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100009816426 [0,1,0,0,1,0|2,0,0]=4 8562 B17R2.216 Oc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100009816426 [0,1,0,0,1,0|1,0,0]=3 8563 B17R2.216 Oc1ccc(cc1)CCSC2CCCCC2 62a_100009816426_100000210327 [0,1,0,0,1,0|1,0,0]=3 8564 B17R2.216 Oc1ccc(cc1)CCSC2CCCOC2 62a_100009816426_100000693364 [0,1,0,0,1,0|2,0,0]=4 8565 B17R2.216 Oc1ccc(cc1)CCSC2CCOCC2 62a_100009816426_100011324220 [0,1,0,0,1,0|2,0,0]=4 8566 B17R2.216 Oc1ccc(cc1)CCSC2CCSCC2 62a_100009816426_100000069128 [0,1,0,0,1,0|2,0,0]=4 8567 B17R2.216 Oc1ccc(cc1)CNCC2CCCCC2 34a_100000185549_100000211423 [0,1,0,0,1,0|2,0,0]=4 8568 B17R2.216 Oc1ccc(cc1)NCCC2CCCCC2 34a_100000185829_100011209188 [0,1,0,0,1,0|2,0,0]=4 8569 B17R2.216 Oc1ccc(cc1)NCOC2CCCCC2 34a_100000185829_100011935260 [0,1,0,0,1,0|2,0,0]=4 8570 B17R2.216 Oc1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000185759 [0,1,0,0,1,0|2,0,0]=4 8571 B17R2.216 Oc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000185759 [0,1,0,0,1,0|2,0,0]=4 8572 B17R2.216 [13CH3]N1CCC(CC1)CCCc2ccccc2 2230a_100011631421_200025704644 [0,1,0,0,1,0|2,0,0]=4 8573 B17R2.216 [13CH3]N1CCC(CC1)CCCc2ccccc2 269982a_100011631421_200025704644 [0,1,0,0,1,0|2,0,0]=4 8574 B17R2.216 [13CH3]N1CCC(CC1)CCCc2ccccc2 34a_100011631421_200025704644 [0,1,0,0,1,0|2,0,0]=4 8575 B17R2.2342 CC(=NNC1CCCCC1)c2ccccc2 4a_100000709804_100000185851 [0,1,0,0,1,0|1,0,1]=4 8576 B17R2.2342 CC(CNC1C=CCCC1)c2ccccc2 2230a_100000701038_100000751183 [0,1,0,0,1,0|0,0,2]=4 8577 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 2230a_100000182618_100000756946 [0,1,0,0,1,0|0,0,0]=2 8578 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 270004a_100000182618_100000212034 [0,1,0,0,1,0|0,0,0]=2 8579 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 270004a_100000701038_100000210434 [0,1,0,0,1,0|0,0,0]=2 8580 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 34a_100000182618_100000756946 [0,1,0,0,1,0|0,0,0]=2 8581 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 34a_100000701038_100000210327 [0,1,0,0,1,0|0,0,0]=2 8582 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 2230a_100000719290_100000756946 [0,1,0,0,1,0|1,0,0]=3 8583 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 270004a_100000701038_100000753404 [0,1,0,0,1,0|1,0,0]=3 8584 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 270004a_100000719290_100000212034 [0,1,0,0,1,0|1,0,0]=3 8585 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 34a_100000701038_100000693364 [0,1,0,0,1,0|1,0,0]=3 8586 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 34a_100000719290_100000756946 [0,1,0,0,1,0|1,0,0]=3 8587 B17R2.2342 CC(CNC1CCCSC1)c2ccccc2 270004a_100000701038_100000057913 [0,1,0,0,1,0|1,0,0]=3 8588 B17R2.2342 CC(CNC1CCNCC1)c2ccccc2 270004a_100000701038_100015192401 [0,1,0,0,1,0|1,0,0]=3 8589 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 2230a_100000741149_100000756946 [0,1,0,0,1,0|1,0,0]=3 8590 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 270004a_100000701038_100011217826 [0,1,0,0,1,0|1,0,0]=3 8591 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 270004a_100000741149_100000212034 [0,1,0,0,1,0|1,0,0]=3 8592 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 34a_100000741149_100000756946 [0,1,0,0,1,0|1,0,0]=3 8593 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 2230a_100000748639_100000756946 [0,1,0,0,1,0|1,0,0]=3 8594 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 270004a_100000701038_100000203788 [0,1,0,0,1,0|1,0,0]=3 8595 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 270004a_100000748639_100000212034 [0,1,0,0,1,0|1,0,0]=3 8596 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 34a_100000701038_100000069128 [0,1,0,0,1,0|1,0,0]=3 8597 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 34a_100000748639_100000756946 [0,1,0,0,1,0|1,0,0]=3 8598 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000756946 [0,1,0,0,1,0|1,0,0]=3 8599 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100011215166_100000210327 [0,1,0,0,1,0|1,0,0]=3 8600 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000756946 [0,1,0,0,1,0|1,0,0]=3 8601 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100011215166_100000210327 [0,1,0,0,1,0|1,0,0]=3 8602 B17R2.2342 CC(COC1CCCCO1)c2ccccc2 34a_100000033831_100000756946 [0,1,0,0,1,0|2,0,0]=4 8603 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 34a_100000754041_100000756946 [0,1,0,0,1,0|2,0,0]=4 8604 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 34a_100011215166_100000693364 [0,1,0,0,1,0|2,0,0]=4 8605 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 7a_100011215166_100000693364 [0,1,0,0,1,0|2,0,0]=4 8606 B17R2.2342 CC(COC1CCCSC1)c2ccccc2 7a_100015962668_100000756946 [0,1,0,0,1,0|2,0,0]=4 8607 B17R2.2342 CC(COC1CCOCC1)c2ccccc2 34a_100000744328_100000756946 [0,1,0,0,1,0|2,0,0]=4 8608 B17R2.2342 CC(COC1CCOCC1)c2ccccc2 7a_100011215166_100000686592 [0,1,0,0,1,0|2,0,0]=4 8609 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 34a_100000731022_100000756946 [0,1,0,0,1,0|2,0,0]=4 8610 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 34a_100011215166_100000069128 [0,1,0,0,1,0|2,0,0]=4 8611 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 7a_100000731022_100000756946 [0,1,0,0,1,0|2,0,0]=4 8612 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 7a_100011215166_100011500858 [0,1,0,0,1,0|2,0,0]=4 8613 B17R2.2342 CC(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000756946 [0,1,0,0,1,0|1,0,0]=3 8614 B17R2.2342 CC(CSC1CCCCC1)c2ccccc2 62a_100000756946_100000210327 [0,1,0,0,1,0|1,0,0]=3 8615 B17R2.2342 CC(CSC1CCCOC1)c2ccccc2 62a_100000756946_100000693364 [0,1,0,0,1,0|2,0,0]=4 8616 B17R2.2342 CC(CSC1CCOCC1)c2ccccc2 62a_100000756946_100011324220 [0,1,0,0,1,0|2,0,0]=4 8617 B17R2.2342 CC(CSC1CCSCC1)c2ccccc2 62a_100000756946_100000069128 [0,1,0,0,1,0|2,0,0]=4 8618 B17R2.2342 CC(NCC1CCCCC1)c2ccccc2 2230a_100000210473_100000230085 [0,1,0,0,1,0|2,0,0]=4 8619 B17R2.2342 CC(NCC1CCCCC1)c2ccccc2 269862a_100000210473_100000185851 [0,1,0,0,1,0|2,0,0]=4 8620 B17R2.2342 CC(NCC1CCCCC1)c2ccccc2 34a_100000210473_100000211855 [0,1,0,0,1,0|2,0,0]=4 8621 B17R2.2342 CC(NCc1ccccc1)C2CCCCC2 269862a_100015324214_100000210989 [0,1,0,0,1,0|2,0,0]=4 8622 B17R2.2342 CC(OCC1CCCCC1)c2ccccc2 34a_100000212181_100000211855 [0,1,0,0,1,0|2,0,0]=4 8623 B17R2.2342 CC(OCC1CCCCC1)c2ccccc2 7a_100000212181_100000230085 [0,1,0,0,1,0|2,0,0]=4 8624 B17R2.2342 CC(OCc1ccccc1)C2CCCCC2 34a_100011216961_100015291786 [0,1,0,0,1,0|2,0,0]=4 8625 B17R2.2342 CC(OCc1ccccc1)C2CCCCC2 7a_100011216961_100000211182 [0,1,0,0,1,0|2,0,0]=4 8626 B17R2.2342 CC(SCC1CCCCC1)c2ccccc2 62a_100000211423_100000230085 [0,1,0,0,1,0|2,0,0]=4 8627 B17R2.2342 CC(SCC1CCCCC1)c2ccccc2 62a_100000230085_100000211423 [0,1,0,0,1,0|2,0,0]=4 8628 B17R2.2342 CN(CCC1CCCCC1)c2ccccc2 2230a_100000210012_100012355289 [0,1,0,0,1,0|2,0,0]=4 8629 B17R2.2342 CN(CCC1CCCCC1)c2ccccc2 269982a_100000210012_100011273959 [0,1,0,0,1,0|2,0,0]=4 8630 B17R2.2342 CN(CCC1CCCCC1)c2ccccc2 34a_100000210012_100011209188 [0,1,0,0,1,0|2,0,0]=4 8631 B17R2.2342 CN(CCc1ccccc1)C2C=CCCC2 2230a_100000207497_100000751183 [0,1,0,0,1,0|0,0,2]=4 8632 B17R2.2342 CN(CCc1ccccc1)C2C=CCCC2 269982a_100000207497_100000751183 [0,1,0,0,1,0|0,0,2]=4 8633 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 2230a_100000207522_100000765856 [0,1,0,0,1,0|0,0,0]=2 8634 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 2230a_100015187258_200000210301 [0,1,0,0,1,0|0,0,0]=2 8635 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 269982a_100000207497_100000210327 [0,1,0,0,1,0|0,0,0]=2 8636 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 269982a_100000207522_100000765856 [0,1,0,0,1,0|0,0,0]=2 8637 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 269982a_100015187258_200000210301 [0,1,0,0,1,0|0,0,0]=2 8638 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 270004a_100000207497_100000210434 [0,1,0,0,1,0|0,0,0]=2 8639 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 34a_100000207522_100000765856 [0,1,0,0,1,0|0,0,0]=2 8640 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 34a_100015187258_200000210301 [0,1,0,0,1,0|0,0,0]=2 8641 B17R2.2342 CN(CCc1ccccc1)C2CCCOC2 269982a_100000207497_100000693364 [0,1,0,0,1,0|1,0,0]=3 8642 B17R2.2342 CN(CCc1ccccc1)C2CCCOC2 270004a_100000207497_100000753404 [0,1,0,0,1,0|1,0,0]=3 8643 B17R2.2342 CN(CCc1ccccc1)C2CCCSC2 270004a_100000207497_100000057913 [0,1,0,0,1,0|1,0,0]=3 8644 B17R2.2342 CN(CCc1ccccc1)C2CCNCC2 270004a_100000207497_100015192401 [0,1,0,0,1,0|1,0,0]=3 8645 B17R2.2342 CN(CCc1ccccc1)C2CCOCC2 2230a_100020587155_100000765856 [0,1,0,0,1,0|1,0,0]=3 8646 B17R2.2342 CN(CCc1ccccc1)C2CCOCC2 269982a_100000207497_100011324220 [0,1,0,0,1,0|1,0,0]=3 8647 B17R2.2342 CN(CCc1ccccc1)C2CCOCC2 269982a_100020587155_100000765856 [0,1,0,0,1,0|1,0,0]=3 8648 B17R2.2342 CN(CCc1ccccc1)C2CCOCC2 270004a_100000207497_100011217826 [0,1,0,0,1,0|1,0,0]=3 8649 B17R2.2342 CN(CCc1ccccc1)C2CCOCC2 34a_100020587155_100000765856 [0,1,0,0,1,0|1,0,0]=3 8650 B17R2.2342 CN(CCc1ccccc1)C2CCSCC2 2230a_100015184757_100000765856 [0,1,0,0,1,0|1,0,0]=3 8651 B17R2.2342 CN(CCc1ccccc1)C2CCSCC2 269982a_100000207497_100000069128 [0,1,0,0,1,0|1,0,0]=3 8652 B17R2.2342 CN(CCc1ccccc1)C2CCSCC2 269982a_100015184757_100000765856 [0,1,0,0,1,0|1,0,0]=3 8653 B17R2.2342 CN(CCc1ccccc1)C2CCSCC2 270004a_100000207497_100000203788 [0,1,0,0,1,0|1,0,0]=3 8654 B17R2.2342 CN(CCc1ccccc1)C2CCSCC2 34a_100015184757_100000765856 [0,1,0,0,1,0|1,0,0]=3 8655 B17R2.2342 CN(CCc1ccccn1)C2CCCCC2 2230a_100000207522_100015183660 [0,1,0,0,1,0|1,0,0]=3 8656 B17R2.2342 CN(CCc1ccccn1)C2CCCCC2 269982a_100000207522_100015183660 [0,1,0,0,1,0|1,0,0]=3 8657 B17R2.2342 CN(CCc1ccccn1)C2CCCCC2 269982a_100000737206_100000210327 [0,1,0,0,1,0|1,0,0]=3 8658 B17R2.2342 CN(CCc1ccccn1)C2CCCCC2 270004a_100000737206_100000210434 [0,1,0,0,1,0|1,0,0]=3 8659 B17R2.2342 CN(CCc1ccccn1)C2CCCOC2 269982a_100000737206_100000693364 [0,1,0,0,1,0|2,0,0]=4 8660 B17R2.2342 CN(CCc1ccccn1)C2CCCOC2 270004a_100000737206_100000753404 [0,1,0,0,1,0|2,0,0]=4 8661 B17R2.2342 CN(CCc1ccccn1)C2CCCSC2 270004a_100000737206_100000057913 [0,1,0,0,1,0|2,0,0]=4 8662 B17R2.2342 CN(CCc1ccccn1)C2CCNCC2 270004a_100000737206_100015192401 [0,1,0,0,1,0|2,0,0]=4 8663 B17R2.2342 CN(CCc1ccccn1)C2CCOCC2 2230a_100020587155_100015183660 [0,1,0,0,1,0|2,0,0]=4 8664 B17R2.2342 CN(CCc1ccccn1)C2CCOCC2 269982a_100000737206_100011324220 [0,1,0,0,1,0|2,0,0]=4 8665 B17R2.2342 CN(CCc1ccccn1)C2CCOCC2 269982a_100020587155_100015183660 [0,1,0,0,1,0|2,0,0]=4 8666 B17R2.2342 CN(CCc1ccccn1)C2CCOCC2 270004a_100000737206_100011217826 [0,1,0,0,1,0|2,0,0]=4 8667 B17R2.2342 CN(CCc1ccccn1)C2CCSCC2 2230a_100015184757_100015183660 [0,1,0,0,1,0|2,0,0]=4 8668 B17R2.2342 CN(CCc1ccccn1)C2CCSCC2 269982a_100000737206_100000069128 [0,1,0,0,1,0|2,0,0]=4 8669 B17R2.2342 CN(CCc1ccccn1)C2CCSCC2 269982a_100015184757_100015183660 [0,1,0,0,1,0|2,0,0]=4 8670 B17R2.2342 CN(CCc1ccccn1)C2CCSCC2 270004a_100000737206_100000203788 [0,1,0,0,1,0|2,0,0]=4 8671 B17R2.2342 CN(CCc1cccnc1)C2CCCCC2 2230a_100000207522_200011713674 [0,1,0,0,1,0|1,0,0]=3 8672 B17R2.2342 CN(CCc1cccnc1)C2CCCCC2 269982a_100000207522_200011713674 [0,1,0,0,1,0|1,0,0]=3 8673 B17R2.2342 CN(CCc1cccnc1)C2CCCCC2 269982a_100000763209_100000210327 [0,1,0,0,1,0|1,0,0]=3 8674 B17R2.2342 CN(CCc1cccnc1)C2CCCCC2 270004a_100000763209_100000210434 [0,1,0,0,1,0|1,0,0]=3 8675 B17R2.2342 CN(CCc1cccnc1)C2CCCOC2 269982a_100000763209_100000693364 [0,1,0,0,1,0|2,0,0]=4 8676 B17R2.2342 CN(CCc1cccnc1)C2CCCOC2 270004a_100000763209_100000753404 [0,1,0,0,1,0|2,0,0]=4 8677 B17R2.2342 CN(CCc1cccnc1)C2CCCSC2 270004a_100000763209_100000057913 [0,1,0,0,1,0|2,0,0]=4 8678 B17R2.2342 CN(CCc1cccnc1)C2CCNCC2 270004a_100000763209_100015192401 [0,1,0,0,1,0|2,0,0]=4 8679 B17R2.2342 CN(CCc1cccnc1)C2CCOCC2 2230a_100020587155_200011713674 [0,1,0,0,1,0|2,0,0]=4 8680 B17R2.2342 CN(CCc1cccnc1)C2CCOCC2 269982a_100000763209_100011324220 [0,1,0,0,1,0|2,0,0]=4 8681 B17R2.2342 CN(CCc1cccnc1)C2CCOCC2 269982a_100020587155_200011713674 [0,1,0,0,1,0|2,0,0]=4 8682 B17R2.2342 CN(CCc1cccnc1)C2CCOCC2 270004a_100000763209_100011217826 [0,1,0,0,1,0|2,0,0]=4 8683 B17R2.2342 CN(CCc1cccnc1)C2CCSCC2 2230a_100015184757_200011713674 [0,1,0,0,1,0|2,0,0]=4 8684 B17R2.2342 CN(CCc1cccnc1)C2CCSCC2 269982a_100000763209_100000069128 [0,1,0,0,1,0|2,0,0]=4 8685 B17R2.2342 CN(CCc1cccnc1)C2CCSCC2 269982a_100015184757_200011713674 [0,1,0,0,1,0|2,0,0]=4 8686 B17R2.2342 CN(CCc1cccnc1)C2CCSCC2 270004a_100000763209_100000203788 [0,1,0,0,1,0|2,0,0]=4 8687 B17R2.2342 CN(CCc1ccncc1)C2CCCCC2 2230a_100000207522_100000723409 [0,1,0,0,1,0|1,0,0]=3 8688 B17R2.2342 CN(CCc1ccncc1)C2CCCCC2 269982a_100000207522_100000723409 [0,1,0,0,1,0|1,0,0]=3 8689 B17R2.2342 CN(CCc1ccncc1)C2CCCCC2 269982a_100000742850_100000210327 [0,1,0,0,1,0|1,0,0]=3 8690 B17R2.2342 CN(CCc1ccncc1)C2CCCCC2 270004a_100000742850_100000210434 [0,1,0,0,1,0|1,0,0]=3 8691 B17R2.2342 CN(CCc1ccncc1)C2CCCOC2 269982a_100000742850_100000693364 [0,1,0,0,1,0|2,0,0]=4 8692 B17R2.2342 CN(CCc1ccncc1)C2CCCOC2 270004a_100000742850_100000753404 [0,1,0,0,1,0|2,0,0]=4 8693 B17R2.2342 CN(CCc1ccncc1)C2CCCSC2 270004a_100000742850_100000057913 [0,1,0,0,1,0|2,0,0]=4 8694 B17R2.2342 CN(CCc1ccncc1)C2CCNCC2 270004a_100000742850_100015192401 [0,1,0,0,1,0|2,0,0]=4 8695 B17R2.2342 CN(CCc1ccncc1)C2CCOCC2 2230a_100020587155_100000723409 [0,1,0,0,1,0|2,0,0]=4 8696 B17R2.2342 CN(CCc1ccncc1)C2CCOCC2 269982a_100000742850_100011324220 [0,1,0,0,1,0|2,0,0]=4 8697 B17R2.2342 CN(CCc1ccncc1)C2CCOCC2 269982a_100020587155_100000723409 [0,1,0,0,1,0|2,0,0]=4 8698 B17R2.2342 CN(CCc1ccncc1)C2CCOCC2 270004a_100000742850_100011217826 [0,1,0,0,1,0|2,0,0]=4 8699 B17R2.2342 CN(CCc1ccncc1)C2CCSCC2 2230a_100015184757_100000723409 [0,1,0,0,1,0|2,0,0]=4 8700 B17R2.2342 CN(CCc1ccncc1)C2CCSCC2 269982a_100000742850_100000069128 [0,1,0,0,1,0|2,0,0]=4 8701 B17R2.2342 CN(CCc1ccncc1)C2CCSCC2 269982a_100015184757_100000723409 [0,1,0,0,1,0|2,0,0]=4 8702 B17R2.2342 CN(CCc1ccncc1)C2CCSCC2 270004a_100000742850_100000203788 [0,1,0,0,1,0|2,0,0]=4 8703 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 2230a_100000210012_100011935260 [0,1,0,0,1,0|2,0,0]=4 8704 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 269982a_100000210012_100011935260 [0,1,0,0,1,0|2,0,0]=4 8705 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 34a_100000210012_100011935260 [0,1,0,0,1,0|2,0,0]=4 8706 B17R2.2342 CN(CSc1ccccc1)C2CCCCC2 2230a_100000207522_100011218342 [0,1,0,0,1,0|1,0,0]=3 8707 B17R2.2342 CN(CSc1ccccc1)C2CCCCC2 269982a_100000207522_100011218342 [0,1,0,0,1,0|1,0,0]=3 8708 B17R2.2342 CN(CSc1ccccc1)C2CCOCC2 2230a_100020587155_100011218342 [0,1,0,0,1,0|2,0,0]=4 8709 B17R2.2342 CN(CSc1ccccc1)C2CCOCC2 269982a_100020587155_100011218342 [0,1,0,0,1,0|2,0,0]=4 8710 B17R2.2342 CN(CSc1ccccc1)C2CCSCC2 2230a_100015184757_100011218342 [0,1,0,0,1,0|2,0,0]=4 8711 B17R2.2342 CN(CSc1ccccc1)C2CCSCC2 269982a_100015184757_100011218342 [0,1,0,0,1,0|2,0,0]=4 8712 B17R2.2342 C[C@@H](NCC1CCCCC1)c2ccccc2 2230a_100000751104_100000211423 [0,1,0,0,1,0|2,0,0]=4 8713 B17R2.2342 C[C@@H](NCC1CCCCC1)c2ccccc2 269862a_100000751104_100000211278 [0,1,0,0,1,0|2,0,0]=4 8714 B17R2.2342 C[C@@H](NCc1ccccc1)C2CCCCC2 207a_100025707633_100015611070 [0,1,0,0,1,0|2,0,0]=4 8715 B17R2.2342 C[C@@H](NCc1ccccc1)C2CCCCC2 2230a_100025707633_100015291786 [0,1,0,0,1,0|2,0,0]=4 8716 B17R2.2342 C[C@@H](NCc1ccccc1)C2CCCCC2 270004a_100025707633_100015611070 [0,1,0,0,1,0|2,0,0]=4 8717 B17R2.2342 C[C@@H](NCc1ccccc1)C2CCCCC2 34a_100025707633_100015291786 [0,1,0,0,1,0|2,0,0]=4 8718 B17R2.2342 C[C@@H](OCC1CCCCC1)c2ccccc2 34a_100000761318_100000211423 [0,1,0,0,1,0|2,0,0]=4 8719 B17R2.2342 C[C@@H](OCC1CCCCC1)c2ccccc2 7a_100000761318_100000211423 [0,1,0,0,1,0|2,0,0]=4 8720 B17R2.2342 N[C@H](COC1CCCCC1)c2ccccc2 34a_100000751927_100000210327 [0,1,0,0,1,0|1,0,0]=3 8721 B17R2.2342 N[C@H](COC1CCCCC1)c2ccncc2 34a_100138412524_100000210327 [0,1,0,0,1,0|2,0,0]=4 8722 B17R2.2342 N[C@H](COC1CCCOC1)c2ccccc2 34a_100000751927_100000693364 [0,1,0,0,1,0|2,0,0]=4 8723 B17R2.2342 N[C@H](COC1CCSCC1)c2ccccc2 34a_100000751927_100000069128 [0,1,0,0,1,0|2,0,0]=4 8724 B17R2.2342 O=C(CCC1CCCCC1)c2ccccc2 1458a_100000185807_100011273959 [0,1,0,0,1,0|1,0,1]=4 8725 B17R2.2342 O=C(CCc1ccccc1)C2CCCCC2 1458a_100000185753_100000210327 [0,1,0,0,1,0|1,0,0]=3 8726 B17R2.2342 O=C(CCc1ccccc1)C2CCCCC2 1458a_100000210647_100000765856 [0,1,0,0,1,0|1,0,0]=3 8727 B17R2.2342 O=C(CCc1ccccc1)C2CCCCO2 1458a_100000748299_100000765856 [0,1,0,0,1,0|2,0,0]=4 8728 B17R2.2342 O=C(CCc1ccccc1)C2CCCOC2 1458a_100000185753_100000693364 [0,1,0,0,1,0|2,0,0]=4 8729 B17R2.2342 O=C(CCc1ccccc1)C2CCCOC2 1458a_100000741522_100000765856 [0,1,0,0,1,0|2,0,0]=4 8730 B17R2.2342 O=C(CCc1ccccc1)C2CCOCC2 1458a_100000185753_100011324220 [0,1,0,0,1,0|2,0,0]=4 8731 B17R2.2342 O=C(CCc1ccccc1)C2CCOCC2 1458a_100000195482_100000765856 [0,1,0,0,1,0|2,0,0]=4 8732 B17R2.2342 O=C(CCc1ccccc1)C2CCSCC2 1458a_100000755232_100000765856 [0,1,0,0,1,0|2,0,0]=4 8733 B17R2.2342 O=C(CCc1ccccn1)C2CCCCC2 1458a_100000210647_100015183660 [0,1,0,0,1,0|2,0,0]=4 8734 B17R2.2342 O=C(CCc1ccccn1)C2CCCCC2 1458a_100015195070_100000210327 [0,1,0,0,1,0|2,0,0]=4 8735 B17R2.2342 O=C(CCc1cccnc1)C2CCCCC2 1458a_100000198484_100000210327 [0,1,0,0,1,0|2,0,0]=4 8736 B17R2.2342 O=C(CCc1cccnc1)C2CCCCC2 1458a_100000210647_200011713674 [0,1,0,0,1,0|2,0,0]=4 8737 B17R2.2342 O=C(CCc1ccncc1)C2CCCCC2 1458a_100000210647_100000723409 [0,1,0,0,1,0|2,0,0]=4 8738 B17R2.2342 O=C(CCc1ccncc1)C2CCCCC2 1458a_100011225043_100000210327 [0,1,0,0,1,0|2,0,0]=4 8739 B17R2.2342 O=C(CNC1CCCCC1)c2ccccn2 34a_100000182618_100000027445 [0,1,0,0,1,0|1,0,1]=4 8740 B17R2.2342 O=C(CNc1ccccc1)C2CCCCC2 34a_100000106764_100000241979 [0,1,0,0,1,0|2,0,0]=4 8741 B17R2.2342 O=C(COC1CCCCC1)c2ccccc2 1458a_100000185807_100011935260 [0,1,0,0,1,0|1,0,1]=4 8742 B17R2.2342 O=C(COC1CCCCC1)c2ccccc2 7a_100000210231_100000211460 [0,1,0,0,1,0|1,0,1]=4 8743 B17R2.2342 O=C(COc1ccccc1)C2CCCCC2 1458a_100000186222_100000210327 [0,1,0,0,1,0|2,0,0]=4 8744 B17R2.2342 O=C(COc1ccccc1)C2CCCCC2 34a_100000210340_100000241979 [0,1,0,0,1,0|2,0,0]=4 8745 B17R2.2342 O=C(COc1ccccc1)C2CCCCC2 7a_100000210340_100000241979 [0,1,0,0,1,0|2,0,0]=4 8746 B17R2.2342 O=C(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000211460 [0,1,0,0,1,0|1,0,1]=4 8747 B17R2.2342 O=C(CSC1CCCCC1)c2ccccc2 62a_100000211460_100000210327 [0,1,0,0,1,0|1,0,1]=4 8748 B17R2.2342 O=C(CSc1ccccc1)C2CCCCC2 1458a_100000211596_100000210327 [0,1,0,0,1,0|2,0,0]=4 8749 B17R2.2342 O=C(CSc1ccccc1)C2CCCCC2 62a_100000241979_100000041952 [0,1,0,0,1,0|2,0,0]=4 8750 B17R2.2342 O=C(CSc1ccccc1)C2CCCCC2 62a_100000719477_100000241979 [0,1,0,0,1,0|2,0,0]=4 8751 B17R2.2342 O=C(NCc1ccccc1)C2CCCCC2 11a_100015324214_100000210647 [0,1,0,0,1,0|2,0,0]=4 8752 B17R2.2342 O=C(NCc1ccccc1)C2CCCCC2 1626a_100015324214_100000210647 [0,1,0,0,1,0|2,0,0]=4 8753 B17R2.2342 O=C(NCc1ccccc1)C2CCCCC2 240690a_100015324214_100000210647 [0,1,0,0,1,0|2,0,0]=4 8754 B17R2.2342 O=C(NCc1ccccc1)C2CCCCC2 527a_100015324214_100000210647 [0,1,0,0,1,0|2,0,0]=4 8755 B17R2.2342 O=C(NNC1CCCCC1)c2ccccc2 22a_100000709804_100000185807 [0,1,0,0,1,0|1,0,1]=4 8756 B17R2.2342 O=S(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000031784 [0,1,0,0,1,0|2,0,0]=4 8757 B17R2.2342 OC(CNC1C=CCCC1)c2ccccc2 2230a_100000210709_100000751183 [0,1,0,0,1,0|0,0,2]=4 8758 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 2230a_100000182618_100000185958 [0,1,0,0,1,0|0,0,0]=2 8759 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 270004a_100000210709_100000210434 [0,1,0,0,1,0|0,0,0]=2 8760 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 34a_100000182618_100000185958 [0,1,0,0,1,0|0,0,0]=2 8761 B17R2.2342 OC(CNC1CCCCC1)c2ccccn2 270004a_100000691469_100000210434 [0,1,0,0,1,0|1,0,0]=3 8762 B17R2.2342 OC(CNC1CCCCC1)c2cccnc2 270004a_100020605170_100000210434 [0,1,0,0,1,0|1,0,0]=3 8763 B17R2.2342 OC(CNC1CCCOC1)c2ccccc2 2230a_100000719290_100000185958 [0,1,0,0,1,0|1,0,0]=3 8764 B17R2.2342 OC(CNC1CCCOC1)c2ccccc2 270004a_100000210709_100000753404 [0,1,0,0,1,0|1,0,0]=3 8765 B17R2.2342 OC(CNC1CCCOC1)c2ccccc2 34a_100000719290_100000185958 [0,1,0,0,1,0|1,0,0]=3 8766 B17R2.2342 OC(CNC1CCCOC1)c2ccccn2 270004a_100000691469_100000753404 [0,1,0,0,1,0|2,0,0]=4 8767 B17R2.2342 OC(CNC1CCCOC1)c2cccnc2 270004a_100020605170_100000753404 [0,1,0,0,1,0|2,0,0]=4 8768 B17R2.2342 OC(CNC1CCCSC1)c2ccccc2 270004a_100000210709_100000057913 [0,1,0,0,1,0|1,0,0]=3 8769 B17R2.2342 OC(CNC1CCCSC1)c2ccccn2 270004a_100000691469_100000057913 [0,1,0,0,1,0|2,0,0]=4 8770 B17R2.2342 OC(CNC1CCCSC1)c2cccnc2 270004a_100020605170_100000057913 [0,1,0,0,1,0|2,0,0]=4 8771 B17R2.2342 OC(CNC1CCNCC1)c2ccccc2 270004a_100000210709_100015192401 [0,1,0,0,1,0|1,0,0]=3 8772 B17R2.2342 OC(CNC1CCNCC1)c2ccccn2 270004a_100000691469_100015192401 [0,1,0,0,1,0|2,0,0]=4 8773 B17R2.2342 OC(CNC1CCNCC1)c2cccnc2 270004a_100020605170_100015192401 [0,1,0,0,1,0|2,0,0]=4 8774 B17R2.2342 OC(CNC1CCOCC1)c2ccccc2 2230a_100000741149_100000185958 [0,1,0,0,1,0|1,0,0]=3 8775 B17R2.2342 OC(CNC1CCOCC1)c2ccccc2 270004a_100000210709_100011217826 [0,1,0,0,1,0|1,0,0]=3 8776 B17R2.2342 OC(CNC1CCOCC1)c2ccccc2 34a_100000741149_100000185958 [0,1,0,0,1,0|1,0,0]=3 8777 B17R2.2342 OC(CNC1CCOCC1)c2ccccn2 270004a_100000691469_100011217826 [0,1,0,0,1,0|2,0,0]=4 8778 B17R2.2342 OC(CNC1CCOCC1)c2cccnc2 270004a_100020605170_100011217826 [0,1,0,0,1,0|2,0,0]=4 8779 B17R2.2342 OC(CNC1CCSCC1)c2ccccc2 2230a_100000748639_100000185958 [0,1,0,0,1,0|1,0,0]=3 8780 B17R2.2342 OC(CNC1CCSCC1)c2ccccc2 270004a_100000210709_100000203788 [0,1,0,0,1,0|1,0,0]=3 8781 B17R2.2342 OC(CNC1CCSCC1)c2ccccc2 34a_100000748639_100000185958 [0,1,0,0,1,0|1,0,0]=3 8782 B17R2.2342 OC(CNC1CCSCC1)c2ccccn2 270004a_100000691469_100000203788 [0,1,0,0,1,0|2,0,0]=4 8783 B17R2.2342 OC(CNC1CCSCC1)c2cccnc2 270004a_100020605170_100000203788 [0,1,0,0,1,0|2,0,0]=4 8784 B17R2.2342 OC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000185958 [0,1,0,0,1,0|1,0,0]=3 8785 B17R2.2342 OC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000185958 [0,1,0,0,1,0|1,0,0]=3 8786 B17R2.2342 OC(COC1CCCCO1)c2ccccc2 34a_100000033831_100000185958 [0,1,0,0,1,0|2,0,0]=4 8787 B17R2.2342 OC(COC1CCCOC1)c2ccccc2 34a_100000754041_100000185958 [0,1,0,0,1,0|2,0,0]=4 8788 B17R2.2342 OC(COC1CCCSC1)c2ccccc2 7a_100015962668_100000185958 [0,1,0,0,1,0|2,0,0]=4 8789 B17R2.2342 OC(COC1CCOCC1)c2ccccc2 34a_100000744328_100000185958 [0,1,0,0,1,0|2,0,0]=4 8790 B17R2.2342 OC(COC1CCSCC1)c2ccccc2 34a_100000731022_100000185958 [0,1,0,0,1,0|2,0,0]=4 8791 B17R2.2342 OC(COC1CCSCC1)c2ccccc2 7a_100000731022_100000185958 [0,1,0,0,1,0|2,0,0]=4 8792 B17R2.2342 OC(CSC1CCCCC1)c2ccccc2 62a_100000185958_100000210327 [0,1,0,0,1,0|1,0,0]=3 8793 B17R2.2342 OC(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000185958 [0,1,0,0,1,0|1,0,0]=3 8794 B17R2.2342 OC(CSC1CCCOC1)c2ccccc2 62a_100000185958_100000693364 [0,1,0,0,1,0|2,0,0]=4 8795 B17R2.2342 OC(CSC1CCOCC1)c2ccccc2 62a_100000185958_100011324220 [0,1,0,0,1,0|2,0,0]=4 8796 B17R2.2342 OC(CSC1CCSCC1)c2ccccc2 62a_100000185958_100000069128 [0,1,0,0,1,0|2,0,0]=4 8797 B17R2.2342 O[C@H](CNC1CCCCC1)c2ccccc2 2230a_100000182618_100011933945 [0,1,0,0,1,0|0,0,0]=2 8798 B17R2.2342 O[C@H](CNC1CCCCC1)c2ccccc2 34a_100000182618_100011933945 [0,1,0,0,1,0|0,0,0]=2 8799 B17R2.2342 O[C@H](CNC1CCCOC1)c2ccccc2 2230a_100000719290_100011933945 [0,1,0,0,1,0|1,0,0]=3 8800 B17R2.2342 O[C@H](CNC1CCCOC1)c2ccccc2 34a_100000719290_100011933945 [0,1,0,0,1,0|1,0,0]=3 8801 B17R2.2342 O[C@H](CNC1CCOCC1)c2ccccc2 2230a_100000741149_100011933945 [0,1,0,0,1,0|1,0,0]=3 8802 B17R2.2342 O[C@H](CNC1CCOCC1)c2ccccc2 34a_100000741149_100011933945 [0,1,0,0,1,0|1,0,0]=3 8803 B17R2.2342 O[C@H](CNC1CCSCC1)c2ccccc2 2230a_100000748639_100011933945 [0,1,0,0,1,0|1,0,0]=3 8804 B17R2.2342 O[C@H](CNC1CCSCC1)c2ccccc2 34a_100000748639_100011933945 [0,1,0,0,1,0|1,0,0]=3 8805 B17R2.2342 O[C@H](COC1CCCCC1)c2ccccc2 34a_100000210231_100011933945 [0,1,0,0,1,0|1,0,0]=3 8806 B17R2.2342 O[C@H](COC1CCCCC1)c2ccccc2 7a_100000210231_100011933945 [0,1,0,0,1,0|1,0,0]=3 8807 B17R2.2342 O[C@H](COC1CCCCO1)c2ccccc2 34a_100000033831_100011933945 [0,1,0,0,1,0|2,0,0]=4 8808 B17R2.2342 O[C@H](COC1CCCOC1)c2ccccc2 34a_100000754041_100011933945 [0,1,0,0,1,0|2,0,0]=4 8809 B17R2.2342 O[C@H](COC1CCCSC1)c2ccccc2 7a_100015962668_100011933945 [0,1,0,0,1,0|2,0,0]=4 8810 B17R2.2342 O[C@H](COC1CCOCC1)c2ccccc2 34a_100000744328_100011933945 [0,1,0,0,1,0|2,0,0]=4 8811 B17R2.2342 O[C@H](COC1CCSCC1)c2ccccc2 34a_100000731022_100011933945 [0,1,0,0,1,0|2,0,0]=4 8812 B17R2.2342 O[C@H](COC1CCSCC1)c2ccccc2 7a_100000731022_100011933945 [0,1,0,0,1,0|2,0,0]=4 8813 B17R2.2342 O[C@H](CSC1CCCCC1)c2ccccc2 62a_100000210327_100011933945 [0,1,0,0,1,0|1,0,0]=3 8814 B17R2.2342 O[C@H](CSC1CCCCC1)c2ccccc2 62a_100011933945_100000210327 [0,1,0,0,1,0|1,0,0]=3 8815 B17R2.2342 O[C@H](CSC1CCCOC1)c2ccccc2 62a_100011933945_100000693364 [0,1,0,0,1,0|2,0,0]=4 8816 B17R2.2342 O[C@H](CSC1CCOCC1)c2ccccc2 62a_100011933945_100011324220 [0,1,0,0,1,0|2,0,0]=4 8817 B17R2.2342 O[C@H](CSC1CCSCC1)c2ccccc2 62a_100011933945_100000069128 [0,1,0,0,1,0|2,0,0]=4 8818 B17R2.2342 [13CH3]N(CCc1ccccc1)C2CCCCC2 2230a_100015187258_200025704644 [0,1,0,0,1,0|0,0,0]=2 8819 B17R2.2342 [13CH3]N(CCc1ccccc1)C2CCCCC2 269982a_100015187258_200025704644 [0,1,0,0,1,0|0,0,0]=2 8820 B17R2.2342 [13CH3]N(CCc1ccccc1)C2CCCCC2 34a_100015187258_200025704644 [0,1,0,0,1,0|0,0,0]=2 8821 B17R2.3956 Brc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000211189 [0,1,0,0,1,0|1,0,1]=4 8822 B17R2.3956 Brc1ccccc1CCNC2C=CCCC2 2230a_100000747383_100000751183 [0,1,0,0,1,0|0,0,2]=4 8823 B17R2.3956 Brc1ccccc1CCNC2CCCCC2 2230a_100000182618_100012161201 [0,1,0,0,1,0|0,0,0]=2 8824 B17R2.3956 Brc1ccccc1CCNC2CCCCC2 270004a_100000747383_100000210434 [0,1,0,0,1,0|0,0,0]=2 8825 B17R2.3956 Brc1ccccc1CCNC2CCCCC2 34a_100000182618_100012161201 [0,1,0,0,1,0|0,0,0]=2 8826 B17R2.3956 Brc1ccccc1CCNC2CCCCC2 34a_100000747383_100000210327 [0,1,0,0,1,0|0,0,0]=2 8827 B17R2.3956 Brc1ccccc1CCNC2CCCOC2 2230a_100000719290_100012161201 [0,1,0,0,1,0|1,0,0]=3 8828 B17R2.3956 Brc1ccccc1CCNC2CCCOC2 270004a_100000747383_100000753404 [0,1,0,0,1,0|1,0,0]=3 8829 B17R2.3956 Brc1ccccc1CCNC2CCCOC2 34a_100000719290_100012161201 [0,1,0,0,1,0|1,0,0]=3 8830 B17R2.3956 Brc1ccccc1CCNC2CCCOC2 34a_100000747383_100000693364 [0,1,0,0,1,0|1,0,0]=3 8831 B17R2.3956 Brc1ccccc1CCNC2CCCSC2 270004a_100000747383_100000057913 [0,1,0,0,1,0|1,0,0]=3 8832 B17R2.3956 Brc1ccccc1CCNC2CCNCC2 270004a_100000747383_100015192401 [0,1,0,0,1,0|1,0,0]=3 8833 B17R2.3956 Brc1ccccc1CCNC2CCOCC2 2230a_100000741149_100012161201 [0,1,0,0,1,0|1,0,0]=3 8834 B17R2.3956 Brc1ccccc1CCNC2CCOCC2 270004a_100000747383_100011217826 [0,1,0,0,1,0|1,0,0]=3 8835 B17R2.3956 Brc1ccccc1CCNC2CCOCC2 34a_100000741149_100012161201 [0,1,0,0,1,0|1,0,0]=3 8836 B17R2.3956 Brc1ccccc1CCNC2CCSCC2 2230a_100000748639_100012161201 [0,1,0,0,1,0|1,0,0]=3 8837 B17R2.3956 Brc1ccccc1CCNC2CCSCC2 270004a_100000747383_100000203788 [0,1,0,0,1,0|1,0,0]=3 8838 B17R2.3956 Brc1ccccc1CCNC2CCSCC2 34a_100000747383_100000069128 [0,1,0,0,1,0|1,0,0]=3 8839 B17R2.3956 Brc1ccccc1CCNC2CCSCC2 34a_100000748639_100012161201 [0,1,0,0,1,0|1,0,0]=3 8840 B17R2.3956 Brc1ccccc1CCOC2CCCCC2 34a_100000210231_100012161201 [0,1,0,0,1,0|1,0,0]=3 8841 B17R2.3956 Brc1ccccc1CCOC2CCCCC2 34a_100000731337_100000210327 [0,1,0,0,1,0|1,0,0]=3 8842 B17R2.3956 Brc1ccccc1CCOC2CCCCC2 7a_100000210231_100012161201 [0,1,0,0,1,0|1,0,0]=3 8843 B17R2.3956 Brc1ccccc1CCOC2CCCCC2 7a_100000731337_100000210327 [0,1,0,0,1,0|1,0,0]=3 8844 B17R2.3956 Brc1ccccc1CCOC2CCCCO2 34a_100000033831_100012161201 [0,1,0,0,1,0|2,0,0]=4 8845 B17R2.3956 Brc1ccccc1CCOC2CCCOC2 34a_100000731337_100000693364 [0,1,0,0,1,0|2,0,0]=4 8846 B17R2.3956 Brc1ccccc1CCOC2CCCOC2 34a_100000754041_100012161201 [0,1,0,0,1,0|2,0,0]=4 8847 B17R2.3956 Brc1ccccc1CCOC2CCCOC2 7a_100000731337_100000693364 [0,1,0,0,1,0|2,0,0]=4 8848 B17R2.3956 Brc1ccccc1CCOC2CCCSC2 7a_100015962668_100012161201 [0,1,0,0,1,0|2,0,0]=4 8849 B17R2.3956 Brc1ccccc1CCOC2CCOCC2 34a_100000744328_100012161201 [0,1,0,0,1,0|2,0,0]=4 8850 B17R2.3956 Brc1ccccc1CCOC2CCOCC2 7a_100000731337_100000686592 [0,1,0,0,1,0|2,0,0]=4 8851 B17R2.3956 Brc1ccccc1CCOC2CCSCC2 34a_100000731022_100012161201 [0,1,0,0,1,0|2,0,0]=4 8852 B17R2.3956 Brc1ccccc1CCOC2CCSCC2 34a_100000731337_100000069128 [0,1,0,0,1,0|2,0,0]=4 8853 B17R2.3956 Brc1ccccc1CCOC2CCSCC2 7a_100000731022_100012161201 [0,1,0,0,1,0|2,0,0]=4 8854 B17R2.3956 Brc1ccccc1CCOC2CCSCC2 7a_100000731337_100011500858 [0,1,0,0,1,0|2,0,0]=4 8855 B17R2.3956 Brc1ccccc1CCSC2CCCCC2 62a_100000210327_100012161201 [0,1,0,0,1,0|1,0,0]=3 8856 B17R2.3956 Brc1ccccc1CCSC2CCCCC2 62a_100012161201_100000210327 [0,1,0,0,1,0|1,0,0]=3 8857 B17R2.3956 Brc1ccccc1CCSC2CCCOC2 62a_100012161201_100000693364 [0,1,0,0,1,0|2,0,0]=4 8858 B17R2.3956 Brc1ccccc1CCSC2CCOCC2 62a_100012161201_100011324220 [0,1,0,0,1,0|2,0,0]=4 8859 B17R2.3956 Brc1ccccc1CCSC2CCSCC2 62a_100012161201_100000069128 [0,1,0,0,1,0|2,0,0]=4 8860 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 207a_100000210473_100000211189 [0,1,0,0,1,0|2,0,0]=4 8861 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 2230a_100000210473_100000184730 [0,1,0,0,1,0|2,0,0]=4 8862 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 2230a_100000689332_100000211423 [0,1,0,0,1,0|2,0,0]=4 8863 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 269862a_100000689332_100000211278 [0,1,0,0,1,0|2,0,0]=4 8864 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 270004a_100000210473_100000211189 [0,1,0,0,1,0|2,0,0]=4 8865 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 34a_100000210473_100000184730 [0,1,0,0,1,0|2,0,0]=4 8866 B17R2.3956 Brc1ccccc1CNCC2CCCCC2 34a_100000689332_100000211423 [0,1,0,0,1,0|2,0,0]=4 8867 B17R2.3956 Brc1ccccc1COCC2CCCCC2 34a_100000212181_100000184730 [0,1,0,0,1,0|2,0,0]=4 8868 B17R2.3956 Brc1ccccc1COCC2CCCCC2 34a_100000756307_100000211423 [0,1,0,0,1,0|2,0,0]=4 8869 B17R2.3956 Brc1ccccc1COCC2CCCCC2 7a_100000212181_100000184730 [0,1,0,0,1,0|2,0,0]=4 8870 B17R2.3956 Brc1ccccc1COCC2CCCCC2 7a_100000756307_100000211423 [0,1,0,0,1,0|2,0,0]=4 8871 B17R2.3956 Brc1ccccc1CSCC2CCCCC2 62a_100000184730_100000211423 [0,1,0,0,1,0|2,0,0]=4 8872 B17R2.3956 Brc1ccccc1CSCC2CCCCC2 62a_100000211423_100000184730 [0,1,0,0,1,0|2,0,0]=4 8873 B17R2.3956 Brc1ccccc1NCCC2CCCCC2 34a_100000210017_100011209188 [0,1,0,0,1,0|2,0,0]=4 8874 B17R2.3956 Brc1ccccc1NCOC2CCCCC2 34a_100000210017_100011935260 [0,1,0,0,1,0|2,0,0]=4 8875 B17R2.3956 Brc1ccccc1OCCC2CCCCC2 34a_100000181306_100011209188 [0,1,0,0,1,0|2,0,0]=4 8876 B17R2.3956 Brc1ccccc1OCCC2CCCCC2 7a_100000181306_100011273959 [0,1,0,0,1,0|2,0,0]=4 8877 B17R2.3956 Brc1ccccc1OCOC2CCCCC2 34a_100000181306_100011935260 [0,1,0,0,1,0|2,0,0]=4 8878 B17R2.3956 Brc1ccccc1OCOC2CCCCC2 7a_100000181306_100011935260 [0,1,0,0,1,0|2,0,0]=4 8879 B17R2.3956 Brc1ccccc1SCCC2CCCCC2 62a_100000695589_100012355289 [0,1,0,0,1,0|2,0,0]=4 8880 B17R2.3956 Brc1ccccc1SCCC2CCCCC2 62a_100012355289_100000695589 [0,1,0,0,1,0|2,0,0]=4 8881 B17R2.3956 Brc1ccccc1SCOC2CCCCC2 62a_100000695589_100011935260 [0,1,0,0,1,0|2,0,0]=4 8882 B17R2.3956 Brc1ccccc1SCOC2CCCCC2 62a_100011935260_100000695589 [0,1,0,0,1,0|2,0,0]=4 8883 B17R2.3956 CC1CCCCC1NCCc2ccccc2 2230a_100000211402_100000765856 [0,1,0,0,1,0|0,0,0]=2 8884 B17R2.3956 CC1CCCCC1NCCc2ccccc2 269862a_100000106460_100000210921 [0,1,0,0,1,0|0,0,0]=2 8885 B17R2.3956 CC1CCCCC1NCCc2ccccc2 270004a_100000106460_100000210921 [0,1,0,0,1,0|0,0,0]=2 8886 B17R2.3956 CC1CCCCC1NCCc2ccccc2 34a_100000211402_100000765856 [0,1,0,0,1,0|0,0,0]=2 8887 B17R2.3956 CC1CCCCC1NCCc2ccccn2 2230a_100000211402_100015183660 [0,1,0,0,1,0|1,0,0]=3 8888 B17R2.3956 CC1CCCCC1NCCc2ccccn2 269862a_100000211156_100000210921 [0,1,0,0,1,0|1,0,0]=3 8889 B17R2.3956 CC1CCCCC1NCCc2ccccn2 270004a_100000211156_100000210921 [0,1,0,0,1,0|1,0,0]=3 8890 B17R2.3956 CC1CCCCC1NCCc2cccnc2 2230a_100000211402_200011713674 [0,1,0,0,1,0|1,0,0]=3 8891 B17R2.3956 CC1CCCCC1NCCc2cccnc2 269862a_100000736294_100000210921 [0,1,0,0,1,0|1,0,0]=3 8892 B17R2.3956 CC1CCCCC1NCCc2cccnc2 270004a_100000736294_100000210921 [0,1,0,0,1,0|1,0,0]=3 8893 B17R2.3956 CC1CCCCC1NCCc2ccncc2 2230a_100000211402_100000723409 [0,1,0,0,1,0|1,0,0]=3 8894 B17R2.3956 CC1CCCCC1NCCc2ccncc2 269862a_100000742849_100000210921 [0,1,0,0,1,0|1,0,0]=3 8895 B17R2.3956 CC1CCCCC1NCCc2ccncc2 270004a_100000742849_100000210921 [0,1,0,0,1,0|1,0,0]=3 8896 B17R2.3956 CC1CCCCC1NCCc2cnccn2 269862a_100000723456_100000210921 [0,1,0,0,1,0|2,0,0]=4 8897 B17R2.3956 CC1CCCCC1NCCc2cnccn2 270004a_100000723456_100000210921 [0,1,0,0,1,0|2,0,0]=4 8898 B17R2.3956 CC1CCCCC1NCSc2ccccc2 2230a_100000211402_100011218342 [0,1,0,0,1,0|1,0,0]=3 8899 B17R2.3956 CC1CCCCC1OCCc2ccccc2 34a_100000211207_100000765856 [0,1,0,0,1,0|1,0,0]=3 8900 B17R2.3956 CC1CCCCC1OCCc2ccccc2 7a_100000211207_100000765856 [0,1,0,0,1,0|1,0,0]=3 8901 B17R2.3956 CC1CCCCC1OCCc2ccccn2 7a_100000211207_100015183660 [0,1,0,0,1,0|2,0,0]=4 8902 B17R2.3956 CC1CCCCC1OCCc2cccnc2 7a_100000211207_200011713674 [0,1,0,0,1,0|2,0,0]=4 8903 B17R2.3956 CC1CCCCC1OCCc2ccncc2 7a_100000211207_100000723409 [0,1,0,0,1,0|2,0,0]=4 8904 B17R2.3956 CC1CCCCN1CCCc2ccccc2 2230a_100000211376_100000211621 [0,1,0,0,1,0|2,0,0]=4 8905 B17R2.3956 CC1CCCCN1CCCc2ccccc2 269982a_100000211376_100000211621 [0,1,0,0,1,0|2,0,0]=4 8906 B17R2.3956 CC1CCCCN1CCCc2ccccc2 34a_100000211376_100000211621 [0,1,0,0,1,0|2,0,0]=4 8907 B17R2.3956 CC1CCNCC1OCCc2ccccc2 34a_100000696640_100000765856 [0,1,0,0,1,0|2,0,0]=4 8908 B17R2.3956 CC1CNCCC1NCCc2ccccc2 270004a_100000106460_100000703950 [0,1,0,0,1,0|1,0,0]=3 8909 B17R2.3956 CC1CNCCC1NCCc2ccccn2 270004a_100000211156_100000703950 [0,1,0,0,1,0|2,0,0]=4 8910 B17R2.3956 CC1CNCCC1NCCc2cccnc2 270004a_100000736294_100000703950 [0,1,0,0,1,0|2,0,0]=4 8911 B17R2.3956 CC1CNCCC1NCCc2ccncc2 270004a_100000742849_100000703950 [0,1,0,0,1,0|2,0,0]=4 8912 B17R2.3956 CC1CNCCC1OCCc2ccccc2 34a_100011998114_100000765856 [0,1,0,0,1,0|2,0,0]=4 8913 B17R2.3956 CC1COCCC1NCCc2ccccc2 270004a_100000106460_100000755695 [0,1,0,0,1,0|1,0,0]=3 8914 B17R2.3956 CC1COCCC1NCCc2ccccn2 270004a_100000211156_100000755695 [0,1,0,0,1,0|2,0,0]=4 8915 B17R2.3956 CC1COCCC1NCCc2cccnc2 270004a_100000736294_100000755695 [0,1,0,0,1,0|2,0,0]=4 8916 B17R2.3956 CC1COCCC1NCCc2ccncc2 270004a_100000742849_100000755695 [0,1,0,0,1,0|2,0,0]=4 8917 B17R2.3956 Cc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000211143 [0,1,0,0,1,0|1,0,1]=4 8918 B17R2.3956 Cc1ccccc1CCNC2C=CCCC2 2230a_100000685071_100000751183 [0,1,0,0,1,0|0,0,2]=4 8919 B17R2.3956 Cc1ccccc1CCNC2CCCCC2 2230a_100000182618_100011713688 [0,1,0,0,1,0|0,0,0]=2 8920 B17R2.3956 Cc1ccccc1CCNC2CCCCC2 270004a_100000685071_100000210434 [0,1,0,0,1,0|0,0,0]=2 8921 B17R2.3956 Cc1ccccc1CCNC2CCCCC2 34a_100000182618_100011713688 [0,1,0,0,1,0|0,0,0]=2 8922 B17R2.3956 Cc1ccccc1CCNC2CCCCC2 34a_100000685071_100000210327 [0,1,0,0,1,0|0,0,0]=2 8923 B17R2.3956 Cc1ccccc1CCNC2CCCOC2 2230a_100000719290_100011713688 [0,1,0,0,1,0|1,0,0]=3 8924 B17R2.3956 Cc1ccccc1CCNC2CCCOC2 270004a_100000685071_100000753404 [0,1,0,0,1,0|1,0,0]=3 8925 B17R2.3956 Cc1ccccc1CCNC2CCCOC2 34a_100000685071_100000693364 [0,1,0,0,1,0|1,0,0]=3 8926 B17R2.3956 Cc1ccccc1CCNC2CCCOC2 34a_100000719290_100011713688 [0,1,0,0,1,0|1,0,0]=3 8927 B17R2.3956 Cc1ccccc1CCNC2CCCSC2 270004a_100000685071_100000057913 [0,1,0,0,1,0|1,0,0]=3 8928 B17R2.3956 Cc1ccccc1CCNC2CCNCC2 270004a_100000685071_100015192401 [0,1,0,0,1,0|1,0,0]=3 8929 B17R2.3956 Cc1ccccc1CCNC2CCOCC2 2230a_100000741149_100011713688 [0,1,0,0,1,0|1,0,0]=3 8930 B17R2.3956 Cc1ccccc1CCNC2CCOCC2 270004a_100000685071_100011217826 [0,1,0,0,1,0|1,0,0]=3 8931 B17R2.3956 Cc1ccccc1CCNC2CCOCC2 34a_100000741149_100011713688 [0,1,0,0,1,0|1,0,0]=3 8932 B17R2.3956 Cc1ccccc1CCNC2CCSCC2 2230a_100000748639_100011713688 [0,1,0,0,1,0|1,0,0]=3 8933 B17R2.3956 Cc1ccccc1CCNC2CCSCC2 270004a_100000685071_100000203788 [0,1,0,0,1,0|1,0,0]=3 8934 B17R2.3956 Cc1ccccc1CCNC2CCSCC2 34a_100000685071_100000069128 [0,1,0,0,1,0|1,0,0]=3 8935 B17R2.3956 Cc1ccccc1CCNC2CCSCC2 34a_100000748639_100011713688 [0,1,0,0,1,0|1,0,0]=3 8936 B17R2.3956 Cc1ccccc1CCOC2CCCCC2 34a_100000210231_100011713688 [0,1,0,0,1,0|1,0,0]=3 8937 B17R2.3956 Cc1ccccc1CCOC2CCCCC2 34a_100011220023_100000210327 [0,1,0,0,1,0|1,0,0]=3 8938 B17R2.3956 Cc1ccccc1CCOC2CCCCC2 7a_100000210231_100011713688 [0,1,0,0,1,0|1,0,0]=3 8939 B17R2.3956 Cc1ccccc1CCOC2CCCCC2 7a_100011220023_100000210327 [0,1,0,0,1,0|1,0,0]=3 8940 B17R2.3956 Cc1ccccc1CCOC2CCCCO2 34a_100000033831_100011713688 [0,1,0,0,1,0|2,0,0]=4 8941 B17R2.3956 Cc1ccccc1CCOC2CCCOC2 34a_100000754041_100011713688 [0,1,0,0,1,0|2,0,0]=4 8942 B17R2.3956 Cc1ccccc1CCOC2CCCOC2 34a_100011220023_100000693364 [0,1,0,0,1,0|2,0,0]=4 8943 B17R2.3956 Cc1ccccc1CCOC2CCCOC2 7a_100011220023_100000693364 [0,1,0,0,1,0|2,0,0]=4 8944 B17R2.3956 Cc1ccccc1CCOC2CCCSC2 7a_100015962668_100011713688 [0,1,0,0,1,0|2,0,0]=4 8945 B17R2.3956 Cc1ccccc1CCOC2CCOCC2 34a_100000744328_100011713688 [0,1,0,0,1,0|2,0,0]=4 8946 B17R2.3956 Cc1ccccc1CCOC2CCOCC2 7a_100011220023_100000686592 [0,1,0,0,1,0|2,0,0]=4 8947 B17R2.3956 Cc1ccccc1CCOC2CCSCC2 34a_100000731022_100011713688 [0,1,0,0,1,0|2,0,0]=4 8948 B17R2.3956 Cc1ccccc1CCOC2CCSCC2 34a_100011220023_100000069128 [0,1,0,0,1,0|2,0,0]=4 8949 B17R2.3956 Cc1ccccc1CCOC2CCSCC2 7a_100000731022_100011713688 [0,1,0,0,1,0|2,0,0]=4 8950 B17R2.3956 Cc1ccccc1CCOC2CCSCC2 7a_100011220023_100011500858 [0,1,0,0,1,0|2,0,0]=4 8951 B17R2.3956 Cc1ccccc1CCSC2CCCCC2 62a_100000210327_100011713688 [0,1,0,0,1,0|1,0,0]=3 8952 B17R2.3956 Cc1ccccc1CCSC2CCCCC2 62a_100011713688_100000210327 [0,1,0,0,1,0|1,0,0]=3 8953 B17R2.3956 Cc1ccccc1CCSC2CCCOC2 62a_100011713688_100000693364 [0,1,0,0,1,0|2,0,0]=4 8954 B17R2.3956 Cc1ccccc1CCSC2CCOCC2 62a_100011713688_100011324220 [0,1,0,0,1,0|2,0,0]=4 8955 B17R2.3956 Cc1ccccc1CCSC2CCSCC2 62a_100011713688_100000069128 [0,1,0,0,1,0|2,0,0]=4 8956 B17R2.3956 Cc1ccccc1CNCC2CCCCC2 207a_100000210473_100000211143 [0,1,0,0,1,0|2,0,0]=4 8957 B17R2.3956 Cc1ccccc1CNCC2CCCCC2 2230a_100000210473_100000211839 [0,1,0,0,1,0|2,0,0]=4 8958 B17R2.3956 Cc1ccccc1CNCC2CCCCC2 269862a_100000174972_100000211278 [0,1,0,0,1,0|2,0,0]=4 8959 B17R2.3956 Cc1ccccc1CNCC2CCCCC2 270004a_100000210473_100000211143 [0,1,0,0,1,0|2,0,0]=4 8960 B17R2.3956 Cc1ccccc1CNCC2CCCCC2 34a_100000174972_100000211423 [0,1,0,0,1,0|2,0,0]=4 8961 B17R2.3956 Cc1ccccc1CNCC2CCCCC2 34a_100000210473_100000211839 [0,1,0,0,1,0|2,0,0]=4 8962 B17R2.3956 Cc1ccccc1COCC2CCCCC2 34a_100000212181_100000211839 [0,1,0,0,1,0|2,0,0]=4 8963 B17R2.3956 Cc1ccccc1COCC2CCCCC2 34a_100000698903_100000211423 [0,1,0,0,1,0|2,0,0]=4 8964 B17R2.3956 Cc1ccccc1COCC2CCCCC2 7a_100000212181_100000211839 [0,1,0,0,1,0|2,0,0]=4 8965 B17R2.3956 Cc1ccccc1COCC2CCCCC2 7a_100000698903_100000211423 [0,1,0,0,1,0|2,0,0]=4 8966 B17R2.3956 Cc1ccccc1CSCC2CCCCC2 62a_100000211423_100000211839 [0,1,0,0,1,0|2,0,0]=4 8967 B17R2.3956 Cc1ccccc1CSCC2CCCCC2 62a_100000211839_100000211423 [0,1,0,0,1,0|2,0,0]=4 8968 B17R2.3956 Cc1ccccc1NCCC2CCCCC2 34a_100015192222_100011209188 [0,1,0,0,1,0|2,0,0]=4 8969 B17R2.3956 Cc1ccccc1NCOC2CCCCC2 34a_100015192222_100011935260 [0,1,0,0,1,0|2,0,0]=4 8970 B17R2.3956 Cc1ccccc1OCCC2CCCCC2 34a_100000210338_100011209188 [0,1,0,0,1,0|2,0,0]=4 8971 B17R2.3956 Cc1ccccc1OCCC2CCCCC2 7a_100000210338_100011273959 [0,1,0,0,1,0|2,0,0]=4 8972 B17R2.3956 Cc1ccccc1OCOC2CCCCC2 34a_100000210338_100011935260 [0,1,0,0,1,0|2,0,0]=4 8973 B17R2.3956 Cc1ccccc1OCOC2CCCCC2 7a_100000210338_100011935260 [0,1,0,0,1,0|2,0,0]=4 8974 B17R2.3956 Cc1ccccc1SCCC2CCCCC2 62a_100000210755_100012355289 [0,1,0,0,1,0|2,0,0]=4 8975 B17R2.3956 Cc1ccccc1SCCC2CCCCC2 62a_100012355289_100000210755 [0,1,0,0,1,0|2,0,0]=4 8976 B17R2.3956 Cc1ccccc1SCOC2CCCCC2 62a_100000210755_100011935260 [0,1,0,0,1,0|2,0,0]=4 8977 B17R2.3956 Cc1ccccc1SCOC2CCCCC2 62a_100011935260_100000210755 [0,1,0,0,1,0|2,0,0]=4 8978 B17R2.3956 Cc1cccnc1CCOC2CCCCC2 34a_100011997706_100000210327 [0,1,0,0,1,0|2,0,0]=4 8979 B17R2.3956 Cc1cccnc1CCOC2CCCCC2 7a_100011997706_100000210327 [0,1,0,0,1,0|2,0,0]=4 8980 B17R2.3956 ClC1CCCCC1OCCc2ccccc2 34a_100000038908_100000765856 [0,1,0,0,1,0|1,0,0]=3 8981 B17R2.3956 ClC1CCCCC1OCCc2ccccc2 7a_100000038908_100000765856 [0,1,0,0,1,0|1,0,0]=3 8982 B17R2.3956 ClC1CCCCC1OCCc2ccccn2 7a_100000038908_100015183660 [0,1,0,0,1,0|2,0,0]=4 8983 B17R2.3956 ClC1CCCCC1OCCc2cccnc2 7a_100000038908_200011713674 [0,1,0,0,1,0|2,0,0]=4 8984 B17R2.3956 ClC1CCCCC1OCCc2ccncc2 7a_100000038908_100000723409 [0,1,0,0,1,0|2,0,0]=4 8985 B17R2.3956 Clc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000210073 [0,1,0,0,1,0|1,0,1]=4 8986 B17R2.3956 Clc1ccccc1CCNC2C=CCCC2 2230a_100011207228_100000751183 [0,1,0,0,1,0|0,0,2]=4 8987 B17R2.3956 Clc1ccccc1CCNC2CCCCC2 2230a_100000182618_100011713703 [0,1,0,0,1,0|0,0,0]=2 8988 B17R2.3956 Clc1ccccc1CCNC2CCCCC2 270004a_100000182618_200011713468 [0,1,0,0,1,0|0,0,0]=2 8989 B17R2.3956 Clc1ccccc1CCNC2CCCCC2 270004a_100011207228_100000210434 [0,1,0,0,1,0|0,0,0]=2 8990 B17R2.3956 Clc1ccccc1CCNC2CCCCC2 34a_100000182618_100011713703 [0,1,0,0,1,0|0,0,0]=2 8991 B17R2.3956 Clc1ccccc1CCNC2CCCCC2 34a_100011207228_100000210327 [0,1,0,0,1,0|0,0,0]=2 8992 B17R2.3956 Clc1ccccc1CCNC2CCCOC2 2230a_100000719290_100011713703 [0,1,0,0,1,0|1,0,0]=3 8993 B17R2.3956 Clc1ccccc1CCNC2CCCOC2 270004a_100000719290_200011713468 [0,1,0,0,1,0|1,0,0]=3 8994 B17R2.3956 Clc1ccccc1CCNC2CCCOC2 270004a_100011207228_100000753404 [0,1,0,0,1,0|1,0,0]=3 8995 B17R2.3956 Clc1ccccc1CCNC2CCCOC2 34a_100000719290_100011713703 [0,1,0,0,1,0|1,0,0]=3 8996 B17R2.3956 Clc1ccccc1CCNC2CCCOC2 34a_100011207228_100000693364 [0,1,0,0,1,0|1,0,0]=3 8997 B17R2.3956 Clc1ccccc1CCNC2CCCSC2 270004a_100011207228_100000057913 [0,1,0,0,1,0|1,0,0]=3 8998 B17R2.3956 Clc1ccccc1CCNC2CCNCC2 270004a_100011207228_100015192401 [0,1,0,0,1,0|1,0,0]=3 8999 B17R2.3956 Clc1ccccc1CCNC2CCOCC2 2230a_100000741149_100011713703 [0,1,0,0,1,0|1,0,0]=3 9000 B17R2.3956 Clc1ccccc1CCNC2CCOCC2 270004a_100000741149_200011713468 [0,1,0,0,1,0|1,0,0]=3 9001 B17R2.3956 Clc1ccccc1CCNC2CCOCC2 270004a_100011207228_100011217826 [0,1,0,0,1,0|1,0,0]=3 9002 B17R2.3956 Clc1ccccc1CCNC2CCOCC2 34a_100000741149_100011713703 [0,1,0,0,1,0|1,0,0]=3 9003 B17R2.3956 Clc1ccccc1CCNC2CCSCC2 2230a_100000748639_100011713703 [0,1,0,0,1,0|1,0,0]=3 9004 B17R2.3956 Clc1ccccc1CCNC2CCSCC2 270004a_100000748639_200011713468 [0,1,0,0,1,0|1,0,0]=3 9005 B17R2.3956 Clc1ccccc1CCNC2CCSCC2 270004a_100011207228_100000203788 [0,1,0,0,1,0|1,0,0]=3 9006 B17R2.3956 Clc1ccccc1CCNC2CCSCC2 34a_100000748639_100011713703 [0,1,0,0,1,0|1,0,0]=3 9007 B17R2.3956 Clc1ccccc1CCNC2CCSCC2 34a_100011207228_100000069128 [0,1,0,0,1,0|1,0,0]=3 9008 B17R2.3956 Clc1ccccc1CCOC2CCCCC2 34a_100000210231_100011713703 [0,1,0,0,1,0|1,0,0]=3 9009 B17R2.3956 Clc1ccccc1CCOC2CCCCC2 34a_100011215284_100000210327 [0,1,0,0,1,0|1,0,0]=3 9010 B17R2.3956 Clc1ccccc1CCOC2CCCCC2 7a_100000210231_100011713703 [0,1,0,0,1,0|1,0,0]=3 9011 B17R2.3956 Clc1ccccc1CCOC2CCCCC2 7a_100011215284_100000210327 [0,1,0,0,1,0|1,0,0]=3 9012 B17R2.3956 Clc1ccccc1CCOC2CCCCO2 34a_100000033831_100011713703 [0,1,0,0,1,0|2,0,0]=4 9013 B17R2.3956 Clc1ccccc1CCOC2CCCOC2 34a_100000754041_100011713703 [0,1,0,0,1,0|2,0,0]=4 9014 B17R2.3956 Clc1ccccc1CCOC2CCCOC2 34a_100011215284_100000693364 [0,1,0,0,1,0|2,0,0]=4 9015 B17R2.3956 Clc1ccccc1CCOC2CCCOC2 7a_100011215284_100000693364 [0,1,0,0,1,0|2,0,0]=4 9016 B17R2.3956 Clc1ccccc1CCOC2CCCSC2 7a_100015962668_100011713703 [0,1,0,0,1,0|2,0,0]=4 9017 B17R2.3956 Clc1ccccc1CCOC2CCOCC2 34a_100000744328_100011713703 [0,1,0,0,1,0|2,0,0]=4 9018 B17R2.3956 Clc1ccccc1CCOC2CCOCC2 7a_100011215284_100000686592 [0,1,0,0,1,0|2,0,0]=4 9019 B17R2.3956 Clc1ccccc1CCOC2CCSCC2 34a_100000731022_100011713703 [0,1,0,0,1,0|2,0,0]=4 9020 B17R2.3956 Clc1ccccc1CCOC2CCSCC2 34a_100011215284_100000069128 [0,1,0,0,1,0|2,0,0]=4 9021 B17R2.3956 Clc1ccccc1CCOC2CCSCC2 7a_100000731022_100011713703 [0,1,0,0,1,0|2,0,0]=4 9022 B17R2.3956 Clc1ccccc1CCOC2CCSCC2 7a_100011215284_100011500858 [0,1,0,0,1,0|2,0,0]=4 9023 B17R2.3956 Clc1ccccc1CCSC2CCCCC2 62a_100000210327_100011713703 [0,1,0,0,1,0|1,0,0]=3 9024 B17R2.3956 Clc1ccccc1CCSC2CCCCC2 62a_100011713703_100000210327 [0,1,0,0,1,0|1,0,0]=3 9025 B17R2.3956 Clc1ccccc1CCSC2CCCOC2 62a_100011713703_100000693364 [0,1,0,0,1,0|2,0,0]=4 9026 B17R2.3956 Clc1ccccc1CCSC2CCOCC2 62a_100011713703_100011324220 [0,1,0,0,1,0|2,0,0]=4 9027 B17R2.3956 Clc1ccccc1CCSC2CCSCC2 62a_100011713703_100000069128 [0,1,0,0,1,0|2,0,0]=4 9028 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 207a_100000210473_100000210073 [0,1,0,0,1,0|2,0,0]=4 9029 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 2230a_100000174879_100000211423 [0,1,0,0,1,0|2,0,0]=4 9030 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 2230a_100000210473_100000187162 [0,1,0,0,1,0|2,0,0]=4 9031 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 269862a_100000174879_100000211278 [0,1,0,0,1,0|2,0,0]=4 9032 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 270004a_100000210473_100000210073 [0,1,0,0,1,0|2,0,0]=4 9033 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 34a_100000174879_100000211423 [0,1,0,0,1,0|2,0,0]=4 9034 B17R2.3956 Clc1ccccc1CNCC2CCCCC2 34a_100000210473_100000187162 [0,1,0,0,1,0|2,0,0]=4 9035 B17R2.3956 Clc1ccccc1COCC2CCCCC2 34a_100000210847_100000211423 [0,1,0,0,1,0|2,0,0]=4 9036 B17R2.3956 Clc1ccccc1COCC2CCCCC2 34a_100000212181_100000187162 [0,1,0,0,1,0|2,0,0]=4 9037 B17R2.3956 Clc1ccccc1COCC2CCCCC2 7a_100000210847_100000211423 [0,1,0,0,1,0|2,0,0]=4 9038 B17R2.3956 Clc1ccccc1COCC2CCCCC2 7a_100000212181_100000187162 [0,1,0,0,1,0|2,0,0]=4 9039 B17R2.3956 Clc1ccccc1CSCC2CCCCC2 62a_100000187162_100000211423 [0,1,0,0,1,0|2,0,0]=4 9040 B17R2.3956 Clc1ccccc1CSCC2CCCCC2 62a_100000211423_100000187162 [0,1,0,0,1,0|2,0,0]=4 9041 B17R2.3956 Clc1ccccc1NCCC2CCCCC2 34a_100000185783_100011209188 [0,1,0,0,1,0|2,0,0]=4 9042 B17R2.3956 Clc1ccccc1NCOC2CCCCC2 34a_100000185783_100011935260 [0,1,0,0,1,0|2,0,0]=4 9043 B17R2.3956 Clc1ccccc1OCCC2CCCCC2 34a_100000210172_100011209188 [0,1,0,0,1,0|2,0,0]=4 9044 B17R2.3956 Clc1ccccc1OCCC2CCCCC2 7a_100000210172_100011273959 [0,1,0,0,1,0|2,0,0]=4 9045 B17R2.3956 Clc1ccccc1OCOC2CCCCC2 34a_100000210172_100011935260 [0,1,0,0,1,0|2,0,0]=4 9046 B17R2.3956 Clc1ccccc1OCOC2CCCCC2 7a_100000210172_100011935260 [0,1,0,0,1,0|2,0,0]=4 9047 B17R2.3956 Clc1ccccc1SCCC2CCCCC2 62a_100000764095_100012355289 [0,1,0,0,1,0|2,0,0]=4 9048 B17R2.3956 Clc1ccccc1SCCC2CCCCC2 62a_100012355289_100000764095 [0,1,0,0,1,0|2,0,0]=4 9049 B17R2.3956 Clc1ccccc1SCOC2CCCCC2 62a_100000764095_100011935260 [0,1,0,0,1,0|2,0,0]=4 9050 B17R2.3956 Clc1ccccc1SCOC2CCCCC2 62a_100011935260_100000764095 [0,1,0,0,1,0|2,0,0]=4 9051 B17R2.3956 FC1CCCCC1NCCc2ccccc2 34a_100000106460_100015423560 [0,1,0,0,1,0|0,0,0]=2 9052 B17R2.3956 FC1CCCCC1OCCc2ccccc2 34a_100000210268_100015423560 [0,1,0,0,1,0|1,0,0]=3 9053 B17R2.3956 FC1CCCCC1OCCc2ccccn2 34a_100000210271_100015423560 [0,1,0,0,1,0|2,0,0]=4 9054 B17R2.3956 FC1CCCCC1OCCc2cccnc2 34a_100011217484_100015423560 [0,1,0,0,1,0|2,0,0]=4 9055 B17R2.3956 FC1CCCCC1OCCc2ccncc2 34a_100011216225_100015423560 [0,1,0,0,1,0|2,0,0]=4 9056 B17R2.3956 FC1CCCCC1SCCc2ccccc2 62a_100000765856_100015423560 [0,1,0,0,1,0|1,0,0]=3 9057 B17R2.3956 FC1CCCCC1SCCc2ccccc2 62a_100015423560_100011218657 [0,1,0,0,1,0|1,0,0]=3 9058 B17R2.3956 FC1CCCCC1SCCc2ccccn2 62a_100015183660_100015423560 [0,1,0,0,1,0|2,0,0]=4 9059 B17R2.3956 FC1CCCCC1SCCc2ccccn2 62a_100015423560_100015183660 [0,1,0,0,1,0|2,0,0]=4 9060 B17R2.3956 FC1CCCCC1SCCc2cccnc2 62a_100015423560_200011713674 [0,1,0,0,1,0|2,0,0]=4 9061 B17R2.3956 FC1CCCCC1SCCc2cccnc2 62a_200011713674_100015423560 [0,1,0,0,1,0|2,0,0]=4 9062 B17R2.3956 FC1CCCCC1SCCc2ccncc2 62a_100000723409_100015423560 [0,1,0,0,1,0|2,0,0]=4 9063 B17R2.3956 FC1CCCCC1SCCc2ccncc2 62a_100015423560_100000723409 [0,1,0,0,1,0|2,0,0]=4 9064 B17R2.3956 FC1CCCCC1SCSc2ccccc2 62a_100011218342_100015423560 [0,1,0,0,1,0|2,0,0]=4 9065 B17R2.3956 FC1CCCCC1SCSc2ccccc2 62a_100015423560_100011218342 [0,1,0,0,1,0|2,0,0]=4 9066 B17R2.3956 F[C@@H]1CCCC[C@H]1NCCc2ccccc2 2230a_100015195156_100000765856 [0,1,0,0,1,0|0,0,0]=2 9067 B17R2.3956 F[C@@H]1CCCC[C@H]1NCCc2ccccc2 34a_100015195156_100000765856 [0,1,0,0,1,0|0,0,0]=2 9068 B17R2.3956 F[C@@H]1CCCC[C@H]1NCCc2ccccn2 2230a_100015195156_100015183660 [0,1,0,0,1,0|1,0,0]=3 9069 B17R2.3956 F[C@@H]1CCCC[C@H]1NCCc2cccnc2 2230a_100015195156_200011713674 [0,1,0,0,1,0|1,0,0]=3 9070 B17R2.3956 F[C@@H]1CCCC[C@H]1NCCc2ccncc2 2230a_100015195156_100000723409 [0,1,0,0,1,0|1,0,0]=3 9071 B17R2.3956 F[C@@H]1CCCC[C@H]1NCSc2ccccc2 2230a_100015195156_100011218342 [0,1,0,0,1,0|1,0,0]=3 9072 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2ccccc2 34a_100009816020_100000765856 [0,1,0,0,1,0|1,0,0]=3 9073 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2ccccc2 7a_100009816020_100000765856 [0,1,0,0,1,0|1,0,0]=3 9074 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2ccccn2 7a_100009816020_100015183660 [0,1,0,0,1,0|2,0,0]=4 9075 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2cccnc2 7a_100009816020_200011713674 [0,1,0,0,1,0|2,0,0]=4 9076 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2ccncc2 7a_100009816020_100000723409 [0,1,0,0,1,0|2,0,0]=4 9077 B17R2.3956 F[C@H]1CNCC[C@H]1OCCc2ccccc2 34a_200016994291_100000765856 [0,1,0,0,1,0|2,0,0]=4 9078 B17R2.3956 F[C@H]1COCC[C@@H]1NCCc2ccccc2 2230a_100016994078_100000765856 [0,1,0,0,1,0|1,0,0]=3 9079 B17R2.3956 F[C@H]1COCC[C@@H]1NCCc2ccccc2 34a_100016994078_100000765856 [0,1,0,0,1,0|1,0,0]=3 9080 B17R2.3956 F[C@H]1COCC[C@@H]1NCCc2ccccn2 2230a_100016994078_100015183660 [0,1,0,0,1,0|2,0,0]=4 9081 B17R2.3956 F[C@H]1COCC[C@@H]1NCCc2cccnc2 2230a_100016994078_200011713674 [0,1,0,0,1,0|2,0,0]=4 9082 B17R2.3956 F[C@H]1COCC[C@@H]1NCCc2ccncc2 2230a_100016994078_100000723409 [0,1,0,0,1,0|2,0,0]=4 9083 B17R2.3956 F[C@H]1COCC[C@@H]1NCSc2ccccc2 2230a_100016994078_100011218342 [0,1,0,0,1,0|2,0,0]=4 9084 B17R2.3956 Fc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000210811 [0,1,0,0,1,0|1,0,1]=4 9085 B17R2.3956 Fc1ccccc1CCNC2C=CCCC2 2230a_100000185272_100000751183 [0,1,0,0,1,0|0,0,2]=4 9086 B17R2.3956 Fc1ccccc1CCNC2CCCCC2 2230a_100000182618_100011713696 [0,1,0,0,1,0|0,0,0]=2 9087 B17R2.3956 Fc1ccccc1CCNC2CCCCC2 270004a_100000185272_100000210434 [0,1,0,0,1,0|0,0,0]=2 9088 B17R2.3956 Fc1ccccc1CCNC2CCCCC2 34a_100000182618_100000720011 [0,1,0,0,1,0|0,0,0]=2 9089 B17R2.3956 Fc1ccccc1CCNC2CCCCC2 34a_100000185272_100000210327 [0,1,0,0,1,0|0,0,0]=2 9090 B17R2.3956 Fc1ccccc1CCNC2CCCOC2 2230a_100000719290_100011713696 [0,1,0,0,1,0|1,0,0]=3 9091 B17R2.3956 Fc1ccccc1CCNC2CCCOC2 270004a_100000185272_100000753404 [0,1,0,0,1,0|1,0,0]=3 9092 B17R2.3956 Fc1ccccc1CCNC2CCCOC2 34a_100000185272_100000693364 [0,1,0,0,1,0|1,0,0]=3 9093 B17R2.3956 Fc1ccccc1CCNC2CCCOC2 34a_100000719290_100000720011 [0,1,0,0,1,0|1,0,0]=3 9094 B17R2.3956 Fc1ccccc1CCNC2CCCSC2 270004a_100000185272_100000057913 [0,1,0,0,1,0|1,0,0]=3 9095 B17R2.3956 Fc1ccccc1CCNC2CCNCC2 270004a_100000185272_100015192401 [0,1,0,0,1,0|1,0,0]=3 9096 B17R2.3956 Fc1ccccc1CCNC2CCOCC2 2230a_100000741149_100011713696 [0,1,0,0,1,0|1,0,0]=3 9097 B17R2.3956 Fc1ccccc1CCNC2CCOCC2 270004a_100000185272_100011217826 [0,1,0,0,1,0|1,0,0]=3 9098 B17R2.3956 Fc1ccccc1CCNC2CCOCC2 34a_100000741149_100000720011 [0,1,0,0,1,0|1,0,0]=3 9099 B17R2.3956 Fc1ccccc1CCNC2CCSCC2 2230a_100000748639_100011713696 [0,1,0,0,1,0|1,0,0]=3 9100 B17R2.3956 Fc1ccccc1CCNC2CCSCC2 270004a_100000185272_100000203788 [0,1,0,0,1,0|1,0,0]=3 9101 B17R2.3956 Fc1ccccc1CCNC2CCSCC2 34a_100000185272_100000069128 [0,1,0,0,1,0|1,0,0]=3 9102 B17R2.3956 Fc1ccccc1CCNC2CCSCC2 34a_100000748639_100000720011 [0,1,0,0,1,0|1,0,0]=3 9103 B17R2.3956 Fc1ccccc1CCOC2CCCCC2 34a_100000210231_100000720011 [0,1,0,0,1,0|1,0,0]=3 9104 B17R2.3956 Fc1ccccc1CCOC2CCCCC2 34a_100000753711_100000210327 [0,1,0,0,1,0|1,0,0]=3 9105 B17R2.3956 Fc1ccccc1CCOC2CCCCC2 7a_100000210231_100000720011 [0,1,0,0,1,0|1,0,0]=3 9106 B17R2.3956 Fc1ccccc1CCOC2CCCCC2 7a_100000753711_100000210327 [0,1,0,0,1,0|1,0,0]=3 9107 B17R2.3956 Fc1ccccc1CCOC2CCCCO2 34a_100000033831_100000720011 [0,1,0,0,1,0|2,0,0]=4 9108 B17R2.3956 Fc1ccccc1CCOC2CCCOC2 34a_100000753711_100000693364 [0,1,0,0,1,0|2,0,0]=4 9109 B17R2.3956 Fc1ccccc1CCOC2CCCOC2 34a_100000754041_100000720011 [0,1,0,0,1,0|2,0,0]=4 9110 B17R2.3956 Fc1ccccc1CCOC2CCCOC2 7a_100000753711_100000693364 [0,1,0,0,1,0|2,0,0]=4 9111 B17R2.3956 Fc1ccccc1CCOC2CCCSC2 7a_100015962668_100000720011 [0,1,0,0,1,0|2,0,0]=4 9112 B17R2.3956 Fc1ccccc1CCOC2CCOCC2 34a_100000744328_100000720011 [0,1,0,0,1,0|2,0,0]=4 9113 B17R2.3956 Fc1ccccc1CCOC2CCOCC2 7a_100000753711_100000686592 [0,1,0,0,1,0|2,0,0]=4 9114 B17R2.3956 Fc1ccccc1CCOC2CCSCC2 34a_100000731022_100000720011 [0,1,0,0,1,0|2,0,0]=4 9115 B17R2.3956 Fc1ccccc1CCOC2CCSCC2 34a_100000753711_100000069128 [0,1,0,0,1,0|2,0,0]=4 9116 B17R2.3956 Fc1ccccc1CCOC2CCSCC2 7a_100000731022_100000720011 [0,1,0,0,1,0|2,0,0]=4 9117 B17R2.3956 Fc1ccccc1CCOC2CCSCC2 7a_100000753711_100011500858 [0,1,0,0,1,0|2,0,0]=4 9118 B17R2.3956 Fc1ccccc1CCSC2CCCCC2 62a_100000210327_100011713696 [0,1,0,0,1,0|1,0,0]=3 9119 B17R2.3956 Fc1ccccc1CCSC2CCCCC2 62a_100011713696_100000210327 [0,1,0,0,1,0|1,0,0]=3 9120 B17R2.3956 Fc1ccccc1CCSC2CCCOC2 62a_100011713696_100000693364 [0,1,0,0,1,0|2,0,0]=4 9121 B17R2.3956 Fc1ccccc1CCSC2CCOCC2 62a_100011713696_100011324220 [0,1,0,0,1,0|2,0,0]=4 9122 B17R2.3956 Fc1ccccc1CCSC2CCSCC2 62a_100011713696_100000069128 [0,1,0,0,1,0|2,0,0]=4 9123 B17R2.3956 Fc1ccccc1CNCC2CCCCC2 207a_100000210473_100000210811 [0,1,0,0,1,0|2,0,0]=4 9124 B17R2.3956 Fc1ccccc1CNCC2CCCCC2 2230a_100000210473_100000211605 [0,1,0,0,1,0|2,0,0]=4 9125 B17R2.3956 Fc1ccccc1CNCC2CCCCC2 269862a_100000174869_100000211278 [0,1,0,0,1,0|2,0,0]=4 9126 B17R2.3956 Fc1ccccc1CNCC2CCCCC2 270004a_100000210473_100000210811 [0,1,0,0,1,0|2,0,0]=4 9127 B17R2.3956 Fc1ccccc1CNCC2CCCCC2 34a_100000174869_100000211423 [0,1,0,0,1,0|2,0,0]=4 9128 B17R2.3956 Fc1ccccc1CNCC2CCCCC2 34a_100000210473_100000211605 [0,1,0,0,1,0|2,0,0]=4 9129 B17R2.3956 Fc1ccccc1COCC2CCCCC2 34a_100000211962_100000211423 [0,1,0,0,1,0|2,0,0]=4 9130 B17R2.3956 Fc1ccccc1COCC2CCCCC2 34a_100000212181_100000211605 [0,1,0,0,1,0|2,0,0]=4 9131 B17R2.3956 Fc1ccccc1COCC2CCCCC2 7a_100000211962_100000211423 [0,1,0,0,1,0|2,0,0]=4 9132 B17R2.3956 Fc1ccccc1COCC2CCCCC2 7a_100000212181_100000211605 [0,1,0,0,1,0|2,0,0]=4 9133 B17R2.3956 Fc1ccccc1CSCC2CCCCC2 62a_100000211423_100000211605 [0,1,0,0,1,0|2,0,0]=4 9134 B17R2.3956 Fc1ccccc1CSCC2CCCCC2 62a_100000211605_100000211423 [0,1,0,0,1,0|2,0,0]=4 9135 B17R2.3956 Fc1ccccc1NCCC2CCCCC2 34a_100000210422_100011209188 [0,1,0,0,1,0|2,0,0]=4 9136 B17R2.3956 Fc1ccccc1NCOC2CCCCC2 34a_100000210422_100011935260 [0,1,0,0,1,0|2,0,0]=4 9137 B17R2.3956 Fc1ccccc1OCCC2CCCCC2 34a_100000210171_100011209188 [0,1,0,0,1,0|2,0,0]=4 9138 B17R2.3956 Fc1ccccc1OCCC2CCCCC2 7a_100000210171_100011273959 [0,1,0,0,1,0|2,0,0]=4 9139 B17R2.3956 Fc1ccccc1OCOC2CCCCC2 34a_100000210171_100011935260 [0,1,0,0,1,0|2,0,0]=4 9140 B17R2.3956 Fc1ccccc1OCOC2CCCCC2 7a_100000210171_100011935260 [0,1,0,0,1,0|2,0,0]=4 9141 B17R2.3956 Fc1ccccc1SCCC2CCCCC2 62a_100011215700_100012355289 [0,1,0,0,1,0|2,0,0]=4 9142 B17R2.3956 Fc1ccccc1SCCC2CCCCC2 62a_100012355289_100011215700 [0,1,0,0,1,0|2,0,0]=4 9143 B17R2.3956 Fc1ccccc1SCOC2CCCCC2 62a_100011215700_100011935260 [0,1,0,0,1,0|2,0,0]=4 9144 B17R2.3956 Fc1ccccc1SCOC2CCCCC2 62a_100011935260_100011215700 [0,1,0,0,1,0|2,0,0]=4 9145 B17R2.3956 Ic1ccccc1C=NNC2CCCCC2 4a_100000709804_100000010305 [0,1,0,0,1,0|1,0,1]=4 9146 B17R2.3956 Ic1ccccc1CCOC2CCCCC2 34a_100010255290_100000210327 [0,1,0,0,1,0|1,0,0]=3 9147 B17R2.3956 Ic1ccccc1CCOC2CCCCC2 7a_100010255290_100000210327 [0,1,0,0,1,0|1,0,0]=3 9148 B17R2.3956 Ic1ccccc1CCOC2CCCOC2 34a_100010255290_100000693364 [0,1,0,0,1,0|2,0,0]=4 9149 B17R2.3956 Ic1ccccc1CCOC2CCCOC2 7a_100010255290_100000693364 [0,1,0,0,1,0|2,0,0]=4 9150 B17R2.3956 Ic1ccccc1CCOC2CCOCC2 7a_100010255290_100000686592 [0,1,0,0,1,0|2,0,0]=4 9151 B17R2.3956 Ic1ccccc1CCOC2CCSCC2 34a_100010255290_100000069128 [0,1,0,0,1,0|2,0,0]=4 9152 B17R2.3956 Ic1ccccc1CCOC2CCSCC2 7a_100010255290_100011500858 [0,1,0,0,1,0|2,0,0]=4 9153 B17R2.3956 Ic1ccccc1CNCC2CCCCC2 207a_100000210473_100000010305 [0,1,0,0,1,0|2,0,0]=4 9154 B17R2.3956 Ic1ccccc1CNCC2CCCCC2 2230a_100000210473_100011215278 [0,1,0,0,1,0|2,0,0]=4 9155 B17R2.3956 Ic1ccccc1CNCC2CCCCC2 269862a_100015347259_100000211278 [0,1,0,0,1,0|2,0,0]=4 9156 B17R2.3956 Ic1ccccc1CNCC2CCCCC2 270004a_100000210473_100000010305 [0,1,0,0,1,0|2,0,0]=4 9157 B17R2.3956 Ic1ccccc1CNCC2CCCCC2 34a_100000210473_100011215278 [0,1,0,0,1,0|2,0,0]=4 9158 B17R2.3956 Ic1ccccc1COCC2CCCCC2 34a_100000187465_100000211423 [0,1,0,0,1,0|2,0,0]=4 9159 B17R2.3956 Ic1ccccc1COCC2CCCCC2 34a_100000212181_100011215278 [0,1,0,0,1,0|2,0,0]=4 9160 B17R2.3956 Ic1ccccc1COCC2CCCCC2 7a_100000187465_100000211423 [0,1,0,0,1,0|2,0,0]=4 9161 B17R2.3956 Ic1ccccc1COCC2CCCCC2 7a_100000212181_100011215278 [0,1,0,0,1,0|2,0,0]=4 9162 B17R2.3956 Ic1ccccc1CSCC2CCCCC2 62a_100000211423_100011216222 [0,1,0,0,1,0|2,0,0]=4 9163 B17R2.3956 Ic1ccccc1CSCC2CCCCC2 62a_100011216222_100000211423 [0,1,0,0,1,0|2,0,0]=4 9164 B17R2.3956 Ic1ccccc1NCCC2CCCCC2 34a_100000210053_100011209188 [0,1,0,0,1,0|2,0,0]=4 9165 B17R2.3956 Ic1ccccc1NCOC2CCCCC2 34a_100000210053_100011935260 [0,1,0,0,1,0|2,0,0]=4 9166 B17R2.3956 Ic1ccccc1OCCC2CCCCC2 34a_100000739446_100011209188 [0,1,0,0,1,0|2,0,0]=4 9167 B17R2.3956 Ic1ccccc1OCCC2CCCCC2 7a_100000739446_100011273959 [0,1,0,0,1,0|2,0,0]=4 9168 B17R2.3956 Ic1ccccc1OCOC2CCCCC2 34a_100000739446_100011935260 [0,1,0,0,1,0|2,0,0]=4 9169 B17R2.3956 Ic1ccccc1OCOC2CCCCC2 7a_100000739446_100011935260 [0,1,0,0,1,0|2,0,0]=4 9170 B17R2.3956 N[C@@H]1CCCC[C@@H]1OCCc2ccccc2 34a_100015191688_100000765856 [0,1,0,0,1,0|1,0,0]=3 9171 B17R2.3956 N[C@@H]1CCOC[C@@H]1OCCc2ccccc2 34a_100016994285_100000765856 [0,1,0,0,1,0|2,0,0]=4 9172 B17R2.3956 N[C@H]1COCC[C@@H]1OCCc2ccccc2 34a_100015739063_100000765856 [0,1,0,0,1,0|2,0,0]=4 9173 B17R2.3956 Nc1ccccc1CCOC2CCCCC2 34a_100011215289_100000210327 [0,1,0,0,1,0|1,0,0]=3 9174 B17R2.3956 Nc1ccccc1CCOC2CCCOC2 34a_100011215289_100000693364 [0,1,0,0,1,0|2,0,0]=4 9175 B17R2.3956 Nc1ccccc1CCOC2CCSCC2 34a_100011215289_100000069128 [0,1,0,0,1,0|2,0,0]=4 9176 B17R2.3956 Nc1ccccc1COCC2CCCCC2 34a_100000212039_100000211423 [0,1,0,0,1,0|2,0,0]=4 9177 B17R2.3956 Nc1ccccc1OCCC2CCCCC2 34a_100000185747_100011209188 [0,1,0,0,1,0|2,0,0]=4 9178 B17R2.3956 Nc1ccccc1OCCC2CCCCC2 7a_100000185747_100011273959 [0,1,0,0,1,0|2,0,0]=4 9179 B17R2.3956 Nc1ccccc1OCOC2CCCCC2 34a_100000185747_100011935260 [0,1,0,0,1,0|2,0,0]=4 9180 B17R2.3956 Nc1ccccc1OCOC2CCCCC2 7a_100000185747_100011935260 [0,1,0,0,1,0|2,0,0]=4 9181 B17R2.3956 Nc1ccccc1SCCC2CCCCC2 62a_100000210017_100012355289 [0,1,0,0,1,0|2,0,0]=4 9182 B17R2.3956 Nc1ccccc1SCCC2CCCCC2 62a_100012355289_100000210017 [0,1,0,0,1,0|2,0,0]=4 9183 B17R2.3956 Nc1ccccc1SCOC2CCCCC2 62a_100000210017_100011935260 [0,1,0,0,1,0|2,0,0]=4 9184 B17R2.3956 Nc1ccccc1SCOC2CCCCC2 62a_100011935260_100000210017 [0,1,0,0,1,0|2,0,0]=4 9185 B17R2.3956 O=C1CCCCC1NCCc2ccccc2 34a_100000106460_100000754470 [0,1,0,0,1,0|0,0,1]=3 9186 B17R2.3956 O=C1CCCCC1OCCc2ccccc2 34a_100000210268_100000754470 [0,1,0,0,1,0|1,0,1]=4 9187 B17R2.3956 O=C1CCCCC1OCCc2ccccc2 34a_100011214950_100000765856 [0,1,0,0,1,0|1,0,1]=4 9188 B17R2.3956 O=C1CCCCC1OCCc2ccccc2 7a_100000210268_100000204591 [0,1,0,0,1,0|1,0,1]=4 9189 B17R2.3956 O=C1CCCCC1SCCc2ccccc2 62a_100000204591_100011218657 [0,1,0,0,1,0|1,0,1]=4 9190 B17R2.3956 O=C1CCCCC1SCCc2ccccc2 62a_100000765856_100000204591 [0,1,0,0,1,0|1,0,1]=4 9191 B17R2.3956 O=C1CCOCC1NCCc2ccccc2 34a_100000106460_100012180262 [0,1,0,0,1,0|1,0,1]=4 9192 B17R2.3956 O=C1NCCCC1NCCc2ccccc2 2230a_100000106460_100000687798 [0,1,0,0,1,0|1,0,1]=4 9193 B17R2.3956 O=C1NCCCC1NCCc2ccccc2 2230a_100000747585_100000765856 [0,1,0,0,1,0|1,0,1]=4 9194 B17R2.3956 O=C1NCCCC1NCCc2ccccc2 34a_100000106460_100000687798 [0,1,0,0,1,0|1,0,1]=4 9195 B17R2.3956 O=C1NCCCC1NCCc2ccccc2 34a_100000747585_100000765856 [0,1,0,0,1,0|1,0,1]=4 9196 B17R2.3956 OC1CCCCC1CNCc2ccccc2 207a_100011216029_100015611070 [0,1,0,0,1,0|2,0,0]=4 9197 B17R2.3956 OC1CCCCC1CNCc2ccccc2 270004a_100011216029_100015611070 [0,1,0,0,1,0|2,0,0]=4 9198 B17R2.3956 OC1CCCCC1CNCc2ccccc2 34a_100011216029_100015291786 [0,1,0,0,1,0|2,0,0]=4 9199 B17R2.3956 OC1CCCCC1NCCc2ccccc2 34a_100000106460_100000038908 [0,1,0,0,1,0|0,0,0]=2 9200 B17R2.3956 OC1CCCCC1OCCc2ccccc2 34a_100000210268_100000038908 [0,1,0,0,1,0|1,0,0]=3 9201 B17R2.3956 OC1CCCCC1OCCc2ccccn2 34a_100000210271_100000038908 [0,1,0,0,1,0|2,0,0]=4 9202 B17R2.3956 OC1CCCCC1OCCc2cccnc2 34a_100011217484_100000038908 [0,1,0,0,1,0|2,0,0]=4 9203 B17R2.3956 OC1CCCCC1OCCc2ccncc2 34a_100011216225_100000038908 [0,1,0,0,1,0|2,0,0]=4 9204 B17R2.3956 OC1CCCCC1SCCc2ccccc2 62a_100000038908_100011218657 [0,1,0,0,1,0|1,0,0]=3 9205 B17R2.3956 OC1CCCCC1SCCc2ccccc2 62a_100000765856_100000038908 [0,1,0,0,1,0|1,0,0]=3 9206 B17R2.3956 OC1CCCCC1SCCc2ccccn2 62a_100000038908_100015183660 [0,1,0,0,1,0|2,0,0]=4 9207 B17R2.3956 OC1CCCCC1SCCc2ccccn2 62a_100015183660_100000038908 [0,1,0,0,1,0|2,0,0]=4 9208 B17R2.3956 OC1CCCCC1SCCc2cccnc2 62a_100000038908_200011713674 [0,1,0,0,1,0|2,0,0]=4 9209 B17R2.3956 OC1CCCCC1SCCc2cccnc2 62a_200011713674_100000038908 [0,1,0,0,1,0|2,0,0]=4 9210 B17R2.3956 OC1CCCCC1SCCc2ccncc2 62a_100000038908_100000723409 [0,1,0,0,1,0|2,0,0]=4 9211 B17R2.3956 OC1CCCCC1SCCc2ccncc2 62a_100000723409_100000038908 [0,1,0,0,1,0|2,0,0]=4 9212 B17R2.3956 OC1CCCCC1SCSc2ccccc2 62a_100000038908_100011218342 [0,1,0,0,1,0|2,0,0]=4 9213 B17R2.3956 OC1CCCCC1SCSc2ccccc2 62a_100011218342_100000038908 [0,1,0,0,1,0|2,0,0]=4 9214 B17R2.3956 O[C@H]1CCOC[C@@H]1NCCc2ccccc2 2230a_100015739063_100000765856 [0,1,0,0,1,0|1,0,0]=3 9215 B17R2.3956 O[C@H]1CCOC[C@@H]1NCCc2ccccn2 2230a_100015739063_100015183660 [0,1,0,0,1,0|2,0,0]=4 9216 B17R2.3956 O[C@H]1CCOC[C@@H]1NCCc2cccnc2 2230a_100015739063_200011713674 [0,1,0,0,1,0|2,0,0]=4 9217 B17R2.3956 O[C@H]1CCOC[C@@H]1NCCc2ccncc2 2230a_100015739063_100000723409 [0,1,0,0,1,0|2,0,0]=4 9218 B17R2.3956 O[C@H]1CCOC[C@@H]1NCSc2ccccc2 2230a_100015739063_100011218342 [0,1,0,0,1,0|2,0,0]=4 9219 B17R2.3956 O[C@H]1COCC[C@H]1NCCc2ccccc2 2230a_100016994285_100000765856 [0,1,0,0,1,0|1,0,0]=3 9220 B17R2.3956 O[C@H]1COCC[C@H]1NCCc2ccccn2 2230a_100016994285_100015183660 [0,1,0,0,1,0|2,0,0]=4 9221 B17R2.3956 O[C@H]1COCC[C@H]1NCCc2cccnc2 2230a_100016994285_200011713674 [0,1,0,0,1,0|2,0,0]=4 9222 B17R2.3956 O[C@H]1COCC[C@H]1NCCc2ccncc2 2230a_100016994285_100000723409 [0,1,0,0,1,0|2,0,0]=4 9223 B17R2.3956 O[C@H]1COCC[C@H]1NCSc2ccccc2 2230a_100016994285_100011218342 [0,1,0,0,1,0|2,0,0]=4 9224 B17R2.3956 Oc1ccccc1C=NNC2CCCCC2 4a_100000709804_100000185834 [0,1,0,0,1,0|1,0,1]=4 9225 B17R2.3956 Oc1ccccc1CCNC2CCCCC2 270004a_100011207237_100000210434 [0,1,0,0,1,0|0,0,0]=2 9226 B17R2.3956 Oc1ccccc1CCNC2CCCCC2 34a_100000182618_100000722297 [0,1,0,0,1,0|0,0,0]=2 9227 B17R2.3956 Oc1ccccc1CCNC2CCCCC2 34a_100011207237_100000210327 [0,1,0,0,1,0|0,0,0]=2 9228 B17R2.3956 Oc1ccccc1CCNC2CCCOC2 270004a_100011207237_100000753404 [0,1,0,0,1,0|1,0,0]=3 9229 B17R2.3956 Oc1ccccc1CCNC2CCCOC2 34a_100000719290_100000722297 [0,1,0,0,1,0|1,0,0]=3 9230 B17R2.3956 Oc1ccccc1CCNC2CCCOC2 34a_100011207237_100000693364 [0,1,0,0,1,0|1,0,0]=3 9231 B17R2.3956 Oc1ccccc1CCNC2CCCSC2 270004a_100011207237_100000057913 [0,1,0,0,1,0|1,0,0]=3 9232 B17R2.3956 Oc1ccccc1CCNC2CCNCC2 270004a_100011207237_100015192401 [0,1,0,0,1,0|1,0,0]=3 9233 B17R2.3956 Oc1ccccc1CCNC2CCOCC2 270004a_100011207237_100011217826 [0,1,0,0,1,0|1,0,0]=3 9234 B17R2.3956 Oc1ccccc1CCNC2CCOCC2 34a_100000741149_100000722297 [0,1,0,0,1,0|1,0,0]=3 9235 B17R2.3956 Oc1ccccc1CCNC2CCSCC2 270004a_100011207237_100000203788 [0,1,0,0,1,0|1,0,0]=3 9236 B17R2.3956 Oc1ccccc1CCNC2CCSCC2 34a_100000748639_100000722297 [0,1,0,0,1,0|1,0,0]=3 9237 B17R2.3956 Oc1ccccc1CCNC2CCSCC2 34a_100011207237_100000069128 [0,1,0,0,1,0|1,0,0]=3 9238 B17R2.3956 Oc1ccccc1CCOC2CCCCC2 34a_100000210231_100000722297 [0,1,0,0,1,0|1,0,0]=3 9239 B17R2.3956 Oc1ccccc1CCOC2CCCCC2 7a_100000210231_100000722297 [0,1,0,0,1,0|1,0,0]=3 9240 B17R2.3956 Oc1ccccc1CCOC2CCCCO2 34a_100000033831_100000722297 [0,1,0,0,1,0|2,0,0]=4 9241 B17R2.3956 Oc1ccccc1CCOC2CCCOC2 34a_100000754041_100000722297 [0,1,0,0,1,0|2,0,0]=4 9242 B17R2.3956 Oc1ccccc1CCOC2CCCSC2 7a_100015962668_100000722297 [0,1,0,0,1,0|2,0,0]=4 9243 B17R2.3956 Oc1ccccc1CCOC2CCOCC2 34a_100000744328_100000722297 [0,1,0,0,1,0|2,0,0]=4 9244 B17R2.3956 Oc1ccccc1CCOC2CCSCC2 34a_100000731022_100000722297 [0,1,0,0,1,0|2,0,0]=4 9245 B17R2.3956 Oc1ccccc1CCOC2CCSCC2 7a_100000731022_100000722297 [0,1,0,0,1,0|2,0,0]=4 9246 B17R2.3956 Oc1ccccc1CCSC2CCCCC2 62a_100000210327_100000722297 [0,1,0,0,1,0|1,0,0]=3 9247 B17R2.3956 Oc1ccccc1CCSC2CCCCC2 62a_100000722297_100000210327 [0,1,0,0,1,0|1,0,0]=3 9248 B17R2.3956 Oc1ccccc1CCSC2CCCOC2 62a_100000722297_100000693364 [0,1,0,0,1,0|2,0,0]=4 9249 B17R2.3956 Oc1ccccc1CCSC2CCOCC2 62a_100000722297_100011324220 [0,1,0,0,1,0|2,0,0]=4 9250 B17R2.3956 Oc1ccccc1CCSC2CCSCC2 62a_100000722297_100000069128 [0,1,0,0,1,0|2,0,0]=4 9251 B17R2.3956 Oc1ccccc1CNCC2CCCCC2 269862a_100000185550_100000211278 [0,1,0,0,1,0|2,0,0]=4 9252 B17R2.3956 Oc1ccccc1CNCC2CCCCC2 34a_100000185550_100000211423 [0,1,0,0,1,0|2,0,0]=4 9253 B17R2.3956 Oc1ccccc1NCCC2CCCCC2 34a_100000185747_100011209188 [0,1,0,0,1,0|2,0,0]=4 9254 B17R2.3956 Oc1ccccc1NCOC2CCCCC2 34a_100000185747_100011935260 [0,1,0,0,1,0|2,0,0]=4 9255 B17R2.3956 Oc1ccccc1SCCC2CCCCC2 62a_100000739446_100012355289 [0,1,0,0,1,0|2,0,0]=4 9256 B17R2.3956 Oc1ccccc1SCCC2CCCCC2 62a_100012355289_100000739446 [0,1,0,0,1,0|2,0,0]=4 9257 B17R2.3956 Oc1ccccc1SCOC2CCCCC2 62a_100000739446_100011935260 [0,1,0,0,1,0|2,0,0]=4 9258 B17R2.3956 Oc1ccccc1SCOC2CCCCC2 62a_100011935260_100000739446 [0,1,0,0,1,0|2,0,0]=4 9259 B17R2.5301 Brc1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000210085 [0,1,0,0,1,0|1,0,1]=4 9260 B17R2.5301 Brc1cccc(c1)CCNC2C=CCCC2 2230a_100011207229_100000751183 [0,1,0,0,1,0|0,0,2]=4 9261 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011740638 [0,1,0,0,1,0|0,0,0]=2 9262 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 270004a_100011207229_100000210434 [0,1,0,0,1,0|0,0,0]=2 9263 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011740638 [0,1,0,0,1,0|0,0,0]=2 9264 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 34a_100011207229_100000210327 [0,1,0,0,1,0|0,0,0]=2 9265 B17R2.5301 Brc1cccc(c1)CCNC2CCCOC2 2230a_100000719290_100011740638 [0,1,0,0,1,0|1,0,0]=3 9266 B17R2.5301 Brc1cccc(c1)CCNC2CCCOC2 270004a_100011207229_100000753404 [0,1,0,0,1,0|1,0,0]=3 9267 B17R2.5301 Brc1cccc(c1)CCNC2CCCOC2 34a_100000719290_100011740638 [0,1,0,0,1,0|1,0,0]=3 9268 B17R2.5301 Brc1cccc(c1)CCNC2CCCOC2 34a_100011207229_100000693364 [0,1,0,0,1,0|1,0,0]=3 9269 B17R2.5301 Brc1cccc(c1)CCNC2CCCSC2 270004a_100011207229_100000057913 [0,1,0,0,1,0|1,0,0]=3 9270 B17R2.5301 Brc1cccc(c1)CCNC2CCNCC2 270004a_100011207229_100015192401 [0,1,0,0,1,0|1,0,0]=3 9271 B17R2.5301 Brc1cccc(c1)CCNC2CCOCC2 2230a_100000741149_100011740638 [0,1,0,0,1,0|1,0,0]=3 9272 B17R2.5301 Brc1cccc(c1)CCNC2CCOCC2 270004a_100011207229_100011217826 [0,1,0,0,1,0|1,0,0]=3 9273 B17R2.5301 Brc1cccc(c1)CCNC2CCOCC2 34a_100000741149_100011740638 [0,1,0,0,1,0|1,0,0]=3 9274 B17R2.5301 Brc1cccc(c1)CCNC2CCSCC2 2230a_100000748639_100011740638 [0,1,0,0,1,0|1,0,0]=3 9275 B17R2.5301 Brc1cccc(c1)CCNC2CCSCC2 270004a_100011207229_100000203788 [0,1,0,0,1,0|1,0,0]=3 9276 B17R2.5301 Brc1cccc(c1)CCNC2CCSCC2 34a_100000748639_100011740638 [0,1,0,0,1,0|1,0,0]=3 9277 B17R2.5301 Brc1cccc(c1)CCNC2CCSCC2 34a_100011207229_100000069128 [0,1,0,0,1,0|1,0,0]=3 9278 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011740638 [0,1,0,0,1,0|1,0,0]=3 9279 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 34a_100011217444_100000210327 [0,1,0,0,1,0|1,0,0]=3 9280 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011740638 [0,1,0,0,1,0|1,0,0]=3 9281 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 7a_100011217444_100000210327 [0,1,0,0,1,0|1,0,0]=3 9282 B17R2.5301 Brc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011740638 [0,1,0,0,1,0|2,0,0]=4 9283 B17R2.5301 Brc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011740638 [0,1,0,0,1,0|2,0,0]=4 9284 B17R2.5301 Brc1cccc(c1)CCOC2CCCOC2 34a_100011217444_100000693364 [0,1,0,0,1,0|2,0,0]=4 9285 B17R2.5301 Brc1cccc(c1)CCOC2CCCOC2 7a_100011217444_100000693364 [0,1,0,0,1,0|2,0,0]=4 9286 B17R2.5301 Brc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011740638 [0,1,0,0,1,0|2,0,0]=4 9287 B17R2.5301 Brc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011740638 [0,1,0,0,1,0|2,0,0]=4 9288 B17R2.5301 Brc1cccc(c1)CCOC2CCOCC2 7a_100011217444_100000686592 [0,1,0,0,1,0|2,0,0]=4 9289 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011740638 [0,1,0,0,1,0|2,0,0]=4 9290 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 34a_100011217444_100000069128 [0,1,0,0,1,0|2,0,0]=4 9291 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011740638 [0,1,0,0,1,0|2,0,0]=4 9292 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 7a_100011217444_100011500858 [0,1,0,0,1,0|2,0,0]=4 9293 B17R2.5301 Brc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011740638 [0,1,0,0,1,0|1,0,0]=3 9294 B17R2.5301 Brc1cccc(c1)CCSC2CCCCC2 62a_100011740638_100000210327 [0,1,0,0,1,0|1,0,0]=3 9295 B17R2.5301 Brc1cccc(c1)CCSC2CCCOC2 62a_100011740638_100000693364 [0,1,0,0,1,0|2,0,0]=4 9296 B17R2.5301 Brc1cccc(c1)CCSC2CCOCC2 62a_100011740638_100011324220 [0,1,0,0,1,0|2,0,0]=4 9297 B17R2.5301 Brc1cccc(c1)CCSC2CCSCC2 62a_100011740638_100000069128 [0,1,0,0,1,0|2,0,0]=4 9298 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 207a_100000210473_100000210085 [0,1,0,0,1,0|2,0,0]=4 9299 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 2230a_100000174977_100000211423 [0,1,0,0,1,0|2,0,0]=4 9300 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 2230a_100000210473_100000698116 [0,1,0,0,1,0|2,0,0]=4 9301 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 269862a_100000174977_100000211278 [0,1,0,0,1,0|2,0,0]=4 9302 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 270004a_100000210473_100000210085 [0,1,0,0,1,0|2,0,0]=4 9303 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 34a_100000174977_100000211423 [0,1,0,0,1,0|2,0,0]=4 9304 B17R2.5301 Brc1cccc(c1)CNCC2CCCCC2 34a_100000210473_100000698116 [0,1,0,0,1,0|2,0,0]=4 9305 B17R2.5301 Brc1cccc(c1)COCC2CCCCC2 34a_100000212181_100000698116 [0,1,0,0,1,0|2,0,0]=4 9306 B17R2.5301 Brc1cccc(c1)COCC2CCCCC2 34a_100000687537_100000211423 [0,1,0,0,1,0|2,0,0]=4 9307 B17R2.5301 Brc1cccc(c1)COCC2CCCCC2 7a_100000212181_100000211773 [0,1,0,0,1,0|2,0,0]=4 9308 B17R2.5301 Brc1cccc(c1)COCC2CCCCC2 7a_100000687537_100000211423 [0,1,0,0,1,0|2,0,0]=4 9309 B17R2.5301 Brc1cccc(c1)CSCC2CCCCC2 62a_100000211423_100000211773 [0,1,0,0,1,0|2,0,0]=4 9310 B17R2.5301 Brc1cccc(c1)CSCC2CCCCC2 62a_100000211773_100000211423 [0,1,0,0,1,0|2,0,0]=4 9311 B17R2.5301 Brc1cccc(c1)NCCC2CCCCC2 34a_100000210019_100011209188 [0,1,0,0,1,0|2,0,0]=4 9312 B17R2.5301 Brc1cccc(c1)NCOC2CCCCC2 34a_100000210019_100011935260 [0,1,0,0,1,0|2,0,0]=4 9313 B17R2.5301 Brc1cccc(c1)OCCC2CCCCC2 34a_100000210342_100011209188 [0,1,0,0,1,0|2,0,0]=4 9314 B17R2.5301 Brc1cccc(c1)OCCC2CCCCC2 7a_100000210342_100011273959 [0,1,0,0,1,0|2,0,0]=4 9315 B17R2.5301 Brc1cccc(c1)OCOC2CCCCC2 34a_100000210342_100011935260 [0,1,0,0,1,0|2,0,0]=4 9316 B17R2.5301 Brc1cccc(c1)OCOC2CCCCC2 7a_100000210342_100011935260 [0,1,0,0,1,0|2,0,0]=4 9317 B17R2.5301 Brc1cccc(c1)SCCC2CCCCC2 62a_100000691529_100012355289 [0,1,0,0,1,0|2,0,0]=4 9318 B17R2.5301 Brc1cccc(c1)SCCC2CCCCC2 62a_100012355289_100000691529 [0,1,0,0,1,0|2,0,0]=4 9319 B17R2.5301 Brc1cccc(c1)SCOC2CCCCC2 62a_100000691529_100011935260 [0,1,0,0,1,0|2,0,0]=4 9320 B17R2.5301 Brc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000691529 [0,1,0,0,1,0|2,0,0]=4 9321 B17R2.5301 Brc1cccc(n1)CCOC2CCCCC2 34a_100010221043_100000210327 [0,1,0,0,1,0|2,0,0]=4 9322 B17R2.5301 Brc1cccc(n1)CCOC2CCCCC2 7a_100010221043_100000210327 [0,1,0,0,1,0|2,0,0]=4 9323 B17R2.5301 CC1CC(CCO1)NCCc2ccccc2 270004a_100000106460_100000755752 [0,1,0,0,1,0|1,0,0]=3 9324 B17R2.5301 CC1CC(CCO1)NCCc2ccccn2 270004a_100000211156_100000755752 [0,1,0,0,1,0|2,0,0]=4 9325 B17R2.5301 CC1CC(CCO1)NCCc2cccnc2 270004a_100000736294_100000755752 [0,1,0,0,1,0|2,0,0]=4 9326 B17R2.5301 CC1CC(CCO1)NCCc2ccncc2 270004a_100000742849_100000755752 [0,1,0,0,1,0|2,0,0]=4 9327 B17R2.5301 CC1CC(CCO1)OCCc2ccccc2 34a_100011986385_100000765856 [0,1,0,0,1,0|2,0,0]=4 9328 B17R2.5301 CC1CC(CCO1)OCCc2ccccc2 7a_100011986385_100000765856 [0,1,0,0,1,0|2,0,0]=4 9329 B17R2.5301 CC1CCCC(C1)NCCc2ccccc2 2230a_100011194320_100000765856 [0,1,0,0,1,0|0,0,0]=2 9330 B17R2.5301 CC1CCCC(C1)NCCc2ccccc2 270004a_100000106460_100000183594 [0,1,0,0,1,0|0,0,0]=2 9331 B17R2.5301 CC1CCCC(C1)NCCc2ccccc2 34a_100011194320_100000765856 [0,1,0,0,1,0|0,0,0]=2 9332 B17R2.5301 CC1CCCC(C1)NCCc2ccccn2 2230a_100011194320_100015183660 [0,1,0,0,1,0|1,0,0]=3 9333 B17R2.5301 CC1CCCC(C1)NCCc2ccccn2 270004a_100000211156_100000183594 [0,1,0,0,1,0|1,0,0]=3 9334 B17R2.5301 CC1CCCC(C1)NCCc2cccnc2 2230a_100011194320_200011713674 [0,1,0,0,1,0|1,0,0]=3 9335 B17R2.5301 CC1CCCC(C1)NCCc2cccnc2 270004a_100000736294_100000183594 [0,1,0,0,1,0|1,0,0]=3 9336 B17R2.5301 CC1CCCC(C1)NCCc2ccncc2 2230a_100011194320_100000723409 [0,1,0,0,1,0|1,0,0]=3 9337 B17R2.5301 CC1CCCC(C1)NCCc2ccncc2 270004a_100000742849_100000183594 [0,1,0,0,1,0|1,0,0]=3 9338 B17R2.5301 CC1CCCC(C1)NCCc2cnccn2 270004a_100000723456_100000183594 [0,1,0,0,1,0|2,0,0]=4 9339 B17R2.5301 CC1CCCC(C1)NCSc2ccccc2 2230a_100011194320_100011218342 [0,1,0,0,1,0|1,0,0]=3 9340 B17R2.5301 CC1CCCC(C1)OCCc2ccccc2 34a_100000211399_100000765856 [0,1,0,0,1,0|1,0,0]=3 9341 B17R2.5301 C[C@@H]1CC(CCN1)NCCc2ccccc2 270004a_100000106460_100016994030 [0,1,0,0,1,0|1,0,0]=3 9342 B17R2.5301 C[C@@H]1CC(CCN1)NCCc2ccccn2 270004a_100000211156_100016994030 [0,1,0,0,1,0|2,0,0]=4 9343 B17R2.5301 C[C@@H]1CC(CCN1)NCCc2cccnc2 270004a_100000736294_100016994030 [0,1,0,0,1,0|2,0,0]=4 9344 B17R2.5301 C[C@@H]1CC(CCN1)NCCc2ccncc2 270004a_100000742849_100016994030 [0,1,0,0,1,0|2,0,0]=4 9345 B17R2.5301 C[C@H]1CCCN(C1)CCCc2ccccc2 2230a_100000717927_100000211621 [0,1,0,0,1,0|2,0,0]=4 9346 B17R2.5301 C[C@H]1CCCN(C1)CCCc2ccccc2 269982a_100000717927_100000211621 [0,1,0,0,1,0|2,0,0]=4 9347 B17R2.5301 C[C@H]1CCCN(C1)CCCc2ccccc2 34a_100000717927_100000211621 [0,1,0,0,1,0|2,0,0]=4 9348 B17R2.5301 Cc1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000211157 [0,1,0,0,1,0|1,0,1]=4 9349 B17R2.5301 Cc1cccc(c1)CCNC2C=CCCC2 2230a_100000749837_100000751183 [0,1,0,0,1,0|0,0,2]=4 9350 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011713685 [0,1,0,0,1,0|0,0,0]=2 9351 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 270004a_100000749837_100000210434 [0,1,0,0,1,0|0,0,0]=2 9352 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011713685 [0,1,0,0,1,0|0,0,0]=2 9353 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 34a_100000749837_100000210327 [0,1,0,0,1,0|0,0,0]=2 9354 B17R2.5301 Cc1cccc(c1)CCNC2CCCOC2 2230a_100000719290_100011713685 [0,1,0,0,1,0|1,0,0]=3 9355 B17R2.5301 Cc1cccc(c1)CCNC2CCCOC2 270004a_100000749837_100000753404 [0,1,0,0,1,0|1,0,0]=3 9356 B17R2.5301 Cc1cccc(c1)CCNC2CCCOC2 34a_100000719290_100011713685 [0,1,0,0,1,0|1,0,0]=3 9357 B17R2.5301 Cc1cccc(c1)CCNC2CCCOC2 34a_100000749837_100000693364 [0,1,0,0,1,0|1,0,0]=3 9358 B17R2.5301 Cc1cccc(c1)CCNC2CCCSC2 270004a_100000749837_100000057913 [0,1,0,0,1,0|1,0,0]=3 9359 B17R2.5301 Cc1cccc(c1)CCNC2CCNCC2 270004a_100000749837_100015192401 [0,1,0,0,1,0|1,0,0]=3 9360 B17R2.5301 Cc1cccc(c1)CCNC2CCOCC2 2230a_100000741149_100011713685 [0,1,0,0,1,0|1,0,0]=3 9361 B17R2.5301 Cc1cccc(c1)CCNC2CCOCC2 270004a_100000749837_100011217826 [0,1,0,0,1,0|1,0,0]=3 9362 B17R2.5301 Cc1cccc(c1)CCNC2CCOCC2 34a_100000741149_100011713685 [0,1,0,0,1,0|1,0,0]=3 9363 B17R2.5301 Cc1cccc(c1)CCNC2CCSCC2 2230a_100000748639_100011713685 [0,1,0,0,1,0|1,0,0]=3 9364 B17R2.5301 Cc1cccc(c1)CCNC2CCSCC2 270004a_100000749837_100000203788 [0,1,0,0,1,0|1,0,0]=3 9365 B17R2.5301 Cc1cccc(c1)CCNC2CCSCC2 34a_100000748639_100011713685 [0,1,0,0,1,0|1,0,0]=3 9366 B17R2.5301 Cc1cccc(c1)CCNC2CCSCC2 34a_100000749837_100000069128 [0,1,0,0,1,0|1,0,0]=3 9367 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011713685 [0,1,0,0,1,0|1,0,0]=3 9368 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 34a_100011217157_100000210327 [0,1,0,0,1,0|1,0,0]=3 9369 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011713685 [0,1,0,0,1,0|1,0,0]=3 9370 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 7a_100011217157_100000210327 [0,1,0,0,1,0|1,0,0]=3 9371 B17R2.5301 Cc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011713685 [0,1,0,0,1,0|2,0,0]=4 9372 B17R2.5301 Cc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011713685 [0,1,0,0,1,0|2,0,0]=4 9373 B17R2.5301 Cc1cccc(c1)CCOC2CCCOC2 34a_100011217157_100000693364 [0,1,0,0,1,0|2,0,0]=4 9374 B17R2.5301 Cc1cccc(c1)CCOC2CCCOC2 7a_100011217157_100000693364 [0,1,0,0,1,0|2,0,0]=4 9375 B17R2.5301 Cc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011713685 [0,1,0,0,1,0|2,0,0]=4 9376 B17R2.5301 Cc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011713685 [0,1,0,0,1,0|2,0,0]=4 9377 B17R2.5301 Cc1cccc(c1)CCOC2CCOCC2 7a_100011217157_100000686592 [0,1,0,0,1,0|2,0,0]=4 9378 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011713685 [0,1,0,0,1,0|2,0,0]=4 9379 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 34a_100011217157_100000069128 [0,1,0,0,1,0|2,0,0]=4 9380 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011713685 [0,1,0,0,1,0|2,0,0]=4 9381 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 7a_100011217157_100011500858 [0,1,0,0,1,0|2,0,0]=4 9382 B17R2.5301 Cc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011713685 [0,1,0,0,1,0|1,0,0]=3 9383 B17R2.5301 Cc1cccc(c1)CCSC2CCCCC2 62a_100011713685_100000210327 [0,1,0,0,1,0|1,0,0]=3 9384 B17R2.5301 Cc1cccc(c1)CCSC2CCCOC2 62a_100011713685_100000693364 [0,1,0,0,1,0|2,0,0]=4 9385 B17R2.5301 Cc1cccc(c1)CCSC2CCOCC2 62a_100011713685_100011324220 [0,1,0,0,1,0|2,0,0]=4 9386 B17R2.5301 Cc1cccc(c1)CCSC2CCSCC2 62a_100011713685_100000069128 [0,1,0,0,1,0|2,0,0]=4 9387 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 207a_100000210473_100000211157 [0,1,0,0,1,0|2,0,0]=4 9388 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 2230a_100000185548_100000211423 [0,1,0,0,1,0|2,0,0]=4 9389 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 2230a_100000210473_100000211840 [0,1,0,0,1,0|2,0,0]=4 9390 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 269862a_100000185548_100000211278 [0,1,0,0,1,0|2,0,0]=4 9391 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 270004a_100000210473_100000211157 [0,1,0,0,1,0|2,0,0]=4 9392 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 34a_100000185548_100000211423 [0,1,0,0,1,0|2,0,0]=4 9393 B17R2.5301 Cc1cccc(c1)CNCC2CCCCC2 34a_100000210473_100000211840 [0,1,0,0,1,0|2,0,0]=4 9394 B17R2.5301 Cc1cccc(c1)COCC2CCCCC2 34a_100000212181_100000211840 [0,1,0,0,1,0|2,0,0]=4 9395 B17R2.5301 Cc1cccc(c1)COCC2CCCCC2 34a_100011217746_100000211423 [0,1,0,0,1,0|2,0,0]=4 9396 B17R2.5301 Cc1cccc(c1)COCC2CCCCC2 7a_100000212181_100000211840 [0,1,0,0,1,0|2,0,0]=4 9397 B17R2.5301 Cc1cccc(c1)COCC2CCCCC2 7a_100011217746_100000211423 [0,1,0,0,1,0|2,0,0]=4 9398 B17R2.5301 Cc1cccc(c1)CSCC2CCCCC2 62a_100000211423_100000211840 [0,1,0,0,1,0|2,0,0]=4 9399 B17R2.5301 Cc1cccc(c1)CSCC2CCCCC2 62a_100000211840_100000211423 [0,1,0,0,1,0|2,0,0]=4 9400 B17R2.5301 Cc1cccc(c1)NCCC2CCCCC2 2230a_100000188690_100012355289 [0,1,0,0,1,0|2,0,0]=4 9401 B17R2.5301 Cc1cccc(c1)NCCC2CCCCC2 34a_100000188690_100011209188 [0,1,0,0,1,0|2,0,0]=4 9402 B17R2.5301 Cc1cccc(c1)NCOC2CCCCC2 2230a_100000188690_100011935260 [0,1,0,0,1,0|2,0,0]=4 9403 B17R2.5301 Cc1cccc(c1)NCOC2CCCCC2 34a_100000188690_100011935260 [0,1,0,0,1,0|2,0,0]=4 9404 B17R2.5301 Cc1cccc(c1)OCCC2CCCCC2 34a_100000210337_100011209188 [0,1,0,0,1,0|2,0,0]=4 9405 B17R2.5301 Cc1cccc(c1)OCCC2CCCCC2 7a_100000210337_100011273959 [0,1,0,0,1,0|2,0,0]=4 9406 B17R2.5301 Cc1cccc(c1)OCOC2CCCCC2 34a_100000210337_100011935260 [0,1,0,0,1,0|2,0,0]=4 9407 B17R2.5301 Cc1cccc(c1)OCOC2CCCCC2 7a_100000210337_100011935260 [0,1,0,0,1,0|2,0,0]=4 9408 B17R2.5301 Cc1cccc(c1)SCCC2CCCCC2 62a_100011215228_100012355289 [0,1,0,0,1,0|2,0,0]=4 9409 B17R2.5301 Cc1cccc(c1)SCCC2CCCCC2 62a_100012355289_100011215228 [0,1,0,0,1,0|2,0,0]=4 9410 B17R2.5301 Cc1cccc(c1)SCOC2CCCCC2 62a_100011215228_100011935260 [0,1,0,0,1,0|2,0,0]=4 9411 B17R2.5301 Cc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100011215228 [0,1,0,0,1,0|2,0,0]=4 9412 B17R2.5301 Cc1cccc(n1)CCNC2CCCCC2 270004a_100011824523_100000210434 [0,1,0,0,1,0|1,0,0]=3 9413 B17R2.5301 Cc1cccc(n1)CCNC2CCCCC2 34a_100011824523_100000210327 [0,1,0,0,1,0|1,0,0]=3 9414 B17R2.5301 Cc1cccc(n1)CCNC2CCCOC2 270004a_100011824523_100000753404 [0,1,0,0,1,0|2,0,0]=4 9415 B17R2.5301 Cc1cccc(n1)CCNC2CCCOC2 34a_100011824523_100000693364 [0,1,0,0,1,0|2,0,0]=4 9416 B17R2.5301 Cc1cccc(n1)CCNC2CCCSC2 270004a_100011824523_100000057913 [0,1,0,0,1,0|2,0,0]=4 9417 B17R2.5301 Cc1cccc(n1)CCNC2CCNCC2 270004a_100011824523_100015192401 [0,1,0,0,1,0|2,0,0]=4 9418 B17R2.5301 Cc1cccc(n1)CCNC2CCOCC2 270004a_100011824523_100011217826 [0,1,0,0,1,0|2,0,0]=4 9419 B17R2.5301 Cc1cccc(n1)CCNC2CCSCC2 270004a_100011824523_100000203788 [0,1,0,0,1,0|2,0,0]=4 9420 B17R2.5301 Cc1cccc(n1)CCNC2CCSCC2 34a_100011824523_100000069128 [0,1,0,0,1,0|2,0,0]=4 9421 B17R2.5301 Clc1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000210801 [0,1,0,0,1,0|1,0,1]=4 9422 B17R2.5301 Clc1cccc(c1)CCNC2C=CCCC2 2230a_100000185263_100000751183 [0,1,0,0,1,0|0,0,2]=4 9423 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011713710 [0,1,0,0,1,0|0,0,0]=2 9424 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 270004a_100000185263_100000210434 [0,1,0,0,1,0|0,0,0]=2 9425 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011713710 [0,1,0,0,1,0|0,0,0]=2 9426 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 34a_100000185263_100000210327 [0,1,0,0,1,0|0,0,0]=2 9427 B17R2.5301 Clc1cccc(c1)CCNC2CCCOC2 2230a_100000719290_100011713710 [0,1,0,0,1,0|1,0,0]=3 9428 B17R2.5301 Clc1cccc(c1)CCNC2CCCOC2 270004a_100000185263_100000753404 [0,1,0,0,1,0|1,0,0]=3 9429 B17R2.5301 Clc1cccc(c1)CCNC2CCCOC2 34a_100000185263_100000693364 [0,1,0,0,1,0|1,0,0]=3 9430 B17R2.5301 Clc1cccc(c1)CCNC2CCCOC2 34a_100000719290_100011713710 [0,1,0,0,1,0|1,0,0]=3 9431 B17R2.5301 Clc1cccc(c1)CCNC2CCCSC2 270004a_100000185263_100000057913 [0,1,0,0,1,0|1,0,0]=3 9432 B17R2.5301 Clc1cccc(c1)CCNC2CCNCC2 270004a_100000185263_100015192401 [0,1,0,0,1,0|1,0,0]=3 9433 B17R2.5301 Clc1cccc(c1)CCNC2CCOCC2 2230a_100000741149_100011713710 [0,1,0,0,1,0|1,0,0]=3 9434 B17R2.5301 Clc1cccc(c1)CCNC2CCOCC2 270004a_100000185263_100011217826 [0,1,0,0,1,0|1,0,0]=3 9435 B17R2.5301 Clc1cccc(c1)CCNC2CCOCC2 34a_100000741149_100011713710 [0,1,0,0,1,0|1,0,0]=3 9436 B17R2.5301 Clc1cccc(c1)CCNC2CCSCC2 2230a_100000748639_100011713710 [0,1,0,0,1,0|1,0,0]=3 9437 B17R2.5301 Clc1cccc(c1)CCNC2CCSCC2 270004a_100000185263_100000203788 [0,1,0,0,1,0|1,0,0]=3 9438 B17R2.5301 Clc1cccc(c1)CCNC2CCSCC2 34a_100000185263_100000069128 [0,1,0,0,1,0|1,0,0]=3 9439 B17R2.5301 Clc1cccc(c1)CCNC2CCSCC2 34a_100000748639_100011713710 [0,1,0,0,1,0|1,0,0]=3 9440 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011713710 [0,1,0,0,1,0|1,0,0]=3 9441 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 34a_100000754733_100000210327 [0,1,0,0,1,0|1,0,0]=3 9442 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011713710 [0,1,0,0,1,0|1,0,0]=3 9443 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 7a_100000754733_100000210327 [0,1,0,0,1,0|1,0,0]=3 9444 B17R2.5301 Clc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011713710 [0,1,0,0,1,0|2,0,0]=4 9445 B17R2.5301 Clc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011713710 [0,1,0,0,1,0|2,0,0]=4 9446 B17R2.5301 Clc1cccc(c1)CCOC2CCCOC2 34a_100000754733_100000693364 [0,1,0,0,1,0|2,0,0]=4 9447 B17R2.5301 Clc1cccc(c1)CCOC2CCCOC2 7a_100000754733_100000693364 [0,1,0,0,1,0|2,0,0]=4 9448 B17R2.5301 Clc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011713710 [0,1,0,0,1,0|2,0,0]=4 9449 B17R2.5301 Clc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011713710 [0,1,0,0,1,0|2,0,0]=4 9450 B17R2.5301 Clc1cccc(c1)CCOC2CCOCC2 7a_100000754733_100000686592 [0,1,0,0,1,0|2,0,0]=4 9451 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011713710 [0,1,0,0,1,0|2,0,0]=4 9452 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 34a_100000754733_100000069128 [0,1,0,0,1,0|2,0,0]=4 9453 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011713710 [0,1,0,0,1,0|2,0,0]=4 9454 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 7a_100000754733_100011500858 [0,1,0,0,1,0|2,0,0]=4 9455 B17R2.5301 Clc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011713710 [0,1,0,0,1,0|1,0,0]=3 9456 B17R2.5301 Clc1cccc(c1)CCSC2CCCCC2 62a_100011713710_100000210327 [0,1,0,0,1,0|1,0,0]=3 9457 B17R2.5301 Clc1cccc(c1)CCSC2CCCOC2 62a_100011713710_100000693364 [0,1,0,0,1,0|2,0,0]=4 9458 B17R2.5301 Clc1cccc(c1)CCSC2CCOCC2 62a_100011713710_100011324220 [0,1,0,0,1,0|2,0,0]=4 9459 B17R2.5301 Clc1cccc(c1)CCSC2CCSCC2 62a_100011713710_100000069128 [0,1,0,0,1,0|2,0,0]=4 9460 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 207a_100000210473_100000210801 [0,1,0,0,1,0|2,0,0]=4 9461 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 2230a_100000174878_100000211423 [0,1,0,0,1,0|2,0,0]=4 9462 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 2230a_100000210473_100000181238 [0,1,0,0,1,0|2,0,0]=4 9463 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 269862a_100000174878_100000211278 [0,1,0,0,1,0|2,0,0]=4 9464 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 270004a_100000210473_100000210801 [0,1,0,0,1,0|2,0,0]=4 9465 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 34a_100000174878_100000211423 [0,1,0,0,1,0|2,0,0]=4 9466 B17R2.5301 Clc1cccc(c1)CNCC2CCCCC2 34a_100000210473_100000187163 [0,1,0,0,1,0|2,0,0]=4 9467 B17R2.5301 Clc1cccc(c1)COCC2CCCCC2 34a_100000212181_100000187163 [0,1,0,0,1,0|2,0,0]=4 9468 B17R2.5301 Clc1cccc(c1)COCC2CCCCC2 34a_100000241301_100000211423 [0,1,0,0,1,0|2,0,0]=4 9469 B17R2.5301 Clc1cccc(c1)COCC2CCCCC2 7a_100000212181_100000187163 [0,1,0,0,1,0|2,0,0]=4 9470 B17R2.5301 Clc1cccc(c1)COCC2CCCCC2 7a_100000241301_100000211423 [0,1,0,0,1,0|2,0,0]=4 9471 B17R2.5301 Clc1cccc(c1)CSCC2CCCCC2 62a_100000187163_100000211423 [0,1,0,0,1,0|2,0,0]=4 9472 B17R2.5301 Clc1cccc(c1)CSCC2CCCCC2 62a_100000211423_100000187163 [0,1,0,0,1,0|2,0,0]=4 9473 B17R2.5301 Clc1cccc(c1)NCCC2CCCCC2 34a_100000185859_100011209188 [0,1,0,0,1,0|2,0,0]=4 9474 B17R2.5301 Clc1cccc(c1)NCOC2CCCCC2 34a_100000185859_100011935260 [0,1,0,0,1,0|2,0,0]=4 9475 B17R2.5301 Clc1cccc(c1)OCCC2CCCCC2 34a_100000210295_100011209188 [0,1,0,0,1,0|2,0,0]=4 9476 B17R2.5301 Clc1cccc(c1)OCCC2CCCCC2 7a_100000210295_100011273959 [0,1,0,0,1,0|2,0,0]=4 9477 B17R2.5301 Clc1cccc(c1)OCOC2CCCCC2 34a_100000210295_100011935260 [0,1,0,0,1,0|2,0,0]=4 9478 B17R2.5301 Clc1cccc(c1)OCOC2CCCCC2 7a_100000210295_100011935260 [0,1,0,0,1,0|2,0,0]=4 9479 B17R2.5301 Clc1cccc(c1)SCCC2CCCCC2 62a_100000699651_100012355289 [0,1,0,0,1,0|2,0,0]=4 9480 B17R2.5301 Clc1cccc(c1)SCCC2CCCCC2 62a_100012355289_100000699651 [0,1,0,0,1,0|2,0,0]=4 9481 B17R2.5301 Clc1cccc(c1)SCOC2CCCCC2 62a_100000699651_100011935260 [0,1,0,0,1,0|2,0,0]=4 9482 B17R2.5301 Clc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000699651 [0,1,0,0,1,0|2,0,0]=4 9483 B17R2.5301 FC1CCCN(C1)CCCc2ccccc2 2230a_100000697950_100000211621 [0,1,0,0,1,0|2,0,0]=4 9484 B17R2.5301 FC1CCCN(C1)CCCc2ccccc2 269982a_100000697950_100000211621 [0,1,0,0,1,0|2,0,0]=4 9485 B17R2.5301 FC1CCCN(C1)CCCc2ccccc2 34a_100000697950_100000211621 [0,1,0,0,1,0|2,0,0]=4 9486 B17R2.5301 Fc1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000210812 [0,1,0,0,1,0|1,0,1]=4 9487 B17R2.5301 Fc1cccc(c1)CCNC2C=CCCC2 2230a_100000205154_100000751183 [0,1,0,0,1,0|0,0,2]=4 9488 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011217235 [0,1,0,0,1,0|0,0,0]=2 9489 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 270004a_100000205154_100000210434 [0,1,0,0,1,0|0,0,0]=2 9490 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011217235 [0,1,0,0,1,0|0,0,0]=2 9491 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 34a_100000205154_100000210327 [0,1,0,0,1,0|0,0,0]=2 9492 B17R2.5301 Fc1cccc(c1)CCNC2CCCOC2 2230a_100000719290_100011217235 [0,1,0,0,1,0|1,0,0]=3 9493 B17R2.5301 Fc1cccc(c1)CCNC2CCCOC2 270004a_100000205154_100000753404 [0,1,0,0,1,0|1,0,0]=3 9494 B17R2.5301 Fc1cccc(c1)CCNC2CCCOC2 34a_100000205154_100000693364 [0,1,0,0,1,0|1,0,0]=3 9495 B17R2.5301 Fc1cccc(c1)CCNC2CCCOC2 34a_100000719290_100011217235 [0,1,0,0,1,0|1,0,0]=3 9496 B17R2.5301 Fc1cccc(c1)CCNC2CCCSC2 270004a_100000205154_100000057913 [0,1,0,0,1,0|1,0,0]=3 9497 B17R2.5301 Fc1cccc(c1)CCNC2CCNCC2 270004a_100000205154_100015192401 [0,1,0,0,1,0|1,0,0]=3 9498 B17R2.5301 Fc1cccc(c1)CCNC2CCOCC2 2230a_100000741149_100011217235 [0,1,0,0,1,0|1,0,0]=3 9499 B17R2.5301 Fc1cccc(c1)CCNC2CCOCC2 270004a_100000205154_100011217826 [0,1,0,0,1,0|1,0,0]=3 9500 B17R2.5301 Fc1cccc(c1)CCNC2CCOCC2 34a_100000741149_100011217235 [0,1,0,0,1,0|1,0,0]=3 9501 B17R2.5301 Fc1cccc(c1)CCNC2CCSCC2 2230a_100000748639_100011217235 [0,1,0,0,1,0|1,0,0]=3 9502 B17R2.5301 Fc1cccc(c1)CCNC2CCSCC2 270004a_100000205154_100000203788 [0,1,0,0,1,0|1,0,0]=3 9503 B17R2.5301 Fc1cccc(c1)CCNC2CCSCC2 34a_100000205154_100000069128 [0,1,0,0,1,0|1,0,0]=3 9504 B17R2.5301 Fc1cccc(c1)CCNC2CCSCC2 34a_100000748639_100011217235 [0,1,0,0,1,0|1,0,0]=3 9505 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011217235 [0,1,0,0,1,0|1,0,0]=3 9506 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 34a_100000763591_100000210327 [0,1,0,0,1,0|1,0,0]=3 9507 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011217235 [0,1,0,0,1,0|1,0,0]=3 9508 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 7a_100000763591_100000210327 [0,1,0,0,1,0|1,0,0]=3 9509 B17R2.5301 Fc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011217235 [0,1,0,0,1,0|2,0,0]=4 9510 B17R2.5301 Fc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011217235 [0,1,0,0,1,0|2,0,0]=4 9511 B17R2.5301 Fc1cccc(c1)CCOC2CCCOC2 34a_100000763591_100000693364 [0,1,0,0,1,0|2,0,0]=4 9512 B17R2.5301 Fc1cccc(c1)CCOC2CCCOC2 7a_100000763591_100000693364 [0,1,0,0,1,0|2,0,0]=4 9513 B17R2.5301 Fc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011217235 [0,1,0,0,1,0|2,0,0]=4 9514 B17R2.5301 Fc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011217235 [0,1,0,0,1,0|2,0,0]=4 9515 B17R2.5301 Fc1cccc(c1)CCOC2CCOCC2 7a_100000763591_100000686592 [0,1,0,0,1,0|2,0,0]=4 9516 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011217235 [0,1,0,0,1,0|2,0,0]=4 9517 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 34a_100000763591_100000069128 [0,1,0,0,1,0|2,0,0]=4 9518 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011217235 [0,1,0,0,1,0|2,0,0]=4 9519 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 7a_100000763591_100011500858 [0,1,0,0,1,0|2,0,0]=4 9520 B17R2.5301 Fc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011217235 [0,1,0,0,1,0|1,0,0]=3 9521 B17R2.5301 Fc1cccc(c1)CCSC2CCCCC2 62a_100011217235_100000210327 [0,1,0,0,1,0|1,0,0]=3 9522 B17R2.5301 Fc1cccc(c1)CCSC2CCCOC2 62a_100011217235_100000693364 [0,1,0,0,1,0|2,0,0]=4 9523 B17R2.5301 Fc1cccc(c1)CCSC2CCOCC2 62a_100011217235_100011324220 [0,1,0,0,1,0|2,0,0]=4 9524 B17R2.5301 Fc1cccc(c1)CCSC2CCSCC2 62a_100011217235_100000069128 [0,1,0,0,1,0|2,0,0]=4 9525 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 207a_100000210473_100000210812 [0,1,0,0,1,0|2,0,0]=4 9526 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 2230a_100000174948_100000211423 [0,1,0,0,1,0|2,0,0]=4 9527 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 2230a_100000210473_100000230114 [0,1,0,0,1,0|2,0,0]=4 9528 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 269862a_100000174948_100000211278 [0,1,0,0,1,0|2,0,0]=4 9529 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 270004a_100000210473_100000210812 [0,1,0,0,1,0|2,0,0]=4 9530 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 34a_100000174948_100000211423 [0,1,0,0,1,0|2,0,0]=4 9531 B17R2.5301 Fc1cccc(c1)CNCC2CCCCC2 34a_100000210473_100000187166 [0,1,0,0,1,0|2,0,0]=4 9532 B17R2.5301 Fc1cccc(c1)COCC2CCCCC2 34a_100000210976_100000211423 [0,1,0,0,1,0|2,0,0]=4 9533 B17R2.5301 Fc1cccc(c1)COCC2CCCCC2 34a_100000212181_100000187166 [0,1,0,0,1,0|2,0,0]=4 9534 B17R2.5301 Fc1cccc(c1)COCC2CCCCC2 7a_100000210976_100000211423 [0,1,0,0,1,0|2,0,0]=4 9535 B17R2.5301 Fc1cccc(c1)COCC2CCCCC2 7a_100000212181_100000230114 [0,1,0,0,1,0|2,0,0]=4 9536 B17R2.5301 Fc1cccc(c1)CSCC2CCCCC2 62a_100000211423_100000230114 [0,1,0,0,1,0|2,0,0]=4 9537 B17R2.5301 Fc1cccc(c1)CSCC2CCCCC2 62a_100000230114_100000211423 [0,1,0,0,1,0|2,0,0]=4 9538 B17R2.5301 Fc1cccc(c1)NCCC2CCCCC2 34a_100000210047_100011209188 [0,1,0,0,1,0|2,0,0]=4 9539 B17R2.5301 Fc1cccc(c1)NCOC2CCCCC2 34a_100000210047_100011935260 [0,1,0,0,1,0|2,0,0]=4 9540 B17R2.5301 Fc1cccc(c1)OCCC2CCCCC2 34a_100000210426_100011209188 [0,1,0,0,1,0|2,0,0]=4 9541 B17R2.5301 Fc1cccc(c1)OCCC2CCCCC2 7a_100000210426_100011273959 [0,1,0,0,1,0|2,0,0]=4 9542 B17R2.5301 Fc1cccc(c1)OCOC2CCCCC2 34a_100000210426_100011935260 [0,1,0,0,1,0|2,0,0]=4 9543 B17R2.5301 Fc1cccc(c1)OCOC2CCCCC2 7a_100000210426_100011935260 [0,1,0,0,1,0|2,0,0]=4 9544 B17R2.5301 Fc1cccc(c1)SCCC2CCCCC2 62a_100000685547_100012355289 [0,1,0,0,1,0|2,0,0]=4 9545 B17R2.5301 Fc1cccc(c1)SCCC2CCCCC2 62a_100012355289_100000685547 [0,1,0,0,1,0|2,0,0]=4 9546 B17R2.5301 Fc1cccc(c1)SCOC2CCCCC2 62a_100000685547_100011935260 [0,1,0,0,1,0|2,0,0]=4 9547 B17R2.5301 Fc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000685547 [0,1,0,0,1,0|2,0,0]=4 9548 B17R2.5301 Ic1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000014684 [0,1,0,0,1,0|1,0,1]=4 9549 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 207a_100000210473_100000014684 [0,1,0,0,1,0|2,0,0]=4 9550 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 2230a_100000106179_100000211423 [0,1,0,0,1,0|2,0,0]=4 9551 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 2230a_100000210473_100011218688 [0,1,0,0,1,0|2,0,0]=4 9552 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 269862a_100000106179_100000211278 [0,1,0,0,1,0|2,0,0]=4 9553 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 270004a_100000210473_100000014684 [0,1,0,0,1,0|2,0,0]=4 9554 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 34a_100000106179_100000211423 [0,1,0,0,1,0|2,0,0]=4 9555 B17R2.5301 Ic1cccc(c1)CNCC2CCCCC2 34a_100000210473_100011218688 [0,1,0,0,1,0|2,0,0]=4 9556 B17R2.5301 Ic1cccc(c1)COCC2CCCCC2 34a_100000212181_100011218688 [0,1,0,0,1,0|2,0,0]=4 9557 B17R2.5301 Ic1cccc(c1)COCC2CCCCC2 34a_100011215336_100000211423 [0,1,0,0,1,0|2,0,0]=4 9558 B17R2.5301 Ic1cccc(c1)COCC2CCCCC2 7a_100000212181_100011218688 [0,1,0,0,1,0|2,0,0]=4 9559 B17R2.5301 Ic1cccc(c1)COCC2CCCCC2 7a_100011215336_100000211423 [0,1,0,0,1,0|2,0,0]=4 9560 B17R2.5301 Ic1cccc(c1)CSCC2CCCCC2 62a_100000211423_100011218688 [0,1,0,0,1,0|2,0,0]=4 9561 B17R2.5301 Ic1cccc(c1)CSCC2CCCCC2 62a_100011218688_100000211423 [0,1,0,0,1,0|2,0,0]=4 9562 B17R2.5301 Ic1cccc(c1)NCCC2CCCCC2 34a_100000211102_100011209188 [0,1,0,0,1,0|2,0,0]=4 9563 B17R2.5301 Ic1cccc(c1)NCOC2CCCCC2 34a_100000211102_100011935260 [0,1,0,0,1,0|2,0,0]=4 9564 B17R2.5301 Ic1cccc(c1)OCCC2CCCCC2 34a_100000211634_100011209188 [0,1,0,0,1,0|2,0,0]=4 9565 B17R2.5301 Ic1cccc(c1)OCCC2CCCCC2 7a_100000211634_100011273959 [0,1,0,0,1,0|2,0,0]=4 9566 B17R2.5301 Ic1cccc(c1)OCOC2CCCCC2 34a_100000211634_100011935260 [0,1,0,0,1,0|2,0,0]=4 9567 B17R2.5301 Ic1cccc(c1)OCOC2CCCCC2 7a_100000211634_100011935260 [0,1,0,0,1,0|2,0,0]=4 9568 B17R2.5301 Nc1cccc(c1)CCOC2CCCCC2 34a_100011996697_100000210327 [0,1,0,0,1,0|1,0,0]=3 9569 B17R2.5301 Nc1cccc(c1)CCOC2CCCOC2 34a_100011996697_100000693364 [0,1,0,0,1,0|2,0,0]=4 9570 B17R2.5301 Nc1cccc(c1)CCOC2CCSCC2 34a_100011996697_100000069128 [0,1,0,0,1,0|2,0,0]=4 9571 B17R2.5301 Nc1cccc(c1)COCC2CCCCC2 34a_100000211919_100000211423 [0,1,0,0,1,0|2,0,0]=4 9572 B17R2.5301 Nc1cccc(c1)OCCC2CCCCC2 34a_100000210217_100011209188 [0,1,0,0,1,0|2,0,0]=4 9573 B17R2.5301 Nc1cccc(c1)OCOC2CCCCC2 34a_100000210217_100011935260 [0,1,0,0,1,0|2,0,0]=4 9574 B17R2.5301 Nc1cccc(c1)SCCC2CCCCC2 62a_100000210019_100012355289 [0,1,0,0,1,0|2,0,0]=4 9575 B17R2.5301 Nc1cccc(c1)SCCC2CCCCC2 62a_100012355289_100000210019 [0,1,0,0,1,0|2,0,0]=4 9576 B17R2.5301 Nc1cccc(c1)SCOC2CCCCC2 62a_100000210019_100011935260 [0,1,0,0,1,0|2,0,0]=4 9577 B17R2.5301 Nc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000210019 [0,1,0,0,1,0|2,0,0]=4 9578 B17R2.5301 O=C1CC(CCN1)NCCc2ccccc2 2230a_100016994916_100000765856 [0,1,0,0,1,0|1,0,1]=4 9579 B17R2.5301 O=C1CC(CCN1)NCCc2ccccc2 34a_100016994916_100000765856 [0,1,0,0,1,0|1,0,1]=4 9580 B17R2.5301 O=C1CCCC(C1)OCCc2ccccc2 34a_100012613340_100000765856 [0,1,0,0,1,0|1,0,1]=4 9581 B17R2.5301 OC1CCCC(C1)CNCc2ccccc2 207a_100011254705_100015611070 [0,1,0,0,1,0|2,0,0]=4 9582 B17R2.5301 OC1CCCC(C1)CNCc2ccccc2 2230a_100011254705_100015291786 [0,1,0,0,1,0|2,0,0]=4 9583 B17R2.5301 OC1CCCC(C1)CNCc2ccccc2 270004a_100011254705_100015611070 [0,1,0,0,1,0|2,0,0]=4 9584 B17R2.5301 OC1CCCC(C1)NCCc2ccccc2 2230a_100015190357_100000765856 [0,1,0,0,1,0|0,0,0]=2 9585 B17R2.5301 OC1CCCC(C1)NCCc2ccccc2 270004a_100000106460_100012613340 [0,1,0,0,1,0|0,0,0]=2 9586 B17R2.5301 OC1CCCC(C1)NCCc2ccccn2 2230a_100015190357_100015183660 [0,1,0,0,1,0|1,0,0]=3 9587 B17R2.5301 OC1CCCC(C1)NCCc2ccccn2 270004a_100000211156_100012613340 [0,1,0,0,1,0|1,0,0]=3 9588 B17R2.5301 OC1CCCC(C1)NCCc2cccnc2 2230a_100015190357_200011713674 [0,1,0,0,1,0|1,0,0]=3 9589 B17R2.5301 OC1CCCC(C1)NCCc2cccnc2 270004a_100000736294_100012613340 [0,1,0,0,1,0|1,0,0]=3 9590 B17R2.5301 OC1CCCC(C1)NCCc2ccncc2 2230a_100015190357_100000723409 [0,1,0,0,1,0|1,0,0]=3 9591 B17R2.5301 OC1CCCC(C1)NCCc2ccncc2 270004a_100000742849_100012613340 [0,1,0,0,1,0|1,0,0]=3 9592 B17R2.5301 OC1CCCC(C1)NCCc2cnccn2 270004a_100000723456_100012613340 [0,1,0,0,1,0|2,0,0]=4 9593 B17R2.5301 OC1CCCC(C1)NCSc2ccccc2 2230a_100015190357_100011218342 [0,1,0,0,1,0|1,0,0]=3 9594 B17R2.5301 OC1CCCN(C1)CCCc2ccccc2 2230a_100000211013_100000211621 [0,1,0,0,1,0|2,0,0]=4 9595 B17R2.5301 OC1CCCN(C1)CCCc2ccccc2 269982a_100000211013_100000211621 [0,1,0,0,1,0|2,0,0]=4 9596 B17R2.5301 Oc1cccc(c1)C=NNC2CCCCC2 4a_100000709804_100000188321 [0,1,0,0,1,0|1,0,1]=4 9597 B17R2.5301 Oc1cccc(c1)CCNC2C=CCCC2 2230a_100000747277_100000751183 [0,1,0,0,1,0|0,0,2]=4 9598 B17R2.5301 Oc1cccc(c1)CCNC2CCCCC2 34a_100000747277_100000210327 [0,1,0,0,1,0|0,0,0]=2 9599 B17R2.5301 Oc1cccc(c1)CCNC2CCCOC2 34a_100000747277_100000693364 [0,1,0,0,1,0|1,0,0]=3 9600 B17R2.5301 Oc1cccc(c1)CCNC2CCSCC2 34a_100000747277_100000069128 [0,1,0,0,1,0|1,0,0]=3 9601 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 207a_100000210473_100000188321 [0,1,0,0,1,0|2,0,0]=4 9602 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 2230a_100000210473_100011660834 [0,1,0,0,1,0|2,0,0]=4 9603 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 2230a_100000743036_100000211423 [0,1,0,0,1,0|2,0,0]=4 9604 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 269862a_100000743036_100000211278 [0,1,0,0,1,0|2,0,0]=4 9605 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 270004a_100000210473_100000188321 [0,1,0,0,1,0|2,0,0]=4 9606 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 34a_100000210473_100011660834 [0,1,0,0,1,0|2,0,0]=4 9607 B17R2.5301 Oc1cccc(c1)CNCC2CCCCC2 34a_100000743036_100000211423 [0,1,0,0,1,0|2,0,0]=4 9608 B17R2.5301 Oc1cccc(c1)COCC2CCCCC2 34a_100000212181_100011660834 [0,1,0,0,1,0|2,0,0]=4 9609 B17R2.5301 Oc1cccc(c1)COCC2CCCCC2 7a_100000212181_100000084143 [0,1,0,0,1,0|2,0,0]=4 9610 B17R2.5301 Oc1cccc(c1)CSCC2CCCCC2 62a_100000211423_100011660834 [0,1,0,0,1,0|2,0,0]=4 9611 B17R2.5301 Oc1cccc(c1)CSCC2CCCCC2 62a_100011660834_100000211423 [0,1,0,0,1,0|2,0,0]=4 9612 B17R2.5301 Oc1cccc(c1)NCCC2CCCCC2 34a_100000210217_100011209188 [0,1,0,0,1,0|2,0,0]=4 9613 B17R2.5301 Oc1cccc(c1)NCOC2CCCCC2 34a_100000210217_100011935260 [0,1,0,0,1,0|2,0,0]=4 9614 B17R2.5301 Oc1cccc(c1)SCCC2CCCCC2 62a_100012355289_100000211634 [0,1,0,0,1,0|2,0,0]=4 9615 B17R2.5301 Oc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000211634 [0,1,0,0,1,0|2,0,0]=4 9616 B17R2.5301 [S]c1cccc(c1)SCCC2CCCCC2 62a_100012355289_114929384022 [0,1,0,0,1,0|2,0,0]=4 9617 B17R2.5301 [S]c1cccc(c1)SCCC2CCCCC2 62a_114929384022_100012355289 [0,1,0,0,1,0|2,0,0]=4 9618 B17R2.5301 [S]c1cccc(c1)SCOC2CCCCC2 62a_100011935260_114929384022 [0,1,0,0,1,0|2,0,0]=4 9619 B17R2.5301 [S]c1cccc(c1)SCOC2CCCCC2 62a_114929384022_100011935260 [0,1,0,0,1,0|2,0,0]=4 9620 B17R2.24812 CC1(CCCCC1)CNCc2ccccc2 207a_100000706052_100015611070 [0,1,0,0,1,0|2,0,0]=4 9621 B17R2.24812 CC1(CCCCC1)CNCc2ccccc2 2230a_100000706052_100015291786 [0,1,0,0,1,0|2,0,0]=4 9622 B17R2.24812 CC1(CCCCC1)CNCc2ccccc2 269862a_100015324214_100011935227 [0,1,0,0,1,0|2,0,0]=4 9623 B17R2.24812 CC1(CCCCC1)CNCc2ccccc2 270004a_100000706052_100015611070 [0,1,0,0,1,0|2,0,0]=4 9624 B17R2.24812 CC1(CCCCC1)CNCc2ccccc2 34a_100000706052_100015291786 [0,1,0,0,1,0|2,0,0]=4 9625 B17R2.24812 CC1(CCCCC1)COCc2ccccc2 34a_100000688186_100015291786 [0,1,0,0,1,0|2,0,0]=4 9626 B17R2.24812 CC1(CCCCC1)COCc2ccccc2 7a_100000688186_100000211182 [0,1,0,0,1,0|2,0,0]=4 9627 B17R2.24812 CC1(CCCCC1)NCCc2ccccc2 2230a_100000741114_100000765856 [0,1,0,0,1,0|0,0,0]=2 9628 B17R2.24812 CC1(CCCCC1)NCCc2ccccc2 34a_100000741114_100000765856 [0,1,0,0,1,0|0,0,0]=2 9629 B17R2.24812 CC1(CCCCC1)NCCc2ccccn2 2230a_100000741114_100015183660 [0,1,0,0,1,0|1,0,0]=3 9630 B17R2.24812 CC1(CCCCC1)NCCc2cccnc2 2230a_100000741114_200011713674 [0,1,0,0,1,0|1,0,0]=3 9631 B17R2.24812 CC1(CCCCC1)NCCc2ccncc2 2230a_100000741114_100000723409 [0,1,0,0,1,0|1,0,0]=3 9632 B17R2.24812 CC1(CCCCC1)NCSc2ccccc2 2230a_100000741114_100011218342 [0,1,0,0,1,0|1,0,0]=3 9633 B17R2.24812 CC1(CCCCC1)OCCc2ccccc2 34a_100011215885_100000765856 [0,1,0,0,1,0|1,0,0]=3 9634 B17R2.24812 CC1(CCCCC1)OCCc2ccccc2 7a_100011215885_100000765856 [0,1,0,0,1,0|1,0,0]=3 9635 B17R2.24812 CC1(CCCCC1)OCCc2ccccn2 7a_100011215885_100015183660 [0,1,0,0,1,0|2,0,0]=4 9636 B17R2.24812 CC1(CCCCC1)OCCc2cccnc2 7a_100011215885_200011713674 [0,1,0,0,1,0|2,0,0]=4 9637 B17R2.24812 CC1(CCCCC1)OCCc2ccncc2 7a_100011215885_100000723409 [0,1,0,0,1,0|2,0,0]=4 9638 B17R2.24812 CC1(CCOCC1)NCCc2ccccc2 2230a_100000692449_100000765856 [0,1,0,0,1,0|1,0,0]=3 9639 B17R2.24812 CC1(CCOCC1)NCCc2ccccc2 34a_100000692449_100000765856 [0,1,0,0,1,0|1,0,0]=3 9640 B17R2.24812 CC1(CCOCC1)NCCc2ccccn2 2230a_100000692449_100015183660 [0,1,0,0,1,0|2,0,0]=4 9641 B17R2.24812 CC1(CCOCC1)NCCc2cccnc2 2230a_100000692449_200011713674 [0,1,0,0,1,0|2,0,0]=4 9642 B17R2.24812 CC1(CCOCC1)NCCc2ccncc2 2230a_100000692449_100000723409 [0,1,0,0,1,0|2,0,0]=4 9643 B17R2.24812 CC1(CCOCC1)NCSc2ccccc2 2230a_100000692449_100011218342 [0,1,0,0,1,0|2,0,0]=4 9644 B17R2.24812 CC1(CCOCC1)OCCc2ccccc2 34a_100011827762_100000765856 [0,1,0,0,1,0|2,0,0]=4 9645 B17R2.24812 CC1(CCOCC1)OCCc2ccccc2 7a_100011827762_100000765856 [0,1,0,0,1,0|2,0,0]=4 9646 B17R2.24812 CC1(CCSCC1)OCCc2ccccc2 34a_200011004327_100000765856 [0,1,0,0,1,0|2,0,0]=4 9647 B17R2.24812 CC1(CCSCC1)OCCc2ccccc2 7a_200011004327_100000765856 [0,1,0,0,1,0|2,0,0]=4 9648 B17R2.24812 FC1(CCCCC1)COCc2ccccc2 34a_100000090305_100015291786 [0,1,0,0,1,0|2,0,0]=4 9649 B17R2.24812 FC1(CCCCC1)COCc2ccccc2 7a_100000090305_100000211182 [0,1,0,0,1,0|2,0,0]=4 9650 B17R2.24812 NC1(CCCCC1)COCc2ccccc2 34a_100000740034_100015291786 [0,1,0,0,1,0|2,0,0]=4 9651 B17R2.24812 OC1(CCCCC1)CNCc2ccccc2 207a_100000748649_100015611070 [0,1,0,0,1,0|2,0,0]=4 9652 B17R2.24812 OC1(CCCCC1)CNCc2ccccc2 2230a_100000748649_100015291786 [0,1,0,0,1,0|2,0,0]=4 9653 B17R2.24812 OC1(CCCCC1)CNCc2ccccc2 270004a_100000748649_100015611070 [0,1,0,0,1,0|2,0,0]=4 9654 B17R2.24812 OC1(CCCCC1)CNCc2ccccc2 34a_100000748649_100015291786 [0,1,0,0,1,0|2,0,0]=4 9655 B17R2.3395 O=C1CCCCCC1OCc2ccccc2 7a_100000210790_100000243696 [0,1,0,0,1,0|1,0,1]=4 9656 B17R2.3395 O=C1CCCCCC1SCc2ccccc2 62a_100000211182_100000243696 [0,1,0,0,1,0|1,0,1]=4 9657 B17R2.3395 O=C1CCCCCC1SCc2ccccc2 62a_100000243696_100015291786 [0,1,0,0,1,0|1,0,1]=4 9658 B17R2.3395 O=C1NCCCCC1NCc2ccccc2 207a_100000698827_100015611070 [0,1,0,0,1,0|1,0,1]=4 9659 B17R2.3395 O=C1NCCCCC1NCc2ccccc2 2230a_100000698827_100015291786 [0,1,0,0,1,0|1,0,1]=4 9660 B17R2.3395 O=C1NCCCCC1NCc2ccccc2 2230a_100015324214_100000735217 [0,1,0,0,1,0|1,0,1]=4 9661 B17R2.3395 O=C1NCCCCC1NCc2ccccc2 270004a_100000698827_100015611070 [0,1,0,0,1,0|1,0,1]=4 9662 B17R2.3395 O=C1NCCCCC1NCc2ccccc2 34a_100000698827_100015291786 [0,1,0,0,1,0|1,0,1]=4 9663 B17R2.19530 Brc1cc(ccn1)CNC2CCCCCC2 2230a_100000210984_100010243470 [0,1,0,0,1,0|1,0,0]=3 9664 B17R2.19530 Brc1cc(ccn1)CNC2CCCCCC2 270004a_100000210984_100009814634 [0,1,0,0,1,0|1,0,0]=3 9665 B17R2.19530 Brc1cc(ccn1)CNC2CCCCCC2 270004a_100025757509_100000210131 [0,1,0,0,1,0|1,0,0]=3 9666 B17R2.19530 Brc1cc(ccn1)CNC2CCCCCC2 34a_100000210984_100010243470 [0,1,0,0,1,0|1,0,0]=3 9667 B17R2.19530 Brc1cc(ccn1)CNC2CCCCCC2 34a_100025757509_100011217769 [0,1,0,0,1,0|1,0,0]=3 9668 B17R2.19530 Brc1cc(ccn1)CNC2CCCNCC2 270004a_100025757509_100015187895 [0,1,0,0,1,0|2,0,0]=4 9669 B17R2.19530 Brc1cc(ccn1)COC2CCCCCC2 34a_100000210887_100010243470 [0,1,0,0,1,0|2,0,0]=4 9670 B17R2.19530 Brc1cc(ccn1)COC2CCCCCC2 34a_100009814636_100011217769 [0,1,0,0,1,0|2,0,0]=4 9671 B17R2.19530 Brc1cc(ccn1)COC2CCCCCC2 7a_100000210887_100010254460 [0,1,0,0,1,0|2,0,0]=4 9672 B17R2.19530 Brc1cc(ccn1)CSC2CCCCCC2 62a_100010254460_100011217769 [0,1,0,0,1,0|2,0,0]=4 9673 B17R2.19530 Brc1cc(ccn1)CSC2CCCCCC2 62a_100011217769_100010243470 [0,1,0,0,1,0|2,0,0]=4 9674 B17R2.19530 Brc1cc(ccn1)SCC2CCCCCC2 62a_100009814637_200000696569 [0,1,0,0,1,0|2,0,0]=4 9675 B17R2.19530 Brc1cc(ccn1)SCC2CCCCCC2 62a_200000696569_100009814637 [0,1,0,0,1,0|2,0,0]=4 9676 B17R2.19530 Brc1cccc(c1)CCN2CCCCCC2 2230a_100000185865_100011740638 [0,1,0,0,1,0|1,0,0]=3 9677 B17R2.19530 Brc1cccc(c1)CCN2CCCCCC2 269982a_100000185865_100011740638 [0,1,0,0,1,0|1,0,0]=3 9678 B17R2.19530 Brc1cccc(c1)CCN2CCCCCC2 34a_100000185865_100011740638 [0,1,0,0,1,0|1,0,0]=3 9679 B17R2.19530 Brc1cccc(c1)CCN2CCCOCC2 2230a_100000685342_100011740638 [0,1,0,0,1,0|2,0,0]=4 9680 B17R2.19530 Brc1cccc(c1)CCN2CCCOCC2 269982a_100000685342_100011740638 [0,1,0,0,1,0|2,0,0]=4 9681 B17R2.19530 Brc1cccc(c1)CCN2CCCOCC2 34a_100000685342_100011740638 [0,1,0,0,1,0|2,0,0]=4 9682 B17R2.19530 Brc1cccc(c1)CNC2CCCCCC2 207a_100000210984_100000210085 [0,1,0,0,1,0|0,0,0]=2 9683 B17R2.19530 Brc1cccc(c1)CNC2CCCCCC2 2230a_100000210984_100000698116 [0,1,0,0,1,0|0,0,0]=2 9684 B17R2.19530 Brc1cccc(c1)CNC2CCCCCC2 270004a_100000174977_100000210131 [0,1,0,0,1,0|0,0,0]=2 9685 B17R2.19530 Brc1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100000210085 [0,1,0,0,1,0|0,0,0]=2 9686 B17R2.19530 Brc1cccc(c1)CNC2CCCCCC2 34a_100000174977_100011217769 [0,1,0,0,1,0|0,0,0]=2 9687 B17R2.19530 Brc1cccc(c1)CNC2CCCCCC2 34a_100000210984_100000698116 [0,1,0,0,1,0|0,0,0]=2 9688 B17R2.19530 Brc1cccc(c1)CNC2CCCNCC2 270004a_100000174977_100015187895 [0,1,0,0,1,0|1,0,0]=3 9689 B17R2.19530 Brc1cccc(c1)CNC2CSCCSC2 270004a_100000174977_100000068409 [0,1,0,0,1,0|2,0,0]=4 9690 B17R2.19530 Brc1cccc(c1)COC2CCCCCC2 34a_100000210887_100000698116 [0,1,0,0,1,0|1,0,0]=3 9691 B17R2.19530 Brc1cccc(c1)COC2CCCCCC2 34a_100000687537_100011217769 [0,1,0,0,1,0|1,0,0]=3 9692 B17R2.19530 Brc1cccc(c1)COC2CCCCCC2 7a_100000210887_100000211773 [0,1,0,0,1,0|1,0,0]=3 9693 B17R2.19530 Brc1cccc(c1)CSC2CCCCCC2 62a_100000211773_100011217769 [0,1,0,0,1,0|1,0,0]=3 9694 B17R2.19530 Brc1cccc(c1)CSC2CCCCCC2 62a_100011217769_100000211773 [0,1,0,0,1,0|1,0,0]=3 9695 B17R2.19530 Brc1cccc(c1)NCC2CCCCCC2 34a_100000210019_200000696569 [0,1,0,0,1,0|1,0,0]=3 9696 B17R2.19530 Brc1cccc(c1)OCC2CCCCCC2 34a_100000210342_200000696569 [0,1,0,0,1,0|1,0,0]=3 9697 B17R2.19530 Brc1cccc(c1)OCC2CCCCCC2 7a_100000210342_200000696569 [0,1,0,0,1,0|1,0,0]=3 9698 B17R2.19530 Brc1cccc(c1)SCC2CCCCCC2 62a_100000691529_200000696569 [0,1,0,0,1,0|1,0,0]=3 9699 B17R2.19530 Brc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100000691529 [0,1,0,0,1,0|1,0,0]=3 9700 B17R2.19530 Brc1cccc(n1)CNC2CCCCCC2 2230a_100000210984_100009889011 [0,1,0,0,1,0|1,0,0]=3 9701 B17R2.19530 Brc1cccc(n1)CNC2CCCCCC2 270004a_100000210984_100000688028 [0,1,0,0,1,0|1,0,0]=3 9702 B17R2.19530 Brc1cccc(n1)CNC2CCCCCC2 34a_100000210984_100009889011 [0,1,0,0,1,0|1,0,0]=3 9703 B17R2.19530 Brc1cccc(n1)COC2CCCCCC2 34a_100000210887_100009889011 [0,1,0,0,1,0|2,0,0]=4 9704 B17R2.19530 Brc1cccc(n1)COC2CCCCCC2 34a_100000694195_100011217769 [0,1,0,0,1,0|2,0,0]=4 9705 B17R2.19530 Brc1cccc(n1)COC2CCCCCC2 7a_100000210887_100009889011 [0,1,0,0,1,0|2,0,0]=4 9706 B17R2.19530 Brc1cccc(n1)CSC2CCCCCC2 62a_100009889011_100011217769 [0,1,0,0,1,0|2,0,0]=4 9707 B17R2.19530 Brc1cccc(n1)CSC2CCCCCC2 62a_100011217769_100009889011 [0,1,0,0,1,0|2,0,0]=4 9708 B17R2.19530 Brc1cccc(n1)SCC2CCCCCC2 62a_100000684672_200000696569 [0,1,0,0,1,0|2,0,0]=4 9709 B17R2.19530 Brc1cccc(n1)SCC2CCCCCC2 62a_200000696569_100000684672 [0,1,0,0,1,0|2,0,0]=4 9710 B17R2.19530 Brc1ccnc(c1)CNC2CCCCCC2 2230a_100000210984_100010173614 [0,1,0,0,1,0|1,0,0]=3 9711 B17R2.19530 Brc1ccnc(c1)CNC2CCCCCC2 270004a_100000210984_100009818557 [0,1,0,0,1,0|1,0,0]=3 9712 B17R2.19530 Brc1ccnc(c1)CNC2CCCCCC2 34a_100000210984_100010173614 [0,1,0,0,1,0|1,0,0]=3 9713 B17R2.19530 Brc1ccnc(c1)COC2CCCCCC2 34a_100000210887_100010173614 [0,1,0,0,1,0|2,0,0]=4 9714 B17R2.19530 Brc1ccnc(c1)COC2CCCCCC2 7a_100000210887_100010173614 [0,1,0,0,1,0|2,0,0]=4 9715 B17R2.19530 Brc1ccnc(c1)CSC2CCCCCC2 62a_100010173614_100011217769 [0,1,0,0,1,0|2,0,0]=4 9716 B17R2.19530 Brc1ccnc(c1)CSC2CCCCCC2 62a_100011217769_100010173614 [0,1,0,0,1,0|2,0,0]=4 9717 B17R2.19530 Brc1cncc(c1)CNC2CCCCCC2 207a_100000210984_100000687066 [0,1,0,0,1,0|1,0,0]=3 9718 B17R2.19530 Brc1cncc(c1)CNC2CCCCCC2 2230a_100000210984_100000738771 [0,1,0,0,1,0|1,0,0]=3 9719 B17R2.19530 Brc1cncc(c1)CNC2CCCCCC2 270004a_100000210984_100000687066 [0,1,0,0,1,0|1,0,0]=3 9720 B17R2.19530 Brc1cncc(c1)CNC2CCCCCC2 270004a_100011249555_100000210131 [0,1,0,0,1,0|1,0,0]=3 9721 B17R2.19530 Brc1cncc(c1)CNC2CCCCCC2 34a_100000210984_100000738771 [0,1,0,0,1,0|1,0,0]=3 9722 B17R2.19530 Brc1cncc(c1)CNC2CCCNCC2 270004a_100011249555_100015187895 [0,1,0,0,1,0|2,0,0]=4 9723 B17R2.19530 Brc1cncc(c1)COC2CCCCCC2 34a_100000210887_100000738771 [0,1,0,0,1,0|2,0,0]=4 9724 B17R2.19530 Brc1cncc(c1)COC2CCCCCC2 34a_100011259137_100011217769 [0,1,0,0,1,0|2,0,0]=4 9725 B17R2.19530 Brc1cncc(c1)COC2CCCCCC2 7a_100000210887_100000738771 [0,1,0,0,1,0|2,0,0]=4 9726 B17R2.19530 Brc1cncc(c1)CSC2CCCCCC2 62a_100000738771_100011217769 [0,1,0,0,1,0|2,0,0]=4 9727 B17R2.19530 Brc1cncc(c1)CSC2CCCCCC2 62a_100011217769_100000738771 [0,1,0,0,1,0|2,0,0]=4 9728 B17R2.19530 Brc1cncc(c1)OCC2CCCCCC2 34a_100000754920_200000696569 [0,1,0,0,1,0|2,0,0]=4 9729 B17R2.19530 Brc1cncc(c1)OCC2CCCCCC2 7a_100000754920_200000696569 [0,1,0,0,1,0|2,0,0]=4 9730 B17R2.19530 Brc1cncc(c1)SCC2CCCCCC2 62a_100000728054_200000696569 [0,1,0,0,1,0|2,0,0]=4 9731 B17R2.19530 Brc1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000728054 [0,1,0,0,1,0|2,0,0]=4 9732 B17R2.19530 C[n+]1cccc(c1)SCC2CCCCCC2 62a_100009996589_200000696569 [0,1,0,0,1,0|2,0,0]=4 9733 B17R2.19530 C[n+]1cccc(c1)SCC2CCCCCC2 62a_200000696569_100009996589 [0,1,0,0,1,0|2,0,0]=4 9734 B17R2.19530 Cc1cc(ccn1)CNC2CCCCCC2 207a_100000210984_100011361630 [0,1,0,0,1,0|1,0,0]=3 9735 B17R2.19530 Cc1cc(ccn1)CNC2CCCCCC2 2230a_100000210984_200020672517 [0,1,0,0,1,0|1,0,0]=3 9736 B17R2.19530 Cc1cc(ccn1)CNC2CCCCCC2 270004a_100000210984_100011361630 [0,1,0,0,1,0|1,0,0]=3 9737 B17R2.19530 Cc1cc(ccn1)CNC2CCCCCC2 270004a_100011934566_100000210131 [0,1,0,0,1,0|1,0,0]=3 9738 B17R2.19530 Cc1cc(ccn1)CNC2CCCCCC2 34a_100000210984_200020672517 [0,1,0,0,1,0|1,0,0]=3 9739 B17R2.19530 Cc1cc(ccn1)CNC2CCCCCC2 34a_100011934566_100011217769 [0,1,0,0,1,0|1,0,0]=3 9740 B17R2.19530 Cc1cc(ccn1)CNC2CCCNCC2 270004a_100011934566_100015187895 [0,1,0,0,1,0|2,0,0]=4 9741 B17R2.19530 Cc1cc(ccn1)COC2CCCCCC2 34a_100000210887_200020672517 [0,1,0,0,1,0|2,0,0]=4 9742 B17R2.19530 Cc1cc(ccn1)COC2CCCCCC2 34a_100011998630_100011217769 [0,1,0,0,1,0|2,0,0]=4 9743 B17R2.19530 Cc1cc(ccn1)COC2CCCCCC2 7a_100000210887_200020672517 [0,1,0,0,1,0|2,0,0]=4 9744 B17R2.19530 Cc1cc(ccn1)CSC2CCCCCC2 62a_100011217769_200020672517 [0,1,0,0,1,0|2,0,0]=4 9745 B17R2.19530 Cc1cc(ccn1)CSC2CCCCCC2 62a_200020672517_100011217769 [0,1,0,0,1,0|2,0,0]=4 9746 B17R2.19530 Cc1cc(ccn1)NCC2CCCCCC2 27a_100015204231_100000758586 [0,1,0,0,1,0|2,0,0]=4 9747 B17R2.19530 Cc1cc(ccn1)OCC2CCCCCC2 34a_100000688365_200000696569 [0,1,0,0,1,0|2,0,0]=4 9748 B17R2.19530 Cc1cc(ccn1)SCC2CCCCCC2 62a_100000758586_200000696569 [0,1,0,0,1,0|2,0,0]=4 9749 B17R2.19530 Cc1cc(ccn1)SCC2CCCCCC2 62a_200000696569_100000758586 [0,1,0,0,1,0|2,0,0]=4 9750 B17R2.19530 Cc1cccc(c1)CCN2CCCCCC2 2230a_100000185865_100011713685 [0,1,0,0,1,0|1,0,0]=3 9751 B17R2.19530 Cc1cccc(c1)CCN2CCCCCC2 269982a_100000185865_100011713685 [0,1,0,0,1,0|1,0,0]=3 9752 B17R2.19530 Cc1cccc(c1)CCN2CCCCCC2 34a_100000185865_100011713685 [0,1,0,0,1,0|1,0,0]=3 9753 B17R2.19530 Cc1cccc(c1)CCN2CCCOCC2 2230a_100000685342_100011713685 [0,1,0,0,1,0|2,0,0]=4 9754 B17R2.19530 Cc1cccc(c1)CCN2CCCOCC2 269982a_100000685342_100011713685 [0,1,0,0,1,0|2,0,0]=4 9755 B17R2.19530 Cc1cccc(c1)CCN2CCCOCC2 34a_100000685342_100011713685 [0,1,0,0,1,0|2,0,0]=4 9756 B17R2.19530 Cc1cccc(c1)CNC2CCCCCC2 207a_100000210984_100000211157 [0,1,0,0,1,0|0,0,0]=2 9757 B17R2.19530 Cc1cccc(c1)CNC2CCCCCC2 2230a_100000210984_100000211840 [0,1,0,0,1,0|0,0,0]=2 9758 B17R2.19530 Cc1cccc(c1)CNC2CCCCCC2 270004a_100000185548_100000210131 [0,1,0,0,1,0|0,0,0]=2 9759 B17R2.19530 Cc1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100000211157 [0,1,0,0,1,0|0,0,0]=2 9760 B17R2.19530 Cc1cccc(c1)CNC2CCCCCC2 34a_100000185548_100011217769 [0,1,0,0,1,0|0,0,0]=2 9761 B17R2.19530 Cc1cccc(c1)CNC2CCCCCC2 34a_100000210984_100000211840 [0,1,0,0,1,0|0,0,0]=2 9762 B17R2.19530 Cc1cccc(c1)CNC2CCCNCC2 270004a_100000185548_100015187895 [0,1,0,0,1,0|1,0,0]=3 9763 B17R2.19530 Cc1cccc(c1)CNC2CSCCSC2 270004a_100000185548_100000068409 [0,1,0,0,1,0|2,0,0]=4 9764 B17R2.19530 Cc1cccc(c1)COC2CCCCCC2 34a_100000210887_100000211840 [0,1,0,0,1,0|1,0,0]=3 9765 B17R2.19530 Cc1cccc(c1)COC2CCCCCC2 34a_100011217746_100011217769 [0,1,0,0,1,0|1,0,0]=3 9766 B17R2.19530 Cc1cccc(c1)COC2CCCCCC2 7a_100000210887_100000211840 [0,1,0,0,1,0|1,0,0]=3 9767 B17R2.19530 Cc1cccc(c1)CSC2CCCCCC2 62a_100000211840_100011217769 [0,1,0,0,1,0|1,0,0]=3 9768 B17R2.19530 Cc1cccc(c1)CSC2CCCCCC2 62a_100011217769_100000211840 [0,1,0,0,1,0|1,0,0]=3 9769 B17R2.19530 Cc1cccc(c1)NCC2CCCCCC2 2230a_100000188690_200000696569 [0,1,0,0,1,0|1,0,0]=3 9770 B17R2.19530 Cc1cccc(c1)NCC2CCCCCC2 34a_100000188690_200000696569 [0,1,0,0,1,0|1,0,0]=3 9771 B17R2.19530 Cc1cccc(c1)OCC2CCCCCC2 34a_100000210337_200000696569 [0,1,0,0,1,0|1,0,0]=3 9772 B17R2.19530 Cc1cccc(c1)OCC2CCCCCC2 7a_100000210337_200000696569 [0,1,0,0,1,0|1,0,0]=3 9773 B17R2.19530 Cc1cccc(c1)SCC2CCCCCC2 62a_100011215228_200000696569 [0,1,0,0,1,0|1,0,0]=3 9774 B17R2.19530 Cc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100011215228 [0,1,0,0,1,0|1,0,0]=3 9775 B17R2.19530 Cc1cccc(n1)CNC2CCCCCC2 207a_100000210984_100011215050 [0,1,0,0,1,0|1,0,0]=3 9776 B17R2.19530 Cc1cccc(n1)CNC2CCCCCC2 2230a_100000210984_100000757606 [0,1,0,0,1,0|1,0,0]=3 9777 B17R2.19530 Cc1cccc(n1)CNC2CCCCCC2 270004a_100000210984_100011215050 [0,1,0,0,1,0|1,0,0]=3 9778 B17R2.19530 Cc1cccc(n1)CNC2CCCCCC2 34a_100000210984_100000757606 [0,1,0,0,1,0|1,0,0]=3 9779 B17R2.19530 Cc1cccc(n1)CNC2CCCCCC2 34a_100000701342_100011217769 [0,1,0,0,1,0|1,0,0]=3 9780 B17R2.19530 Cc1cccc(n1)COC2CCCCCC2 34a_100000210887_100000757606 [0,1,0,0,1,0|2,0,0]=4 9781 B17R2.19530 Cc1cccc(n1)COC2CCCCCC2 34a_100000690600_100011217769 [0,1,0,0,1,0|2,0,0]=4 9782 B17R2.19530 Cc1cccc(n1)COC2CCCCCC2 7a_100000210887_100000757606 [0,1,0,0,1,0|2,0,0]=4 9783 B17R2.19530 Cc1cccc(n1)CSC2CCCCCC2 62a_100000757606_100011217769 [0,1,0,0,1,0|2,0,0]=4 9784 B17R2.19530 Cc1cccc(n1)CSC2CCCCCC2 62a_100011217769_100000757606 [0,1,0,0,1,0|2,0,0]=4 9785 B17R2.19530 Cc1cccc(n1)SCC2CCCCCC2 62a_100000742759_200000696569 [0,1,0,0,1,0|2,0,0]=4 9786 B17R2.19530 Cc1cccc(n1)SCC2CCCCCC2 62a_200000696569_100000742759 [0,1,0,0,1,0|2,0,0]=4 9787 B17R2.19530 Cc1ccnc(c1)CNC2CCCCCC2 207a_100000210984_100011361488 [0,1,0,0,1,0|1,0,0]=3 9788 B17R2.19530 Cc1ccnc(c1)CNC2CCCCCC2 2230a_100000210984_100000718516 [0,1,0,0,1,0|1,0,0]=3 9789 B17R2.19530 Cc1ccnc(c1)CNC2CCCCCC2 270004a_100000210984_100011361488 [0,1,0,0,1,0|1,0,0]=3 9790 B17R2.19530 Cc1ccnc(c1)CNC2CCCCCC2 34a_100000210984_100000718516 [0,1,0,0,1,0|1,0,0]=3 9791 B17R2.19530 Cc1ccnc(c1)COC2CCCCCC2 34a_100000210887_100000718516 [0,1,0,0,1,0|2,0,0]=4 9792 B17R2.19530 Cc1ccnc(c1)COC2CCCCCC2 34a_100011998357_100011217769 [0,1,0,0,1,0|2,0,0]=4 9793 B17R2.19530 Cc1ccnc(c1)COC2CCCCCC2 7a_100000210887_100000718516 [0,1,0,0,1,0|2,0,0]=4 9794 B17R2.19530 Cc1ccnc(c1)CSC2CCCCCC2 62a_100000718516_100011217769 [0,1,0,0,1,0|2,0,0]=4 9795 B17R2.19530 Cc1ccnc(c1)CSC2CCCCCC2 62a_100011217769_100000718516 [0,1,0,0,1,0|2,0,0]=4 9796 B17R2.19530 Cc1ccnc(c1)SCC2CCCCCC2 62a_100000750283_200000696569 [0,1,0,0,1,0|2,0,0]=4 9797 B17R2.19530 Cc1ccnc(c1)SCC2CCCCCC2 62a_200000696569_100000750283 [0,1,0,0,1,0|2,0,0]=4 9798 B17R2.19530 Cc1cncc(c1)CNC2CCCCCC2 207a_100000210984_100011998712 [0,1,0,0,1,0|1,0,0]=3 9799 B17R2.19530 Cc1cncc(c1)CNC2CCCCCC2 2230a_100000210984_100000716715 [0,1,0,0,1,0|1,0,0]=3 9800 B17R2.19530 Cc1cncc(c1)CNC2CCCCCC2 270004a_100000210984_100011998712 [0,1,0,0,1,0|1,0,0]=3 9801 B17R2.19530 Cc1cncc(c1)CNC2CCCCCC2 270004a_100000692839_100000210131 [0,1,0,0,1,0|1,0,0]=3 9802 B17R2.19530 Cc1cncc(c1)CNC2CCCCCC2 34a_100000210984_100000716715 [0,1,0,0,1,0|1,0,0]=3 9803 B17R2.19530 Cc1cncc(c1)CNC2CCCCCC2 34a_100000692839_100011217769 [0,1,0,0,1,0|1,0,0]=3 9804 B17R2.19530 Cc1cncc(c1)CNC2CCCNCC2 270004a_100000692839_100015187895 [0,1,0,0,1,0|2,0,0]=4 9805 B17R2.19530 Cc1cncc(c1)COC2CCCCCC2 34a_100000210887_100000716715 [0,1,0,0,1,0|2,0,0]=4 9806 B17R2.19530 Cc1cncc(c1)COC2CCCCCC2 34a_100011998709_100011217769 [0,1,0,0,1,0|2,0,0]=4 9807 B17R2.19530 Cc1cncc(c1)COC2CCCCCC2 7a_100000210887_100000716715 [0,1,0,0,1,0|2,0,0]=4 9808 B17R2.19530 Cc1cncc(c1)CSC2CCCCCC2 62a_100000716715_100011217769 [0,1,0,0,1,0|2,0,0]=4 9809 B17R2.19530 Cc1cncc(c1)CSC2CCCCCC2 62a_100011217769_100000716715 [0,1,0,0,1,0|2,0,0]=4 9810 B17R2.19530 Cc1cncc(c1)OCC2CCCCCC2 34a_100011830280_200000696569 [0,1,0,0,1,0|2,0,0]=4 9811 B17R2.19530 Cc1cncc(c1)OCC2CCCCCC2 7a_100011830280_200000696569 [0,1,0,0,1,0|2,0,0]=4 9812 B17R2.19530 Cc1cncc(c1)SCC2CCCCCC2 62a_100000760492_200000696569 [0,1,0,0,1,0|2,0,0]=4 9813 B17R2.19530 Cc1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000760492 [0,1,0,0,1,0|2,0,0]=4 9814 B17R2.19530 Cc1cncc(n1)CNC2CCCCCC2 207a_100000210984_100000100294 [0,1,0,0,1,0|2,0,0]=4 9815 B17R2.19530 Cc1cncc(n1)CNC2CCCCCC2 270004a_100000210984_100000100294 [0,1,0,0,1,0|2,0,0]=4 9816 B17R2.19530 Cc1nccc(n1)CNC2CCCCCC2 270004a_100000210984_100011361539 [0,1,0,0,1,0|2,0,0]=4 9817 B17R2.19530 Clc1cc(ccn1)CNC2CCCCCC2 2230a_100000210984_100000764220 [0,1,0,0,1,0|1,0,0]=3 9818 B17R2.19530 Clc1cc(ccn1)CNC2CCCCCC2 270004a_100000210984_100011290808 [0,1,0,0,1,0|1,0,0]=3 9819 B17R2.19530 Clc1cc(ccn1)CNC2CCCCCC2 270004a_100015205668_100000210131 [0,1,0,0,1,0|1,0,0]=3 9820 B17R2.19530 Clc1cc(ccn1)CNC2CCCCCC2 34a_100000210984_100000764220 [0,1,0,0,1,0|1,0,0]=3 9821 B17R2.19530 Clc1cc(ccn1)CNC2CCCCCC2 34a_100015205668_100011217769 [0,1,0,0,1,0|1,0,0]=3 9822 B17R2.19530 Clc1cc(ccn1)CNC2CCCNCC2 270004a_100015205668_100015187895 [0,1,0,0,1,0|2,0,0]=4 9823 B17R2.19530 Clc1cc(ccn1)COC2CCCCCC2 34a_100000210887_100000764220 [0,1,0,0,1,0|2,0,0]=4 9824 B17R2.19530 Clc1cc(ccn1)COC2CCCCCC2 34a_100000748751_100011217769 [0,1,0,0,1,0|2,0,0]=4 9825 B17R2.19530 Clc1cc(ccn1)COC2CCCCCC2 7a_100000210887_100000764220 [0,1,0,0,1,0|2,0,0]=4 9826 B17R2.19530 Clc1cc(ccn1)CSC2CCCCCC2 62a_100000764220_100011217769 [0,1,0,0,1,0|2,0,0]=4 9827 B17R2.19530 Clc1cc(ccn1)CSC2CCCCCC2 62a_100011217769_100000764220 [0,1,0,0,1,0|2,0,0]=4 9828 B17R2.19530 Clc1cc(ccn1)OCC2CCCCCC2 34a_100000762945_200000696569 [0,1,0,0,1,0|2,0,0]=4 9829 B17R2.19530 Clc1cc(ccn1)SCC2CCCCCC2 62a_100000035001_200000696569 [0,1,0,0,1,0|2,0,0]=4 9830 B17R2.19530 Clc1cc(ccn1)SCC2CCCCCC2 62a_200000696569_100000035001 [0,1,0,0,1,0|2,0,0]=4 9831 B17R2.19530 Clc1cccc(c1)CCN2CCCCCC2 2230a_100000185865_100011713710 [0,1,0,0,1,0|1,0,0]=3 9832 B17R2.19530 Clc1cccc(c1)CCN2CCCCCC2 269982a_100000185865_100011713710 [0,1,0,0,1,0|1,0,0]=3 9833 B17R2.19530 Clc1cccc(c1)CCN2CCCCCC2 34a_100000185865_100011713710 [0,1,0,0,1,0|1,0,0]=3 9834 B17R2.19530 Clc1cccc(c1)CCN2CCCOCC2 2230a_100000685342_100011713710 [0,1,0,0,1,0|2,0,0]=4 9835 B17R2.19530 Clc1cccc(c1)CCN2CCCOCC2 269982a_100000685342_100011713710 [0,1,0,0,1,0|2,0,0]=4 9836 B17R2.19530 Clc1cccc(c1)CCN2CCCOCC2 34a_100000685342_100011713710 [0,1,0,0,1,0|2,0,0]=4 9837 B17R2.19530 Clc1cccc(c1)CNC2CCCCCC2 207a_100000210984_100000210801 [0,1,0,0,1,0|0,0,0]=2 9838 B17R2.19530 Clc1cccc(c1)CNC2CCCCCC2 2230a_100000210984_100000181238 [0,1,0,0,1,0|0,0,0]=2 9839 B17R2.19530 Clc1cccc(c1)CNC2CCCCCC2 270004a_100000174878_100000210131 [0,1,0,0,1,0|0,0,0]=2 9840 B17R2.19530 Clc1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100000210801 [0,1,0,0,1,0|0,0,0]=2 9841 B17R2.19530 Clc1cccc(c1)CNC2CCCCCC2 34a_100000174878_100011217769 [0,1,0,0,1,0|0,0,0]=2 9842 B17R2.19530 Clc1cccc(c1)CNC2CCCCCC2 34a_100000210984_100000187163 [0,1,0,0,1,0|0,0,0]=2 9843 B17R2.19530 Clc1cccc(c1)CNC2CCCNCC2 270004a_100000174878_100015187895 [0,1,0,0,1,0|1,0,0]=3 9844 B17R2.19530 Clc1cccc(c1)CNC2CSCCSC2 270004a_100000174878_100000068409 [0,1,0,0,1,0|2,0,0]=4 9845 B17R2.19530 Clc1cccc(c1)COC2CCCCCC2 34a_100000210887_100000187163 [0,1,0,0,1,0|1,0,0]=3 9846 B17R2.19530 Clc1cccc(c1)COC2CCCCCC2 34a_100000241301_100011217769 [0,1,0,0,1,0|1,0,0]=3 9847 B17R2.19530 Clc1cccc(c1)COC2CCCCCC2 7a_100000210887_100000187163 [0,1,0,0,1,0|1,0,0]=3 9848 B17R2.19530 Clc1cccc(c1)CSC2CCCCCC2 62a_100000187163_100011217769 [0,1,0,0,1,0|1,0,0]=3 9849 B17R2.19530 Clc1cccc(c1)CSC2CCCCCC2 62a_100011217769_100000187163 [0,1,0,0,1,0|1,0,0]=3 9850 B17R2.19530 Clc1cccc(c1)NCC2CCCCCC2 34a_100000185859_200000696569 [0,1,0,0,1,0|1,0,0]=3 9851 B17R2.19530 Clc1cccc(c1)OCC2CCCCCC2 34a_100000210295_200000696569 [0,1,0,0,1,0|1,0,0]=3 9852 B17R2.19530 Clc1cccc(c1)OCC2CCCCCC2 7a_100000210295_200000696569 [0,1,0,0,1,0|1,0,0]=3 9853 B17R2.19530 Clc1cccc(c1)SCC2CCCCCC2 62a_100000699651_200000696569 [0,1,0,0,1,0|1,0,0]=3 9854 B17R2.19530 Clc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100000699651 [0,1,0,0,1,0|1,0,0]=3 9855 B17R2.19530 Clc1cccc(n1)CNC2CCCCCC2 2230a_100000210984_100000086093 [0,1,0,0,1,0|1,0,0]=3 9856 B17R2.19530 Clc1cccc(n1)CNC2CCCCCC2 270004a_100000210984_100011361687 [0,1,0,0,1,0|1,0,0]=3 9857 B17R2.19530 Clc1cccc(n1)CNC2CCCCCC2 34a_100000210984_100000086093 [0,1,0,0,1,0|1,0,0]=3 9858 B17R2.19530 Clc1cccc(n1)COC2CCCCCC2 34a_100000210887_100000086093 [0,1,0,0,1,0|2,0,0]=4 9859 B17R2.19530 Clc1cccc(n1)COC2CCCCCC2 34a_100011998359_100011217769 [0,1,0,0,1,0|2,0,0]=4 9860 B17R2.19530 Clc1cccc(n1)COC2CCCCCC2 7a_100000210887_100000086093 [0,1,0,0,1,0|2,0,0]=4 9861 B17R2.19530 Clc1cccc(n1)CSC2CCCCCC2 62a_100000086093_100011217769 [0,1,0,0,1,0|2,0,0]=4 9862 B17R2.19530 Clc1cccc(n1)CSC2CCCCCC2 62a_100011217769_100000086093 [0,1,0,0,1,0|2,0,0]=4 9863 B17R2.19530 Clc1cccc(n1)SCC2CCCCCC2 62a_100000051397_200000696569 [0,1,0,0,1,0|2,0,0]=4 9864 B17R2.19530 Clc1cccc(n1)SCC2CCCCCC2 62a_200000696569_100000051397 [0,1,0,0,1,0|2,0,0]=4 9865 B17R2.19530 Clc1ccnc(c1)CNC2CCCCCC2 2230a_100000210984_100016988179 [0,1,0,0,1,0|1,0,0]=3 9866 B17R2.19530 Clc1ccnc(c1)CNC2CCCCCC2 270004a_100000210984_100011998288 [0,1,0,0,1,0|1,0,0]=3 9867 B17R2.19530 Clc1ccnc(c1)CNC2CCCCCC2 34a_100000210984_100016988179 [0,1,0,0,1,0|1,0,0]=3 9868 B17R2.19530 Clc1ccnc(c1)COC2CCCCCC2 34a_100000210887_100016988179 [0,1,0,0,1,0|2,0,0]=4 9869 B17R2.19530 Clc1ccnc(c1)COC2CCCCCC2 34a_100000748867_100011217769 [0,1,0,0,1,0|2,0,0]=4 9870 B17R2.19530 Clc1ccnc(c1)COC2CCCCCC2 7a_100000210887_100016988179 [0,1,0,0,1,0|2,0,0]=4 9871 B17R2.19530 Clc1ccnc(c1)CSC2CCCCCC2 62a_100011217769_100016988179 [0,1,0,0,1,0|2,0,0]=4 9872 B17R2.19530 Clc1ccnc(c1)CSC2CCCCCC2 62a_100016988179_100011217769 [0,1,0,0,1,0|2,0,0]=4 9873 B17R2.19530 Clc1ccnc(c1)SCC2CCCCCC2 62a_100010167805_200000696569 [0,1,0,0,1,0|2,0,0]=4 9874 B17R2.19530 Clc1ccnc(c1)SCC2CCCCCC2 62a_200000696569_100010167805 [0,1,0,0,1,0|2,0,0]=4 9875 B17R2.19530 Clc1cncc(c1)CNC2CCCCCC2 207a_100000210984_100000088910 [0,1,0,0,1,0|1,0,0]=3 9876 B17R2.19530 Clc1cncc(c1)CNC2CCCCCC2 2230a_100000210984_100016992070 [0,1,0,0,1,0|1,0,0]=3 9877 B17R2.19530 Clc1cncc(c1)CNC2CCCCCC2 270004a_100000210984_100000088910 [0,1,0,0,1,0|1,0,0]=3 9878 B17R2.19530 Clc1cncc(c1)CNC2CCCCCC2 270004a_200020614424_100000210131 [0,1,0,0,1,0|1,0,0]=3 9879 B17R2.19530 Clc1cncc(c1)CNC2CCCCCC2 34a_100000210984_100016992070 [0,1,0,0,1,0|1,0,0]=3 9880 B17R2.19530 Clc1cncc(c1)CNC2CCCNCC2 270004a_200020614424_100015187895 [0,1,0,0,1,0|2,0,0]=4 9881 B17R2.19530 Clc1cncc(c1)COC2CCCCCC2 34a_100000092867_100011217769 [0,1,0,0,1,0|2,0,0]=4 9882 B17R2.19530 Clc1cncc(c1)COC2CCCCCC2 34a_100000210887_100016992070 [0,1,0,0,1,0|2,0,0]=4 9883 B17R2.19530 Clc1cncc(c1)COC2CCCCCC2 7a_100000210887_100016992070 [0,1,0,0,1,0|2,0,0]=4 9884 B17R2.19530 Clc1cncc(c1)CSC2CCCCCC2 62a_100011217769_100016992070 [0,1,0,0,1,0|2,0,0]=4 9885 B17R2.19530 Clc1cncc(c1)CSC2CCCCCC2 62a_100016992070_100011217769 [0,1,0,0,1,0|2,0,0]=4 9886 B17R2.19530 Clc1cncc(c1)OCC2CCCCCC2 7a_100000032511_200000696569 [0,1,0,0,1,0|2,0,0]=4 9887 B17R2.19530 Clc1cncc(c1)SCC2CCCCCC2 62a_100000049639_200000696569 [0,1,0,0,1,0|2,0,0]=4 9888 B17R2.19530 Clc1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000049639 [0,1,0,0,1,0|2,0,0]=4 9889 B17R2.19530 Clc1nccc(n1)CNC2CCCCCC2 2230a_100000210984_100000099655 [0,1,0,0,1,0|2,0,0]=4 9890 B17R2.19530 Clc1nccc(n1)CNC2CCCCCC2 34a_100000210984_100000099655 [0,1,0,0,1,0|2,0,0]=4 9891 B17R2.19530 Fc1cc(ccn1)CNC2CCCCCC2 270004a_100000210984_100000068331 [0,1,0,0,1,0|1,0,0]=3 9892 B17R2.19530 Fc1cc(ccn1)CNC2CCCCCC2 270004a_100015188774_100000210131 [0,1,0,0,1,0|1,0,0]=3 9893 B17R2.19530 Fc1cc(ccn1)CNC2CCCCCC2 34a_100015188774_100011217769 [0,1,0,0,1,0|1,0,0]=3 9894 B17R2.19530 Fc1cc(ccn1)CNC2CCCNCC2 270004a_100015188774_100015187895 [0,1,0,0,1,0|2,0,0]=4 9895 B17R2.19530 Fc1cc(ccn1)COC2CCCCCC2 34a_100000082451_100011217769 [0,1,0,0,1,0|2,0,0]=4 9896 B17R2.19530 Fc1cc(ccn1)NCC2CCCCCC2 27a_100015204231_100009816116 [0,1,0,0,1,0|2,0,0]=4 9897 B17R2.19530 Fc1cc(ccn1)OCC2CCCCCC2 34a_100000732698_200000696569 [0,1,0,0,1,0|2,0,0]=4 9898 B17R2.19530 Fc1cc(ccn1)SCC2CCCCCC2 62a_100009816116_200000696569 [0,1,0,0,1,0|2,0,0]=4 9899 B17R2.19530 Fc1cc(ccn1)SCC2CCCCCC2 62a_200000696569_100009816116 [0,1,0,0,1,0|2,0,0]=4 9900 B17R2.19530 Fc1cccc(c1)CCN2CCCCCC2 2230a_100000185865_100011217235 [0,1,0,0,1,0|1,0,0]=3 9901 B17R2.19530 Fc1cccc(c1)CCN2CCCCCC2 269982a_100000185865_100011217235 [0,1,0,0,1,0|1,0,0]=3 9902 B17R2.19530 Fc1cccc(c1)CCN2CCCCCC2 34a_100000185865_100011217235 [0,1,0,0,1,0|1,0,0]=3 9903 B17R2.19530 Fc1cccc(c1)CCN2CCCOCC2 2230a_100000685342_100011217235 [0,1,0,0,1,0|2,0,0]=4 9904 B17R2.19530 Fc1cccc(c1)CCN2CCCOCC2 269982a_100000685342_100011217235 [0,1,0,0,1,0|2,0,0]=4 9905 B17R2.19530 Fc1cccc(c1)CCN2CCCOCC2 34a_100000685342_100011217235 [0,1,0,0,1,0|2,0,0]=4 9906 B17R2.19530 Fc1cccc(c1)CNC2CCCCCC2 207a_100000210984_100000210812 [0,1,0,0,1,0|0,0,0]=2 9907 B17R2.19530 Fc1cccc(c1)CNC2CCCCCC2 2230a_100000210984_100000230114 [0,1,0,0,1,0|0,0,0]=2 9908 B17R2.19530 Fc1cccc(c1)CNC2CCCCCC2 270004a_100000174948_100000210131 [0,1,0,0,1,0|0,0,0]=2 9909 B17R2.19530 Fc1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100000210812 [0,1,0,0,1,0|0,0,0]=2 9910 B17R2.19530 Fc1cccc(c1)CNC2CCCCCC2 34a_100000174948_100011217769 [0,1,0,0,1,0|0,0,0]=2 9911 B17R2.19530 Fc1cccc(c1)CNC2CCCCCC2 34a_100000210984_100000187166 [0,1,0,0,1,0|0,0,0]=2 9912 B17R2.19530 Fc1cccc(c1)CNC2CCCNCC2 270004a_100000174948_100015187895 [0,1,0,0,1,0|1,0,0]=3 9913 B17R2.19530 Fc1cccc(c1)CNC2CSCCSC2 270004a_100000174948_100000068409 [0,1,0,0,1,0|2,0,0]=4 9914 B17R2.19530 Fc1cccc(c1)COC2CCCCCC2 34a_100000210887_100000187166 [0,1,0,0,1,0|1,0,0]=3 9915 B17R2.19530 Fc1cccc(c1)COC2CCCCCC2 34a_100000210976_100011217769 [0,1,0,0,1,0|1,0,0]=3 9916 B17R2.19530 Fc1cccc(c1)COC2CCCCCC2 7a_100000210887_100000230114 [0,1,0,0,1,0|1,0,0]=3 9917 B17R2.19530 Fc1cccc(c1)CSC2CCCCCC2 62a_100000230114_100011217769 [0,1,0,0,1,0|1,0,0]=3 9918 B17R2.19530 Fc1cccc(c1)CSC2CCCCCC2 62a_100011217769_100000230114 [0,1,0,0,1,0|1,0,0]=3 9919 B17R2.19530 Fc1cccc(c1)NCC2CCCCCC2 34a_100000210047_200000696569 [0,1,0,0,1,0|1,0,0]=3 9920 B17R2.19530 Fc1cccc(c1)OCC2CCCCCC2 34a_100000210426_200000696569 [0,1,0,0,1,0|1,0,0]=3 9921 B17R2.19530 Fc1cccc(c1)OCC2CCCCCC2 7a_100000210426_200000696569 [0,1,0,0,1,0|1,0,0]=3 9922 B17R2.19530 Fc1cccc(c1)SCC2CCCCCC2 62a_100000685547_200000696569 [0,1,0,0,1,0|1,0,0]=3 9923 B17R2.19530 Fc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100000685547 [0,1,0,0,1,0|1,0,0]=3 9924 B17R2.19530 Fc1cccc(n1)CNC2CCCCCC2 2230a_100000210984_100009819644 [0,1,0,0,1,0|1,0,0]=3 9925 B17R2.19530 Fc1cccc(n1)CNC2CCCCCC2 270004a_100000210984_100000050434 [0,1,0,0,1,0|1,0,0]=3 9926 B17R2.19530 Fc1cccc(n1)CNC2CCCCCC2 34a_100000210984_100009819644 [0,1,0,0,1,0|1,0,0]=3 9927 B17R2.19530 Fc1cccc(n1)CNC2CCCCCC2 34a_100015188798_100011217769 [0,1,0,0,1,0|1,0,0]=3 9928 B17R2.19530 Fc1cccc(n1)COC2CCCCCC2 34a_100000086748_100011217769 [0,1,0,0,1,0|2,0,0]=4 9929 B17R2.19530 Fc1cccc(n1)COC2CCCCCC2 34a_100000210887_100009819644 [0,1,0,0,1,0|2,0,0]=4 9930 B17R2.19530 Fc1cccc(n1)COC2CCCCCC2 7a_100000210887_100009819644 [0,1,0,0,1,0|2,0,0]=4 9931 B17R2.19530 Fc1cccc(n1)CSC2CCCCCC2 62a_100009819644_100011217769 [0,1,0,0,1,0|2,0,0]=4 9932 B17R2.19530 Fc1cccc(n1)CSC2CCCCCC2 62a_100011217769_100009819644 [0,1,0,0,1,0|2,0,0]=4 9933 B17R2.19530 Fc1cccc(n1)NCC2CCCCCC2 27a_100015204231_100009815982 [0,1,0,0,1,0|2,0,0]=4 9934 B17R2.19530 Fc1cccc(n1)OCC2CCCCCC2 34a_100011432558_200000696569 [0,1,0,0,1,0|2,0,0]=4 9935 B17R2.19530 Fc1cccc(n1)SCC2CCCCCC2 62a_100009815982_200000696569 [0,1,0,0,1,0|2,0,0]=4 9936 B17R2.19530 Fc1cccc(n1)SCC2CCCCCC2 62a_200000696569_100009815982 [0,1,0,0,1,0|2,0,0]=4 9937 B17R2.19530 Fc1ccnc(c1)NCC2CCCCCC2 27a_100015204231_100000764206 [0,1,0,0,1,0|2,0,0]=4 9938 B17R2.19530 Fc1ccnc(c1)SCC2CCCCCC2 62a_100000764206_200000696569 [0,1,0,0,1,0|2,0,0]=4 9939 B17R2.19530 Fc1ccnc(c1)SCC2CCCCCC2 62a_200000696569_100000764206 [0,1,0,0,1,0|2,0,0]=4 9940 B17R2.19530 Fc1cncc(c1)CNC2CCCCCC2 207a_100000210984_100011361476 [0,1,0,0,1,0|1,0,0]=3 9941 B17R2.19530 Fc1cncc(c1)CNC2CCCCCC2 2230a_100000210984_100000725299 [0,1,0,0,1,0|1,0,0]=3 9942 B17R2.19530 Fc1cncc(c1)CNC2CCCCCC2 270004a_100000210984_100011361476 [0,1,0,0,1,0|1,0,0]=3 9943 B17R2.19530 Fc1cncc(c1)CNC2CCCCCC2 270004a_100011962886_100000210131 [0,1,0,0,1,0|1,0,0]=3 9944 B17R2.19530 Fc1cncc(c1)CNC2CCCCCC2 34a_100000210984_100000725299 [0,1,0,0,1,0|1,0,0]=3 9945 B17R2.19530 Fc1cncc(c1)CNC2CCCCCC2 34a_100011962886_100011217769 [0,1,0,0,1,0|1,0,0]=3 9946 B17R2.19530 Fc1cncc(c1)CNC2CCCNCC2 270004a_100011962886_100015187895 [0,1,0,0,1,0|2,0,0]=4 9947 B17R2.19530 Fc1cncc(c1)COC2CCCCCC2 34a_100000210887_100000725299 [0,1,0,0,1,0|2,0,0]=4 9948 B17R2.19530 Fc1cncc(c1)COC2CCCCCC2 34a_100011962875_100011217769 [0,1,0,0,1,0|2,0,0]=4 9949 B17R2.19530 Fc1cncc(c1)COC2CCCCCC2 7a_100000210887_100000725299 [0,1,0,0,1,0|2,0,0]=4 9950 B17R2.19530 Fc1cncc(c1)CSC2CCCCCC2 62a_100000725299_100011217769 [0,1,0,0,1,0|2,0,0]=4 9951 B17R2.19530 Fc1cncc(c1)CSC2CCCCCC2 62a_100011217769_100000725299 [0,1,0,0,1,0|2,0,0]=4 9952 B17R2.19530 Fc1cncc(c1)OCC2CCCCCC2 34a_100011830296_200000696569 [0,1,0,0,1,0|2,0,0]=4 9953 B17R2.19530 Fc1cncc(c1)OCC2CCCCCC2 7a_100011830296_200000696569 [0,1,0,0,1,0|2,0,0]=4 9954 B17R2.19530 Fc1cncc(c1)SCC2CCCCCC2 62a_100000744099_200000696569 [0,1,0,0,1,0|2,0,0]=4 9955 B17R2.19530 Fc1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000744099 [0,1,0,0,1,0|2,0,0]=4 9956 B17R2.19530 Ic1cccc(c1)CNC2CCCCCC2 207a_100000210984_100000014684 [0,1,0,0,1,0|0,0,0]=2 9957 B17R2.19530 Ic1cccc(c1)CNC2CCCCCC2 2230a_100000210984_100011218688 [0,1,0,0,1,0|0,0,0]=2 9958 B17R2.19530 Ic1cccc(c1)CNC2CCCCCC2 270004a_100000106179_100000210131 [0,1,0,0,1,0|0,0,0]=2 9959 B17R2.19530 Ic1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100000014684 [0,1,0,0,1,0|0,0,0]=2 9960 B17R2.19530 Ic1cccc(c1)CNC2CCCCCC2 34a_100000106179_100011217769 [0,1,0,0,1,0|0,0,0]=2 9961 B17R2.19530 Ic1cccc(c1)CNC2CCCCCC2 34a_100000210984_100011218688 [0,1,0,0,1,0|0,0,0]=2 9962 B17R2.19530 Ic1cccc(c1)CNC2CCCNCC2 270004a_100000106179_100015187895 [0,1,0,0,1,0|1,0,0]=3 9963 B17R2.19530 Ic1cccc(c1)CNC2CSCCSC2 270004a_100000106179_100000068409 [0,1,0,0,1,0|2,0,0]=4 9964 B17R2.19530 Ic1cccc(c1)COC2CCCCCC2 34a_100000210887_100011218688 [0,1,0,0,1,0|1,0,0]=3 9965 B17R2.19530 Ic1cccc(c1)COC2CCCCCC2 34a_100011215336_100011217769 [0,1,0,0,1,0|1,0,0]=3 9966 B17R2.19530 Ic1cccc(c1)COC2CCCCCC2 7a_100000210887_100011218688 [0,1,0,0,1,0|1,0,0]=3 9967 B17R2.19530 Ic1cccc(c1)CSC2CCCCCC2 62a_100011217769_100011218688 [0,1,0,0,1,0|1,0,0]=3 9968 B17R2.19530 Ic1cccc(c1)CSC2CCCCCC2 62a_100011218688_100011217769 [0,1,0,0,1,0|1,0,0]=3 9969 B17R2.19530 Ic1cccc(c1)NCC2CCCCCC2 34a_100000211102_200000696569 [0,1,0,0,1,0|1,0,0]=3 9970 B17R2.19530 Ic1cccc(c1)OCC2CCCCCC2 34a_100000211634_200000696569 [0,1,0,0,1,0|1,0,0]=3 9971 B17R2.19530 Ic1cccc(c1)OCC2CCCCCC2 7a_100000211634_200000696569 [0,1,0,0,1,0|1,0,0]=3 9972 B17R2.19530 Nc1cc(ccn1)OCC2CCCCCC2 34a_100011834064_200000696569 [0,1,0,0,1,0|2,0,0]=4 9973 B17R2.19530 Nc1cc(ccn1)SCC2CCCCCC2 62a_100000049665_200000696569 [0,1,0,0,1,0|2,0,0]=4 9974 B17R2.19530 Nc1cc(ccn1)SCC2CCCCCC2 62a_200000696569_100000049665 [0,1,0,0,1,0|2,0,0]=4 9975 B17R2.19530 Nc1cccc(c1)COC2CCCCCC2 34a_100000211919_100011217769 [0,1,0,0,1,0|1,0,0]=3 9976 B17R2.19530 Nc1cccc(c1)OCC2CCCCCC2 34a_100000210217_200000696569 [0,1,0,0,1,0|1,0,0]=3 9977 B17R2.19530 Nc1cccc(c1)SCC2CCCCCC2 62a_100000210019_200000696569 [0,1,0,0,1,0|1,0,0]=3 9978 B17R2.19530 Nc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100000210019 [0,1,0,0,1,0|1,0,0]=3 9979 B17R2.19530 Nc1cccc(n1)SCC2CCCCCC2 62a_100000740741_200000696569 [0,1,0,0,1,0|2,0,0]=4 9980 B17R2.19530 Nc1cccc(n1)SCC2CCCCCC2 62a_200000696569_100000740741 [0,1,0,0,1,0|2,0,0]=4 9981 B17R2.19530 Nc1ccnc(c1)COC2CCCCCC2 34a_100000692640_100011217769 [0,1,0,0,1,0|2,0,0]=4 9982 B17R2.19530 Nc1ccnc(c1)SCC2CCCCCC2 62a_100009814236_200000696569 [0,1,0,0,1,0|2,0,0]=4 9983 B17R2.19530 Nc1ccnc(c1)SCC2CCCCCC2 62a_200000696569_100009814236 [0,1,0,0,1,0|2,0,0]=4 9984 B17R2.19530 Nc1cncc(c1)COC2CCCCCC2 34a_100000085308_100011217769 [0,1,0,0,1,0|2,0,0]=4 9985 B17R2.19530 Nc1cncc(c1)OCC2CCCCCC2 34a_100011997051_200000696569 [0,1,0,0,1,0|2,0,0]=4 9986 B17R2.19530 Nc1cncc(c1)SCC2CCCCCC2 62a_100000687067_200000696569 [0,1,0,0,1,0|2,0,0]=4 9987 B17R2.19530 Nc1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000687067 [0,1,0,0,1,0|2,0,0]=4 9988 B17R2.19530 O=c1cc(cc[nH]1)NCC2CCCCCC2 27a_100015204231_100000061649 [0,1,0,0,1,0|2,0,0]=4 9989 B17R2.19530 O=c1cc(cc[nH]1)OCC2CCCCCC2 34a_100000032262_200000696569 [0,1,0,0,1,0|2,0,0]=4 9990 B17R2.19530 O=c1cc(cc[nH]1)SCC2CCCCCC2 62a_100009816521_200000696569 [0,1,0,0,1,0|2,0,0]=4 9991 B17R2.19530 O=c1cc(cc[nH]1)SCC2CCCCCC2 62a_200000696569_100009816521 [0,1,0,0,1,0|2,0,0]=4 9992 B17R2.19530 O=c1cc[nH]c(c1)SCC2CCCCCC2 62a_100009817434_200000696569 [0,1,0,0,1,0|2,0,0]=4 9993 B17R2.19530 O=c1cccc([nH]1)CNC2CCCCCC2 207a_100000210984_100011935257 [0,1,0,0,1,0|1,0,0]=3 9994 B17R2.19530 O=c1cccc([nH]1)OCC2CCCCCC2 34a_100000033347_200000696569 [0,1,0,0,1,0|2,0,0]=4 9995 B17R2.19530 O=c1cccc([nH]1)SCC2CCCCCC2 62a_200000696569_100000752884 [0,1,0,0,1,0|2,0,0]=4 9996 B17R2.19530 Oc1cc(ccn1)CNC2CCCCCC2 207a_100000210984_100000688113 [0,1,0,0,1,0|1,0,0]=3 9997 B17R2.19530 Oc1cccc(c1)CNC2CCCCCC2 207a_100000210984_100000188321 [0,1,0,0,1,0|0,0,0]=2 9998 B17R2.19530 Oc1cccc(c1)CNC2CCCCCC2 2230a_100000210984_100011660834 [0,1,0,0,1,0|0,0,0]=2 9999 B17R2.19530 Oc1cccc(c1)CNC2CCCCCC2 270004a_100000210984_100000188321 [0,1,0,0,1,0|0,0,0]=2 10000 B17R2.19530 Oc1cccc(c1)CNC2CCCCCC2 270004a_100000743036_100000210131 [0,1,0,0,1,0|0,0,0]=2 10001 B17R2.19530 Oc1cccc(c1)CNC2CCCCCC2 34a_100000210984_100011660834 [0,1,0,0,1,0|0,0,0]=2 10002 B17R2.19530 Oc1cccc(c1)CNC2CCCCCC2 34a_100000743036_100011217769 [0,1,0,0,1,0|0,0,0]=2 10003 B17R2.19530 Oc1cccc(c1)CNC2CCCNCC2 270004a_100000743036_100015187895 [0,1,0,0,1,0|1,0,0]=3 10004 B17R2.19530 Oc1cccc(c1)CNC2CSCCSC2 270004a_100000743036_100000068409 [0,1,0,0,1,0|2,0,0]=4 10005 B17R2.19530 Oc1cccc(c1)COC2CCCCCC2 34a_100000210887_100011660834 [0,1,0,0,1,0|1,0,0]=3 10006 B17R2.19530 Oc1cccc(c1)COC2CCCCCC2 7a_100000210887_100000084143 [0,1,0,0,1,0|1,0,0]=3 10007 B17R2.19530 Oc1cccc(c1)CSC2CCCCCC2 62a_100011217769_100011660834 [0,1,0,0,1,0|1,0,0]=3 10008 B17R2.19530 Oc1cccc(c1)CSC2CCCCCC2 62a_100011660834_100011217769 [0,1,0,0,1,0|1,0,0]=3 10009 B17R2.19530 Oc1cccc(c1)NCC2CCCCCC2 34a_100000210217_200000696569 [0,1,0,0,1,0|1,0,0]=3 10010 B17R2.19530 Oc1cccc(c1)SCC2CCCCCC2 62a_200000696569_100000211634 [0,1,0,0,1,0|1,0,0]=3 10011 B17R2.19530 Oc1ccnc(c1)SCC2CCCCCC2 62a_200000696569_100000762945 [0,1,0,0,1,0|2,0,0]=4 10012 B17R2.19530 Oc1cncc(c1)CNC2CCCCCC2 207a_100000210984_100012187055 [0,1,0,0,1,0|1,0,0]=3 10013 B17R2.19530 Oc1cncc(c1)CNC2CCCCCC2 270004a_100000210984_100012187055 [0,1,0,0,1,0|1,0,0]=3 10014 B17R2.19530 Oc1cncc(c1)SCC2CCCCCC2 62a_100000754920_200000696569 [0,1,0,0,1,0|2,0,0]=4 10015 B17R2.19530 Oc1cncc(c1)SCC2CCCCCC2 62a_200000696569_100000754920 [0,1,0,0,1,0|2,0,0]=4 10016 B17R2.19530 [O-][n+]1cccc(c1)COC2CCCCCC2 34a_100000037817_100011217769 [0,1,0,0,1,0|2,0,0]=4 10017 B17R2.19530 [O-][n+]1cccc(c1)OCC2CCCCCC2 34a_100000039713_200000696569 [0,1,0,0,1,0|2,0,0]=4 10018 B17R2.19530 [O-][n+]1cccc(c1)OCC2CCCCCC2 7a_100000039713_200000696569 [0,1,0,0,1,0|2,0,0]=4 10019 B17R2.19530 [O-][n+]1cccc(c1)SCC2CCCCCC2 62a_200000696569_100009815978 [0,1,0,0,1,0|2,0,0]=4 10020 B17R2.19530 [S]c1cccc(c1)SCC2CCCCCC2 62a_114929384022_200000696569 [0,1,0,0,1,0|1,0,0]=3 10021 B17R2.19530 [S]c1cccc(c1)SCC2CCCCCC2 62a_200000696569_114929384022 [0,1,0,0,1,0|1,0,0]=3 10022 B17R2.19966 OC1CCCCN(C1)CCc2ccccc2 2230a_100025706797_100000765856 [0,1,0,0,1,0|1,0,0]=3 10023 B17R2.19966 OC1CCCCN(C1)CCc2ccccc2 269982a_100025706797_100000765856 [0,1,0,0,1,0|1,0,0]=3 10024 B17R2.19966 OC1CCCCN(C1)CCc2ccccn2 2230a_100025706797_100015183660 [0,1,0,0,1,0|2,0,0]=4 10025 B17R2.19966 OC1CCCCN(C1)CCc2ccccn2 269982a_100025706797_100015183660 [0,1,0,0,1,0|2,0,0]=4 10026 B17R2.19966 OC1CCCCN(C1)CCc2cccnc2 2230a_100025706797_200011713674 [0,1,0,0,1,0|2,0,0]=4 10027 B17R2.19966 OC1CCCCN(C1)CCc2cccnc2 269982a_100025706797_200011713674 [0,1,0,0,1,0|2,0,0]=4 10028 B17R2.19966 OC1CCCCN(C1)CCc2ccncc2 2230a_100025706797_100000723409 [0,1,0,0,1,0|2,0,0]=4 10029 B17R2.19966 OC1CCCCN(C1)CCc2ccncc2 269982a_100025706797_100000723409 [0,1,0,0,1,0|2,0,0]=4 10030 B17R2.19966 OC1CCCCN(C1)CSc2ccccc2 2230a_100025706797_100011218342 [0,1,0,0,1,0|2,0,0]=4 10031 B17R2.19966 OC1CCCCN(C1)CSc2ccccc2 269982a_100025706797_100011218342 [0,1,0,0,1,0|2,0,0]=4 10032 B17R2.19966 O[C@H]1COCCN(C1)CCc2ccccc2 2230a_100016073750_100000765856 [0,1,0,0,1,0|2,0,0]=4 10033 B17R2.19966 O[C@H]1COCCN(C1)CCc2ccccc2 269982a_100016073750_100000765856 [0,1,0,0,1,0|2,0,0]=4 10034 B17R2.20642 Brc1ccccc1CCN2CCCCCC2 2230a_100000185865_100012161201 [0,1,0,0,1,0|1,0,0]=3 10035 B17R2.20642 Brc1ccccc1CCN2CCCCCC2 269982a_100000185865_100012161201 [0,1,0,0,1,0|1,0,0]=3 10036 B17R2.20642 Brc1ccccc1CCN2CCCCCC2 34a_100000185865_100012161201 [0,1,0,0,1,0|1,0,0]=3 10037 B17R2.20642 Brc1ccccc1CCN2CCCOCC2 2230a_100000685342_100012161201 [0,1,0,0,1,0|2,0,0]=4 10038 B17R2.20642 Brc1ccccc1CCN2CCCOCC2 269982a_100000685342_100012161201 [0,1,0,0,1,0|2,0,0]=4 10039 B17R2.20642 Brc1ccccc1CCN2CCCOCC2 34a_100000685342_100012161201 [0,1,0,0,1,0|2,0,0]=4 10040 B17R2.20642 Brc1ccccc1CNC2CCCCCC2 207a_100000210984_100000211189 [0,1,0,0,1,0|0,0,0]=2 10041 B17R2.20642 Brc1ccccc1CNC2CCCCCC2 2230a_100000210984_100000184730 [0,1,0,0,1,0|0,0,0]=2 10042 B17R2.20642 Brc1ccccc1CNC2CCCCCC2 270004a_100000210984_100000211189 [0,1,0,0,1,0|0,0,0]=2 10043 B17R2.20642 Brc1ccccc1CNC2CCCCCC2 270004a_100000689332_100000210131 [0,1,0,0,1,0|0,0,0]=2 10044 B17R2.20642 Brc1ccccc1CNC2CCCCCC2 34a_100000210984_100000184730 [0,1,0,0,1,0|0,0,0]=2 10045 B17R2.20642 Brc1ccccc1CNC2CCCCCC2 34a_100000689332_100011217769 [0,1,0,0,1,0|0,0,0]=2 10046 B17R2.20642 Brc1ccccc1CNC2CCCNCC2 270004a_100000689332_100015187895 [0,1,0,0,1,0|1,0,0]=3 10047 B17R2.20642 Brc1ccccc1CNC2CSCCSC2 270004a_100000689332_100000068409 [0,1,0,0,1,0|2,0,0]=4 10048 B17R2.20642 Brc1ccccc1COC2CCCCCC2 34a_100000210887_100000184730 [0,1,0,0,1,0|1,0,0]=3 10049 B17R2.20642 Brc1ccccc1COC2CCCCCC2 34a_100000756307_100011217769 [0,1,0,0,1,0|1,0,0]=3 10050 B17R2.20642 Brc1ccccc1COC2CCCCCC2 7a_100000210887_100000184730 [0,1,0,0,1,0|1,0,0]=3 10051 B17R2.20642 Brc1ccccc1CSC2CCCCCC2 62a_100000184730_100011217769 [0,1,0,0,1,0|1,0,0]=3 10052 B17R2.20642 Brc1ccccc1CSC2CCCCCC2 62a_100011217769_100000184730 [0,1,0,0,1,0|1,0,0]=3 10053 B17R2.20642 Brc1ccccc1NCC2CCCCCC2 34a_100000210017_200000696569 [0,1,0,0,1,0|1,0,0]=3 10054 B17R2.20642 Brc1ccccc1OCC2CCCCCC2 34a_100000181306_200000696569 [0,1,0,0,1,0|1,0,0]=3 10055 B17R2.20642 Brc1ccccc1OCC2CCCCCC2 7a_100000181306_200000696569 [0,1,0,0,1,0|1,0,0]=3 10056 B17R2.20642 Brc1ccccc1SCC2CCCCCC2 62a_100000695589_200000696569 [0,1,0,0,1,0|1,0,0]=3 10057 B17R2.20642 Brc1ccccc1SCC2CCCCCC2 62a_200000696569_100000695589 [0,1,0,0,1,0|1,0,0]=3 10058 B17R2.20642 Brc1cccnc1CNC2CCCCCC2 207a_100000210984_100011934733 [0,1,0,0,1,0|1,0,0]=3 10059 B17R2.20642 Brc1cccnc1CNC2CCCCCC2 2230a_100000210984_100025702911 [0,1,0,0,1,0|1,0,0]=3 10060 B17R2.20642 Brc1cccnc1CNC2CCCCCC2 270004a_100000210984_100011934733 [0,1,0,0,1,0|1,0,0]=3 10061 B17R2.20642 Brc1cccnc1CNC2CCCCCC2 270004a_100020591323_100000210131 [0,1,0,0,1,0|1,0,0]=3 10062 B17R2.20642 Brc1cccnc1CNC2CCCCCC2 34a_100000210984_100025702911 [0,1,0,0,1,0|1,0,0]=3 10063 B17R2.20642 Brc1cccnc1CNC2CCCNCC2 270004a_100020591323_100015187895 [0,1,0,0,1,0|2,0,0]=4 10064 B17R2.20642 Brc1cccnc1COC2CCCCCC2 34a_100000210887_100025702911 [0,1,0,0,1,0|2,0,0]=4 10065 B17R2.20642 Brc1cccnc1COC2CCCCCC2 34a_100011996772_100011217769 [0,1,0,0,1,0|2,0,0]=4 10066 B17R2.20642 Brc1cccnc1COC2CCCCCC2 7a_100000210887_100025702911 [0,1,0,0,1,0|2,0,0]=4 10067 B17R2.20642 Brc1cccnc1CSC2CCCCCC2 62a_100011217769_100025702911 [0,1,0,0,1,0|2,0,0]=4 10068 B17R2.20642 Brc1cccnc1CSC2CCCCCC2 62a_100025702911_100011217769 [0,1,0,0,1,0|2,0,0]=4 10069 B17R2.20642 Brc1cccnc1NCC2CCCCCC2 27a_100015204231_100000696092 [0,1,0,0,1,0|2,0,0]=4 10070 B17R2.20642 Brc1cccnc1SCC2CCCCCC2 62a_100000696092_200000696569 [0,1,0,0,1,0|2,0,0]=4 10071 B17R2.20642 Brc1cccnc1SCC2CCCCCC2 62a_200000696569_100000696092 [0,1,0,0,1,0|2,0,0]=4 10072 B17R2.20642 Brc1ccncc1CNC2CCCCCC2 270004a_100000210984_100009816821 [0,1,0,0,1,0|1,0,0]=3 10073 B17R2.20642 Brc1ccncc1SCC2CCCCCC2 62a_100010138639_200000696569 [0,1,0,0,1,0|2,0,0]=4 10074 B17R2.20642 Brc1ccncc1SCC2CCCCCC2 62a_200000696569_100010138639 [0,1,0,0,1,0|2,0,0]=4 10075 B17R2.20642 Brc1cnccc1CNC2CCCCCC2 270004a_100000210984_100000755692 [0,1,0,0,1,0|1,0,0]=3 10076 B17R2.20642 Brc1cnccc1CNC2CCCCCC2 270004a_100020640021_100000210131 [0,1,0,0,1,0|1,0,0]=3 10077 B17R2.20642 Brc1cnccc1CNC2CCCNCC2 270004a_100020640021_100015187895 [0,1,0,0,1,0|2,0,0]=4 10078 B17R2.20642 Brc1cnccc1NCC2CCCCCC2 27a_100015204231_100000726257 [0,1,0,0,1,0|2,0,0]=4 10079 B17R2.20642 Brc1cnccc1OCC2CCCCCC2 34a_100011996408_200000696569 [0,1,0,0,1,0|2,0,0]=4 10080 B17R2.20642 Brc1cnccc1SCC2CCCCCC2 62a_100000726257_200000696569 [0,1,0,0,1,0|2,0,0]=4 10081 B17R2.20642 Brc1cnccc1SCC2CCCCCC2 62a_200000696569_100000726257 [0,1,0,0,1,0|2,0,0]=4 10082 B17R2.20642 Brc1ncccc1CNC2CCCCCC2 2230a_100000210984_100010140945 [0,1,0,0,1,0|1,0,0]=3 10083 B17R2.20642 Brc1ncccc1CNC2CCCCCC2 270004a_100009818023_100000210131 [0,1,0,0,1,0|1,0,0]=3 10084 B17R2.20642 Brc1ncccc1CNC2CCCCCC2 34a_100000210984_100010140945 [0,1,0,0,1,0|1,0,0]=3 10085 B17R2.20642 Brc1ncccc1CNC2CCCCCC2 34a_100009818023_100011217769 [0,1,0,0,1,0|1,0,0]=3 10086 B17R2.20642 Brc1ncccc1CNC2CCCNCC2 270004a_100009818023_100015187895 [0,1,0,0,1,0|2,0,0]=4 10087 B17R2.20642 Brc1ncccc1COC2CCCCCC2 34a_100000210887_100010140945 [0,1,0,0,1,0|2,0,0]=4 10088 B17R2.20642 Brc1ncccc1COC2CCCCCC2 34a_100000719692_100011217769 [0,1,0,0,1,0|2,0,0]=4 10089 B17R2.20642 Brc1ncccc1COC2CCCCCC2 7a_100000210887_100010140945 [0,1,0,0,1,0|2,0,0]=4 10090 B17R2.20642 Brc1ncccc1CSC2CCCCCC2 62a_100010140945_100011217769 [0,1,0,0,1,0|2,0,0]=4 10091 B17R2.20642 Brc1ncccc1CSC2CCCCCC2 62a_100011217769_100010140945 [0,1,0,0,1,0|2,0,0]=4 10092 B17R2.20642 Brc1ncccc1OCC2CCCCCC2 34a_100000744436_200000696569 [0,1,0,0,1,0|2,0,0]=4 10093 B17R2.20642 Brc1ncccc1OCC2CCCCCC2 7a_100000744436_200000696569 [0,1,0,0,1,0|2,0,0]=4 10094 B17R2.20642 Brc1ncccc1SCC2CCCCCC2 62a_100010202626_200000696569 [0,1,0,0,1,0|2,0,0]=4 10095 B17R2.20642 Brc1ncccc1SCC2CCCCCC2 62a_200000696569_100010202626 [0,1,0,0,1,0|2,0,0]=4 10096 B17R2.20642 C[n+]1ccccc1SCC2CCCCCC2 62a_200000696569_100000212160 [0,1,0,0,1,0|2,0,0]=4 10097 B17R2.20642 Cc1ccccc1CCN2CCCCCC2 2230a_100000185865_100011713688 [0,1,0,0,1,0|1,0,0]=3 10098 B17R2.20642 Cc1ccccc1CCN2CCCCCC2 269982a_100000185865_100011713688 [0,1,0,0,1,0|1,0,0]=3 10099 B17R2.20642 Cc1ccccc1CCN2CCCCCC2 34a_100000185865_100011713688 [0,1,0,0,1,0|1,0,0]=3 10100 B17R2.20642 Cc1ccccc1CCN2CCCOCC2 2230a_100000685342_100011713688 [0,1,0,0,1,0|2,0,0]=4 10101 B17R2.20642 Cc1ccccc1CCN2CCCOCC2 269982a_100000685342_100011713688 [0,1,0,0,1,0|2,0,0]=4 10102 B17R2.20642 Cc1ccccc1CCN2CCCOCC2 34a_100000685342_100011713688 [0,1,0,0,1,0|2,0,0]=4 10103 B17R2.20642 Cc1ccccc1CNC2CCCCCC2 207a_100000210984_100000211143 [0,1,0,0,1,0|0,0,0]=2 10104 B17R2.20642 Cc1ccccc1CNC2CCCCCC2 2230a_100000210984_100000211839 [0,1,0,0,1,0|0,0,0]=2 10105 B17R2.20642 Cc1ccccc1CNC2CCCCCC2 270004a_100000174972_100000210131 [0,1,0,0,1,0|0,0,0]=2 10106 B17R2.20642 Cc1ccccc1CNC2CCCCCC2 270004a_100000210984_100000211143 [0,1,0,0,1,0|0,0,0]=2 10107 B17R2.20642 Cc1ccccc1CNC2CCCCCC2 34a_100000174972_100011217769 [0,1,0,0,1,0|0,0,0]=2 10108 B17R2.20642 Cc1ccccc1CNC2CCCCCC2 34a_100000210984_100000211839 [0,1,0,0,1,0|0,0,0]=2 10109 B17R2.20642 Cc1ccccc1CNC2CCCNCC2 270004a_100000174972_100015187895 [0,1,0,0,1,0|1,0,0]=3 10110 B17R2.20642 Cc1ccccc1CNC2CSCCSC2 270004a_100000174972_100000068409 [0,1,0,0,1,0|2,0,0]=4 10111 B17R2.20642 Cc1ccccc1COC2CCCCCC2 34a_100000210887_100000211839 [0,1,0,0,1,0|1,0,0]=3 10112 B17R2.20642 Cc1ccccc1COC2CCCCCC2 34a_100000698903_100011217769 [0,1,0,0,1,0|1,0,0]=3 10113 B17R2.20642 Cc1ccccc1COC2CCCCCC2 7a_100000210887_100000211839 [0,1,0,0,1,0|1,0,0]=3 10114 B17R2.20642 Cc1ccccc1CSC2CCCCCC2 62a_100000211839_100011217769 [0,1,0,0,1,0|1,0,0]=3 10115 B17R2.20642 Cc1ccccc1CSC2CCCCCC2 62a_100011217769_100000211839 [0,1,0,0,1,0|1,0,0]=3 10116 B17R2.20642 Cc1ccccc1NCC2CCCCCC2 34a_100015192222_200000696569 [0,1,0,0,1,0|1,0,0]=3 10117 B17R2.20642 Cc1ccccc1OCC2CCCCCC2 34a_100000210338_200000696569 [0,1,0,0,1,0|1,0,0]=3 10118 B17R2.20642 Cc1ccccc1OCC2CCCCCC2 7a_100000210338_200000696569 [0,1,0,0,1,0|1,0,0]=3 10119 B17R2.20642 Cc1ccccc1SCC2CCCCCC2 62a_100000210755_200000696569 [0,1,0,0,1,0|1,0,0]=3 10120 B17R2.20642 Cc1ccccc1SCC2CCCCCC2 62a_200000696569_100000210755 [0,1,0,0,1,0|1,0,0]=3 10121 B17R2.20642 Cc1cccnc1CNC2CCCCCC2 207a_100000210984_100000698913 [0,1,0,0,1,0|1,0,0]=3 10122 B17R2.20642 Cc1cccnc1CNC2CCCCCC2 2230a_100000210984_100000696600 [0,1,0,0,1,0|1,0,0]=3 10123 B17R2.20642 Cc1cccnc1CNC2CCCCCC2 270004a_100000210984_100000698913 [0,1,0,0,1,0|1,0,0]=3 10124 B17R2.20642 Cc1cccnc1CNC2CCCCCC2 34a_100000210984_100000696600 [0,1,0,0,1,0|1,0,0]=3 10125 B17R2.20642 Cc1cccnc1CNC2CCCCCC2 34a_100011223789_100011217769 [0,1,0,0,1,0|1,0,0]=3 10126 B17R2.20642 Cc1cccnc1COC2CCCCCC2 34a_100000210887_100000696600 [0,1,0,0,1,0|2,0,0]=4 10127 B17R2.20642 Cc1cccnc1COC2CCCCCC2 34a_100000698912_100011217769 [0,1,0,0,1,0|2,0,0]=4 10128 B17R2.20642 Cc1cccnc1COC2CCCCCC2 7a_100000210887_100000696600 [0,1,0,0,1,0|2,0,0]=4 10129 B17R2.20642 Cc1cccnc1CSC2CCCCCC2 62a_100000696600_100011217769 [0,1,0,0,1,0|2,0,0]=4 10130 B17R2.20642 Cc1cccnc1CSC2CCCCCC2 62a_100011217769_100000696600 [0,1,0,0,1,0|2,0,0]=4 10131 B17R2.20642 Cc1cccnc1SCC2CCCCCC2 62a_100000751373_200000696569 [0,1,0,0,1,0|2,0,0]=4 10132 B17R2.20642 Cc1cccnc1SCC2CCCCCC2 62a_200000696569_100000751373 [0,1,0,0,1,0|2,0,0]=4 10133 B17R2.20642 Cc1ccncc1CNC2CCCCCC2 207a_100000210984_100000685662 [0,1,0,0,1,0|1,0,0]=3 10134 B17R2.20642 Cc1ccncc1CNC2CCCCCC2 2230a_100000210984_100000690890 [0,1,0,0,1,0|1,0,0]=3 10135 B17R2.20642 Cc1ccncc1CNC2CCCCCC2 270004a_100000210984_100000685662 [0,1,0,0,1,0|1,0,0]=3 10136 B17R2.20642 Cc1ccncc1CNC2CCCCCC2 270004a_100011997553_100000210131 [0,1,0,0,1,0|1,0,0]=3 10137 B17R2.20642 Cc1ccncc1CNC2CCCCCC2 34a_100000210984_100000690890 [0,1,0,0,1,0|1,0,0]=3 10138 B17R2.20642 Cc1ccncc1CNC2CCCNCC2 270004a_100011997553_100015187895 [0,1,0,0,1,0|2,0,0]=4 10139 B17R2.20642 Cc1ccncc1COC2CCCCCC2 34a_100000210887_100000690890 [0,1,0,0,1,0|2,0,0]=4 10140 B17R2.20642 Cc1ccncc1COC2CCCCCC2 34a_100011996381_100011217769 [0,1,0,0,1,0|2,0,0]=4 10141 B17R2.20642 Cc1ccncc1COC2CCCCCC2 7a_100000210887_100000690890 [0,1,0,0,1,0|2,0,0]=4 10142 B17R2.20642 Cc1ccncc1CSC2CCCCCC2 62a_100000690890_100011217769 [0,1,0,0,1,0|2,0,0]=4 10143 B17R2.20642 Cc1ccncc1CSC2CCCCCC2 62a_100011217769_100000690890 [0,1,0,0,1,0|2,0,0]=4 10144 B17R2.20642 Cc1ccncc1OCC2CCCCCC2 34a_100011997053_200000696569 [0,1,0,0,1,0|2,0,0]=4 10145 B17R2.20642 Cc1ccncc1OCC2CCCCCC2 7a_100011997053_200000696569 [0,1,0,0,1,0|2,0,0]=4 10146 B17R2.20642 Cc1ccncc1SCC2CCCCCC2 62a_100000761580_200000696569 [0,1,0,0,1,0|2,0,0]=4 10147 B17R2.20642 Cc1ccncc1SCC2CCCCCC2 62a_200000696569_100000761580 [0,1,0,0,1,0|2,0,0]=4 10148 B17R2.20642 Cc1cnccc1CNC2CCCCCC2 2230a_100000210984_100020672808 [0,1,0,0,1,0|1,0,0]=3 10149 B17R2.20642 Cc1cnccc1CNC2CCCCCC2 270004a_100000708811_100000210131 [0,1,0,0,1,0|1,0,0]=3 10150 B17R2.20642 Cc1cnccc1CNC2CCCCCC2 34a_100000210984_100020672809 [0,1,0,0,1,0|1,0,0]=3 10151 B17R2.20642 Cc1cnccc1CNC2CCCNCC2 270004a_100000708811_100015187895 [0,1,0,0,1,0|2,0,0]=4 10152 B17R2.20642 Cc1cnccc1COC2CCCCCC2 34a_100000210887_100020672809 [0,1,0,0,1,0|2,0,0]=4 10153 B17R2.20642 Cc1cnccc1COC2CCCCCC2 34a_100011997032_100011217769 [0,1,0,0,1,0|2,0,0]=4 10154 B17R2.20642 Cc1cnccc1COC2CCCCCC2 7a_100000210887_100020672808 [0,1,0,0,1,0|2,0,0]=4 10155 B17R2.20642 Cc1cnccc1CSC2CCCCCC2 62a_100011217769_100020672808 [0,1,0,0,1,0|2,0,0]=4 10156 B17R2.20642 Cc1cnccc1CSC2CCCCCC2 62a_100020672808_100011217769 [0,1,0,0,1,0|2,0,0]=4 10157 B17R2.20642 Cc1cnccc1NCC2CCCCCC2 27a_100015204231_100000765111 [0,1,0,0,1,0|2,0,0]=4 10158 B17R2.20642 Cc1cnccc1OCC2CCCCCC2 34a_100000694293_200000696569 [0,1,0,0,1,0|2,0,0]=4 10159 B17R2.20642 Cc1cnccc1SCC2CCCCCC2 62a_100000765111_200000696569 [0,1,0,0,1,0|2,0,0]=4 10160 B17R2.20642 Cc1cnccc1SCC2CCCCCC2 62a_200000696569_100000765111 [0,1,0,0,1,0|2,0,0]=4 10161 B17R2.20642 Cc1ncccc1CNC2CCCCCC2 207a_100000210984_100000751968 [0,1,0,0,1,0|1,0,0]=3 10162 B17R2.20642 Cc1ncccc1CNC2CCCCCC2 2230a_100000210984_100000732876 [0,1,0,0,1,0|1,0,0]=3 10163 B17R2.20642 Cc1ncccc1CNC2CCCCCC2 270004a_100000210984_100000751968 [0,1,0,0,1,0|1,0,0]=3 10164 B17R2.20642 Cc1ncccc1CNC2CCCCCC2 34a_100000210984_100000732876 [0,1,0,0,1,0|1,0,0]=3 10165 B17R2.20642 Cc1ncccc1COC2CCCCCC2 34a_100000210887_100000732876 [0,1,0,0,1,0|2,0,0]=4 10166 B17R2.20642 Cc1ncccc1COC2CCCCCC2 34a_100000729262_100011217769 [0,1,0,0,1,0|2,0,0]=4 10167 B17R2.20642 Cc1ncccc1COC2CCCCCC2 7a_100000210887_100000732876 [0,1,0,0,1,0|2,0,0]=4 10168 B17R2.20642 Cc1ncccc1CSC2CCCCCC2 62a_100000732876_100011217769 [0,1,0,0,1,0|2,0,0]=4 10169 B17R2.20642 Cc1ncccc1CSC2CCCCCC2 62a_100011217769_100000732876 [0,1,0,0,1,0|2,0,0]=4 10170 B17R2.20642 Cc1ncccc1OCC2CCCCCC2 34a_100000745507_200000696569 [0,1,0,0,1,0|2,0,0]=4 10171 B17R2.20642 Cc1ncccc1OCC2CCCCCC2 7a_100000745507_200000696569 [0,1,0,0,1,0|2,0,0]=4 10172 B17R2.20642 Cc1ncccc1SCC2CCCCCC2 62a_100000751574_200000696569 [0,1,0,0,1,0|2,0,0]=4 10173 B17R2.20642 Cc1ncccc1SCC2CCCCCC2 62a_200000696569_100000751574 [0,1,0,0,1,0|2,0,0]=4 10174 B17R2.20642 Cc1nccnc1CNC2CCCCCC2 270004a_100000210984_100000050726 [0,1,0,0,1,0|2,0,0]=4 10175 B17R2.20642 Cc1nccnc1CNC2CCCCCC2 270004a_100020641712_100000210131 [0,1,0,0,1,0|2,0,0]=4 10176 B17R2.20642 Cc1nccnc1CNC2CCCCCC2 34a_100020641712_100011217769 [0,1,0,0,1,0|2,0,0]=4 10177 B17R2.20642 Clc1ccccc1CCN2CCCCCC2 2230a_100000185865_100011713703 [0,1,0,0,1,0|1,0,0]=3 10178 B17R2.20642 Clc1ccccc1CCN2CCCCCC2 269982a_100000185865_100011713703 [0,1,0,0,1,0|1,0,0]=3 10179 B17R2.20642 Clc1ccccc1CCN2CCCCCC2 270004a_100000185865_200011713468 [0,1,0,0,1,0|1,0,0]=3 10180 B17R2.20642 Clc1ccccc1CCN2CCCCCC2 34a_100000185865_100011713703 [0,1,0,0,1,0|1,0,0]=3 10181 B17R2.20642 Clc1ccccc1CCN2CCCOCC2 2230a_100000685342_100011713703 [0,1,0,0,1,0|2,0,0]=4 10182 B17R2.20642 Clc1ccccc1CCN2CCCOCC2 269982a_100000685342_100011713703 [0,1,0,0,1,0|2,0,0]=4 10183 B17R2.20642 Clc1ccccc1CCN2CCCOCC2 270004a_100000685342_200011713468 [0,1,0,0,1,0|2,0,0]=4 10184 B17R2.20642 Clc1ccccc1CCN2CCCOCC2 34a_100000685342_100011713703 [0,1,0,0,1,0|2,0,0]=4 10185 B17R2.20642 Clc1ccccc1CNC2CCCCCC2 207a_100000210984_100000210073 [0,1,0,0,1,0|0,0,0]=2 10186 B17R2.20642 Clc1ccccc1CNC2CCCCCC2 2230a_100000210984_100000187162 [0,1,0,0,1,0|0,0,0]=2 10187 B17R2.20642 Clc1ccccc1CNC2CCCCCC2 270004a_100000174879_100000210131 [0,1,0,0,1,0|0,0,0]=2 10188 B17R2.20642 Clc1ccccc1CNC2CCCCCC2 270004a_100000210984_100000210073 [0,1,0,0,1,0|0,0,0]=2 10189 B17R2.20642 Clc1ccccc1CNC2CCCCCC2 34a_100000174879_100011217769 [0,1,0,0,1,0|0,0,0]=2 10190 B17R2.20642 Clc1ccccc1CNC2CCCCCC2 34a_100000210984_100000187162 [0,1,0,0,1,0|0,0,0]=2 10191 B17R2.20642 Clc1ccccc1CNC2CCCNCC2 270004a_100000174879_100015187895 [0,1,0,0,1,0|1,0,0]=3 10192 B17R2.20642 Clc1ccccc1CNC2CSCCSC2 270004a_100000174879_100000068409 [0,1,0,0,1,0|2,0,0]=4 10193 B17R2.20642 Clc1ccccc1COC2CCCCCC2 34a_100000210847_100011217769 [0,1,0,0,1,0|1,0,0]=3 10194 B17R2.20642 Clc1ccccc1COC2CCCCCC2 34a_100000210887_100000187162 [0,1,0,0,1,0|1,0,0]=3 10195 B17R2.20642 Clc1ccccc1COC2CCCCCC2 7a_100000210887_100000187162 [0,1,0,0,1,0|1,0,0]=3 10196 B17R2.20642 Clc1ccccc1CSC2CCCCCC2 62a_100000187162_100011217769 [0,1,0,0,1,0|1,0,0]=3 10197 B17R2.20642 Clc1ccccc1CSC2CCCCCC2 62a_100011217769_100000187162 [0,1,0,0,1,0|1,0,0]=3 10198 B17R2.20642 Clc1ccccc1NCC2CCCCCC2 34a_100000185783_200000696569 [0,1,0,0,1,0|1,0,0]=3 10199 B17R2.20642 Clc1ccccc1OCC2CCCCCC2 34a_100000210172_200000696569 [0,1,0,0,1,0|1,0,0]=3 10200 B17R2.20642 Clc1ccccc1OCC2CCCCCC2 7a_100000210172_200000696569 [0,1,0,0,1,0|1,0,0]=3 10201 B17R2.20642 Clc1ccccc1SCC2CCCCCC2 62a_100000764095_200000696569 [0,1,0,0,1,0|1,0,0]=3 10202 B17R2.20642 Clc1ccccc1SCC2CCCCCC2 62a_200000696569_100000764095 [0,1,0,0,1,0|1,0,0]=3 10203 B17R2.20642 Clc1cccnc1CNC2CCCCCC2 207a_100000210984_100012001307 [0,1,0,0,1,0|1,0,0]=3 10204 B17R2.20642 Clc1cccnc1CNC2CCCCCC2 2230a_100000210984_100000099807 [0,1,0,0,1,0|1,0,0]=3 10205 B17R2.20642 Clc1cccnc1CNC2CCCCCC2 270004a_100000210984_100012001307 [0,1,0,0,1,0|1,0,0]=3 10206 B17R2.20642 Clc1cccnc1CNC2CCCCCC2 270004a_100015189233_100000210131 [0,1,0,0,1,0|1,0,0]=3 10207 B17R2.20642 Clc1cccnc1CNC2CCCNCC2 270004a_100015189233_100015187895 [0,1,0,0,1,0|2,0,0]=4 10208 B17R2.20642 Clc1cccnc1COC2CCCCCC2 34a_100012002383_100011217769 [0,1,0,0,1,0|2,0,0]=4 10209 B17R2.20642 Clc1cccnc1COC2CCCCCC2 7a_100000210887_100000099807 [0,1,0,0,1,0|2,0,0]=4 10210 B17R2.20642 Clc1cccnc1CSC2CCCCCC2 62a_100000099807_100011217769 [0,1,0,0,1,0|2,0,0]=4 10211 B17R2.20642 Clc1cccnc1CSC2CCCCCC2 62a_100011217769_100000099807 [0,1,0,0,1,0|2,0,0]=4 10212 B17R2.20642 Clc1cccnc1OCC2CCCCCC2 34a_100011290957_200000696569 [0,1,0,0,1,0|2,0,0]=4 10213 B17R2.20642 Clc1cccnc1SCC2CCCCCC2 62a_100011356963_200000696569 [0,1,0,0,1,0|2,0,0]=4 10214 B17R2.20642 Clc1cccnc1SCC2CCCCCC2 62a_200000696569_100011356963 [0,1,0,0,1,0|2,0,0]=4 10215 B17R2.20642 Clc1ccncc1CNC2CCCCCC2 270004a_100000210984_100000050567 [0,1,0,0,1,0|1,0,0]=3 10216 B17R2.20642 Clc1ccncc1COC2CCCCCC2 34a_100000117392_100011217769 [0,1,0,0,1,0|2,0,0]=4 10217 B17R2.20642 Clc1ccncc1OCC2CCCCCC2 34a_100011996695_200000696569 [0,1,0,0,1,0|2,0,0]=4 10218 B17R2.20642 Clc1ccncc1SCC2CCCCCC2 62a_100009995489_200000696569 [0,1,0,0,1,0|2,0,0]=4 10219 B17R2.20642 Clc1ccncc1SCC2CCCCCC2 62a_200000696569_100009995489 [0,1,0,0,1,0|2,0,0]=4 10220 B17R2.20642 Clc1cnccc1CNC2CCCCCC2 207a_100000210984_100011934409 [0,1,0,0,1,0|1,0,0]=3 10221 B17R2.20642 Clc1cnccc1CNC2CCCCCC2 2230a_100000210984_100000763264 [0,1,0,0,1,0|1,0,0]=3 10222 B17R2.20642 Clc1cnccc1CNC2CCCCCC2 270004a_100000210984_100011934409 [0,1,0,0,1,0|1,0,0]=3 10223 B17R2.20642 Clc1cnccc1COC2CCCCCC2 7a_100000210887_100000763264 [0,1,0,0,1,0|2,0,0]=4 10224 B17R2.20642 Clc1cnccc1CSC2CCCCCC2 62a_100000763264_100011217769 [0,1,0,0,1,0|2,0,0]=4 10225 B17R2.20642 Clc1cnccc1CSC2CCCCCC2 62a_100011217769_100000763264 [0,1,0,0,1,0|2,0,0]=4 10226 B17R2.20642 Clc1cnccc1OCC2CCCCCC2 34a_100011997054_200000696569 [0,1,0,0,1,0|2,0,0]=4 10227 B17R2.20642 Clc1cnccc1SCC2CCCCCC2 62a_100000708259_200000696569 [0,1,0,0,1,0|2,0,0]=4 10228 B17R2.20642 Clc1cnccc1SCC2CCCCCC2 62a_200000696569_100000708259 [0,1,0,0,1,0|2,0,0]=4 10229 B17R2.20642 Clc1ncccc1CNC2CCCCCC2 2230a_100000210984_100000045678 [0,1,0,0,1,0|1,0,0]=3 10230 B17R2.20642 Clc1ncccc1CNC2CCCCCC2 34a_100000210984_100000045678 [0,1,0,0,1,0|1,0,0]=3 10231 B17R2.20642 Clc1ncccc1CNC2CCCCCC2 34a_100015189234_100011217769 [0,1,0,0,1,0|1,0,0]=3 10232 B17R2.20642 Clc1ncccc1COC2CCCCCC2 34a_100000210887_100000045678 [0,1,0,0,1,0|2,0,0]=4 10233 B17R2.20642 Clc1ncccc1COC2CCCCCC2 34a_100000748726_100011217769 [0,1,0,0,1,0|2,0,0]=4 10234 B17R2.20642 Clc1ncccc1COC2CCCCCC2 7a_100000210887_100000045678 [0,1,0,0,1,0|2,0,0]=4 10235 B17R2.20642 Clc1ncccc1CSC2CCCCCC2 62a_100000045678_100011217769 [0,1,0,0,1,0|2,0,0]=4 10236 B17R2.20642 Clc1ncccc1CSC2CCCCCC2 62a_100011217769_100000045678 [0,1,0,0,1,0|2,0,0]=4 10237 B17R2.20642 Clc1ncccc1OCC2CCCCCC2 34a_100000757616_200000696569 [0,1,0,0,1,0|2,0,0]=4 10238 B17R2.20642 Clc1ncccc1OCC2CCCCCC2 7a_100000757616_200000696569 [0,1,0,0,1,0|2,0,0]=4 10239 B17R2.20642 Clc1ncccc1SCC2CCCCCC2 62a_100000036424_200000696569 [0,1,0,0,1,0|2,0,0]=4 10240 B17R2.20642 Clc1ncccc1SCC2CCCCCC2 62a_200000696569_100000036424 [0,1,0,0,1,0|2,0,0]=4 10241 B17R2.20642 Fc1ccccc1CCN2CCCCCC2 2230a_100000185865_100011713696 [0,1,0,0,1,0|1,0,0]=3 10242 B17R2.20642 Fc1ccccc1CCN2CCCCCC2 269982a_100000185865_100011713696 [0,1,0,0,1,0|1,0,0]=3 10243 B17R2.20642 Fc1ccccc1CCN2CCCCCC2 34a_100000185865_100000720011 [0,1,0,0,1,0|1,0,0]=3 10244 B17R2.20642 Fc1ccccc1CCN2CCCOCC2 2230a_100000685342_100011713696 [0,1,0,0,1,0|2,0,0]=4 10245 B17R2.20642 Fc1ccccc1CCN2CCCOCC2 269982a_100000685342_100011713696 [0,1,0,0,1,0|2,0,0]=4 10246 B17R2.20642 Fc1ccccc1CCN2CCCOCC2 34a_100000685342_100000720011 [0,1,0,0,1,0|2,0,0]=4 10247 B17R2.20642 Fc1ccccc1CNC2CCCCCC2 207a_100000210984_100000210811 [0,1,0,0,1,0|0,0,0]=2 10248 B17R2.20642 Fc1ccccc1CNC2CCCCCC2 2230a_100000210984_100000211605 [0,1,0,0,1,0|0,0,0]=2 10249 B17R2.20642 Fc1ccccc1CNC2CCCCCC2 270004a_100000174869_100000210131 [0,1,0,0,1,0|0,0,0]=2 10250 B17R2.20642 Fc1ccccc1CNC2CCCCCC2 270004a_100000210984_100000210811 [0,1,0,0,1,0|0,0,0]=2 10251 B17R2.20642 Fc1ccccc1CNC2CCCCCC2 34a_100000174869_100011217769 [0,1,0,0,1,0|0,0,0]=2 10252 B17R2.20642 Fc1ccccc1CNC2CCCCCC2 34a_100000210984_100000211605 [0,1,0,0,1,0|0,0,0]=2 10253 B17R2.20642 Fc1ccccc1CNC2CCCNCC2 270004a_100000174869_100015187895 [0,1,0,0,1,0|1,0,0]=3 10254 B17R2.20642 Fc1ccccc1CNC2CSCCSC2 270004a_100000174869_100000068409 [0,1,0,0,1,0|2,0,0]=4 10255 B17R2.20642 Fc1ccccc1COC2CCCCCC2 34a_100000210887_100000211605 [0,1,0,0,1,0|1,0,0]=3 10256 B17R2.20642 Fc1ccccc1COC2CCCCCC2 34a_100000211962_100011217769 [0,1,0,0,1,0|1,0,0]=3 10257 B17R2.20642 Fc1ccccc1COC2CCCCCC2 7a_100000210887_100000211605 [0,1,0,0,1,0|1,0,0]=3 10258 B17R2.20642 Fc1ccccc1CSC2CCCCCC2 62a_100000211605_100011217769 [0,1,0,0,1,0|1,0,0]=3 10259 B17R2.20642 Fc1ccccc1CSC2CCCCCC2 62a_100011217769_100000211605 [0,1,0,0,1,0|1,0,0]=3 10260 B17R2.20642 Fc1ccccc1NCC2CCCCCC2 34a_100000210422_200000696569 [0,1,0,0,1,0|1,0,0]=3 10261 B17R2.20642 Fc1ccccc1OCC2CCCCCC2 34a_100000210171_200000696569 [0,1,0,0,1,0|1,0,0]=3 10262 B17R2.20642 Fc1ccccc1OCC2CCCCCC2 7a_100000210171_200000696569 [0,1,0,0,1,0|1,0,0]=3 10263 B17R2.20642 Fc1ccccc1SCC2CCCCCC2 62a_100011215700_200000696569 [0,1,0,0,1,0|1,0,0]=3 10264 B17R2.20642 Fc1ccccc1SCC2CCCCCC2 62a_200000696569_100011215700 [0,1,0,0,1,0|1,0,0]=3 10265 B17R2.20642 Fc1cccnc1CNC2CCCCCC2 207a_100000210984_100011934734 [0,1,0,0,1,0|1,0,0]=3 10266 B17R2.20642 Fc1cccnc1CNC2CCCCCC2 2230a_100000210984_100000104219 [0,1,0,0,1,0|1,0,0]=3 10267 B17R2.20642 Fc1cccnc1CNC2CCCCCC2 270004a_100000210984_100011934734 [0,1,0,0,1,0|1,0,0]=3 10268 B17R2.20642 Fc1cccnc1CNC2CCCCCC2 270004a_100000690088_100000210131 [0,1,0,0,1,0|1,0,0]=3 10269 B17R2.20642 Fc1cccnc1CNC2CCCCCC2 34a_100000210984_100000104219 [0,1,0,0,1,0|1,0,0]=3 10270 B17R2.20642 Fc1cccnc1CNC2CCCCCC2 34a_100000690088_100011217769 [0,1,0,0,1,0|1,0,0]=3 10271 B17R2.20642 Fc1cccnc1CNC2CCCNCC2 270004a_100000690088_100015187895 [0,1,0,0,1,0|2,0,0]=4 10272 B17R2.20642 Fc1cccnc1COC2CCCCCC2 34a_100000210887_100000104219 [0,1,0,0,1,0|2,0,0]=4 10273 B17R2.20642 Fc1cccnc1COC2CCCCCC2 34a_100011934865_100011217769 [0,1,0,0,1,0|2,0,0]=4 10274 B17R2.20642 Fc1cccnc1COC2CCCCCC2 7a_100000210887_100000104219 [0,1,0,0,1,0|2,0,0]=4 10275 B17R2.20642 Fc1cccnc1CSC2CCCCCC2 62a_100000104219_100011217769 [0,1,0,0,1,0|2,0,0]=4 10276 B17R2.20642 Fc1cccnc1CSC2CCCCCC2 62a_100011217769_100000104219 [0,1,0,0,1,0|2,0,0]=4 10277 B17R2.20642 Fc1cccnc1OCC2CCCCCC2 34a_100011219419_200000696569 [0,1,0,0,1,0|2,0,0]=4 10278 B17R2.20642 Fc1cccnc1SCC2CCCCCC2 62a_100000685392_200000696569 [0,1,0,0,1,0|2,0,0]=4 10279 B17R2.20642 Fc1cccnc1SCC2CCCCCC2 62a_200000696569_100000685392 [0,1,0,0,1,0|2,0,0]=4 10280 B17R2.20642 Fc1ccncc1SCC2CCCCCC2 62a_100009820683_200000696569 [0,1,0,0,1,0|2,0,0]=4 10281 B17R2.20642 Fc1ccncc1SCC2CCCCCC2 62a_200000696569_100009820683 [0,1,0,0,1,0|2,0,0]=4 10282 B17R2.20642 Fc1cnccc1CNC2CCCCCC2 270004a_100011935246_100000210131 [0,1,0,0,1,0|1,0,0]=3 10283 B17R2.20642 Fc1cnccc1CNC2CCCCCC2 34a_100011935246_100011217769 [0,1,0,0,1,0|1,0,0]=3 10284 B17R2.20642 Fc1cnccc1CNC2CCCNCC2 270004a_100011935246_100015187895 [0,1,0,0,1,0|2,0,0]=4 10285 B17R2.20642 Fc1cnccc1COC2CCCCCC2 34a_100012172863_100011217769 [0,1,0,0,1,0|2,0,0]=4 10286 B17R2.20642 Fc1cnccc1NCC2CCCCCC2 27a_100015204231_100000035921 [0,1,0,0,1,0|2,0,0]=4 10287 B17R2.20642 Fc1cnccc1OCC2CCCCCC2 34a_200000081243_200000696569 [0,1,0,0,1,0|2,0,0]=4 10288 B17R2.20642 Fc1cnccc1SCC2CCCCCC2 62a_100000047030_200000696569 [0,1,0,0,1,0|2,0,0]=4 10289 B17R2.20642 Fc1cnccc1SCC2CCCCCC2 62a_200000696569_100000047030 [0,1,0,0,1,0|2,0,0]=4 10290 B17R2.20642 Fc1ncccc1CNC2CCCCCC2 2230a_100000210984_100000099810 [0,1,0,0,1,0|1,0,0]=3 10291 B17R2.20642 Fc1ncccc1CNC2CCCCCC2 270004a_100000724633_100000210131 [0,1,0,0,1,0|1,0,0]=3 10292 B17R2.20642 Fc1ncccc1CNC2CCCCCC2 34a_100000210984_100000099810 [0,1,0,0,1,0|1,0,0]=3 10293 B17R2.20642 Fc1ncccc1CNC2CCCCCC2 34a_100000724633_100011217769 [0,1,0,0,1,0|1,0,0]=3 10294 B17R2.20642 Fc1ncccc1CNC2CCCNCC2 270004a_100000724633_100015187895 [0,1,0,0,1,0|2,0,0]=4 10295 B17R2.20642 Fc1ncccc1COC2CCCCCC2 34a_100000079888_100011217769 [0,1,0,0,1,0|2,0,0]=4 10296 B17R2.20642 Fc1ncccc1COC2CCCCCC2 34a_100000210887_100000099810 [0,1,0,0,1,0|2,0,0]=4 10297 B17R2.20642 Fc1ncccc1COC2CCCCCC2 7a_100000210887_100000099810 [0,1,0,0,1,0|2,0,0]=4 10298 B17R2.20642 Fc1ncccc1CSC2CCCCCC2 62a_100000099810_100011217769 [0,1,0,0,1,0|2,0,0]=4 10299 B17R2.20642 Fc1ncccc1CSC2CCCCCC2 62a_100011217769_100000099810 [0,1,0,0,1,0|2,0,0]=4 10300 B17R2.20642 Fc1ncccc1OCC2CCCCCC2 34a_100000061740_200000696569 [0,1,0,0,1,0|2,0,0]=4 10301 B17R2.20642 Fc1ncccc1OCC2CCCCCC2 7a_100000061740_200000696569 [0,1,0,0,1,0|2,0,0]=4 10302 B17R2.20642 Fc1ncccc1SCC2CCCCCC2 62a_100009816115_200000696569 [0,1,0,0,1,0|2,0,0]=4 10303 B17R2.20642 Fc1ncccc1SCC2CCCCCC2 62a_200000696569_100009816115 [0,1,0,0,1,0|2,0,0]=4 10304 B17R2.20642 Ic1ccccc1CNC2CCCCCC2 207a_100000210984_100000010305 [0,1,0,0,1,0|0,0,0]=2 10305 B17R2.20642 Ic1ccccc1CNC2CCCCCC2 2230a_100000210984_100011215278 [0,1,0,0,1,0|0,0,0]=2 10306 B17R2.20642 Ic1ccccc1CNC2CCCCCC2 270004a_100000210984_100000010305 [0,1,0,0,1,0|0,0,0]=2 10307 B17R2.20642 Ic1ccccc1CNC2CCCCCC2 270004a_100015347259_100000210131 [0,1,0,0,1,0|0,0,0]=2 10308 B17R2.20642 Ic1ccccc1CNC2CCCCCC2 34a_100000210984_100011215278 [0,1,0,0,1,0|0,0,0]=2 10309 B17R2.20642 Ic1ccccc1CNC2CCCNCC2 270004a_100015347259_100015187895 [0,1,0,0,1,0|1,0,0]=3 10310 B17R2.20642 Ic1ccccc1CNC2CSCCSC2 270004a_100015347259_100000068409 [0,1,0,0,1,0|2,0,0]=4 10311 B17R2.20642 Ic1ccccc1COC2CCCCCC2 34a_100000187465_100011217769 [0,1,0,0,1,0|1,0,0]=3 10312 B17R2.20642 Ic1ccccc1COC2CCCCCC2 34a_100000210887_100011215278 [0,1,0,0,1,0|1,0,0]=3 10313 B17R2.20642 Ic1ccccc1COC2CCCCCC2 7a_100000210887_100011215278 [0,1,0,0,1,0|1,0,0]=3 10314 B17R2.20642 Ic1ccccc1CSC2CCCCCC2 62a_100011216222_100011217769 [0,1,0,0,1,0|1,0,0]=3 10315 B17R2.20642 Ic1ccccc1CSC2CCCCCC2 62a_100011217769_100011216222 [0,1,0,0,1,0|1,0,0]=3 10316 B17R2.20642 Ic1ccccc1NCC2CCCCCC2 34a_100000210053_200000696569 [0,1,0,0,1,0|1,0,0]=3 10317 B17R2.20642 Ic1ccccc1OCC2CCCCCC2 34a_100000739446_200000696569 [0,1,0,0,1,0|1,0,0]=3 10318 B17R2.20642 Ic1ccccc1OCC2CCCCCC2 7a_100000739446_200000696569 [0,1,0,0,1,0|1,0,0]=3 10319 B17R2.20642 Ic1ccncc1OCC2CCCCCC2 34a_100000050107_200000696569 [0,1,0,0,1,0|2,0,0]=4 10320 B17R2.20642 Ic1ncccc1OCC2CCCCCC2 34a_100000034122_200000696569 [0,1,0,0,1,0|2,0,0]=4 10321 B17R2.20642 Ic1ncccc1OCC2CCCCCC2 7a_100000034122_200000696569 [0,1,0,0,1,0|2,0,0]=4 10322 B17R2.20642 Nc1ccccc1COC2CCCCCC2 34a_100000212039_100011217769 [0,1,0,0,1,0|1,0,0]=3 10323 B17R2.20642 Nc1ccccc1OCC2CCCCCC2 34a_100000185747_200000696569 [0,1,0,0,1,0|1,0,0]=3 10324 B17R2.20642 Nc1ccccc1OCC2CCCCCC2 7a_100000185747_200000696569 [0,1,0,0,1,0|1,0,0]=3 10325 B17R2.20642 Nc1ccccc1SCC2CCCCCC2 62a_100000210017_200000696569 [0,1,0,0,1,0|1,0,0]=3 10326 B17R2.20642 Nc1ccccc1SCC2CCCCCC2 62a_200000696569_100000210017 [0,1,0,0,1,0|1,0,0]=3 10327 B17R2.20642 Nc1cccnc1COC2CCCCCC2 34a_114873767017_100011217769 [0,1,0,0,1,0|2,0,0]=4 10328 B17R2.20642 Nc1cccnc1OCC2CCCCCC2 34a_100000746358_200000696569 [0,1,0,0,1,0|2,0,0]=4 10329 B17R2.20642 Nc1cccnc1SCC2CCCCCC2 62a_100000688686_200000696569 [0,1,0,0,1,0|2,0,0]=4 10330 B17R2.20642 Nc1cccnc1SCC2CCCCCC2 62a_200000696569_100000688686 [0,1,0,0,1,0|2,0,0]=4 10331 B17R2.20642 Nc1ccncc1OCC2CCCCCC2 34a_100000753702_200000696569 [0,1,0,0,1,0|2,0,0]=4 10332 B17R2.20642 Nc1ccncc1SCC2CCCCCC2 62a_100000047001_200000696569 [0,1,0,0,1,0|2,0,0]=4 10333 B17R2.20642 Nc1ccncc1SCC2CCCCCC2 62a_200000696569_100000047001 [0,1,0,0,1,0|2,0,0]=4 10334 B17R2.20642 Nc1cnccc1SCC2CCCCCC2 62a_100000756074_200000696569 [0,1,0,0,1,0|2,0,0]=4 10335 B17R2.20642 Nc1cnccc1SCC2CCCCCC2 62a_200000696569_100000756074 [0,1,0,0,1,0|2,0,0]=4 10336 B17R2.20642 Nc1ncccc1OCC2CCCCCC2 34a_100000211975_200000696569 [0,1,0,0,1,0|2,0,0]=4 10337 B17R2.20642 Nc1ncccc1OCC2CCCCCC2 7a_100000211975_200000696569 [0,1,0,0,1,0|2,0,0]=4 10338 B17R2.20642 Nc1ncccc1SCC2CCCCCC2 62a_100000045569_200000696569 [0,1,0,0,1,0|2,0,0]=4 10339 B17R2.20642 Nc1ncccc1SCC2CCCCCC2 62a_200000696569_100000045569 [0,1,0,0,1,0|2,0,0]=4 10340 B17R2.20642 O=c1cc[nH]cc1SCC2CCCCCC2 62a_100009998708_200000696569 [0,1,0,0,1,0|2,0,0]=4 10341 B17R2.20642 O=c1cc[nH]cc1SCC2CCCCCC2 62a_200000696569_100009998708 [0,1,0,0,1,0|2,0,0]=4 10342 B17R2.20642 O=c1ccocc1OCC2CCCCCC2 34a_100000060831_200000696569 [0,1,0,0,1,0|2,0,0]=4 10343 B17R2.20642 O=c1occcc1OCC2CCCCCC2 34a_100000077404_200000696569 [0,1,0,0,1,0|2,0,0]=4 10344 B17R2.20642 O=c1occcc1OCC2CCCCCC2 7a_100000077404_200000696569 [0,1,0,0,1,0|2,0,0]=4 10345 B17R2.20642 Oc1ccccc1CCN2CCCCCC2 269982a_100000185865_100000722297 [0,1,0,0,1,0|1,0,0]=3 10346 B17R2.20642 Oc1ccccc1CCN2CCCCCC2 34a_100000185865_100000722297 [0,1,0,0,1,0|1,0,0]=3 10347 B17R2.20642 Oc1ccccc1CCN2CCCOCC2 269982a_100000685342_100000722297 [0,1,0,0,1,0|2,0,0]=4 10348 B17R2.20642 Oc1ccccc1CCN2CCCOCC2 34a_100000685342_100000722297 [0,1,0,0,1,0|2,0,0]=4 10349 B17R2.20642 Oc1ccccc1CNC2CCCCCC2 270004a_100000185550_100000210131 [0,1,0,0,1,0|0,0,0]=2 10350 B17R2.20642 Oc1ccccc1CNC2CCCCCC2 34a_100000185550_100011217769 [0,1,0,0,1,0|0,0,0]=2 10351 B17R2.20642 Oc1ccccc1CNC2CCCNCC2 270004a_100000185550_100015187895 [0,1,0,0,1,0|1,0,0]=3 10352 B17R2.20642 Oc1ccccc1CNC2CSCCSC2 270004a_100000185550_100000068409 [0,1,0,0,1,0|2,0,0]=4 10353 B17R2.20642 Oc1ccccc1NCC2CCCCCC2 34a_100000185747_200000696569 [0,1,0,0,1,0|1,0,0]=3 10354 B17R2.20642 Oc1ccccc1SCC2CCCCCC2 62a_100000739446_200000696569 [0,1,0,0,1,0|1,0,0]=3 10355 B17R2.20642 Oc1ccccc1SCC2CCCCCC2 62a_200000696569_100000739446 [0,1,0,0,1,0|1,0,0]=3 10356 B17R2.20642 Oc1cccnc1CNC2CCCCCC2 34a_100000210984_200020655725 [0,1,0,0,1,0|1,0,0]=3 10357 B17R2.20642 Oc1cccnc1COC2CCCCCC2 34a_100000210887_200020655725 [0,1,0,0,1,0|2,0,0]=4 10358 B17R2.20642 Oc1cccnc1COC2CCCCCC2 7a_100000210887_200020655725 [0,1,0,0,1,0|2,0,0]=4 10359 B17R2.20642 Oc1cccnc1CSC2CCCCCC2 62a_100011217769_200020655725 [0,1,0,0,1,0|2,0,0]=4 10360 B17R2.20642 Oc1cccnc1CSC2CCCCCC2 62a_200020655725_100011217769 [0,1,0,0,1,0|2,0,0]=4 10361 B17R2.20642 Oc1cccnc1SCC2CCCCCC2 62a_100000034122_200000696569 [0,1,0,0,1,0|2,0,0]=4 10362 B17R2.20642 Oc1cccnc1SCC2CCCCCC2 62a_200000696569_100000034122 [0,1,0,0,1,0|2,0,0]=4 10363 B17R2.20642 Oc1cnccc1SCC2CCCCCC2 62a_100009817591_200000696569 [0,1,0,0,1,0|2,0,0]=4 10364 B17R2.20642 Oc1cnccc1SCC2CCCCCC2 62a_200000696569_100009817591 [0,1,0,0,1,0|2,0,0]=4 10365 B17R2.20642 Oc1ncccc1CNC2CCCCCC2 207a_100000210984_100011998315 [0,1,0,0,1,0|1,0,0]=3 10366 B17R2.20642 Oc1ncccc1CNC2CCCCCC2 270004a_100000210984_100011998315 [0,1,0,0,1,0|1,0,0]=3 10367 B17R2.20642 Oc1ncccc1SCC2CCCCCC2 62a_100000760158_200000696569 [0,1,0,0,1,0|2,0,0]=4 10368 B17R2.20642 Oc1ncccc1SCC2CCCCCC2 62a_200000696569_100000760158 [0,1,0,0,1,0|2,0,0]=4 10369 B17R2.20642 S=c1cc[nH]cc1SCC2CCCCCC2 62a_200000696569_200012280681 [0,1,0,0,1,0|2,0,0]=4 10370 B17R2.20642 S=c1cc[nH]cc1SCC2CCCCCC2 62a_200012280681_200000696569 [0,1,0,0,1,0|2,0,0]=4 10371 B17R2.20642 [O-][n+]1ccccc1OCC2CCCCCC2 7a_100000211761_200000696569 [0,1,0,0,1,0|2,0,0]=4 10372 B17R2.20642 [O-][n+]1ccccc1SCC2CCCCCC2 62a_200000696569_200000042595 [0,1,0,0,1,0|2,0,0]=4 10373 B17R2.24159 CC1CCCN(CC1)CCc2ccccc2 2230a_100025706717_100000765856 [0,1,0,0,1,0|1,0,0]=3 10374 B17R2.24159 CC1CCCN(CC1)CCc2ccccc2 269982a_100025706717_100000765856 [0,1,0,0,1,0|1,0,0]=3 10375 B17R2.24159 CC1CCCN(CC1)CCc2ccccc2 34a_100025706717_100000765856 [0,1,0,0,1,0|1,0,0]=3 10376 B17R2.24159 CC1CCCN(CC1)CCc2ccccn2 2230a_100025706717_100015183660 [0,1,0,0,1,0|2,0,0]=4 10377 B17R2.24159 CC1CCCN(CC1)CCc2ccccn2 269982a_100025706717_100015183660 [0,1,0,0,1,0|2,0,0]=4 10378 B17R2.24159 CC1CCCN(CC1)CCc2cccnc2 2230a_100025706717_200011713674 [0,1,0,0,1,0|2,0,0]=4 10379 B17R2.24159 CC1CCCN(CC1)CCc2cccnc2 269982a_100025706717_200011713674 [0,1,0,0,1,0|2,0,0]=4 10380 B17R2.24159 CC1CCCN(CC1)CCc2ccncc2 2230a_100025706717_100000723409 [0,1,0,0,1,0|2,0,0]=4 10381 B17R2.24159 CC1CCCN(CC1)CCc2ccncc2 269982a_100025706717_100000723409 [0,1,0,0,1,0|2,0,0]=4 10382 B17R2.24159 CC1CCCN(CC1)CSc2ccccc2 2230a_100025706717_100011218342 [0,1,0,0,1,0|2,0,0]=4 10383 B17R2.24159 CC1CCCN(CC1)CSc2ccccc2 269982a_100025706717_100011218342 [0,1,0,0,1,0|2,0,0]=4 10384 B17R2.24159 CN1CCCN(CC1)CCc2ccccc2 2230a_100000211313_100000765856 [0,1,0,0,1,0|2,0,0]=4 10385 B17R2.24159 CN1CCCN(CC1)CCc2ccccc2 269982a_100000211313_100000765856 [0,1,0,0,1,0|2,0,0]=4 10386 B17R2.24159 CN1CCCN(CC1)CCc2ccccc2 269982a_200000246754_200000210301 [0,1,0,0,1,0|2,0,0]=4 10387 B17R2.24159 OC1CCCN(CC1)CCc2ccccc2 2230a_100015186869_100000765856 [0,1,0,0,1,0|1,0,0]=3 10388 B17R2.24159 OC1CCCN(CC1)CCc2ccccc2 269982a_100015186869_100000765856 [0,1,0,0,1,0|1,0,0]=3 10389 B17R2.24159 OC1CCCN(CC1)CCc2ccccn2 2230a_100015186869_100015183660 [0,1,0,0,1,0|2,0,0]=4 10390 B17R2.24159 OC1CCCN(CC1)CCc2ccccn2 269982a_100015186869_100015183660 [0,1,0,0,1,0|2,0,0]=4 10391 B17R2.24159 OC1CCCN(CC1)CCc2cccnc2 2230a_100015186869_200011713674 [0,1,0,0,1,0|2,0,0]=4 10392 B17R2.24159 OC1CCCN(CC1)CCc2cccnc2 269982a_100015186869_200011713674 [0,1,0,0,1,0|2,0,0]=4 10393 B17R2.24159 OC1CCCN(CC1)CCc2ccncc2 2230a_100015186869_100000723409 [0,1,0,0,1,0|2,0,0]=4 10394 B17R2.24159 OC1CCCN(CC1)CCc2ccncc2 269982a_100015186869_100000723409 [0,1,0,0,1,0|2,0,0]=4 10395 B17R2.24159 OC1CCCN(CC1)CSc2ccccc2 2230a_100015186869_100011218342 [0,1,0,0,1,0|2,0,0]=4 10396 B17R2.24159 OC1CCCN(CC1)CSc2ccccc2 269982a_100015186869_100011218342 [0,1,0,0,1,0|2,0,0]=4 10397 B17R2.24159 [13CH3]N1CCCN(CC1)CCc2ccccc2 269982a_200000246754_200025704644 [0,1,0,0,1,0|2,0,0]=4 10398 B17R2.45538 CC(CN1CCCCCC1)c2ccccc2 2230a_100000185865_100000756946 [0,1,0,0,1,0|1,0,0]=3 10399 B17R2.45538 CC(CN1CCCCCC1)c2ccccc2 269982a_100000185865_100000756946 [0,1,0,0,1,0|1,0,0]=3 10400 B17R2.45538 CC(CN1CCCCCC1)c2ccccc2 270004a_100000185865_100000212034 [0,1,0,0,1,0|1,0,0]=3 10401 B17R2.45538 CC(CN1CCCCCC1)c2ccccc2 34a_100000185865_100000756946 [0,1,0,0,1,0|1,0,0]=3 10402 B17R2.45538 CC(CN1CCCOCC1)c2ccccc2 2230a_100000685342_100000756946 [0,1,0,0,1,0|2,0,0]=4 10403 B17R2.45538 CC(CN1CCCOCC1)c2ccccc2 269982a_100000685342_100000756946 [0,1,0,0,1,0|2,0,0]=4 10404 B17R2.45538 CC(CN1CCCOCC1)c2ccccc2 270004a_100000685342_100000212034 [0,1,0,0,1,0|2,0,0]=4 10405 B17R2.45538 CC(CN1CCCOCC1)c2ccccc2 34a_100000685342_100000756946 [0,1,0,0,1,0|2,0,0]=4 10406 B17R2.45538 CC(NC1CCCCCC1)c2ccccc2 2230a_100000210984_100000230085 [0,1,0,0,1,0|0,0,0]=2 10407 B17R2.45538 CC(NC1CCCCCC1)c2ccccc2 269862a_100000210984_100000185851 [0,1,0,0,1,0|0,0,0]=2 10408 B17R2.45538 CC(NC1CCCCCC1)c2ccccc2 34a_100000210984_100000211855 [0,1,0,0,1,0|0,0,0]=2 10409 B17R2.45538 CC(NC1CCCCCC1)c2ccccn2 269862a_100000210984_100000210467 [0,1,0,0,1,0|1,0,0]=3 10410 B17R2.45538 CC(NC1CCCCCC1)c2ccccn2 270004a_100000181244_100000210131 [0,1,0,0,1,0|1,0,0]=3 10411 B17R2.45538 CC(NC1CCCCCC1)c2cccnc2 269862a_100000210984_100000210468 [0,1,0,0,1,0|1,0,0]=3 10412 B17R2.45538 CC(NC1CCCCCC1)c2cccnc2 270004a_100000195435_100000210131 [0,1,0,0,1,0|1,0,0]=3 10413 B17R2.45538 CC(NC1CCCCCC1)c2cccnn2 269862a_100000210984_100009866853 [0,1,0,0,1,0|2,0,0]=4 10414 B17R2.45538 CC(NC1CCCCCC1)c2ccncc2 269862a_100000210984_100000185792 [0,1,0,0,1,0|1,0,0]=3 10415 B17R2.45538 CC(NC1CCCCCC1)c2ccncc2 270004a_100000181269_100000210131 [0,1,0,0,1,0|1,0,0]=3 10416 B17R2.45538 CC(NC1CCCCCC1)c2ccnnc2 269862a_100000210984_100012182992 [0,1,0,0,1,0|2,0,0]=4 10417 B17R2.45538 CC(NC1CCCCCC1)c2cnccn2 2230a_100000210984_200000703233 [0,1,0,0,1,0|2,0,0]=4 10418 B17R2.45538 CC(NC1CCCCCC1)c2cnccn2 269862a_100000210984_100000751083 [0,1,0,0,1,0|2,0,0]=4 10419 B17R2.45538 CC(NC1CCCCCC1)c2cncnc2 269862a_100000210984_100000757475 [0,1,0,0,1,0|2,0,0]=4 10420 B17R2.45538 CC(NC1CCCCCC1)c2ncccn2 270004a_100000210984_100011350828 [0,1,0,0,1,0|2,0,0]=4 10421 B17R2.45538 CC(NC1CCCCCC1)c2ncccn2 270004a_100020641698_100000210131 [0,1,0,0,1,0|2,0,0]=4 10422 B17R2.45538 CC(NC1CCCNCC1)c2ccccn2 270004a_100000181244_100015187895 [0,1,0,0,1,0|2,0,0]=4 10423 B17R2.45538 CC(NC1CCCNCC1)c2cccnc2 270004a_100000195435_100015187895 [0,1,0,0,1,0|2,0,0]=4 10424 B17R2.45538 CC(NC1CCCNCC1)c2ccncc2 270004a_100000181269_100015187895 [0,1,0,0,1,0|2,0,0]=4 10425 B17R2.45538 CC(OC1CCCCCC1)c2ccccc2 34a_100000210887_100000211855 [0,1,0,0,1,0|1,0,0]=3 10426 B17R2.45538 CC(OC1CCCCCC1)c2ccccc2 7a_100000210887_100000230085 [0,1,0,0,1,0|1,0,0]=3 10427 B17R2.45538 CC(SC1CCCCCC1)c2ccccc2 62a_100000230085_100011217769 [0,1,0,0,1,0|1,0,0]=3 10428 B17R2.45538 CC(SC1CCCCCC1)c2ccccc2 62a_100011217769_100000230085 [0,1,0,0,1,0|1,0,0]=3 10429 B17R2.45538 CN(CC1CCCCCC1)c2ccccc2 2230a_100000210012_200000696569 [0,1,0,0,1,0|1,0,0]=3 10430 B17R2.45538 CN(CC1CCCCCC1)c2ccccc2 269982a_100000210012_200000696569 [0,1,0,0,1,0|1,0,0]=3 10431 B17R2.45538 CN(CC1CCCCCC1)c2ccccc2 34a_100000210012_200000696569 [0,1,0,0,1,0|1,0,0]=3 10432 B17R2.45538 C[C@@H](NC1CCCCCC1)c2ccccc2 270004a_100000751104_100000210131 [0,1,0,0,1,0|0,0,0]=2 10433 B17R2.45538 C[C@@H](NC1CCCCCC1)c2cnccn2 270004a_100020589798_100000210131 [0,1,0,0,1,0|2,0,0]=4 10434 B17R2.45538 C[C@@H](NC1CCCNCC1)c2ccccc2 270004a_100000751104_100015187895 [0,1,0,0,1,0|1,0,0]=3 10435 B17R2.45538 C[C@@H](NC1CSCCSC1)c2ccccc2 270004a_100000751104_100000068409 [0,1,0,0,1,0|2,0,0]=4 10436 B17R2.45538 C[C@@H](OC1CCCCCC1)c2ccccc2 34a_100000761318_100011217769 [0,1,0,0,1,0|1,0,0]=3 10437 B17R2.45538 O=C(CC1CCCCCC1)c2ccccc2 1458a_100000185807_200000696569 [0,1,0,0,1,0|0,0,1]=3 10438 B17R2.45538 O=C(CN1CCCCCC1)c2ccccc2 269982a_100000185865_100000211460 [0,1,0,0,1,0|1,0,1]=4 10439 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 11a_100000210984_100000185807 [0,1,0,0,1,0|0,0,1]=3 10440 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 1626a_100000210984_100000185807 [0,1,0,0,1,0|0,0,1]=3 10441 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 240690a_100000210984_100000185807 [0,1,0,0,1,0|0,0,1]=3 10442 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 527a_100000210984_100000185807 [0,1,0,0,1,0|0,0,1]=3 10443 B17R2.45538 O=S(CN1CCCCCC1)c2ccccc2 269982a_100000185865_100000031784 [0,1,0,0,1,0|2,0,0]=4 10444 B17R2.45538 OC(CN1CCCCCC1)c2ccccc2 2230a_100000185865_100000185958 [0,1,0,0,1,0|1,0,0]=3 10445 B17R2.45538 OC(CN1CCCCCC1)c2ccccc2 34a_100000185865_100000185958 [0,1,0,0,1,0|1,0,0]=3 10446 B17R2.45538 OC(CN1CCCOCC1)c2ccccc2 2230a_100000685342_100000185958 [0,1,0,0,1,0|2,0,0]=4 10447 B17R2.45538 OC(CN1CCCOCC1)c2ccccc2 34a_100000685342_100000185958 [0,1,0,0,1,0|2,0,0]=4 10448 B17R2.45538 O[C@H](CN1CCCCCC1)c2ccccc2 2230a_100000185865_100011933945 [0,1,0,0,1,0|1,0,0]=3 10449 B17R2.45538 O[C@H](CN1CCCCCC1)c2ccccc2 34a_100000185865_100011933945 [0,1,0,0,1,0|1,0,0]=3 10450 B17R2.45538 O[C@H](CN1CCCOCC1)c2ccccc2 2230a_100000685342_100011933945 [0,1,0,0,1,0|2,0,0]=4 10451 B17R2.45538 O[C@H](CN1CCCOCC1)c2ccccc2 34a_100000685342_100011933945 [0,1,0,0,1,0|2,0,0]=4 10452 B17R2.45575 CC(C[n+]1ccccc1)N2CCCCCC2 270004a_100000185865_100000034229 [0,1,0,0,1,0|2,0,0]=4 10453 B17R2.45575 CC(Cc1ccccc1)N2CCCCCC2 269982a_100000185865_200011218536 [0,1,0,0,1,0|1,0,0]=3 10454 B17R2.45575 CC(Cc1ccccc1)N2CCCCCC2 34a_100000185865_200011218536 [0,1,0,0,1,0|1,0,0]=3 10455 B17R2.45575 CC(Cc1ccccc1)N2CCCOCC2 269982a_100000685342_200011218536 [0,1,0,0,1,0|2,0,0]=4 10456 B17R2.45575 CC(Cc1ccccc1)N2CCCOCC2 34a_100000685342_200011218536 [0,1,0,0,1,0|2,0,0]=4 10457 B17R2.45575 CC(Cc1cccnc1)N2CCCCCC2 270004a_100000185865_100015187140 [0,1,0,0,1,0|2,0,0]=4 10458 B17R2.45575 CC(Cc1ccncc1)N2CCCCCC2 270004a_100000185865_100000238508 [0,1,0,0,1,0|2,0,0]=4 10459 B17R2.45575 CN(Cc1ccccc1)C2CCCCCC2 2230a_100015185097_100015291786 [0,1,0,0,1,0|0,0,0]=2 10460 B17R2.45575 CN(Cc1ccccc1)C2CCCCCC2 269982a_100000186898_100011217769 [0,1,0,0,1,0|0,0,0]=2 10461 B17R2.45575 CN(Cc1ccccc1)C2CCCCCC2 269982a_100015185097_100000211182 [0,1,0,0,1,0|0,0,0]=2 10462 B17R2.45575 CN(Cc1ccccc1)C2CCCCCC2 270004a_100000186898_100000210131 [0,1,0,0,1,0|0,0,0]=2 10463 B17R2.45575 CN(Cc1ccccc1)C2CCCCCC2 270004a_100015185097_100015611070 [0,1,0,0,1,0|0,0,0]=2 10464 B17R2.45575 CN(Cc1ccccc1)C2CCCCCC2 34a_100015185097_100015291786 [0,1,0,0,1,0|0,0,0]=2 10465 B17R2.45575 CN(Cc1ccccc1)C2CCCNCC2 270004a_100000186898_100015187895 [0,1,0,0,1,0|1,0,0]=3 10466 B17R2.45575 CN(Cc1ccccc1)C2CSCCSC2 270004a_100000186898_100000068409 [0,1,0,0,1,0|2,0,0]=4 10467 B17R2.45575 CN(Cc1ccccn1)C2CCCCCC2 2230a_100015185097_100000721315 [0,1,0,0,1,0|1,0,0]=3 10468 B17R2.45575 CN(Cc1ccccn1)C2CCCCCC2 269982a_100000207498_100011217769 [0,1,0,0,1,0|1,0,0]=3 10469 B17R2.45575 CN(Cc1ccccn1)C2CCCCCC2 269982a_100015185097_100000721315 [0,1,0,0,1,0|1,0,0]=3 10470 B17R2.45575 CN(Cc1ccccn1)C2CCCCCC2 270004a_100000207498_100000210131 [0,1,0,0,1,0|1,0,0]=3 10471 B17R2.45575 CN(Cc1ccccn1)C2CCCCCC2 270004a_100015185097_100000209966 [0,1,0,0,1,0|1,0,0]=3 10472 B17R2.45575 CN(Cc1ccccn1)C2CCCCCC2 34a_100015185097_100000721315 [0,1,0,0,1,0|1,0,0]=3 10473 B17R2.45575 CN(Cc1ccccn1)C2CCCNCC2 270004a_100000207498_100015187895 [0,1,0,0,1,0|2,0,0]=4 10474 B17R2.45575 CN(Cc1cccnc1)C2CCCCCC2 2230a_100015185097_100000741622 [0,1,0,0,1,0|1,0,0]=3 10475 B17R2.45575 CN(Cc1cccnc1)C2CCCCCC2 269982a_100000184577_100011217769 [0,1,0,0,1,0|1,0,0]=3 10476 B17R2.45575 CN(Cc1cccnc1)C2CCCCCC2 269982a_100015185097_100000733263 [0,1,0,0,1,0|1,0,0]=3 10477 B17R2.45575 CN(Cc1cccnc1)C2CCCCCC2 270004a_100000184577_100000210131 [0,1,0,0,1,0|1,0,0]=3 10478 B17R2.45575 CN(Cc1cccnc1)C2CCCCCC2 270004a_100015185097_100000209961 [0,1,0,0,1,0|1,0,0]=3 10479 B17R2.45575 CN(Cc1cccnc1)C2CCCCCC2 34a_100015185097_100000733263 [0,1,0,0,1,0|1,0,0]=3 10480 B17R2.45575 CN(Cc1cccnc1)C2CCCNCC2 270004a_100000184577_100015187895 [0,1,0,0,1,0|2,0,0]=4 10481 B17R2.45575 CN(Cc1cccnn1)C2CCCCCC2 2230a_100015185097_100016990269 [0,1,0,0,1,0|2,0,0]=4 10482 B17R2.45575 CN(Cc1cccnn1)C2CCCCCC2 34a_100015185097_100016990269 [0,1,0,0,1,0|2,0,0]=4 10483 B17R2.45575 CN(Cc1ccncc1)C2CCCCCC2 2230a_100015185097_100015193705 [0,1,0,0,1,0|1,0,0]=3 10484 B17R2.45575 CN(Cc1ccncc1)C2CCCCCC2 269982a_100000187231_100011217769 [0,1,0,0,1,0|1,0,0]=3 10485 B17R2.45575 CN(Cc1ccncc1)C2CCCCCC2 269982a_100015185097_100015193705 [0,1,0,0,1,0|1,0,0]=3 10486 B17R2.45575 CN(Cc1ccncc1)C2CCCCCC2 270004a_100000187231_100000210131 [0,1,0,0,1,0|1,0,0]=3 10487 B17R2.45575 CN(Cc1ccncc1)C2CCCNCC2 270004a_100000187231_100015187895 [0,1,0,0,1,0|2,0,0]=4 10488 B17R2.45575 CN(Cc1ccnnc1)C2CCCCCC2 270004a_100015185097_100011934578 [0,1,0,0,1,0|2,0,0]=4 10489 B17R2.45575 CN(Cc1cnccn1)C2CCCCCC2 2230a_100015185097_100016995436 [0,1,0,0,1,0|2,0,0]=4 10490 B17R2.45575 CN(Cc1cnccn1)C2CCCCCC2 269982a_100011269079_100011217769 [0,1,0,0,1,0|2,0,0]=4 10491 B17R2.45575 CN(Cc1cnccn1)C2CCCCCC2 269982a_100015185097_100016995436 [0,1,0,0,1,0|2,0,0]=4 10492 B17R2.45575 CN(Cc1cnccn1)C2CCCCCC2 270004a_100011269079_100000210131 [0,1,0,0,1,0|2,0,0]=4 10493 B17R2.45575 CN(Cc1cnccn1)C2CCCCCC2 270004a_100015185097_100000749867 [0,1,0,0,1,0|2,0,0]=4 10494 B17R2.45575 CN(Cc1cnccn1)C2CCCCCC2 34a_100015185097_100016995436 [0,1,0,0,1,0|2,0,0]=4 10495 B17R2.45575 CN(Cc1cncnc1)C2CCCCCC2 2230a_100015185097_100015196519 [0,1,0,0,1,0|2,0,0]=4 10496 B17R2.45575 CN(Cc1cncnc1)C2CCCCCC2 269982a_100015185097_100016991940 [0,1,0,0,1,0|2,0,0]=4 10497 B17R2.45575 CN(Cc1cncnc1)C2CCCCCC2 270004a_100015185097_100000749868 [0,1,0,0,1,0|2,0,0]=4 10498 B17R2.45575 CN(Cc1cncnc1)C2CCCCCC2 34a_100015185097_100015196519 [0,1,0,0,1,0|2,0,0]=4 10499 B17R2.45575 CN(Cc1ncccn1)C2CCCCCC2 2230a_100015185097_100000703007 [0,1,0,0,1,0|2,0,0]=4 10500 B17R2.45575 CN(Cc1ncccn1)C2CCCCCC2 269982a_100015185097_100000703007 [0,1,0,0,1,0|2,0,0]=4 10501 B17R2.45575 CN(Cc1ncccn1)C2CCCCCC2 269982a_100025716638_100011217769 [0,1,0,0,1,0|2,0,0]=4 10502 B17R2.45575 CN(Cc1ncccn1)C2CCCCCC2 270004a_100015185097_100011532527 [0,1,0,0,1,0|2,0,0]=4 10503 B17R2.45575 CN(Cc1ncccn1)C2CCCCCC2 34a_100015185097_100000703007 [0,1,0,0,1,0|2,0,0]=4 10504 B17R2.45575 O=C(C[n+]1ccccc1)C2CCCCCC2 1458a_200000086051_100011217769 [0,1,0,0,1,0|1,0,1]=4 10505 B17R2.45575 O=C(Cc1ccccc1)C2CCCCCC2 1458a_100000749507_100015291786 [0,1,0,0,1,0|0,0,1]=3 10506 B17R2.45575 O=C(Cc1ccccn1)C2CCCCCC2 1458a_100000233486_100011217769 [0,1,0,0,1,0|1,0,1]=4 10507 B17R2.45575 O=C(Cc1ccccn1)C2CCCCCC2 1458a_100000749507_100000721315 [0,1,0,0,1,0|1,0,1]=4 10508 B17R2.45575 O=C(Cc1cccnc1)C2CCCCCC2 1458a_100000737805_100011217769 [0,1,0,0,1,0|1,0,1]=4 10509 B17R2.45575 O=C(Cc1cccnc1)C2CCCCCC2 1458a_100000749507_100000733263 [0,1,0,0,1,0|1,0,1]=4 10510 B17R2.45575 O=C(Cc1ccncc1)C2CCCCCC2 1458a_100000749507_100000705612 [0,1,0,0,1,0|1,0,1]=4 10511 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 11a_100000106764_100000749507 [0,1,0,0,1,0|1,0,1]=4 10512 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 1626a_100000106764_100000749507 [0,1,0,0,1,0|1,0,1]=4 10513 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 22a_100000106764_100000749507 [0,1,0,0,1,0|1,0,1]=4 10514 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 527a_100000106764_100000749507 [0,1,0,0,1,0|1,0,1]=4 10515 B17R2.57108 Brc1ccc(cc1)CCN2CCCCCC2 2230a_100000185865_100011740612 [0,1,0,0,1,0|1,0,0]=3 10516 B17R2.57108 Brc1ccc(cc1)CCN2CCCCCC2 269982a_100000185865_100011740612 [0,1,0,0,1,0|1,0,0]=3 10517 B17R2.57108 Brc1ccc(cc1)CCN2CCCCCC2 34a_100000185865_100011740612 [0,1,0,0,1,0|1,0,0]=3 10518 B17R2.57108 Brc1ccc(cc1)CCN2CCCOCC2 2230a_100000685342_100011740612 [0,1,0,0,1,0|2,0,0]=4 10519 B17R2.57108 Brc1ccc(cc1)CCN2CCCOCC2 269982a_100000685342_100011740612 [0,1,0,0,1,0|2,0,0]=4 10520 B17R2.57108 Brc1ccc(cc1)CCN2CCCOCC2 34a_100000685342_100011740612 [0,1,0,0,1,0|2,0,0]=4 10521 B17R2.57108 Brc1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100000186029 [0,1,0,0,1,0|0,0,0]=2 10522 B17R2.57108 Brc1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100011217064 [0,1,0,0,1,0|0,0,0]=2 10523 B17R2.57108 Brc1ccc(cc1)CNC2CCCCCC2 270004a_100000174875_100000210131 [0,1,0,0,1,0|0,0,0]=2 10524 B17R2.57108 Brc1ccc(cc1)CNC2CCCCCC2 270004a_100000210984_100000186029 [0,1,0,0,1,0|0,0,0]=2 10525 B17R2.57108 Brc1ccc(cc1)CNC2CCCCCC2 34a_100000174875_100011217769 [0,1,0,0,1,0|0,0,0]=2 10526 B17R2.57108 Brc1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100000189115 [0,1,0,0,1,0|0,0,0]=2 10527 B17R2.57108 Brc1ccc(cc1)CNC2CCCNCC2 270004a_100000174875_100015187895 [0,1,0,0,1,0|1,0,0]=3 10528 B17R2.57108 Brc1ccc(cc1)CNC2CSCCSC2 270004a_100000174875_100000068409 [0,1,0,0,1,0|2,0,0]=4 10529 B17R2.57108 Brc1ccc(cc1)COC2CCCCCC2 34a_100000210887_100000189115 [0,1,0,0,1,0|1,0,0]=3 10530 B17R2.57108 Brc1ccc(cc1)COC2CCCCCC2 34a_100000695286_100011217769 [0,1,0,0,1,0|1,0,0]=3 10531 B17R2.57108 Brc1ccc(cc1)COC2CCCCCC2 7a_100000210887_100011217064 [0,1,0,0,1,0|1,0,0]=3 10532 B17R2.57108 Brc1ccc(cc1)CSC2CCCCCC2 62a_100000189115_100011217769 [0,1,0,0,1,0|1,0,0]=3 10533 B17R2.57108 Brc1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100000189115 [0,1,0,0,1,0|1,0,0]=3 10534 B17R2.57108 Brc1ccc(cc1)NCC2CCCCCC2 2230a_100000210018_200000696569 [0,1,0,0,1,0|1,0,0]=3 10535 B17R2.57108 Brc1ccc(cc1)NCC2CCCCCC2 34a_100000210018_200000696569 [0,1,0,0,1,0|1,0,0]=3 10536 B17R2.57108 Brc1ccc(cc1)OCC2CCCCCC2 34a_100000185759_200000696569 [0,1,0,0,1,0|1,0,0]=3 10537 B17R2.57108 Brc1ccc(cc1)OCC2CCCCCC2 7a_100000185759_200000696569 [0,1,0,0,1,0|1,0,0]=3 10538 B17R2.57108 Brc1ccc(cc1)SCC2CCCCCC2 62a_100000752885_200000696569 [0,1,0,0,1,0|1,0,0]=3 10539 B17R2.57108 Brc1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000752885 [0,1,0,0,1,0|1,0,0]=3 10540 B17R2.57108 Brc1ccc(cn1)CNC2CCCCCC2 2230a_100000210984_100009831999 [0,1,0,0,1,0|1,0,0]=3 10541 B17R2.57108 Brc1ccc(cn1)CNC2CCCCCC2 270004a_100009817727_100000210131 [0,1,0,0,1,0|1,0,0]=3 10542 B17R2.57108 Brc1ccc(cn1)CNC2CCCCCC2 34a_100000210984_100009831999 [0,1,0,0,1,0|1,0,0]=3 10543 B17R2.57108 Brc1ccc(cn1)CNC2CCCCCC2 34a_100009817727_100011217769 [0,1,0,0,1,0|1,0,0]=3 10544 B17R2.57108 Brc1ccc(cn1)CNC2CCCNCC2 270004a_100009817727_100015187895 [0,1,0,0,1,0|2,0,0]=4 10545 B17R2.57108 Brc1ccc(cn1)COC2CCCCCC2 34a_100000210887_100009831999 [0,1,0,0,1,0|2,0,0]=4 10546 B17R2.57108 Brc1ccc(cn1)COC2CCCCCC2 34a_100009816760_100011217769 [0,1,0,0,1,0|2,0,0]=4 10547 B17R2.57108 Brc1ccc(cn1)COC2CCCCCC2 7a_100000210887_100009831999 [0,1,0,0,1,0|2,0,0]=4 10548 B17R2.57108 Brc1ccc(cn1)CSC2CCCCCC2 62a_100009831999_100011217769 [0,1,0,0,1,0|2,0,0]=4 10549 B17R2.57108 Brc1ccc(cn1)CSC2CCCCCC2 62a_100011217769_100009831999 [0,1,0,0,1,0|2,0,0]=4 10550 B17R2.57108 Brc1ccc(cn1)OCC2CCCCCC2 34a_100000685995_200000696569 [0,1,0,0,1,0|2,0,0]=4 10551 B17R2.57108 Brc1ccc(cn1)OCC2CCCCCC2 7a_100000685995_200000696569 [0,1,0,0,1,0|2,0,0]=4 10552 B17R2.57108 Brc1ccc(cn1)SCC2CCCCCC2 62a_100009814638_200000696569 [0,1,0,0,1,0|2,0,0]=4 10553 B17R2.57108 Brc1ccc(cn1)SCC2CCCCCC2 62a_200000696569_100009814638 [0,1,0,0,1,0|2,0,0]=4 10554 B17R2.57108 Brc1ccc(nc1)CNC2CCCCCC2 207a_100000210984_100000754260 [0,1,0,0,1,0|1,0,0]=3 10555 B17R2.57108 Brc1ccc(nc1)CNC2CCCCCC2 2230a_100000210984_100000702658 [0,1,0,0,1,0|1,0,0]=3 10556 B17R2.57108 Brc1ccc(nc1)CNC2CCCCCC2 270004a_100000210984_100000754260 [0,1,0,0,1,0|1,0,0]=3 10557 B17R2.57108 Brc1ccc(nc1)CNC2CCCCCC2 34a_100000210984_100000702658 [0,1,0,0,1,0|1,0,0]=3 10558 B17R2.57108 Brc1ccc(nc1)CNC2CCCCCC2 34a_100015188789_100011217769 [0,1,0,0,1,0|1,0,0]=3 10559 B17R2.57108 Brc1ccc(nc1)COC2CCCCCC2 34a_100000210887_100000702658 [0,1,0,0,1,0|2,0,0]=4 10560 B17R2.57108 Brc1ccc(nc1)COC2CCCCCC2 34a_100000754261_100011217769 [0,1,0,0,1,0|2,0,0]=4 10561 B17R2.57108 Brc1ccc(nc1)COC2CCCCCC2 7a_100000210887_100000702658 [0,1,0,0,1,0|2,0,0]=4 10562 B17R2.57108 Brc1ccc(nc1)CSC2CCCCCC2 62a_100000702658_100011217769 [0,1,0,0,1,0|2,0,0]=4 10563 B17R2.57108 Brc1ccc(nc1)CSC2CCCCCC2 62a_100011217769_100000702658 [0,1,0,0,1,0|2,0,0]=4 10564 B17R2.57108 Brc1ccc(nc1)NCC2CCCCCC2 27a_100015204231_100000686858 [0,1,0,0,1,0|2,0,0]=4 10565 B17R2.57108 Brc1ccc(nc1)SCC2CCCCCC2 62a_100000686858_200000696569 [0,1,0,0,1,0|2,0,0]=4 10566 B17R2.57108 Brc1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100000686858 [0,1,0,0,1,0|2,0,0]=4 10567 B17R2.57108 Brc1cnc(nc1)CNC2CCCCCC2 34a_100000210984_100010064664 [0,1,0,0,1,0|2,0,0]=4 10568 B17R2.57108 C[n+]1ccc(cc1)COC2CCCCCC2 34a_100009831711_100011217769 [0,1,0,0,1,0|2,0,0]=4 10569 B17R2.57108 Cc1ccc(cc1)CCN2CCCCCC2 2230a_100000185865_100011713686 [0,1,0,0,1,0|1,0,0]=3 10570 B17R2.57108 Cc1ccc(cc1)CCN2CCCCCC2 269982a_100000185865_100011713686 [0,1,0,0,1,0|1,0,0]=3 10571 B17R2.57108 Cc1ccc(cc1)CCN2CCCCCC2 34a_100000185865_100011713686 [0,1,0,0,1,0|1,0,0]=3 10572 B17R2.57108 Cc1ccc(cc1)CCN2CCCOCC2 2230a_100000685342_100011713686 [0,1,0,0,1,0|2,0,0]=4 10573 B17R2.57108 Cc1ccc(cc1)CCN2CCCOCC2 269982a_100000685342_100011713686 [0,1,0,0,1,0|2,0,0]=4 10574 B17R2.57108 Cc1ccc(cc1)CCN2CCCOCC2 34a_100000685342_100011713686 [0,1,0,0,1,0|2,0,0]=4 10575 B17R2.57108 Cc1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100000211033 [0,1,0,0,1,0|0,0,0]=2 10576 B17R2.57108 Cc1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100000210814 [0,1,0,0,1,0|0,0,0]=2 10577 B17R2.57108 Cc1ccc(cc1)CNC2CCCCCC2 270004a_100000174908_100000210131 [0,1,0,0,1,0|0,0,0]=2 10578 B17R2.57108 Cc1ccc(cc1)CNC2CCCCCC2 270004a_100000210984_100000211033 [0,1,0,0,1,0|0,0,0]=2 10579 B17R2.57108 Cc1ccc(cc1)CNC2CCCCCC2 34a_100000174908_100011217769 [0,1,0,0,1,0|0,0,0]=2 10580 B17R2.57108 Cc1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100000210814 [0,1,0,0,1,0|0,0,0]=2 10581 B17R2.57108 Cc1ccc(cc1)CNC2CCCNCC2 270004a_100000174908_100015187895 [0,1,0,0,1,0|1,0,0]=3 10582 B17R2.57108 Cc1ccc(cc1)CNC2CSCCSC2 270004a_100000174908_100000068409 [0,1,0,0,1,0|2,0,0]=4 10583 B17R2.57108 Cc1ccc(cc1)COC2CCCCCC2 34a_100000210887_100000210814 [0,1,0,0,1,0|1,0,0]=3 10584 B17R2.57108 Cc1ccc(cc1)COC2CCCCCC2 34a_100011215236_100011217769 [0,1,0,0,1,0|1,0,0]=3 10585 B17R2.57108 Cc1ccc(cc1)COC2CCCCCC2 7a_100000210887_100000210814 [0,1,0,0,1,0|1,0,0]=3 10586 B17R2.57108 Cc1ccc(cc1)CSC2CCCCCC2 62a_100000210814_100011217769 [0,1,0,0,1,0|1,0,0]=3 10587 B17R2.57108 Cc1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100000210814 [0,1,0,0,1,0|1,0,0]=3 10588 B17R2.57108 Cc1ccc(cc1)NCC2CCCCCC2 34a_100000124888_200000696569 [0,1,0,0,1,0|1,0,0]=3 10589 B17R2.57108 Cc1ccc(cc1)OCC2CCCCCC2 34a_100000210336_200000696569 [0,1,0,0,1,0|1,0,0]=3 10590 B17R2.57108 Cc1ccc(cc1)OCC2CCCCCC2 7a_100000210336_200000696569 [0,1,0,0,1,0|1,0,0]=3 10591 B17R2.57108 Cc1ccc(cc1)SCC2CCCCCC2 62a_100000186775_200000696569 [0,1,0,0,1,0|1,0,0]=3 10592 B17R2.57108 Cc1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000186775 [0,1,0,0,1,0|1,0,0]=3 10593 B17R2.57108 Cc1ccc(cn1)CNC2CCCCCC2 2230a_100000210984_100016987292 [0,1,0,0,1,0|1,0,0]=3 10594 B17R2.57108 Cc1ccc(cn1)CNC2CCCCCC2 270004a_100000210984_100000743784 [0,1,0,0,1,0|1,0,0]=3 10595 B17R2.57108 Cc1ccc(cn1)CNC2CCCCCC2 270004a_100000740942_100000210131 [0,1,0,0,1,0|1,0,0]=3 10596 B17R2.57108 Cc1ccc(cn1)CNC2CCCCCC2 34a_100000210984_100016987292 [0,1,0,0,1,0|1,0,0]=3 10597 B17R2.57108 Cc1ccc(cn1)CNC2CCCCCC2 34a_100000740942_100011217769 [0,1,0,0,1,0|1,0,0]=3 10598 B17R2.57108 Cc1ccc(cn1)CNC2CCCNCC2 270004a_100000740942_100015187895 [0,1,0,0,1,0|2,0,0]=4 10599 B17R2.57108 Cc1ccc(cn1)COC2CCCCCC2 34a_100000210887_100016987292 [0,1,0,0,1,0|2,0,0]=4 10600 B17R2.57108 Cc1ccc(cn1)COC2CCCCCC2 34a_100011248133_100011217769 [0,1,0,0,1,0|2,0,0]=4 10601 B17R2.57108 Cc1ccc(cn1)COC2CCCCCC2 7a_100000210887_100016987292 [0,1,0,0,1,0|2,0,0]=4 10602 B17R2.57108 Cc1ccc(cn1)CSC2CCCCCC2 62a_100011217769_100016987292 [0,1,0,0,1,0|2,0,0]=4 10603 B17R2.57108 Cc1ccc(cn1)CSC2CCCCCC2 62a_100016987292_100011217769 [0,1,0,0,1,0|2,0,0]=4 10604 B17R2.57108 Cc1ccc(cn1)OCC2CCCCCC2 34a_100000745506_200000696569 [0,1,0,0,1,0|2,0,0]=4 10605 B17R2.57108 Cc1ccc(cn1)OCC2CCCCCC2 7a_100000745506_200000696569 [0,1,0,0,1,0|2,0,0]=4 10606 B17R2.57108 Cc1ccc(cn1)SCC2CCCCCC2 62a_100000751577_200000696569 [0,1,0,0,1,0|2,0,0]=4 10607 B17R2.57108 Cc1ccc(cn1)SCC2CCCCCC2 62a_200000696569_100000751577 [0,1,0,0,1,0|2,0,0]=4 10608 B17R2.57108 Cc1ccc(nc1)CNC2CCCCCC2 207a_100000210984_100000050478 [0,1,0,0,1,0|1,0,0]=3 10609 B17R2.57108 Cc1ccc(nc1)CNC2CCCCCC2 2230a_100000210984_100000691093 [0,1,0,0,1,0|1,0,0]=3 10610 B17R2.57108 Cc1ccc(nc1)CNC2CCCCCC2 270004a_100000210984_100000050478 [0,1,0,0,1,0|1,0,0]=3 10611 B17R2.57108 Cc1ccc(nc1)CNC2CCCCCC2 34a_100000210984_100000691093 [0,1,0,0,1,0|1,0,0]=3 10612 B17R2.57108 Cc1ccc(nc1)CNC2CCCCCC2 34a_100015187455_100011217769 [0,1,0,0,1,0|1,0,0]=3 10613 B17R2.57108 Cc1ccc(nc1)COC2CCCCCC2 34a_100000210887_100000691093 [0,1,0,0,1,0|2,0,0]=4 10614 B17R2.57108 Cc1ccc(nc1)COC2CCCCCC2 34a_100012001401_100011217769 [0,1,0,0,1,0|2,0,0]=4 10615 B17R2.57108 Cc1ccc(nc1)COC2CCCCCC2 7a_100000210887_100000691093 [0,1,0,0,1,0|2,0,0]=4 10616 B17R2.57108 Cc1ccc(nc1)CSC2CCCCCC2 62a_100000691093_100011217769 [0,1,0,0,1,0|2,0,0]=4 10617 B17R2.57108 Cc1ccc(nc1)CSC2CCCCCC2 62a_100011217769_100000691093 [0,1,0,0,1,0|2,0,0]=4 10618 B17R2.57108 Cc1ccc(nc1)OCC2CCCCCC2 34a_100000759353_200000696569 [0,1,0,0,1,0|2,0,0]=4 10619 B17R2.57108 Cc1ccc(nc1)SCC2CCCCCC2 62a_100011192072_200000696569 [0,1,0,0,1,0|2,0,0]=4 10620 B17R2.57108 Cc1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100000754016 [0,1,0,0,1,0|2,0,0]=4 10621 B17R2.57108 Cc1cnc(cn1)CNC2CCCCCC2 2230a_100000210984_100000752025 [0,1,0,0,1,0|2,0,0]=4 10622 B17R2.57108 Cc1cnc(cn1)CNC2CCCCCC2 270004a_100000210984_100000685221 [0,1,0,0,1,0|2,0,0]=4 10623 B17R2.57108 Cc1cnc(cn1)CNC2CCCCCC2 34a_100132314150_100011217769 [0,1,0,0,1,0|2,0,0]=4 10624 B17R2.57108 Cc1cnc(nc1)CNC2CCCCCC2 2230a_100000210984_100000685645 [0,1,0,0,1,0|2,0,0]=4 10625 B17R2.57108 Cc1cnc(nc1)CNC2CCCCCC2 34a_100000210984_100000685645 [0,1,0,0,1,0|2,0,0]=4 10626 B17R2.57108 Cc1ncc(cn1)CNC2CCCCCC2 270004a_100000210984_100011202771 [0,1,0,0,1,0|2,0,0]=4 10627 B17R2.57108 Clc1ccc(cc1)CCN2CCCCCC2 2230a_100000185865_100011713675 [0,1,0,0,1,0|1,0,0]=3 10628 B17R2.57108 Clc1ccc(cc1)CCN2CCCCCC2 269982a_100000185865_100011713675 [0,1,0,0,1,0|1,0,0]=3 10629 B17R2.57108 Clc1ccc(cc1)CCN2CCCCCC2 34a_100000185865_100011713675 [0,1,0,0,1,0|1,0,0]=3 10630 B17R2.57108 Clc1ccc(cc1)CCN2CCCOCC2 2230a_100000685342_100011713675 [0,1,0,0,1,0|2,0,0]=4 10631 B17R2.57108 Clc1ccc(cc1)CCN2CCCOCC2 269982a_100000685342_100011713675 [0,1,0,0,1,0|2,0,0]=4 10632 B17R2.57108 Clc1ccc(cc1)CCN2CCCOCC2 34a_100000685342_100011713675 [0,1,0,0,1,0|2,0,0]=4 10633 B17R2.57108 Clc1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100000189385 [0,1,0,0,1,0|0,0,0]=2 10634 B17R2.57108 Clc1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100000694040 [0,1,0,0,1,0|0,0,0]=2 10635 B17R2.57108 Clc1ccc(cc1)CNC2CCCCCC2 270004a_100000174871_100000210131 [0,1,0,0,1,0|0,0,0]=2 10636 B17R2.57108 Clc1ccc(cc1)CNC2CCCCCC2 270004a_100000210984_100000189385 [0,1,0,0,1,0|0,0,0]=2 10637 B17R2.57108 Clc1ccc(cc1)CNC2CCCCCC2 34a_100000174871_100011217769 [0,1,0,0,1,0|0,0,0]=2 10638 B17R2.57108 Clc1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100000694040 [0,1,0,0,1,0|0,0,0]=2 10639 B17R2.57108 Clc1ccc(cc1)CNC2CCCNCC2 270004a_100000174871_100015187895 [0,1,0,0,1,0|1,0,0]=3 10640 B17R2.57108 Clc1ccc(cc1)CNC2CSCCSC2 270004a_100000174871_100000068409 [0,1,0,0,1,0|2,0,0]=4 10641 B17R2.57108 Clc1ccc(cc1)COC2CCCCCC2 34a_100000210887_100000694040 [0,1,0,0,1,0|1,0,0]=3 10642 B17R2.57108 Clc1ccc(cc1)COC2CCCCCC2 34a_100000211118_100011217769 [0,1,0,0,1,0|1,0,0]=3 10643 B17R2.57108 Clc1ccc(cc1)COC2CCCCCC2 7a_100000210887_100000187161 [0,1,0,0,1,0|1,0,0]=3 10644 B17R2.57108 Clc1ccc(cc1)CSC2CCCCCC2 62a_100000187161_100011217769 [0,1,0,0,1,0|1,0,0]=3 10645 B17R2.57108 Clc1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100000187161 [0,1,0,0,1,0|1,0,0]=3 10646 B17R2.57108 Clc1ccc(cc1)NCC2CCCCCC2 2230a_100000210052_200000696569 [0,1,0,0,1,0|1,0,0]=3 10647 B17R2.57108 Clc1ccc(cc1)NCC2CCCCCC2 34a_100000210052_200000696569 [0,1,0,0,1,0|1,0,0]=3 10648 B17R2.57108 Clc1ccc(cc1)OCC2CCCCCC2 34a_100000210216_200000696569 [0,1,0,0,1,0|1,0,0]=3 10649 B17R2.57108 Clc1ccc(cc1)OCC2CCCCCC2 7a_100000210216_200000696569 [0,1,0,0,1,0|1,0,0]=3 10650 B17R2.57108 Clc1ccc(cc1)SCC2CCCCCC2 62a_100000755918_200000696569 [0,1,0,0,1,0|1,0,0]=3 10651 B17R2.57108 Clc1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000755918 [0,1,0,0,1,0|1,0,0]=3 10652 B17R2.57108 Clc1ccc(cn1)CNC2CCCCCC2 2230a_100000210984_100000735431 [0,1,0,0,1,0|1,0,0]=3 10653 B17R2.57108 Clc1ccc(cn1)CNC2CCCCCC2 270004a_100000735879_100000210131 [0,1,0,0,1,0|1,0,0]=3 10654 B17R2.57108 Clc1ccc(cn1)CNC2CCCCCC2 34a_100000210984_100000735431 [0,1,0,0,1,0|1,0,0]=3 10655 B17R2.57108 Clc1ccc(cn1)CNC2CCCCCC2 34a_100000735879_100011217769 [0,1,0,0,1,0|1,0,0]=3 10656 B17R2.57108 Clc1ccc(cn1)CNC2CCCNCC2 270004a_100000735879_100015187895 [0,1,0,0,1,0|2,0,0]=4 10657 B17R2.57108 Clc1ccc(cn1)COC2CCCCCC2 34a_100000210887_100000735431 [0,1,0,0,1,0|2,0,0]=4 10658 B17R2.57108 Clc1ccc(cn1)COC2CCCCCC2 34a_100000755211_100011217769 [0,1,0,0,1,0|2,0,0]=4 10659 B17R2.57108 Clc1ccc(cn1)COC2CCCCCC2 7a_100000210887_100000735431 [0,1,0,0,1,0|2,0,0]=4 10660 B17R2.57108 Clc1ccc(cn1)CSC2CCCCCC2 62a_100000735431_100011217769 [0,1,0,0,1,0|2,0,0]=4 10661 B17R2.57108 Clc1ccc(cn1)CSC2CCCCCC2 62a_100011217769_100000735431 [0,1,0,0,1,0|2,0,0]=4 10662 B17R2.57108 Clc1ccc(cn1)OCC2CCCCCC2 34a_100000744096_200000696569 [0,1,0,0,1,0|2,0,0]=4 10663 B17R2.57108 Clc1ccc(cn1)OCC2CCCCCC2 7a_100000744096_200000696569 [0,1,0,0,1,0|2,0,0]=4 10664 B17R2.57108 Clc1ccc(cn1)SCC2CCCCCC2 62a_100000034144_200000696569 [0,1,0,0,1,0|2,0,0]=4 10665 B17R2.57108 Clc1ccc(cn1)SCC2CCCCCC2 62a_200000696569_100000034144 [0,1,0,0,1,0|2,0,0]=4 10666 B17R2.57108 Clc1ccc(nc1)CNC2CCCCCC2 207a_100000210984_100011361569 [0,1,0,0,1,0|1,0,0]=3 10667 B17R2.57108 Clc1ccc(nc1)CNC2CCCCCC2 2230a_100000210984_100012066911 [0,1,0,0,1,0|1,0,0]=3 10668 B17R2.57108 Clc1ccc(nc1)CNC2CCCCCC2 270004a_100000210984_100011361569 [0,1,0,0,1,0|1,0,0]=3 10669 B17R2.57108 Clc1ccc(nc1)CNC2CCCCCC2 270004a_100000697193_100000210131 [0,1,0,0,1,0|1,0,0]=3 10670 B17R2.57108 Clc1ccc(nc1)CNC2CCCCCC2 34a_100000210984_100012066911 [0,1,0,0,1,0|1,0,0]=3 10671 B17R2.57108 Clc1ccc(nc1)CNC2CCCCCC2 34a_100000697193_100011217769 [0,1,0,0,1,0|1,0,0]=3 10672 B17R2.57108 Clc1ccc(nc1)CNC2CCCNCC2 270004a_100000697193_100015187895 [0,1,0,0,1,0|2,0,0]=4 10673 B17R2.57108 Clc1ccc(nc1)COC2CCCCCC2 34a_100000210887_100012066911 [0,1,0,0,1,0|2,0,0]=4 10674 B17R2.57108 Clc1ccc(nc1)COC2CCCCCC2 34a_100000703999_100011217769 [0,1,0,0,1,0|2,0,0]=4 10675 B17R2.57108 Clc1ccc(nc1)COC2CCCCCC2 7a_100000210887_100012066911 [0,1,0,0,1,0|2,0,0]=4 10676 B17R2.57108 Clc1ccc(nc1)CSC2CCCCCC2 62a_100011217769_100000697101 [0,1,0,0,1,0|2,0,0]=4 10677 B17R2.57108 Clc1ccc(nc1)CSC2CCCCCC2 62a_100012066911_100011217769 [0,1,0,0,1,0|2,0,0]=4 10678 B17R2.57108 Clc1ccc(nc1)OCC2CCCCCC2 34a_100011215309_200000696569 [0,1,0,0,1,0|2,0,0]=4 10679 B17R2.57108 Clc1ccc(nc1)SCC2CCCCCC2 62a_100011356976_200000696569 [0,1,0,0,1,0|2,0,0]=4 10680 B17R2.57108 Clc1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100011356976 [0,1,0,0,1,0|2,0,0]=4 10681 B17R2.57108 Clc1ccc(nn1)CNC2CCCCCC2 2230a_100000210984_100016992710 [0,1,0,0,1,0|2,0,0]=4 10682 B17R2.57108 Clc1ccc(nn1)CNC2CCCCCC2 270004a_100000210984_100000044651 [0,1,0,0,1,0|2,0,0]=4 10683 B17R2.57108 Clc1ccc(nn1)CNC2CCCCCC2 34a_100000210984_100016992710 [0,1,0,0,1,0|2,0,0]=4 10684 B17R2.57108 Clc1cnc(cn1)CNC2CCCCCC2 270004a_100000210984_100012001714 [0,1,0,0,1,0|2,0,0]=4 10685 B17R2.57108 Fc1ccc(cc1)CCN2CCCCCC2 2230a_100000185865_100011217392 [0,1,0,0,1,0|1,0,0]=3 10686 B17R2.57108 Fc1ccc(cc1)CCN2CCCCCC2 269982a_100000185865_100011217392 [0,1,0,0,1,0|1,0,0]=3 10687 B17R2.57108 Fc1ccc(cc1)CCN2CCCCCC2 34a_100000185865_100011217392 [0,1,0,0,1,0|1,0,0]=3 10688 B17R2.57108 Fc1ccc(cc1)CCN2CCCOCC2 2230a_100000685342_100011217392 [0,1,0,0,1,0|2,0,0]=4 10689 B17R2.57108 Fc1ccc(cc1)CCN2CCCOCC2 269982a_100000685342_100011217392 [0,1,0,0,1,0|2,0,0]=4 10690 B17R2.57108 Fc1ccc(cc1)CCN2CCCOCC2 34a_100000685342_100011217392 [0,1,0,0,1,0|2,0,0]=4 10691 B17R2.57108 Fc1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100000210084 [0,1,0,0,1,0|0,0,0]=2 10692 B17R2.57108 Fc1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100000198546 [0,1,0,0,1,0|0,0,0]=2 10693 B17R2.57108 Fc1ccc(cc1)CNC2CCCCCC2 270004a_100000174882_100000210131 [0,1,0,0,1,0|0,0,0]=2 10694 B17R2.57108 Fc1ccc(cc1)CNC2CCCCCC2 270004a_100000210984_100000210084 [0,1,0,0,1,0|0,0,0]=2 10695 B17R2.57108 Fc1ccc(cc1)CNC2CCCCCC2 34a_100000174882_100011217769 [0,1,0,0,1,0|0,0,0]=2 10696 B17R2.57108 Fc1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100000198546 [0,1,0,0,1,0|0,0,0]=2 10697 B17R2.57108 Fc1ccc(cc1)CNC2CCCNCC2 270004a_100000174882_100015187895 [0,1,0,0,1,0|1,0,0]=3 10698 B17R2.57108 Fc1ccc(cc1)CNC2CSCCSC2 270004a_100000174882_100000068409 [0,1,0,0,1,0|2,0,0]=4 10699 B17R2.57108 Fc1ccc(cc1)COC2CCCCCC2 34a_100000210887_100000198546 [0,1,0,0,1,0|1,0,0]=3 10700 B17R2.57108 Fc1ccc(cc1)COC2CCCCCC2 34a_100000210977_100011217769 [0,1,0,0,1,0|1,0,0]=3 10701 B17R2.57108 Fc1ccc(cc1)COC2CCCCCC2 7a_100000210887_100000198546 [0,1,0,0,1,0|1,0,0]=3 10702 B17R2.57108 Fc1ccc(cc1)CSC2CCCCCC2 62a_100000198546_100011217769 [0,1,0,0,1,0|1,0,0]=3 10703 B17R2.57108 Fc1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100000187164 [0,1,0,0,1,0|1,0,0]=3 10704 B17R2.57108 Fc1ccc(cc1)NCC2CCCCCC2 34a_100000185862_200000696569 [0,1,0,0,1,0|1,0,0]=3 10705 B17R2.57108 Fc1ccc(cc1)OCC2CCCCCC2 34a_100000210339_200000696569 [0,1,0,0,1,0|1,0,0]=3 10706 B17R2.57108 Fc1ccc(cc1)SCC2CCCCCC2 62a_100000211213_200000696569 [0,1,0,0,1,0|1,0,0]=3 10707 B17R2.57108 Fc1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000211213 [0,1,0,0,1,0|1,0,0]=3 10708 B17R2.57108 Fc1ccc(cn1)CNC2CCCCCC2 2230a_100000210984_100009820150 [0,1,0,0,1,0|1,0,0]=3 10709 B17R2.57108 Fc1ccc(cn1)CNC2CCCCCC2 270004a_100000101913_100000210131 [0,1,0,0,1,0|1,0,0]=3 10710 B17R2.57108 Fc1ccc(cn1)CNC2CCCCCC2 34a_100000101913_100011217769 [0,1,0,0,1,0|1,0,0]=3 10711 B17R2.57108 Fc1ccc(cn1)CNC2CCCCCC2 34a_100000210984_100000099788 [0,1,0,0,1,0|1,0,0]=3 10712 B17R2.57108 Fc1ccc(cn1)CNC2CCCNCC2 270004a_100000101913_100015187895 [0,1,0,0,1,0|2,0,0]=4 10713 B17R2.57108 Fc1ccc(cn1)COC2CCCCCC2 34a_100000079959_100011217769 [0,1,0,0,1,0|2,0,0]=4 10714 B17R2.57108 Fc1ccc(cn1)COC2CCCCCC2 34a_100000210887_100000099788 [0,1,0,0,1,0|2,0,0]=4 10715 B17R2.57108 Fc1ccc(cn1)COC2CCCCCC2 7a_100000210887_100009820150 [0,1,0,0,1,0|2,0,0]=4 10716 B17R2.57108 Fc1ccc(cn1)CSC2CCCCCC2 62a_100009820150_100011217769 [0,1,0,0,1,0|2,0,0]=4 10717 B17R2.57108 Fc1ccc(cn1)CSC2CCCCCC2 62a_100011217769_100000099788 [0,1,0,0,1,0|2,0,0]=4 10718 B17R2.57108 Fc1ccc(cn1)OCC2CCCCCC2 34a_100000688820_200000696569 [0,1,0,0,1,0|2,0,0]=4 10719 B17R2.57108 Fc1ccc(cn1)OCC2CCCCCC2 7a_100000688820_200000696569 [0,1,0,0,1,0|2,0,0]=4 10720 B17R2.57108 Fc1ccc(cn1)SCC2CCCCCC2 62a_100000042367_200000696569 [0,1,0,0,1,0|2,0,0]=4 10721 B17R2.57108 Fc1ccc(cn1)SCC2CCCCCC2 62a_200000696569_100000042367 [0,1,0,0,1,0|2,0,0]=4 10722 B17R2.57108 Fc1ccc(nc1)CNC2CCCCCC2 207a_100000210984_100011934744 [0,1,0,0,1,0|1,0,0]=3 10723 B17R2.57108 Fc1ccc(nc1)CNC2CCCCCC2 2230a_100000210984_100000703193 [0,1,0,0,1,0|1,0,0]=3 10724 B17R2.57108 Fc1ccc(nc1)CNC2CCCCCC2 270004a_100000210984_100011934744 [0,1,0,0,1,0|1,0,0]=3 10725 B17R2.57108 Fc1ccc(nc1)CNC2CCCCCC2 34a_100000210984_100000703193 [0,1,0,0,1,0|1,0,0]=3 10726 B17R2.57108 Fc1ccc(nc1)CNC2CCCCCC2 34a_100020620131_100011217769 [0,1,0,0,1,0|1,0,0]=3 10727 B17R2.57108 Fc1ccc(nc1)COC2CCCCCC2 34a_100000210887_100000703193 [0,1,0,0,1,0|2,0,0]=4 10728 B17R2.57108 Fc1ccc(nc1)COC2CCCCCC2 34a_100011999454_100011217769 [0,1,0,0,1,0|2,0,0]=4 10729 B17R2.57108 Fc1ccc(nc1)COC2CCCCCC2 7a_100000210887_100000703193 [0,1,0,0,1,0|2,0,0]=4 10730 B17R2.57108 Fc1ccc(nc1)CSC2CCCCCC2 62a_100000703193_100011217769 [0,1,0,0,1,0|2,0,0]=4 10731 B17R2.57108 Fc1ccc(nc1)CSC2CCCCCC2 62a_100011217769_100000703193 [0,1,0,0,1,0|2,0,0]=4 10732 B17R2.57108 Fc1ccc(nc1)OCC2CCCCCC2 34a_100000742473_200000696569 [0,1,0,0,1,0|2,0,0]=4 10733 B17R2.57108 Fc1ccc(nc1)SCC2CCCCCC2 62a_100000744514_200000696569 [0,1,0,0,1,0|2,0,0]=4 10734 B17R2.57108 Fc1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100000744514 [0,1,0,0,1,0|2,0,0]=4 10735 B17R2.57108 Ic1ccc(cc1)CNC2CCCCCC2 207a_100000210984_100000188517 [0,1,0,0,1,0|0,0,0]=2 10736 B17R2.57108 Ic1ccc(cc1)CNC2CCCCCC2 2230a_100000210984_100000189116 [0,1,0,0,1,0|0,0,0]=2 10737 B17R2.57108 Ic1ccc(cc1)CNC2CCCCCC2 270004a_100016989417_100000210131 [0,1,0,0,1,0|0,0,0]=2 10738 B17R2.57108 Ic1ccc(cc1)CNC2CCCCCC2 34a_100000210984_100000189116 [0,1,0,0,1,0|0,0,0]=2 10739 B17R2.57108 Ic1ccc(cc1)CNC2CCCCCC2 34a_100016989417_100011217769 [0,1,0,0,1,0|0,0,0]=2 10740 B17R2.57108 Ic1ccc(cc1)CNC2CCCNCC2 270004a_100016989417_100015187895 [0,1,0,0,1,0|1,0,0]=3 10741 B17R2.57108 Ic1ccc(cc1)CNC2CSCCSC2 270004a_100016989417_100000068409 [0,1,0,0,1,0|2,0,0]=4 10742 B17R2.57108 Ic1ccc(cc1)COC2CCCCCC2 34a_100000210887_100000189116 [0,1,0,0,1,0|1,0,0]=3 10743 B17R2.57108 Ic1ccc(cc1)COC2CCCCCC2 34a_100000690907_100011217769 [0,1,0,0,1,0|1,0,0]=3 10744 B17R2.57108 Ic1ccc(cc1)COC2CCCCCC2 7a_100000210887_100000189116 [0,1,0,0,1,0|1,0,0]=3 10745 B17R2.57108 Ic1ccc(cc1)CSC2CCCCCC2 62a_100000189116_100011217769 [0,1,0,0,1,0|1,0,0]=3 10746 B17R2.57108 Ic1ccc(cc1)CSC2CCCCCC2 62a_100011217769_100000189116 [0,1,0,0,1,0|1,0,0]=3 10747 B17R2.57108 Ic1ccc(cc1)NCC2CCCCCC2 34a_100000185761_200000696569 [0,1,0,0,1,0|1,0,0]=3 10748 B17R2.57108 Ic1ccc(cc1)OCC2CCCCCC2 34a_100000212066_200000696569 [0,1,0,0,1,0|1,0,0]=3 10749 B17R2.57108 Ic1ccc(cc1)OCC2CCCCCC2 7a_100000212066_200000696569 [0,1,0,0,1,0|1,0,0]=3 10750 B17R2.57108 Ic1ccc(cn1)OCC2CCCCCC2 34a_100000687607_200000696569 [0,1,0,0,1,0|2,0,0]=4 10751 B17R2.57108 Ic1ccc(cn1)OCC2CCCCCC2 7a_100000687607_200000696569 [0,1,0,0,1,0|2,0,0]=4 10752 B17R2.57108 Nc1ccc(cc1)COC2CCCCCC2 34a_100011215238_100011217769 [0,1,0,0,1,0|1,0,0]=3 10753 B17R2.57108 Nc1ccc(cc1)OCC2CCCCCC2 34a_100000185829_200000696569 [0,1,0,0,1,0|1,0,0]=3 10754 B17R2.57108 Nc1ccc(cc1)SCC2CCCCCC2 62a_100000185761_200000696569 [0,1,0,0,1,0|1,0,0]=3 10755 B17R2.57108 Nc1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000185761 [0,1,0,0,1,0|1,0,0]=3 10756 B17R2.57108 Nc1ccc(cn1)COC2CCCCCC2 34a_100000704267_100011217769 [0,1,0,0,1,0|2,0,0]=4 10757 B17R2.57108 Nc1ccc(cn1)OCC2CCCCCC2 34a_100015188713_200000696569 [0,1,0,0,1,0|2,0,0]=4 10758 B17R2.57108 Nc1ccc(cn1)OCC2CCCCCC2 7a_100015188713_200000696569 [0,1,0,0,1,0|2,0,0]=4 10759 B17R2.57108 Nc1ccc(cn1)SCC2CCCCCC2 62a_100000187370_200000696569 [0,1,0,0,1,0|2,0,0]=4 10760 B17R2.57108 Nc1ccc(cn1)SCC2CCCCCC2 62a_200000696569_100000187370 [0,1,0,0,1,0|2,0,0]=4 10761 B17R2.57108 Nc1ccc(nc1)COC2CCCCCC2 34a_100011998161_100011217769 [0,1,0,0,1,0|2,0,0]=4 10762 B17R2.57108 Nc1ccc(nc1)OCC2CCCCCC2 34a_100000729260_200000696569 [0,1,0,0,1,0|2,0,0]=4 10763 B17R2.57108 Nc1ccc(nc1)SCC2CCCCCC2 62a_100000737798_200000696569 [0,1,0,0,1,0|2,0,0]=4 10764 B17R2.57108 Nc1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100000737798 [0,1,0,0,1,0|2,0,0]=4 10765 B17R2.57108 O=c1ccc(c[nH]1)COC2CCCCCC2 34a_100011999846_100011217769 [0,1,0,0,1,0|2,0,0]=4 10766 B17R2.57108 O=c1ccc(c[nH]1)OCC2CCCCCC2 34a_100000075641_200000696569 [0,1,0,0,1,0|2,0,0]=4 10767 B17R2.57108 O=c1ccc(c[nH]1)SCC2CCCCCC2 62a_100000212171_200000696569 [0,1,0,0,1,0|2,0,0]=4 10768 B17R2.57108 O=c1ccc(c[nH]1)SCC2CCCCCC2 62a_200000696569_100000212171 [0,1,0,0,1,0|2,0,0]=4 10769 B17R2.57108 O=c1ccc(n[nH]1)CNC2CCCCCC2 207a_100000210984_100011361533 [0,1,0,0,1,0|2,0,0]=4 10770 B17R2.57108 O=c1ccc(n[nH]1)CNC2CCCCCC2 270004a_100000210984_100011361533 [0,1,0,0,1,0|2,0,0]=4 10771 B17R2.57108 Oc1ccc(cc1)CCN2CCCCCC2 2230a_100000185865_100009816426 [0,1,0,0,1,0|1,0,0]=3 10772 B17R2.57108 Oc1ccc(cc1)CCN2CCCCCC2 269982a_100000185865_100009816426 [0,1,0,0,1,0|1,0,0]=3 10773 B17R2.57108 Oc1ccc(cc1)CCN2CCCOCC2 2230a_100000685342_100009816426 [0,1,0,0,1,0|2,0,0]=4 10774 B17R2.57108 Oc1ccc(cc1)CCN2CCCOCC2 269982a_100000685342_100009816426 [0,1,0,0,1,0|2,0,0]=4 10775 B17R2.57108 Oc1ccc(cc1)CNC2CCCCCC2 34a_100000185549_100011217769 [0,1,0,0,1,0|0,0,0]=2 10776 B17R2.57108 Oc1ccc(cc1)NCC2CCCCCC2 34a_100000185829_200000696569 [0,1,0,0,1,0|1,0,0]=3 10777 B17R2.57108 Oc1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000185759 [0,1,0,0,1,0|1,0,0]=3 10778 B17R2.57108 Oc1ccc(cn1)CNC2CCCCCC2 207a_100000210984_100011361521 [0,1,0,0,1,0|1,0,0]=3 10779 B17R2.57108 Oc1ccc(nc1)SCC2CCCCCC2 62a_100000685995_200000696569 [0,1,0,0,1,0|2,0,0]=4 10780 B17R2.57108 Oc1ccc(nc1)SCC2CCCCCC2 62a_200000696569_100000744096 [0,1,0,0,1,0|2,0,0]=4 10781 B17R2.57108 [O-][n+]1ccc(cc1)COC2CCCCCC2 34a_100000031831_100011217769 [0,1,0,0,1,0|2,0,0]=4 10782 B17R2.57108 [O-][n+]1ccc(cc1)SCC2CCCCCC2 62a_200000696569_100000039755 [0,1,0,0,1,0|2,0,0]=4 10783 B17R2.167379 CC1(CCCCCC1)NCc2ccccc2 207a_100000704638_100015611070 [0,1,0,0,1,0|0,0,0]=2 10784 B17R2.167379 CC1(CCCCCC1)NCc2ccccc2 2230a_100000704638_100015291786 [0,1,0,0,1,0|0,0,0]=2 10785 B17R2.167379 CC1(CCCCCC1)NCc2ccccc2 270004a_100000704638_100015611070 [0,1,0,0,1,0|0,0,0]=2 10786 B17R2.167379 CC1(CCCCCC1)NCc2ccccc2 34a_100000704638_100015291786 [0,1,0,0,1,0|0,0,0]=2 10787 B17R2.167379 CC1(CCCCCC1)NCc2ccccn2 207a_100000704638_100000209966 [0,1,0,0,1,0|1,0,0]=3 10788 B17R2.167379 CC1(CCCCCC1)NCc2ccccn2 2230a_100000704638_100000721315 [0,1,0,0,1,0|1,0,0]=3 10789 B17R2.167379 CC1(CCCCCC1)NCc2ccccn2 270004a_100000704638_100000209966 [0,1,0,0,1,0|1,0,0]=3 10790 B17R2.167379 CC1(CCCCCC1)NCc2ccccn2 34a_100000704638_100000721315 [0,1,0,0,1,0|1,0,0]=3 10791 B17R2.167379 CC1(CCCCCC1)NCc2cccnc2 207a_100000704638_100000209961 [0,1,0,0,1,0|1,0,0]=3 10792 B17R2.167379 CC1(CCCCCC1)NCc2cccnc2 2230a_100000704638_100000741622 [0,1,0,0,1,0|1,0,0]=3 10793 B17R2.167379 CC1(CCCCCC1)NCc2cccnc2 270004a_100000704638_100000209961 [0,1,0,0,1,0|1,0,0]=3 10794 B17R2.167379 CC1(CCCCCC1)NCc2cccnc2 34a_100000704638_100000733263 [0,1,0,0,1,0|1,0,0]=3 10795 B17R2.167379 CC1(CCCCCC1)NCc2cccnn2 2230a_100000704638_100016990269 [0,1,0,0,1,0|2,0,0]=4 10796 B17R2.167379 CC1(CCCCCC1)NCc2cccnn2 34a_100000704638_100016990269 [0,1,0,0,1,0|2,0,0]=4 10797 B17R2.167379 CC1(CCCCCC1)NCc2ccncc2 207a_100000704638_100000186114 [0,1,0,0,1,0|1,0,0]=3 10798 B17R2.167379 CC1(CCCCCC1)NCc2ccncc2 2230a_100000704638_100015193705 [0,1,0,0,1,0|1,0,0]=3 10799 B17R2.167379 CC1(CCCCCC1)NCc2ccnnc2 270004a_100000704638_100011934578 [0,1,0,0,1,0|2,0,0]=4 10800 B17R2.167379 CC1(CCCCCC1)NCc2cnccn2 2230a_100000704638_100016995436 [0,1,0,0,1,0|2,0,0]=4 10801 B17R2.167379 CC1(CCCCCC1)NCc2cnccn2 270004a_100000704638_100000749867 [0,1,0,0,1,0|2,0,0]=4 10802 B17R2.167379 CC1(CCCCCC1)NCc2cnccn2 34a_100000704638_100016995436 [0,1,0,0,1,0|2,0,0]=4 10803 B17R2.167379 CC1(CCCCCC1)NCc2cncnc2 2230a_100000704638_100015196519 [0,1,0,0,1,0|2,0,0]=4 10804 B17R2.167379 CC1(CCCCCC1)NCc2cncnc2 270004a_100000704638_100000749868 [0,1,0,0,1,0|2,0,0]=4 10805 B17R2.167379 CC1(CCCCCC1)NCc2cncnc2 34a_100000704638_100015196519 [0,1,0,0,1,0|2,0,0]=4 10806 B17R2.167379 CC1(CCCCCC1)NCc2ncccn2 2230a_100000704638_100000703007 [0,1,0,0,1,0|2,0,0]=4 10807 B17R2.167379 CC1(CCCCCC1)NCc2ncccn2 270004a_100000704638_100011532527 [0,1,0,0,1,0|2,0,0]=4 10808 B17R2.167379 CC1(CCCCCC1)NCc2ncccn2 34a_100000704638_100000703007 [0,1,0,0,1,0|2,0,0]=4 10809 B17R2.167379 CC1(CCCCCC1)OCc2ccccc2 34a_100000708895_100015291786 [0,1,0,0,1,0|1,0,0]=3 10810 B17R2.167379 CC1(CCCCCC1)OCc2ccccc2 7a_100000708895_100000211182 [0,1,0,0,1,0|1,0,0]=3 10811 B17R2.167379 CC1(CCCCCC1)OCc2ccccn2 34a_100000708895_100000721315 [0,1,0,0,1,0|2,0,0]=4 10812 B17R2.167379 CC1(CCCCCC1)OCc2ccccn2 7a_100000708895_100000721315 [0,1,0,0,1,0|2,0,0]=4 10813 B17R2.167379 CC1(CCCCCC1)OCc2cccnc2 34a_100000708895_100000733263 [0,1,0,0,1,0|2,0,0]=4 10814 B17R2.167379 CC1(CCCCCC1)OCc2cccnc2 7a_100000708895_100000741622 [0,1,0,0,1,0|2,0,0]=4 10815 B17R2.167379 CC1(CCCCCC1)OCc2ccncc2 7a_100000708895_100015193705 [0,1,0,0,1,0|2,0,0]=4 10816 B17R2.167379 CC1(CCCNCC1)OCc2ccccc2 34a_100000723723_100015291786 [0,1,0,0,1,0|2,0,0]=4 10817 B17R2.18825 Brc1ccc(s1)CCNC2CCCCCC2 270004a_100000217605_100000210131 [0,1,0,0,1,0|1,0,0]=3 10818 B17R2.18825 Brc1ccc(s1)CCNC2CCCNCC2 270004a_100000217605_100015187895 [0,1,0,0,1,0|2,0,0]=4 10819 B17R2.18825 Brc1cnn(c1)CCNC2CCCCCC2 270004a_100000730845_100000210131 [0,1,0,0,1,0|2,0,0]=4 10820 B17R2.18825 Brc1cnn(c1)CCNC2CCCCCC2 34a_100000730845_100011217769 [0,1,0,0,1,0|2,0,0]=4 10821 B17R2.18825 Cc1ccc(o1)CCNC2CCCCCC2 270004a_100000739271_100000210131 [0,1,0,0,1,0|1,0,0]=3 10822 B17R2.18825 Cc1ccc(o1)CCNC2CCCCCC2 34a_100000739271_100011217769 [0,1,0,0,1,0|1,0,0]=3 10823 B17R2.18825 Cc1ccc(o1)CCNC2CCCNCC2 270004a_100000739271_100015187895 [0,1,0,0,1,0|2,0,0]=4 10824 B17R2.18825 Cc1ccc(o1)CCOC2CCCCCC2 34a_100012161071_100011217769 [0,1,0,0,1,0|2,0,0]=4 10825 B17R2.18825 Cc1ccn(n1)CCNC2CCCCCC2 2230a_100000210984_200011934056 [0,1,0,0,1,0|2,0,0]=4 10826 B17R2.18825 Cc1csc(n1)CCNC2CCCCCC2 270004a_100000736835_100000210131 [0,1,0,0,1,0|2,0,0]=4 10827 B17R2.18825 Cc1nc(cs1)CCNC2CCCCCC2 2230a_100000210984_100000695623 [0,1,0,0,1,0|2,0,0]=4 10828 B17R2.18825 Cc1nc(cs1)CCNC2CCCCCC2 270004a_102495365028_100000210131 [0,1,0,0,1,0|2,0,0]=4 10829 B17R2.18825 Cc1nc(cs1)CCNC2CCCCCC2 34a_100000210984_100000695623 [0,1,0,0,1,0|2,0,0]=4 10830 B17R2.18825 Cc1nc(cs1)CCNC2CCCCCC2 34a_102495365028_100011217769 [0,1,0,0,1,0|2,0,0]=4 10831 B17R2.18825 Clc1cnn(c1)CCNC2CCCCCC2 2230a_100000210984_100011353933 [0,1,0,0,1,0|2,0,0]=4 10832 B17R2.18825 Clc1cnn(c1)CCNC2CCCCCC2 270004a_200000238484_100000210131 [0,1,0,0,1,0|2,0,0]=4 10833 B17R2.18825 Clc1cnn(c1)CCNC2CCCCCC2 34a_200000238484_100011217769 [0,1,0,0,1,0|2,0,0]=4 10834 B17R2.18825 Cn1cnc(c1)CCNC2CCCCCC2 270004a_106430523030_100000210131 [0,1,0,0,1,0|2,0,0]=4 10835 B17R2.18825 Ic1cnn(c1)CCNC2CCCCCC2 270004a_100000721286_100000210131 [0,1,0,0,1,0|2,0,0]=4 10836 B17R2.23545 Cc1ccnn1CCNC2CCCCCC2 2230a_100000210984_100011934269 [0,1,0,0,1,0|2,0,0]=4 10837 B17R2.23545 Cc1nccn1CCNC2CCCCCC2 2230a_100000210984_100000742477 [0,1,0,0,1,0|2,0,0]=4 10838 B17R2.23545 Cc1nccn1CCNC2CCCCCC2 270004a_100015184736_100000210131 [0,1,0,0,1,0|2,0,0]=4 10839 B17R2.23545 Cc1nccn1CCNC2CCCCCC2 34a_100015184736_100011217769 [0,1,0,0,1,0|2,0,0]=4 10840 B17R2.23545 Cc1ncsc1CCNC2CCCCCC2 2230a_100000210984_100000057103 [0,1,0,0,1,0|2,0,0]=4 10841 B17R2.23545 Cc1ncsc1CCNC2CCCCCC2 270004a_100000238517_100000210131 [0,1,0,0,1,0|2,0,0]=4 10842 B17R2.23545 Cc1ncsc1CCNC2CCCCCC2 34a_100000210984_100000057103 [0,1,0,0,1,0|2,0,0]=4 10843 B17R2.23545 Cc1ncsc1CCNC2CCCCCC2 34a_100000238517_100011217769 [0,1,0,0,1,0|2,0,0]=4 10844 B17R2.23545 Cn1cccc1CCNC2CCCCCC2 34a_100011251756_100011217769 [0,1,0,0,1,0|1,0,0]=3 10845 B17R2.23545 Cn1ccnc1CCNC2CCCCCC2 270004a_100015187083_100000210131 [0,1,0,0,1,0|2,0,0]=4 10846 B17R2.45682 NC(COC1CCCCCC1)c2cccs2 34a_100102422791_100011217769 [0,1,0,0,1,0|2,0,0]=4 10847 B17R2.45682 O=C(CNC1CCCCCC1)c2cccs2 2230a_100000210984_100000211436 [0,1,0,0,1,0|1,0,1]=4 10848 B17R2.45682 O=C(CNC1CCCCCC1)c2ccsc2 2230a_100000210984_100011219462 [0,1,0,0,1,0|1,0,1]=4 10849 B17R2.45682 O=C(CNC1CCCCCC1)c2ccsc2 34a_100000210984_100011219462 [0,1,0,0,1,0|1,0,1]=4 10850 B17R2.45682 OC(CNC1CCCCCC1)c2ccco2 270004a_100000738650_100000210131 [0,1,0,0,1,0|1,0,0]=3 10851 B17R2.45682 OC(CNC1CCCCCC1)c2ccsc2 270004a_100000758718_100000210131 [0,1,0,0,1,0|1,0,0]=3 10852 B17R2.45682 OC(CNC1CCCCCC1)c2ccsc2 34a_100000758718_100011217769 [0,1,0,0,1,0|1,0,0]=3 10853 B17R2.45682 OC(CNC1CCCNCC1)c2ccco2 270004a_100000738650_100015187895 [0,1,0,0,1,0|2,0,0]=4 10854 B17R2.45682 OC(CNC1CCCNCC1)c2ccsc2 270004a_100000758718_100015187895 [0,1,0,0,1,0|2,0,0]=4 10855 B17R2.167381 CC1(CCCCCC1)NCCc2c[nH]cn2 2230a_100000704638_100020628418 [0,1,0,0,1,0|2,0,0]=4 10856 B17R2.167381 CC1(CCCCCC1)NCCc2cccs2 2230a_100000704638_100000748579 [0,1,0,0,1,0|1,0,0]=3 10857 B17R2.167381 CC1(CCCCCC1)NCCc2cccs2 34a_100000704638_100000748579 [0,1,0,0,1,0|1,0,0]=3 10858 B17R2.167381 CC1(CCCCCC1)NCCc2cn[nH]c2 2230a_100000704638_100000743252 [0,1,0,0,1,0|2,0,0]=4 10859 B17R2.167381 CC1(CCCCCC1)NCCn2cccc2 2230a_100000704638_200009811947 [0,1,0,0,1,0|1,0,0]=3 10860 B17R2.167381 CC1(CCCCCC1)NCCn2cccn2 2230a_100000704638_100000685285 [0,1,0,0,1,0|2,0,0]=4 10861 B17R2.167381 CC1(CCCCCC1)NCCn2cccn2 34a_100000704638_100015204718 [0,1,0,0,1,0|2,0,0]=4 10862 B17R2.167381 CC1(CCCCCC1)OCCc2cccs2 34a_100000708895_100000748579 [0,1,0,0,1,0|2,0,0]=4 10863 B17R2.167381 CC1(CCCCCC1)OCCc2cccs2 7a_100000708895_100000748579 [0,1,0,0,1,0|2,0,0]=4 10864 B17R2.167381 CC1(CCCCCC1)OCCn2cccc2 7a_100000708895_200000035178 [0,1,0,0,1,0|2,0,0]=4 10865 B17R2.294906 CC(Cc1ccco1)NC2CCCCCC2 270004a_100000210984_100011216958 [0,1,0,0,1,0|1,0,0]=3 10866 B17R2.294906 CC(Cc1ccco1)OC2CCCCCC2 34a_100011803939_100011217769 [0,1,0,0,1,0|2,0,0]=4 10867 B17R2.294906 CC(Cc1cccs1)NC2CCCCCC2 270004a_100000751415_100000210131 [0,1,0,0,1,0|1,0,0]=3 10868 B17R2.294906 CC(Cc1cccs1)NC2CCCNCC2 270004a_100000751415_100015187895 [0,1,0,0,1,0|2,0,0]=4 10869 B17R2.294906 CC(Cc1ccsc1)NC2CCCCCC2 270004a_100000743546_100000210131 [0,1,0,0,1,0|1,0,0]=3 10870 B17R2.294906 CC(Cc1ccsc1)NC2CCCCCC2 34a_100000743546_100011217769 [0,1,0,0,1,0|1,0,0]=3 10871 B17R2.294906 CC(Cc1ccsc1)NC2CCCNCC2 270004a_100000743546_100015187895 [0,1,0,0,1,0|2,0,0]=4 10872 B17R2.294906 CC(Cn1cccn1)NC2CCCCCC2 270004a_100000738251_100000210131 [0,1,0,0,1,0|2,0,0]=4 10873 B17R2.294906 O=C(Cc1ccc[nH]1)NC2CCCCCC2 11a_100000210984_100000238377 [0,1,0,0,1,0|1,0,1]=4 10874 B17R2.294906 O=C(Cc1ccc[nH]1)NC2CCCCCC2 240690a_100000210984_100000238377 [0,1,0,0,1,0|1,0,1]=4 10875 B17R2.294906 O=C(Cc1ccc[nH]1)NC2CCCCCC2 527a_100000210984_100000238377 [0,1,0,0,1,0|1,0,1]=4 10876 B17R2.294906 O=C(Cc1ccco1)NC2CCCCCC2 11a_100000210984_100011217309 [0,1,0,0,1,0|1,0,1]=4 10877 B17R2.294906 O=C(Cc1ccco1)NC2CCCCCC2 527a_100000210984_100011217309 [0,1,0,0,1,0|1,0,1]=4 10878 B17R2.294906 O=C(Cc1cccs1)NC2CCCCCC2 11a_100000210984_100000210189 [0,1,0,0,1,0|1,0,1]=4 10879 B17R2.294906 O=C(Cc1cccs1)NC2CCCCCC2 1626a_100000210984_100000210189 [0,1,0,0,1,0|1,0,1]=4 10880 B17R2.294906 O=C(Cc1cccs1)NC2CCCCCC2 240690a_100000210984_100000210189 [0,1,0,0,1,0|1,0,1]=4 10881 B17R2.294906 O=C(Cc1ccoc1)NC2CCCCCC2 11a_100000210984_100000684892 [0,1,0,0,1,0|1,0,1]=4 10882 B17R2.294906 O=C(Cc1ccoc1)NC2CCCCCC2 1626a_100000210984_100000684892 [0,1,0,0,1,0|1,0,1]=4 10883 B17R2.294906 O=C(Cc1ccoc1)NC2CCCCCC2 240690a_100000210984_100000684892 [0,1,0,0,1,0|1,0,1]=4 10884 B17R2.294906 O=C(Cc1ccoc1)NC2CCCCCC2 527a_100000210984_100000684892 [0,1,0,0,1,0|1,0,1]=4 10885 B17R2.294906 O=C(Cc1ccsc1)NC2CCCCCC2 11a_100000210984_100000184062 [0,1,0,0,1,0|1,0,1]=4 10886 B17R2.294906 O=C(Cc1ccsc1)NC2CCCCCC2 1626a_100000210984_100000184062 [0,1,0,0,1,0|1,0,1]=4 10887 B17R2.294906 O=C(Cc1ccsc1)NC2CCCCCC2 240690a_100000210984_100000184062 [0,1,0,0,1,0|1,0,1]=4 10888 B17R2.294906 O=C(Cc1ccsc1)NC2CCCCCC2 527a_100000210984_100000184062 [0,1,0,0,1,0|1,0,1]=4 10889 B17R2.294906 O=C(Cn1cccc1)NC2CCCCCC2 11a_100000210984_100011196272 [0,1,0,0,1,0|1,0,1]=4 10890 B17R2.294906 O=C(Cn1cccc1)NC2CCCCCC2 1626a_100000210984_100011196272 [0,1,0,0,1,0|1,0,1]=4 10891 B17R2.294906 O=C(Cn1cccc1)NC2CCCCCC2 527a_100000210984_100011196272 [0,1,0,0,1,0|1,0,1]=4 10892 B17R2.458927 CN(CCc1c[nH]cn1)C2CCCCCC2 2230a_100015185097_100020628418 [0,1,0,0,1,0|2,0,0]=4 10893 B17R2.458927 CN(CCc1c[nH]cn1)C2CCCCCC2 269982a_100015185097_100020628418 [0,1,0,0,1,0|2,0,0]=4 10894 B17R2.458927 CN(CCc1cccs1)C2CCCCCC2 2230a_100015185097_100000748579 [0,1,0,0,1,0|1,0,0]=3 10895 B17R2.458927 CN(CCc1cccs1)C2CCCCCC2 269982a_100015185097_100000748579 [0,1,0,0,1,0|1,0,0]=3 10896 B17R2.458927 CN(CCc1cccs1)C2CCCCCC2 34a_100015185097_100000748579 [0,1,0,0,1,0|1,0,0]=3 10897 B17R2.458927 CN(CCc1cn[nH]c1)C2CCCCCC2 2230a_100015185097_100000743252 [0,1,0,0,1,0|2,0,0]=4 10898 B17R2.458927 CN(CCc1cn[nH]c1)C2CCCCCC2 269982a_100015185097_100000743252 [0,1,0,0,1,0|2,0,0]=4 10899 B17R2.458927 CN(CCn1cccc1)C2CCCCCC2 2230a_100015185097_200009811947 [0,1,0,0,1,0|1,0,0]=3 10900 B17R2.458927 CN(CCn1cccc1)C2CCCCCC2 269982a_100015185097_200000035178 [0,1,0,0,1,0|1,0,0]=3 10901 B17R2.458927 CN(CCn1cccn1)C2CCCCCC2 2230a_100015185097_100000685285 [0,1,0,0,1,0|2,0,0]=4 10902 B17R2.458927 CN(CCn1cccn1)C2CCCCCC2 269982a_100015185097_100000685285 [0,1,0,0,1,0|2,0,0]=4 10903 B17R2.458927 CN(CCn1cccn1)C2CCCCCC2 34a_100015185097_100015204718 [0,1,0,0,1,0|2,0,0]=4 10904 B17R2.458927 CN(CCn1ccnc1)C2CCCCCC2 269982a_100015185097_100000702546 [0,1,0,0,1,0|2,0,0]=4 10905 B17R2.458927 O=C(CCc1cc[nH]c1)C2CCCCCC2 1458a_200000093579_100011217769 [0,1,0,0,1,0|2,0,0]=4 10906 B17R2.458927 O=C(CCc1ccc[nH]1)C2CCCCCC2 1458a_200011998680_100011217769 [0,1,0,0,1,0|2,0,0]=4 10907 B17R2.458927 O=C(CCc1ccco1)C2CCCCCC2 1458a_100000185103_100011217769 [0,1,0,0,1,0|2,0,0]=4 10908 B17R2.458927 O=C(CCc1cccs1)C2CCCCCC2 1458a_100000185280_100011217769 [0,1,0,0,1,0|2,0,0]=4 10909 B17R2.458927 O=C(CCc1cccs1)C2CCCCCC2 1458a_100000749507_100000748579 [0,1,0,0,1,0|2,0,0]=4 10910 B17R2.458927 O=C(CCc1ccsc1)C2CCCCCC2 1458a_100000195497_100011217769 [0,1,0,0,1,0|2,0,0]=4 10911 B17R2.458927 O=C(CCn1cccc1)C2CCCCCC2 1458a_100000749507_200000035178 [0,1,0,0,1,0|2,0,0]=4 10912 B17R2.458927 O=C(CCn1cccc1)C2CCCCCC2 1458a_100011196273_100011217769 [0,1,0,0,1,0|2,0,0]=4 10913 B19R2.48105 Brc1cccc(c1)CCCN2CCCCCCC2 2230a_100000211400_100011713683 [0,1,0,0,0,1|2,0,0]=4 10914 B19R2.48105 Brc1cccc(c1)CCCN2CCCCCCC2 269982a_100000211400_100011713683 [0,1,0,0,0,1|2,0,0]=4 10915 B19R2.48105 Brc1cccc(c1)CCCN2CCCCCCC2 34a_100000211400_100011713683 [0,1,0,0,0,1|2,0,0]=4 10916 B19R2.48105 Brc1cccc(c1)CCNC2CC/C=C\CCC2 34a_100011207229_100021000466 [0,1,0,0,0,1|0,0,1]=3 10917 B19R2.48105 Brc1cccc(c1)CCNC2CCCCCCC2 2230a_100000211152_100011740638 [0,1,0,0,0,1|0,0,0]=2 10918 B19R2.48105 Brc1cccc(c1)CCNC2CCCCCCC2 270004a_100011207229_100000210524 [0,1,0,0,0,1|0,0,0]=2 10919 B19R2.48105 Brc1cccc(c1)CCNC2CCCCCCC2 34a_100000211152_100011740638 [0,1,0,0,0,1|0,0,0]=2 10920 B19R2.48105 Brc1cccc(c1)CCOC2C=CCCCCC2 34a_100000688657_100011740638 [0,1,0,0,0,1|1,0,1]=4 10921 B19R2.48105 Brc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100011217444_100021000466 [0,1,0,0,0,1|1,0,1]=4 10922 B19R2.48105 Brc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100016989180_100011740638 [0,1,0,0,0,1|1,0,1]=4 10923 B19R2.48105 Brc1cccc(c1)CCOC2CC/C=C\CCC2 7a_100011217444_100021000466 [0,1,0,0,0,1|1,0,1]=4 10924 B19R2.48105 Brc1cccc(c1)CCOC2CCCCCCC2 34a_100000210054_100011740638 [0,1,0,0,0,1|1,0,0]=3 10925 B19R2.48105 Brc1cccc(c1)CCOC2CCCCCCC2 7a_100000210054_100011740638 [0,1,0,0,0,1|1,0,0]=3 10926 B19R2.48105 Brc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100011740638_100021000466 [0,1,0,0,0,1|1,0,1]=4 10927 B19R2.48105 Brc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100021000466_100011740638 [0,1,0,0,0,1|1,0,1]=4 10928 B19R2.48105 Brc1cccc(c1)COCC2CCCCCCC2 34a_100011216312_100000698116 [0,1,0,0,0,1|2,0,0]=4 10929 B19R2.48105 Brc1cccc(c1)COCC2CCCCCCC2 7a_100011216312_100000211773 [0,1,0,0,0,1|2,0,0]=4 10930 B19R2.48105 Cc1cccc(c1)CCNC2CC/C=C\CCC2 34a_100000749837_100021000466 [0,1,0,0,0,1|0,0,1]=3 10931 B19R2.48105 Cc1cccc(c1)CCNC2CCCCCCC2 2230a_100000211152_100011713685 [0,1,0,0,0,1|0,0,0]=2 10932 B19R2.48105 Cc1cccc(c1)CCNC2CCCCCCC2 270004a_100000749837_100000210524 [0,1,0,0,0,1|0,0,0]=2 10933 B19R2.48105 Cc1cccc(c1)CCNC2CCCCCCC2 34a_100000211152_100011713685 [0,1,0,0,0,1|0,0,0]=2 10934 B19R2.48105 Cc1cccc(c1)CCOC2C=CCCCCC2 34a_100000688657_100011713685 [0,1,0,0,0,1|1,0,1]=4 10935 B19R2.48105 Cc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100011217157_100021000466 [0,1,0,0,0,1|1,0,1]=4 10936 B19R2.48105 Cc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100016989180_100011713685 [0,1,0,0,0,1|1,0,1]=4 10937 B19R2.48105 Cc1cccc(c1)CCOC2CC/C=C\CCC2 7a_100011217157_100021000466 [0,1,0,0,0,1|1,0,1]=4 10938 B19R2.48105 Cc1cccc(c1)CCOC2CCCCCCC2 34a_100000210054_100011713685 [0,1,0,0,0,1|1,0,0]=3 10939 B19R2.48105 Cc1cccc(c1)CCOC2CCCCCCC2 7a_100000210054_100011713685 [0,1,0,0,0,1|1,0,0]=3 10940 B19R2.48105 Cc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100011713685_100021000466 [0,1,0,0,0,1|1,0,1]=4 10941 B19R2.48105 Cc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100021000466_100011713685 [0,1,0,0,0,1|1,0,1]=4 10942 B19R2.48105 Cc1cccc(c1)COCC2CCCCCCC2 34a_100011216312_100000211840 [0,1,0,0,0,1|2,0,0]=4 10943 B19R2.48105 Cc1cccc(c1)COCC2CCCCCCC2 7a_100011216312_100000211840 [0,1,0,0,0,1|2,0,0]=4 10944 B19R2.48105 Cc1cccc(n1)CCNC2CC/C=C\CCC2 34a_100011824523_100021000466 [0,1,0,0,0,1|1,0,1]=4 10945 B19R2.48105 Cc1cccc(n1)CCNC2CCCCCCC2 270004a_100011824523_100000210524 [0,1,0,0,0,1|1,0,0]=3 10946 B19R2.48105 Clc1cccc(c1)CCNC2CC/C=C\CCC2 34a_100000185263_100021000466 [0,1,0,0,0,1|0,0,1]=3 10947 B19R2.48105 Clc1cccc(c1)CCNC2CCCCCCC2 2230a_100000211152_100011713710 [0,1,0,0,0,1|0,0,0]=2 10948 B19R2.48105 Clc1cccc(c1)CCNC2CCCCCCC2 270004a_100000185263_100000210524 [0,1,0,0,0,1|0,0,0]=2 10949 B19R2.48105 Clc1cccc(c1)CCNC2CCCCCCC2 34a_100000211152_100011713710 [0,1,0,0,0,1|0,0,0]=2 10950 B19R2.48105 Clc1cccc(c1)CCOC2C=CCCCCC2 34a_100000688657_100011713710 [0,1,0,0,0,1|1,0,1]=4 10951 B19R2.48105 Clc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100000754733_100021000466 [0,1,0,0,0,1|1,0,1]=4 10952 B19R2.48105 Clc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100016989180_100011713710 [0,1,0,0,0,1|1,0,1]=4 10953 B19R2.48105 Clc1cccc(c1)CCOC2CC/C=C\CCC2 7a_100000754733_100021000466 [0,1,0,0,0,1|1,0,1]=4 10954 B19R2.48105 Clc1cccc(c1)CCOC2CCCCCCC2 34a_100000210054_100011713710 [0,1,0,0,0,1|1,0,0]=3 10955 B19R2.48105 Clc1cccc(c1)CCOC2CCCCCCC2 7a_100000210054_100011713710 [0,1,0,0,0,1|1,0,0]=3 10956 B19R2.48105 Clc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100011713710_100021000466 [0,1,0,0,0,1|1,0,1]=4 10957 B19R2.48105 Clc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100021000466_100011713710 [0,1,0,0,0,1|1,0,1]=4 10958 B19R2.48105 Clc1cccc(c1)COCC2CCCCCCC2 34a_100011216312_100000187163 [0,1,0,0,0,1|2,0,0]=4 10959 B19R2.48105 Clc1cccc(c1)COCC2CCCCCCC2 7a_100011216312_100000187163 [0,1,0,0,0,1|2,0,0]=4 10960 B19R2.48105 Fc1cccc(c1)CCCN2CCCCCCC2 2230a_100000211400_200000698031 [0,1,0,0,0,1|2,0,0]=4 10961 B19R2.48105 Fc1cccc(c1)CCCN2CCCCCCC2 269982a_100000211400_200000698031 [0,1,0,0,0,1|2,0,0]=4 10962 B19R2.48105 Fc1cccc(c1)CCCN2CCCCCCC2 34a_100000211400_200000698031 [0,1,0,0,0,1|2,0,0]=4 10963 B19R2.48105 Fc1cccc(c1)CCNC2CC/C=C\CCC2 34a_100000205154_100021000466 [0,1,0,0,0,1|0,0,1]=3 10964 B19R2.48105 Fc1cccc(c1)CCNC2CCCCCCC2 2230a_100000211152_100011217235 [0,1,0,0,0,1|0,0,0]=2 10965 B19R2.48105 Fc1cccc(c1)CCNC2CCCCCCC2 270004a_100000205154_100000210524 [0,1,0,0,0,1|0,0,0]=2 10966 B19R2.48105 Fc1cccc(c1)CCNC2CCCCCCC2 34a_100000211152_100011217235 [0,1,0,0,0,1|0,0,0]=2 10967 B19R2.48105 Fc1cccc(c1)CCOC2C=CCCCCC2 34a_100000688657_100011217235 [0,1,0,0,0,1|1,0,1]=4 10968 B19R2.48105 Fc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100000763591_100021000466 [0,1,0,0,0,1|1,0,1]=4 10969 B19R2.48105 Fc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100016989180_100011217235 [0,1,0,0,0,1|1,0,1]=4 10970 B19R2.48105 Fc1cccc(c1)CCOC2CC/C=C\CCC2 7a_100000763591_100021000466 [0,1,0,0,0,1|1,0,1]=4 10971 B19R2.48105 Fc1cccc(c1)CCOC2CCCCCCC2 34a_100000210054_100011217235 [0,1,0,0,0,1|1,0,0]=3 10972 B19R2.48105 Fc1cccc(c1)CCOC2CCCCCCC2 7a_100000210054_100011217235 [0,1,0,0,0,1|1,0,0]=3 10973 B19R2.48105 Fc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100011217235_100021000466 [0,1,0,0,0,1|1,0,1]=4 10974 B19R2.48105 Fc1cccc(c1)CCSC2CC/C=C\CCC2 62a_100021000466_100011217235 [0,1,0,0,0,1|1,0,1]=4 10975 B19R2.48105 Fc1cccc(c1)COCC2CCCCCCC2 34a_100011216312_100000187166 [0,1,0,0,0,1|2,0,0]=4 10976 B19R2.48105 Fc1cccc(c1)COCC2CCCCCCC2 7a_100011216312_100000230114 [0,1,0,0,0,1|2,0,0]=4 10977 B19R2.48105 Ic1cccc(c1)COCC2CCCCCCC2 34a_100011216312_100011218688 [0,1,0,0,0,1|2,0,0]=4 10978 B19R2.48105 Ic1cccc(c1)COCC2CCCCCCC2 7a_100011216312_100011218688 [0,1,0,0,0,1|2,0,0]=4 10979 B19R2.48105 Nc1cccc(c1)CCOC2CC/C=C\CCC2 34a_100011996697_100021000466 [0,1,0,0,0,1|1,0,1]=4 10980 B19R2.48105 Oc1cccc(c1)CCNC2CC/C=C\CCC2 34a_100000747277_100021000466 [0,1,0,0,0,1|0,0,1]=3 10981 B19R2.48105 Oc1cccc(c1)COCC2CCCCCCC2 34a_100011216312_100011660834 [0,1,0,0,0,1|2,0,0]=4 10982 B19R2.48105 Oc1cccc(c1)COCC2CCCCCCC2 7a_100011216312_100000084143 [0,1,0,0,0,1|2,0,0]=4 10983 B19R2.62558 Brc1ccccc1CCCN2CCCCCCC2 2230a_100000211400_200011713681 [0,1,0,0,0,1|2,0,0]=4 10984 B19R2.62558 Brc1ccccc1CCCN2CCCCCCC2 269982a_100000211400_200011713681 [0,1,0,0,0,1|2,0,0]=4 10985 B19R2.62558 Brc1ccccc1CCCN2CCCCCCC2 34a_100000211400_200011713681 [0,1,0,0,0,1|2,0,0]=4 10986 B19R2.62558 Brc1ccccc1CCNC2CC/C=C\CCC2 34a_100000747383_100021000466 [0,1,0,0,0,1|0,0,1]=3 10987 B19R2.62558 Brc1ccccc1CCNC2CCCCCCC2 2230a_100000211152_100012161201 [0,1,0,0,0,1|0,0,0]=2 10988 B19R2.62558 Brc1ccccc1CCNC2CCCCCCC2 270004a_100000747383_100000210524 [0,1,0,0,0,1|0,0,0]=2 10989 B19R2.62558 Brc1ccccc1CCNC2CCCCCCC2 34a_100000211152_100012161201 [0,1,0,0,0,1|0,0,0]=2 10990 B19R2.62558 Brc1ccccc1CCOC2C=CCCCCC2 34a_100000688657_100012161201 [0,1,0,0,0,1|1,0,1]=4 10991 B19R2.62558 Brc1ccccc1CCOC2CC/C=C\CCC2 34a_100000731337_100021000466 [0,1,0,0,0,1|1,0,1]=4 10992 B19R2.62558 Brc1ccccc1CCOC2CC/C=C\CCC2 34a_100016989180_100012161201 [0,1,0,0,0,1|1,0,1]=4 10993 B19R2.62558 Brc1ccccc1CCOC2CC/C=C\CCC2 7a_100000731337_100021000466 [0,1,0,0,0,1|1,0,1]=4 10994 B19R2.62558 Brc1ccccc1CCOC2CCCCCCC2 34a_100000210054_100012161201 [0,1,0,0,0,1|1,0,0]=3 10995 B19R2.62558 Brc1ccccc1CCOC2CCCCCCC2 7a_100000210054_100012161201 [0,1,0,0,0,1|1,0,0]=3 10996 B19R2.62558 Brc1ccccc1CCSC2CC/C=C\CCC2 62a_100012161201_100021000466 [0,1,0,0,0,1|1,0,1]=4 10997 B19R2.62558 Brc1ccccc1CCSC2CC/C=C\CCC2 62a_100021000466_100012161201 [0,1,0,0,0,1|1,0,1]=4 10998 B19R2.62558 Brc1ccccc1COCC2CCCCCCC2 34a_100011216312_100000184730 [0,1,0,0,0,1|2,0,0]=4 10999 B19R2.62558 Brc1ccccc1COCC2CCCCCCC2 7a_100011216312_100000184730 [0,1,0,0,0,1|2,0,0]=4 11000 B19R2.62558 Cc1ccccc1CCNC2CC/C=C\CCC2 34a_100000685071_100021000466 [0,1,0,0,0,1|0,0,1]=3 11001 B19R2.62558 Cc1ccccc1CCNC2CCCCCCC2 2230a_100000211152_100011713688 [0,1,0,0,0,1|0,0,0]=2 11002 B19R2.62558 Cc1ccccc1CCNC2CCCCCCC2 270004a_100000685071_100000210524 [0,1,0,0,0,1|0,0,0]=2 11003 B19R2.62558 Cc1ccccc1CCNC2CCCCCCC2 34a_100000211152_100011713688 [0,1,0,0,0,1|0,0,0]=2 11004 B19R2.62558 Cc1ccccc1CCOC2C=CCCCCC2 34a_100000688657_100011713688 [0,1,0,0,0,1|1,0,1]=4 11005 B19R2.62558 Cc1ccccc1CCOC2CC/C=C\CCC2 34a_100011220023_100021000466 [0,1,0,0,0,1|1,0,1]=4 11006 B19R2.62558 Cc1ccccc1CCOC2CC/C=C\CCC2 34a_100016989180_100011713688 [0,1,0,0,0,1|1,0,1]=4 11007 B19R2.62558 Cc1ccccc1CCOC2CC/C=C\CCC2 7a_100011220023_100021000466 [0,1,0,0,0,1|1,0,1]=4 11008 B19R2.62558 Cc1ccccc1CCOC2CCCCCCC2 34a_100000210054_100011713688 [0,1,0,0,0,1|1,0,0]=3 11009 B19R2.62558 Cc1ccccc1CCOC2CCCCCCC2 7a_100000210054_100011713688 [0,1,0,0,0,1|1,0,0]=3 11010 B19R2.62558 Cc1ccccc1CCSC2CC/C=C\CCC2 62a_100011713688_100021000466 [0,1,0,0,0,1|1,0,1]=4 11011 B19R2.62558 Cc1ccccc1CCSC2CC/C=C\CCC2 62a_100021000466_100011713688 [0,1,0,0,0,1|1,0,1]=4 11012 B19R2.62558 Cc1ccccc1COCC2CCCCCCC2 34a_100011216312_100000211839 [0,1,0,0,0,1|2,0,0]=4 11013 B19R2.62558 Cc1ccccc1COCC2CCCCCCC2 7a_100011216312_100000211839 [0,1,0,0,0,1|2,0,0]=4 11014 B19R2.62558 Clc1ccccc1CCNC2CC/C=C\CCC2 34a_100011207228_100021000466 [0,1,0,0,0,1|0,0,1]=3 11015 B19R2.62558 Clc1ccccc1CCNC2CCCCCCC2 2230a_100000211152_100011713703 [0,1,0,0,0,1|0,0,0]=2 11016 B19R2.62558 Clc1ccccc1CCNC2CCCCCCC2 270004a_100000211152_200011713468 [0,1,0,0,0,1|0,0,0]=2 11017 B19R2.62558 Clc1ccccc1CCNC2CCCCCCC2 270004a_100011207228_100000210524 [0,1,0,0,0,1|0,0,0]=2 11018 B19R2.62558 Clc1ccccc1CCNC2CCCCCCC2 34a_100000211152_100011713703 [0,1,0,0,0,1|0,0,0]=2 11019 B19R2.62558 Clc1ccccc1CCOC2C=CCCCCC2 34a_100000688657_100011713703 [0,1,0,0,0,1|1,0,1]=4 11020 B19R2.62558 Clc1ccccc1CCOC2CC/C=C\CCC2 34a_100011215284_100021000466 [0,1,0,0,0,1|1,0,1]=4 11021 B19R2.62558 Clc1ccccc1CCOC2CC/C=C\CCC2 34a_100016989180_100011713703 [0,1,0,0,0,1|1,0,1]=4 11022 B19R2.62558 Clc1ccccc1CCOC2CC/C=C\CCC2 7a_100011215284_100021000466 [0,1,0,0,0,1|1,0,1]=4 11023 B19R2.62558 Clc1ccccc1CCOC2CCCCCCC2 34a_100000210054_100011713703 [0,1,0,0,0,1|1,0,0]=3 11024 B19R2.62558 Clc1ccccc1CCOC2CCCCCCC2 7a_100000210054_100011713703 [0,1,0,0,0,1|1,0,0]=3 11025 B19R2.62558 Clc1ccccc1CCSC2CC/C=C\CCC2 62a_100011713703_100021000466 [0,1,0,0,0,1|1,0,1]=4 11026 B19R2.62558 Clc1ccccc1CCSC2CC/C=C\CCC2 62a_100021000466_100011713703 [0,1,0,0,0,1|1,0,1]=4 11027 B19R2.62558 Clc1ccccc1COCC2CCCCCCC2 34a_100011216312_100000187162 [0,1,0,0,0,1|2,0,0]=4 11028 B19R2.62558 Clc1ccccc1COCC2CCCCCCC2 7a_100011216312_100000187162 [0,1,0,0,0,1|2,0,0]=4 11029 B19R2.62558 Fc1ccccc1CCNC2CC/C=C\CCC2 34a_100000185272_100021000466 [0,1,0,0,0,1|0,0,1]=3 11030 B19R2.62558 Fc1ccccc1CCNC2CCCCCCC2 2230a_100000211152_100011713696 [0,1,0,0,0,1|0,0,0]=2 11031 B19R2.62558 Fc1ccccc1CCNC2CCCCCCC2 270004a_100000185272_100000210524 [0,1,0,0,0,1|0,0,0]=2 11032 B19R2.62558 Fc1ccccc1CCNC2CCCCCCC2 34a_100000211152_100000720011 [0,1,0,0,0,1|0,0,0]=2 11033 B19R2.62558 Fc1ccccc1CCOC2C=CCCCCC2 34a_100000688657_100000720011 [0,1,0,0,0,1|1,0,1]=4 11034 B19R2.62558 Fc1ccccc1CCOC2CC/C=C\CCC2 34a_100000753711_100021000466 [0,1,0,0,0,1|1,0,1]=4 11035 B19R2.62558 Fc1ccccc1CCOC2CC/C=C\CCC2 34a_100016989180_100000720011 [0,1,0,0,0,1|1,0,1]=4 11036 B19R2.62558 Fc1ccccc1CCOC2CC/C=C\CCC2 7a_100000753711_100021000466 [0,1,0,0,0,1|1,0,1]=4 11037 B19R2.62558 Fc1ccccc1CCOC2CCCCCCC2 34a_100000210054_100000720011 [0,1,0,0,0,1|1,0,0]=3 11038 B19R2.62558 Fc1ccccc1CCOC2CCCCCCC2 7a_100000210054_100000720011 [0,1,0,0,0,1|1,0,0]=3 11039 B19R2.62558 Fc1ccccc1CCSC2CC/C=C\CCC2 62a_100011713696_100021000466 [0,1,0,0,0,1|1,0,1]=4 11040 B19R2.62558 Fc1ccccc1CCSC2CC/C=C\CCC2 62a_100021000466_100011713696 [0,1,0,0,0,1|1,0,1]=4 11041 B19R2.62558 Fc1ccccc1COCC2CCCCCCC2 34a_100011216312_100000211605 [0,1,0,0,0,1|2,0,0]=4 11042 B19R2.62558 Fc1ccccc1COCC2CCCCCCC2 7a_100011216312_100000211605 [0,1,0,0,0,1|2,0,0]=4 11043 B19R2.62558 Ic1ccccc1CCOC2CC/C=C\CCC2 34a_100010255290_100021000466 [0,1,0,0,0,1|1,0,1]=4 11044 B19R2.62558 Ic1ccccc1CCOC2CC/C=C\CCC2 7a_100010255290_100021000466 [0,1,0,0,0,1|1,0,1]=4 11045 B19R2.62558 Ic1ccccc1COCC2CCCCCCC2 34a_100011216312_100011215278 [0,1,0,0,0,1|2,0,0]=4 11046 B19R2.62558 Ic1ccccc1COCC2CCCCCCC2 7a_100011216312_100011215278 [0,1,0,0,0,1|2,0,0]=4 11047 B19R2.62558 Nc1ccccc1CCOC2CC/C=C\CCC2 34a_100011215289_100021000466 [0,1,0,0,0,1|1,0,1]=4 11048 B19R2.62558 Oc1ccccc1CCNC2CC/C=C\CCC2 34a_100011207237_100021000466 [0,1,0,0,0,1|0,0,1]=3 11049 B19R2.62558 Oc1ccccc1CCNC2CCCCCCC2 270004a_100011207237_100000210524 [0,1,0,0,0,1|0,0,0]=2 11050 B19R2.62558 Oc1ccccc1CCNC2CCCCCCC2 34a_100000211152_100000722297 [0,1,0,0,0,1|0,0,0]=2 11051 B19R2.62558 Oc1ccccc1CCOC2C=CCCCCC2 34a_100000688657_100000722297 [0,1,0,0,0,1|1,0,1]=4 11052 B19R2.62558 Oc1ccccc1CCOC2CC/C=C\CCC2 34a_100016989180_100000722297 [0,1,0,0,0,1|1,0,1]=4 11053 B19R2.62558 Oc1ccccc1CCOC2CCCCCCC2 34a_100000210054_100000722297 [0,1,0,0,0,1|1,0,0]=3 11054 B19R2.62558 Oc1ccccc1CCOC2CCCCCCC2 7a_100000210054_100000722297 [0,1,0,0,0,1|1,0,0]=3 11055 B19R2.62558 Oc1ccccc1CCSC2CC/C=C\CCC2 62a_100000722297_100021000466 [0,1,0,0,0,1|1,0,1]=4 11056 B19R2.62558 Oc1ccccc1CCSC2CC/C=C\CCC2 62a_100021000466_100000722297 [0,1,0,0,0,1|1,0,1]=4 11057 B19R2.113678 CC(C[n+]1ccccc1)NC2CCCCCCC2 270004a_100000211152_100000034229 [0,1,0,0,0,1|1,0,0]=3 11058 B19R2.113678 CC(Cc1ccccc1)NC2CCCCCCC2 34a_100000211152_200011218536 [0,1,0,0,0,1|0,0,0]=2 11059 B19R2.113678 CC(Cc1ccccc1)OC2C=CCCCCC2 34a_100000688657_200011218536 [0,1,0,0,0,1|1,0,1]=4 11060 B19R2.113678 CC(Cc1ccccc1)OC2CC/C=C\CCC2 34a_100000748627_100021000466 [0,1,0,0,0,1|1,0,1]=4 11061 B19R2.113678 CC(Cc1ccccc1)OC2CC/C=C\CCC2 34a_100016989180_200011218536 [0,1,0,0,0,1|1,0,1]=4 11062 B19R2.113678 CC(Cc1ccccc1)OC2CC/C=C\CCC2 7a_100000748627_100021000466 [0,1,0,0,0,1|1,0,1]=4 11063 B19R2.113678 CC(Cc1ccccc1)OC2CCCCCCC2 34a_100000210054_200011218536 [0,1,0,0,0,1|1,0,0]=3 11064 B19R2.113678 CC(Cc1ccccc1)OC2CCCCCCC2 7a_100000210054_200011218536 [0,1,0,0,0,1|1,0,0]=3 11065 B19R2.113678 CC(Cc1ccccc1)SC2CC/C=C\CCC2 62a_100021000466_200011218536 [0,1,0,0,0,1|1,0,1]=4 11066 B19R2.113678 CC(Cc1ccccc1)SC2CC/C=C\CCC2 62a_200011218536_100021000466 [0,1,0,0,0,1|1,0,1]=4 11067 B19R2.113678 CC(Cc1ccccn1)NC2CCCCCCC2 270004a_100000238496_100000210524 [0,1,0,0,0,1|1,0,0]=3 11068 B19R2.113678 CC(Cc1cccnc1)NC2CCCCCCC2 270004a_100000211152_100015187140 [0,1,0,0,0,1|1,0,0]=3 11069 B19R2.113678 CC(Cc1cccnc1)NC2CCCCCCC2 270004a_100011207255_100000210524 [0,1,0,0,0,1|1,0,0]=3 11070 B19R2.113678 CC(Cc1ccncc1)NC2CCCCCCC2 270004a_100000211152_100000238508 [0,1,0,0,0,1|1,0,0]=3 11071 B19R2.113678 CC(Cc1cnccn1)NC2CCCCCCC2 270004a_100000211152_100015184882 [0,1,0,0,0,1|2,0,0]=4 11072 B19R2.113678 CC(Cc1cnccn1)NC2CCCCCCC2 270004a_100011277835_100000210524 [0,1,0,0,0,1|2,0,0]=4 11073 B19R2.113678 O=C(C[n+]1ccccc1)NC2CCCCCCC2 11a_100000211152_200000086051 [0,1,0,0,0,1|1,0,1]=4 11074 B19R2.113678 O=C(C[n+]1ccccc1)NC2CCCCCCC2 240690a_100000211152_200000086051 [0,1,0,0,0,1|1,0,1]=4 11075 B19R2.113678 O=C(C[n+]1ccccc1)NC2CCCCCCC2 527a_100000211152_200000086051 [0,1,0,0,0,1|1,0,1]=4 11076 B19R2.113678 O=C(Cc1ccccn1)NC2CCCCCCC2 11a_100000211152_100000233486 [0,1,0,0,0,1|1,0,1]=4 11077 B19R2.113678 O=C(Cc1cccnc1)NC2CCCCCCC2 11a_100000211152_100000737805 [0,1,0,0,0,1|1,0,1]=4 11078 B19R2.113678 O=C(Cc1cccnc1)NC2CCCCCCC2 240690a_100000211152_100000737805 [0,1,0,0,0,1|1,0,1]=4 11079 B19R2.113678 O=C(Cc1cccnc1)NC2CCCCCCC2 527a_100000211152_100000737805 [0,1,0,0,0,1|1,0,1]=4 11080 B19R2.113678 O=C(Cc1ccncc1)NC2CCCCCCC2 11a_100000211152_100011201483 [0,1,0,0,0,1|1,0,1]=4 11081 B19R2.113678 O=C(Cc1ccncc1)NC2CCCCCCC2 240690a_100000211152_100011201483 [0,1,0,0,0,1|1,0,1]=4 11082 B19R2.113678 O=C(Nc1ccccc1)NC2CCCCCCC2 2430a_100000106764_100000211152 [0,1,0,0,0,1|1,0,1]=4 11083 B19R2.113678 O[C@@H](Cc1ccccc1)CN2CCCCCCC2 2230a_100000211400_100000729385 [0,1,0,0,0,1|2,0,0]=4 11084 B19R2.113678 O[C@@H](Cc1ccccc1)CN2CCCCCCC2 269982a_100000211400_100000729385 [0,1,0,0,0,1|2,0,0]=4 11085 B19R2.113678 O[C@@H](Cc1ccccc1)CN2CCCCCCC2 34a_100000211400_100000729385 [0,1,0,0,0,1|2,0,0]=4 11086 B19R2.114049 CC(CCN1CCCCCCC1)c2ccccc2 270004a_100000211400_100000189432 [0,1,0,0,0,1|2,0,0]=4 11087 B19R2.114049 CC(CNC1CC/C=C\CCC1)c2ccccc2 34a_100000701038_100021000466 [0,1,0,0,0,1|0,0,1]=3 11088 B19R2.114049 CC(CNC1CCCCCCC1)c2ccccc2 2230a_100000211152_100000756946 [0,1,0,0,0,1|0,0,0]=2 11089 B19R2.114049 CC(CNC1CCCCCCC1)c2ccccc2 270004a_100000211152_100000212034 [0,1,0,0,0,1|0,0,0]=2 11090 B19R2.114049 CC(CNC1CCCCCCC1)c2ccccc2 270004a_100000701038_100000210524 [0,1,0,0,0,1|0,0,0]=2 11091 B19R2.114049 CC(CNC1CCCCCCC1)c2ccccc2 34a_100000211152_100000756946 [0,1,0,0,0,1|0,0,0]=2 11092 B19R2.114049 CC(COC1C=CCCCCC1)c2ccccc2 34a_100000688657_100000756946 [0,1,0,0,0,1|1,0,1]=4 11093 B19R2.114049 CC(COC1CC/C=C\CCC1)c2ccccc2 34a_100011215166_100021000466 [0,1,0,0,0,1|1,0,1]=4 11094 B19R2.114049 CC(COC1CC/C=C\CCC1)c2ccccc2 34a_100016989180_100000756946 [0,1,0,0,0,1|1,0,1]=4 11095 B19R2.114049 CC(COC1CC/C=C\CCC1)c2ccccc2 7a_100011215166_100021000466 [0,1,0,0,0,1|1,0,1]=4 11096 B19R2.114049 CC(COC1CCCCCCC1)c2ccccc2 34a_100000210054_100000756946 [0,1,0,0,0,1|1,0,0]=3 11097 B19R2.114049 CC(COC1CCCCCCC1)c2ccccc2 7a_100000210054_100000756946 [0,1,0,0,0,1|1,0,0]=3 11098 B19R2.114049 CC(CSC1CC/C=C\CCC1)c2ccccc2 62a_100000756946_100021000466 [0,1,0,0,0,1|1,0,1]=4 11099 B19R2.114049 CC(CSC1CC/C=C\CCC1)c2ccccc2 62a_100021000466_100000756946 [0,1,0,0,0,1|1,0,1]=4 11100 B19R2.114049 CC(OCC1CCCCCCC1)c2ccccc2 34a_100011216312_100000211855 [0,1,0,0,0,1|2,0,0]=4 11101 B19R2.114049 CC(OCC1CCCCCCC1)c2ccccc2 7a_100011216312_100000230085 [0,1,0,0,0,1|2,0,0]=4 11102 B19R2.114049 N[C@H](COC1CC/C=C\CCC1)c2ccccc2 34a_100000751927_100021000466 [0,1,0,0,0,1|1,0,1]=4 11103 B19R2.114049 O=C(CNC1CCCCCCC1)c2ccccn2 34a_100000211152_100000027445 [0,1,0,0,0,1|1,0,1]=4 11104 B19R2.114049 O=C(COC1CCCCCCC1)c2ccccc2 7a_100000210054_100000211460 [0,1,0,0,0,1|1,0,1]=4 11105 B19R2.114049 OC(CNC1CCCCCCC1)c2ccccc2 2230a_100000211152_100000185958 [0,1,0,0,0,1|0,0,0]=2 11106 B19R2.114049 OC(CNC1CCCCCCC1)c2ccccc2 270004a_100000210709_100000210524 [0,1,0,0,0,1|0,0,0]=2 11107 B19R2.114049 OC(CNC1CCCCCCC1)c2ccccc2 34a_100000211152_100000185958 [0,1,0,0,0,1|0,0,0]=2 11108 B19R2.114049 OC(CNC1CCCCCCC1)c2ccccn2 270004a_100000691469_100000210524 [0,1,0,0,0,1|1,0,0]=3 11109 B19R2.114049 OC(CNC1CCCCCCC1)c2cccnc2 270004a_100020605170_100000210524 [0,1,0,0,0,1|1,0,0]=3 11110 B19R2.114049 OC(COC1C=CCCCCC1)c2ccccc2 34a_100000688657_100000185958 [0,1,0,0,0,1|1,0,1]=4 11111 B19R2.114049 OC(COC1CC/C=C\CCC1)c2ccccc2 34a_100016989180_100000185958 [0,1,0,0,0,1|1,0,1]=4 11112 B19R2.114049 OC(COC1CCCCCCC1)c2ccccc2 34a_100000210054_100000185958 [0,1,0,0,0,1|1,0,0]=3 11113 B19R2.114049 OC(COC1CCCCCCC1)c2ccccc2 7a_100000210054_100000185958 [0,1,0,0,0,1|1,0,0]=3 11114 B19R2.114049 OC(CSC1CC/C=C\CCC1)c2ccccc2 62a_100000185958_100021000466 [0,1,0,0,0,1|1,0,1]=4 11115 B19R2.114049 OC(CSC1CC/C=C\CCC1)c2ccccc2 62a_100021000466_100000185958 [0,1,0,0,0,1|1,0,1]=4 11116 B19R2.114049 O[C@H](CCN1CCCCCCC1)c2ccccc2 2230a_100000211400_100000729684 [0,1,0,0,0,1|2,0,0]=4 11117 B19R2.114049 O[C@H](CCN1CCCCCCC1)c2ccccc2 269982a_100000211400_100000729684 [0,1,0,0,0,1|2,0,0]=4 11118 B19R2.114049 O[C@H](CCN1CCCCCCC1)c2ccccc2 34a_100000211400_100000729684 [0,1,0,0,0,1|2,0,0]=4 11119 B19R2.114049 O[C@H](CNC1CCCCCCC1)c2ccccc2 2230a_100000211152_100011933945 [0,1,0,0,0,1|0,0,0]=2 11120 B19R2.114049 O[C@H](CNC1CCCCCCC1)c2ccccc2 34a_100000211152_100011933945 [0,1,0,0,0,1|0,0,0]=2 11121 B19R2.114049 O[C@H](COC1C=CCCCCC1)c2ccccc2 34a_100000688657_100011933945 [0,1,0,0,0,1|1,0,1]=4 11122 B19R2.114049 O[C@H](COC1CC/C=C\CCC1)c2ccccc2 34a_100016989180_100011933945 [0,1,0,0,0,1|1,0,1]=4 11123 B19R2.114049 O[C@H](COC1CCCCCCC1)c2ccccc2 34a_100000210054_100011933945 [0,1,0,0,0,1|1,0,0]=3 11124 B19R2.114049 O[C@H](COC1CCCCCCC1)c2ccccc2 7a_100000210054_100011933945 [0,1,0,0,0,1|1,0,0]=3 11125 B19R2.114049 O[C@H](CSC1CC/C=C\CCC1)c2ccccc2 62a_100011933945_100021000466 [0,1,0,0,0,1|1,0,1]=4 11126 B19R2.114049 O[C@H](CSC1CC/C=C\CCC1)c2ccccc2 62a_100021000466_100011933945 [0,1,0,0,0,1|1,0,1]=4 11127 B19R2.152001 Brc1ccc(cc1)CCCN2CCCCCCC2 2230a_100000211400_100011713682 [0,1,0,0,0,1|2,0,0]=4 11128 B19R2.152001 Brc1ccc(cc1)CCCN2CCCCCCC2 269982a_100000211400_100011713682 [0,1,0,0,0,1|2,0,0]=4 11129 B19R2.152001 Brc1ccc(cc1)CCCN2CCCCCCC2 34a_100000211400_100011713682 [0,1,0,0,0,1|2,0,0]=4 11130 B19R2.152001 Brc1ccc(cc1)CCNC2CC/C=C\CCC2 34a_100000755846_100021000466 [0,1,0,0,0,1|0,0,1]=3 11131 B19R2.152001 Brc1ccc(cc1)CCNC2CCCCCCC2 2230a_100000211152_100011740612 [0,1,0,0,0,1|0,0,0]=2 11132 B19R2.152001 Brc1ccc(cc1)CCNC2CCCCCCC2 270004a_100000755846_100000210524 [0,1,0,0,0,1|0,0,0]=2 11133 B19R2.152001 Brc1ccc(cc1)CCNC2CCCCCCC2 34a_100000211152_100011740612 [0,1,0,0,0,1|0,0,0]=2 11134 B19R2.152001 Brc1ccc(cc1)CCOC2C=CCCCCC2 34a_100000688657_100011740612 [0,1,0,0,0,1|1,0,1]=4 11135 B19R2.152001 Brc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100000766406_100021000466 [0,1,0,0,0,1|1,0,1]=4 11136 B19R2.152001 Brc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100016989180_100011740612 [0,1,0,0,0,1|1,0,1]=4 11137 B19R2.152001 Brc1ccc(cc1)CCOC2CC/C=C\CCC2 7a_100000766406_100021000466 [0,1,0,0,0,1|1,0,1]=4 11138 B19R2.152001 Brc1ccc(cc1)CCOC2CCCCCCC2 34a_100000210054_100011740612 [0,1,0,0,0,1|1,0,0]=3 11139 B19R2.152001 Brc1ccc(cc1)CCOC2CCCCCCC2 7a_100000210054_100011740612 [0,1,0,0,0,1|1,0,0]=3 11140 B19R2.152001 Brc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100011740612_100021000466 [0,1,0,0,0,1|1,0,1]=4 11141 B19R2.152001 Brc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100021000466_100011740612 [0,1,0,0,0,1|1,0,1]=4 11142 B19R2.152001 Brc1ccc(cc1)COCC2CCCCCCC2 34a_100011216312_100000189115 [0,1,0,0,0,1|2,0,0]=4 11143 B19R2.152001 Brc1ccc(cc1)COCC2CCCCCCC2 7a_100011216312_100011217064 [0,1,0,0,0,1|2,0,0]=4 11144 B19R2.152001 Cc1ccc(cc1)CCNC2CC/C=C\CCC2 34a_100000705350_100021000466 [0,1,0,0,0,1|0,0,1]=3 11145 B19R2.152001 Cc1ccc(cc1)CCNC2CCCCCCC2 2230a_100000211152_100011713686 [0,1,0,0,0,1|0,0,0]=2 11146 B19R2.152001 Cc1ccc(cc1)CCNC2CCCCCCC2 270004a_100000705350_100000210524 [0,1,0,0,0,1|0,0,0]=2 11147 B19R2.152001 Cc1ccc(cc1)CCNC2CCCCCCC2 34a_100000211152_100011713686 [0,1,0,0,0,1|0,0,0]=2 11148 B19R2.152001 Cc1ccc(cc1)CCOC2C=CCCCCC2 34a_100000688657_100011713686 [0,1,0,0,0,1|1,0,1]=4 11149 B19R2.152001 Cc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100000756670_100021000466 [0,1,0,0,0,1|1,0,1]=4 11150 B19R2.152001 Cc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100016989180_100011713686 [0,1,0,0,0,1|1,0,1]=4 11151 B19R2.152001 Cc1ccc(cc1)CCOC2CC/C=C\CCC2 7a_100000756670_100021000466 [0,1,0,0,0,1|1,0,1]=4 11152 B19R2.152001 Cc1ccc(cc1)CCOC2CCCCCCC2 34a_100000210054_100011713686 [0,1,0,0,0,1|1,0,0]=3 11153 B19R2.152001 Cc1ccc(cc1)CCOC2CCCCCCC2 7a_100000210054_100011713686 [0,1,0,0,0,1|1,0,0]=3 11154 B19R2.152001 Cc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100011713686_100021000466 [0,1,0,0,0,1|1,0,1]=4 11155 B19R2.152001 Cc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100021000466_100011713686 [0,1,0,0,0,1|1,0,1]=4 11156 B19R2.152001 Cc1ccc(cc1)COCC2CCCCCCC2 34a_100011216312_100000210814 [0,1,0,0,0,1|2,0,0]=4 11157 B19R2.152001 Cc1ccc(cc1)COCC2CCCCCCC2 7a_100011216312_100000210814 [0,1,0,0,0,1|2,0,0]=4 11158 B19R2.152001 Clc1ccc(cc1)CCCN2CCCCCCC2 2230a_100000211400_100000759440 [0,1,0,0,0,1|2,0,0]=4 11159 B19R2.152001 Clc1ccc(cc1)CCCN2CCCCCCC2 269982a_100000211400_100000759440 [0,1,0,0,0,1|2,0,0]=4 11160 B19R2.152001 Clc1ccc(cc1)CCCN2CCCCCCC2 34a_100000211400_100000759440 [0,1,0,0,0,1|2,0,0]=4 11161 B19R2.152001 Clc1ccc(cc1)CCNC2CC/C=C\CCC2 34a_100000185265_100021000466 [0,1,0,0,0,1|0,0,1]=3 11162 B19R2.152001 Clc1ccc(cc1)CCNC2CCCCCCC2 2230a_100000211152_100011713675 [0,1,0,0,0,1|0,0,0]=2 11163 B19R2.152001 Clc1ccc(cc1)CCNC2CCCCCCC2 270004a_100000185265_100000210524 [0,1,0,0,0,1|0,0,0]=2 11164 B19R2.152001 Clc1ccc(cc1)CCNC2CCCCCCC2 34a_100000211152_100011713675 [0,1,0,0,0,1|0,0,0]=2 11165 B19R2.152001 Clc1ccc(cc1)CCOC2C=CCCCCC2 34a_100000688657_100011713675 [0,1,0,0,0,1|1,0,1]=4 11166 B19R2.152001 Clc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100011219627_100021000466 [0,1,0,0,0,1|1,0,1]=4 11167 B19R2.152001 Clc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100016989180_100011713675 [0,1,0,0,0,1|1,0,1]=4 11168 B19R2.152001 Clc1ccc(cc1)CCOC2CC/C=C\CCC2 7a_100011219627_100021000466 [0,1,0,0,0,1|1,0,1]=4 11169 B19R2.152001 Clc1ccc(cc1)CCOC2CCCCCCC2 34a_100000210054_100011713675 [0,1,0,0,0,1|1,0,0]=3 11170 B19R2.152001 Clc1ccc(cc1)CCOC2CCCCCCC2 7a_100000210054_100011713675 [0,1,0,0,0,1|1,0,0]=3 11171 B19R2.152001 Clc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100011713675_100021000466 [0,1,0,0,0,1|1,0,1]=4 11172 B19R2.152001 Clc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100021000466_100011713675 [0,1,0,0,0,1|1,0,1]=4 11173 B19R2.152001 Clc1ccc(cc1)COCC2CCCCCCC2 34a_100011216312_100000694040 [0,1,0,0,0,1|2,0,0]=4 11174 B19R2.152001 Clc1ccc(cc1)COCC2CCCCCCC2 7a_100011216312_100000187161 [0,1,0,0,0,1|2,0,0]=4 11175 B19R2.152001 Fc1ccc(cc1)CCCN2CCCCCCC2 2230a_100000211400_200011713563 [0,1,0,0,0,1|2,0,0]=4 11176 B19R2.152001 Fc1ccc(cc1)CCCN2CCCCCCC2 269982a_100000211400_200011713563 [0,1,0,0,0,1|2,0,0]=4 11177 B19R2.152001 Fc1ccc(cc1)CCCN2CCCCCCC2 34a_100000211400_200011713563 [0,1,0,0,0,1|2,0,0]=4 11178 B19R2.152001 Fc1ccc(cc1)CCNC2CC/C=C\CCC2 34a_100000199005_100021000466 [0,1,0,0,0,1|0,0,1]=3 11179 B19R2.152001 Fc1ccc(cc1)CCNC2CCCCCCC2 2230a_100000211152_100011217392 [0,1,0,0,0,1|0,0,0]=2 11180 B19R2.152001 Fc1ccc(cc1)CCNC2CCCCCCC2 270004a_100000199005_100000210524 [0,1,0,0,0,1|0,0,0]=2 11181 B19R2.152001 Fc1ccc(cc1)CCNC2CCCCCCC2 34a_100000211152_100011217392 [0,1,0,0,0,1|0,0,0]=2 11182 B19R2.152001 Fc1ccc(cc1)CCOC2C=CCCCCC2 34a_100000688657_100011217392 [0,1,0,0,0,1|1,0,1]=4 11183 B19R2.152001 Fc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100000754732_100021000466 [0,1,0,0,0,1|1,0,1]=4 11184 B19R2.152001 Fc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100016989180_100011217392 [0,1,0,0,0,1|1,0,1]=4 11185 B19R2.152001 Fc1ccc(cc1)CCOC2CC/C=C\CCC2 7a_100000754732_100021000466 [0,1,0,0,0,1|1,0,1]=4 11186 B19R2.152001 Fc1ccc(cc1)CCOC2CCCCCCC2 34a_100000210054_100011217392 [0,1,0,0,0,1|1,0,0]=3 11187 B19R2.152001 Fc1ccc(cc1)CCOC2CCCCCCC2 7a_100000210054_100011217392 [0,1,0,0,0,1|1,0,0]=3 11188 B19R2.152001 Fc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100011217392_100021000466 [0,1,0,0,0,1|1,0,1]=4 11189 B19R2.152001 Fc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100021000466_100011217392 [0,1,0,0,0,1|1,0,1]=4 11190 B19R2.152001 Fc1ccc(cc1)COCC2CCCCCCC2 34a_100011216312_100000198546 [0,1,0,0,0,1|2,0,0]=4 11191 B19R2.152001 Fc1ccc(cc1)COCC2CCCCCCC2 7a_100011216312_100000198546 [0,1,0,0,0,1|2,0,0]=4 11192 B19R2.152001 Ic1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100012291149_100021000466 [0,1,0,0,0,1|1,0,1]=4 11193 B19R2.152001 Ic1ccc(cc1)CCOC2CC/C=C\CCC2 7a_100012291149_100021000466 [0,1,0,0,0,1|1,0,1]=4 11194 B19R2.152001 Ic1ccc(cc1)COCC2CCCCCCC2 34a_100011216312_100000189116 [0,1,0,0,0,1|2,0,0]=4 11195 B19R2.152001 Ic1ccc(cc1)COCC2CCCCCCC2 7a_100011216312_100000189116 [0,1,0,0,0,1|2,0,0]=4 11196 B19R2.152001 Nc1ccc(cc1)CCOC2CC/C=C\CCC2 34a_100011204434_100021000466 [0,1,0,0,0,1|1,0,1]=4 11197 B19R2.152001 Oc1ccc(cc1)CCNC2CC/C=C\CCC2 34a_100000743037_100021000466 [0,1,0,0,0,1|0,0,1]=3 11198 B19R2.152001 Oc1ccc(cc1)CCNC2CCCCCCC2 2230a_100000211152_100009816426 [0,1,0,0,0,1|0,0,0]=2 11199 B19R2.152001 Oc1ccc(cc1)CCNC2CCCCCCC2 270004a_100000743037_100000210524 [0,1,0,0,0,1|0,0,0]=2 11200 B19R2.152001 Oc1ccc(cc1)CCOC2CCCCCCC2 7a_100000210054_100009816426 [0,1,0,0,0,1|1,0,0]=3 11201 B19R2.152001 Oc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100009816426_100021000466 [0,1,0,0,0,1|1,0,1]=4 11202 B19R2.152001 Oc1ccc(cc1)CCSC2CC/C=C\CCC2 62a_100021000466_100009816426 [0,1,0,0,0,1|1,0,1]=4 11203 B19R2.210909 CC(CCc1ccccc1)N2CCCCCCC2 270004a_100000211400_100000210092 [0,1,0,0,0,1|2,0,0]=4 11204 B19R2.210909 CN(CCc1ccccc1)C2CC/C=C\CCC2 269982a_100000207497_100021000466 [0,1,0,0,0,1|0,0,1]=3 11205 B19R2.210909 CN(CCc1ccccc1)C2CCCCCCC2 270004a_100000207497_100000210524 [0,1,0,0,0,1|0,0,0]=2 11206 B19R2.210909 CN(CCc1ccccn1)C2CC/C=C\CCC2 269982a_100000737206_100021000466 [0,1,0,0,0,1|1,0,1]=4 11207 B19R2.210909 CN(CCc1ccccn1)C2CCCCCCC2 270004a_100000737206_100000210524 [0,1,0,0,0,1|1,0,0]=3 11208 B19R2.210909 CN(CCc1cccnc1)C2CC/C=C\CCC2 269982a_100000763209_100021000466 [0,1,0,0,0,1|1,0,1]=4 11209 B19R2.210909 CN(CCc1cccnc1)C2CCCCCCC2 270004a_100000763209_100000210524 [0,1,0,0,0,1|1,0,0]=3 11210 B19R2.210909 CN(CCc1ccncc1)C2CC/C=C\CCC2 269982a_100000742850_100021000466 [0,1,0,0,0,1|1,0,1]=4 11211 B19R2.210909 CN(CCc1ccncc1)C2CCCCCCC2 270004a_100000742850_100000210524 [0,1,0,0,0,1|1,0,0]=3 11212 B19R2.210909 O=C(CCc1ccccc1)C2CC/C=C\CCC2 1458a_100000185753_100021000466 [0,1,0,0,0,1|1,0,1]=4 11213 B19R2.210909 O=C(CCc1ccccc1)N2CCCCCCC2 11a_100000211400_100000185753 [0,1,0,0,0,1|2,0,0]=4 11214 B19R2.210909 O=C(CCc1ccccc1)N2CCCCCCC2 1626a_100000211400_100000185753 [0,1,0,0,0,1|2,0,0]=4 11215 B19R2.210909 O=C(CCc1ccccc1)N2CCCCCCC2 240690a_100000211400_100000185753 [0,1,0,0,0,1|2,0,0]=4 11216 B19R2.210909 O=C(CCc1ccccc1)N2CCCCCCC2 527a_100000211400_100000185753 [0,1,0,0,0,1|2,0,0]=4 11217 B19R2.7326 O=C1CCCCCC1OCCCc2ccccc2 7a_100000210828_100000243696 [0,1,0,0,0,1|1,0,1]=4 11218 B19R2.7326 O=C1CCCCCC1OCCOc2ccccc2 7a_100000210260_100000243696 [0,1,0,0,0,1|1,0,1]=4 11219 B19R2.7326 O=C1CCCCCC1OCCSc2ccccc2 7a_100000230494_100000243696 [0,1,0,0,0,1|1,0,1]=4 11220 B19R2.7326 O=C1CCCCCC1SCCCc2ccccc2 62a_100000211621_100000243696 [0,1,0,0,0,1|1,0,1]=4 11221 B19R2.7326 O=C1CCCCCC1SCCCc2ccccc2 62a_100000243696_100000211621 [0,1,0,0,0,1|1,0,1]=4 11222 B19R2.7326 O=C1CCCCCC1SCCOc2ccccc2 62a_100000184471_100000243696 [0,1,0,0,0,1|1,0,1]=4 11223 B19R2.7326 O=C1CCCCCC1SCCOc2ccccc2 62a_100000243696_100000184471 [0,1,0,0,0,1|1,0,1]=4 11224 B19R2.7326 O=C1CCCCCC1SCCSc2ccccc2 62a_100000243696_100000246102 [0,1,0,0,0,1|1,0,1]=4 11225 B19R2.7326 O=C1CCCCCC1SCCSc2ccccc2 62a_100000246102_100000243696 [0,1,0,0,0,1|1,0,1]=4 11226 B19R2.7326 O=C1CCCCCC1SCOCc2ccccc2 62a_100000243696_100000763385 [0,1,0,0,0,1|1,0,1]=4 11227 B19R2.7326 O=C1CCCCCC1SCOCc2ccccc2 62a_100000763385_100000243696 [0,1,0,0,0,1|1,0,1]=4 11228 B19R2.7326 O=C1CCCCCC1SCSCc2ccccc2 62a_100000243696_200011217039 [0,1,0,0,0,1|1,0,1]=4 11229 B19R2.7326 O=C1CCCCCC1SCSCc2ccccc2 62a_200011217039_100000243696 [0,1,0,0,0,1|1,0,1]=4 11230 B19R2.7326 O=C1NCCCCC1NCCCc2ccccc2 2230a_100000211184_100000735217 [0,1,0,0,0,1|1,0,1]=4 11231 B19R2.7326 O=C1NCCCCC1NCCCc2ccccc2 2230a_100000698827_100000211621 [0,1,0,0,0,1|1,0,1]=4 11232 B19R2.7326 O=C1NCCCCC1NCCCc2ccccc2 34a_100000698827_100000211621 [0,1,0,0,0,1|1,0,1]=4 11233 B19R2.7326 O=C1NCCCCC1NCCOc2ccccc2 2230a_100000174943_100000735217 [0,1,0,0,0,1|1,0,1]=4 11234 B19R2.7326 O=C1NCCCCC1NCCOc2ccccc2 2230a_100000698827_100000184471 [0,1,0,0,0,1|1,0,1]=4 11235 B19R2.7326 O=C1NCCCCC1NCCOc2ccccc2 270004a_100000698827_100000758736 [0,1,0,0,0,1|1,0,1]=4 11236 B19R2.7326 O=C1NCCCCC1NCCOc2ccccc2 34a_100000698827_100000184471 [0,1,0,0,0,1|1,0,1]=4 11237 B19R2.7326 O=C1NCCCCC1NCCSc2ccccc2 2230a_100000189519_100000735217 [0,1,0,0,0,1|1,0,1]=4 11238 B19R2.7326 O=C1NCCCCC1NCCSc2ccccc2 2230a_100000698827_100000246102 [0,1,0,0,0,1|1,0,1]=4 11239 B19R2.7326 O=C1NCCCCC1NCCSc2ccccc2 34a_100000698827_100000246102 [0,1,0,0,0,1|1,0,1]=4 11240 B19R2.7326 O=C1NCCCCC1NCOCc2ccccc2 2230a_100000698827_100000763385 [0,1,0,0,0,1|1,0,1]=4 11241 B19R2.7326 O=C1NCCCCC1NCOCc2ccccc2 34a_100000698827_100000763385 [0,1,0,0,0,1|1,0,1]=4 11242 B19R2.7326 O=C1NCCCCC1NCSCc2ccccc2 2230a_100000698827_200011217039 [0,1,0,0,0,1|1,0,1]=4 11243 B19R2.7326 O=C1NCCCCC1NCSCc2ccccc2 34a_100000698827_200011217039 [0,1,0,0,0,1|1,0,1]=4 11244 B19R2.48744 OC1CCCCN(C1)CCCCc2ccccc2 2230a_100025706797_100000701786 [0,1,0,0,0,1|2,0,0]=4 11245 B19R2.48744 OC1CCCCN(C1)CCCCc2ccccc2 269982a_100025706797_100000701786 [0,1,0,0,0,1|2,0,0]=4 11246 B19R2.48744 OC1CCCCN(C1)CCCOc2ccccc2 2230a_100025706797_100000199009 [0,1,0,0,0,1|2,0,0]=4 11247 B19R2.48744 OC1CCCCN(C1)CCCOc2ccccc2 269982a_100025706797_100000199009 [0,1,0,0,0,1|2,0,0]=4 11248 B19R2.48744 OC1CCCCN(C1)CCCSc2ccccc2 2230a_100025706797_200011203293 [0,1,0,0,0,1|2,0,0]=4 11249 B19R2.48744 OC1CCCCN(C1)CCCSc2ccccc2 269982a_100025706797_200011203293 [0,1,0,0,0,1|2,0,0]=4 11250 B19R2.48744 OC1CCCCN(C1)CCOCc2ccccc2 2230a_100025706797_100000234347 [0,1,0,0,0,1|2,0,0]=4 11251 B19R2.48744 OC1CCCCN(C1)CCOCc2ccccc2 269982a_100025706797_100000234347 [0,1,0,0,0,1|2,0,0]=4 11252 B19R2.48744 OC1CCCCN(C1)CCSCc2ccccc2 2230a_100025706797_200011297719 [0,1,0,0,0,1|2,0,0]=4 11253 B19R2.48744 OC1CCCCN(C1)CCSCc2ccccc2 269982a_100025706797_200011297719 [0,1,0,0,0,1|2,0,0]=4 11254 B19R2.62193 CC1CCCN(CC1)CCCCc2ccccc2 2230a_100025706717_100000701786 [0,1,0,0,0,1|2,0,0]=4 11255 B19R2.62193 CC1CCCN(CC1)CCCCc2ccccc2 269982a_100025706717_100000701786 [0,1,0,0,0,1|2,0,0]=4 11256 B19R2.62193 CC1CCCN(CC1)CCCCc2ccccc2 34a_100025706717_100000701786 [0,1,0,0,0,1|2,0,0]=4 11257 B19R2.62193 CC1CCCN(CC1)CCCOc2ccccc2 2230a_100025706717_100000199009 [0,1,0,0,0,1|2,0,0]=4 11258 B19R2.62193 CC1CCCN(CC1)CCCOc2ccccc2 269982a_100025706717_100000199009 [0,1,0,0,0,1|2,0,0]=4 11259 B19R2.62193 CC1CCCN(CC1)CCCOc2ccccc2 34a_100025706717_100000199009 [0,1,0,0,0,1|2,0,0]=4 11260 B19R2.62193 CC1CCCN(CC1)CCCSc2ccccc2 2230a_100025706717_200011203293 [0,1,0,0,0,1|2,0,0]=4 11261 B19R2.62193 CC1CCCN(CC1)CCCSc2ccccc2 269982a_100025706717_200011203293 [0,1,0,0,0,1|2,0,0]=4 11262 B19R2.62193 CC1CCCN(CC1)CCCSc2ccccc2 34a_100025706717_200011203293 [0,1,0,0,0,1|2,0,0]=4 11263 B19R2.62193 CC1CCCN(CC1)CCOCc2ccccc2 2230a_100025706717_100000234347 [0,1,0,0,0,1|2,0,0]=4 11264 B19R2.62193 CC1CCCN(CC1)CCOCc2ccccc2 269982a_100025706717_100000234347 [0,1,0,0,0,1|2,0,0]=4 11265 B19R2.62193 CC1CCCN(CC1)CCOCc2ccccc2 34a_100025706717_100000234347 [0,1,0,0,0,1|2,0,0]=4 11266 B19R2.62193 CC1CCCN(CC1)CCSCc2ccccc2 2230a_100025706717_200011297719 [0,1,0,0,0,1|2,0,0]=4 11267 B19R2.62193 CC1CCCN(CC1)CCSCc2ccccc2 269982a_100025706717_200011297719 [0,1,0,0,0,1|2,0,0]=4 11268 B19R2.62193 CC1CCCN(CC1)CCSCc2ccccc2 34a_100025706717_200011297719 [0,1,0,0,0,1|2,0,0]=4 11269 B19R2.62193 OC1CCCN(CC1)CCCCc2ccccc2 2230a_100015186869_100000701786 [0,1,0,0,0,1|2,0,0]=4 11270 B19R2.62193 OC1CCCN(CC1)CCCCc2ccccc2 269982a_100015186869_100000701786 [0,1,0,0,0,1|2,0,0]=4 11271 B19R2.62193 OC1CCCN(CC1)CCCOc2ccccc2 2230a_100015186869_100000199009 [0,1,0,0,0,1|2,0,0]=4 11272 B19R2.62193 OC1CCCN(CC1)CCCOc2ccccc2 269982a_100015186869_100000199009 [0,1,0,0,0,1|2,0,0]=4 11273 B19R2.62193 OC1CCCN(CC1)CCCSc2ccccc2 2230a_100015186869_200011203293 [0,1,0,0,0,1|2,0,0]=4 11274 B19R2.62193 OC1CCCN(CC1)CCCSc2ccccc2 269982a_100015186869_200011203293 [0,1,0,0,0,1|2,0,0]=4 11275 B19R2.62193 OC1CCCN(CC1)CCOCc2ccccc2 2230a_100015186869_100000234347 [0,1,0,0,0,1|2,0,0]=4 11276 B19R2.62193 OC1CCCN(CC1)CCOCc2ccccc2 269982a_100015186869_100000234347 [0,1,0,0,0,1|2,0,0]=4 11277 B19R2.62193 OC1CCCN(CC1)CCSCc2ccccc2 2230a_100015186869_200011297719 [0,1,0,0,0,1|2,0,0]=4 11278 B19R2.62193 OC1CCCN(CC1)CCSCc2ccccc2 269982a_100015186869_200011297719 [0,1,0,0,0,1|2,0,0]=4 11279 B19R2.97965 Brc1ccccc1C#CCNC2CCCCCC2 2230a_100000210984_100010706765 [0,1,0,0,0,1|0,0,1]=3 11280 B19R2.97965 Brc1ccccc1C#CCNC2CCCCCC2 34a_100000210984_100010706765 [0,1,0,0,0,1|0,0,1]=3 11281 B19R2.97965 Brc1ccccc1C#CCOC2CCCCCC2 34a_100000210887_100010706765 [0,1,0,0,0,1|1,0,1]=4 11282 B19R2.97965 Brc1ccccc1C#CCOC2CCCCCC2 34a_100009814404_100011217769 [0,1,0,0,0,1|1,0,1]=4 11283 B19R2.97965 Brc1ccccc1C#CCOC2CCCCCC2 7a_100000210887_100010706765 [0,1,0,0,0,1|1,0,1]=4 11284 B19R2.97965 Brc1ccccc1C#CCSC2CCCCCC2 62a_100010706765_100011217769 [0,1,0,0,0,1|1,0,1]=4 11285 B19R2.97965 Brc1ccccc1C#CCSC2CCCCCC2 62a_100011217769_100010706765 [0,1,0,0,0,1|1,0,1]=4 11286 B19R2.97965 Brc1ccccc1C=CCNC2CCCCCC2 270004a_100000210984_200016268969 [0,1,0,0,0,1|0,0,1]=3 11287 B19R2.97965 Brc1ccccc1CCCNC2CCCCCC2 2230a_100000210984_200011713681 [0,1,0,0,0,1|0,0,0]=2 11288 B19R2.97965 Brc1ccccc1CCCNC2CCCCCC2 34a_100000210984_200011713681 [0,1,0,0,0,1|0,0,0]=2 11289 B19R2.97965 Brc1ccccc1CCCOC2CCCCCC2 34a_100000210887_200011713681 [0,1,0,0,0,1|1,0,0]=3 11290 B19R2.97965 Brc1ccccc1CCCOC2CCCCCC2 34a_100000699526_100011217769 [0,1,0,0,0,1|1,0,0]=3 11291 B19R2.97965 Brc1ccccc1CCCOC2CCCCCC2 7a_100000210887_200011713681 [0,1,0,0,0,1|1,0,0]=3 11292 B19R2.97965 Brc1ccccc1CCCSC2CCCCCC2 62a_100011217769_200011713681 [0,1,0,0,0,1|1,0,0]=3 11293 B19R2.97965 Brc1ccccc1CCCSC2CCCCCC2 62a_200011713681_100011217769 [0,1,0,0,0,1|1,0,0]=3 11294 B19R2.97965 Brc1ccccc1CCNCC2CCCCCC2 2230a_100000747383_200000696569 [0,1,0,0,0,1|0,0,0]=2 11295 B19R2.97965 Brc1ccccc1CCNCC2CCCCCC2 2230a_100015204231_100012161201 [0,1,0,0,0,1|0,0,0]=2 11296 B19R2.97965 Brc1ccccc1CCNCC2CCCCCC2 269862a_100000747383_200000763224 [0,1,0,0,0,1|0,0,0]=2 11297 B19R2.97965 Brc1ccccc1CCNCC2CCCCCC2 34a_100000747383_200000696569 [0,1,0,0,0,1|0,0,0]=2 11298 B19R2.97965 Brc1ccccc1CCNCC2CCCCCC2 34a_100015204231_100012161201 [0,1,0,0,0,1|0,0,0]=2 11299 B19R2.97965 Brc1ccccc1CCOCC2CCCCCC2 34a_100000699130_100012161201 [0,1,0,0,0,1|1,0,0]=3 11300 B19R2.97965 Brc1ccccc1CCOCC2CCCCCC2 34a_100000731337_200000696569 [0,1,0,0,0,1|1,0,0]=3 11301 B19R2.97965 Brc1ccccc1CCOCC2CCCCCC2 7a_100000699130_100012161201 [0,1,0,0,0,1|1,0,0]=3 11302 B19R2.97965 Brc1ccccc1CCOCC2CCCCCC2 7a_100000731337_200000696569 [0,1,0,0,0,1|1,0,0]=3 11303 B19R2.97965 Brc1ccccc1CCSCC2CCCCCC2 62a_100012161201_200000696569 [0,1,0,0,0,1|1,0,0]=3 11304 B19R2.97965 Brc1ccccc1CCSCC2CCCCCC2 62a_200000696569_100012161201 [0,1,0,0,0,1|1,0,0]=3 11305 B19R2.97965 Brc1ccccc1CNCCC2CCCCCC2 207a_100011532351_100000211189 [0,1,0,0,0,1|1,0,0]=3 11306 B19R2.97965 Brc1ccccc1CNCCC2CCCCCC2 2230a_100011532351_100000184730 [0,1,0,0,0,1|1,0,0]=3 11307 B19R2.97965 Brc1ccccc1CNCCC2CCCCCC2 270004a_100011532351_100000211189 [0,1,0,0,0,1|1,0,0]=3 11308 B19R2.97965 Brc1ccccc1CNCCC2CCCCCC2 34a_100011532351_100000184730 [0,1,0,0,0,1|1,0,0]=3 11309 B19R2.97965 Brc1ccccc1CNCCN2CCCCCC2 207a_100000738142_100000211189 [0,1,0,0,0,1|2,0,0]=4 11310 B19R2.97965 Brc1ccccc1CNCCN2CCCCCC2 270004a_100000738142_100000211189 [0,1,0,0,0,1|2,0,0]=4 11311 B19R2.97965 Brc1ccccc1CNN=CC2CCCCCC2 4a_200016993956_200000763224 [0,1,0,0,0,1|1,0,1]=4 11312 B19R2.97965 Brc1ccccc1COCCN2CCCCCC2 34a_100000238007_100000184730 [0,1,0,0,0,1|2,0,0]=4 11313 B19R2.97965 Brc1ccccc1COCCN2CCCCCC2 7a_100000756307_100000722644 [0,1,0,0,0,1|2,0,0]=4 11314 B19R2.97965 Brc1ccccc1CSCCN2CCCCCC2 62a_100000184730_100000722644 [0,1,0,0,0,1|2,0,0]=4 11315 B19R2.97965 Brc1ccccc1CSCCN2CCCCCC2 62a_100000722644_100000184730 [0,1,0,0,0,1|2,0,0]=4 11316 B19R2.97965 Brc1ccccc1OCCCN2CCCCCC2 2230a_100000185865_200011259276 [0,1,0,0,0,1|2,0,0]=4 11317 B19R2.97965 Brc1ccccc1OCCCN2CCCCCC2 269982a_100000185865_200011259276 [0,1,0,0,0,1|2,0,0]=4 11318 B19R2.97965 Brc1ccccc1OCCCN2CCCCCC2 34a_100000185865_200011259276 [0,1,0,0,0,1|2,0,0]=4 11319 B19R2.97965 Brc1ccccc1OCCNC2CCCCCC2 2230a_100000210984_100000695877 [0,1,0,0,0,1|0,0,0]=2 11320 B19R2.97965 Brc1ccccc1OCCNC2CCCCCC2 270004a_100000744007_100000210131 [0,1,0,0,0,1|0,0,0]=2 11321 B19R2.97965 Brc1ccccc1OCCNC2CCCCCC2 34a_100000210984_100000695877 [0,1,0,0,0,1|0,0,0]=2 11322 B19R2.97965 Brc1ccccc1OCCNC2CCCCCC2 34a_100000744007_100011217769 [0,1,0,0,0,1|0,0,0]=2 11323 B19R2.97965 Brc1ccccc1OCCNC2CCCNCC2 270004a_100000744007_100015187895 [0,1,0,0,0,1|1,0,0]=3 11324 B19R2.97965 Brc1ccccc1OCCNC2CSCCSC2 270004a_100000744007_100000068409 [0,1,0,0,0,1|2,0,0]=4 11325 B19R2.97965 Brc1ccccc1OCCOC2CCCCCC2 34a_100000210887_100000695877 [0,1,0,0,0,1|1,0,0]=3 11326 B19R2.97965 Brc1ccccc1OCCOC2CCCCCC2 34a_100000230753_100011217769 [0,1,0,0,0,1|1,0,0]=3 11327 B19R2.97965 Brc1ccccc1OCCOC2CCCCCC2 7a_100000210887_100000695877 [0,1,0,0,0,1|1,0,0]=3 11328 B19R2.97965 Brc1ccccc1OCCSC2CCCCCC2 62a_100000695877_100011217769 [0,1,0,0,0,1|1,0,0]=3 11329 B19R2.97965 Brc1ccccc1OCCSC2CCCCCC2 62a_100011217769_100000695877 [0,1,0,0,0,1|1,0,0]=3 11330 B19R2.97965 Brc1ccccc1SCCOC2CCCCCC2 34a_200000230852_100011217769 [0,1,0,0,0,1|1,0,0]=3 11331 B19R2.97965 Brc1cccnc1CNCCC2CCCCCC2 207a_100011532351_100011934733 [0,1,0,0,0,1|2,0,0]=4 11332 B19R2.97965 Brc1cccnc1CNCCC2CCCCCC2 2230a_100011532351_100025702911 [0,1,0,0,0,1|2,0,0]=4 11333 B19R2.97965 Brc1cccnc1CNCCC2CCCCCC2 270004a_100011532351_100011934733 [0,1,0,0,0,1|2,0,0]=4 11334 B19R2.97965 Brc1cccnc1CNCCC2CCCCCC2 34a_100011532351_100025702911 [0,1,0,0,0,1|2,0,0]=4 11335 B19R2.97965 Brc1ccncc1CNCCC2CCCCCC2 270004a_100011532351_100009816821 [0,1,0,0,0,1|2,0,0]=4 11336 B19R2.97965 Brc1cnccc1CNCCC2CCCCCC2 270004a_100011532351_100000755692 [0,1,0,0,0,1|2,0,0]=4 11337 B19R2.97965 Brc1ncccc1CNCCC2CCCCCC2 2230a_100011532351_100010140945 [0,1,0,0,0,1|2,0,0]=4 11338 B19R2.97965 Brc1ncccc1CNCCC2CCCCCC2 34a_100011532351_100010140945 [0,1,0,0,0,1|2,0,0]=4 11339 B19R2.97965 Cc1ccccc1C#CCOC2CCCCCC2 34a_200011352491_100011217769 [0,1,0,0,0,1|1,0,1]=4 11340 B19R2.97965 Cc1ccccc1CCNCC2CCCCCC2 2230a_100000685071_200000696569 [0,1,0,0,0,1|0,0,0]=2 11341 B19R2.97965 Cc1ccccc1CCNCC2CCCCCC2 2230a_100015204231_100011713688 [0,1,0,0,0,1|0,0,0]=2 11342 B19R2.97965 Cc1ccccc1CCNCC2CCCCCC2 269862a_100000685071_200000763224 [0,1,0,0,0,1|0,0,0]=2 11343 B19R2.97965 Cc1ccccc1CCNCC2CCCCCC2 34a_100000685071_200000696569 [0,1,0,0,0,1|0,0,0]=2 11344 B19R2.97965 Cc1ccccc1CCNCC2CCCCCC2 34a_100015204231_100011713688 [0,1,0,0,0,1|0,0,0]=2 11345 B19R2.97965 Cc1ccccc1CCOCC2CCCCCC2 34a_100000699130_100011713688 [0,1,0,0,0,1|1,0,0]=3 11346 B19R2.97965 Cc1ccccc1CCOCC2CCCCCC2 34a_100011220023_200000696569 [0,1,0,0,0,1|1,0,0]=3 11347 B19R2.97965 Cc1ccccc1CCOCC2CCCCCC2 7a_100000699130_100011713688 [0,1,0,0,0,1|1,0,0]=3 11348 B19R2.97965 Cc1ccccc1CCOCC2CCCCCC2 7a_100011220023_200000696569 [0,1,0,0,0,1|1,0,0]=3 11349 B19R2.97965 Cc1ccccc1CCSCC2CCCCCC2 62a_100011713688_200000696569 [0,1,0,0,0,1|1,0,0]=3 11350 B19R2.97965 Cc1ccccc1CCSCC2CCCCCC2 62a_200000696569_100011713688 [0,1,0,0,0,1|1,0,0]=3 11351 B19R2.97965 Cc1ccccc1CNCCC2CCCCCC2 207a_100011532351_100000211143 [0,1,0,0,0,1|1,0,0]=3 11352 B19R2.97965 Cc1ccccc1CNCCC2CCCCCC2 2230a_100011532351_100000211839 [0,1,0,0,0,1|1,0,0]=3 11353 B19R2.97965 Cc1ccccc1CNCCC2CCCCCC2 270004a_100011532351_100000211143 [0,1,0,0,0,1|1,0,0]=3 11354 B19R2.97965 Cc1ccccc1CNCCC2CCCCCC2 34a_100011532351_100000211839 [0,1,0,0,0,1|1,0,0]=3 11355 B19R2.97965 Cc1ccccc1CNCCN2CCCCCC2 207a_100000738142_100000211143 [0,1,0,0,0,1|2,0,0]=4 11356 B19R2.97965 Cc1ccccc1CNCCN2CCCCCC2 270004a_100000738142_100000211143 [0,1,0,0,0,1|2,0,0]=4 11357 B19R2.97965 Cc1ccccc1CNN=CC2CCCCCC2 4a_100000737298_200000763224 [0,1,0,0,0,1|1,0,1]=4 11358 B19R2.97965 Cc1ccccc1COCCN2CCCCCC2 34a_100000238007_100000211839 [0,1,0,0,0,1|2,0,0]=4 11359 B19R2.97965 Cc1ccccc1COCCN2CCCCCC2 7a_100000698903_100000722644 [0,1,0,0,0,1|2,0,0]=4 11360 B19R2.97965 Cc1ccccc1CSCCN2CCCCCC2 62a_100000211839_100000722644 [0,1,0,0,0,1|2,0,0]=4 11361 B19R2.97965 Cc1ccccc1CSCCN2CCCCCC2 62a_100000722644_100000211839 [0,1,0,0,0,1|2,0,0]=4 11362 B19R2.97965 Cc1ccccc1NCCOC2CCCCCC2 34a_100011233185_100011217769 [0,1,0,0,0,1|1,0,0]=3 11363 B19R2.97965 Cc1ccccc1OCCCN2CCCCCC2 2230a_100000185865_100000742659 [0,1,0,0,0,1|2,0,0]=4 11364 B19R2.97965 Cc1ccccc1OCCCN2CCCCCC2 269982a_100000185865_100000742659 [0,1,0,0,0,1|2,0,0]=4 11365 B19R2.97965 Cc1ccccc1OCCCN2CCCCCC2 34a_100000185865_100000742659 [0,1,0,0,0,1|2,0,0]=4 11366 B19R2.97965 Cc1ccccc1OCCNC2CCCCCC2 2230a_100000210984_100000184434 [0,1,0,0,0,1|0,0,0]=2 11367 B19R2.97965 Cc1ccccc1OCCNC2CCCCCC2 270004a_100000743344_100000210131 [0,1,0,0,0,1|0,0,0]=2 11368 B19R2.97965 Cc1ccccc1OCCNC2CCCCCC2 34a_100000210984_100000184434 [0,1,0,0,0,1|0,0,0]=2 11369 B19R2.97965 Cc1ccccc1OCCNC2CCCCCC2 34a_100000743344_100011217769 [0,1,0,0,0,1|0,0,0]=2 11370 B19R2.97965 Cc1ccccc1OCCNC2CCCNCC2 270004a_100000743344_100015187895 [0,1,0,0,0,1|1,0,0]=3 11371 B19R2.97965 Cc1ccccc1OCCNC2CSCCSC2 270004a_100000743344_100000068409 [0,1,0,0,0,1|2,0,0]=4 11372 B19R2.97965 Cc1ccccc1OCCOC2CCCCCC2 34a_100000210887_100000184434 [0,1,0,0,0,1|1,0,0]=3 11373 B19R2.97965 Cc1ccccc1OCCOC2CCCCCC2 7a_100000210887_100000184434 [0,1,0,0,0,1|1,0,0]=3 11374 B19R2.97965 Cc1ccccc1OCCSC2CCCCCC2 62a_100000184434_100011217769 [0,1,0,0,0,1|1,0,0]=3 11375 B19R2.97965 Cc1ccccc1OCCSC2CCCCCC2 62a_100011217769_100000184434 [0,1,0,0,0,1|1,0,0]=3 11376 B19R2.97965 Cc1cccnc1CCOCC2CCCCCC2 34a_100011997706_200000696569 [0,1,0,0,0,1|2,0,0]=4 11377 B19R2.97965 Cc1cccnc1CCOCC2CCCCCC2 7a_100011997706_200000696569 [0,1,0,0,0,1|2,0,0]=4 11378 B19R2.97965 Cc1cccnc1CNCCC2CCCCCC2 207a_100011532351_100000698913 [0,1,0,0,0,1|2,0,0]=4 11379 B19R2.97965 Cc1cccnc1CNCCC2CCCCCC2 2230a_100011532351_100000696600 [0,1,0,0,0,1|2,0,0]=4 11380 B19R2.97965 Cc1cccnc1CNCCC2CCCCCC2 270004a_100011532351_100000698913 [0,1,0,0,0,1|2,0,0]=4 11381 B19R2.97965 Cc1cccnc1CNCCC2CCCCCC2 34a_100011532351_100000696600 [0,1,0,0,0,1|2,0,0]=4 11382 B19R2.97965 Cc1ccncc1CNCCC2CCCCCC2 207a_100011532351_100000685662 [0,1,0,0,0,1|2,0,0]=4 11383 B19R2.97965 Cc1ccncc1CNCCC2CCCCCC2 2230a_100011532351_100000690890 [0,1,0,0,0,1|2,0,0]=4 11384 B19R2.97965 Cc1ccncc1CNCCC2CCCCCC2 270004a_100011532351_100000685662 [0,1,0,0,0,1|2,0,0]=4 11385 B19R2.97965 Cc1ccncc1CNCCC2CCCCCC2 34a_100011532351_100000690890 [0,1,0,0,0,1|2,0,0]=4 11386 B19R2.97965 Cc1cnccc1CNCCC2CCCCCC2 2230a_100011532351_100020672808 [0,1,0,0,0,1|2,0,0]=4 11387 B19R2.97965 Cc1cnccc1CNCCC2CCCCCC2 34a_100011532351_100020672809 [0,1,0,0,0,1|2,0,0]=4 11388 B19R2.97965 Cc1ncccc1CNCCC2CCCCCC2 207a_100011532351_100000751968 [0,1,0,0,0,1|2,0,0]=4 11389 B19R2.97965 Cc1ncccc1CNCCC2CCCCCC2 2230a_100011532351_100000732876 [0,1,0,0,0,1|2,0,0]=4 11390 B19R2.97965 Cc1ncccc1CNCCC2CCCCCC2 270004a_100011532351_100000751968 [0,1,0,0,0,1|2,0,0]=4 11391 B19R2.97965 Cc1ncccc1CNCCC2CCCCCC2 34a_100011532351_100000732876 [0,1,0,0,0,1|2,0,0]=4 11392 B19R2.97965 Clc1ccccc1C#CCOC2CCCCCC2 34a_100011219350_100011217769 [0,1,0,0,0,1|1,0,1]=4 11393 B19R2.97965 Clc1ccccc1C=CCNC2CCCCCC2 270004a_100000210984_200102525841 [0,1,0,0,0,1|0,0,1]=3 11394 B19R2.97965 Clc1ccccc1CCCOC2CCCCCC2 34a_100011709251_100011217769 [0,1,0,0,0,1|1,0,0]=3 11395 B19R2.97965 Clc1ccccc1CCNCC2CCCCCC2 2230a_100011207228_200000696569 [0,1,0,0,0,1|0,0,0]=2 11396 B19R2.97965 Clc1ccccc1CCNCC2CCCCCC2 2230a_100015204231_100011713703 [0,1,0,0,0,1|0,0,0]=2 11397 B19R2.97965 Clc1ccccc1CCNCC2CCCCCC2 269862a_100011207228_200000763224 [0,1,0,0,0,1|0,0,0]=2 11398 B19R2.97965 Clc1ccccc1CCNCC2CCCCCC2 270004a_100015204231_200011713468 [0,1,0,0,0,1|0,0,0]=2 11399 B19R2.97965 Clc1ccccc1CCNCC2CCCCCC2 34a_100011207228_200000696569 [0,1,0,0,0,1|0,0,0]=2 11400 B19R2.97965 Clc1ccccc1CCNCC2CCCCCC2 34a_100015204231_100011713703 [0,1,0,0,0,1|0,0,0]=2 11401 B19R2.97965 Clc1ccccc1CCOCC2CCCCCC2 34a_100000699130_100011713703 [0,1,0,0,0,1|1,0,0]=3 11402 B19R2.97965 Clc1ccccc1CCOCC2CCCCCC2 34a_100011215284_200000696569 [0,1,0,0,0,1|1,0,0]=3 11403 B19R2.97965 Clc1ccccc1CCOCC2CCCCCC2 7a_100000699130_100011713703 [0,1,0,0,0,1|1,0,0]=3 11404 B19R2.97965 Clc1ccccc1CCOCC2CCCCCC2 7a_100011215284_200000696569 [0,1,0,0,0,1|1,0,0]=3 11405 B19R2.97965 Clc1ccccc1CCSCC2CCCCCC2 62a_100011713703_200000696569 [0,1,0,0,0,1|1,0,0]=3 11406 B19R2.97965 Clc1ccccc1CCSCC2CCCCCC2 62a_200000696569_100011713703 [0,1,0,0,0,1|1,0,0]=3 11407 B19R2.97965 Clc1ccccc1CNCCC2CCCCCC2 207a_100011532351_100000210073 [0,1,0,0,0,1|1,0,0]=3 11408 B19R2.97965 Clc1ccccc1CNCCC2CCCCCC2 2230a_100011532351_100000187162 [0,1,0,0,0,1|1,0,0]=3 11409 B19R2.97965 Clc1ccccc1CNCCC2CCCCCC2 270004a_100011532351_100000210073 [0,1,0,0,0,1|1,0,0]=3 11410 B19R2.97965 Clc1ccccc1CNCCC2CCCCCC2 34a_100011532351_100000187162 [0,1,0,0,0,1|1,0,0]=3 11411 B19R2.97965 Clc1ccccc1CNCCN2CCCCCC2 207a_100000738142_100000210073 [0,1,0,0,0,1|2,0,0]=4 11412 B19R2.97965 Clc1ccccc1CNCCN2CCCCCC2 270004a_100000738142_100000210073 [0,1,0,0,0,1|2,0,0]=4 11413 B19R2.97965 Clc1ccccc1CNN=CC2CCCCCC2 4a_100015187261_200000763224 [0,1,0,0,0,1|1,0,1]=4 11414 B19R2.97965 Clc1ccccc1COCCN2CCCCCC2 34a_100000238007_100000187162 [0,1,0,0,0,1|2,0,0]=4 11415 B19R2.97965 Clc1ccccc1COCCN2CCCCCC2 7a_100000210847_100000722644 [0,1,0,0,0,1|2,0,0]=4 11416 B19R2.97965 Clc1ccccc1CSCCN2CCCCCC2 62a_100000187162_100000722644 [0,1,0,0,0,1|2,0,0]=4 11417 B19R2.97965 Clc1ccccc1CSCCN2CCCCCC2 62a_100000722644_100000187162 [0,1,0,0,0,1|2,0,0]=4 11418 B19R2.97965 Clc1ccccc1OCCNC2CCCCCC2 270004a_100000174932_100000210131 [0,1,0,0,0,1|0,0,0]=2 11419 B19R2.97965 Clc1ccccc1OCCNC2CCCCCC2 34a_100000174932_100011217769 [0,1,0,0,0,1|0,0,0]=2 11420 B19R2.97965 Clc1ccccc1OCCNC2CCCNCC2 270004a_100000174932_100015187895 [0,1,0,0,0,1|1,0,0]=3 11421 B19R2.97965 Clc1ccccc1OCCNC2CSCCSC2 270004a_100000174932_100000068409 [0,1,0,0,0,1|2,0,0]=4 11422 B19R2.97965 Clc1ccccc1OCCOC2CCCCCC2 34a_200000230518_100011217769 [0,1,0,0,0,1|1,0,0]=3 11423 B19R2.97965 Clc1ccccc1SCCCN2CCCCCC2 2230a_100000185865_100000750589 [0,1,0,0,0,1|2,0,0]=4 11424 B19R2.97965 Clc1ccccc1SCCCN2CCCCCC2 269982a_100000185865_100000750589 [0,1,0,0,0,1|2,0,0]=4 11425 B19R2.97965 Clc1ccccc1SCCCN2CCCCCC2 34a_100000185865_100000750589 [0,1,0,0,0,1|2,0,0]=4 11426 B19R2.97965 Clc1ccccc1SCCOC2CCCCCC2 34a_200000230572_100011217769 [0,1,0,0,0,1|1,0,0]=3 11427 B19R2.97965 Clc1cccnc1CNCCC2CCCCCC2 207a_100011532351_100012001307 [0,1,0,0,0,1|2,0,0]=4 11428 B19R2.97965 Clc1cccnc1CNCCC2CCCCCC2 2230a_100011532351_100000099807 [0,1,0,0,0,1|2,0,0]=4 11429 B19R2.97965 Clc1cccnc1CNCCC2CCCCCC2 270004a_100011532351_100012001307 [0,1,0,0,0,1|2,0,0]=4 11430 B19R2.97965 Clc1ccncc1CNCCC2CCCCCC2 270004a_100011532351_100000050567 [0,1,0,0,0,1|2,0,0]=4 11431 B19R2.97965 Clc1cnccc1CNCCC2CCCCCC2 207a_100011532351_100011934409 [0,1,0,0,0,1|2,0,0]=4 11432 B19R2.97965 Clc1cnccc1CNCCC2CCCCCC2 2230a_100011532351_100000763264 [0,1,0,0,0,1|2,0,0]=4 11433 B19R2.97965 Clc1cnccc1CNCCC2CCCCCC2 270004a_100011532351_100011934409 [0,1,0,0,0,1|2,0,0]=4 11434 B19R2.97965 Clc1ncccc1CNCCC2CCCCCC2 2230a_100011532351_100000045678 [0,1,0,0,0,1|2,0,0]=4 11435 B19R2.97965 Clc1ncccc1CNCCC2CCCCCC2 34a_100011532351_100000045678 [0,1,0,0,0,1|2,0,0]=4 11436 B19R2.97965 Fc1ccccc1C#CCNC2CCCCCC2 2230a_100000210984_100010404167 [0,1,0,0,0,1|0,0,1]=3 11437 B19R2.97965 Fc1ccccc1C#CCNC2CCCCCC2 34a_100000210984_100010404167 [0,1,0,0,0,1|0,0,1]=3 11438 B19R2.97965 Fc1ccccc1C#CCOC2CCCCCC2 34a_100000210887_100010404167 [0,1,0,0,0,1|1,0,1]=4 11439 B19R2.97965 Fc1ccccc1C#CCOC2CCCCCC2 34a_100011219114_100011217769 [0,1,0,0,0,1|1,0,1]=4 11440 B19R2.97965 Fc1ccccc1C#CCOC2CCCCCC2 7a_100000210887_100010404167 [0,1,0,0,0,1|1,0,1]=4 11441 B19R2.97965 Fc1ccccc1C#CCSC2CCCCCC2 62a_100010404167_100011217769 [0,1,0,0,0,1|1,0,1]=4 11442 B19R2.97965 Fc1ccccc1C#CCSC2CCCCCC2 62a_100011217769_100010404167 [0,1,0,0,0,1|1,0,1]=4 11443 B19R2.97965 Fc1ccccc1C=CCNC2CCCCCC2 270004a_100000210984_200102525844 [0,1,0,0,0,1|0,0,1]=3 11444 B19R2.97965 Fc1ccccc1CCCNC2CCCCCC2 270004a_100000724733_100000210131 [0,1,0,0,0,1|0,0,0]=2 11445 B19R2.97965 Fc1ccccc1CCCNC2CCCCCC2 34a_100000724733_100011217769 [0,1,0,0,0,1|0,0,0]=2 11446 B19R2.97965 Fc1ccccc1CCCNC2CCCNCC2 270004a_100000724733_100015187895 [0,1,0,0,0,1|1,0,0]=3 11447 B19R2.97965 Fc1ccccc1CCCNC2CSCCSC2 270004a_100000724733_100000068409 [0,1,0,0,0,1|2,0,0]=4 11448 B19R2.97965 Fc1ccccc1CCCOC2CCCCCC2 34a_100011709249_100011217769 [0,1,0,0,0,1|1,0,0]=3 11449 B19R2.97965 Fc1ccccc1CCNCC2CCCCCC2 2230a_100000185272_200000696569 [0,1,0,0,0,1|0,0,0]=2 11450 B19R2.97965 Fc1ccccc1CCNCC2CCCCCC2 2230a_100015204231_100011713696 [0,1,0,0,0,1|0,0,0]=2 11451 B19R2.97965 Fc1ccccc1CCNCC2CCCCCC2 269862a_100000185272_200000763224 [0,1,0,0,0,1|0,0,0]=2 11452 B19R2.97965 Fc1ccccc1CCNCC2CCCCCC2 34a_100000185272_200000696569 [0,1,0,0,0,1|0,0,0]=2 11453 B19R2.97965 Fc1ccccc1CCNCC2CCCCCC2 34a_100015204231_100000720011 [0,1,0,0,0,1|0,0,0]=2 11454 B19R2.97965 Fc1ccccc1CCOCC2CCCCCC2 34a_100000699130_100000720011 [0,1,0,0,0,1|1,0,0]=3 11455 B19R2.97965 Fc1ccccc1CCOCC2CCCCCC2 34a_100000753711_200000696569 [0,1,0,0,0,1|1,0,0]=3 11456 B19R2.97965 Fc1ccccc1CCOCC2CCCCCC2 7a_100000699130_100000720011 [0,1,0,0,0,1|1,0,0]=3 11457 B19R2.97965 Fc1ccccc1CCOCC2CCCCCC2 7a_100000753711_200000696569 [0,1,0,0,0,1|1,0,0]=3 11458 B19R2.97965 Fc1ccccc1CCSCC2CCCCCC2 62a_100011713696_200000696569 [0,1,0,0,0,1|1,0,0]=3 11459 B19R2.97965 Fc1ccccc1CCSCC2CCCCCC2 62a_200000696569_100011713696 [0,1,0,0,0,1|1,0,0]=3 11460 B19R2.97965 Fc1ccccc1CNCCC2CCCCCC2 207a_100011532351_100000210811 [0,1,0,0,0,1|1,0,0]=3 11461 B19R2.97965 Fc1ccccc1CNCCC2CCCCCC2 2230a_100011532351_100000211605 [0,1,0,0,0,1|1,0,0]=3 11462 B19R2.97965 Fc1ccccc1CNCCC2CCCCCC2 270004a_100011532351_100000210811 [0,1,0,0,0,1|1,0,0]=3 11463 B19R2.97965 Fc1ccccc1CNCCC2CCCCCC2 34a_100011532351_100000211605 [0,1,0,0,0,1|1,0,0]=3 11464 B19R2.97965 Fc1ccccc1CNCCN2CCCCCC2 207a_100000738142_100000210811 [0,1,0,0,0,1|2,0,0]=4 11465 B19R2.97965 Fc1ccccc1CNCCN2CCCCCC2 270004a_100000738142_100000210811 [0,1,0,0,0,1|2,0,0]=4 11466 B19R2.97965 Fc1ccccc1CNN=CC2CCCCCC2 4a_100015200773_200000763224 [0,1,0,0,0,1|1,0,1]=4 11467 B19R2.97965 Fc1ccccc1COCCN2CCCCCC2 34a_100000238007_100000211605 [0,1,0,0,0,1|2,0,0]=4 11468 B19R2.97965 Fc1ccccc1COCCN2CCCCCC2 7a_100000211962_100000722644 [0,1,0,0,0,1|2,0,0]=4 11469 B19R2.97965 Fc1ccccc1CSCCN2CCCCCC2 62a_100000211605_100000722644 [0,1,0,0,0,1|2,0,0]=4 11470 B19R2.97965 Fc1ccccc1CSCCN2CCCCCC2 62a_100000722644_100000211605 [0,1,0,0,0,1|2,0,0]=4 11471 B19R2.97965 Fc1ccccc1OCCCN2CCCCCC2 2230a_100000185865_100011203253 [0,1,0,0,0,1|2,0,0]=4 11472 B19R2.97965 Fc1ccccc1OCCCN2CCCCCC2 269982a_100000185865_100011203253 [0,1,0,0,0,1|2,0,0]=4 11473 B19R2.97965 Fc1ccccc1OCCCN2CCCCCC2 34a_100000185865_100011203253 [0,1,0,0,0,1|2,0,0]=4 11474 B19R2.97965 Fc1ccccc1OCCNC2CCCCCC2 2230a_100000210984_100000183290 [0,1,0,0,0,1|0,0,0]=2 11475 B19R2.97965 Fc1ccccc1OCCNC2CCCCCC2 270004a_100000683764_100000210131 [0,1,0,0,0,1|0,0,0]=2 11476 B19R2.97965 Fc1ccccc1OCCNC2CCCCCC2 34a_100000210984_100000183290 [0,1,0,0,0,1|0,0,0]=2 11477 B19R2.97965 Fc1ccccc1OCCNC2CCCCCC2 34a_100000683764_100011217769 [0,1,0,0,0,1|0,0,0]=2 11478 B19R2.97965 Fc1ccccc1OCCNC2CCCNCC2 270004a_100000683764_100015187895 [0,1,0,0,0,1|1,0,0]=3 11479 B19R2.97965 Fc1ccccc1OCCNC2CSCCSC2 270004a_100000683764_100000068409 [0,1,0,0,0,1|2,0,0]=4 11480 B19R2.97965 Fc1ccccc1OCCOC2CCCCCC2 34a_100000210887_100000183290 [0,1,0,0,0,1|1,0,0]=3 11481 B19R2.97965 Fc1ccccc1OCCOC2CCCCCC2 34a_100000756447_100011217769 [0,1,0,0,0,1|1,0,0]=3 11482 B19R2.97965 Fc1ccccc1OCCOC2CCCCCC2 7a_100000210887_100000183290 [0,1,0,0,0,1|1,0,0]=3 11483 B19R2.97965 Fc1ccccc1OCCSC2CCCCCC2 62a_100000183290_100011217769 [0,1,0,0,0,1|1,0,0]=3 11484 B19R2.97965 Fc1ccccc1OCCSC2CCCCCC2 62a_100011217769_100000183290 [0,1,0,0,0,1|1,0,0]=3 11485 B19R2.97965 Fc1ccccc1SCCOC2CCCCCC2 34a_200000230732_100011217769 [0,1,0,0,0,1|1,0,0]=3 11486 B19R2.97965 Fc1cccnc1CNCCC2CCCCCC2 207a_100011532351_100011934734 [0,1,0,0,0,1|2,0,0]=4 11487 B19R2.97965 Fc1cccnc1CNCCC2CCCCCC2 2230a_100011532351_100000104219 [0,1,0,0,0,1|2,0,0]=4 11488 B19R2.97965 Fc1cccnc1CNCCC2CCCCCC2 270004a_100011532351_100011934734 [0,1,0,0,0,1|2,0,0]=4 11489 B19R2.97965 Fc1cccnc1CNCCC2CCCCCC2 34a_100011532351_100000104219 [0,1,0,0,0,1|2,0,0]=4 11490 B19R2.97965 Fc1ncccc1CNCCC2CCCCCC2 2230a_100011532351_100000099810 [0,1,0,0,0,1|2,0,0]=4 11491 B19R2.97965 Fc1ncccc1CNCCC2CCCCCC2 34a_100011532351_100000099810 [0,1,0,0,0,1|2,0,0]=4 11492 B19R2.97965 Ic1ccccc1CCOCC2CCCCCC2 34a_100010255290_200000696569 [0,1,0,0,0,1|1,0,0]=3 11493 B19R2.97965 Ic1ccccc1CCOCC2CCCCCC2 7a_100010255290_200000696569 [0,1,0,0,0,1|1,0,0]=3 11494 B19R2.97965 Ic1ccccc1CNCCC2CCCCCC2 207a_100011532351_100000010305 [0,1,0,0,0,1|1,0,0]=3 11495 B19R2.97965 Ic1ccccc1CNCCC2CCCCCC2 2230a_100011532351_100011215278 [0,1,0,0,0,1|1,0,0]=3 11496 B19R2.97965 Ic1ccccc1CNCCC2CCCCCC2 270004a_100011532351_100000010305 [0,1,0,0,0,1|1,0,0]=3 11497 B19R2.97965 Ic1ccccc1CNCCC2CCCCCC2 34a_100011532351_100011215278 [0,1,0,0,0,1|1,0,0]=3 11498 B19R2.97965 Ic1ccccc1CNCCN2CCCCCC2 207a_100000738142_100000010305 [0,1,0,0,0,1|2,0,0]=4 11499 B19R2.97965 Ic1ccccc1CNCCN2CCCCCC2 270004a_100000738142_100000010305 [0,1,0,0,0,1|2,0,0]=4 11500 B19R2.97965 Ic1ccccc1COCCN2CCCCCC2 34a_100000238007_100011215278 [0,1,0,0,0,1|2,0,0]=4 11501 B19R2.97965 Ic1ccccc1COCCN2CCCCCC2 7a_100000187465_100000722644 [0,1,0,0,0,1|2,0,0]=4 11502 B19R2.97965 Ic1ccccc1CSCCN2CCCCCC2 62a_100000722644_100011216222 [0,1,0,0,0,1|2,0,0]=4 11503 B19R2.97965 Ic1ccccc1CSCCN2CCCCCC2 62a_100011216222_100000722644 [0,1,0,0,0,1|2,0,0]=4 11504 B19R2.97965 Nc1ccccc1CCOCC2CCCCCC2 34a_100011215289_200000696569 [0,1,0,0,0,1|1,0,0]=3 11505 B19R2.97965 Nc1ccccc1NCCOC2CCCCCC2 34a_100000683943_100011217769 [0,1,0,0,0,1|1,0,0]=3 11506 B19R2.97965 Nc1ccccc1OCCOC2CCCCCC2 34a_100132302172_100011217769 [0,1,0,0,0,1|1,0,0]=3 11507 B19R2.97965 O=c1ccccn1CCNCC2CCCCCC2 2230a_100000687133_200000696569 [0,1,0,0,0,1|1,0,0]=3 11508 B19R2.97965 O=c1ccccn1CCNCC2CCCCCC2 269862a_100000687133_200000763224 [0,1,0,0,0,1|1,0,0]=3 11509 B19R2.97965 Oc1ccccc1CCNCC2CCCCCC2 269862a_100011207237_200000763224 [0,1,0,0,0,1|0,0,0]=2 11510 B19R2.97965 Oc1ccccc1CCNCC2CCCCCC2 34a_100011207237_200000696569 [0,1,0,0,0,1|0,0,0]=2 11511 B19R2.97965 Oc1ccccc1CCNCC2CCCCCC2 34a_100015204231_100000722297 [0,1,0,0,0,1|0,0,0]=2 11512 B19R2.97965 Oc1ccccc1CCOCC2CCCCCC2 34a_100000699130_100000722297 [0,1,0,0,0,1|1,0,0]=3 11513 B19R2.97965 Oc1ccccc1CCOCC2CCCCCC2 7a_100000699130_100000722297 [0,1,0,0,0,1|1,0,0]=3 11514 B19R2.97965 Oc1ccccc1CCSCC2CCCCCC2 62a_100000722297_200000696569 [0,1,0,0,0,1|1,0,0]=3 11515 B19R2.97965 Oc1ccccc1CCSCC2CCCCCC2 62a_200000696569_100000722297 [0,1,0,0,0,1|1,0,0]=3 11516 B19R2.97965 Oc1cccnc1CNCCC2CCCCCC2 34a_100011532351_200020655725 [0,1,0,0,0,1|2,0,0]=4 11517 B19R2.97965 Oc1ncccc1CNCCC2CCCCCC2 207a_100011532351_100011998315 [0,1,0,0,0,1|2,0,0]=4 11518 B19R2.97965 Oc1ncccc1CNCCC2CCCCCC2 270004a_100011532351_100011998315 [0,1,0,0,0,1|2,0,0]=4 11519 B19R2.113743 CC(CCNC1CCCCCC1)c2ccccc2 270004a_100000210984_100000189432 [0,1,0,0,0,1|0,0,0]=2 11520 B19R2.113743 CC(CNCC1CCCCCC1)c2ccccc2 2230a_100000701038_200000696569 [0,1,0,0,0,1|0,0,0]=2 11521 B19R2.113743 CC(CNCC1CCCCCC1)c2ccccc2 2230a_100015204231_100000756946 [0,1,0,0,0,1|0,0,0]=2 11522 B19R2.113743 CC(CNCC1CCCCCC1)c2ccccc2 269862a_100000701038_200000763224 [0,1,0,0,0,1|0,0,0]=2 11523 B19R2.113743 CC(CNCC1CCCCCC1)c2ccccc2 270004a_100015204231_100000212034 [0,1,0,0,0,1|0,0,0]=2 11524 B19R2.113743 CC(CNCC1CCCCCC1)c2ccccc2 34a_100000701038_200000696569 [0,1,0,0,0,1|0,0,0]=2 11525 B19R2.113743 CC(CNCC1CCCCCC1)c2ccccc2 34a_100015204231_100000756946 [0,1,0,0,0,1|0,0,0]=2 11526 B19R2.113743 CC(COCC1CCCCCC1)c2ccccc2 34a_100000699130_100000756946 [0,1,0,0,0,1|1,0,0]=3 11527 B19R2.113743 CC(COCC1CCCCCC1)c2ccccc2 34a_100011215166_200000696569 [0,1,0,0,0,1|1,0,0]=3 11528 B19R2.113743 CC(COCC1CCCCCC1)c2ccccc2 7a_100000699130_100000756946 [0,1,0,0,0,1|1,0,0]=3 11529 B19R2.113743 CC(COCC1CCCCCC1)c2ccccc2 7a_100011215166_200000696569 [0,1,0,0,0,1|1,0,0]=3 11530 B19R2.113743 CC(CSCC1CCCCCC1)c2ccccc2 62a_100000756946_200000696569 [0,1,0,0,0,1|1,0,0]=3 11531 B19R2.113743 CC(CSCC1CCCCCC1)c2ccccc2 62a_200000696569_100000756946 [0,1,0,0,0,1|1,0,0]=3 11532 B19R2.113743 CC(NCCC1CCCCCC1)c2ccccc2 2230a_100011532351_100000230085 [0,1,0,0,0,1|1,0,0]=3 11533 B19R2.113743 CC(NCCC1CCCCCC1)c2ccccc2 269862a_100011532351_100000185851 [0,1,0,0,0,1|1,0,0]=3 11534 B19R2.113743 CC(NCCC1CCCCCC1)c2ccccc2 34a_100011532351_100000211855 [0,1,0,0,0,1|1,0,0]=3 11535 B19R2.113743 CC(NCCC1CCCCCC1)c2ccccn2 269862a_100011532351_100000210467 [0,1,0,0,0,1|2,0,0]=4 11536 B19R2.113743 CC(NCCC1CCCCCC1)c2cccnc2 269862a_100011532351_100000210468 [0,1,0,0,0,1|2,0,0]=4 11537 B19R2.113743 CC(NCCC1CCCCCC1)c2ccncc2 269862a_100011532351_100000185792 [0,1,0,0,0,1|2,0,0]=4 11538 B19R2.113743 CC(NCCN1CCCCCC1)c2ccccc2 269862a_100000738142_100000185851 [0,1,0,0,0,1|2,0,0]=4 11539 B19R2.113743 CC(OCCN1CCCCCC1)c2ccccc2 34a_100000238007_100000211855 [0,1,0,0,0,1|2,0,0]=4 11540 B19R2.113743 CC(SCCN1CCCCCC1)c2ccccc2 62a_100000230085_100000722644 [0,1,0,0,0,1|2,0,0]=4 11541 B19R2.113743 CC(SCCN1CCCCCC1)c2ccccc2 62a_100000722644_100000230085 [0,1,0,0,0,1|2,0,0]=4 11542 B19R2.113743 CN(CCNC1CCCCCC1)c2ccccc2 270004a_100000231046_100000210131 [0,1,0,0,0,1|0,0,0]=2 11543 B19R2.113743 CN(CCNC1CCCNCC1)c2ccccc2 270004a_100000231046_100015187895 [0,1,0,0,0,1|1,0,0]=3 11544 B19R2.113743 CN(CCNC1CSCCSC1)c2ccccc2 270004a_100000231046_100000068409 [0,1,0,0,0,1|2,0,0]=4 11545 B19R2.113743 C[C@@H](OCCN1CCCCCC1)c2ccccc2 7a_100000761318_100000722644 [0,1,0,0,0,1|2,0,0]=4 11546 B19R2.113743 N[C@@H](CCOC1CCCCCC1)c2ccccc2 34a_100025705951_100011217769 [0,1,0,0,0,1|1,0,0]=3 11547 B19R2.113743 N[C@H](COCC1CCCCCC1)c2ccccc2 34a_100000751927_200000696569 [0,1,0,0,0,1|1,0,0]=3 11548 B19R2.113743 N[C@H](COCC1CCCCCC1)c2ccncc2 34a_100138412524_200000696569 [0,1,0,0,0,1|2,0,0]=4 11549 B19R2.113743 O=C(CCCN1CCCCCC1)c2ccccc2 2230a_100000185865_100000211006 [0,1,0,0,0,1|2,0,0]=4 11550 B19R2.113743 O=C(CCCN1CCCCCC1)c2ccccc2 269982a_100000185865_100000211006 [0,1,0,0,0,1|2,0,0]=4 11551 B19R2.113743 O=C(CCNC1CCCCCC1)c2ccccc2 2230a_100000210984_100000750707 [0,1,0,0,0,1|0,0,0]=2 11552 B19R2.113743 O=C(CCOC1CCCCCC1)c2ccccc2 7a_100000210887_100000750707 [0,1,0,0,0,1|1,0,0]=3 11553 B19R2.113743 O=C(CCSC1CCCCCC1)c2ccccc2 62a_100000750707_100011217769 [0,1,0,0,0,1|1,0,0]=3 11554 B19R2.113743 O=C(CCSC1CCCCCC1)c2ccccc2 62a_100011217769_100000750707 [0,1,0,0,0,1|1,0,0]=3 11555 B19R2.113743 O=C(CNCC1CCCCCC1)c2ccccn2 34a_100015204231_100000027445 [0,1,0,0,0,1|1,0,1]=4 11556 B19R2.113743 O=C(COCC1CCCCCC1)c2ccccc2 7a_100000699130_100000211460 [0,1,0,0,0,1|1,0,1]=4 11557 B19R2.113743 O=C(CSCC1CCCCCC1)c2ccccc2 62a_100000211460_200000696569 [0,1,0,0,0,1|1,0,1]=4 11558 B19R2.113743 O=C(CSCC1CCCCCC1)c2ccccc2 62a_200000696569_100000211460 [0,1,0,0,0,1|1,0,1]=4 11559 B19R2.113743 O=C(NCCC1CCCCCC1)c2ccccc2 11a_100011532351_100000185807 [0,1,0,0,0,1|1,0,1]=4 11560 B19R2.113743 O=C(NCCC1CCCCCC1)c2ccccc2 1626a_100011532351_100000185807 [0,1,0,0,0,1|1,0,1]=4 11561 B19R2.113743 O=C(NCCC1CCCCCC1)c2ccccc2 240690a_100011532351_100000185807 [0,1,0,0,0,1|1,0,1]=4 11562 B19R2.113743 O=C(NCCC1CCCCCC1)c2ccccc2 527a_100011532351_100000185807 [0,1,0,0,0,1|1,0,1]=4 11563 B19R2.113743 O=C(OCOC1CCCCCC1)c2ccccc2 7a_100000210887_100000073877 [0,1,0,0,0,1|1,0,1]=4 11564 B19R2.113743 O=C(OCSC1CCCCCC1)c2ccccc2 62a_100000073877_100011217769 [0,1,0,0,0,1|1,0,1]=4 11565 B19R2.113743 O=C(OCSC1CCCCCC1)c2ccccc2 62a_100011217769_100000073877 [0,1,0,0,0,1|1,0,1]=4 11566 B19R2.113743 O=S(CCNC1CCCCCC1)c2ccccc2 2230a_100000210984_100000740319 [0,1,0,0,0,1|0,0,0]=2 11567 B19R2.113743 O=S(CCOC1CCCCCC1)c2ccccc2 7a_100000210887_100000740319 [0,1,0,0,0,1|1,0,0]=3 11568 B19R2.113743 O=S(CCSC1CCCCCC1)c2ccccc2 62a_100011217769_100000740319 [0,1,0,0,0,1|1,0,0]=3 11569 B19R2.113743 O=S(CSCC1CCCCCC1)c2ccccc2 62a_200000696569_100000031784 [0,1,0,0,0,1|2,0,0]=4 11570 B19R2.113743 OC(CCNC1CCCCCC1)c2ccccc2 270004a_100000763605_100000210131 [0,1,0,0,0,1|0,0,0]=2 11571 B19R2.113743 OC(CCNC1CCCNCC1)c2ccccc2 270004a_100000763605_100015187895 [0,1,0,0,0,1|1,0,0]=3 11572 B19R2.113743 OC(CCNC1CSCCSC1)c2ccccc2 270004a_100000763605_100000068409 [0,1,0,0,0,1|2,0,0]=4 11573 B19R2.113743 OC(CNCC1CCCCCC1)c2ccccc2 2230a_100000210709_200000696569 [0,1,0,0,0,1|0,0,0]=2 11574 B19R2.113743 OC(CNCC1CCCCCC1)c2ccccc2 2230a_100015204231_100000185958 [0,1,0,0,0,1|0,0,0]=2 11575 B19R2.113743 OC(CNCC1CCCCCC1)c2ccccc2 269862a_100000210709_200000763224 [0,1,0,0,0,1|0,0,0]=2 11576 B19R2.113743 OC(CNCC1CCCCCC1)c2ccccc2 34a_100015204231_100000185958 [0,1,0,0,0,1|0,0,0]=2 11577 B19R2.113743 OC(CNCC1CCCCCC1)c2ccccn2 2230a_100000691469_200000696569 [0,1,0,0,0,1|1,0,0]=3 11578 B19R2.113743 OC(CNCC1CCCCCC1)c2ccccn2 269862a_100000691469_200000763224 [0,1,0,0,0,1|1,0,0]=3 11579 B19R2.113743 OC(CNCC1CCCCCC1)c2cccnc2 2230a_100020605170_200000696569 [0,1,0,0,0,1|1,0,0]=3 11580 B19R2.113743 OC(CNCC1CCCCCC1)c2cccnc2 269862a_100020605170_200000763224 [0,1,0,0,0,1|1,0,0]=3 11581 B19R2.113743 OC(COCC1CCCCCC1)c2ccccc2 34a_100000699130_100000185958 [0,1,0,0,0,1|1,0,0]=3 11582 B19R2.113743 OC(COCC1CCCCCC1)c2ccccc2 7a_100000699130_100000185958 [0,1,0,0,0,1|1,0,0]=3 11583 B19R2.113743 OC(CSCC1CCCCCC1)c2ccccc2 62a_100000185958_200000696569 [0,1,0,0,0,1|1,0,0]=3 11584 B19R2.113743 OC(CSCC1CCCCCC1)c2ccccc2 62a_200000696569_100000185958 [0,1,0,0,0,1|1,0,0]=3 11585 B19R2.113743 O[C@H](CCNC1CCCCCC1)c2ccccc2 2230a_100000210984_100000729684 [0,1,0,0,0,1|0,0,0]=2 11586 B19R2.113743 O[C@H](CCNC1CCCCCC1)c2ccccc2 34a_100000210984_100000729684 [0,1,0,0,0,1|0,0,0]=2 11587 B19R2.113743 O[C@H](CCOC1CCCCCC1)c2ccccc2 34a_100000210887_100000729684 [0,1,0,0,0,1|1,0,0]=3 11588 B19R2.113743 O[C@H](CCOC1CCCCCC1)c2ccccc2 7a_100000210887_100000729684 [0,1,0,0,0,1|1,0,0]=3 11589 B19R2.113743 O[C@H](CCSC1CCCCCC1)c2ccccc2 62a_100000729684_100011217769 [0,1,0,0,0,1|1,0,0]=3 11590 B19R2.113743 O[C@H](CCSC1CCCCCC1)c2ccccc2 62a_100011217769_100000729684 [0,1,0,0,0,1|1,0,0]=3 11591 B19R2.113743 O[C@H](CNCC1CCCCCC1)c2ccccc2 2230a_100015204231_100011933945 [0,1,0,0,0,1|0,0,0]=2 11592 B19R2.113743 O[C@H](CNCC1CCCCCC1)c2ccccc2 34a_100015204231_100011933945 [0,1,0,0,0,1|0,0,0]=2 11593 B19R2.113743 O[C@H](COCC1CCCCCC1)c2ccccc2 34a_100000699130_100011933945 [0,1,0,0,0,1|1,0,0]=3 11594 B19R2.113743 O[C@H](COCC1CCCCCC1)c2ccccc2 7a_100000699130_100011933945 [0,1,0,0,0,1|1,0,0]=3 11595 B19R2.113743 O[C@H](CSCC1CCCCCC1)c2ccccc2 62a_100011933945_200000696569 [0,1,0,0,0,1|1,0,0]=3 11596 B19R2.113743 O[C@H](CSCC1CCCCCC1)c2ccccc2 62a_200000696569_100011933945 [0,1,0,0,0,1|1,0,0]=3 11597 B19R2.114046 C/C(=C\c1ccccc1)/COC2CCCCCC2 34a_200025717232_100011217769 [0,1,0,0,0,1|1,0,1]=4 11598 B19R2.114046 CC(CNC1CCCCCC1)Oc2ccccc2 270004a_100000755676_100000210131 [0,1,0,0,0,1|0,0,0]=2 11599 B19R2.114046 CC(CNC1CCCCCC1)Oc2ccccc2 34a_100000755676_100011217769 [0,1,0,0,0,1|0,0,0]=2 11600 B19R2.114046 CC(CNC1CCCCCC1)Oc2cccnc2 270004a_200011219418_100000210131 [0,1,0,0,0,1|1,0,0]=3 11601 B19R2.114046 CC(CNC1CCCNCC1)Oc2ccccc2 270004a_100000755676_100015187895 [0,1,0,0,0,1|1,0,0]=3 11602 B19R2.114046 CC(CNC1CCCNCC1)Oc2cccnc2 270004a_200011219418_100015187895 [0,1,0,0,0,1|2,0,0]=4 11603 B19R2.114046 CC(CNC1CSCCSC1)Oc2ccccc2 270004a_100000755676_100000068409 [0,1,0,0,0,1|2,0,0]=4 11604 B19R2.114046 CC(COC1CCCCCC1)Cc2ccccc2 34a_100012125295_100011217769 [0,1,0,0,0,1|1,0,0]=3 11605 B19R2.114046 CC(COC1CCCCCC1)Oc2ccccc2 34a_200000036796_100011217769 [0,1,0,0,0,1|1,0,0]=3 11606 B19R2.114046 CC(C[n+]1ccccc1)NCC2CCCCCC2 270004a_100015204231_100000034229 [0,1,0,0,0,1|1,0,0]=3 11607 B19R2.114046 CC(Cc1ccccc1)NCC2CCCCCC2 34a_100015204231_200011218536 [0,1,0,0,0,1|0,0,0]=2 11608 B19R2.114046 CC(Cc1ccccc1)OCC2CCCCCC2 34a_100000699130_200011218536 [0,1,0,0,0,1|1,0,0]=3 11609 B19R2.114046 CC(Cc1ccccc1)OCC2CCCCCC2 34a_100000748627_200000696569 [0,1,0,0,0,1|1,0,0]=3 11610 B19R2.114046 CC(Cc1ccccc1)OCC2CCCCCC2 7a_100000699130_200011218536 [0,1,0,0,0,1|1,0,0]=3 11611 B19R2.114046 CC(Cc1ccccc1)OCC2CCCCCC2 7a_100000748627_200000696569 [0,1,0,0,0,1|1,0,0]=3 11612 B19R2.114046 CC(Cc1ccccc1)SCC2CCCCCC2 62a_200000696569_200011218536 [0,1,0,0,0,1|1,0,0]=3 11613 B19R2.114046 CC(Cc1ccccc1)SCC2CCCCCC2 62a_200011218536_200000696569 [0,1,0,0,0,1|1,0,0]=3 11614 B19R2.114046 CC(Cc1ccccn1)NCC2CCCCCC2 2230a_100000238496_200000696569 [0,1,0,0,0,1|1,0,0]=3 11615 B19R2.114046 CC(Cc1ccccn1)NCC2CCCCCC2 269862a_100000238496_200000763224 [0,1,0,0,0,1|1,0,0]=3 11616 B19R2.114046 CC(Cc1cccnc1)NCC2CCCCCC2 2230a_100011207255_200000696569 [0,1,0,0,0,1|1,0,0]=3 11617 B19R2.114046 CC(Cc1cccnc1)NCC2CCCCCC2 269862a_100011207255_200000763224 [0,1,0,0,0,1|1,0,0]=3 11618 B19R2.114046 CC(Cc1cccnc1)NCC2CCCCCC2 270004a_100015204231_100015187140 [0,1,0,0,0,1|1,0,0]=3 11619 B19R2.114046 CC(Cc1ccncc1)NCC2CCCCCC2 270004a_100015204231_100000238508 [0,1,0,0,0,1|1,0,0]=3 11620 B19R2.114046 CC(Cc1cnccn1)NCC2CCCCCC2 2230a_100011277835_200000696569 [0,1,0,0,0,1|2,0,0]=4 11621 B19R2.114046 CC(Cc1cnccn1)NCC2CCCCCC2 269862a_100011277835_200000763224 [0,1,0,0,0,1|2,0,0]=4 11622 B19R2.114046 CC(Cc1cnccn1)NCC2CCCCCC2 270004a_100015204231_100015184882 [0,1,0,0,0,1|2,0,0]=4 11623 B19R2.114046 CN(CCN1CCCCCC1)Cc2ccccc2 2230a_100000185865_100015196923 [0,1,0,0,0,1|2,0,0]=4 11624 B19R2.114046 CN(CCN1CCCCCC1)Cc2ccccc2 269982a_100000185865_100015196923 [0,1,0,0,0,1|2,0,0]=4 11625 B19R2.114046 CN(CCN1CCCCCC1)Cc2ccccc2 269982a_100000186898_100000722644 [0,1,0,0,0,1|2,0,0]=4 11626 B19R2.114046 CN(CCN1CCCCCC1)Cc2ccccc2 269982a_106744473495_100000211182 [0,1,0,0,0,1|2,0,0]=4 11627 B19R2.114046 CN(CCN1CCCCCC1)Cc2ccccc2 270004a_106744473495_100015611070 [0,1,0,0,0,1|2,0,0]=4 11628 B19R2.114046 CN(CCN1CCCCCC1)Cc2ccccc2 34a_100000185865_100015196923 [0,1,0,0,0,1|2,0,0]=4 11629 B19R2.114046 NC(COC1CCCCCC1)Cc2ccccc2 34a_100000739027_100011217769 [0,1,0,0,0,1|1,0,0]=3 11630 B19R2.114046 O=C(CCN1CCCCCC1)Cc2ccccc2 1458a_100000740320_100015291786 [0,1,0,0,0,1|2,0,0]=4 11631 B19R2.114046 O=C(CNC1=NCCCCC1)Cc2ccccc2 1458a_100000016077_100015291786 [0,1,0,0,0,1|1,0,1]=4 11632 B19R2.114046 O=C(CNC1CCCCCC1)Cc2ccccc2 2230a_100000210984_100000233483 [0,1,0,0,0,1|0,0,0]=2 11633 B19R2.114046 O=C(CNC1CCCCCC1)Nc2ccccc2 2230a_100000210984_100000182850 [0,1,0,0,0,1|0,0,1]=3 11634 B19R2.114046 O=C(CNC1CCCCCC1)Nc2ccccc2 270004a_100000742222_100000210131 [0,1,0,0,0,1|0,0,1]=3 11635 B19R2.114046 O=C(CNC1CCCCCC1)Nc2ccccc2 34a_100000210984_100000182850 [0,1,0,0,0,1|0,0,1]=3 11636 B19R2.114046 O=C(CNC1CCCCCC1)Nc2ccccn2 2230a_100000210984_100020662008 [0,1,0,0,0,1|1,0,1]=4 11637 B19R2.114046 O=C(CNC1CCCCCC1)Nc2ccncc2 2230a_100000210984_100000754145 [0,1,0,0,0,1|1,0,1]=4 11638 B19R2.114046 O=C(CNC1CCCCCC1)Oc2ccccc2 2230a_100000210984_100009813826 [0,1,0,0,0,1|0,0,1]=3 11639 B19R2.114046 O=C(CNC1CCCCCC1)Oc2ccccc2 34a_100000210984_100009813826 [0,1,0,0,0,1|0,0,1]=3 11640 B19R2.114046 O=C(CNC1CCCNCC1)Nc2ccccc2 270004a_100000742222_100015187895 [0,1,0,0,0,1|1,0,1]=4 11641 B19R2.114046 O=C(COC1CCCCCC1)Cc2ccccc2 7a_100000210887_100000233483 [0,1,0,0,0,1|1,0,0]=3 11642 B19R2.114046 O=C(COC1CCCCCC1)Nc2ccccc2 34a_100000210887_100000182850 [0,1,0,0,0,1|1,0,1]=4 11643 B19R2.114046 O=C(COC1CCCCCC1)Nc2ccccc2 34a_100000246334_100011217769 [0,1,0,0,0,1|1,0,1]=4 11644 B19R2.114046 O=C(COC1CCCCCC1)Nc2ccccc2 7a_100000210887_100000182850 [0,1,0,0,0,1|1,0,1]=4 11645 B19R2.114046 O=C(COC1CCCCCC1)Oc2ccccc2 34a_100000210887_100009813826 [0,1,0,0,0,1|1,0,1]=4 11646 B19R2.114046 O=C(COC1CCCCCC1)Oc2ccccc2 7a_100000210887_100009813826 [0,1,0,0,0,1|1,0,1]=4 11647 B19R2.114046 O=C(CSC1CCCCCC1)Cc2ccccc2 62a_100000233483_100011217769 [0,1,0,0,0,1|1,0,0]=3 11648 B19R2.114046 O=C(CSC1CCCCCC1)Cc2ccccc2 62a_100011217769_100000233483 [0,1,0,0,0,1|1,0,0]=3 11649 B19R2.114046 O=C(CSC1CCCCCC1)Nc2ccccc2 62a_100011217769_100000182850 [0,1,0,0,0,1|1,0,1]=4 11650 B19R2.114046 O=C(CSC1CCCCCC1)Nc2ccccc2 62a_100012148978_100011217769 [0,1,0,0,0,1|1,0,1]=4 11651 B19R2.114046 O=C(CSC1CCCCCC1)Oc2ccccc2 62a_100009813826_100011217769 [0,1,0,0,0,1|1,0,1]=4 11652 B19R2.114046 O=C(CSC1CCCCCC1)Oc2ccccc2 62a_100011217769_100009813826 [0,1,0,0,0,1|1,0,1]=4 11653 B19R2.114046 O=C(C[n+]1ccccc1)NCC2CCCCCC2 11a_100015204231_200000086051 [0,1,0,0,0,1|1,0,1]=4 11654 B19R2.114046 O=C(C[n+]1ccccc1)NCC2CCCCCC2 240690a_100015204231_200000086051 [0,1,0,0,0,1|1,0,1]=4 11655 B19R2.114046 O=C(C[n+]1ccccc1)NCC2CCCCCC2 527a_100015204231_200000086051 [0,1,0,0,0,1|1,0,1]=4 11656 B19R2.114046 O=C(Cc1ccccc1)NN=C2CCCCCC2 4a_100000182964_100000210131 [0,1,0,0,0,1|0,0,2]=4 11657 B19R2.114046 O=C(Cc1ccccn1)NCC2CCCCCC2 11a_100015204231_100000233486 [0,1,0,0,0,1|1,0,1]=4 11658 B19R2.114046 O=C(Cc1cccnc1)NCC2CCCCCC2 11a_100015204231_100000737805 [0,1,0,0,0,1|1,0,1]=4 11659 B19R2.114046 O=C(Cc1cccnc1)NCC2CCCCCC2 240690a_100015204231_100000737805 [0,1,0,0,0,1|1,0,1]=4 11660 B19R2.114046 O=C(Cc1cccnc1)NCC2CCCCCC2 527a_100015204231_100000737805 [0,1,0,0,0,1|1,0,1]=4 11661 B19R2.114046 O=C(Cc1ccncc1)NCC2CCCCCC2 11a_100015204231_100011201483 [0,1,0,0,0,1|1,0,1]=4 11662 B19R2.114046 O=C(Cc1ccncc1)NCC2CCCCCC2 240690a_100015204231_100011201483 [0,1,0,0,0,1|1,0,1]=4 11663 B19R2.114046 O=C(NCC1CCCCCC1)Nc2ccccc2 2430a_100000106764_100015204231 [0,1,0,0,0,1|1,0,1]=4 11664 B19R2.114046 OC(CNC1CCCCCC1)Cc2ccccc2 270004a_100000752270_100000210131 [0,1,0,0,0,1|0,0,0]=2 11665 B19R2.114046 OC(CNC1CCCNCC1)Cc2ccccc2 270004a_100000752270_100015187895 [0,1,0,0,0,1|1,0,0]=3 11666 B19R2.114046 OC(CNC1CSCCSC1)Cc2ccccc2 270004a_100000752270_100000068409 [0,1,0,0,0,1|2,0,0]=4 11667 B19R2.114046 O[C@H](CNC1CCCCCC1)Cc2ccccc2 2230a_100000210984_100000729385 [0,1,0,0,0,1|0,0,0]=2 11668 B19R2.114046 O[C@H](CNC1CCCCCC1)Cc2ccccc2 34a_100000210984_100000729385 [0,1,0,0,0,1|0,0,0]=2 11669 B19R2.114046 O[C@H](COC1CCCCCC1)Cc2ccccc2 34a_100000210887_100000729385 [0,1,0,0,0,1|1,0,0]=3 11670 B19R2.114046 O[C@H](COC1CCCCCC1)Cc2ccccc2 7a_100000210887_100000729385 [0,1,0,0,0,1|1,0,0]=3 11671 B19R2.114046 O[C@H](CSC1CCCCCC1)Cc2ccccc2 62a_100000729385_100011217769 [0,1,0,0,0,1|1,0,0]=3 11672 B19R2.114046 O[C@H](CSC1CCCCCC1)Cc2ccccc2 62a_100011217769_100000729385 [0,1,0,0,0,1|1,0,0]=3 11673 B19R2.151669 Brc1ccc(cc1)C#CCNC2CCCCCC2 2230a_100000210984_100010706785 [0,1,0,0,0,1|0,0,1]=3 11674 B19R2.151669 Brc1ccc(cc1)C#CCNC2CCCCCC2 34a_100000210984_100010706785 [0,1,0,0,0,1|0,0,1]=3 11675 B19R2.151669 Brc1ccc(cc1)C#CCOC2CCCCCC2 34a_100000210887_100010706785 [0,1,0,0,0,1|1,0,1]=4 11676 B19R2.151669 Brc1ccc(cc1)C#CCOC2CCCCCC2 34a_100009814260_100011217769 [0,1,0,0,0,1|1,0,1]=4 11677 B19R2.151669 Brc1ccc(cc1)C#CCOC2CCCCCC2 7a_100000210887_100010706785 [0,1,0,0,0,1|1,0,1]=4 11678 B19R2.151669 Brc1ccc(cc1)C#CCSC2CCCCCC2 62a_100010706785_100011217769 [0,1,0,0,0,1|1,0,1]=4 11679 B19R2.151669 Brc1ccc(cc1)C#CCSC2CCCCCC2 62a_100011217769_100010706785 [0,1,0,0,0,1|1,0,1]=4 11680 B19R2.151669 Brc1ccc(cc1)C=CCNC2CCCCCC2 270004a_100000210984_100016291818 [0,1,0,0,0,1|0,0,1]=3 11681 B19R2.151669 Brc1ccc(cc1)CCCCN2CCCCCC2 2230a_100000185865_200012094861 [0,1,0,0,0,1|2,0,0]=4 11682 B19R2.151669 Brc1ccc(cc1)CCCCN2CCCCCC2 269982a_100000185865_200012094861 [0,1,0,0,0,1|2,0,0]=4 11683 B19R2.151669 Brc1ccc(cc1)CCCCN2CCCCCC2 34a_100000185865_200012094861 [0,1,0,0,0,1|2,0,0]=4 11684 B19R2.151669 Brc1ccc(cc1)CCCNC2CCCCCC2 2230a_100000210984_100011713682 [0,1,0,0,0,1|0,0,0]=2 11685 B19R2.151669 Brc1ccc(cc1)CCCNC2CCCCCC2 270004a_100011297623_100000210131 [0,1,0,0,0,1|0,0,0]=2 11686 B19R2.151669 Brc1ccc(cc1)CCCNC2CCCCCC2 34a_100000210984_100011713682 [0,1,0,0,0,1|0,0,0]=2 11687 B19R2.151669 Brc1ccc(cc1)CCCNC2CCCCCC2 34a_100011297623_100011217769 [0,1,0,0,0,1|0,0,0]=2 11688 B19R2.151669 Brc1ccc(cc1)CCCNC2CCCNCC2 270004a_100011297623_100015187895 [0,1,0,0,0,1|1,0,0]=3 11689 B19R2.151669 Brc1ccc(cc1)CCCNC2CSCCSC2 270004a_100011297623_100000068409 [0,1,0,0,0,1|2,0,0]=4 11690 B19R2.151669 Brc1ccc(cc1)CCCOC2CCCCCC2 34a_100000210887_100011713682 [0,1,0,0,0,1|1,0,0]=3 11691 B19R2.151669 Brc1ccc(cc1)CCCOC2CCCCCC2 34a_100011709247_100011217769 [0,1,0,0,0,1|1,0,0]=3 11692 B19R2.151669 Brc1ccc(cc1)CCCOC2CCCCCC2 7a_100000210887_100011713682 [0,1,0,0,0,1|1,0,0]=3 11693 B19R2.151669 Brc1ccc(cc1)CCCSC2CCCCCC2 62a_100011217769_100011713682 [0,1,0,0,0,1|1,0,0]=3 11694 B19R2.151669 Brc1ccc(cc1)CCCSC2CCCCCC2 62a_100011713682_100011217769 [0,1,0,0,0,1|1,0,0]=3 11695 B19R2.151669 Brc1ccc(cc1)CCNCC2CCCCCC2 2230a_100000755846_200000696569 [0,1,0,0,0,1|0,0,0]=2 11696 B19R2.151669 Brc1ccc(cc1)CCNCC2CCCCCC2 2230a_100015204231_100011740612 [0,1,0,0,0,1|0,0,0]=2 11697 B19R2.151669 Brc1ccc(cc1)CCNCC2CCCCCC2 269862a_100000755846_200000763224 [0,1,0,0,0,1|0,0,0]=2 11698 B19R2.151669 Brc1ccc(cc1)CCNCC2CCCCCC2 34a_100000755846_200000696569 [0,1,0,0,0,1|0,0,0]=2 11699 B19R2.151669 Brc1ccc(cc1)CCNCC2CCCCCC2 34a_100015204231_100011740612 [0,1,0,0,0,1|0,0,0]=2 11700 B19R2.151669 Brc1ccc(cc1)CCOCC2CCCCCC2 34a_100000699130_100011740612 [0,1,0,0,0,1|1,0,0]=3 11701 B19R2.151669 Brc1ccc(cc1)CCOCC2CCCCCC2 34a_100000766406_200000696569 [0,1,0,0,0,1|1,0,0]=3 11702 B19R2.151669 Brc1ccc(cc1)CCOCC2CCCCCC2 7a_100000699130_100011740612 [0,1,0,0,0,1|1,0,0]=3 11703 B19R2.151669 Brc1ccc(cc1)CCOCC2CCCCCC2 7a_100000766406_200000696569 [0,1,0,0,0,1|1,0,0]=3 11704 B19R2.151669 Brc1ccc(cc1)CCSCC2CCCCCC2 62a_100011740612_200000696569 [0,1,0,0,0,1|1,0,0]=3 11705 B19R2.151669 Brc1ccc(cc1)CCSCC2CCCCCC2 62a_200000696569_100011740612 [0,1,0,0,0,1|1,0,0]=3 11706 B19R2.151669 Brc1ccc(cc1)CNCCC2CCCCCC2 207a_100011532351_100000186029 [0,1,0,0,0,1|1,0,0]=3 11707 B19R2.151669 Brc1ccc(cc1)CNCCC2CCCCCC2 2230a_100011532351_100011217064 [0,1,0,0,0,1|1,0,0]=3 11708 B19R2.151669 Brc1ccc(cc1)CNCCC2CCCCCC2 270004a_100011532351_100000186029 [0,1,0,0,0,1|1,0,0]=3 11709 B19R2.151669 Brc1ccc(cc1)CNCCC2CCCCCC2 34a_100011532351_100000189115 [0,1,0,0,0,1|1,0,0]=3 11710 B19R2.151669 Brc1ccc(cc1)CNCCN2CCCCCC2 207a_100000738142_100000186029 [0,1,0,0,0,1|2,0,0]=4 11711 B19R2.151669 Brc1ccc(cc1)CNCCN2CCCCCC2 270004a_100000738142_100000186029 [0,1,0,0,0,1|2,0,0]=4 11712 B19R2.151669 Brc1ccc(cc1)CNN=CC2CCCCCC2 4a_100016993955_200000763224 [0,1,0,0,0,1|1,0,1]=4 11713 B19R2.151669 Brc1ccc(cc1)COCCN2CCCCCC2 34a_100000238007_100000189115 [0,1,0,0,0,1|2,0,0]=4 11714 B19R2.151669 Brc1ccc(cc1)CSCCN2CCCCCC2 62a_100000189115_100000722644 [0,1,0,0,0,1|2,0,0]=4 11715 B19R2.151669 Brc1ccc(cc1)CSCCN2CCCCCC2 62a_100000722644_100000189115 [0,1,0,0,0,1|2,0,0]=4 11716 B19R2.151669 Brc1ccc(cc1)OCCCN2CCCCCC2 2230a_100000185865_100011259224 [0,1,0,0,0,1|2,0,0]=4 11717 B19R2.151669 Brc1ccc(cc1)OCCCN2CCCCCC2 269982a_100000185865_100011259224 [0,1,0,0,0,1|2,0,0]=4 11718 B19R2.151669 Brc1ccc(cc1)OCCCN2CCCCCC2 34a_100000185865_100011259224 [0,1,0,0,0,1|2,0,0]=4 11719 B19R2.151669 Brc1ccc(cc1)OCCNC2CCCCCC2 2230a_100000210984_100000183278 [0,1,0,0,0,1|0,0,0]=2 11720 B19R2.151669 Brc1ccc(cc1)OCCNC2CCCCCC2 270004a_100000746992_100000210131 [0,1,0,0,0,1|0,0,0]=2 11721 B19R2.151669 Brc1ccc(cc1)OCCNC2CCCCCC2 34a_100000210984_100000183278 [0,1,0,0,0,1|0,0,0]=2 11722 B19R2.151669 Brc1ccc(cc1)OCCNC2CCCCCC2 34a_100000746992_100011217769 [0,1,0,0,0,1|0,0,0]=2 11723 B19R2.151669 Brc1ccc(cc1)OCCNC2CCCNCC2 270004a_100000746992_100015187895 [0,1,0,0,0,1|1,0,0]=3 11724 B19R2.151669 Brc1ccc(cc1)OCCNC2CSCCSC2 270004a_100000746992_100000068409 [0,1,0,0,0,1|2,0,0]=4 11725 B19R2.151669 Brc1ccc(cc1)OCCOC2CCCCCC2 34a_100000210887_100000183278 [0,1,0,0,0,1|1,0,0]=3 11726 B19R2.151669 Brc1ccc(cc1)OCCOC2CCCCCC2 34a_100000686261_100011217769 [0,1,0,0,0,1|1,0,0]=3 11727 B19R2.151669 Brc1ccc(cc1)OCCOC2CCCCCC2 7a_100000210887_100000183278 [0,1,0,0,0,1|1,0,0]=3 11728 B19R2.151669 Brc1ccc(cc1)OCCSC2CCCCCC2 62a_100000183278_100011217769 [0,1,0,0,0,1|1,0,0]=3 11729 B19R2.151669 Brc1ccc(cc1)OCCSC2CCCCCC2 62a_100011217769_100000183278 [0,1,0,0,0,1|1,0,0]=3 11730 B19R2.151669 Brc1ccc(cc1)SCCNC2CCCCCC2 270004a_100000184645_100000210131 [0,1,0,0,0,1|0,0,0]=2 11731 B19R2.151669 Brc1ccc(cc1)SCCNC2CCCNCC2 270004a_100000184645_100015187895 [0,1,0,0,0,1|1,0,0]=3 11732 B19R2.151669 Brc1ccc(cc1)SCCNC2CSCCSC2 270004a_100000184645_100000068409 [0,1,0,0,0,1|2,0,0]=4 11733 B19R2.151669 Brc1ccc(cn1)CNCCC2CCCCCC2 2230a_100011532351_100009831999 [0,1,0,0,0,1|2,0,0]=4 11734 B19R2.151669 Brc1ccc(cn1)CNCCC2CCCCCC2 34a_100011532351_100009831999 [0,1,0,0,0,1|2,0,0]=4 11735 B19R2.151669 Brc1ccc(cn1)OCCOC2CCCCCC2 34a_200013150534_100011217769 [0,1,0,0,0,1|2,0,0]=4 11736 B19R2.151669 Brc1ccc(nc1)CCOCC2CCCCCC2 34a_100012357577_200000696569 [0,1,0,0,0,1|2,0,0]=4 11737 B19R2.151669 Brc1ccc(nc1)CNCCC2CCCCCC2 207a_100011532351_100000754260 [0,1,0,0,0,1|2,0,0]=4 11738 B19R2.151669 Brc1ccc(nc1)CNCCC2CCCCCC2 2230a_100011532351_100000702658 [0,1,0,0,0,1|2,0,0]=4 11739 B19R2.151669 Brc1ccc(nc1)CNCCC2CCCCCC2 270004a_100011532351_100000754260 [0,1,0,0,0,1|2,0,0]=4 11740 B19R2.151669 Brc1ccc(nc1)CNCCC2CCCCCC2 34a_100011532351_100000702658 [0,1,0,0,0,1|2,0,0]=4 11741 B19R2.151669 Cc1ccc(cc1)C#CCOC2CCCCCC2 34a_100000696136_100011217769 [0,1,0,0,0,1|1,0,1]=4 11742 B19R2.151669 Cc1ccc(cc1)C=CCNC2CCCCCC2 270004a_100000210984_100016257026 [0,1,0,0,0,1|0,0,1]=3 11743 B19R2.151669 Cc1ccc(cc1)CCCNC2CCCCCC2 270004a_100011236272_100000210131 [0,1,0,0,0,1|0,0,0]=2 11744 B19R2.151669 Cc1ccc(cc1)CCCNC2CCCCCC2 34a_100011236272_100011217769 [0,1,0,0,0,1|0,0,0]=2 11745 B19R2.151669 Cc1ccc(cc1)CCCNC2CCCNCC2 270004a_100011236272_100015187895 [0,1,0,0,0,1|1,0,0]=3 11746 B19R2.151669 Cc1ccc(cc1)CCCNC2CSCCSC2 270004a_100011236272_100000068409 [0,1,0,0,0,1|2,0,0]=4 11747 B19R2.151669 Cc1ccc(cc1)CCCOC2CCCCCC2 34a_100000189427_100011217769 [0,1,0,0,0,1|1,0,0]=3 11748 B19R2.151669 Cc1ccc(cc1)CCNCC2CCCCCC2 2230a_100000705350_200000696569 [0,1,0,0,0,1|0,0,0]=2 11749 B19R2.151669 Cc1ccc(cc1)CCNCC2CCCCCC2 2230a_100015204231_100011713686 [0,1,0,0,0,1|0,0,0]=2 11750 B19R2.151669 Cc1ccc(cc1)CCNCC2CCCCCC2 269862a_100000705350_200000763224 [0,1,0,0,0,1|0,0,0]=2 11751 B19R2.151669 Cc1ccc(cc1)CCNCC2CCCCCC2 34a_100000705350_200000696569 [0,1,0,0,0,1|0,0,0]=2 11752 B19R2.151669 Cc1ccc(cc1)CCNCC2CCCCCC2 34a_100015204231_100011713686 [0,1,0,0,0,1|0,0,0]=2 11753 B19R2.151669 Cc1ccc(cc1)CCOCC2CCCCCC2 34a_100000699130_100011713686 [0,1,0,0,0,1|1,0,0]=3 11754 B19R2.151669 Cc1ccc(cc1)CCOCC2CCCCCC2 34a_100000756670_200000696569 [0,1,0,0,0,1|1,0,0]=3 11755 B19R2.151669 Cc1ccc(cc1)CCOCC2CCCCCC2 7a_100000699130_100011713686 [0,1,0,0,0,1|1,0,0]=3 11756 B19R2.151669 Cc1ccc(cc1)CCOCC2CCCCCC2 7a_100000756670_200000696569 [0,1,0,0,0,1|1,0,0]=3 11757 B19R2.151669 Cc1ccc(cc1)CCSCC2CCCCCC2 62a_100011713686_200000696569 [0,1,0,0,0,1|1,0,0]=3 11758 B19R2.151669 Cc1ccc(cc1)CCSCC2CCCCCC2 62a_200000696569_100011713686 [0,1,0,0,0,1|1,0,0]=3 11759 B19R2.151669 Cc1ccc(cc1)CNCCC2CCCCCC2 207a_100011532351_100000211033 [0,1,0,0,0,1|1,0,0]=3 11760 B19R2.151669 Cc1ccc(cc1)CNCCC2CCCCCC2 2230a_100011532351_100000210814 [0,1,0,0,0,1|1,0,0]=3 11761 B19R2.151669 Cc1ccc(cc1)CNCCC2CCCCCC2 270004a_100011532351_100000211033 [0,1,0,0,0,1|1,0,0]=3 11762 B19R2.151669 Cc1ccc(cc1)CNCCC2CCCCCC2 34a_100011532351_100000210814 [0,1,0,0,0,1|1,0,0]=3 11763 B19R2.151669 Cc1ccc(cc1)CNCCN2CCCCCC2 207a_100000738142_100000211033 [0,1,0,0,0,1|2,0,0]=4 11764 B19R2.151669 Cc1ccc(cc1)CNCCN2CCCCCC2 270004a_100000738142_100000211033 [0,1,0,0,0,1|2,0,0]=4 11765 B19R2.151669 Cc1ccc(cc1)CNN=CC2CCCCCC2 4a_100011197965_200000763224 [0,1,0,0,0,1|1,0,1]=4 11766 B19R2.151669 Cc1ccc(cc1)COCCN2CCCCCC2 34a_100000238007_100000210814 [0,1,0,0,0,1|2,0,0]=4 11767 B19R2.151669 Cc1ccc(cc1)COCCN2CCCCCC2 7a_100011215236_100000722644 [0,1,0,0,0,1|2,0,0]=4 11768 B19R2.151669 Cc1ccc(cc1)CSCCN2CCCCCC2 62a_100000210814_100000722644 [0,1,0,0,0,1|2,0,0]=4 11769 B19R2.151669 Cc1ccc(cc1)CSCCN2CCCCCC2 62a_100000722644_100000210814 [0,1,0,0,0,1|2,0,0]=4 11770 B19R2.151669 Cc1ccc(cc1)OCCNC2CCCCCC2 2230a_100000210984_100000183172 [0,1,0,0,0,1|0,0,0]=2 11771 B19R2.151669 Cc1ccc(cc1)OCCNC2CCCCCC2 270004a_100020666663_100000210131 [0,1,0,0,0,1|0,0,0]=2 11772 B19R2.151669 Cc1ccc(cc1)OCCNC2CCCCCC2 34a_100000210984_100000183172 [0,1,0,0,0,1|0,0,0]=2 11773 B19R2.151669 Cc1ccc(cc1)OCCNC2CCCCCC2 34a_100020666663_100011217769 [0,1,0,0,0,1|0,0,0]=2 11774 B19R2.151669 Cc1ccc(cc1)OCCNC2CCCNCC2 270004a_100020666663_100015187895 [0,1,0,0,0,1|1,0,0]=3 11775 B19R2.151669 Cc1ccc(cc1)OCCNC2CSCCSC2 270004a_100020666663_100000068409 [0,1,0,0,0,1|2,0,0]=4 11776 B19R2.151669 Cc1ccc(cc1)OCCOC2CCCCCC2 34a_100000210887_100000183172 [0,1,0,0,0,1|1,0,0]=3 11777 B19R2.151669 Cc1ccc(cc1)OCCOC2CCCCCC2 34a_100011219107_100011217769 [0,1,0,0,0,1|1,0,0]=3 11778 B19R2.151669 Cc1ccc(cc1)OCCOC2CCCCCC2 7a_100000210887_100000183172 [0,1,0,0,0,1|1,0,0]=3 11779 B19R2.151669 Cc1ccc(cc1)OCCSC2CCCCCC2 62a_100000183172_100011217769 [0,1,0,0,0,1|1,0,0]=3 11780 B19R2.151669 Cc1ccc(cc1)OCCSC2CCCCCC2 62a_100011217769_100000183172 [0,1,0,0,0,1|1,0,0]=3 11781 B19R2.151669 Cc1ccc(cc1)SCCNC2CCCCCC2 270004a_100000739754_100000210131 [0,1,0,0,0,1|0,0,0]=2 11782 B19R2.151669 Cc1ccc(cc1)SCCNC2CCCNCC2 270004a_100000739754_100015187895 [0,1,0,0,0,1|1,0,0]=3 11783 B19R2.151669 Cc1ccc(cc1)SCCNC2CSCCSC2 270004a_100000739754_100000068409 [0,1,0,0,0,1|2,0,0]=4 11784 B19R2.151669 Cc1ccc(cc1)SCCOC2CCCCCC2 34a_200000230582_100011217769 [0,1,0,0,0,1|1,0,0]=3 11785 B19R2.151669 Cc1ccc(cn1)CCOCC2CCCCCC2 34a_100011815783_200000696569 [0,1,0,0,0,1|2,0,0]=4 11786 B19R2.151669 Cc1ccc(cn1)CNCCC2CCCCCC2 2230a_100011532351_100016987292 [0,1,0,0,0,1|2,0,0]=4 11787 B19R2.151669 Cc1ccc(cn1)CNCCC2CCCCCC2 270004a_100011532351_100000743784 [0,1,0,0,0,1|2,0,0]=4 11788 B19R2.151669 Cc1ccc(cn1)CNCCC2CCCCCC2 34a_100011532351_100016987292 [0,1,0,0,0,1|2,0,0]=4 11789 B19R2.151669 Cc1ccc(nc1)CNCCC2CCCCCC2 207a_100011532351_100000050478 [0,1,0,0,0,1|2,0,0]=4 11790 B19R2.151669 Cc1ccc(nc1)CNCCC2CCCCCC2 2230a_100011532351_100000691093 [0,1,0,0,0,1|2,0,0]=4 11791 B19R2.151669 Cc1ccc(nc1)CNCCC2CCCCCC2 270004a_100011532351_100000050478 [0,1,0,0,0,1|2,0,0]=4 11792 B19R2.151669 Cc1ccc(nc1)CNCCC2CCCCCC2 34a_100011532351_100000691093 [0,1,0,0,0,1|2,0,0]=4 11793 B19R2.151669 Clc1ccc(cc1)C#CCNC2CCCCCC2 34a_100011352944_100011217769 [0,1,0,0,0,1|0,0,1]=3 11794 B19R2.151669 Clc1ccc(cc1)C=CCNC2CCCCCC2 270004a_100000210984_100102525842 [0,1,0,0,0,1|0,0,1]=3 11795 B19R2.151669 Clc1ccc(cc1)CCCNC2CCCCCC2 2230a_100000210984_100000759440 [0,1,0,0,0,1|0,0,0]=2 11796 B19R2.151669 Clc1ccc(cc1)CCCNC2CCCCCC2 270004a_100000748451_100000210131 [0,1,0,0,0,1|0,0,0]=2 11797 B19R2.151669 Clc1ccc(cc1)CCCNC2CCCCCC2 34a_100000210984_100000759440 [0,1,0,0,0,1|0,0,0]=2 11798 B19R2.151669 Clc1ccc(cc1)CCCNC2CCCCCC2 34a_100000748451_100011217769 [0,1,0,0,0,1|0,0,0]=2 11799 B19R2.151669 Clc1ccc(cc1)CCCNC2CCCNCC2 270004a_100000748451_100015187895 [0,1,0,0,0,1|1,0,0]=3 11800 B19R2.151669 Clc1ccc(cc1)CCCNC2CSCCSC2 270004a_100000748451_100000068409 [0,1,0,0,0,1|2,0,0]=4 11801 B19R2.151669 Clc1ccc(cc1)CCCOC2CCCCCC2 34a_100000210887_100000759440 [0,1,0,0,0,1|1,0,0]=3 11802 B19R2.151669 Clc1ccc(cc1)CCCOC2CCCCCC2 34a_100011217485_100011217769 [0,1,0,0,0,1|1,0,0]=3 11803 B19R2.151669 Clc1ccc(cc1)CCCOC2CCCCCC2 7a_100000210887_100000759440 [0,1,0,0,0,1|1,0,0]=3 11804 B19R2.151669 Clc1ccc(cc1)CCCSC2CCCCCC2 62a_100000759440_100011217769 [0,1,0,0,0,1|1,0,0]=3 11805 B19R2.151669 Clc1ccc(cc1)CCCSC2CCCCCC2 62a_100011217769_100000759440 [0,1,0,0,0,1|1,0,0]=3 11806 B19R2.151669 Clc1ccc(cc1)CCNCC2CCCCCC2 2230a_100000185265_200000696569 [0,1,0,0,0,1|0,0,0]=2 11807 B19R2.151669 Clc1ccc(cc1)CCNCC2CCCCCC2 2230a_100015204231_100011713675 [0,1,0,0,0,1|0,0,0]=2 11808 B19R2.151669 Clc1ccc(cc1)CCNCC2CCCCCC2 269862a_100000185265_200000763224 [0,1,0,0,0,1|0,0,0]=2 11809 B19R2.151669 Clc1ccc(cc1)CCNCC2CCCCCC2 34a_100000185265_200000696569 [0,1,0,0,0,1|0,0,0]=2 11810 B19R2.151669 Clc1ccc(cc1)CCNCC2CCCCCC2 34a_100015204231_100011713675 [0,1,0,0,0,1|0,0,0]=2 11811 B19R2.151669 Clc1ccc(cc1)CCOCC2CCCCCC2 34a_100000699130_100011713675 [0,1,0,0,0,1|1,0,0]=3 11812 B19R2.151669 Clc1ccc(cc1)CCOCC2CCCCCC2 34a_100011219627_200000696569 [0,1,0,0,0,1|1,0,0]=3 11813 B19R2.151669 Clc1ccc(cc1)CCOCC2CCCCCC2 7a_100000699130_100011713675 [0,1,0,0,0,1|1,0,0]=3 11814 B19R2.151669 Clc1ccc(cc1)CCOCC2CCCCCC2 7a_100011219627_200000696569 [0,1,0,0,0,1|1,0,0]=3 11815 B19R2.151669 Clc1ccc(cc1)CCSCC2CCCCCC2 62a_100011713675_200000696569 [0,1,0,0,0,1|1,0,0]=3 11816 B19R2.151669 Clc1ccc(cc1)CCSCC2CCCCCC2 62a_200000696569_100011713675 [0,1,0,0,0,1|1,0,0]=3 11817 B19R2.151669 Clc1ccc(cc1)CNCCC2CCCCCC2 207a_100011532351_100000189385 [0,1,0,0,0,1|1,0,0]=3 11818 B19R2.151669 Clc1ccc(cc1)CNCCC2CCCCCC2 2230a_100011532351_100000694040 [0,1,0,0,0,1|1,0,0]=3 11819 B19R2.151669 Clc1ccc(cc1)CNCCC2CCCCCC2 270004a_100011532351_100000189385 [0,1,0,0,0,1|1,0,0]=3 11820 B19R2.151669 Clc1ccc(cc1)CNCCC2CCCCCC2 34a_100011532351_100000694040 [0,1,0,0,0,1|1,0,0]=3 11821 B19R2.151669 Clc1ccc(cc1)CNCCN2CCCCCC2 207a_100000738142_100000189385 [0,1,0,0,0,1|2,0,0]=4 11822 B19R2.151669 Clc1ccc(cc1)CNCCN2CCCCCC2 270004a_100000738142_100000189385 [0,1,0,0,0,1|2,0,0]=4 11823 B19R2.151669 Clc1ccc(cc1)CNN=CC2CCCCCC2 4a_100000689899_200000763224 [0,1,0,0,0,1|1,0,1]=4 11824 B19R2.151669 Clc1ccc(cc1)COCCN2CCCCCC2 34a_100000238007_100000694040 [0,1,0,0,0,1|2,0,0]=4 11825 B19R2.151669 Clc1ccc(cc1)COCCN2CCCCCC2 7a_100000211118_100000722644 [0,1,0,0,0,1|2,0,0]=4 11826 B19R2.151669 Clc1ccc(cc1)CSCCN2CCCCCC2 62a_100000187161_100000722644 [0,1,0,0,0,1|2,0,0]=4 11827 B19R2.151669 Clc1ccc(cc1)CSCCN2CCCCCC2 62a_100000722644_100000187161 [0,1,0,0,0,1|2,0,0]=4 11828 B19R2.151669 Clc1ccc(cc1)OCCNC2CCCCCC2 2230a_100000210984_100000184122 [0,1,0,0,0,1|0,0,0]=2 11829 B19R2.151669 Clc1ccc(cc1)OCCNC2CCCCCC2 270004a_100000697975_100000210131 [0,1,0,0,0,1|0,0,0]=2 11830 B19R2.151669 Clc1ccc(cc1)OCCNC2CCCCCC2 34a_100000210984_100000184122 [0,1,0,0,0,1|0,0,0]=2 11831 B19R2.151669 Clc1ccc(cc1)OCCNC2CCCCCC2 34a_100000697975_100011217769 [0,1,0,0,0,1|0,0,0]=2 11832 B19R2.151669 Clc1ccc(cc1)OCCNC2CCCNCC2 270004a_100000697975_100015187895 [0,1,0,0,0,1|1,0,0]=3 11833 B19R2.151669 Clc1ccc(cc1)OCCNC2CSCCSC2 270004a_100000697975_100000068409 [0,1,0,0,0,1|2,0,0]=4 11834 B19R2.151669 Clc1ccc(cc1)OCCOC2CCCCCC2 34a_100000210887_100000184122 [0,1,0,0,0,1|1,0,0]=3 11835 B19R2.151669 Clc1ccc(cc1)OCCOC2CCCCCC2 34a_100000237962_100011217769 [0,1,0,0,0,1|1,0,0]=3 11836 B19R2.151669 Clc1ccc(cc1)OCCOC2CCCCCC2 7a_100000210887_100000184122 [0,1,0,0,0,1|1,0,0]=3 11837 B19R2.151669 Clc1ccc(cc1)OCCSC2CCCCCC2 62a_100000184122_100011217769 [0,1,0,0,0,1|1,0,0]=3 11838 B19R2.151669 Clc1ccc(cc1)OCCSC2CCCCCC2 62a_100011217769_100000184122 [0,1,0,0,0,1|1,0,0]=3 11839 B19R2.151669 Clc1ccc(cc1)SCCNC2CCCCCC2 270004a_100000174974_100000210131 [0,1,0,0,0,1|0,0,0]=2 11840 B19R2.151669 Clc1ccc(cc1)SCCNC2CCCNCC2 270004a_100000174974_100015187895 [0,1,0,0,0,1|1,0,0]=3 11841 B19R2.151669 Clc1ccc(cc1)SCCNC2CSCCSC2 270004a_100000174974_100000068409 [0,1,0,0,0,1|2,0,0]=4 11842 B19R2.151669 Clc1ccc(cc1)SCCOC2CCCCCC2 34a_100000230527_100011217769 [0,1,0,0,0,1|1,0,0]=3 11843 B19R2.151669 Clc1ccc(cn1)CCOCC2CCCCCC2 34a_100009880866_200000696569 [0,1,0,0,0,1|2,0,0]=4 11844 B19R2.151669 Clc1ccc(cn1)CCOCC2CCCCCC2 7a_100009880866_200000696569 [0,1,0,0,0,1|2,0,0]=4 11845 B19R2.151669 Clc1ccc(cn1)CNCCC2CCCCCC2 2230a_100011532351_100000735431 [0,1,0,0,0,1|2,0,0]=4 11846 B19R2.151669 Clc1ccc(cn1)CNCCC2CCCCCC2 34a_100011532351_100000735431 [0,1,0,0,0,1|2,0,0]=4 11847 B19R2.151669 Clc1ccc(nc1)CNCCC2CCCCCC2 207a_100011532351_100011361569 [0,1,0,0,0,1|2,0,0]=4 11848 B19R2.151669 Clc1ccc(nc1)CNCCC2CCCCCC2 2230a_100011532351_100012066911 [0,1,0,0,0,1|2,0,0]=4 11849 B19R2.151669 Clc1ccc(nc1)CNCCC2CCCCCC2 270004a_100011532351_100011361569 [0,1,0,0,0,1|2,0,0]=4 11850 B19R2.151669 Clc1ccc(nc1)CNCCC2CCCCCC2 34a_100011532351_100012066911 [0,1,0,0,0,1|2,0,0]=4 11851 B19R2.151669 Fc1ccc(cc1)C#CCNC2CCCCCC2 2230a_100000210984_100010402171 [0,1,0,0,0,1|0,0,1]=3 11852 B19R2.151669 Fc1ccc(cc1)C#CCNC2CCCCCC2 34a_100000210984_100010402171 [0,1,0,0,0,1|0,0,1]=3 11853 B19R2.151669 Fc1ccc(cc1)C#CCOC2CCCCCC2 34a_100000210887_100010402171 [0,1,0,0,0,1|1,0,1]=4 11854 B19R2.151669 Fc1ccc(cc1)C#CCOC2CCCCCC2 34a_100011219116_100011217769 [0,1,0,0,0,1|1,0,1]=4 11855 B19R2.151669 Fc1ccc(cc1)C#CCOC2CCCCCC2 7a_100000210887_100010402171 [0,1,0,0,0,1|1,0,1]=4 11856 B19R2.151669 Fc1ccc(cc1)C#CCSC2CCCCCC2 62a_100010402171_100011217769 [0,1,0,0,0,1|1,0,1]=4 11857 B19R2.151669 Fc1ccc(cc1)C#CCSC2CCCCCC2 62a_100011217769_100010402171 [0,1,0,0,0,1|1,0,1]=4 11858 B19R2.151669 Fc1ccc(cc1)C=CCNC2CCCCCC2 270004a_100000210984_100016272083 [0,1,0,0,0,1|0,0,1]=3 11859 B19R2.151669 Fc1ccc(cc1)CCCCN2CCCCCC2 2230a_100000185865_100012093538 [0,1,0,0,0,1|2,0,0]=4 11860 B19R2.151669 Fc1ccc(cc1)CCCCN2CCCCCC2 269982a_100000185865_100012093538 [0,1,0,0,0,1|2,0,0]=4 11861 B19R2.151669 Fc1ccc(cc1)CCCCN2CCCCCC2 34a_100000185865_100012093538 [0,1,0,0,0,1|2,0,0]=4 11862 B19R2.151669 Fc1ccc(cc1)CCCNC2CCCCCC2 2230a_100000210984_200011713563 [0,1,0,0,0,1|0,0,0]=2 11863 B19R2.151669 Fc1ccc(cc1)CCCNC2CCCCCC2 270004a_100025745824_100000210131 [0,1,0,0,0,1|0,0,0]=2 11864 B19R2.151669 Fc1ccc(cc1)CCCNC2CCCCCC2 34a_100000210984_200011713563 [0,1,0,0,0,1|0,0,0]=2 11865 B19R2.151669 Fc1ccc(cc1)CCCNC2CCCCCC2 34a_100025745824_100011217769 [0,1,0,0,0,1|0,0,0]=2 11866 B19R2.151669 Fc1ccc(cc1)CCCNC2CCCNCC2 270004a_100025745824_100015187895 [0,1,0,0,0,1|1,0,0]=3 11867 B19R2.151669 Fc1ccc(cc1)CCCNC2CSCCSC2 270004a_100025745824_100000068409 [0,1,0,0,0,1|2,0,0]=4 11868 B19R2.151669 Fc1ccc(cc1)CCCOC2CCCCCC2 34a_100000210887_200011713563 [0,1,0,0,0,1|1,0,0]=3 11869 B19R2.151669 Fc1ccc(cc1)CCCOC2CCCCCC2 34a_100000757351_100011217769 [0,1,0,0,0,1|1,0,0]=3 11870 B19R2.151669 Fc1ccc(cc1)CCCOC2CCCCCC2 7a_100000210887_200011713563 [0,1,0,0,0,1|1,0,0]=3 11871 B19R2.151669 Fc1ccc(cc1)CCCSC2CCCCCC2 62a_100011217769_200011713563 [0,1,0,0,0,1|1,0,0]=3 11872 B19R2.151669 Fc1ccc(cc1)CCCSC2CCCCCC2 62a_200011713563_100011217769 [0,1,0,0,0,1|1,0,0]=3 11873 B19R2.151669 Fc1ccc(cc1)CCNCC2CCCCCC2 2230a_100000199005_200000696569 [0,1,0,0,0,1|0,0,0]=2 11874 B19R2.151669 Fc1ccc(cc1)CCNCC2CCCCCC2 2230a_100015204231_100011217392 [0,1,0,0,0,1|0,0,0]=2 11875 B19R2.151669 Fc1ccc(cc1)CCNCC2CCCCCC2 269862a_100000199005_200000763224 [0,1,0,0,0,1|0,0,0]=2 11876 B19R2.151669 Fc1ccc(cc1)CCNCC2CCCCCC2 34a_100000199005_200000696569 [0,1,0,0,0,1|0,0,0]=2 11877 B19R2.151669 Fc1ccc(cc1)CCNCC2CCCCCC2 34a_100015204231_100011217392 [0,1,0,0,0,1|0,0,0]=2 11878 B19R2.151669 Fc1ccc(cc1)CCOCC2CCCCCC2 34a_100000699130_100011217392 [0,1,0,0,0,1|1,0,0]=3 11879 B19R2.151669 Fc1ccc(cc1)CCOCC2CCCCCC2 34a_100000754732_200000696569 [0,1,0,0,0,1|1,0,0]=3 11880 B19R2.151669 Fc1ccc(cc1)CCOCC2CCCCCC2 7a_100000699130_100011217392 [0,1,0,0,0,1|1,0,0]=3 11881 B19R2.151669 Fc1ccc(cc1)CCOCC2CCCCCC2 7a_100000754732_200000696569 [0,1,0,0,0,1|1,0,0]=3 11882 B19R2.151669 Fc1ccc(cc1)CCSCC2CCCCCC2 62a_100011217392_200000696569 [0,1,0,0,0,1|1,0,0]=3 11883 B19R2.151669 Fc1ccc(cc1)CCSCC2CCCCCC2 62a_200000696569_100011217392 [0,1,0,0,0,1|1,0,0]=3 11884 B19R2.151669 Fc1ccc(cc1)CNCCC2CCCCCC2 207a_100011532351_100000210084 [0,1,0,0,0,1|1,0,0]=3 11885 B19R2.151669 Fc1ccc(cc1)CNCCC2CCCCCC2 2230a_100011532351_100000198546 [0,1,0,0,0,1|1,0,0]=3 11886 B19R2.151669 Fc1ccc(cc1)CNCCC2CCCCCC2 270004a_100011532351_100000210084 [0,1,0,0,0,1|1,0,0]=3 11887 B19R2.151669 Fc1ccc(cc1)CNCCC2CCCCCC2 34a_100011532351_100000198546 [0,1,0,0,0,1|1,0,0]=3 11888 B19R2.151669 Fc1ccc(cc1)CNCCN2CCCCCC2 207a_100000738142_100000210084 [0,1,0,0,0,1|2,0,0]=4 11889 B19R2.151669 Fc1ccc(cc1)CNCCN2CCCCCC2 270004a_100000738142_100000210084 [0,1,0,0,0,1|2,0,0]=4 11890 B19R2.151669 Fc1ccc(cc1)CNN=CC2CCCCCC2 4a_100000689900_200000763224 [0,1,0,0,0,1|1,0,1]=4 11891 B19R2.151669 Fc1ccc(cc1)COCCN2CCCCCC2 34a_100000238007_100000198546 [0,1,0,0,0,1|2,0,0]=4 11892 B19R2.151669 Fc1ccc(cc1)COCCN2CCCCCC2 7a_100000210977_100000722644 [0,1,0,0,0,1|2,0,0]=4 11893 B19R2.151669 Fc1ccc(cc1)CSCCN2CCCCCC2 62a_100000198546_100000722644 [0,1,0,0,0,1|2,0,0]=4 11894 B19R2.151669 Fc1ccc(cc1)CSCCN2CCCCCC2 62a_100000722644_100000187164 [0,1,0,0,0,1|2,0,0]=4 11895 B19R2.151669 Fc1ccc(cc1)OCCCN2CCCCCC2 2230a_100000185865_100000181347 [0,1,0,0,0,1|2,0,0]=4 11896 B19R2.151669 Fc1ccc(cc1)OCCCN2CCCCCC2 269982a_100000185865_100000181347 [0,1,0,0,0,1|2,0,0]=4 11897 B19R2.151669 Fc1ccc(cc1)OCCCN2CCCCCC2 34a_100000185865_100000181347 [0,1,0,0,0,1|2,0,0]=4 11898 B19R2.151669 Fc1ccc(cc1)OCCNC2CCCCCC2 2230a_100000210984_100000184936 [0,1,0,0,0,1|0,0,0]=2 11899 B19R2.151669 Fc1ccc(cc1)OCCNC2CCCCCC2 270004a_100000737420_100000210131 [0,1,0,0,0,1|0,0,0]=2 11900 B19R2.151669 Fc1ccc(cc1)OCCNC2CCCCCC2 34a_100000210984_100000184936 [0,1,0,0,0,1|0,0,0]=2 11901 B19R2.151669 Fc1ccc(cc1)OCCNC2CCCCCC2 34a_100000737420_100011217769 [0,1,0,0,0,1|0,0,0]=2 11902 B19R2.151669 Fc1ccc(cc1)OCCNC2CCCNCC2 270004a_100000737420_100015187895 [0,1,0,0,0,1|1,0,0]=3 11903 B19R2.151669 Fc1ccc(cc1)OCCNC2CSCCSC2 270004a_100000737420_100000068409 [0,1,0,0,0,1|2,0,0]=4 11904 B19R2.151669 Fc1ccc(cc1)OCCOC2CCCCCC2 34a_100000210887_100000184936 [0,1,0,0,0,1|1,0,0]=3 11905 B19R2.151669 Fc1ccc(cc1)OCCOC2CCCCCC2 7a_100000210887_100000184936 [0,1,0,0,0,1|1,0,0]=3 11906 B19R2.151669 Fc1ccc(cc1)OCCSC2CCCCCC2 62a_100000184936_100011217769 [0,1,0,0,0,1|1,0,0]=3 11907 B19R2.151669 Fc1ccc(cc1)OCCSC2CCCCCC2 62a_100011217769_100000184936 [0,1,0,0,0,1|1,0,0]=3 11908 B19R2.151669 Fc1ccc(cc1)SCCOC2CCCCCC2 34a_200000230679_100011217769 [0,1,0,0,0,1|1,0,0]=3 11909 B19R2.151669 Fc1ccc(cn1)CNCCC2CCCCCC2 2230a_100011532351_100009820150 [0,1,0,0,0,1|2,0,0]=4 11910 B19R2.151669 Fc1ccc(cn1)CNCCC2CCCCCC2 34a_100011532351_100000099788 [0,1,0,0,0,1|2,0,0]=4 11911 B19R2.151669 Fc1ccc(nc1)CNCCC2CCCCCC2 207a_100011532351_100011934744 [0,1,0,0,0,1|2,0,0]=4 11912 B19R2.151669 Fc1ccc(nc1)CNCCC2CCCCCC2 2230a_100011532351_100000703193 [0,1,0,0,0,1|2,0,0]=4 11913 B19R2.151669 Fc1ccc(nc1)CNCCC2CCCCCC2 270004a_100011532351_100011934744 [0,1,0,0,0,1|2,0,0]=4 11914 B19R2.151669 Fc1ccc(nc1)CNCCC2CCCCCC2 34a_100011532351_100000703193 [0,1,0,0,0,1|2,0,0]=4 11915 B19R2.151669 Ic1ccc(cc1)CCOCC2CCCCCC2 34a_100012291149_200000696569 [0,1,0,0,0,1|1,0,0]=3 11916 B19R2.151669 Ic1ccc(cc1)CCOCC2CCCCCC2 7a_100012291149_200000696569 [0,1,0,0,0,1|1,0,0]=3 11917 B19R2.151669 Ic1ccc(cc1)CNCCC2CCCCCC2 207a_100011532351_100000188517 [0,1,0,0,0,1|1,0,0]=3 11918 B19R2.151669 Ic1ccc(cc1)CNCCC2CCCCCC2 2230a_100011532351_100000189116 [0,1,0,0,0,1|1,0,0]=3 11919 B19R2.151669 Ic1ccc(cc1)CNCCC2CCCCCC2 34a_100011532351_100000189116 [0,1,0,0,0,1|1,0,0]=3 11920 B19R2.151669 Ic1ccc(cc1)CNCCN2CCCCCC2 207a_100000738142_100000188517 [0,1,0,0,0,1|2,0,0]=4 11921 B19R2.151669 Ic1ccc(cc1)CNN=CC2CCCCCC2 4a_102495363730_200000763224 [0,1,0,0,0,1|1,0,1]=4 11922 B19R2.151669 Ic1ccc(cc1)COCCN2CCCCCC2 34a_100000238007_100000189116 [0,1,0,0,0,1|2,0,0]=4 11923 B19R2.151669 Ic1ccc(cc1)COCCN2CCCCCC2 7a_100000690907_100000722644 [0,1,0,0,0,1|2,0,0]=4 11924 B19R2.151669 Ic1ccc(cc1)CSCCN2CCCCCC2 62a_100000189116_100000722644 [0,1,0,0,0,1|2,0,0]=4 11925 B19R2.151669 Ic1ccc(cc1)CSCCN2CCCCCC2 62a_100000722644_100000189116 [0,1,0,0,0,1|2,0,0]=4 11926 B19R2.151669 Nc1ccc(cc1)CCOCC2CCCCCC2 34a_100011204434_200000696569 [0,1,0,0,0,1|1,0,0]=3 11927 B19R2.151669 Nc1ccc(cc1)OCCOC2CCCCCC2 34a_100000754363_100011217769 [0,1,0,0,0,1|1,0,0]=3 11928 B19R2.151669 Nc1ccc(nc1)OCCOC2CCCCCC2 34a_100102662783_100011217769 [0,1,0,0,0,1|2,0,0]=4 11929 B19R2.151669 Oc1ccc(cc1)CCNCC2CCCCCC2 2230a_100015204231_100009816426 [0,1,0,0,0,1|0,0,0]=2 11930 B19R2.151669 Oc1ccc(cc1)CCNCC2CCCCCC2 269862a_100000743037_200000763224 [0,1,0,0,0,1|0,0,0]=2 11931 B19R2.151669 Oc1ccc(cc1)CCNCC2CCCCCC2 34a_100000743037_200000696569 [0,1,0,0,0,1|0,0,0]=2 11932 B19R2.151669 Oc1ccc(cc1)CCOCC2CCCCCC2 7a_100000699130_100009816426 [0,1,0,0,0,1|1,0,0]=3 11933 B19R2.151669 Oc1ccc(cc1)CCSCC2CCCCCC2 62a_100009816426_200000696569 [0,1,0,0,0,1|1,0,0]=3 11934 B19R2.151669 Oc1ccc(cc1)CCSCC2CCCCCC2 62a_200000696569_100009816426 [0,1,0,0,0,1|1,0,0]=3 11935 B19R2.151669 Oc1ccc(cn1)CNCCC2CCCCCC2 207a_100011532351_100011361521 [0,1,0,0,0,1|2,0,0]=4 11936 B19R2.210921 CC(C#Cc1ccccc1)OC2CCCCCC2 34a_200000065209_100011217769 [0,1,0,0,0,1|1,0,1]=4 11937 B19R2.210921 CC(CCc1ccccc1)NC2CCCCCC2 270004a_100000210798_100000210131 [0,1,0,0,0,1|0,0,0]=2 11938 B19R2.210921 CC(CCc1ccccc1)NC2CCCCCC2 270004a_100000210984_100000210092 [0,1,0,0,0,1|0,0,0]=2 11939 B19R2.210921 CC(CCc1ccccc1)NC2CCCCCC2 34a_100000210798_100011217769 [0,1,0,0,0,1|0,0,0]=2 11940 B19R2.210921 CC(CCc1ccccc1)NC2CCCNCC2 270004a_100000210798_100015187895 [0,1,0,0,0,1|1,0,0]=3 11941 B19R2.210921 CC(CCc1ccccc1)NC2CSCCSC2 270004a_100000210798_100000068409 [0,1,0,0,0,1|2,0,0]=4 11942 B19R2.210921 CC(COc1ccccc1)NC2CCCCCC2 270004a_100000210984_100000150576 [0,1,0,0,0,1|0,0,0]=2 11943 B19R2.210921 CC(COc1ccccc1)NC2CCCCCC2 270004a_100000746794_100000210131 [0,1,0,0,0,1|0,0,0]=2 11944 B19R2.210921 CC(COc1ccccc1)NC2CCCCCC2 34a_100000746794_100011217769 [0,1,0,0,0,1|0,0,0]=2 11945 B19R2.210921 CC(COc1ccccc1)NC2CCCNCC2 270004a_100000746794_100015187895 [0,1,0,0,0,1|1,0,0]=3 11946 B19R2.210921 CC(COc1ccccc1)NC2CSCCSC2 270004a_100000746794_100000068409 [0,1,0,0,0,1|2,0,0]=4 11947 B19R2.210921 CC(COc1ccccc1)OC2CCCCCC2 34a_100000210911_100011217769 [0,1,0,0,0,1|1,0,0]=3 11948 B19R2.210921 CC(CSc1ccccc1)NC2CCCCCC2 270004a_100000210984_100000150717 [0,1,0,0,0,1|0,0,0]=2 11949 B19R2.210921 CN(CCc1ccccc1)CC2CCCCCC2 2230a_100000207497_200000696569 [0,1,0,0,0,1|0,0,0]=2 11950 B19R2.210921 CN(CCc1ccccc1)CC2CCCCCC2 269982a_100000207497_200000696569 [0,1,0,0,0,1|0,0,0]=2 11951 B19R2.210921 CN(CCc1ccccn1)CC2CCCCCC2 2230a_100000737206_200000696569 [0,1,0,0,0,1|1,0,0]=3 11952 B19R2.210921 CN(CCc1ccccn1)CC2CCCCCC2 269982a_100000737206_200000696569 [0,1,0,0,0,1|1,0,0]=3 11953 B19R2.210921 CN(CCc1cccnc1)CC2CCCCCC2 2230a_100000763209_200000696569 [0,1,0,0,0,1|1,0,0]=3 11954 B19R2.210921 CN(CCc1cccnc1)CC2CCCCCC2 269982a_100000763209_200000696569 [0,1,0,0,0,1|1,0,0]=3 11955 B19R2.210921 CN(CCc1ccncc1)CC2CCCCCC2 2230a_100000742850_200000696569 [0,1,0,0,0,1|1,0,0]=3 11956 B19R2.210921 CN(CCc1ccncc1)CC2CCCCCC2 269982a_100000742850_200000696569 [0,1,0,0,0,1|1,0,0]=3 11957 B19R2.210921 C[C@@H](CCc1ccccc1)OC2CCCCCC2 34a_100009815974_100011217769 [0,1,0,0,0,1|1,0,0]=3 11958 B19R2.210921 O=C(C#Cc1ccccc1)NC2CCCCCC2 240690a_100000210984_100000736102 [0,1,0,0,0,1|0,0,2]=4 11959 B19R2.210921 O=C(C=C1CCCCCC1)CCc2ccccc2 1458a_100011240665_100000765856 [0,1,0,0,0,1|1,0,1]=4 11960 B19R2.210921 O=C(C=Cc1ccccc1)NC2CCCCCC2 11a_100000210984_100000210462 [0,1,0,0,0,1|0,0,2]=4 11961 B19R2.210921 O=C(C=Cc1ccccc1)NC2CCCCCC2 1626a_100000210984_100000210462 [0,1,0,0,0,1|0,0,2]=4 11962 B19R2.210921 O=C(CC1CCCCCC1)NCc2ccccc2 11a_100015324214_100000685095 [0,1,0,0,0,1|1,0,1]=4 11963 B19R2.210921 O=C(CC1CCCCCC1)NCc2ccccc2 1626a_100015324214_100000685095 [0,1,0,0,0,1|1,0,1]=4 11964 B19R2.210921 O=C(CC1CCCCCC1)NCc2ccccc2 240690a_100015324214_100000685095 [0,1,0,0,0,1|1,0,1]=4 11965 B19R2.210921 O=C(CC1CCCCCC1)NCc2ccccc2 527a_100015324214_100000685095 [0,1,0,0,0,1|1,0,1]=4 11966 B19R2.210921 O=C(CCc1ccccc1)CC2CCCCCC2 1458a_100000185753_200000696569 [0,1,0,0,0,1|1,0,0]=3 11967 B19R2.210921 O=C(CCc1ccccc1)CC2CCCCCC2 1458a_100000685095_100000765856 [0,1,0,0,0,1|1,0,0]=3 11968 B19R2.210921 O=C(CCc1ccccc1)CN2CCCCCC2 1458a_100000740298_100000765856 [0,1,0,0,0,1|2,0,0]=4 11969 B19R2.210921 O=C(CCc1ccccc1)CN2CCCCCC2 2230a_100000185865_100012361361 [0,1,0,0,0,1|2,0,0]=4 11970 B19R2.210921 O=C(CCc1ccccc1)CN2CCCCCC2 269982a_100000185865_100012361361 [0,1,0,0,0,1|2,0,0]=4 11971 B19R2.210921 O=C(CCc1ccccc1)CN2CCCCCC2 34a_100000185865_100012361361 [0,1,0,0,0,1|2,0,0]=4 11972 B19R2.210921 O=C(CCc1ccccc1)NC2CCCCCC2 11a_100000210984_100000185753 [0,1,0,0,0,1|0,0,0]=2 11973 B19R2.210921 O=C(CCc1ccccc1)NC2CCCCCC2 1626a_100000210984_100000185753 [0,1,0,0,0,1|0,0,0]=2 11974 B19R2.210921 O=C(CCc1ccccc1)NC2CCCCCC2 240690a_100000210984_100000185753 [0,1,0,0,0,1|0,0,0]=2 11975 B19R2.210921 O=C(CCc1ccccc1)NC2CCCCCC2 527a_100000210984_100000185753 [0,1,0,0,0,1|0,0,0]=2 11976 B19R2.210921 O=C(CCc1ccccn1)CC2CCCCCC2 1458a_100000685095_100015183660 [0,1,0,0,0,1|2,0,0]=4 11977 B19R2.210921 O=C(CCc1ccccn1)CC2CCCCCC2 1458a_100015195070_200000696569 [0,1,0,0,0,1|2,0,0]=4 11978 B19R2.210921 O=C(CCc1ccccn1)NC2CCCCCC2 11a_100000210984_100015195070 [0,1,0,0,0,1|1,0,0]=3 11979 B19R2.210921 O=C(CCc1ccccn1)NC2CCCCCC2 240690a_100000210984_100015195070 [0,1,0,0,0,1|1,0,0]=3 11980 B19R2.210921 O=C(CCc1ccccn1)NC2CCCCCC2 527a_100000210984_100015195070 [0,1,0,0,0,1|1,0,0]=3 11981 B19R2.210921 O=C(CCc1cccnc1)CC2CCCCCC2 1458a_100000198484_200000696569 [0,1,0,0,0,1|2,0,0]=4 11982 B19R2.210921 O=C(CCc1cccnc1)CC2CCCCCC2 1458a_100000685095_200011713674 [0,1,0,0,0,1|2,0,0]=4 11983 B19R2.210921 O=C(CCc1cccnc1)NC2CCCCCC2 11a_100000210984_100000198484 [0,1,0,0,0,1|1,0,0]=3 11984 B19R2.210921 O=C(CCc1cccnc1)NC2CCCCCC2 1626a_100000210984_100000198484 [0,1,0,0,0,1|1,0,0]=3 11985 B19R2.210921 O=C(CCc1cccnc1)NC2CCCCCC2 240690a_100000210984_100000198484 [0,1,0,0,0,1|1,0,0]=3 11986 B19R2.210921 O=C(CCc1cccnc1)NC2CCCCCC2 527a_100000210984_100000198484 [0,1,0,0,0,1|1,0,0]=3 11987 B19R2.210921 O=C(CCc1ccncc1)CC2CCCCCC2 1458a_100000685095_100000723409 [0,1,0,0,0,1|2,0,0]=4 11988 B19R2.210921 O=C(CCc1ccncc1)CC2CCCCCC2 1458a_100011225043_200000696569 [0,1,0,0,0,1|2,0,0]=4 11989 B19R2.210921 O=C(CCc1ccncc1)NC2CCCCCC2 11a_100000210984_100011225043 [0,1,0,0,0,1|1,0,0]=3 11990 B19R2.210921 O=C(CCc1ccncc1)NC2CCCCCC2 240690a_100000210984_100011225043 [0,1,0,0,0,1|1,0,0]=3 11991 B19R2.210921 O=C(CCc1ccncc1)NC2CCCCCC2 527a_100000210984_100011225043 [0,1,0,0,0,1|1,0,0]=3 11992 B19R2.210921 O=C(CNc1ccccc1)NC2CCCCCC2 34a_100000106764_100000183474 [0,1,0,0,0,1|0,0,1]=3 11993 B19R2.210921 O=C(COc1ccccc1)CC2CCCCCC2 1458a_100000186222_200000696569 [0,1,0,0,0,1|1,0,1]=4 11994 B19R2.210921 O=C(COc1ccccc1)NC2CCCCCC2 11a_100000210984_100000186222 [0,1,0,0,0,1|0,0,1]=3 11995 B19R2.210921 O=C(COc1ccccc1)NC2CCCCCC2 1626a_100000210984_100000186222 [0,1,0,0,0,1|0,0,1]=3 11996 B19R2.210921 O=C(COc1ccccc1)NC2CCCCCC2 240690a_100000210984_100000186222 [0,1,0,0,0,1|0,0,1]=3 11997 B19R2.210921 O=C(COc1ccccc1)NC2CCCCCC2 34a_100000210340_100000183474 [0,1,0,0,0,1|0,0,1]=3 11998 B19R2.210921 O=C(COc1ccccc1)NC2CCCCCC2 527a_100000210984_100000186222 [0,1,0,0,0,1|0,0,1]=3 11999 B19R2.210921 O=C(COc1ccccc1)NC2CCCCCC2 7a_100000210340_100000183474 [0,1,0,0,0,1|0,0,1]=3 12000 B19R2.210921 O=C(COc1ccccn1)NC2CCCCCC2 1626a_100000210984_100102699861 [0,1,0,0,0,1|1,0,1]=4 12001 B19R2.210921 O=C(COc1ccccn1)NC2CCCCCC2 240690a_100000210984_100102699861 [0,1,0,0,0,1|1,0,1]=4 12002 B19R2.210921 O=C(COc1ccccn1)NC2CCCCCC2 527a_100000210984_100102699861 [0,1,0,0,0,1|1,0,1]=4 12003 B19R2.210921 O=C(COc1cccnc1)NC2CCCCCC2 11a_100000210984_100015207166 [0,1,0,0,0,1|1,0,1]=4 12004 B19R2.210921 O=C(COc1cccnc1)NC2CCCCCC2 1626a_100000210984_100015207166 [0,1,0,0,0,1|1,0,1]=4 12005 B19R2.210921 O=C(COc1cccnc1)NC2CCCCCC2 240690a_100000210984_100015207166 [0,1,0,0,0,1|1,0,1]=4 12006 B19R2.210921 O=C(COc1cccnc1)NC2CCCCCC2 34a_100000210849_100000183474 [0,1,0,0,0,1|1,0,1]=4 12007 B19R2.210921 O=C(COc1cccnc1)NC2CCCCCC2 527a_100000210984_100015207166 [0,1,0,0,0,1|1,0,1]=4 12008 B19R2.210921 O=C(COc1cccnc1)NC2CCCCCC2 7a_100000210849_100000183474 [0,1,0,0,0,1|1,0,1]=4 12009 B19R2.210921 O=C(COc1ccncc1)NC2CCCCCC2 34a_100000212176_100000183474 [0,1,0,0,0,1|1,0,1]=4 12010 B19R2.210921 O=C(CSc1ccccc1)CC2CCCCCC2 1458a_100000211596_200000696569 [0,1,0,0,0,1|1,0,1]=4 12011 B19R2.210921 O=C(CSc1ccccc1)NC2CCCCCC2 11a_100000210984_100000211596 [0,1,0,0,0,1|0,0,1]=3 12012 B19R2.210921 O=C(CSc1ccccc1)NC2CCCCCC2 1626a_100000210984_100000211596 [0,1,0,0,0,1|0,0,1]=3 12013 B19R2.210921 O=C(CSc1ccccc1)NC2CCCCCC2 240690a_100000210984_100000211596 [0,1,0,0,0,1|0,0,1]=3 12014 B19R2.210921 O=C(CSc1ccccc1)NC2CCCCCC2 527a_100000210984_100000211596 [0,1,0,0,0,1|0,0,1]=3 12015 B19R2.210921 O=C(CSc1ccccc1)NC2CCCCCC2 62a_100000183474_100000041952 [0,1,0,0,0,1|0,0,1]=3 12016 B19R2.210921 O=C(CSc1ccccc1)NC2CCCCCC2 62a_100000719477_100000183474 [0,1,0,0,0,1|0,0,1]=3 12017 B19R2.210921 O=C(CSc1ccccn1)NC2CCCCCC2 11a_100000210984_100000156281 [0,1,0,0,0,1|1,0,1]=4 12018 B19R2.210921 O=C(CSc1ccccn1)NC2CCCCCC2 240690a_100000210984_100000156281 [0,1,0,0,0,1|1,0,1]=4 12019 B19R2.210921 O=C(CSc1ccccn1)NC2CCCCCC2 527a_100000210984_100000156281 [0,1,0,0,0,1|1,0,1]=4 12020 B19R2.210921 O=C(CSc1ccccn1)NC2CCCCCC2 62a_100000183474_100011216584 [0,1,0,0,0,1|1,0,1]=4 12021 B19R2.210921 O=C(CSc1ccccn1)NC2CCCCCC2 62a_100011216584_100000183474 [0,1,0,0,0,1|1,0,1]=4 12022 B19R2.210921 O=C(CSc1cccnc1)NC2CCCCCC2 62a_100000183474_100000210063 [0,1,0,0,0,1|1,0,1]=4 12023 B19R2.210921 O=C(CSc1cccnc1)NC2CCCCCC2 62a_100000210063_100000183474 [0,1,0,0,0,1|1,0,1]=4 12024 B19R2.210921 O=C(CSc1ccncc1)NC2CCCCCC2 11a_100000210984_100000211328 [0,1,0,0,0,1|1,0,1]=4 12025 B19R2.210921 O=C(CSc1ccncc1)NC2CCCCCC2 1626a_100000210984_100000211328 [0,1,0,0,0,1|1,0,1]=4 12026 B19R2.210921 O=C(CSc1ccncc1)NC2CCCCCC2 240690a_100000210984_100000211328 [0,1,0,0,0,1|1,0,1]=4 12027 B19R2.210921 O=C(CSc1ccncc1)NC2CCCCCC2 527a_100000210984_100000211328 [0,1,0,0,0,1|1,0,1]=4 12028 B19R2.210921 O=C(CSc1ccncc1)NC2CCCCCC2 62a_100000183474_100000728582 [0,1,0,0,0,1|1,0,1]=4 12029 B19R2.210921 O=C(CSc1ccncc1)NC2CCCCCC2 62a_100000728582_100000183474 [0,1,0,0,0,1|1,0,1]=4 12030 B19R2.210921 O=C(NCc1ccccc1)NC2CCCCCC2 2708a_100000210984_100015324214 [0,1,0,0,0,1|0,0,1]=3 12031 B19R2.210921 O=C(NCc1ccccc1)NC2CCCCCC2 2708a_100015324214_100000210984 [0,1,0,0,0,1|0,0,1]=3 12032 B19R2.210921 O=C(NCc1ccccc1)NC2CCCCCC2 273464a_100000210984_100015324214 [0,1,0,0,0,1|0,0,1]=3 12033 B19R2.210921 O=C(NCc1ccccc1)NC2CCCCCC2 273464a_100015324214_100000210984 [0,1,0,0,0,1|0,0,1]=3 12034 B19R2.210921 O=C(NCc1ccccc1)NC2CCCCCC2 512a_100015324214_100000210984 [0,1,0,0,0,1|0,0,1]=3 12035 B19R2.210921 O=C(NCc1ccccn1)NC2CCCCCC2 2708a_100000210449_100000210984 [0,1,0,0,0,1|1,0,1]=4 12036 B19R2.210921 O=C(NCc1ccccn1)NC2CCCCCC2 2708a_100000210984_100000210449 [0,1,0,0,0,1|1,0,1]=4 12037 B19R2.210921 O=C(NCc1ccccn1)NC2CCCCCC2 273464a_100000210449_100000210984 [0,1,0,0,0,1|1,0,1]=4 12038 B19R2.210921 O=C(NCc1ccccn1)NC2CCCCCC2 273464a_100000210984_100000210449 [0,1,0,0,0,1|1,0,1]=4 12039 B19R2.210921 O=C(NCc1cccnc1)NC2CCCCCC2 2708a_100000210453_100000210984 [0,1,0,0,0,1|1,0,1]=4 12040 B19R2.210921 O=C(NCc1cccnc1)NC2CCCCCC2 2708a_100000210984_100000210453 [0,1,0,0,0,1|1,0,1]=4 12041 B19R2.210921 O=C(NCc1cccnc1)NC2CCCCCC2 273464a_100000210453_100000210984 [0,1,0,0,0,1|1,0,1]=4 12042 B19R2.210921 O=C(NCc1cccnc1)NC2CCCCCC2 273464a_100000210984_100000210453 [0,1,0,0,0,1|1,0,1]=4 12043 B19R2.210921 O=C(NCc1cccnc1)NC2CCCCCC2 512a_100000210453_100000210984 [0,1,0,0,0,1|1,0,1]=4 12044 B19R2.210921 O=C(NCc1ccncc1)NC2CCCCCC2 2708a_100000210450_100000210984 [0,1,0,0,0,1|1,0,1]=4 12045 B19R2.210921 O=C(NCc1ccncc1)NC2CCCCCC2 2708a_100000210984_100000210450 [0,1,0,0,0,1|1,0,1]=4 12046 B19R2.210921 O=C(NCc1ccncc1)NC2CCCCCC2 273464a_100000210450_100000210984 [0,1,0,0,0,1|1,0,1]=4 12047 B19R2.210921 O=C(NCc1ccncc1)NC2CCCCCC2 273464a_100000210984_100000210450 [0,1,0,0,0,1|1,0,1]=4 12048 B19R2.210921 O=C(NNc1ccccc1)NC2CCCCCC2 273464a_100000210984_100015195140 [0,1,0,0,0,1|1,0,1]=4 12049 B19R2.483308 Brc1cc(ccn1)CNCCC2CCCCCC2 2230a_100011532351_100010243470 [0,1,0,0,0,1|2,0,0]=4 12050 B19R2.483308 Brc1cc(ccn1)CNCCC2CCCCCC2 270004a_100011532351_100009814634 [0,1,0,0,0,1|2,0,0]=4 12051 B19R2.483308 Brc1cc(ccn1)CNCCC2CCCCCC2 34a_100011532351_100010243470 [0,1,0,0,0,1|2,0,0]=4 12052 B19R2.483308 Brc1cccc(c1)C#CCNC2CCCCCC2 2230a_100000210984_100010706776 [0,1,0,0,0,1|0,0,1]=3 12053 B19R2.483308 Brc1cccc(c1)C#CCNC2CCCCCC2 34a_100000210984_100010706776 [0,1,0,0,0,1|0,0,1]=3 12054 B19R2.483308 Brc1cccc(c1)C#CCOC2CCCCCC2 34a_100000210887_100010706776 [0,1,0,0,0,1|1,0,1]=4 12055 B19R2.483308 Brc1cccc(c1)C#CCOC2CCCCCC2 34a_100009814051_100011217769 [0,1,0,0,0,1|1,0,1]=4 12056 B19R2.483308 Brc1cccc(c1)C#CCOC2CCCCCC2 7a_100000210887_100010706776 [0,1,0,0,0,1|1,0,1]=4 12057 B19R2.483308 Brc1cccc(c1)C#CCSC2CCCCCC2 62a_100010706776_100011217769 [0,1,0,0,0,1|1,0,1]=4 12058 B19R2.483308 Brc1cccc(c1)C#CCSC2CCCCCC2 62a_100011217769_100010706776 [0,1,0,0,0,1|1,0,1]=4 12059 B19R2.483308 Brc1cccc(c1)CCCNC2CCCCCC2 2230a_100000210984_100011713683 [0,1,0,0,0,1|0,0,0]=2 12060 B19R2.483308 Brc1cccc(c1)CCCNC2CCCCCC2 270004a_100000753791_100000210131 [0,1,0,0,0,1|0,0,0]=2 12061 B19R2.483308 Brc1cccc(c1)CCCNC2CCCCCC2 34a_100000210984_100011713683 [0,1,0,0,0,1|0,0,0]=2 12062 B19R2.483308 Brc1cccc(c1)CCCNC2CCCCCC2 34a_100000753791_100011217769 [0,1,0,0,0,1|0,0,0]=2 12063 B19R2.483308 Brc1cccc(c1)CCCNC2CCCNCC2 270004a_100000753791_100015187895 [0,1,0,0,0,1|1,0,0]=3 12064 B19R2.483308 Brc1cccc(c1)CCCNC2CSCCSC2 270004a_100000753791_100000068409 [0,1,0,0,0,1|2,0,0]=4 12065 B19R2.483308 Brc1cccc(c1)CCCOC2CCCCCC2 34a_100000210887_100011713683 [0,1,0,0,0,1|1,0,0]=3 12066 B19R2.483308 Brc1cccc(c1)CCCOC2CCCCCC2 34a_100011709248_100011217769 [0,1,0,0,0,1|1,0,0]=3 12067 B19R2.483308 Brc1cccc(c1)CCCOC2CCCCCC2 7a_100000210887_100011713683 [0,1,0,0,0,1|1,0,0]=3 12068 B19R2.483308 Brc1cccc(c1)CCCSC2CCCCCC2 62a_100011217769_100011713683 [0,1,0,0,0,1|1,0,0]=3 12069 B19R2.483308 Brc1cccc(c1)CCCSC2CCCCCC2 62a_100011713683_100011217769 [0,1,0,0,0,1|1,0,0]=3 12070 B19R2.483308 Brc1cccc(c1)CCNCC2CCCCCC2 2230a_100011207229_200000696569 [0,1,0,0,0,1|0,0,0]=2 12071 B19R2.483308 Brc1cccc(c1)CCNCC2CCCCCC2 2230a_100015204231_100011740638 [0,1,0,0,0,1|0,0,0]=2 12072 B19R2.483308 Brc1cccc(c1)CCNCC2CCCCCC2 269862a_100011207229_200000763224 [0,1,0,0,0,1|0,0,0]=2 12073 B19R2.483308 Brc1cccc(c1)CCNCC2CCCCCC2 34a_100011207229_200000696569 [0,1,0,0,0,1|0,0,0]=2 12074 B19R2.483308 Brc1cccc(c1)CCNCC2CCCCCC2 34a_100015204231_100011740638 [0,1,0,0,0,1|0,0,0]=2 12075 B19R2.483308 Brc1cccc(c1)CCOCC2CCCCCC2 34a_100000699130_100011740638 [0,1,0,0,0,1|1,0,0]=3 12076 B19R2.483308 Brc1cccc(c1)CCOCC2CCCCCC2 34a_100011217444_200000696569 [0,1,0,0,0,1|1,0,0]=3 12077 B19R2.483308 Brc1cccc(c1)CCOCC2CCCCCC2 7a_100000699130_100011740638 [0,1,0,0,0,1|1,0,0]=3 12078 B19R2.483308 Brc1cccc(c1)CCOCC2CCCCCC2 7a_100011217444_200000696569 [0,1,0,0,0,1|1,0,0]=3 12079 B19R2.483308 Brc1cccc(c1)CCSCC2CCCCCC2 62a_100011740638_200000696569 [0,1,0,0,0,1|1,0,0]=3 12080 B19R2.483308 Brc1cccc(c1)CCSCC2CCCCCC2 62a_200000696569_100011740638 [0,1,0,0,0,1|1,0,0]=3 12081 B19R2.483308 Brc1cccc(c1)CNCCC2CCCCCC2 207a_100011532351_100000210085 [0,1,0,0,0,1|1,0,0]=3 12082 B19R2.483308 Brc1cccc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000698116 [0,1,0,0,0,1|1,0,0]=3 12083 B19R2.483308 Brc1cccc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000210085 [0,1,0,0,0,1|1,0,0]=3 12084 B19R2.483308 Brc1cccc(c1)CNCCC2CCCCCC2 34a_100011532351_100000698116 [0,1,0,0,0,1|1,0,0]=3 12085 B19R2.483308 Brc1cccc(c1)CNCCN2CCCCCC2 207a_100000738142_100000210085 [0,1,0,0,0,1|2,0,0]=4 12086 B19R2.483308 Brc1cccc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000210085 [0,1,0,0,0,1|2,0,0]=4 12087 B19R2.483308 Brc1cccc(c1)CNN=CC2CCCCCC2 4a_100000686200_200000763224 [0,1,0,0,0,1|1,0,1]=4 12088 B19R2.483308 Brc1cccc(c1)COCCN2CCCCCC2 34a_100000238007_100000698116 [0,1,0,0,0,1|2,0,0]=4 12089 B19R2.483308 Brc1cccc(c1)COCCN2CCCCCC2 7a_100000687537_100000722644 [0,1,0,0,0,1|2,0,0]=4 12090 B19R2.483308 Brc1cccc(c1)CSCCN2CCCCCC2 62a_100000211773_100000722644 [0,1,0,0,0,1|2,0,0]=4 12091 B19R2.483308 Brc1cccc(c1)CSCCN2CCCCCC2 62a_100000722644_100000211773 [0,1,0,0,0,1|2,0,0]=4 12092 B19R2.483308 Brc1cccc(c1)OCCNC2CCCCCC2 2230a_100000210984_100000183150 [0,1,0,0,0,1|0,0,0]=2 12093 B19R2.483308 Brc1cccc(c1)OCCNC2CCCCCC2 270004a_100000743521_100000210131 [0,1,0,0,0,1|0,0,0]=2 12094 B19R2.483308 Brc1cccc(c1)OCCNC2CCCCCC2 34a_100000210984_100000183150 [0,1,0,0,0,1|0,0,0]=2 12095 B19R2.483308 Brc1cccc(c1)OCCNC2CCCCCC2 34a_100000743521_100011217769 [0,1,0,0,0,1|0,0,0]=2 12096 B19R2.483308 Brc1cccc(c1)OCCNC2CCCNCC2 270004a_100000743521_100015187895 [0,1,0,0,0,1|1,0,0]=3 12097 B19R2.483308 Brc1cccc(c1)OCCNC2CSCCSC2 270004a_100000743521_100000068409 [0,1,0,0,0,1|2,0,0]=4 12098 B19R2.483308 Brc1cccc(c1)OCCOC2CCCCCC2 34a_100000210887_100000183150 [0,1,0,0,0,1|1,0,0]=3 12099 B19R2.483308 Brc1cccc(c1)OCCOC2CCCCCC2 34a_100000757546_100011217769 [0,1,0,0,0,1|1,0,0]=3 12100 B19R2.483308 Brc1cccc(c1)OCCOC2CCCCCC2 7a_100000210887_100000183150 [0,1,0,0,0,1|1,0,0]=3 12101 B19R2.483308 Brc1cccc(c1)OCCSC2CCCCCC2 62a_100000183150_100011217769 [0,1,0,0,0,1|1,0,0]=3 12102 B19R2.483308 Brc1cccc(c1)OCCSC2CCCCCC2 62a_100011217769_100000183150 [0,1,0,0,0,1|1,0,0]=3 12103 B19R2.483308 Brc1cccc(n1)CCOCC2CCCCCC2 34a_100010221043_200000696569 [0,1,0,0,0,1|2,0,0]=4 12104 B19R2.483308 Brc1cccc(n1)CCOCC2CCCCCC2 7a_100010221043_200000696569 [0,1,0,0,0,1|2,0,0]=4 12105 B19R2.483308 Brc1cccc(n1)CNCCC2CCCCCC2 2230a_100011532351_100009889011 [0,1,0,0,0,1|2,0,0]=4 12106 B19R2.483308 Brc1cccc(n1)CNCCC2CCCCCC2 270004a_100011532351_100000688028 [0,1,0,0,0,1|2,0,0]=4 12107 B19R2.483308 Brc1cccc(n1)CNCCC2CCCCCC2 34a_100011532351_100009889011 [0,1,0,0,0,1|2,0,0]=4 12108 B19R2.483308 Brc1ccnc(c1)CNCCC2CCCCCC2 2230a_100011532351_100010173614 [0,1,0,0,0,1|2,0,0]=4 12109 B19R2.483308 Brc1ccnc(c1)CNCCC2CCCCCC2 270004a_100011532351_100009818557 [0,1,0,0,0,1|2,0,0]=4 12110 B19R2.483308 Brc1ccnc(c1)CNCCC2CCCCCC2 34a_100011532351_100010173614 [0,1,0,0,0,1|2,0,0]=4 12111 B19R2.483308 Brc1cncc(c1)CNCCC2CCCCCC2 207a_100011532351_100000687066 [0,1,0,0,0,1|2,0,0]=4 12112 B19R2.483308 Brc1cncc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000738771 [0,1,0,0,0,1|2,0,0]=4 12113 B19R2.483308 Brc1cncc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000687066 [0,1,0,0,0,1|2,0,0]=4 12114 B19R2.483308 Brc1cncc(c1)CNCCC2CCCCCC2 34a_100011532351_100000738771 [0,1,0,0,0,1|2,0,0]=4 12115 B19R2.483308 Cc1cc(ccn1)CNCCC2CCCCCC2 207a_100011532351_100011361630 [0,1,0,0,0,1|2,0,0]=4 12116 B19R2.483308 Cc1cc(ccn1)CNCCC2CCCCCC2 2230a_100011532351_200020672517 [0,1,0,0,0,1|2,0,0]=4 12117 B19R2.483308 Cc1cc(ccn1)CNCCC2CCCCCC2 270004a_100011532351_100011361630 [0,1,0,0,0,1|2,0,0]=4 12118 B19R2.483308 Cc1cc(ccn1)CNCCC2CCCCCC2 34a_100011532351_200020672517 [0,1,0,0,0,1|2,0,0]=4 12119 B19R2.483308 Cc1cccc(c1)C=CCNC2CCCCCC2 270004a_100000210984_100102525846 [0,1,0,0,0,1|0,0,1]=3 12120 B19R2.483308 Cc1cccc(c1)CCCNC2CCCCCC2 270004a_103496528808_100000210131 [0,1,0,0,0,1|0,0,0]=2 12121 B19R2.483308 Cc1cccc(c1)CCCNC2CCCCCC2 34a_103496528808_100011217769 [0,1,0,0,0,1|0,0,0]=2 12122 B19R2.483308 Cc1cccc(c1)CCCNC2CCCNCC2 270004a_103496528808_100015187895 [0,1,0,0,0,1|1,0,0]=3 12123 B19R2.483308 Cc1cccc(c1)CCCNC2CSCCSC2 270004a_103496528808_100000068409 [0,1,0,0,0,1|2,0,0]=4 12124 B19R2.483308 Cc1cccc(c1)CCNCC2CCCCCC2 2230a_100000749837_200000696569 [0,1,0,0,0,1|0,0,0]=2 12125 B19R2.483308 Cc1cccc(c1)CCNCC2CCCCCC2 2230a_100015204231_100011713685 [0,1,0,0,0,1|0,0,0]=2 12126 B19R2.483308 Cc1cccc(c1)CCNCC2CCCCCC2 269862a_100000749837_200000763224 [0,1,0,0,0,1|0,0,0]=2 12127 B19R2.483308 Cc1cccc(c1)CCNCC2CCCCCC2 34a_100000749837_200000696569 [0,1,0,0,0,1|0,0,0]=2 12128 B19R2.483308 Cc1cccc(c1)CCNCC2CCCCCC2 34a_100015204231_100011713685 [0,1,0,0,0,1|0,0,0]=2 12129 B19R2.483308 Cc1cccc(c1)CCOCC2CCCCCC2 34a_100000699130_100011713685 [0,1,0,0,0,1|1,0,0]=3 12130 B19R2.483308 Cc1cccc(c1)CCOCC2CCCCCC2 34a_100011217157_200000696569 [0,1,0,0,0,1|1,0,0]=3 12131 B19R2.483308 Cc1cccc(c1)CCOCC2CCCCCC2 7a_100000699130_100011713685 [0,1,0,0,0,1|1,0,0]=3 12132 B19R2.483308 Cc1cccc(c1)CCOCC2CCCCCC2 7a_100011217157_200000696569 [0,1,0,0,0,1|1,0,0]=3 12133 B19R2.483308 Cc1cccc(c1)CCSCC2CCCCCC2 62a_100011713685_200000696569 [0,1,0,0,0,1|1,0,0]=3 12134 B19R2.483308 Cc1cccc(c1)CCSCC2CCCCCC2 62a_200000696569_100011713685 [0,1,0,0,0,1|1,0,0]=3 12135 B19R2.483308 Cc1cccc(c1)CNCCC2CCCCCC2 207a_100011532351_100000211157 [0,1,0,0,0,1|1,0,0]=3 12136 B19R2.483308 Cc1cccc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000211840 [0,1,0,0,0,1|1,0,0]=3 12137 B19R2.483308 Cc1cccc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000211157 [0,1,0,0,0,1|1,0,0]=3 12138 B19R2.483308 Cc1cccc(c1)CNCCC2CCCCCC2 34a_100011532351_100000211840 [0,1,0,0,0,1|1,0,0]=3 12139 B19R2.483308 Cc1cccc(c1)CNCCN2CCCCCC2 207a_100000738142_100000211157 [0,1,0,0,0,1|2,0,0]=4 12140 B19R2.483308 Cc1cccc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000211157 [0,1,0,0,0,1|2,0,0]=4 12141 B19R2.483308 Cc1cccc(c1)COCCN2CCCCCC2 34a_100000238007_100000211840 [0,1,0,0,0,1|2,0,0]=4 12142 B19R2.483308 Cc1cccc(c1)COCCN2CCCCCC2 7a_100011217746_100000722644 [0,1,0,0,0,1|2,0,0]=4 12143 B19R2.483308 Cc1cccc(c1)CSCCN2CCCCCC2 62a_100000211840_100000722644 [0,1,0,0,0,1|2,0,0]=4 12144 B19R2.483308 Cc1cccc(c1)CSCCN2CCCCCC2 62a_100000722644_100000211840 [0,1,0,0,0,1|2,0,0]=4 12145 B19R2.483308 Cc1cccc(c1)OCCCN2CCCCCC2 2230a_100000185865_100000212303 [0,1,0,0,0,1|2,0,0]=4 12146 B19R2.483308 Cc1cccc(c1)OCCCN2CCCCCC2 269982a_100000185865_100000212303 [0,1,0,0,0,1|2,0,0]=4 12147 B19R2.483308 Cc1cccc(c1)OCCCN2CCCCCC2 34a_100000185865_100000212303 [0,1,0,0,0,1|2,0,0]=4 12148 B19R2.483308 Cc1cccc(c1)OCCNC2CCCCCC2 270004a_100015185188_100000210131 [0,1,0,0,0,1|0,0,0]=2 12149 B19R2.483308 Cc1cccc(c1)OCCNC2CCCCCC2 34a_100015185188_100011217769 [0,1,0,0,0,1|0,0,0]=2 12150 B19R2.483308 Cc1cccc(c1)OCCNC2CCCNCC2 270004a_100015185188_100015187895 [0,1,0,0,0,1|1,0,0]=3 12151 B19R2.483308 Cc1cccc(c1)OCCNC2CSCCSC2 270004a_100015185188_100000068409 [0,1,0,0,0,1|2,0,0]=4 12152 B19R2.483308 Cc1cccc(c1)OCCOC2CCCCCC2 34a_200011215094_100011217769 [0,1,0,0,0,1|1,0,0]=3 12153 B19R2.483308 Cc1cccc(c1)SCCOC2CCCCCC2 34a_200011432187_100011217769 [0,1,0,0,0,1|1,0,0]=3 12154 B19R2.483308 Cc1cccc(n1)CCCOC2CCCCCC2 34a_100000211354_100011217769 [0,1,0,0,0,1|2,0,0]=4 12155 B19R2.483308 Cc1cccc(n1)CCNCC2CCCCCC2 2230a_100011824523_200000696569 [0,1,0,0,0,1|1,0,0]=3 12156 B19R2.483308 Cc1cccc(n1)CCNCC2CCCCCC2 269862a_100011824523_200000763224 [0,1,0,0,0,1|1,0,0]=3 12157 B19R2.483308 Cc1cccc(n1)CCNCC2CCCCCC2 34a_100011824523_200000696569 [0,1,0,0,0,1|1,0,0]=3 12158 B19R2.483308 Cc1cccc(n1)CNCCC2CCCCCC2 207a_100011532351_100011215050 [0,1,0,0,0,1|2,0,0]=4 12159 B19R2.483308 Cc1cccc(n1)CNCCC2CCCCCC2 2230a_100011532351_100000757606 [0,1,0,0,0,1|2,0,0]=4 12160 B19R2.483308 Cc1cccc(n1)CNCCC2CCCCCC2 270004a_100011532351_100011215050 [0,1,0,0,0,1|2,0,0]=4 12161 B19R2.483308 Cc1cccc(n1)CNCCC2CCCCCC2 34a_100011532351_100000757606 [0,1,0,0,0,1|2,0,0]=4 12162 B19R2.483308 Cc1ccnc(c1)CNCCC2CCCCCC2 207a_100011532351_100011361488 [0,1,0,0,0,1|2,0,0]=4 12163 B19R2.483308 Cc1ccnc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000718516 [0,1,0,0,0,1|2,0,0]=4 12164 B19R2.483308 Cc1ccnc(c1)CNCCC2CCCCCC2 270004a_100011532351_100011361488 [0,1,0,0,0,1|2,0,0]=4 12165 B19R2.483308 Cc1ccnc(c1)CNCCC2CCCCCC2 34a_100011532351_100000718516 [0,1,0,0,0,1|2,0,0]=4 12166 B19R2.483308 Cc1cncc(c1)CNCCC2CCCCCC2 207a_100011532351_100011998712 [0,1,0,0,0,1|2,0,0]=4 12167 B19R2.483308 Cc1cncc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000716715 [0,1,0,0,0,1|2,0,0]=4 12168 B19R2.483308 Cc1cncc(c1)CNCCC2CCCCCC2 270004a_100011532351_100011998712 [0,1,0,0,0,1|2,0,0]=4 12169 B19R2.483308 Cc1cncc(c1)CNCCC2CCCCCC2 34a_100011532351_100000716715 [0,1,0,0,0,1|2,0,0]=4 12170 B19R2.483308 Clc1cc(ccn1)CNCCC2CCCCCC2 2230a_100011532351_100000764220 [0,1,0,0,0,1|2,0,0]=4 12171 B19R2.483308 Clc1cc(ccn1)CNCCC2CCCCCC2 270004a_100011532351_100011290808 [0,1,0,0,0,1|2,0,0]=4 12172 B19R2.483308 Clc1cc(ccn1)CNCCC2CCCCCC2 34a_100011532351_100000764220 [0,1,0,0,0,1|2,0,0]=4 12173 B19R2.483308 Clc1cccc(c1)C#CCOC2CCCCCC2 34a_100011218842_100011217769 [0,1,0,0,0,1|1,0,1]=4 12174 B19R2.483308 Clc1cccc(c1)C=CCNC2CCCCCC2 270004a_100000210984_100016268971 [0,1,0,0,0,1|0,0,1]=3 12175 B19R2.483308 Clc1cccc(c1)CCCNC2CCCCCC2 270004a_100000704586_100000210131 [0,1,0,0,0,1|0,0,0]=2 12176 B19R2.483308 Clc1cccc(c1)CCCNC2CCCCCC2 34a_100000704586_100011217769 [0,1,0,0,0,1|0,0,0]=2 12177 B19R2.483308 Clc1cccc(c1)CCCNC2CCCNCC2 270004a_100000704586_100015187895 [0,1,0,0,0,1|1,0,0]=3 12178 B19R2.483308 Clc1cccc(c1)CCCNC2CSCCSC2 270004a_100000704586_100000068409 [0,1,0,0,0,1|2,0,0]=4 12179 B19R2.483308 Clc1cccc(c1)CCCOC2CCCCCC2 34a_100011709246_100011217769 [0,1,0,0,0,1|1,0,0]=3 12180 B19R2.483308 Clc1cccc(c1)CCNCC2CCCCCC2 2230a_100000185263_200000696569 [0,1,0,0,0,1|0,0,0]=2 12181 B19R2.483308 Clc1cccc(c1)CCNCC2CCCCCC2 2230a_100015204231_100011713710 [0,1,0,0,0,1|0,0,0]=2 12182 B19R2.483308 Clc1cccc(c1)CCNCC2CCCCCC2 269862a_100000185263_200000763224 [0,1,0,0,0,1|0,0,0]=2 12183 B19R2.483308 Clc1cccc(c1)CCNCC2CCCCCC2 34a_100000185263_200000696569 [0,1,0,0,0,1|0,0,0]=2 12184 B19R2.483308 Clc1cccc(c1)CCNCC2CCCCCC2 34a_100015204231_100011713710 [0,1,0,0,0,1|0,0,0]=2 12185 B19R2.483308 Clc1cccc(c1)CCOCC2CCCCCC2 34a_100000699130_100011713710 [0,1,0,0,0,1|1,0,0]=3 12186 B19R2.483308 Clc1cccc(c1)CCOCC2CCCCCC2 34a_100000754733_200000696569 [0,1,0,0,0,1|1,0,0]=3 12187 B19R2.483308 Clc1cccc(c1)CCOCC2CCCCCC2 7a_100000699130_100011713710 [0,1,0,0,0,1|1,0,0]=3 12188 B19R2.483308 Clc1cccc(c1)CCOCC2CCCCCC2 7a_100000754733_200000696569 [0,1,0,0,0,1|1,0,0]=3 12189 B19R2.483308 Clc1cccc(c1)CCSCC2CCCCCC2 62a_100011713710_200000696569 [0,1,0,0,0,1|1,0,0]=3 12190 B19R2.483308 Clc1cccc(c1)CCSCC2CCCCCC2 62a_200000696569_100011713710 [0,1,0,0,0,1|1,0,0]=3 12191 B19R2.483308 Clc1cccc(c1)CNCCC2CCCCCC2 207a_100011532351_100000210801 [0,1,0,0,0,1|1,0,0]=3 12192 B19R2.483308 Clc1cccc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000181238 [0,1,0,0,0,1|1,0,0]=3 12193 B19R2.483308 Clc1cccc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000210801 [0,1,0,0,0,1|1,0,0]=3 12194 B19R2.483308 Clc1cccc(c1)CNCCC2CCCCCC2 34a_100011532351_100000187163 [0,1,0,0,0,1|1,0,0]=3 12195 B19R2.483308 Clc1cccc(c1)CNCCN2CCCCCC2 207a_100000738142_100000210801 [0,1,0,0,0,1|2,0,0]=4 12196 B19R2.483308 Clc1cccc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000210801 [0,1,0,0,0,1|2,0,0]=4 12197 B19R2.483308 Clc1cccc(c1)CNN=CC2CCCCCC2 4a_100000685877_200000763224 [0,1,0,0,0,1|1,0,1]=4 12198 B19R2.483308 Clc1cccc(c1)COCCN2CCCCCC2 34a_100000238007_100000187163 [0,1,0,0,0,1|2,0,0]=4 12199 B19R2.483308 Clc1cccc(c1)COCCN2CCCCCC2 7a_100000241301_100000722644 [0,1,0,0,0,1|2,0,0]=4 12200 B19R2.483308 Clc1cccc(c1)CSCCN2CCCCCC2 62a_100000187163_100000722644 [0,1,0,0,0,1|2,0,0]=4 12201 B19R2.483308 Clc1cccc(c1)CSCCN2CCCCCC2 62a_100000722644_100000187163 [0,1,0,0,0,1|2,0,0]=4 12202 B19R2.483308 Clc1cccc(c1)OCCCN2CCCCCC2 2230a_100000185865_100000742658 [0,1,0,0,0,1|2,0,0]=4 12203 B19R2.483308 Clc1cccc(c1)OCCCN2CCCCCC2 269982a_100000185865_100000742658 [0,1,0,0,0,1|2,0,0]=4 12204 B19R2.483308 Clc1cccc(c1)OCCCN2CCCCCC2 34a_100000185865_100000742658 [0,1,0,0,0,1|2,0,0]=4 12205 B19R2.483308 Clc1cccc(c1)OCCNC2CCCCCC2 2230a_100000210984_100000181161 [0,1,0,0,0,1|0,0,0]=2 12206 B19R2.483308 Clc1cccc(c1)OCCNC2CCCCCC2 270004a_100000740232_100000210131 [0,1,0,0,0,1|0,0,0]=2 12207 B19R2.483308 Clc1cccc(c1)OCCNC2CCCCCC2 34a_100000210984_100000181161 [0,1,0,0,0,1|0,0,0]=2 12208 B19R2.483308 Clc1cccc(c1)OCCNC2CCCCCC2 34a_100000740232_100011217769 [0,1,0,0,0,1|0,0,0]=2 12209 B19R2.483308 Clc1cccc(c1)OCCNC2CCCNCC2 270004a_100000740232_100015187895 [0,1,0,0,0,1|1,0,0]=3 12210 B19R2.483308 Clc1cccc(c1)OCCNC2CSCCSC2 270004a_100000740232_100000068409 [0,1,0,0,0,1|2,0,0]=4 12211 B19R2.483308 Clc1cccc(c1)OCCOC2CCCCCC2 34a_100000210887_100000181161 [0,1,0,0,0,1|1,0,0]=3 12212 B19R2.483308 Clc1cccc(c1)OCCOC2CCCCCC2 34a_100000230539_100011217769 [0,1,0,0,0,1|1,0,0]=3 12213 B19R2.483308 Clc1cccc(c1)OCCOC2CCCCCC2 7a_100000210887_100000181161 [0,1,0,0,0,1|1,0,0]=3 12214 B19R2.483308 Clc1cccc(c1)OCCSC2CCCCCC2 62a_100000181161_100011217769 [0,1,0,0,0,1|1,0,0]=3 12215 B19R2.483308 Clc1cccc(c1)OCCSC2CCCCCC2 62a_100011217769_100000181161 [0,1,0,0,0,1|1,0,0]=3 12216 B19R2.483308 Clc1cccc(c1)SCCOC2CCCCCC2 34a_200011721761_100011217769 [0,1,0,0,0,1|1,0,0]=3 12217 B19R2.483308 Clc1cccc(n1)CNCCC2CCCCCC2 2230a_100011532351_100000086093 [0,1,0,0,0,1|2,0,0]=4 12218 B19R2.483308 Clc1cccc(n1)CNCCC2CCCCCC2 270004a_100011532351_100011361687 [0,1,0,0,0,1|2,0,0]=4 12219 B19R2.483308 Clc1cccc(n1)CNCCC2CCCCCC2 34a_100011532351_100000086093 [0,1,0,0,0,1|2,0,0]=4 12220 B19R2.483308 Clc1ccnc(c1)CNCCC2CCCCCC2 2230a_100011532351_100016988179 [0,1,0,0,0,1|2,0,0]=4 12221 B19R2.483308 Clc1ccnc(c1)CNCCC2CCCCCC2 270004a_100011532351_100011998288 [0,1,0,0,0,1|2,0,0]=4 12222 B19R2.483308 Clc1ccnc(c1)CNCCC2CCCCCC2 34a_100011532351_100016988179 [0,1,0,0,0,1|2,0,0]=4 12223 B19R2.483308 Clc1cncc(c1)CNCCC2CCCCCC2 207a_100011532351_100000088910 [0,1,0,0,0,1|2,0,0]=4 12224 B19R2.483308 Clc1cncc(c1)CNCCC2CCCCCC2 2230a_100011532351_100016992070 [0,1,0,0,0,1|2,0,0]=4 12225 B19R2.483308 Clc1cncc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000088910 [0,1,0,0,0,1|2,0,0]=4 12226 B19R2.483308 Clc1cncc(c1)CNCCC2CCCCCC2 34a_100011532351_100016992070 [0,1,0,0,0,1|2,0,0]=4 12227 B19R2.483308 Fc1cc(ccn1)CNCCC2CCCCCC2 270004a_100011532351_100000068331 [0,1,0,0,0,1|2,0,0]=4 12228 B19R2.483308 Fc1cccc(c1)C#CCNC2CCCCCC2 2230a_100000210984_100010402994 [0,1,0,0,0,1|0,0,1]=3 12229 B19R2.483308 Fc1cccc(c1)C#CCNC2CCCCCC2 34a_100000210984_100010402994 [0,1,0,0,0,1|0,0,1]=3 12230 B19R2.483308 Fc1cccc(c1)C#CCOC2CCCCCC2 34a_100000210887_100010402994 [0,1,0,0,0,1|1,0,1]=4 12231 B19R2.483308 Fc1cccc(c1)C#CCOC2CCCCCC2 34a_100011219115_100011217769 [0,1,0,0,0,1|1,0,1]=4 12232 B19R2.483308 Fc1cccc(c1)C#CCOC2CCCCCC2 7a_100000210887_100010402994 [0,1,0,0,0,1|1,0,1]=4 12233 B19R2.483308 Fc1cccc(c1)C#CCSC2CCCCCC2 62a_100010402994_100011217769 [0,1,0,0,0,1|1,0,1]=4 12234 B19R2.483308 Fc1cccc(c1)C#CCSC2CCCCCC2 62a_100011217769_100010402994 [0,1,0,0,0,1|1,0,1]=4 12235 B19R2.483308 Fc1cccc(c1)CCCNC2CCCCCC2 2230a_100000210984_200000698031 [0,1,0,0,0,1|0,0,0]=2 12236 B19R2.483308 Fc1cccc(c1)CCCNC2CCCCCC2 270004a_100000754185_100000210131 [0,1,0,0,0,1|0,0,0]=2 12237 B19R2.483308 Fc1cccc(c1)CCCNC2CCCCCC2 34a_100000210984_200000698031 [0,1,0,0,0,1|0,0,0]=2 12238 B19R2.483308 Fc1cccc(c1)CCCNC2CCCCCC2 34a_100000754185_100011217769 [0,1,0,0,0,1|0,0,0]=2 12239 B19R2.483308 Fc1cccc(c1)CCCNC2CCCNCC2 270004a_100000754185_100015187895 [0,1,0,0,0,1|1,0,0]=3 12240 B19R2.483308 Fc1cccc(c1)CCCNC2CSCCSC2 270004a_100000754185_100000068409 [0,1,0,0,0,1|2,0,0]=4 12241 B19R2.483308 Fc1cccc(c1)CCCOC2CCCCCC2 34a_100000210887_200000698031 [0,1,0,0,0,1|1,0,0]=3 12242 B19R2.483308 Fc1cccc(c1)CCCOC2CCCCCC2 7a_100000210887_200000698031 [0,1,0,0,0,1|1,0,0]=3 12243 B19R2.483308 Fc1cccc(c1)CCCSC2CCCCCC2 62a_100011217769_200000698031 [0,1,0,0,0,1|1,0,0]=3 12244 B19R2.483308 Fc1cccc(c1)CCCSC2CCCCCC2 62a_200000698031_100011217769 [0,1,0,0,0,1|1,0,0]=3 12245 B19R2.483308 Fc1cccc(c1)CCNCC2CCCCCC2 2230a_100000205154_200000696569 [0,1,0,0,0,1|0,0,0]=2 12246 B19R2.483308 Fc1cccc(c1)CCNCC2CCCCCC2 2230a_100015204231_100011217235 [0,1,0,0,0,1|0,0,0]=2 12247 B19R2.483308 Fc1cccc(c1)CCNCC2CCCCCC2 269862a_100000205154_200000763224 [0,1,0,0,0,1|0,0,0]=2 12248 B19R2.483308 Fc1cccc(c1)CCNCC2CCCCCC2 34a_100000205154_200000696569 [0,1,0,0,0,1|0,0,0]=2 12249 B19R2.483308 Fc1cccc(c1)CCNCC2CCCCCC2 34a_100015204231_100011217235 [0,1,0,0,0,1|0,0,0]=2 12250 B19R2.483308 Fc1cccc(c1)CCOCC2CCCCCC2 34a_100000699130_100011217235 [0,1,0,0,0,1|1,0,0]=3 12251 B19R2.483308 Fc1cccc(c1)CCOCC2CCCCCC2 34a_100000763591_200000696569 [0,1,0,0,0,1|1,0,0]=3 12252 B19R2.483308 Fc1cccc(c1)CCOCC2CCCCCC2 7a_100000699130_100011217235 [0,1,0,0,0,1|1,0,0]=3 12253 B19R2.483308 Fc1cccc(c1)CCOCC2CCCCCC2 7a_100000763591_200000696569 [0,1,0,0,0,1|1,0,0]=3 12254 B19R2.483308 Fc1cccc(c1)CCSCC2CCCCCC2 62a_100011217235_200000696569 [0,1,0,0,0,1|1,0,0]=3 12255 B19R2.483308 Fc1cccc(c1)CCSCC2CCCCCC2 62a_200000696569_100011217235 [0,1,0,0,0,1|1,0,0]=3 12256 B19R2.483308 Fc1cccc(c1)CNCCC2CCCCCC2 207a_100011532351_100000210812 [0,1,0,0,0,1|1,0,0]=3 12257 B19R2.483308 Fc1cccc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000230114 [0,1,0,0,0,1|1,0,0]=3 12258 B19R2.483308 Fc1cccc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000210812 [0,1,0,0,0,1|1,0,0]=3 12259 B19R2.483308 Fc1cccc(c1)CNCCC2CCCCCC2 34a_100011532351_100000187166 [0,1,0,0,0,1|1,0,0]=3 12260 B19R2.483308 Fc1cccc(c1)CNCCN2CCCCCC2 207a_100000738142_100000210812 [0,1,0,0,0,1|2,0,0]=4 12261 B19R2.483308 Fc1cccc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000210812 [0,1,0,0,0,1|2,0,0]=4 12262 B19R2.483308 Fc1cccc(c1)CNN=CC2CCCCCC2 4a_100016993953_200000763224 [0,1,0,0,0,1|1,0,1]=4 12263 B19R2.483308 Fc1cccc(c1)COCCN2CCCCCC2 34a_100000238007_100000187166 [0,1,0,0,0,1|2,0,0]=4 12264 B19R2.483308 Fc1cccc(c1)COCCN2CCCCCC2 7a_100000210976_100000722644 [0,1,0,0,0,1|2,0,0]=4 12265 B19R2.483308 Fc1cccc(c1)CSCCN2CCCCCC2 62a_100000230114_100000722644 [0,1,0,0,0,1|2,0,0]=4 12266 B19R2.483308 Fc1cccc(c1)CSCCN2CCCCCC2 62a_100000722644_100000230114 [0,1,0,0,0,1|2,0,0]=4 12267 B19R2.483308 Fc1cccc(c1)OCCNC2CCCCCC2 2230a_100000210984_100000739188 [0,1,0,0,0,1|0,0,0]=2 12268 B19R2.483308 Fc1cccc(c1)OCCNC2CCCCCC2 270004a_100000738948_100000210131 [0,1,0,0,0,1|0,0,0]=2 12269 B19R2.483308 Fc1cccc(c1)OCCNC2CCCCCC2 34a_100000210984_100000739188 [0,1,0,0,0,1|0,0,0]=2 12270 B19R2.483308 Fc1cccc(c1)OCCNC2CCCCCC2 34a_100000738948_100011217769 [0,1,0,0,0,1|0,0,0]=2 12271 B19R2.483308 Fc1cccc(c1)OCCNC2CCCNCC2 270004a_100000738948_100015187895 [0,1,0,0,0,1|1,0,0]=3 12272 B19R2.483308 Fc1cccc(c1)OCCNC2CSCCSC2 270004a_100000738948_100000068409 [0,1,0,0,0,1|2,0,0]=4 12273 B19R2.483308 Fc1cccc(c1)OCCOC2CCCCCC2 34a_100000210887_100000739188 [0,1,0,0,0,1|1,0,0]=3 12274 B19R2.483308 Fc1cccc(c1)OCCOC2CCCCCC2 7a_100000210887_100000739188 [0,1,0,0,0,1|1,0,0]=3 12275 B19R2.483308 Fc1cccc(c1)OCCSC2CCCCCC2 62a_100000739188_100011217769 [0,1,0,0,0,1|1,0,0]=3 12276 B19R2.483308 Fc1cccc(c1)OCCSC2CCCCCC2 62a_100011217769_100000739188 [0,1,0,0,0,1|1,0,0]=3 12277 B19R2.483308 Fc1cccc(c1)SCCOC2CCCCCC2 34a_200011996949_100011217769 [0,1,0,0,0,1|1,0,0]=3 12278 B19R2.483308 Fc1cccc(n1)CNCCC2CCCCCC2 2230a_100011532351_100009819644 [0,1,0,0,0,1|2,0,0]=4 12279 B19R2.483308 Fc1cccc(n1)CNCCC2CCCCCC2 270004a_100011532351_100000050434 [0,1,0,0,0,1|2,0,0]=4 12280 B19R2.483308 Fc1cccc(n1)CNCCC2CCCCCC2 34a_100011532351_100009819644 [0,1,0,0,0,1|2,0,0]=4 12281 B19R2.483308 Fc1cccc(n1)NCCOC2CCCCCC2 34a_200011432718_100011217769 [0,1,0,0,0,1|2,0,0]=4 12282 B19R2.483308 Fc1cncc(c1)CNCCC2CCCCCC2 207a_100011532351_100011361476 [0,1,0,0,0,1|2,0,0]=4 12283 B19R2.483308 Fc1cncc(c1)CNCCC2CCCCCC2 2230a_100011532351_100000725299 [0,1,0,0,0,1|2,0,0]=4 12284 B19R2.483308 Fc1cncc(c1)CNCCC2CCCCCC2 270004a_100011532351_100011361476 [0,1,0,0,0,1|2,0,0]=4 12285 B19R2.483308 Fc1cncc(c1)CNCCC2CCCCCC2 34a_100011532351_100000725299 [0,1,0,0,0,1|2,0,0]=4 12286 B19R2.483308 Ic1cccc(c1)CNCCC2CCCCCC2 207a_100011532351_100000014684 [0,1,0,0,0,1|1,0,0]=3 12287 B19R2.483308 Ic1cccc(c1)CNCCC2CCCCCC2 2230a_100011532351_100011218688 [0,1,0,0,0,1|1,0,0]=3 12288 B19R2.483308 Ic1cccc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000014684 [0,1,0,0,0,1|1,0,0]=3 12289 B19R2.483308 Ic1cccc(c1)CNCCC2CCCCCC2 34a_100011532351_100011218688 [0,1,0,0,0,1|1,0,0]=3 12290 B19R2.483308 Ic1cccc(c1)CNCCN2CCCCCC2 207a_100000738142_100000014684 [0,1,0,0,0,1|2,0,0]=4 12291 B19R2.483308 Ic1cccc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000014684 [0,1,0,0,0,1|2,0,0]=4 12292 B19R2.483308 Ic1cccc(c1)COCCN2CCCCCC2 34a_100000238007_100011218688 [0,1,0,0,0,1|2,0,0]=4 12293 B19R2.483308 Ic1cccc(c1)COCCN2CCCCCC2 7a_100011215336_100000722644 [0,1,0,0,0,1|2,0,0]=4 12294 B19R2.483308 Ic1cccc(c1)CSCCN2CCCCCC2 62a_100000722644_100011218688 [0,1,0,0,0,1|2,0,0]=4 12295 B19R2.483308 Ic1cccc(c1)CSCCN2CCCCCC2 62a_100011218688_100000722644 [0,1,0,0,0,1|2,0,0]=4 12296 B19R2.483308 Nc1cccc(c1)CCCOC2CCCCCC2 34a_200000698965_100011217769 [0,1,0,0,0,1|1,0,0]=3 12297 B19R2.483308 Nc1cccc(c1)CCOCC2CCCCCC2 34a_100011996697_200000696569 [0,1,0,0,0,1|1,0,0]=3 12298 B19R2.483308 Nc1cccc(c1)OCCOC2CCCCCC2 34a_100011232151_100011217769 [0,1,0,0,0,1|1,0,0]=3 12299 B19R2.483308 O=c1cccc([nH]1)CNCCC2CCCCCC2 207a_100011532351_100011935257 [0,1,0,0,0,1|2,0,0]=4 12300 B19R2.483308 Oc1cc(ccn1)CNCCC2CCCCCC2 207a_100011532351_100000688113 [0,1,0,0,0,1|2,0,0]=4 12301 B19R2.483308 Oc1cccc(c1)CCNCC2CCCCCC2 2230a_100000747277_200000696569 [0,1,0,0,0,1|0,0,0]=2 12302 B19R2.483308 Oc1cccc(c1)CCNCC2CCCCCC2 269862a_100000747277_200000763224 [0,1,0,0,0,1|0,0,0]=2 12303 B19R2.483308 Oc1cccc(c1)CCNCC2CCCCCC2 34a_100000747277_200000696569 [0,1,0,0,0,1|0,0,0]=2 12304 B19R2.483308 Oc1cccc(c1)CNCCC2CCCCCC2 207a_100011532351_100000188321 [0,1,0,0,0,1|1,0,0]=3 12305 B19R2.483308 Oc1cccc(c1)CNCCC2CCCCCC2 2230a_100011532351_100011660834 [0,1,0,0,0,1|1,0,0]=3 12306 B19R2.483308 Oc1cccc(c1)CNCCC2CCCCCC2 270004a_100011532351_100000188321 [0,1,0,0,0,1|1,0,0]=3 12307 B19R2.483308 Oc1cccc(c1)CNCCC2CCCCCC2 34a_100011532351_100011660834 [0,1,0,0,0,1|1,0,0]=3 12308 B19R2.483308 Oc1cccc(c1)CNCCN2CCCCCC2 207a_100000738142_100000188321 [0,1,0,0,0,1|2,0,0]=4 12309 B19R2.483308 Oc1cccc(c1)CNCCN2CCCCCC2 270004a_100000738142_100000188321 [0,1,0,0,0,1|2,0,0]=4 12310 B19R2.483308 Oc1cccc(c1)COCCN2CCCCCC2 34a_100000238007_100011660834 [0,1,0,0,0,1|2,0,0]=4 12311 B19R2.483308 Oc1cccc(c1)CSCCN2CCCCCC2 62a_100000722644_100011660834 [0,1,0,0,0,1|2,0,0]=4 12312 B19R2.483308 Oc1cccc(c1)CSCCN2CCCCCC2 62a_100011660834_100000722644 [0,1,0,0,0,1|2,0,0]=4 12313 B19R2.483308 Oc1cncc(c1)CNCCC2CCCCCC2 207a_100011532351_100012187055 [0,1,0,0,0,1|2,0,0]=4 12314 B19R2.483308 Oc1cncc(c1)CNCCC2CCCCCC2 270004a_100011532351_100012187055 [0,1,0,0,0,1|2,0,0]=4 12315 B19R2.555518 CC1(CCCCCC1)NC/C=C/c2ccccc2 2230a_100000704638_100016265936 [0,1,0,0,0,1|0,0,1]=3 12316 B19R2.555518 CC1(CCCCCC1)NC/C=C/c2ccccc2 34a_100000704638_100016265936 [0,1,0,0,0,1|0,0,1]=3 12317 B19R2.555518 CC1(CCCCCC1)NCC#Cc2ccccc2 2230a_100000704638_100011352542 [0,1,0,0,0,1|0,0,1]=3 12318 B19R2.555518 CC1(CCCCCC1)NCC#Cc2ccccc2 34a_100000704638_100011352542 [0,1,0,0,0,1|0,0,1]=3 12319 B19R2.555518 CC1(CCCCCC1)NCC=Cc2ccccc2 270004a_100000704638_100000210105 [0,1,0,0,0,1|0,0,1]=3 12320 B19R2.555518 CC1(CCCCCC1)NCCCc2ccccc2 2230a_100000704638_100000211621 [0,1,0,0,0,1|0,0,0]=2 12321 B19R2.555518 CC1(CCCCCC1)NCCCc2ccccc2 34a_100000704638_100000211621 [0,1,0,0,0,1|0,0,0]=2 12322 B19R2.555518 CC1(CCCCCC1)NCCOc2ccccc2 2230a_100000704638_100000184471 [0,1,0,0,0,1|0,0,0]=2 12323 B19R2.555518 CC1(CCCCCC1)NCCOc2ccccc2 270004a_100000704638_100000758736 [0,1,0,0,0,1|0,0,0]=2 12324 B19R2.555518 CC1(CCCCCC1)NCCOc2ccccc2 34a_100000704638_100000184471 [0,1,0,0,0,1|0,0,0]=2 12325 B19R2.555518 CC1(CCCCCC1)NCCSc2ccccc2 2230a_100000704638_100000246102 [0,1,0,0,0,1|0,0,0]=2 12326 B19R2.555518 CC1(CCCCCC1)NCCSc2ccccc2 34a_100000704638_100000246102 [0,1,0,0,0,1|0,0,0]=2 12327 B19R2.555518 CC1(CCCCCC1)NCOCc2ccccc2 2230a_100000704638_100000763385 [0,1,0,0,0,1|0,0,0]=2 12328 B19R2.555518 CC1(CCCCCC1)NCOCc2ccccc2 34a_100000704638_100000763385 [0,1,0,0,0,1|0,0,0]=2 12329 B19R2.555518 CC1(CCCCCC1)NCSCc2ccccc2 2230a_100000704638_200011217039 [0,1,0,0,0,1|0,0,0]=2 12330 B19R2.555518 CC1(CCCCCC1)NCSCc2ccccc2 34a_100000704638_200011217039 [0,1,0,0,0,1|0,0,0]=2 12331 B19R2.555518 CC1(CCCCCC1)OC/C=C/c2ccccc2 34a_100000708895_100016265936 [0,1,0,0,0,1|1,0,1]=4 12332 B19R2.555518 CC1(CCCCCC1)OC/C=C/c2ccccc2 7a_100000708895_100016265936 [0,1,0,0,0,1|1,0,1]=4 12333 B19R2.555518 CC1(CCCCCC1)OCC#Cc2ccccc2 34a_100000708895_100011352542 [0,1,0,0,0,1|1,0,1]=4 12334 B19R2.555518 CC1(CCCCCC1)OCC#Cc2ccccc2 7a_100000708895_100011352542 [0,1,0,0,0,1|1,0,1]=4 12335 B19R2.555518 CC1(CCCCCC1)OCCCc2ccccc2 34a_100000708895_100000211621 [0,1,0,0,0,1|1,0,0]=3 12336 B19R2.555518 CC1(CCCCCC1)OCCCc2ccccc2 7a_100000708895_100000211621 [0,1,0,0,0,1|1,0,0]=3 12337 B19R2.555518 CC1(CCCCCC1)OCCOc2ccccc2 34a_100000708895_100000184471 [0,1,0,0,0,1|1,0,0]=3 12338 B19R2.555518 CC1(CCCCCC1)OCCOc2ccccc2 7a_100000708895_100000184471 [0,1,0,0,0,1|1,0,0]=3 12339 B19R2.555518 CC1(CCCCCC1)OCCSc2ccccc2 34a_100000708895_100000246102 [0,1,0,0,0,1|1,0,0]=3 12340 B19R2.555518 CC1(CCCCCC1)OCCSc2ccccc2 7a_100000708895_100000246102 [0,1,0,0,0,1|1,0,0]=3 12341 B19R2.555518 CC1(CCCCCC1)OCOCc2ccccc2 34a_100000708895_100000763385 [0,1,0,0,0,1|1,0,0]=3 12342 B19R2.555518 CC1(CCCCCC1)OCSCc2ccccc2 34a_100000708895_200011217039 [0,1,0,0,0,1|1,0,0]=3 12343 B19R2.555518 CC1(CCCNCC1)OCCCc2ccccc2 34a_100000723723_100000211621 [0,1,0,0,0,1|2,0,0]=4 12344 B19R2.555518 CC1(CCCNCC1)OCCOc2ccccc2 34a_100000723723_100000184471 [0,1,0,0,0,1|2,0,0]=4 12345 B19R2.555518 CC1(CCCNCC1)OCCSc2ccccc2 34a_100000723723_100000246102 [0,1,0,0,0,1|2,0,0]=4 12346 B19R2.555518 CC1(CCCNCC1)OCOCc2ccccc2 34a_100000723723_100000763385 [0,1,0,0,0,1|2,0,0]=4 12347 B19R2.555518 CC1(CCCNCC1)OCSCc2ccccc2 34a_100000723723_200011217039 [0,1,0,0,0,1|2,0,0]=4 12348 B19R2.1033509 CC(CCCc1ccccc1)N2CCCCCC2 2230a_100000185865_200010759516 [0,1,0,0,0,1|2,0,0]=4 12349 B19R2.1033509 CC(CCCc1ccccc1)N2CCCCCC2 269982a_100000185865_200010759516 [0,1,0,0,0,1|2,0,0]=4 12350 B19R2.1033509 CC(CCCc1ccccc1)N2CCCCCC2 34a_100000185865_200010759516 [0,1,0,0,0,1|2,0,0]=4 12351 B19R2.1033509 CC(COCc1ccccc1)N2CCCCCC2 270004a_100000185865_100011215004 [0,1,0,0,0,1|2,0,0]=4 12352 B19R2.1033509 CC(CSCc1ccccc1)N2CCCCCC2 270004a_100000185865_100000172147 [0,1,0,0,0,1|2,0,0]=4 12353 B19R2.1033509 CN(C/C=C/c1ccccc1)C2CCCCCC2 2230a_100015185097_100016265936 [0,1,0,0,0,1|0,0,1]=3 12354 B19R2.1033509 CN(C/C=C/c1ccccc1)C2CCCCCC2 269982a_100015185097_100016265936 [0,1,0,0,0,1|0,0,1]=3 12355 B19R2.1033509 CN(C/C=C/c1ccccc1)C2CCCCCC2 34a_100015185097_100016265936 [0,1,0,0,0,1|0,0,1]=3 12356 B19R2.1033509 CN(CC#Cc1ccccc1)C2CCCCCC2 2230a_100015185097_100011352542 [0,1,0,0,0,1|0,0,1]=3 12357 B19R2.1033509 CN(CC#Cc1ccccc1)C2CCCCCC2 269982a_100015185097_100011352542 [0,1,0,0,0,1|0,0,1]=3 12358 B19R2.1033509 CN(CC#Cc1ccccc1)C2CCCCCC2 34a_100015185097_100011352542 [0,1,0,0,0,1|0,0,1]=3 12359 B19R2.1033509 CN(CC=Cc1ccccc1)C2CCCCCC2 270004a_100015185097_100000210105 [0,1,0,0,0,1|0,0,1]=3 12360 B19R2.1033509 CN(CCCc1ccccc1)C2CCCCCC2 2230a_100015185097_100000211621 [0,1,0,0,0,1|0,0,0]=2 12361 B19R2.1033509 CN(CCCc1ccccc1)C2CCCCCC2 269982a_100000693637_100011217769 [0,1,0,0,0,1|0,0,0]=2 12362 B19R2.1033509 CN(CCCc1ccccc1)C2CCCCCC2 269982a_100015185097_100000211621 [0,1,0,0,0,1|0,0,0]=2 12363 B19R2.1033509 CN(CCCc1ccccc1)C2CCCCCC2 270004a_100000693637_100000210131 [0,1,0,0,0,1|0,0,0]=2 12364 B19R2.1033509 CN(CCCc1ccccc1)C2CCCCCC2 34a_100015185097_100000211621 [0,1,0,0,0,1|0,0,0]=2 12365 B19R2.1033509 CN(CCCc1ccccc1)C2CCCNCC2 270004a_100000693637_100015187895 [0,1,0,0,0,1|1,0,0]=3 12366 B19R2.1033509 CN(CCCc1ccccc1)C2CSCCSC2 270004a_100000693637_100000068409 [0,1,0,0,0,1|2,0,0]=4 12367 B19R2.1033509 CN(CCOc1ccccc1)C2CCCCCC2 2230a_100015185097_100000184471 [0,1,0,0,0,1|0,0,0]=2 12368 B19R2.1033509 CN(CCOc1ccccc1)C2CCCCCC2 269982a_100000184383_100011217769 [0,1,0,0,0,1|0,0,0]=2 12369 B19R2.1033509 CN(CCOc1ccccc1)C2CCCCCC2 269982a_100015185097_100000184471 [0,1,0,0,0,1|0,0,0]=2 12370 B19R2.1033509 CN(CCOc1ccccc1)C2CCCCCC2 270004a_100000184383_100000210131 [0,1,0,0,0,1|0,0,0]=2 12371 B19R2.1033509 CN(CCOc1ccccc1)C2CCCCCC2 270004a_100015185097_100000758736 [0,1,0,0,0,1|0,0,0]=2 12372 B19R2.1033509 CN(CCOc1ccccc1)C2CCCCCC2 34a_100015185097_100000184471 [0,1,0,0,0,1|0,0,0]=2 12373 B19R2.1033509 CN(CCOc1ccccc1)C2CCCNCC2 270004a_100000184383_100015187895 [0,1,0,0,0,1|1,0,0]=3 12374 B19R2.1033509 CN(CCOc1ccccc1)C2CSCCSC2 270004a_100000184383_100000068409 [0,1,0,0,0,1|2,0,0]=4 12375 B19R2.1033509 CN(CCSc1ccccc1)C2CCCCCC2 2230a_100015185097_100000246102 [0,1,0,0,0,1|0,0,0]=2 12376 B19R2.1033509 CN(CCSc1ccccc1)C2CCCCCC2 269982a_100015185097_100000246102 [0,1,0,0,0,1|0,0,0]=2 12377 B19R2.1033509 CN(CCSc1ccccc1)C2CCCCCC2 34a_100015185097_100000246102 [0,1,0,0,0,1|0,0,0]=2 12378 B19R2.1033509 CN(COCc1ccccc1)C2CCCCCC2 2230a_100015185097_100000763385 [0,1,0,0,0,1|0,0,0]=2 12379 B19R2.1033509 CN(COCc1ccccc1)C2CCCCCC2 34a_100015185097_100000763385 [0,1,0,0,0,1|0,0,0]=2 12380 B19R2.1033509 CN(CSCc1ccccc1)C2CCCCCC2 2230a_100015185097_200011217039 [0,1,0,0,0,1|0,0,0]=2 12381 B19R2.1033509 CN(CSCc1ccccc1)C2CCCCCC2 269982a_100015185097_200011217039 [0,1,0,0,0,1|0,0,0]=2 12382 B19R2.1033509 CN(CSCc1ccccc1)C2CCCCCC2 34a_100015185097_200011217039 [0,1,0,0,0,1|0,0,0]=2 12383 B19R2.1033509 O=C(C/C=C/c1ccccc1)C2CCCCCC2 1458a_100000749507_100016265936 [0,1,0,0,0,1|1,0,1]=4 12384 B19R2.1033509 O=C(C/C=C/c1ccccc1)C2CCCCCC2 1458a_100011219626_100011217769 [0,1,0,0,0,1|1,0,1]=4 12385 B19R2.1033509 O=C(CC#Cc1ccccc1)C2CCCCCC2 1458a_100000749507_100011352542 [0,1,0,0,0,1|1,0,1]=4 12386 B19R2.1033509 O=C(CCCc1ccccc1)C2CCCCCC2 1458a_100000749507_100000211621 [0,1,0,0,0,1|1,0,0]=3 12387 B19R2.1033509 O=C(CCCc1ccccc1)C2CCCCCC2 1458a_100011207963_100011217769 [0,1,0,0,0,1|1,0,0]=3 12388 B19R2.1033509 O=C(CCCc1ccccc1)N2CCCCCC2 11a_100000185865_100011207963 [0,1,0,0,0,1|2,0,0]=4 12389 B19R2.1033509 O=C(CCCc1ccccc1)N2CCCCCC2 1626a_100000185865_100011207963 [0,1,0,0,0,1|2,0,0]=4 12390 B19R2.1033509 O=C(CCCc1ccccc1)N2CCCCCC2 240690a_100000185865_100011207963 [0,1,0,0,0,1|2,0,0]=4 12391 B19R2.1033509 O=C(CCCc1ccccc1)N2CCCCCC2 527a_100000185865_100011207963 [0,1,0,0,0,1|2,0,0]=4 12392 B19R2.1033509 O=C(CCCc1ccccn1)C2CCCCCC2 1458a_100000752327_100011217769 [0,1,0,0,0,1|2,0,0]=4 12393 B19R2.1033509 O=C(CCCc1ccncc1)C2CCCCCC2 1458a_100020654287_100011217769 [0,1,0,0,0,1|2,0,0]=4 12394 B19R2.1033509 O=C(CCOc1ccccc1)C2CCCCCC2 1458a_100000182761_100011217769 [0,1,0,0,0,1|1,0,0]=3 12395 B19R2.1033509 O=C(CCOc1ccccc1)C2CCCCCC2 1458a_100000749507_100000184471 [0,1,0,0,0,1|1,0,0]=3 12396 B19R2.1033509 O=C(CCOc1ccccc1)N2CCCCCC2 11a_100000185865_100000182761 [0,1,0,0,0,1|2,0,0]=4 12397 B19R2.1033509 O=C(CCOc1ccccc1)N2CCCCCC2 1626a_100000185865_100000182761 [0,1,0,0,0,1|2,0,0]=4 12398 B19R2.1033509 O=C(CCOc1ccccc1)N2CCCCCC2 240690a_100000185865_100000182761 [0,1,0,0,0,1|2,0,0]=4 12399 B19R2.1033509 O=C(CCSc1ccccc1)C2CCCCCC2 1458a_100000182436_100011217769 [0,1,0,0,0,1|1,0,0]=3 12400 B19R2.1033509 O=C(CCSc1ccccc1)C2CCCCCC2 1458a_100000749507_100000246102 [0,1,0,0,0,1|1,0,0]=3 12401 B19R2.1033509 O=C(CCSc1ccccc1)N2CCCCCC2 11a_100000185865_100000182436 [0,1,0,0,0,1|2,0,0]=4 12402 B19R2.1033509 O=C(CCSc1ccccc1)N2CCCCCC2 1626a_100000185865_100000182436 [0,1,0,0,0,1|2,0,0]=4 12403 B19R2.1033509 O=C(CCSc1ccccc1)N2CCCCCC2 240690a_100000185865_100000182436 [0,1,0,0,0,1|2,0,0]=4 12404 B19R2.1033509 O=C(CNCc1ccccc1)N2CCCCCC2 2230a_100015324214_100000182869 [0,1,0,0,0,1|2,0,0]=4 12405 B19R2.1033509 O=C(CNCc1ccccc1)N2CCCCCC2 34a_100015324214_100000182869 [0,1,0,0,0,1|2,0,0]=4 12406 B19R2.1033509 O=C(COCc1ccccc1)C2CCCCCC2 1458a_100000230186_100011217769 [0,1,0,0,0,1|1,0,0]=3 12407 B19R2.1033509 O=C(COCc1ccccc1)N2CCCCCC2 11a_100000185865_100000230186 [0,1,0,0,0,1|2,0,0]=4 12408 B19R2.1033509 O=C(COCc1ccccc1)N2CCCCCC2 1626a_100000185865_100000230186 [0,1,0,0,0,1|2,0,0]=4 12409 B19R2.1033509 O=C(COCc1ccccc1)N2CCCCCC2 240690a_100000185865_100000230186 [0,1,0,0,0,1|2,0,0]=4 12410 B19R2.1033509 O=C(COCc1ccccc1)N2CCCCCC2 34a_100000210790_100000182869 [0,1,0,0,0,1|2,0,0]=4 12411 B19R2.1033509 O=C(COCc1ccccc1)N2CCCCCC2 527a_100000185865_100000230186 [0,1,0,0,0,1|2,0,0]=4 12412 B19R2.1033509 O=C(COCc1ccccc1)N2CCCCCC2 7a_100000210790_100000182869 [0,1,0,0,0,1|2,0,0]=4 12413 B19R2.1033509 O=C(CSCc1ccccc1)C2CCCCCC2 1458a_100000150264_100011217769 [0,1,0,0,0,1|1,0,0]=3 12414 B19R2.1033509 O=C(CSCc1ccccc1)C2CCCCCC2 1458a_100000749507_200011217039 [0,1,0,0,0,1|1,0,0]=3 12415 B19R2.1033509 O=C(CSCc1ccccc1)N2CCCCCC2 11a_100000185865_100000150264 [0,1,0,0,0,1|2,0,0]=4 12416 B19R2.1033509 O=C(CSCc1ccccc1)N2CCCCCC2 1626a_100000185865_100000150264 [0,1,0,0,0,1|2,0,0]=4 12417 B19R2.1033509 O=C(CSCc1ccccc1)N2CCCCCC2 240690a_100000185865_100000150264 [0,1,0,0,0,1|2,0,0]=4 12418 B19R2.1033509 O=C(CSCc1ccccc1)N2CCCCCC2 527a_100000185865_100000150264 [0,1,0,0,0,1|2,0,0]=4 12419 B19R2.1033509 O=C(CSCc1ccccc1)N2CCCCCC2 62a_100000182869_100015291786 [0,1,0,0,0,1|2,0,0]=4 12420 B19R2.1033509 O=C(CSCc1ccccc1)N2CCCCCC2 62a_100000211182_100000182869 [0,1,0,0,0,1|2,0,0]=4 12421 B19R2.1033509 O=C(CSCc1ccccn1)C2CCCCCC2 1458a_100000742634_100011217769 [0,1,0,0,0,1|2,0,0]=4 12422 B19R2.1033509 O=C(NCCc1ccccc1)C2CCC=CCC2 11a_100000106460_100000048548 [0,1,0,0,0,1|0,0,2]=4 12423 B19R2.1033509 O=C(NCCc1ccccc1)C2CCC=CCC2 1626a_100000106460_100000048548 [0,1,0,0,0,1|0,0,2]=4 12424 B19R2.1033509 O=C(NCCc1ccccc1)C2CCC=CCC2 240690a_100000106460_100000048548 [0,1,0,0,0,1|0,0,2]=4 12425 B19R2.1033509 O=C(NCCc1ccccc1)C2CCC=CCC2 527a_100000106460_100000048548 [0,1,0,0,0,1|0,0,2]=4 12426 B19R2.1033509 O=C(NCCc1ccccc1)C2CCCCCC2 11a_100000106460_100000749507 [0,1,0,0,0,1|0,0,0]=2 12427 B19R2.1033509 O=C(NCCc1ccccc1)C2CCCCCC2 1626a_100000106460_100000749507 [0,1,0,0,0,1|0,0,0]=2 12428 B19R2.1033509 O=C(NCCc1ccccc1)C2CCCCCC2 240690a_100000106460_100000749507 [0,1,0,0,0,1|0,0,0]=2 12429 B19R2.1033509 O=C(NCCc1ccccc1)C2CCCCCC2 527a_100000106460_100000749507 [0,1,0,0,0,1|0,0,0]=2 12430 B19R2.1033509 O=C(NCCc1ccccc1)N2CCCCCC2 2708a_100000106460_100000185865 [0,1,0,0,0,1|1,0,0]=3 12431 B19R2.1033509 O=C(NCCc1ccccc1)N2CCCCCC2 273464a_100000106460_100000185865 [0,1,0,0,0,1|1,0,0]=3 12432 B19R2.1033509 O=C(NCCc1ccccc1)N2CCCOCC2 2708a_100000106460_100000685342 [0,1,0,0,0,1|2,0,0]=4 12433 B19R2.1033509 O=C(NCCc1ccccc1)N2CCCOCC2 273464a_100000106460_100000685342 [0,1,0,0,0,1|2,0,0]=4 12434 B19R2.1033509 O=C(NCCc1ccccn1)C2CCCCCC2 11a_100000211156_100000749507 [0,1,0,0,0,1|1,0,0]=3 12435 B19R2.1033509 O=C(NCCc1ccccn1)C2CCCCCC2 1626a_100000211156_100000749507 [0,1,0,0,0,1|1,0,0]=3 12436 B19R2.1033509 O=C(NCCc1ccccn1)C2CCCCCC2 240690a_100000211156_100000749507 [0,1,0,0,0,1|1,0,0]=3 12437 B19R2.1033509 O=C(NCCc1ccccn1)C2CCCCCC2 527a_100000211156_100000749507 [0,1,0,0,0,1|1,0,0]=3 12438 B19R2.1033509 O=C(NCCc1ccccn1)N2CCCCCC2 2708a_100000211156_100000185865 [0,1,0,0,0,1|2,0,0]=4 12439 B19R2.1033509 O=C(NCCc1ccccn1)N2CCCCCC2 273464a_100000211156_100000185865 [0,1,0,0,0,1|2,0,0]=4 12440 B19R2.1033509 O=C(NCCc1cccnc1)C2CCCCCC2 11a_100000736294_100000749507 [0,1,0,0,0,1|1,0,0]=3 12441 B19R2.1033509 O=C(NCCc1cccnc1)C2CCCCCC2 1626a_100000736294_100000749507 [0,1,0,0,0,1|1,0,0]=3 12442 B19R2.1033509 O=C(NCCc1cccnc1)C2CCCCCC2 240690a_100000736294_100000749507 [0,1,0,0,0,1|1,0,0]=3 12443 B19R2.1033509 O=C(NCCc1cccnc1)C2CCCCCC2 527a_100000736294_100000749507 [0,1,0,0,0,1|1,0,0]=3 12444 B19R2.1033509 O=C(NCCc1cccnc1)N2CCCCCC2 2708a_100000736294_100000185865 [0,1,0,0,0,1|2,0,0]=4 12445 B19R2.1033509 O=C(NCCc1cccnc1)N2CCCCCC2 273464a_100000736294_100000185865 [0,1,0,0,0,1|2,0,0]=4 12446 B19R2.1033509 O=C(NCCc1ccncc1)C2CCCCCC2 11a_100000742849_100000749507 [0,1,0,0,0,1|1,0,0]=3 12447 B19R2.1033509 O=C(NCCc1ccncc1)C2CCCCCC2 1626a_100000742849_100000749507 [0,1,0,0,0,1|1,0,0]=3 12448 B19R2.1033509 O=C(NCCc1ccncc1)C2CCCCCC2 240690a_100000742849_100000749507 [0,1,0,0,0,1|1,0,0]=3 12449 B19R2.1033509 O=C(NCCc1ccncc1)C2CCCCCC2 527a_100000742849_100000749507 [0,1,0,0,0,1|1,0,0]=3 12450 B19R2.1033509 O=C(NCCc1ccncc1)N2CCCCCC2 2708a_100000742849_100000185865 [0,1,0,0,0,1|2,0,0]=4 12451 B19R2.1033509 O=C(NCCc1ccncc1)N2CCCCCC2 273464a_100000742849_100000185865 [0,1,0,0,0,1|2,0,0]=4 12452 B19R2.1033509 O=C(NCCc1cnccn1)C2CCCCCC2 11a_100000723456_100000749507 [0,1,0,0,0,1|2,0,0]=4 12453 B19R2.1033509 O=C(NCCc1cnccn1)C2CCCCCC2 1626a_100000723456_100000749507 [0,1,0,0,0,1|2,0,0]=4 12454 B19R2.1033509 O=C(NCCc1cnccn1)C2CCCCCC2 240690a_100000723456_100000749507 [0,1,0,0,0,1|2,0,0]=4 12455 B19R2.1033509 O=C(NCCc1cnccn1)C2CCCCCC2 527a_100000723456_100000749507 [0,1,0,0,0,1|2,0,0]=4 12456 B19R2.1033509 O=C(NNCc1ccccc1)C2CCCCCC2 22a_100000007032_100000749507 [0,1,0,0,0,1|1,0,0]=3 12457 B19R2.1033509 O=C(NNCc1ccccn1)C2CCCCCC2 22a_100000736832_100000749507 [0,1,0,0,0,1|2,0,0]=4 12458 B19R2.1033509 O=C(NNCc1cccnc1)C2CCCCCC2 22a_100000738295_100000749507 [0,1,0,0,0,1|2,0,0]=4 12459 B19R2.1033509 O=C(NNCc1ccncc1)C2CCCCCC2 22a_100000736929_100000749507 [0,1,0,0,0,1|2,0,0]=4 12460 B19R2.7325 CC(Cc1ccccc1)NC2CCCCNC2=O 34a_100000698827_200011218536 [0,2,0,0,0,0|1,0,1]=4 12461 B19R2.7325 CC(Cc1ccccc1)OC2CCCCCC2=O 7a_100000748627_100000243696 [0,2,0,0,0,0|1,0,1]=4 12462 B19R2.7325 CC(Cc1ccccc1)SC2CCCCCC2=O 62a_100000243696_200011218536 [0,2,0,0,0,0|1,0,1]=4 12463 B19R2.7325 CC(Cc1ccccc1)SC2CCCCCC2=O 62a_200011218536_100000243696 [0,2,0,0,0,0|1,0,1]=4 12464 B19R2.7327 CN(CCc1ccccc1)C2CCCCCC2=O 269982a_100000207497_100000243696 [0,2,0,0,0,0|0,0,1]=3 12465 B19R2.7327 CN(CCc1ccccc1)C2CCCCNC2=O 2230a_100000207497_100000735217 [0,2,0,0,0,0|1,0,1]=4 12466 B19R2.7327 CN(CCc1ccccc1)C2CCCCNC2=O 269982a_100000207497_100000735217 [0,2,0,0,0,0|1,0,1]=4 12467 B19R2.7327 CN(CCc1ccccn1)C2CCCCCC2=O 269982a_100000737206_100000243696 [0,2,0,0,0,0|1,0,1]=4 12468 B19R2.7327 CN(CCc1cccnc1)C2CCCCCC2=O 269982a_100000763209_100000243696 [0,2,0,0,0,0|1,0,1]=4 12469 B19R2.7327 CN(CCc1ccncc1)C2CCCCCC2=O 269982a_100000742850_100000243696 [0,2,0,0,0,0|1,0,1]=4 12470 B19R2.7327 CN1CCCCCC1C(=O)CCc2ccccc2 1458a_100015187800_100000765856 [0,2,0,0,0,0|2,0,0]=4 12471 B19R2.7327 O=C1CCCCCC1C(=O)CCc2ccccc2 1458a_100000185753_100000243696 [0,2,0,0,0,0|1,0,1]=4 12472 B19R2.7336 CC(CNC1CCCCNC1=O)c2ccccc2 2230a_100000698827_100000756946 [0,2,0,0,0,0|1,0,1]=4 12473 B19R2.7336 CC(CNC1CCCCNC1=O)c2ccccc2 2230a_100000701038_100000735217 [0,2,0,0,0,0|1,0,1]=4 12474 B19R2.7336 CC(CNC1CCCCNC1=O)c2ccccc2 270004a_100000698827_100000212034 [0,2,0,0,0,0|1,0,1]=4 12475 B19R2.7336 CC(CNC1CCCCNC1=O)c2ccccc2 34a_100000698827_100000756946 [0,2,0,0,0,0|1,0,1]=4 12476 B19R2.7336 CC(COC1CCCCCC1=O)c2ccccc2 7a_100011215166_100000243696 [0,2,0,0,0,0|1,0,1]=4 12477 B19R2.7336 CC(CSC1CCCCCC1=O)c2ccccc2 62a_100000243696_100000756946 [0,2,0,0,0,0|1,0,1]=4 12478 B19R2.7336 CC(CSC1CCCCCC1=O)c2ccccc2 62a_100000756946_100000243696 [0,2,0,0,0,0|1,0,1]=4 12479 B19R2.7336 O=C1CCCCCC1SCC(O)c2ccccc2 62a_100000185958_100000243696 [0,2,0,0,0,0|1,0,1]=4 12480 B19R2.7336 O=C1CCCCCC1SCC(O)c2ccccc2 62a_100000243696_100000185958 [0,2,0,0,0,0|1,0,1]=4 12481 B19R2.7336 O=C1CCCCCC1SC[C@@H](O)c2ccccc2 62a_100000243696_100011933945 [0,2,0,0,0,0|1,0,1]=4 12482 B19R2.7336 O=C1CCCCCC1SC[C@@H](O)c2ccccc2 62a_100011933945_100000243696 [0,2,0,0,0,0|1,0,1]=4 12483 B19R2.7336 O=C1NCCCCC1NCC(O)c2ccccc2 2230a_100000210709_100000735217 [0,2,0,0,0,0|1,0,1]=4 12484 B19R2.7336 O=C1NCCCCC1NCC(O)c2ccccc2 2230a_100000698827_100000185958 [0,2,0,0,0,0|1,0,1]=4 12485 B19R2.7336 O=C1NCCCCC1NCC(O)c2ccccc2 34a_100000698827_100000185958 [0,2,0,0,0,0|1,0,1]=4 12486 B19R2.7336 O=C1NCCCCC1NC[C@@H](O)c2ccccc2 2230a_100000698827_100011933945 [0,2,0,0,0,0|1,0,1]=4 12487 B19R2.7336 O=C1NCCCCC1NC[C@@H](O)c2ccccc2 34a_100000698827_100011933945 [0,2,0,0,0,0|1,0,1]=4 12488 B19R2.48098 Cc1cccc(c1)CCNC2CCCCNC2=O 2230a_100000698827_100011713685 [0,2,0,0,0,0|1,0,1]=4 12489 B19R2.48098 Cc1cccc(c1)CCNC2CCCCNC2=O 2230a_100000749837_100000735217 [0,2,0,0,0,0|1,0,1]=4 12490 B19R2.48098 Cc1cccc(c1)CCNC2CCCCNC2=O 34a_100000698827_100011713685 [0,2,0,0,0,0|1,0,1]=4 12491 B19R2.48098 Cc1cccc(c1)CCOC2CCCCCC2=O 7a_100011217157_100000243696 [0,2,0,0,0,0|1,0,1]=4 12492 B19R2.48098 Cc1cccc(c1)CCSC2CCCCCC2=O 62a_100000243696_100011713685 [0,2,0,0,0,0|1,0,1]=4 12493 B19R2.48098 Cc1cccc(c1)CCSC2CCCCCC2=O 62a_100011713685_100000243696 [0,2,0,0,0,0|1,0,1]=4 12494 B19R2.48098 O=C1CCCCCC1OCCc2cccc(c2)Br 7a_100011217444_100000243696 [0,2,0,0,0,0|1,0,1]=4 12495 B19R2.48098 O=C1CCCCCC1OCCc2cccc(c2)Cl 7a_100000754733_100000243696 [0,2,0,0,0,0|1,0,1]=4 12496 B19R2.48098 O=C1CCCCCC1OCCc2cccc(c2)F 7a_100000763591_100000243696 [0,2,0,0,0,0|1,0,1]=4 12497 B19R2.48098 O=C1CCCCCC1SCCc2cccc(c2)Br 62a_100000243696_100011740638 [0,2,0,0,0,0|1,0,1]=4 12498 B19R2.48098 O=C1CCCCCC1SCCc2cccc(c2)Br 62a_100011740638_100000243696 [0,2,0,0,0,0|1,0,1]=4 12499 B19R2.48098 O=C1CCCCCC1SCCc2cccc(c2)Cl 62a_100000243696_100011713710 [0,2,0,0,0,0|1,0,1]=4 12500 B19R2.48098 O=C1CCCCCC1SCCc2cccc(c2)Cl 62a_100011713710_100000243696 [0,2,0,0,0,0|1,0,1]=4 12501 B19R2.48098 O=C1CCCCCC1SCCc2cccc(c2)F 62a_100000243696_100011217235 [0,2,0,0,0,0|1,0,1]=4 12502 B19R2.48098 O=C1CCCCCC1SCCc2cccc(c2)F 62a_100011217235_100000243696 [0,2,0,0,0,0|1,0,1]=4 12503 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)Br 2230a_100000698827_100011740638 [0,2,0,0,0,0|1,0,1]=4 12504 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)Br 2230a_100011207229_100000735217 [0,2,0,0,0,0|1,0,1]=4 12505 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)Br 34a_100000698827_100011740638 [0,2,0,0,0,0|1,0,1]=4 12506 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)Cl 2230a_100000185263_100000735217 [0,2,0,0,0,0|1,0,1]=4 12507 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)Cl 2230a_100000698827_100011713710 [0,2,0,0,0,0|1,0,1]=4 12508 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)Cl 34a_100000698827_100011713710 [0,2,0,0,0,0|1,0,1]=4 12509 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)F 2230a_100000205154_100000735217 [0,2,0,0,0,0|1,0,1]=4 12510 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)F 2230a_100000698827_100011217235 [0,2,0,0,0,0|1,0,1]=4 12511 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)F 34a_100000698827_100011217235 [0,2,0,0,0,0|1,0,1]=4 12512 B19R2.48098 O=C1NCCCCC1NCCc2cccc(c2)O 2230a_100000747277_100000735217 [0,2,0,0,0,0|1,0,1]=4 12513 B19R2.62771 CN1CCCCC(C1=O)NCCc2ccccc2 2230a_100159325733_100000765856 [0,2,0,0,0,0|1,0,1]=4 12514 B19R2.62771 CN1CCCCC(C1=O)NCCc2ccccc2 34a_100159325733_100000765856 [0,2,0,0,0,0|1,0,1]=4 12515 B19R2.94449 Cc1ccccc1CCNC2CCCCNC2=O 2230a_100000685071_100000735217 [0,2,0,0,0,0|1,0,1]=4 12516 B19R2.94449 Cc1ccccc1CCNC2CCCCNC2=O 2230a_100000698827_100011713688 [0,2,0,0,0,0|1,0,1]=4 12517 B19R2.94449 Cc1ccccc1CCNC2CCCCNC2=O 34a_100000698827_100011713688 [0,2,0,0,0,0|1,0,1]=4 12518 B19R2.94449 Cc1ccccc1CCOC2CCCCCC2=O 7a_100011220023_100000243696 [0,2,0,0,0,0|1,0,1]=4 12519 B19R2.94449 Cc1ccccc1CCSC2CCCCCC2=O 62a_100000243696_100011713688 [0,2,0,0,0,0|1,0,1]=4 12520 B19R2.94449 Cc1ccccc1CCSC2CCCCCC2=O 62a_100011713688_100000243696 [0,2,0,0,0,0|1,0,1]=4 12521 B19R2.94449 O=C1CCCCCC1OCCc2ccccc2Br 7a_100000731337_100000243696 [0,2,0,0,0,0|1,0,1]=4 12522 B19R2.94449 O=C1CCCCCC1OCCc2ccccc2Cl 7a_100011215284_100000243696 [0,2,0,0,0,0|1,0,1]=4 12523 B19R2.94449 O=C1CCCCCC1OCCc2ccccc2F 7a_100000753711_100000243696 [0,2,0,0,0,0|1,0,1]=4 12524 B19R2.94449 O=C1CCCCCC1OCCc2ccccc2I 7a_100010255290_100000243696 [0,2,0,0,0,0|1,0,1]=4 12525 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2Br 62a_100000243696_100012161201 [0,2,0,0,0,0|1,0,1]=4 12526 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2Br 62a_100012161201_100000243696 [0,2,0,0,0,0|1,0,1]=4 12527 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2Cl 62a_100000243696_100011713703 [0,2,0,0,0,0|1,0,1]=4 12528 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2Cl 62a_100011713703_100000243696 [0,2,0,0,0,0|1,0,1]=4 12529 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2F 62a_100000243696_100011713696 [0,2,0,0,0,0|1,0,1]=4 12530 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2F 62a_100011713696_100000243696 [0,2,0,0,0,0|1,0,1]=4 12531 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2O 62a_100000243696_100000722297 [0,2,0,0,0,0|1,0,1]=4 12532 B19R2.94449 O=C1CCCCCC1SCCc2ccccc2O 62a_100000722297_100000243696 [0,2,0,0,0,0|1,0,1]=4 12533 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Br 2230a_100000698827_100012161201 [0,2,0,0,0,0|1,0,1]=4 12534 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Br 2230a_100000747383_100000735217 [0,2,0,0,0,0|1,0,1]=4 12535 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Br 34a_100000698827_100012161201 [0,2,0,0,0,0|1,0,1]=4 12536 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Cl 2230a_100000698827_100011713703 [0,2,0,0,0,0|1,0,1]=4 12537 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Cl 2230a_100011207228_100000735217 [0,2,0,0,0,0|1,0,1]=4 12538 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Cl 270004a_100000698827_200011713468 [0,2,0,0,0,0|1,0,1]=4 12539 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2Cl 34a_100000698827_100011713703 [0,2,0,0,0,0|1,0,1]=4 12540 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2F 2230a_100000185272_100000735217 [0,2,0,0,0,0|1,0,1]=4 12541 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2F 2230a_100000698827_100011713696 [0,2,0,0,0,0|1,0,1]=4 12542 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2F 34a_100000698827_100000720011 [0,2,0,0,0,0|1,0,1]=4 12543 B19R2.94449 O=C1NCCCCC1NCCc2ccccc2O 34a_100000698827_100000722297 [0,2,0,0,0,0|1,0,1]=4 12544 B19R2.151999 Cc1ccc(cc1)CCNC2CCCCNC2=O 2230a_100000698827_100011713686 [0,2,0,0,0,0|1,0,1]=4 12545 B19R2.151999 Cc1ccc(cc1)CCNC2CCCCNC2=O 2230a_100000705350_100000735217 [0,2,0,0,0,0|1,0,1]=4 12546 B19R2.151999 Cc1ccc(cc1)CCNC2CCCCNC2=O 34a_100000698827_100011713686 [0,2,0,0,0,0|1,0,1]=4 12547 B19R2.151999 Cc1ccc(cc1)CCOC2CCCCCC2=O 7a_100000756670_100000243696 [0,2,0,0,0,0|1,0,1]=4 12548 B19R2.151999 Cc1ccc(cc1)CCSC2CCCCCC2=O 62a_100000243696_100011713686 [0,2,0,0,0,0|1,0,1]=4 12549 B19R2.151999 Cc1ccc(cc1)CCSC2CCCCCC2=O 62a_100011713686_100000243696 [0,2,0,0,0,0|1,0,1]=4 12550 B19R2.151999 O=C1CCCCCC1OCCc2ccc(cc2)Br 7a_100000766406_100000243696 [0,2,0,0,0,0|1,0,1]=4 12551 B19R2.151999 O=C1CCCCCC1OCCc2ccc(cc2)Cl 7a_100011219627_100000243696 [0,2,0,0,0,0|1,0,1]=4 12552 B19R2.151999 O=C1CCCCCC1OCCc2ccc(cc2)F 7a_100000754732_100000243696 [0,2,0,0,0,0|1,0,1]=4 12553 B19R2.151999 O=C1CCCCCC1OCCc2ccc(cc2)I 7a_100012291149_100000243696 [0,2,0,0,0,0|1,0,1]=4 12554 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)Br 62a_100000243696_100011740612 [0,2,0,0,0,0|1,0,1]=4 12555 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)Br 62a_100011740612_100000243696 [0,2,0,0,0,0|1,0,1]=4 12556 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)Cl 62a_100000243696_100011713675 [0,2,0,0,0,0|1,0,1]=4 12557 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)Cl 62a_100011713675_100000243696 [0,2,0,0,0,0|1,0,1]=4 12558 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)F 62a_100000243696_100011217392 [0,2,0,0,0,0|1,0,1]=4 12559 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)F 62a_100011217392_100000243696 [0,2,0,0,0,0|1,0,1]=4 12560 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)O 62a_100000243696_100009816426 [0,2,0,0,0,0|1,0,1]=4 12561 B19R2.151999 O=C1CCCCCC1SCCc2ccc(cc2)O 62a_100009816426_100000243696 [0,2,0,0,0,0|1,0,1]=4 12562 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)Br 2230a_100000698827_100011740612 [0,2,0,0,0,0|1,0,1]=4 12563 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)Br 2230a_100000755846_100000735217 [0,2,0,0,0,0|1,0,1]=4 12564 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)Br 34a_100000698827_100011740612 [0,2,0,0,0,0|1,0,1]=4 12565 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)Cl 2230a_100000185265_100000735217 [0,2,0,0,0,0|1,0,1]=4 12566 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)Cl 2230a_100000698827_100011713675 [0,2,0,0,0,0|1,0,1]=4 12567 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)Cl 34a_100000698827_100011713675 [0,2,0,0,0,0|1,0,1]=4 12568 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)F 2230a_100000199005_100000735217 [0,2,0,0,0,0|1,0,1]=4 12569 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)F 2230a_100000698827_100011217392 [0,2,0,0,0,0|1,0,1]=4 12570 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)F 34a_100000698827_100011217392 [0,2,0,0,0,0|1,0,1]=4 12571 B19R2.151999 O=C1NCCCCC1NCCc2ccc(cc2)O 2230a_100000698827_100009816426 [0,2,0,0,0,0|1,0,1]=4 12572 B19R2.26274 BrCc1cccc(c1)COCC2CCCCCC2 34a_100010188025_200000696569 [0,2,0,0,0,0|2,0,0]=4 12573 B19R2.26274 BrCc1cccc(c1)COCC2CCCCCC2 7a_100010188025_200000696569 [0,2,0,0,0,0|2,0,0]=4 12574 B19R2.26274 C#Cc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100011361529 [0,2,0,0,0,0|2,0,0]=4 12575 B19R2.26274 C#Cc1cccc(c1)COCC2CCCCCC2 34a_100010272118_200000696569 [0,2,0,0,0,0|2,0,0]=4 12576 B19R2.26274 C#Cc1cccc(c1)COCC2CCCCCC2 7a_100010272118_200000696569 [0,2,0,0,0,0|2,0,0]=4 12577 B19R2.26274 C=Cc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100011218069 [0,2,0,0,0,0|2,0,0]=4 12578 B19R2.26274 CCc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100011999841 [0,2,0,0,0,0|2,0,0]=4 12579 B19R2.26274 CCc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100011999841 [0,2,0,0,0,0|2,0,0]=4 12580 B19R2.26274 COc1cccc(c1)CCNC2CCCCCC2 2230a_100000210984_100011713679 [0,2,0,0,0,0|0,0,0]=2 12581 B19R2.26274 COc1cccc(c1)CCNC2CCCCCC2 270004a_100000740386_100000210131 [0,2,0,0,0,0|0,0,0]=2 12582 B19R2.26274 COc1cccc(c1)CCNC2CCCCCC2 34a_100000210984_100011713679 [0,2,0,0,0,0|0,0,0]=2 12583 B19R2.26274 COc1cccc(c1)CCNC2CCCCCC2 34a_100000740386_100011217769 [0,2,0,0,0,0|0,0,0]=2 12584 B19R2.26274 COc1cccc(c1)CCNC2CCCNCC2 270004a_100000740386_100015187895 [0,2,0,0,0,0|1,0,0]=3 12585 B19R2.26274 COc1cccc(c1)CCNC2CSCCSC2 270004a_100000740386_100000068409 [0,2,0,0,0,0|2,0,0]=4 12586 B19R2.26274 COc1cccc(c1)CCOC2CCCCCC2 34a_100000210887_100011713679 [0,2,0,0,0,0|1,0,0]=3 12587 B19R2.26274 COc1cccc(c1)CCOC2CCCCCC2 34a_100011215300_100011217769 [0,2,0,0,0,0|1,0,0]=3 12588 B19R2.26274 COc1cccc(c1)CCOC2CCCCCC2 7a_100000210887_100011713679 [0,2,0,0,0,0|1,0,0]=3 12589 B19R2.26274 COc1cccc(c1)CCSC2CCCCCC2 62a_100011217769_100011713679 [0,2,0,0,0,0|1,0,0]=3 12590 B19R2.26274 COc1cccc(c1)CCSC2CCCCCC2 62a_100011713679_100011217769 [0,2,0,0,0,0|1,0,0]=3 12591 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000170238 [0,2,0,0,0,0|2,0,0]=4 12592 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 2230a_100000174954_200000696569 [0,2,0,0,0,0|2,0,0]=4 12593 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100000211672 [0,2,0,0,0,0|2,0,0]=4 12594 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 269862a_100000174954_200000763224 [0,2,0,0,0,0|2,0,0]=4 12595 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000170238 [0,2,0,0,0,0|2,0,0]=4 12596 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 34a_100000174954_200000696569 [0,2,0,0,0,0|2,0,0]=4 12597 B19R2.26274 COc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100000688526 [0,2,0,0,0,0|2,0,0]=4 12598 B19R2.26274 COc1cccc(c1)COCC2CCCCCC2 34a_100000198976_200000696569 [0,2,0,0,0,0|2,0,0]=4 12599 B19R2.26274 COc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100000688526 [0,2,0,0,0,0|2,0,0]=4 12600 B19R2.26274 COc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000211672 [0,2,0,0,0,0|2,0,0]=4 12601 B19R2.26274 COc1cccc(c1)CSCC2CCCCCC2 62a_100000688526_200000696569 [0,2,0,0,0,0|2,0,0]=4 12602 B19R2.26274 COc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100000211672 [0,2,0,0,0,0|2,0,0]=4 12603 B19R2.26274 CSc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100011935093 [0,2,0,0,0,0|2,0,0]=4 12604 B19R2.26274 CSc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100011935093 [0,2,0,0,0,0|2,0,0]=4 12605 B19R2.26274 ClCc1cccc(c1)COCC2CCCCCC2 34a_200000090956_200000696569 [0,2,0,0,0,0|2,0,0]=4 12606 B19R2.26274 ClCc1cccc(c1)COCC2CCCCCC2 7a_200000090956_200000696569 [0,2,0,0,0,0|2,0,0]=4 12607 B19R2.26274 N#Cc1cccc(c1)CCOC2CCCCCC2 34a_100012001419_100011217769 [0,2,0,0,0,0|1,0,0]=3 12608 B19R2.26274 N#Cc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_100000241001 [0,2,0,0,0,0|2,0,0]=4 12609 B19R2.26274 N#Cc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100000233786 [0,2,0,0,0,0|2,0,0]=4 12610 B19R2.26274 N#Cc1cccc(c1)CNCC2CCCCCC2 269862a_100000755147_200000763224 [0,2,0,0,0,0|2,0,0]=4 12611 B19R2.26274 N#Cc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_100000241001 [0,2,0,0,0,0|2,0,0]=4 12612 B19R2.26274 N#Cc1cccc(c1)CNCC2CCCCCC2 34a_100000755147_200000696569 [0,2,0,0,0,0|2,0,0]=4 12613 B19R2.26274 N#Cc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100000233786 [0,2,0,0,0,0|2,0,0]=4 12614 B19R2.26274 N#Cc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100000233786 [0,2,0,0,0,0|2,0,0]=4 12615 B19R2.26274 N#Cc1cccc(c1)COCC2CCCCCC2 34a_100000753308_200000696569 [0,2,0,0,0,0|2,0,0]=4 12616 B19R2.26274 N#Cc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100000233786 [0,2,0,0,0,0|2,0,0]=4 12617 B19R2.26274 N#Cc1cccc(c1)COCC2CCCCCC2 7a_100000753308_200000696569 [0,2,0,0,0,0|2,0,0]=4 12618 B19R2.26274 N#Cc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100000233786 [0,2,0,0,0,0|2,0,0]=4 12619 B19R2.26274 NCc1cccc(c1)COCC2CCCCCC2 34a_100011269909_200000696569 [0,2,0,0,0,0|2,0,0]=4 12620 B19R2.26274 O=Cc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100009816774 [0,2,0,0,0,0|2,0,0]=4 12621 B19R2.26274 O=Cc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100009816774 [0,2,0,0,0,0|2,0,0]=4 12622 B19R2.26274 O=Cc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100009816774 [0,2,0,0,0,0|2,0,0]=4 12623 B19R2.26274 O=Cc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100009816774 [0,2,0,0,0,0|2,0,0]=4 12624 B19R2.26274 O=Cc1cccc(c1)CSCC2CCCCCC2 62a_100009816774_200000696569 [0,2,0,0,0,0|2,0,0]=4 12625 B19R2.26274 O=Cc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100009816774 [0,2,0,0,0,0|2,0,0]=4 12626 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 207a_100015204231_200000050894 [0,2,0,0,0,0|2,0,0]=4 12627 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 2230a_100011269909_200000696569 [0,2,0,0,0,0|2,0,0]=4 12628 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 2230a_100015204231_100010188025 [0,2,0,0,0,0|2,0,0]=4 12629 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 269862a_100011269909_200000763224 [0,2,0,0,0,0|2,0,0]=4 12630 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 270004a_100015204231_200000050894 [0,2,0,0,0,0|2,0,0]=4 12631 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 34a_100011269909_200000696569 [0,2,0,0,0,0|2,0,0]=4 12632 B19R2.26274 OCc1cccc(c1)CNCC2CCCCCC2 34a_100015204231_100010188025 [0,2,0,0,0,0|2,0,0]=4 12633 B19R2.26274 OCc1cccc(c1)COCC2CCCCCC2 34a_100000699130_100010188025 [0,2,0,0,0,0|2,0,0]=4 12634 B19R2.26274 OCc1cccc(c1)COCC2CCCCCC2 7a_100000699130_100010188025 [0,2,0,0,0,0|2,0,0]=4 12635 B19R2.26274 OCc1cccc(c1)CSCC2CCCCCC2 62a_100010188025_200000696569 [0,2,0,0,0,0|2,0,0]=4 12636 B19R2.26274 OCc1cccc(c1)CSCC2CCCCCC2 62a_200000696569_100010188025 [0,2,0,0,0,0|2,0,0]=4 12637 B19R2.44872 Brc1cc(cc(c1)CCOC2CCCCCC2)Br 34a_100010243668_100011217769 [0,2,0,0,0,0|1,0,0]=3 12638 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 207a_100015204231_100000719502 [0,2,0,0,0,0|2,0,0]=4 12639 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 2230a_100015204231_100011216082 [0,2,0,0,0,0|2,0,0]=4 12640 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 2230a_100015211796_200000696569 [0,2,0,0,0,0|2,0,0]=4 12641 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 269862a_100015204231_100000719502 [0,2,0,0,0,0|2,0,0]=4 12642 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 269862a_100015211796_200000763224 [0,2,0,0,0,0|2,0,0]=4 12643 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100000719502 [0,2,0,0,0,0|2,0,0]=4 12644 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 34a_100015204231_100011216082 [0,2,0,0,0,0|2,0,0]=4 12645 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)Br 34a_100015211796_200000696569 [0,2,0,0,0,0|2,0,0]=4 12646 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)I 207a_100015204231_100010185649 [0,2,0,0,0,0|2,0,0]=4 12647 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)I 2230a_100015204231_100010146614 [0,2,0,0,0,0|2,0,0]=4 12648 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)I 269862a_100015204231_100010185649 [0,2,0,0,0,0|2,0,0]=4 12649 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)I 270004a_100015204231_100010185649 [0,2,0,0,0,0|2,0,0]=4 12650 B19R2.44872 Brc1cc(cc(c1)CNCC2CCCCCC2)I 34a_100015204231_100010146614 [0,2,0,0,0,0|2,0,0]=4 12651 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100000699130_100011216082 [0,2,0,0,0,0|2,0,0]=4 12652 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100011218366_200000696569 [0,2,0,0,0,0|2,0,0]=4 12653 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100000699130_100011216082 [0,2,0,0,0,0|2,0,0]=4 12654 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100011218366_200000696569 [0,2,0,0,0,0|2,0,0]=4 12655 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)I 34a_100000699130_100010146614 [0,2,0,0,0,0|2,0,0]=4 12656 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)I 7a_100000699130_100010146614 [0,2,0,0,0,0|2,0,0]=4 12657 B19R2.44872 Brc1cc(cc(c1)COCC2CCCCCC2)I 7a_100009814756_200000696569 [0,2,0,0,0,0|2,0,0]=4 12658 B19R2.44872 Brc1cc(cc(c1)NCCC2CCCCCC2)Br 27a_100011532351_100009814770 [0,2,0,0,0,0|2,0,0]=4 12659 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Br 207a_100015204231_100000686105 [0,2,0,0,0,0|2,0,0]=4 12660 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Br 2230a_100015204231_100012348363 [0,2,0,0,0,0|2,0,0]=4 12661 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Br 269862a_100015204231_100000686105 [0,2,0,0,0,0|2,0,0]=4 12662 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100000686105 [0,2,0,0,0,0|2,0,0]=4 12663 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Br 34a_100015204231_100012348363 [0,2,0,0,0,0|2,0,0]=4 12664 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 207a_100015204231_100000745632 [0,2,0,0,0,0|2,0,0]=4 12665 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 2230a_100015204231_100000181317 [0,2,0,0,0,0|2,0,0]=4 12666 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 2230a_100020591340_200000696569 [0,2,0,0,0,0|2,0,0]=4 12667 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 269862a_100020591340_200000763224 [0,2,0,0,0,0|2,0,0]=4 12668 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 270004a_100015204231_100000745632 [0,2,0,0,0,0|2,0,0]=4 12669 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 34a_100015204231_100000181317 [0,2,0,0,0,0|2,0,0]=4 12670 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)C 34a_100020591340_200000696569 [0,2,0,0,0,0|2,0,0]=4 12671 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100000684525 [0,2,0,0,0,0|2,0,0]=4 12672 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100000684525 [0,2,0,0,0,0|2,0,0]=4 12673 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 207a_100015204231_100011217087 [0,2,0,0,0,0|2,0,0]=4 12674 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 2230a_100011830484_200000696569 [0,2,0,0,0,0|2,0,0]=4 12675 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 2230a_100015204231_100011219130 [0,2,0,0,0,0|2,0,0]=4 12676 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 269862a_100011830484_200000763224 [0,2,0,0,0,0|2,0,0]=4 12677 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 270004a_100015204231_100011217087 [0,2,0,0,0,0|2,0,0]=4 12678 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 34a_100011830484_200000696569 [0,2,0,0,0,0|2,0,0]=4 12679 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)F 34a_100015204231_100011219130 [0,2,0,0,0,0|2,0,0]=4 12680 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)O 207a_100015204231_100009853434 [0,2,0,0,0,0|2,0,0]=4 12681 B19R2.44872 Cc1cc(cc(c1)CNCC2CCCCCC2)O 270004a_100015204231_100009853434 [0,2,0,0,0,0|2,0,0]=4 12682 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100000699130_100012348363 [0,2,0,0,0,0|2,0,0]=4 12683 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100000720511_200000696569 [0,2,0,0,0,0|2,0,0]=4 12684 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100000699130_100012348363 [0,2,0,0,0,0|2,0,0]=4 12685 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100000720511_200000696569 [0,2,0,0,0,0|2,0,0]=4 12686 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)C 34a_100000699130_100000181317 [0,2,0,0,0,0|2,0,0]=4 12687 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)C 34a_100011216556_200000696569 [0,2,0,0,0,0|2,0,0]=4 12688 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)C 7a_100000699130_100000181317 [0,2,0,0,0,0|2,0,0]=4 12689 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)C 7a_100011216556_200000696569 [0,2,0,0,0,0|2,0,0]=4 12690 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)F 34a_100000699130_100011219130 [0,2,0,0,0,0|2,0,0]=4 12691 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)F 34a_100011217934_200000696569 [0,2,0,0,0,0|2,0,0]=4 12692 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)F 7a_100000699130_100011219130 [0,2,0,0,0,0|2,0,0]=4 12693 B19R2.44872 Cc1cc(cc(c1)COCC2CCCCCC2)F 7a_100011217934_200000696569 [0,2,0,0,0,0|2,0,0]=4 12694 B19R2.44872 Cc1cc(cc(c1)CSCC2CCCCCC2)Br 62a_100012348363_200000696569 [0,2,0,0,0,0|2,0,0]=4 12695 B19R2.44872 Cc1cc(cc(c1)CSCC2CCCCCC2)Br 62a_200000696569_100012348363 [0,2,0,0,0,0|2,0,0]=4 12696 B19R2.44872 Cc1cc(cc(c1)CSCC2CCCCCC2)C 62a_100000181317_200000696569 [0,2,0,0,0,0|2,0,0]=4 12697 B19R2.44872 Cc1cc(cc(c1)CSCC2CCCCCC2)C 62a_200000696569_100000181317 [0,2,0,0,0,0|2,0,0]=4 12698 B19R2.44872 Cc1cc(cc(c1)CSCC2CCCCCC2)F 62a_100011219130_200000696569 [0,2,0,0,0,0|2,0,0]=4 12699 B19R2.44872 Cc1cc(cc(c1)CSCC2CCCCCC2)F 62a_200000696569_100011219130 [0,2,0,0,0,0|2,0,0]=4 12700 B19R2.44872 Cc1cc(nc(n1)CCNC2CCCCCC2)C 270004a_100000754020_100000210131 [0,2,0,0,0,0|2,0,0]=4 12701 B19R2.44872 Clc1cc(cc(c1)CCNC2CCCCCC2)Cl 2230a_100000210984_100000691793 [0,2,0,0,0,0|0,0,0]=2 12702 B19R2.44872 Clc1cc(cc(c1)CCNC2CCCCCC2)Cl 270004a_100000746052_100000210131 [0,2,0,0,0,0|0,0,0]=2 12703 B19R2.44872 Clc1cc(cc(c1)CCNC2CCCCCC2)Cl 34a_100000210984_100000691793 [0,2,0,0,0,0|0,0,0]=2 12704 B19R2.44872 Clc1cc(cc(c1)CCNC2CCCCCC2)Cl 34a_100000746052_100011217769 [0,2,0,0,0,0|0,0,0]=2 12705 B19R2.44872 Clc1cc(cc(c1)CCNC2CCCNCC2)Cl 270004a_100000746052_100015187895 [0,2,0,0,0,0|1,0,0]=3 12706 B19R2.44872 Clc1cc(cc(c1)CCNC2CSCCSC2)Cl 270004a_100000746052_100000068409 [0,2,0,0,0,0|2,0,0]=4 12707 B19R2.44872 Clc1cc(cc(c1)CCOC2CCCCCC2)Cl 34a_100000210887_100000691793 [0,2,0,0,0,0|1,0,0]=3 12708 B19R2.44872 Clc1cc(cc(c1)CCOC2CCCCCC2)Cl 34a_100000720051_100011217769 [0,2,0,0,0,0|1,0,0]=3 12709 B19R2.44872 Clc1cc(cc(c1)CCOC2CCCCCC2)Cl 7a_100000210887_100000691793 [0,2,0,0,0,0|1,0,0]=3 12710 B19R2.44872 Clc1cc(cc(c1)CCSC2CCCCCC2)Cl 62a_100000691793_100011217769 [0,2,0,0,0,0|1,0,0]=3 12711 B19R2.44872 Clc1cc(cc(c1)CCSC2CCCCCC2)Cl 62a_100011217769_100000691793 [0,2,0,0,0,0|1,0,0]=3 12712 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Br 207a_100015204231_100011934515 [0,2,0,0,0,0|2,0,0]=4 12713 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Br 269862a_100015204231_100011934515 [0,2,0,0,0,0|2,0,0]=4 12714 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100011934515 [0,2,0,0,0,0|2,0,0]=4 12715 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100000741761 [0,2,0,0,0,0|2,0,0]=4 12716 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Cl 2230a_100011211636_200000696569 [0,2,0,0,0,0|2,0,0]=4 12717 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Cl 2230a_100015204231_100000685807 [0,2,0,0,0,0|2,0,0]=4 12718 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Cl 269862a_100011211636_200000763224 [0,2,0,0,0,0|2,0,0]=4 12719 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100000741761 [0,2,0,0,0,0|2,0,0]=4 12720 B19R2.44872 Clc1cc(cc(c1)CNCC2CCCCCC2)Cl 34a_100011211636_200000696569 [0,2,0,0,0,0|2,0,0]=4 12721 B19R2.44872 Clc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100012353933_200000696569 [0,2,0,0,0,0|2,0,0]=4 12722 B19R2.44872 Clc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100012353933_200000696569 [0,2,0,0,0,0|2,0,0]=4 12723 B19R2.44872 Clc1cc(cc(c1)COCC2CCCCCC2)Cl 34a_100011218629_200000696569 [0,2,0,0,0,0|2,0,0]=4 12724 B19R2.44872 Clc1cc(cc(c1)COCC2CCCCCC2)Cl 7a_100000699130_100011219208 [0,2,0,0,0,0|2,0,0]=4 12725 B19R2.44872 Clc1cc(cc(c1)COCC2CCCCCC2)Cl 7a_100011218629_200000696569 [0,2,0,0,0,0|2,0,0]=4 12726 B19R2.44872 Fc1cc(cc(c1)CCNC2CCCCCC2)F 2230a_100000210984_100011754442 [0,2,0,0,0,0|0,0,0]=2 12727 B19R2.44872 Fc1cc(cc(c1)CCNC2CCCCCC2)F 270004a_100000748410_100000210131 [0,2,0,0,0,0|0,0,0]=2 12728 B19R2.44872 Fc1cc(cc(c1)CCNC2CCCCCC2)F 34a_100000210984_100011754442 [0,2,0,0,0,0|0,0,0]=2 12729 B19R2.44872 Fc1cc(cc(c1)CCNC2CCCCCC2)F 34a_100000748410_100011217769 [0,2,0,0,0,0|0,0,0]=2 12730 B19R2.44872 Fc1cc(cc(c1)CCNC2CCCNCC2)F 270004a_100000748410_100015187895 [0,2,0,0,0,0|1,0,0]=3 12731 B19R2.44872 Fc1cc(cc(c1)CCNC2CSCCSC2)F 270004a_100000748410_100000068409 [0,2,0,0,0,0|2,0,0]=4 12732 B19R2.44872 Fc1cc(cc(c1)CCOC2CCCCCC2)Br 34a_100012630564_100011217769 [0,2,0,0,0,0|1,0,0]=3 12733 B19R2.44872 Fc1cc(cc(c1)CCOC2CCCCCC2)F 34a_100000210887_100011754442 [0,2,0,0,0,0|1,0,0]=3 12734 B19R2.44872 Fc1cc(cc(c1)CCOC2CCCCCC2)F 34a_100011754358_100011217769 [0,2,0,0,0,0|1,0,0]=3 12735 B19R2.44872 Fc1cc(cc(c1)CCOC2CCCCCC2)F 7a_100000210887_100011754442 [0,2,0,0,0,0|1,0,0]=3 12736 B19R2.44872 Fc1cc(cc(c1)CCSC2CCCCCC2)F 62a_100011217769_100011754442 [0,2,0,0,0,0|1,0,0]=3 12737 B19R2.44872 Fc1cc(cc(c1)CCSC2CCCCCC2)F 62a_100011754442_100011217769 [0,2,0,0,0,0|1,0,0]=3 12738 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 207a_100015204231_100011794424 [0,2,0,0,0,0|2,0,0]=4 12739 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 2230a_100015204231_100000766940 [0,2,0,0,0,0|2,0,0]=4 12740 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 2230a_100020611034_200000696569 [0,2,0,0,0,0|2,0,0]=4 12741 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 269862a_100015204231_100011794424 [0,2,0,0,0,0|2,0,0]=4 12742 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 269862a_100020611034_200000763224 [0,2,0,0,0,0|2,0,0]=4 12743 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100011794424 [0,2,0,0,0,0|2,0,0]=4 12744 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 34a_100015204231_100000766940 [0,2,0,0,0,0|2,0,0]=4 12745 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Br 34a_100020611034_200000696569 [0,2,0,0,0,0|2,0,0]=4 12746 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100000703917 [0,2,0,0,0,0|2,0,0]=4 12747 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 2230a_100015204231_100011219885 [0,2,0,0,0,0|2,0,0]=4 12748 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 2230a_100137329012_200000696569 [0,2,0,0,0,0|2,0,0]=4 12749 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 269862a_100015204231_100000703917 [0,2,0,0,0,0|2,0,0]=4 12750 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 269862a_100137329012_200000763224 [0,2,0,0,0,0|2,0,0]=4 12751 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100000703917 [0,2,0,0,0,0|2,0,0]=4 12752 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 34a_100015204231_100011219885 [0,2,0,0,0,0|2,0,0]=4 12753 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)Cl 34a_100137329012_200000696569 [0,2,0,0,0,0|2,0,0]=4 12754 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 207a_100015204231_100000743029 [0,2,0,0,0,0|2,0,0]=4 12755 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 2230a_100000737602_200000696569 [0,2,0,0,0,0|2,0,0]=4 12756 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 2230a_100015204231_100000697002 [0,2,0,0,0,0|2,0,0]=4 12757 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 269862a_100000737602_200000763224 [0,2,0,0,0,0|2,0,0]=4 12758 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 269862a_100015204231_100000743029 [0,2,0,0,0,0|2,0,0]=4 12759 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 270004a_100015204231_100000743029 [0,2,0,0,0,0|2,0,0]=4 12760 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 34a_100000737602_200000696569 [0,2,0,0,0,0|2,0,0]=4 12761 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)F 34a_100015204231_100000697002 [0,2,0,0,0,0|2,0,0]=4 12762 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)I 207a_100015204231_100010185655 [0,2,0,0,0,0|2,0,0]=4 12763 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)I 2230a_100015204231_100010149605 [0,2,0,0,0,0|2,0,0]=4 12764 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)I 269862a_100015204231_100010185655 [0,2,0,0,0,0|2,0,0]=4 12765 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)I 270004a_100015204231_100010185655 [0,2,0,0,0,0|2,0,0]=4 12766 B19R2.44872 Fc1cc(cc(c1)CNCC2CCCCCC2)I 34a_100015204231_100010149605 [0,2,0,0,0,0|2,0,0]=4 12767 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100000699130_100000766940 [0,2,0,0,0,0|2,0,0]=4 12768 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Br 34a_100000766897_200000696569 [0,2,0,0,0,0|2,0,0]=4 12769 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100000699130_100000766940 [0,2,0,0,0,0|2,0,0]=4 12770 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Br 7a_100000766897_200000696569 [0,2,0,0,0,0|2,0,0]=4 12771 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Cl 34a_100000699130_100011219885 [0,2,0,0,0,0|2,0,0]=4 12772 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Cl 34a_100011217560_200000696569 [0,2,0,0,0,0|2,0,0]=4 12773 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Cl 7a_100000699130_100011219885 [0,2,0,0,0,0|2,0,0]=4 12774 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)Cl 7a_100011217560_200000696569 [0,2,0,0,0,0|2,0,0]=4 12775 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)F 34a_100000699130_100000697002 [0,2,0,0,0,0|2,0,0]=4 12776 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)F 34a_100011215443_200000696569 [0,2,0,0,0,0|2,0,0]=4 12777 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)F 7a_100000699130_100000697002 [0,2,0,0,0,0|2,0,0]=4 12778 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)F 7a_100011215443_200000696569 [0,2,0,0,0,0|2,0,0]=4 12779 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)I 34a_100000699130_100010149605 [0,2,0,0,0,0|2,0,0]=4 12780 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)I 34a_100010149598_200000696569 [0,2,0,0,0,0|2,0,0]=4 12781 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)I 7a_100000699130_100010149605 [0,2,0,0,0,0|2,0,0]=4 12782 B19R2.44872 Fc1cc(cc(c1)COCC2CCCCCC2)I 7a_100010149598_200000696569 [0,2,0,0,0,0|2,0,0]=4 12783 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)Br 62a_100000766940_200000696569 [0,2,0,0,0,0|2,0,0]=4 12784 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)Br 62a_200000696569_100000766940 [0,2,0,0,0,0|2,0,0]=4 12785 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)Cl 62a_100011219885_200000696569 [0,2,0,0,0,0|2,0,0]=4 12786 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)Cl 62a_200000696569_100011219885 [0,2,0,0,0,0|2,0,0]=4 12787 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)F 62a_100000697002_200000696569 [0,2,0,0,0,0|2,0,0]=4 12788 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)F 62a_200000696569_100000697002 [0,2,0,0,0,0|2,0,0]=4 12789 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)I 62a_100010149605_200000696569 [0,2,0,0,0,0|2,0,0]=4 12790 B19R2.44872 Fc1cc(cc(c1)CSCC2CCCCCC2)I 62a_200000696569_100010149605 [0,2,0,0,0,0|2,0,0]=4 12791 B19R2.44872 Ic1cc(cc(c1)CNCC2CCCCCC2)I 207a_100015204231_100010185653 [0,2,0,0,0,0|2,0,0]=4 12792 B19R2.44872 Ic1cc(cc(c1)CNCC2CCCCCC2)I 269862a_100015204231_100010185653 [0,2,0,0,0,0|2,0,0]=4 12793 B19R2.44872 Ic1cc(cc(c1)COCC2CCCCCC2)I 7a_100010205817_200000696569 [0,2,0,0,0,0|2,0,0]=4 12794 B19R2.44872 Nc1cc(cc(c1)COCC2CCCCCC2)Cl 34a_100012002482_200000696569 [0,2,0,0,0,0|2,0,0]=4 12795 B19R2.44872 Nc1cc(cc(c1)COCC2CCCCCC2)Cl 7a_100012002482_200000696569 [0,2,0,0,0,0|2,0,0]=4 12796 B19R2.44872 Nc1cc(cc(c1)COCC2CCCCCC2)N 34a_100000032468_200000696569 [0,2,0,0,0,0|2,0,0]=4 12797 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Br 207a_100015204231_100010176088 [0,2,0,0,0,0|2,0,0]=4 12798 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100010176088 [0,2,0,0,0,0|2,0,0]=4 12799 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100000050827 [0,2,0,0,0,0|2,0,0]=4 12800 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Cl 2230a_107254831445_200000696569 [0,2,0,0,0,0|2,0,0]=4 12801 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Cl 269862a_107254831445_200000763224 [0,2,0,0,0,0|2,0,0]=4 12802 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100000050827 [0,2,0,0,0,0|2,0,0]=4 12803 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)Cl 34a_107254831445_200000696569 [0,2,0,0,0,0|2,0,0]=4 12804 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)F 207a_100015204231_100000703664 [0,2,0,0,0,0|2,0,0]=4 12805 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)F 2230a_100160469513_200000696569 [0,2,0,0,0,0|2,0,0]=4 12806 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)F 269862a_100160469513_200000763224 [0,2,0,0,0,0|2,0,0]=4 12807 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)F 270004a_100015204231_100000703664 [0,2,0,0,0,0|2,0,0]=4 12808 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)F 34a_100160469513_200000696569 [0,2,0,0,0,0|2,0,0]=4 12809 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)O 207a_100015204231_100000043415 [0,2,0,0,0,0|2,0,0]=4 12810 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)O 2230a_100159270720_200000696569 [0,2,0,0,0,0|2,0,0]=4 12811 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)O 269862a_100159270720_200000763224 [0,2,0,0,0,0|2,0,0]=4 12812 B19R2.44872 Oc1cc(cc(c1)CNCC2CCCCCC2)O 34a_100159270720_200000696569 [0,2,0,0,0,0|2,0,0]=4 12813 B19R2.48353 Brc1c(cccc1CNCC2CCCCCC2)I 2230a_100015204231_100010254545 [0,2,0,0,0,0|2,0,0]=4 12814 B19R2.48353 Brc1c(cccc1CNCC2CCCCCC2)I 34a_100015204231_100010254545 [0,2,0,0,0,0|2,0,0]=4 12815 B19R2.48353 Brc1c(cccc1COCC2CCCCCC2)I 34a_100000699130_100010254545 [0,2,0,0,0,0|2,0,0]=4 12816 B19R2.48353 Brc1c(cccc1COCC2CCCCCC2)I 34a_100010240205_200000696569 [0,2,0,0,0,0|2,0,0]=4 12817 B19R2.48353 Brc1c(cccc1COCC2CCCCCC2)I 7a_100000699130_100010254545 [0,2,0,0,0,0|2,0,0]=4 12818 B19R2.48353 Brc1c(cccc1COCC2CCCCCC2)I 7a_100010240205_200000696569 [0,2,0,0,0,0|2,0,0]=4 12819 B19R2.48353 Brc1cccc(c1Br)CNCC2CCCCCC2 207a_100015204231_100010240334 [0,2,0,0,0,0|2,0,0]=4 12820 B19R2.48353 Brc1cccc(c1Br)CNCC2CCCCCC2 270004a_100015204231_100010240334 [0,2,0,0,0,0|2,0,0]=4 12821 B19R2.48353 Brc1cccc(c1I)COCC2CCCCCC2 34a_100010146604_200000696569 [0,2,0,0,0,0|2,0,0]=4 12822 B19R2.48353 Brc1cccc(c1I)COCC2CCCCCC2 7a_100010146604_200000696569 [0,2,0,0,0,0|2,0,0]=4 12823 B19R2.48353 Cc1c(cccc1CCNC2CCCCCC2)Br 270004a_100161000114_100000210131 [0,2,0,0,0,0|0,0,0]=2 12824 B19R2.48353 Cc1c(cccc1CCNC2CCCCCC2)Br 34a_100161000114_100011217769 [0,2,0,0,0,0|0,0,0]=2 12825 B19R2.48353 Cc1c(cccc1CCNC2CCCNCC2)Br 270004a_100161000114_100015187895 [0,2,0,0,0,0|1,0,0]=3 12826 B19R2.48353 Cc1c(cccc1CCNC2CSCCSC2)Br 270004a_100161000114_100000068409 [0,2,0,0,0,0|2,0,0]=4 12827 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Br 207a_100015204231_100012179384 [0,2,0,0,0,0|2,0,0]=4 12828 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Br 2230a_100015204231_100000694682 [0,2,0,0,0,0|2,0,0]=4 12829 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Br 269862a_100000724210_200000763224 [0,2,0,0,0,0|2,0,0]=4 12830 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Br 270004a_100015204231_100012179384 [0,2,0,0,0,0|2,0,0]=4 12831 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Br 34a_100000724210_200000696569 [0,2,0,0,0,0|2,0,0]=4 12832 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Br 34a_100015204231_100000694682 [0,2,0,0,0,0|2,0,0]=4 12833 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 207a_100015204231_100012002129 [0,2,0,0,0,0|2,0,0]=4 12834 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 2230a_100015204231_100012186920 [0,2,0,0,0,0|2,0,0]=4 12835 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 2230a_100020639605_200000696569 [0,2,0,0,0,0|2,0,0]=4 12836 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 269862a_100020639605_200000763224 [0,2,0,0,0,0|2,0,0]=4 12837 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 270004a_100015204231_100012002129 [0,2,0,0,0,0|2,0,0]=4 12838 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 34a_100015204231_100012186920 [0,2,0,0,0,0|2,0,0]=4 12839 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)Cl 34a_100020639605_200000696569 [0,2,0,0,0,0|2,0,0]=4 12840 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 207a_100015204231_100000037668 [0,2,0,0,0,0|2,0,0]=4 12841 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 2230a_100015204231_100009813626 [0,2,0,0,0,0|2,0,0]=4 12842 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 2230a_100132306986_200000696569 [0,2,0,0,0,0|2,0,0]=4 12843 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 269862a_100132306986_200000763224 [0,2,0,0,0,0|2,0,0]=4 12844 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 270004a_100015204231_100000037668 [0,2,0,0,0,0|2,0,0]=4 12845 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 34a_100015204231_100009813626 [0,2,0,0,0,0|2,0,0]=4 12846 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)F 34a_100132306986_200000696569 [0,2,0,0,0,0|2,0,0]=4 12847 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)I 2230a_100015204231_100010150147 [0,2,0,0,0,0|2,0,0]=4 12848 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)I 34a_100015204231_100010150147 [0,2,0,0,0,0|2,0,0]=4 12849 B19R2.48353 Cc1c(cccc1CNCC2CCCCCC2)O 270004a_100015204231_100009868165 [0,2,0,0,0,0|2,0,0]=4 12850 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Br 34a_100000694458_200000696569 [0,2,0,0,0,0|2,0,0]=4 12851 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Br 34a_100000699130_100000694682 [0,2,0,0,0,0|2,0,0]=4 12852 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Br 7a_100000694458_200000696569 [0,2,0,0,0,0|2,0,0]=4 12853 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Br 7a_100000699130_100000694682 [0,2,0,0,0,0|2,0,0]=4 12854 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Cl 34a_100000699130_100012186920 [0,2,0,0,0,0|2,0,0]=4 12855 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Cl 34a_100012000165_200000696569 [0,2,0,0,0,0|2,0,0]=4 12856 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Cl 7a_100000699130_100012186920 [0,2,0,0,0,0|2,0,0]=4 12857 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)Cl 7a_100012000165_200000696569 [0,2,0,0,0,0|2,0,0]=4 12858 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)F 34a_100000042775_200000696569 [0,2,0,0,0,0|2,0,0]=4 12859 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)F 34a_100000699130_100009813626 [0,2,0,0,0,0|2,0,0]=4 12860 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)F 7a_100000042775_200000696569 [0,2,0,0,0,0|2,0,0]=4 12861 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)F 7a_100000699130_100009813626 [0,2,0,0,0,0|2,0,0]=4 12862 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)I 34a_100000699130_100010150147 [0,2,0,0,0,0|2,0,0]=4 12863 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)I 34a_100010150139_200000696569 [0,2,0,0,0,0|2,0,0]=4 12864 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)I 7a_100000699130_100010150147 [0,2,0,0,0,0|2,0,0]=4 12865 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)I 7a_100010150139_200000696569 [0,2,0,0,0,0|2,0,0]=4 12866 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)N 34a_102495339961_200000696569 [0,2,0,0,0,0|2,0,0]=4 12867 B19R2.48353 Cc1c(cccc1COCC2CCCCCC2)N 7a_102495339961_200000696569 [0,2,0,0,0,0|2,0,0]=4 12868 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)Br 62a_100000694682_200000696569 [0,2,0,0,0,0|2,0,0]=4 12869 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)Br 62a_200000696569_100000694682 [0,2,0,0,0,0|2,0,0]=4 12870 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)Cl 62a_100012186920_200000696569 [0,2,0,0,0,0|2,0,0]=4 12871 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)Cl 62a_200000696569_100012186920 [0,2,0,0,0,0|2,0,0]=4 12872 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)F 62a_100009813626_200000696569 [0,2,0,0,0,0|2,0,0]=4 12873 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)F 62a_200000696569_100009813626 [0,2,0,0,0,0|2,0,0]=4 12874 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)I 62a_100010150147_200000696569 [0,2,0,0,0,0|2,0,0]=4 12875 B19R2.48353 Cc1c(cccc1CSCC2CCCCCC2)I 62a_200000696569_100010150147 [0,2,0,0,0,0|2,0,0]=4 12876 B19R2.48353 Cc1cccc(c1Br)CNCC2CCCCCC2 207a_100015204231_100012186367 [0,2,0,0,0,0|2,0,0]=4 12877 B19R2.48353 Cc1cccc(c1Br)CNCC2CCCCCC2 2230a_100015204231_200012349612 [0,2,0,0,0,0|2,0,0]=4 12878 B19R2.48353 Cc1cccc(c1Br)CNCC2CCCCCC2 270004a_100015204231_100012186367 [0,2,0,0,0,0|2,0,0]=4 12879 B19R2.48353 Cc1cccc(c1Br)CNCC2CCCCCC2 34a_100015204231_200012349612 [0,2,0,0,0,0|2,0,0]=4 12880 B19R2.48353 Cc1cccc(c1Br)COCC2CCCCCC2 34a_100000699130_200012349612 [0,2,0,0,0,0|2,0,0]=4 12881 B19R2.48353 Cc1cccc(c1Br)COCC2CCCCCC2 34a_100011659289_200000696569 [0,2,0,0,0,0|2,0,0]=4 12882 B19R2.48353 Cc1cccc(c1Br)COCC2CCCCCC2 7a_100000699130_200012349612 [0,2,0,0,0,0|2,0,0]=4 12883 B19R2.48353 Cc1cccc(c1Br)COCC2CCCCCC2 7a_100011659289_200000696569 [0,2,0,0,0,0|2,0,0]=4 12884 B19R2.48353 Cc1cccc(c1Br)CSCC2CCCCCC2 62a_200000696569_200012349612 [0,2,0,0,0,0|2,0,0]=4 12885 B19R2.48353 Cc1cccc(c1Br)CSCC2CCCCCC2 62a_200012349612_200000696569 [0,2,0,0,0,0|2,0,0]=4 12886 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 207a_100015204231_100000229941 [0,2,0,0,0,0|2,0,0]=4 12887 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 2230a_100011211637_200000696569 [0,2,0,0,0,0|2,0,0]=4 12888 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 2230a_100015204231_100011515928 [0,2,0,0,0,0|2,0,0]=4 12889 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 269862a_100011211637_200000763224 [0,2,0,0,0,0|2,0,0]=4 12890 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 270004a_100015204231_100000229941 [0,2,0,0,0,0|2,0,0]=4 12891 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 34a_100011211637_200000696569 [0,2,0,0,0,0|2,0,0]=4 12892 B19R2.48353 Cc1cccc(c1C)CNCC2CCCCCC2 34a_100015204231_100011273979 [0,2,0,0,0,0|2,0,0]=4 12893 B19R2.48353 Cc1cccc(c1C)COCC2CCCCCC2 34a_100000699130_100011273979 [0,2,0,0,0,0|2,0,0]=4 12894 B19R2.48353 Cc1cccc(c1C)COCC2CCCCCC2 34a_100011219135_200000696569 [0,2,0,0,0,0|2,0,0]=4 12895 B19R2.48353 Cc1cccc(c1C)COCC2CCCCCC2 7a_100000699130_100011515928 [0,2,0,0,0,0|2,0,0]=4 12896 B19R2.48353 Cc1cccc(c1C)COCC2CCCCCC2 7a_100011219135_200000696569 [0,2,0,0,0,0|2,0,0]=4 12897 B19R2.48353 Cc1cccc(c1C)CSCC2CCCCCC2 62a_100011515928_200000696569 [0,2,0,0,0,0|2,0,0]=4 12898 B19R2.48353 Cc1cccc(c1C)CSCC2CCCCCC2 62a_200000696569_100011515928 [0,2,0,0,0,0|2,0,0]=4 12899 B19R2.48353 Cc1cccc(c1Cl)CNCC2CCCCCC2 207a_100015204231_100012017286 [0,2,0,0,0,0|2,0,0]=4 12900 B19R2.48353 Cc1cccc(c1Cl)CNCC2CCCCCC2 2230a_100025705714_200000696569 [0,2,0,0,0,0|2,0,0]=4 12901 B19R2.48353 Cc1cccc(c1Cl)CNCC2CCCCCC2 269862a_100025705714_200000763224 [0,2,0,0,0,0|2,0,0]=4 12902 B19R2.48353 Cc1cccc(c1Cl)CNCC2CCCCCC2 270004a_100015204231_100012017286 [0,2,0,0,0,0|2,0,0]=4 12903 B19R2.48353 Cc1cccc(c1Cl)CNCC2CCCCCC2 34a_100025705714_200000696569 [0,2,0,0,0,0|2,0,0]=4 12904 B19R2.48353 Cc1cccc(c1Cl)COCC2CCCCCC2 34a_100000710031_200000696569 [0,2,0,0,0,0|2,0,0]=4 12905 B19R2.48353 Cc1cccc(c1Cl)COCC2CCCCCC2 7a_100000710031_200000696569 [0,2,0,0,0,0|2,0,0]=4 12906 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 207a_100015204231_100011219516 [0,2,0,0,0,0|2,0,0]=4 12907 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 2230a_100012002060_200000696569 [0,2,0,0,0,0|2,0,0]=4 12908 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 2230a_100015204231_100011216058 [0,2,0,0,0,0|2,0,0]=4 12909 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 269862a_100012002060_200000763224 [0,2,0,0,0,0|2,0,0]=4 12910 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 270004a_100015204231_100011219516 [0,2,0,0,0,0|2,0,0]=4 12911 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 34a_100012002060_200000696569 [0,2,0,0,0,0|2,0,0]=4 12912 B19R2.48353 Cc1cccc(c1F)CNCC2CCCCCC2 34a_100015204231_100011216058 [0,2,0,0,0,0|2,0,0]=4 12913 B19R2.48353 Cc1cccc(c1F)COCC2CCCCCC2 34a_100000699130_100011216058 [0,2,0,0,0,0|2,0,0]=4 12914 B19R2.48353 Cc1cccc(c1F)COCC2CCCCCC2 34a_200011219517_200000696569 [0,2,0,0,0,0|2,0,0]=4 12915 B19R2.48353 Cc1cccc(c1F)COCC2CCCCCC2 7a_100000699130_100011216058 [0,2,0,0,0,0|2,0,0]=4 12916 B19R2.48353 Cc1cccc(c1F)COCC2CCCCCC2 7a_200011219517_200000696569 [0,2,0,0,0,0|2,0,0]=4 12917 B19R2.48353 Cc1cccc(c1F)CSCC2CCCCCC2 62a_100011216058_200000696569 [0,2,0,0,0,0|2,0,0]=4 12918 B19R2.48353 Cc1cccc(c1F)CSCC2CCCCCC2 62a_200000696569_100011216058 [0,2,0,0,0,0|2,0,0]=4 12919 B19R2.48353 Cc1cccc(c1I)COCC2CCCCCC2 34a_100012349780_200000696569 [0,2,0,0,0,0|2,0,0]=4 12920 B19R2.48353 Cc1cccc(c1I)COCC2CCCCCC2 7a_100012349780_200000696569 [0,2,0,0,0,0|2,0,0]=4 12921 B19R2.48353 Cc1cccc(c1N)COCC2CCCCCC2 34a_100011215590_200000696569 [0,2,0,0,0,0|2,0,0]=4 12922 B19R2.48353 Cc1cccc(c1O)CNCC2CCCCCC2 269862a_100020639391_200000763224 [0,2,0,0,0,0|2,0,0]=4 12923 B19R2.48353 Cc1cccc(c1O)CNCC2CCCCCC2 34a_100020639391_200000696569 [0,2,0,0,0,0|2,0,0]=4 12924 B19R2.48353 Clc1c(cccc1CNCC2CCCCCC2)Br 207a_100015204231_100012362481 [0,2,0,0,0,0|2,0,0]=4 12925 B19R2.48353 Clc1c(cccc1CNCC2CCCCCC2)Br 2230a_100015204231_100012349491 [0,2,0,0,0,0|2,0,0]=4 12926 B19R2.48353 Clc1c(cccc1CNCC2CCCCCC2)Br 270004a_100015204231_100012362481 [0,2,0,0,0,0|2,0,0]=4 12927 B19R2.48353 Clc1c(cccc1CNCC2CCCCCC2)Br 34a_100015204231_100012349491 [0,2,0,0,0,0|2,0,0]=4 12928 B19R2.48353 Clc1c(cccc1COCC2CCCCCC2)Br 34a_100000699130_100012349491 [0,2,0,0,0,0|2,0,0]=4 12929 B19R2.48353 Clc1c(cccc1COCC2CCCCCC2)Br 34a_100012351182_200000696569 [0,2,0,0,0,0|2,0,0]=4 12930 B19R2.48353 Clc1c(cccc1COCC2CCCCCC2)Br 7a_100000699130_100012349491 [0,2,0,0,0,0|2,0,0]=4 12931 B19R2.48353 Clc1c(cccc1COCC2CCCCCC2)Br 7a_100012351182_200000696569 [0,2,0,0,0,0|2,0,0]=4 12932 B19R2.48353 Clc1cccc(c1Br)CNCC2CCCCCC2 207a_100015204231_100010232083 [0,2,0,0,0,0|2,0,0]=4 12933 B19R2.48353 Clc1cccc(c1Br)CNCC2CCCCCC2 2230a_100015204231_100010145525 [0,2,0,0,0,0|2,0,0]=4 12934 B19R2.48353 Clc1cccc(c1Br)CNCC2CCCCCC2 270004a_100015204231_100010232083 [0,2,0,0,0,0|2,0,0]=4 12935 B19R2.48353 Clc1cccc(c1Br)CNCC2CCCCCC2 34a_100015204231_100010145525 [0,2,0,0,0,0|2,0,0]=4 12936 B19R2.48353 Clc1cccc(c1Br)COCC2CCCCCC2 34a_100000699130_100010145525 [0,2,0,0,0,0|2,0,0]=4 12937 B19R2.48353 Clc1cccc(c1Br)COCC2CCCCCC2 34a_100010168166_200000696569 [0,2,0,0,0,0|2,0,0]=4 12938 B19R2.48353 Clc1cccc(c1Br)COCC2CCCCCC2 7a_100000699130_100010145525 [0,2,0,0,0,0|2,0,0]=4 12939 B19R2.48353 Clc1cccc(c1Br)COCC2CCCCCC2 7a_100010168166_200000696569 [0,2,0,0,0,0|2,0,0]=4 12940 B19R2.48353 Clc1cccc(c1Cl)CCNC2CCCCCC2 2230a_100000210984_100000723033 [0,2,0,0,0,0|0,0,0]=2 12941 B19R2.48353 Clc1cccc(c1Cl)CCNC2CCCCCC2 270004a_100000741019_100000210131 [0,2,0,0,0,0|0,0,0]=2 12942 B19R2.48353 Clc1cccc(c1Cl)CCNC2CCCCCC2 34a_100000210984_100000723033 [0,2,0,0,0,0|0,0,0]=2 12943 B19R2.48353 Clc1cccc(c1Cl)CCNC2CCCCCC2 34a_100000741019_100011217769 [0,2,0,0,0,0|0,0,0]=2 12944 B19R2.48353 Clc1cccc(c1Cl)CCNC2CCCNCC2 270004a_100000741019_100015187895 [0,2,0,0,0,0|1,0,0]=3 12945 B19R2.48353 Clc1cccc(c1Cl)CCNC2CSCCSC2 270004a_100000741019_100000068409 [0,2,0,0,0,0|2,0,0]=4 12946 B19R2.48353 Clc1cccc(c1Cl)CCOC2CCCCCC2 34a_100000210887_100000723033 [0,2,0,0,0,0|1,0,0]=3 12947 B19R2.48353 Clc1cccc(c1Cl)CCOC2CCCCCC2 34a_100011754357_100011217769 [0,2,0,0,0,0|1,0,0]=3 12948 B19R2.48353 Clc1cccc(c1Cl)CCOC2CCCCCC2 7a_100000210887_100000723033 [0,2,0,0,0,0|1,0,0]=3 12949 B19R2.48353 Clc1cccc(c1Cl)CCSC2CCCCCC2 62a_100000723033_100011217769 [0,2,0,0,0,0|1,0,0]=3 12950 B19R2.48353 Clc1cccc(c1Cl)CCSC2CCCCCC2 62a_100011217769_100000723033 [0,2,0,0,0,0|1,0,0]=3 12951 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 207a_100015204231_100000210504 [0,2,0,0,0,0|2,0,0]=4 12952 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 2230a_100011211633_200000696569 [0,2,0,0,0,0|2,0,0]=4 12953 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 2230a_100015204231_100000723366 [0,2,0,0,0,0|2,0,0]=4 12954 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 269862a_100011211633_200000763224 [0,2,0,0,0,0|2,0,0]=4 12955 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 270004a_100015204231_100000210504 [0,2,0,0,0,0|2,0,0]=4 12956 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 34a_100011211633_200000696569 [0,2,0,0,0,0|2,0,0]=4 12957 B19R2.48353 Clc1cccc(c1Cl)CNCC2CCCCCC2 34a_100015204231_100000723366 [0,2,0,0,0,0|2,0,0]=4 12958 B19R2.48353 Clc1cccc(c1Cl)COCC2CCCCCC2 34a_100000699130_100000723366 [0,2,0,0,0,0|2,0,0]=4 12959 B19R2.48353 Clc1cccc(c1Cl)COCC2CCCCCC2 34a_100000720469_200000696569 [0,2,0,0,0,0|2,0,0]=4 12960 B19R2.48353 Clc1cccc(c1Cl)COCC2CCCCCC2 7a_100000699130_100000723366 [0,2,0,0,0,0|2,0,0]=4 12961 B19R2.48353 Clc1cccc(c1Cl)COCC2CCCCCC2 7a_100000720469_200000696569 [0,2,0,0,0,0|2,0,0]=4 12962 B19R2.48353 Fc1c(cccc1CCOC2CCCCCC2)Cl 34a_100011830271_100011217769 [0,2,0,0,0,0|1,0,0]=3 12963 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 207a_100015204231_100011361543 [0,2,0,0,0,0|2,0,0]=4 12964 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 2230a_100015189953_200000696569 [0,2,0,0,0,0|2,0,0]=4 12965 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 2230a_100015204231_100012356506 [0,2,0,0,0,0|2,0,0]=4 12966 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 269862a_100015189953_200000763224 [0,2,0,0,0,0|2,0,0]=4 12967 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 270004a_100015204231_100011361543 [0,2,0,0,0,0|2,0,0]=4 12968 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 34a_100015189953_200000696569 [0,2,0,0,0,0|2,0,0]=4 12969 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Br 34a_100015204231_100012356506 [0,2,0,0,0,0|2,0,0]=4 12970 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 207a_100015204231_100000766533 [0,2,0,0,0,0|2,0,0]=4 12971 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 2230a_100000764326_200000696569 [0,2,0,0,0,0|2,0,0]=4 12972 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 2230a_100015204231_100000716733 [0,2,0,0,0,0|2,0,0]=4 12973 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 269862a_100000764326_200000763224 [0,2,0,0,0,0|2,0,0]=4 12974 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 270004a_100015204231_100000766533 [0,2,0,0,0,0|2,0,0]=4 12975 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 34a_100000764326_200000696569 [0,2,0,0,0,0|2,0,0]=4 12976 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)Cl 34a_100015204231_100000716733 [0,2,0,0,0,0|2,0,0]=4 12977 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)I 207a_100015204231_100010202174 [0,2,0,0,0,0|2,0,0]=4 12978 B19R2.48353 Fc1c(cccc1CNCC2CCCCCC2)I 270004a_100015204231_100010202174 [0,2,0,0,0,0|2,0,0]=4 12979 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Br 34a_100000699130_100012356506 [0,2,0,0,0,0|2,0,0]=4 12980 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Br 34a_100011935076_200000696569 [0,2,0,0,0,0|2,0,0]=4 12981 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Br 7a_100000699130_100012356506 [0,2,0,0,0,0|2,0,0]=4 12982 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Br 7a_100011935076_200000696569 [0,2,0,0,0,0|2,0,0]=4 12983 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Cl 34a_100000699130_100000716733 [0,2,0,0,0,0|2,0,0]=4 12984 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Cl 34a_100011216988_200000696569 [0,2,0,0,0,0|2,0,0]=4 12985 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Cl 7a_100000699130_100000716733 [0,2,0,0,0,0|2,0,0]=4 12986 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)Cl 7a_100011216988_200000696569 [0,2,0,0,0,0|2,0,0]=4 12987 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)I 34a_200010235739_200000696569 [0,2,0,0,0,0|2,0,0]=4 12988 B19R2.48353 Fc1c(cccc1COCC2CCCCCC2)I 7a_200010235739_200000696569 [0,2,0,0,0,0|2,0,0]=4 12989 B19R2.48353 Fc1c(cccc1CSCC2CCCCCC2)Br 62a_100012356506_200000696569 [0,2,0,0,0,0|2,0,0]=4 12990 B19R2.48353 Fc1c(cccc1CSCC2CCCCCC2)Br 62a_200000696569_100012356506 [0,2,0,0,0,0|2,0,0]=4 12991 B19R2.48353 Fc1c(cccc1CSCC2CCCCCC2)Cl 62a_100000716733_200000696569 [0,2,0,0,0,0|2,0,0]=4 12992 B19R2.48353 Fc1c(cccc1CSCC2CCCCCC2)Cl 62a_200000696569_100000716733 [0,2,0,0,0,0|2,0,0]=4 12993 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 207a_100015204231_100011934749 [0,2,0,0,0,0|2,0,0]=4 12994 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 2230a_100015204231_100012351116 [0,2,0,0,0,0|2,0,0]=4 12995 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 2230a_100020638964_200000696569 [0,2,0,0,0,0|2,0,0]=4 12996 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 269862a_100020638964_200000763224 [0,2,0,0,0,0|2,0,0]=4 12997 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 270004a_100015204231_100011934749 [0,2,0,0,0,0|2,0,0]=4 12998 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 34a_100015204231_100012351116 [0,2,0,0,0,0|2,0,0]=4 12999 B19R2.48353 Fc1cccc(c1Br)CNCC2CCCCCC2 34a_100020638964_200000696569 [0,2,0,0,0,0|2,0,0]=4 13000 B19R2.48353 Fc1cccc(c1Br)COCC2CCCCCC2 34a_100000699130_100012351116 [0,2,0,0,0,0|2,0,0]=4 13001 B19R2.48353 Fc1cccc(c1Br)COCC2CCCCCC2 34a_100012351117_200000696569 [0,2,0,0,0,0|2,0,0]=4 13002 B19R2.48353 Fc1cccc(c1Br)COCC2CCCCCC2 7a_100000699130_100012351116 [0,2,0,0,0,0|2,0,0]=4 13003 B19R2.48353 Fc1cccc(c1Br)COCC2CCCCCC2 7a_100012351117_200000696569 [0,2,0,0,0,0|2,0,0]=4 13004 B19R2.48353 Fc1cccc(c1Br)CSCC2CCCCCC2 62a_100012351116_200000696569 [0,2,0,0,0,0|2,0,0]=4 13005 B19R2.48353 Fc1cccc(c1Br)CSCC2CCCCCC2 62a_200000696569_100012351116 [0,2,0,0,0,0|2,0,0]=4 13006 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 207a_100015204231_100011998484 [0,2,0,0,0,0|2,0,0]=4 13007 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 2230a_100012001614_200000696569 [0,2,0,0,0,0|2,0,0]=4 13008 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 2230a_100015204231_100000696688 [0,2,0,0,0,0|2,0,0]=4 13009 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 269862a_100012001614_200000763224 [0,2,0,0,0,0|2,0,0]=4 13010 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 270004a_100015204231_100011998484 [0,2,0,0,0,0|2,0,0]=4 13011 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 34a_100012001614_200000696569 [0,2,0,0,0,0|2,0,0]=4 13012 B19R2.48353 Fc1cccc(c1Cl)CNCC2CCCCCC2 34a_100015204231_100000696688 [0,2,0,0,0,0|2,0,0]=4 13013 B19R2.48353 Fc1cccc(c1Cl)COCC2CCCCCC2 34a_100000696319_200000696569 [0,2,0,0,0,0|2,0,0]=4 13014 B19R2.48353 Fc1cccc(c1Cl)COCC2CCCCCC2 34a_100000699130_100000696688 [0,2,0,0,0,0|2,0,0]=4 13015 B19R2.48353 Fc1cccc(c1Cl)COCC2CCCCCC2 7a_100000696319_200000696569 [0,2,0,0,0,0|2,0,0]=4 13016 B19R2.48353 Fc1cccc(c1Cl)COCC2CCCCCC2 7a_100000699130_100000696688 [0,2,0,0,0,0|2,0,0]=4 13017 B19R2.48353 Fc1cccc(c1Cl)CSCC2CCCCCC2 62a_100000696688_200000696569 [0,2,0,0,0,0|2,0,0]=4 13018 B19R2.48353 Fc1cccc(c1Cl)CSCC2CCCCCC2 62a_200000696569_100000696688 [0,2,0,0,0,0|2,0,0]=4 13019 B19R2.48353 Fc1cccc(c1F)CCOC2CCCCCC2 34a_100000698707_100011217769 [0,2,0,0,0,0|1,0,0]=3 13020 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 207a_100015204231_100000753312 [0,2,0,0,0,0|2,0,0]=4 13021 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 2230a_100011199105_200000696569 [0,2,0,0,0,0|2,0,0]=4 13022 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 2230a_100015204231_100000217499 [0,2,0,0,0,0|2,0,0]=4 13023 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 269862a_100011199105_200000763224 [0,2,0,0,0,0|2,0,0]=4 13024 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 270004a_100015204231_100000753312 [0,2,0,0,0,0|2,0,0]=4 13025 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 34a_100011199105_200000696569 [0,2,0,0,0,0|2,0,0]=4 13026 B19R2.48353 Fc1cccc(c1F)CNCC2CCCCCC2 34a_100015204231_100000217499 [0,2,0,0,0,0|2,0,0]=4 13027 B19R2.48353 Fc1cccc(c1F)COCC2CCCCCC2 34a_100000699130_100000217499 [0,2,0,0,0,0|2,0,0]=4 13028 B19R2.48353 Fc1cccc(c1F)COCC2CCCCCC2 34a_100011218644_200000696569 [0,2,0,0,0,0|2,0,0]=4 13029 B19R2.48353 Fc1cccc(c1F)COCC2CCCCCC2 7a_100000699130_100000217499 [0,2,0,0,0,0|2,0,0]=4 13030 B19R2.48353 Fc1cccc(c1F)COCC2CCCCCC2 7a_100011218644_200000696569 [0,2,0,0,0,0|2,0,0]=4 13031 B19R2.48353 Fc1cccc(c1F)CSCC2CCCCCC2 62a_100000217499_200000696569 [0,2,0,0,0,0|2,0,0]=4 13032 B19R2.48353 Fc1cccc(c1F)CSCC2CCCCCC2 62a_200000696569_100000217499 [0,2,0,0,0,0|2,0,0]=4 13033 B19R2.48353 Fc1cccc(c1I)CNCC2CCCCCC2 207a_100015204231_100010186293 [0,2,0,0,0,0|2,0,0]=4 13034 B19R2.48353 Fc1cccc(c1I)CNCC2CCCCCC2 2230a_100015204231_100010149603 [0,2,0,0,0,0|2,0,0]=4 13035 B19R2.48353 Fc1cccc(c1I)CNCC2CCCCCC2 270004a_100015204231_100010186293 [0,2,0,0,0,0|2,0,0]=4 13036 B19R2.48353 Fc1cccc(c1I)CNCC2CCCCCC2 34a_100015204231_100010149603 [0,2,0,0,0,0|2,0,0]=4 13037 B19R2.48353 Fc1cccc(c1I)COCC2CCCCCC2 34a_100000692438_200000696569 [0,2,0,0,0,0|2,0,0]=4 13038 B19R2.48353 Fc1cccc(c1I)COCC2CCCCCC2 34a_100000699130_100010149603 [0,2,0,0,0,0|2,0,0]=4 13039 B19R2.48353 Fc1cccc(c1I)COCC2CCCCCC2 7a_100000692438_200000696569 [0,2,0,0,0,0|2,0,0]=4 13040 B19R2.48353 Fc1cccc(c1I)COCC2CCCCCC2 7a_100000699130_100010149603 [0,2,0,0,0,0|2,0,0]=4 13041 B19R2.48353 Fc1cccc(c1I)CSCC2CCCCCC2 62a_100010149603_200000696569 [0,2,0,0,0,0|2,0,0]=4 13042 B19R2.48353 Fc1cccc(c1I)CSCC2CCCCCC2 62a_200000696569_100010149603 [0,2,0,0,0,0|2,0,0]=4 13043 B19R2.48353 Nc1c(cccc1COCC2CCCCCC2)Br 34a_100012349457_200000696569 [0,2,0,0,0,0|2,0,0]=4 13044 B19R2.48353 Nc1c(cccc1COCC2CCCCCC2)Cl 34a_100012182729_200000696569 [0,2,0,0,0,0|2,0,0]=4 13045 B19R2.48353 Nc1c(cccc1COCC2CCCCCC2)F 34a_100000692437_200000696569 [0,2,0,0,0,0|2,0,0]=4 13046 B19R2.48353 Nc1cccc(c1F)COCC2CCCCCC2 34a_100012023829_200000696569 [0,2,0,0,0,0|2,0,0]=4 13047 B19R2.48353 Oc1cccc(c1Cl)CNCC2CCCCCC2 270004a_100015204231_100000050521 [0,2,0,0,0,0|2,0,0]=4 13048 B19R2.48353 Oc1cccc(c1F)CNCC2CCCCCC2 269862a_100025773512_200000763224 [0,2,0,0,0,0|2,0,0]=4 13049 B19R2.48353 Oc1cccc(c1F)CNCC2CCCCCC2 34a_100025773512_200000696569 [0,2,0,0,0,0|2,0,0]=4 13050 B19R2.48743 OC1CCCCN(C1)CCCc2cccc(c2)Br 2230a_100025706797_100011713683 [0,2,0,0,0,0|2,0,0]=4 13051 B19R2.48743 OC1CCCCN(C1)CCCc2cccc(c2)Br 269982a_100025706797_100011713683 [0,2,0,0,0,0|2,0,0]=4 13052 B19R2.48743 OC1CCCCN(C1)CCCc2cccc(c2)F 2230a_100025706797_200000698031 [0,2,0,0,0,0|2,0,0]=4 13053 B19R2.48743 OC1CCCCN(C1)CCCc2cccc(c2)F 269982a_100025706797_200000698031 [0,2,0,0,0,0|2,0,0]=4 13054 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)Br 207a_100015204231_100011266429 [0,2,0,0,0,0|2,0,0]=4 13055 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)Br 2230a_100015204231_100011982794 [0,2,0,0,0,0|2,0,0]=4 13056 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)Br 269862a_100000707832_200000763224 [0,2,0,0,0,0|2,0,0]=4 13057 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100011266429 [0,2,0,0,0,0|2,0,0]=4 13058 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)Br 34a_100000707832_200000696569 [0,2,0,0,0,0|2,0,0]=4 13059 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)Br 34a_100015204231_100011982794 [0,2,0,0,0,0|2,0,0]=4 13060 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)I 207a_100015204231_100010185651 [0,2,0,0,0,0|2,0,0]=4 13061 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)I 2230a_100015204231_100012362523 [0,2,0,0,0,0|2,0,0]=4 13062 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)I 270004a_100015204231_100010185651 [0,2,0,0,0,0|2,0,0]=4 13063 B19R2.51051 Brc1ccc(c(c1)CNCC2CCCCCC2)I 34a_100015204231_100012362523 [0,2,0,0,0,0|2,0,0]=4 13064 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100000699130_100011982794 [0,2,0,0,0,0|2,0,0]=4 13065 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100011266457_200000696569 [0,2,0,0,0,0|2,0,0]=4 13066 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100000699130_100011982794 [0,2,0,0,0,0|2,0,0]=4 13067 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100011266457_200000696569 [0,2,0,0,0,0|2,0,0]=4 13068 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)I 34a_100000699130_100012362523 [0,2,0,0,0,0|2,0,0]=4 13069 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)I 34a_100011356890_200000696569 [0,2,0,0,0,0|2,0,0]=4 13070 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)I 7a_100000699130_100012362523 [0,2,0,0,0,0|2,0,0]=4 13071 B19R2.51051 Brc1ccc(c(c1)COCC2CCCCCC2)I 7a_100011356890_200000696569 [0,2,0,0,0,0|2,0,0]=4 13072 B19R2.51051 Brc1ccc(cc1CNCC2CCCCCC2)I 207a_100015204231_100010185652 [0,2,0,0,0,0|2,0,0]=4 13073 B19R2.51051 Brc1ccc(cc1CNCC2CCCCCC2)I 2230a_100015204231_100012355412 [0,2,0,0,0,0|2,0,0]=4 13074 B19R2.51051 Brc1ccc(cc1CNCC2CCCCCC2)I 34a_100015204231_100012355412 [0,2,0,0,0,0|2,0,0]=4 13075 B19R2.51051 Brc1ccc(cc1COCC2CCCCCC2)I 34a_100000699130_100012355412 [0,2,0,0,0,0|2,0,0]=4 13076 B19R2.51051 Brc1ccc(cc1COCC2CCCCCC2)I 7a_100000699130_100012355412 [0,2,0,0,0,0|2,0,0]=4 13077 B19R2.51051 Brc1ccc(cc1COCC2CCCCCC2)I 7a_100012359683_200000696569 [0,2,0,0,0,0|2,0,0]=4 13078 B19R2.51051 Cc1ccc(c(c1)CCNC2CCCCCC2)C 270004a_200011485678_100000210131 [0,2,0,0,0,0|0,0,0]=2 13079 B19R2.51051 Cc1ccc(c(c1)CCNC2CCCCCC2)C 34a_200011485678_100011217769 [0,2,0,0,0,0|0,0,0]=2 13080 B19R2.51051 Cc1ccc(c(c1)CCNC2CCCNCC2)C 270004a_200011485678_100015187895 [0,2,0,0,0,0|1,0,0]=3 13081 B19R2.51051 Cc1ccc(c(c1)CCNC2CSCCSC2)C 270004a_200011485678_100000068409 [0,2,0,0,0,0|2,0,0]=4 13082 B19R2.51051 Cc1ccc(c(c1)CCOC2CCCCCC2)C 34a_100011694955_100011217769 [0,2,0,0,0,0|1,0,0]=3 13083 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Br 207a_100015204231_100011551863 [0,2,0,0,0,0|2,0,0]=4 13084 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100011551863 [0,2,0,0,0,0|2,0,0]=4 13085 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)C 207a_100015204231_100000211343 [0,2,0,0,0,0|2,0,0]=4 13086 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)C 2230a_100015204231_100000184699 [0,2,0,0,0,0|2,0,0]=4 13087 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)C 269862a_100000174964_200000763224 [0,2,0,0,0,0|2,0,0]=4 13088 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)C 270004a_100015204231_100000211343 [0,2,0,0,0,0|2,0,0]=4 13089 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)C 34a_100000174964_200000696569 [0,2,0,0,0,0|2,0,0]=4 13090 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)C 34a_100015204231_100000184699 [0,2,0,0,0,0|2,0,0]=4 13091 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100011551332 [0,2,0,0,0,0|2,0,0]=4 13092 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 2230a_100015204231_100009871730 [0,2,0,0,0,0|2,0,0]=4 13093 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 2230a_100025705715_200000696569 [0,2,0,0,0,0|2,0,0]=4 13094 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 269862a_100025705715_200000763224 [0,2,0,0,0,0|2,0,0]=4 13095 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100011551332 [0,2,0,0,0,0|2,0,0]=4 13096 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 34a_100015204231_100009871730 [0,2,0,0,0,0|2,0,0]=4 13097 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)Cl 34a_100025705715_200000696569 [0,2,0,0,0,0|2,0,0]=4 13098 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)F 207a_100015204231_100000756917 [0,2,0,0,0,0|2,0,0]=4 13099 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)F 2230a_100015204231_100011260760 [0,2,0,0,0,0|2,0,0]=4 13100 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)F 269862a_100102693586_200000763224 [0,2,0,0,0,0|2,0,0]=4 13101 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)F 270004a_100015204231_100000756917 [0,2,0,0,0,0|2,0,0]=4 13102 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)F 34a_100015204231_100011260760 [0,2,0,0,0,0|2,0,0]=4 13103 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)F 34a_100102693586_200000696569 [0,2,0,0,0,0|2,0,0]=4 13104 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)I 207a_100015204231_100010150105 [0,2,0,0,0,0|2,0,0]=4 13105 B19R2.51051 Cc1ccc(c(c1)CNCC2CCCCCC2)I 270004a_100015204231_100010150105 [0,2,0,0,0,0|2,0,0]=4 13106 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100012361352_200000696569 [0,2,0,0,0,0|2,0,0]=4 13107 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100012361352_200000696569 [0,2,0,0,0,0|2,0,0]=4 13108 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)C 34a_100000699130_100000184699 [0,2,0,0,0,0|2,0,0]=4 13109 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)C 34a_200011215349_200000696569 [0,2,0,0,0,0|2,0,0]=4 13110 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)C 7a_100000699130_100000184699 [0,2,0,0,0,0|2,0,0]=4 13111 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)C 7a_200011215349_200000696569 [0,2,0,0,0,0|2,0,0]=4 13112 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100000699130_100009871730 [0,2,0,0,0,0|2,0,0]=4 13113 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100009878994_200000696569 [0,2,0,0,0,0|2,0,0]=4 13114 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)Cl 7a_100000699130_100009871730 [0,2,0,0,0,0|2,0,0]=4 13115 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)Cl 7a_100009878994_200000696569 [0,2,0,0,0,0|2,0,0]=4 13116 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)F 34a_100000699130_100011260760 [0,2,0,0,0,0|2,0,0]=4 13117 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)F 34a_100011692775_200000696569 [0,2,0,0,0,0|2,0,0]=4 13118 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)F 7a_100000699130_100011260760 [0,2,0,0,0,0|2,0,0]=4 13119 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)F 7a_100011692775_200000696569 [0,2,0,0,0,0|2,0,0]=4 13120 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)N 34a_100011215565_200000696569 [0,2,0,0,0,0|2,0,0]=4 13121 B19R2.51051 Cc1ccc(c(c1)COCC2CCCCCC2)N 7a_100011215565_200000696569 [0,2,0,0,0,0|2,0,0]=4 13122 B19R2.51051 Cc1ccc(c(c1)CSCC2CCCCCC2)C 62a_100000184699_200000696569 [0,2,0,0,0,0|2,0,0]=4 13123 B19R2.51051 Cc1ccc(c(c1)CSCC2CCCCCC2)C 62a_200000696569_100000184699 [0,2,0,0,0,0|2,0,0]=4 13124 B19R2.51051 Cc1ccc(c(c1)CSCC2CCCCCC2)Cl 62a_100009871730_200000696569 [0,2,0,0,0,0|2,0,0]=4 13125 B19R2.51051 Cc1ccc(c(c1)CSCC2CCCCCC2)Cl 62a_200000696569_100009871730 [0,2,0,0,0,0|2,0,0]=4 13126 B19R2.51051 Cc1ccc(c(c1)CSCC2CCCCCC2)F 62a_100011260760_200000696569 [0,2,0,0,0,0|2,0,0]=4 13127 B19R2.51051 Cc1ccc(c(c1)CSCC2CCCCCC2)F 62a_200000696569_100011260760 [0,2,0,0,0,0|2,0,0]=4 13128 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Br 207a_100015204231_100011361606 [0,2,0,0,0,0|2,0,0]=4 13129 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Br 270004a_100015204231_100011361606 [0,2,0,0,0,0|2,0,0]=4 13130 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Cl 207a_100015204231_100011551331 [0,2,0,0,0,0|2,0,0]=4 13131 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Cl 2230a_100015204231_100012186985 [0,2,0,0,0,0|2,0,0]=4 13132 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Cl 269862a_100000717755_200000763224 [0,2,0,0,0,0|2,0,0]=4 13133 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Cl 270004a_100015204231_100011551331 [0,2,0,0,0,0|2,0,0]=4 13134 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Cl 34a_100000717755_200000696569 [0,2,0,0,0,0|2,0,0]=4 13135 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)Cl 34a_100015204231_100012186985 [0,2,0,0,0,0|2,0,0]=4 13136 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)F 207a_100015204231_100000697687 [0,2,0,0,0,0|2,0,0]=4 13137 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)F 2230a_100015204231_100000709795 [0,2,0,0,0,0|2,0,0]=4 13138 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)F 269862a_100011217291_200000763224 [0,2,0,0,0,0|2,0,0]=4 13139 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)F 270004a_100015204231_100000697687 [0,2,0,0,0,0|2,0,0]=4 13140 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)F 34a_100011217291_200000696569 [0,2,0,0,0,0|2,0,0]=4 13141 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)F 34a_100015204231_100000709795 [0,2,0,0,0,0|2,0,0]=4 13142 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)O 269862a_200009844824_200000763224 [0,2,0,0,0,0|2,0,0]=4 13143 B19R2.51051 Cc1ccc(cc1CNCC2CCCCCC2)O 34a_200009844824_200000696569 [0,2,0,0,0,0|2,0,0]=4 13144 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)Br 34a_100000700630_200000696569 [0,2,0,0,0,0|2,0,0]=4 13145 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)Br 7a_100000700630_200000696569 [0,2,0,0,0,0|2,0,0]=4 13146 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)Cl 34a_100000699130_100012186985 [0,2,0,0,0,0|2,0,0]=4 13147 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)Cl 34a_100012002407_200000696569 [0,2,0,0,0,0|2,0,0]=4 13148 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)Cl 7a_100000699130_100012186985 [0,2,0,0,0,0|2,0,0]=4 13149 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)Cl 7a_100012002407_200000696569 [0,2,0,0,0,0|2,0,0]=4 13150 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)F 34a_100000699130_100000709795 [0,2,0,0,0,0|2,0,0]=4 13151 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)F 34a_100011219218_200000696569 [0,2,0,0,0,0|2,0,0]=4 13152 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)F 7a_100000699130_100000709795 [0,2,0,0,0,0|2,0,0]=4 13153 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)F 7a_100011219218_200000696569 [0,2,0,0,0,0|2,0,0]=4 13154 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)I 34a_100010150140_200000696569 [0,2,0,0,0,0|2,0,0]=4 13155 B19R2.51051 Cc1ccc(cc1COCC2CCCCCC2)I 7a_100010150140_200000696569 [0,2,0,0,0,0|2,0,0]=4 13156 B19R2.51051 Cc1ccc(cc1CSCC2CCCCCC2)Cl 62a_100012186985_200000696569 [0,2,0,0,0,0|2,0,0]=4 13157 B19R2.51051 Cc1ccc(cc1CSCC2CCCCCC2)Cl 62a_200000696569_100012186985 [0,2,0,0,0,0|2,0,0]=4 13158 B19R2.51051 Cc1ccc(cc1CSCC2CCCCCC2)F 62a_100000709795_200000696569 [0,2,0,0,0,0|2,0,0]=4 13159 B19R2.51051 Cc1ccc(cc1CSCC2CCCCCC2)F 62a_200000696569_100000709795 [0,2,0,0,0,0|2,0,0]=4 13160 B19R2.51051 Clc1ccc(c(c1)CCNC2CCCCCC2)Cl 270004a_100000705354_100000210131 [0,2,0,0,0,0|0,0,0]=2 13161 B19R2.51051 Clc1ccc(c(c1)CCNC2CCCCCC2)Cl 34a_100000705354_100011217769 [0,2,0,0,0,0|0,0,0]=2 13162 B19R2.51051 Clc1ccc(c(c1)CCNC2CCCNCC2)Cl 270004a_100000705354_100015187895 [0,2,0,0,0,0|1,0,0]=3 13163 B19R2.51051 Clc1ccc(c(c1)CCNC2CSCCSC2)Cl 270004a_100000705354_100000068409 [0,2,0,0,0,0|2,0,0]=4 13164 B19R2.51051 Clc1ccc(c(c1)CCOC2CCCCCC2)Br 34a_100012426913_100011217769 [0,2,0,0,0,0|1,0,0]=3 13165 B19R2.51051 Clc1ccc(c(c1)CCOC2CCCCCC2)Cl 34a_100011754359_100011217769 [0,2,0,0,0,0|1,0,0]=3 13166 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Br 207a_100015204231_100000746314 [0,2,0,0,0,0|2,0,0]=4 13167 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Br 2230a_100015204231_100000733903 [0,2,0,0,0,0|2,0,0]=4 13168 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100000746314 [0,2,0,0,0,0|2,0,0]=4 13169 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Br 34a_100015204231_100000733903 [0,2,0,0,0,0|2,0,0]=4 13170 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100000746308 [0,2,0,0,0,0|2,0,0]=4 13171 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Cl 2230a_100015204231_100000756322 [0,2,0,0,0,0|2,0,0]=4 13172 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Cl 269862a_100102946428_200000763224 [0,2,0,0,0,0|2,0,0]=4 13173 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100000746308 [0,2,0,0,0,0|2,0,0]=4 13174 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Cl 34a_100015204231_100000756322 [0,2,0,0,0,0|2,0,0]=4 13175 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)Cl 34a_100102946428_200000696569 [0,2,0,0,0,0|2,0,0]=4 13176 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)I 207a_100015204231_100010254386 [0,2,0,0,0,0|2,0,0]=4 13177 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)I 2230a_100015204231_100012348826 [0,2,0,0,0,0|2,0,0]=4 13178 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)I 270004a_100015204231_100010254386 [0,2,0,0,0,0|2,0,0]=4 13179 B19R2.51051 Clc1ccc(c(c1)CNCC2CCCCCC2)I 34a_100015204231_100012348826 [0,2,0,0,0,0|2,0,0]=4 13180 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100000699130_100000733903 [0,2,0,0,0,0|2,0,0]=4 13181 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100012355668_200000696569 [0,2,0,0,0,0|2,0,0]=4 13182 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100000699130_100000733903 [0,2,0,0,0,0|2,0,0]=4 13183 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100012355668_200000696569 [0,2,0,0,0,0|2,0,0]=4 13184 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100000698905_200000696569 [0,2,0,0,0,0|2,0,0]=4 13185 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100000699130_100000756322 [0,2,0,0,0,0|2,0,0]=4 13186 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Cl 7a_100000698905_200000696569 [0,2,0,0,0,0|2,0,0]=4 13187 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)Cl 7a_100000699130_100000756322 [0,2,0,0,0,0|2,0,0]=4 13188 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)I 34a_100000699130_100012348826 [0,2,0,0,0,0|2,0,0]=4 13189 B19R2.51051 Clc1ccc(c(c1)COCC2CCCCCC2)I 7a_100000699130_100012348826 [0,2,0,0,0,0|2,0,0]=4 13190 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)Br 207a_100015204231_100000746309 [0,2,0,0,0,0|2,0,0]=4 13191 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)Br 2230a_100015204231_100000763347 [0,2,0,0,0,0|2,0,0]=4 13192 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)Br 269862a_100025772652_200000763224 [0,2,0,0,0,0|2,0,0]=4 13193 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)Br 270004a_100015204231_100000746309 [0,2,0,0,0,0|2,0,0]=4 13194 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)Br 34a_100015204231_100000763347 [0,2,0,0,0,0|2,0,0]=4 13195 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)Br 34a_100025772652_200000696569 [0,2,0,0,0,0|2,0,0]=4 13196 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)I 207a_100015204231_100010254384 [0,2,0,0,0,0|2,0,0]=4 13197 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)I 2230a_100015204231_100010188191 [0,2,0,0,0,0|2,0,0]=4 13198 B19R2.51051 Clc1ccc(cc1CNCC2CCCCCC2)I 34a_100015204231_100010188191 [0,2,0,0,0,0|2,0,0]=4 13199 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)Br 34a_100000699130_100000763347 [0,2,0,0,0,0|2,0,0]=4 13200 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)Br 34a_100011215897_200000696569 [0,2,0,0,0,0|2,0,0]=4 13201 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)Br 7a_100000699130_100000763347 [0,2,0,0,0,0|2,0,0]=4 13202 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)Br 7a_100011215897_200000696569 [0,2,0,0,0,0|2,0,0]=4 13203 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)I 34a_100000699130_100010188191 [0,2,0,0,0,0|2,0,0]=4 13204 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)I 34a_100010128486_200000696569 [0,2,0,0,0,0|2,0,0]=4 13205 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)I 7a_100000699130_100010188191 [0,2,0,0,0,0|2,0,0]=4 13206 B19R2.51051 Clc1ccc(cc1COCC2CCCCCC2)I 7a_100010128486_200000696569 [0,2,0,0,0,0|2,0,0]=4 13207 B19R2.51051 Fc1ccc(c(c1)CCNC2CCCCCC2)F 2230a_100000210984_100011755056 [0,2,0,0,0,0|0,0,0]=2 13208 B19R2.51051 Fc1ccc(c(c1)CCNC2CCCCCC2)F 34a_100000210984_100011755056 [0,2,0,0,0,0|0,0,0]=2 13209 B19R2.51051 Fc1ccc(c(c1)CCOC2CCCCCC2)F 34a_100000210887_100011755056 [0,2,0,0,0,0|1,0,0]=3 13210 B19R2.51051 Fc1ccc(c(c1)CCOC2CCCCCC2)F 34a_100011755048_100011217769 [0,2,0,0,0,0|1,0,0]=3 13211 B19R2.51051 Fc1ccc(c(c1)CCOC2CCCCCC2)F 7a_100000210887_100011755056 [0,2,0,0,0,0|1,0,0]=3 13212 B19R2.51051 Fc1ccc(c(c1)CCSC2CCCCCC2)F 62a_100011217769_100011755056 [0,2,0,0,0,0|1,0,0]=3 13213 B19R2.51051 Fc1ccc(c(c1)CCSC2CCCCCC2)F 62a_100011755056_100011217769 [0,2,0,0,0,0|1,0,0]=3 13214 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 207a_100015204231_100000766564 [0,2,0,0,0,0|2,0,0]=4 13215 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 2230a_100000742738_200000696569 [0,2,0,0,0,0|2,0,0]=4 13216 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 2230a_100015204231_100000736370 [0,2,0,0,0,0|2,0,0]=4 13217 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 269862a_100000742738_200000763224 [0,2,0,0,0,0|2,0,0]=4 13218 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 270004a_100015204231_100000766564 [0,2,0,0,0,0|2,0,0]=4 13219 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 34a_100000742738_200000696569 [0,2,0,0,0,0|2,0,0]=4 13220 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Br 34a_100015204231_100000736370 [0,2,0,0,0,0|2,0,0]=4 13221 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 207a_100015204231_100011218309 [0,2,0,0,0,0|2,0,0]=4 13222 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 2230a_100011830483_200000696569 [0,2,0,0,0,0|2,0,0]=4 13223 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 2230a_100015204231_100000709952 [0,2,0,0,0,0|2,0,0]=4 13224 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 269862a_100011830483_200000763224 [0,2,0,0,0,0|2,0,0]=4 13225 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 270004a_100015204231_100011218309 [0,2,0,0,0,0|2,0,0]=4 13226 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 34a_100011830483_200000696569 [0,2,0,0,0,0|2,0,0]=4 13227 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)Cl 34a_100015204231_100000709952 [0,2,0,0,0,0|2,0,0]=4 13228 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)F 207a_100015204231_100000740046 [0,2,0,0,0,0|2,0,0]=4 13229 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)F 2230a_100015204231_100000741279 [0,2,0,0,0,0|2,0,0]=4 13230 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)F 269862a_100000752317_200000763224 [0,2,0,0,0,0|2,0,0]=4 13231 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)F 270004a_100015204231_100000740046 [0,2,0,0,0,0|2,0,0]=4 13232 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)F 34a_100000752317_200000696569 [0,2,0,0,0,0|2,0,0]=4 13233 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)F 34a_100015204231_100000741279 [0,2,0,0,0,0|2,0,0]=4 13234 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)I 207a_100015204231_100010186294 [0,2,0,0,0,0|2,0,0]=4 13235 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)I 2230a_100015204231_100010149606 [0,2,0,0,0,0|2,0,0]=4 13236 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)I 270004a_100015204231_100010186294 [0,2,0,0,0,0|2,0,0]=4 13237 B19R2.51051 Fc1ccc(c(c1)CNCC2CCCCCC2)I 34a_100015204231_100010149606 [0,2,0,0,0,0|2,0,0]=4 13238 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100000699130_100000736370 [0,2,0,0,0,0|2,0,0]=4 13239 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100011217561_200000696569 [0,2,0,0,0,0|2,0,0]=4 13240 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100000699130_100000736370 [0,2,0,0,0,0|2,0,0]=4 13241 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Br 7a_100011217561_200000696569 [0,2,0,0,0,0|2,0,0]=4 13242 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100000699130_100000709952 [0,2,0,0,0,0|2,0,0]=4 13243 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100011218361_200000696569 [0,2,0,0,0,0|2,0,0]=4 13244 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Cl 7a_100000699130_100000709952 [0,2,0,0,0,0|2,0,0]=4 13245 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)Cl 7a_100011218361_200000696569 [0,2,0,0,0,0|2,0,0]=4 13246 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)F 34a_100000699130_100000741279 [0,2,0,0,0,0|2,0,0]=4 13247 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)F 34a_100011217725_200000696569 [0,2,0,0,0,0|2,0,0]=4 13248 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)F 7a_100000699130_100000741279 [0,2,0,0,0,0|2,0,0]=4 13249 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)F 7a_100011217725_200000696569 [0,2,0,0,0,0|2,0,0]=4 13250 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)I 34a_100000699130_100010149606 [0,2,0,0,0,0|2,0,0]=4 13251 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)I 34a_100010255287_200000696569 [0,2,0,0,0,0|2,0,0]=4 13252 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)I 7a_100000699130_100010149606 [0,2,0,0,0,0|2,0,0]=4 13253 B19R2.51051 Fc1ccc(c(c1)COCC2CCCCCC2)I 7a_100010255287_200000696569 [0,2,0,0,0,0|2,0,0]=4 13254 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)Br 62a_100000736370_200000696569 [0,2,0,0,0,0|2,0,0]=4 13255 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)Br 62a_200000696569_100000736370 [0,2,0,0,0,0|2,0,0]=4 13256 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)Cl 62a_100000709952_200000696569 [0,2,0,0,0,0|2,0,0]=4 13257 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)Cl 62a_200000696569_100000709952 [0,2,0,0,0,0|2,0,0]=4 13258 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)F 62a_100000685659_200000696569 [0,2,0,0,0,0|2,0,0]=4 13259 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)F 62a_200000696569_100000685659 [0,2,0,0,0,0|2,0,0]=4 13260 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)I 62a_100010149606_200000696569 [0,2,0,0,0,0|2,0,0]=4 13261 B19R2.51051 Fc1ccc(c(c1)CSCC2CCCCCC2)I 62a_200000696569_100010149606 [0,2,0,0,0,0|2,0,0]=4 13262 B19R2.51051 Fc1ccc(cc1CCNC2CCCCCC2)Cl 270004a_200011997525_100000210131 [0,2,0,0,0,0|0,0,0]=2 13263 B19R2.51051 Fc1ccc(cc1CCNC2CCCCCC2)Cl 34a_200011997525_100011217769 [0,2,0,0,0,0|0,0,0]=2 13264 B19R2.51051 Fc1ccc(cc1CCNC2CCCNCC2)Cl 270004a_200011997525_100015187895 [0,2,0,0,0,0|1,0,0]=3 13265 B19R2.51051 Fc1ccc(cc1CCNC2CSCCSC2)Cl 270004a_200011997525_100000068409 [0,2,0,0,0,0|2,0,0]=4 13266 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Br 207a_100015204231_100000211465 [0,2,0,0,0,0|2,0,0]=4 13267 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Br 2230a_100015204231_100000736399 [0,2,0,0,0,0|2,0,0]=4 13268 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Br 269862a_100009815772_200000763224 [0,2,0,0,0,0|2,0,0]=4 13269 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Br 270004a_100015204231_100000211465 [0,2,0,0,0,0|2,0,0]=4 13270 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Br 34a_100009815772_200000696569 [0,2,0,0,0,0|2,0,0]=4 13271 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Br 34a_100015204231_100000736399 [0,2,0,0,0,0|2,0,0]=4 13272 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Cl 207a_100015204231_100000745245 [0,2,0,0,0,0|2,0,0]=4 13273 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Cl 2230a_100015204231_100000716957 [0,2,0,0,0,0|2,0,0]=4 13274 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Cl 269862a_100011211646_200000763224 [0,2,0,0,0,0|2,0,0]=4 13275 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Cl 270004a_100015204231_100000745245 [0,2,0,0,0,0|2,0,0]=4 13276 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Cl 34a_100011211646_200000696569 [0,2,0,0,0,0|2,0,0]=4 13277 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)Cl 34a_100015204231_100000716957 [0,2,0,0,0,0|2,0,0]=4 13278 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)I 207a_100015204231_100000050626 [0,2,0,0,0,0|2,0,0]=4 13279 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)I 2230a_100015204231_200010149601 [0,2,0,0,0,0|2,0,0]=4 13280 B19R2.51051 Fc1ccc(cc1CNCC2CCCCCC2)I 34a_100015204231_200010149601 [0,2,0,0,0,0|2,0,0]=4 13281 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Br 34a_100000246282_200000696569 [0,2,0,0,0,0|2,0,0]=4 13282 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Br 34a_100000699130_100000736399 [0,2,0,0,0,0|2,0,0]=4 13283 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Br 7a_100000246282_200000696569 [0,2,0,0,0,0|2,0,0]=4 13284 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Br 7a_100000699130_100000736399 [0,2,0,0,0,0|2,0,0]=4 13285 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Cl 34a_100000699130_100000716957 [0,2,0,0,0,0|2,0,0]=4 13286 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Cl 34a_100011217248_200000696569 [0,2,0,0,0,0|2,0,0]=4 13287 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Cl 7a_100000699130_100000716957 [0,2,0,0,0,0|2,0,0]=4 13288 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)Cl 7a_100011217248_200000696569 [0,2,0,0,0,0|2,0,0]=4 13289 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)I 34a_100000049604_200000696569 [0,2,0,0,0,0|2,0,0]=4 13290 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)I 34a_100000699130_200010149601 [0,2,0,0,0,0|2,0,0]=4 13291 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)I 7a_100000049604_200000696569 [0,2,0,0,0,0|2,0,0]=4 13292 B19R2.51051 Fc1ccc(cc1COCC2CCCCCC2)I 7a_100000699130_200010149601 [0,2,0,0,0,0|2,0,0]=4 13293 B19R2.51051 Fc1ccc(cc1CSCC2CCCCCC2)Br 62a_100000736399_200000696569 [0,2,0,0,0,0|2,0,0]=4 13294 B19R2.51051 Fc1ccc(cc1CSCC2CCCCCC2)Br 62a_200000696569_100000736399 [0,2,0,0,0,0|2,0,0]=4 13295 B19R2.51051 Fc1ccc(cc1CSCC2CCCCCC2)Cl 62a_100000716957_200000696569 [0,2,0,0,0,0|2,0,0]=4 13296 B19R2.51051 Fc1ccc(cc1CSCC2CCCCCC2)Cl 62a_200000696569_100000716957 [0,2,0,0,0,0|2,0,0]=4 13297 B19R2.51051 Fc1ccc(cc1CSCC2CCCCCC2)I 62a_200000696569_200010149601 [0,2,0,0,0,0|2,0,0]=4 13298 B19R2.51051 Fc1ccc(cc1CSCC2CCCCCC2)I 62a_200010149601_200000696569 [0,2,0,0,0,0|2,0,0]=4 13299 B19R2.51051 Nc1ccc(c(c1)COCC2CCCCCC2)Br 34a_100012347228_200000696569 [0,2,0,0,0,0|2,0,0]=4 13300 B19R2.51051 Nc1ccc(c(c1)COCC2CCCCCC2)Cl 34a_100011273577_200000696569 [0,2,0,0,0,0|2,0,0]=4 13301 B19R2.51051 Nc1ccc(c(c1)COCC2CCCCCC2)F 34a_100011218011_200000696569 [0,2,0,0,0,0|2,0,0]=4 13302 B19R2.51051 Nc1ccc(cc1COCC2CCCCCC2)Br 34a_100012353972_200000696569 [0,2,0,0,0,0|2,0,0]=4 13303 B19R2.51051 Nc1ccc(cc1COCC2CCCCCC2)Br 7a_100012353972_200000696569 [0,2,0,0,0,0|2,0,0]=4 13304 B19R2.51051 Nc1ccc(cc1COCC2CCCCCC2)Cl 34a_100011214999_200000696569 [0,2,0,0,0,0|2,0,0]=4 13305 B19R2.51051 Nc1ccc(cc1COCC2CCCCCC2)Cl 7a_100011214999_200000696569 [0,2,0,0,0,0|2,0,0]=4 13306 B19R2.51051 Nc1ccc(cc1COCC2CCCCCC2)F 34a_100011296978_200000696569 [0,2,0,0,0,0|2,0,0]=4 13307 B19R2.51051 Nc1ccc(cc1COCC2CCCCCC2)F 7a_100011296978_200000696569 [0,2,0,0,0,0|2,0,0]=4 13308 B19R2.51051 Oc1ccc(cc1CNCC2CCCCCC2)Br 269862a_100000730032_200000763224 [0,2,0,0,0,0|2,0,0]=4 13309 B19R2.51051 Oc1ccc(cc1CNCC2CCCCCC2)Br 34a_100000730032_200000696569 [0,2,0,0,0,0|2,0,0]=4 13310 B19R2.51051 Oc1ccc(cc1CNCC2CCCCCC2)Cl 269862a_100000238540_200000763224 [0,2,0,0,0,0|2,0,0]=4 13311 B19R2.51051 Oc1ccc(cc1CNCC2CCCCCC2)Cl 34a_100000238540_200000696569 [0,2,0,0,0,0|2,0,0]=4 13312 B19R2.51051 Oc1ccc(cc1CNCC2CCCCCC2)F 34a_100015204231_100010161318 [0,2,0,0,0,0|2,0,0]=4 13313 B19R2.51051 Oc1ccc(cc1COCC2CCCCCC2)F 34a_100000699130_100010161318 [0,2,0,0,0,0|2,0,0]=4 13314 B19R2.51051 Oc1ccc(cc1COCC2CCCCCC2)F 7a_100000699130_100010161318 [0,2,0,0,0,0|2,0,0]=4 13315 B19R2.51051 Oc1ccc(cc1CSCC2CCCCCC2)F 62a_100010161318_200000696569 [0,2,0,0,0,0|2,0,0]=4 13316 B19R2.51051 Oc1ccc(cc1CSCC2CCCCCC2)F 62a_200000696569_100010161318 [0,2,0,0,0,0|2,0,0]=4 13317 B19R2.62192 CC1CCCN(CC1)CCCc2cccc(c2)Br 2230a_100025706717_100011713683 [0,2,0,0,0,0|2,0,0]=4 13318 B19R2.62192 CC1CCCN(CC1)CCCc2cccc(c2)Br 269982a_100025706717_100011713683 [0,2,0,0,0,0|2,0,0]=4 13319 B19R2.62192 CC1CCCN(CC1)CCCc2cccc(c2)Br 34a_100025706717_100011713683 [0,2,0,0,0,0|2,0,0]=4 13320 B19R2.62192 CC1CCCN(CC1)CCCc2cccc(c2)F 2230a_100025706717_200000698031 [0,2,0,0,0,0|2,0,0]=4 13321 B19R2.62192 CC1CCCN(CC1)CCCc2cccc(c2)F 269982a_100025706717_200000698031 [0,2,0,0,0,0|2,0,0]=4 13322 B19R2.62192 CC1CCCN(CC1)CCCc2cccc(c2)F 34a_100025706717_200000698031 [0,2,0,0,0,0|2,0,0]=4 13323 B19R2.62192 OC1CCCN(CC1)CCCc2cccc(c2)Br 2230a_100015186869_100011713683 [0,2,0,0,0,0|2,0,0]=4 13324 B19R2.62192 OC1CCCN(CC1)CCCc2cccc(c2)Br 269982a_100015186869_100011713683 [0,2,0,0,0,0|2,0,0]=4 13325 B19R2.62192 OC1CCCN(CC1)CCCc2cccc(c2)F 2230a_100015186869_200000698031 [0,2,0,0,0,0|2,0,0]=4 13326 B19R2.62192 OC1CCCN(CC1)CCCc2cccc(c2)F 269982a_100015186869_200000698031 [0,2,0,0,0,0|2,0,0]=4 13327 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 207a_100015204231_100011215943 [0,2,0,0,0,0|2,0,0]=4 13328 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100012351559_200000696569 [0,2,0,0,0,0|2,0,0]=4 13329 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100015204231_100012353900 [0,2,0,0,0,0|2,0,0]=4 13330 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 269862a_100012351559_200000763224 [0,2,0,0,0,0|2,0,0]=4 13331 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 270004a_100015204231_100011215943 [0,2,0,0,0,0|2,0,0]=4 13332 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 34a_100012351559_200000696569 [0,2,0,0,0,0|2,0,0]=4 13333 B19R2.150540 Brc1ccc(cc1Br)CNCC2CCCCCC2 34a_100015204231_100012353900 [0,2,0,0,0,0|2,0,0]=4 13334 B19R2.150540 Brc1ccc(cc1Br)COCC2CCCCCC2 34a_100000699130_100012353900 [0,2,0,0,0,0|2,0,0]=4 13335 B19R2.150540 Brc1ccc(cc1Br)COCC2CCCCCC2 7a_100000699130_100012353900 [0,2,0,0,0,0|2,0,0]=4 13336 B19R2.150540 Brc1ccc(cc1I)CNCC2CCCCCC2 207a_100015204231_100010146563 [0,2,0,0,0,0|2,0,0]=4 13337 B19R2.150540 Brc1ccc(cc1I)CNCC2CCCCCC2 2230a_100015204231_100010146616 [0,2,0,0,0,0|2,0,0]=4 13338 B19R2.150540 Brc1ccc(cc1I)CNCC2CCCCCC2 270004a_100015204231_100010146563 [0,2,0,0,0,0|2,0,0]=4 13339 B19R2.150540 Brc1ccc(cc1I)CNCC2CCCCCC2 34a_100015204231_100010146616 [0,2,0,0,0,0|2,0,0]=4 13340 B19R2.150540 Brc1ccc(cc1I)COCC2CCCCCC2 34a_100000699130_100010146616 [0,2,0,0,0,0|2,0,0]=4 13341 B19R2.150540 Brc1ccc(cc1I)COCC2CCCCCC2 7a_100000699130_100010146616 [0,2,0,0,0,0|2,0,0]=4 13342 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 207a_100015204231_100000765772 [0,2,0,0,0,0|2,0,0]=4 13343 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 2230a_100015204231_100000727479 [0,2,0,0,0,0|2,0,0]=4 13344 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 2230a_100015205234_200000696569 [0,2,0,0,0,0|2,0,0]=4 13345 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 269862a_100015205234_200000763224 [0,2,0,0,0,0|2,0,0]=4 13346 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 270004a_100015204231_100000765772 [0,2,0,0,0,0|2,0,0]=4 13347 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 34a_100015204231_100000727479 [0,2,0,0,0,0|2,0,0]=4 13348 B19R2.150540 Cc1cc(ccc1Br)CNCC2CCCCCC2 34a_100015205234_200000696569 [0,2,0,0,0,0|2,0,0]=4 13349 B19R2.150540 Cc1cc(ccc1Br)COCC2CCCCCC2 34a_100000699130_100000727479 [0,2,0,0,0,0|2,0,0]=4 13350 B19R2.150540 Cc1cc(ccc1Br)COCC2CCCCCC2 34a_100000718852_200000696569 [0,2,0,0,0,0|2,0,0]=4 13351 B19R2.150540 Cc1cc(ccc1Br)COCC2CCCCCC2 7a_100000699130_100000727479 [0,2,0,0,0,0|2,0,0]=4 13352 B19R2.150540 Cc1cc(ccc1Br)COCC2CCCCCC2 7a_100000718852_200000696569 [0,2,0,0,0,0|2,0,0]=4 13353 B19R2.150540 Cc1cc(ccc1Br)CSCC2CCCCCC2 62a_100000727479_200000696569 [0,2,0,0,0,0|2,0,0]=4 13354 B19R2.150540 Cc1cc(ccc1Br)CSCC2CCCCCC2 62a_200000696569_100000727479 [0,2,0,0,0,0|2,0,0]=4 13355 B19R2.150540 Cc1cc(ccc1Cl)CNCC2CCCCCC2 207a_100015204231_100000698814 [0,2,0,0,0,0|2,0,0]=4 13356 B19R2.150540 Cc1cc(ccc1Cl)CNCC2CCCCCC2 2230a_100015204231_100012184735 [0,2,0,0,0,0|2,0,0]=4 13357 B19R2.150540 Cc1cc(ccc1Cl)CNCC2CCCCCC2 270004a_100015204231_100000698814 [0,2,0,0,0,0|2,0,0]=4 13358 B19R2.150540 Cc1cc(ccc1Cl)CNCC2CCCCCC2 34a_100015204231_100012184735 [0,2,0,0,0,0|2,0,0]=4 13359 B19R2.150540 Cc1cc(ccc1Cl)COCC2CCCCCC2 34a_100000699130_100012184735 [0,2,0,0,0,0|2,0,0]=4 13360 B19R2.150540 Cc1cc(ccc1Cl)COCC2CCCCCC2 7a_100000699130_100012184735 [0,2,0,0,0,0|2,0,0]=4 13361 B19R2.150540 Cc1cc(ccc1Cl)CSCC2CCCCCC2 62a_100012184735_200000696569 [0,2,0,0,0,0|2,0,0]=4 13362 B19R2.150540 Cc1cc(ccc1Cl)CSCC2CCCCCC2 62a_200000696569_100012184735 [0,2,0,0,0,0|2,0,0]=4 13363 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 207a_100015204231_100000748208 [0,2,0,0,0,0|2,0,0]=4 13364 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 2230a_100000239911_200000696569 [0,2,0,0,0,0|2,0,0]=4 13365 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 2230a_100015204231_100011216667 [0,2,0,0,0,0|2,0,0]=4 13366 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 269862a_100000239911_200000763224 [0,2,0,0,0,0|2,0,0]=4 13367 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 270004a_100015204231_100000748208 [0,2,0,0,0,0|2,0,0]=4 13368 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 34a_100000239911_200000696569 [0,2,0,0,0,0|2,0,0]=4 13369 B19R2.150540 Cc1cc(ccc1F)CNCC2CCCCCC2 34a_100015204231_100011216667 [0,2,0,0,0,0|2,0,0]=4 13370 B19R2.150540 Cc1cc(ccc1F)COCC2CCCCCC2 34a_100000699130_100011216667 [0,2,0,0,0,0|2,0,0]=4 13371 B19R2.150540 Cc1cc(ccc1F)COCC2CCCCCC2 34a_100011219793_200000696569 [0,2,0,0,0,0|2,0,0]=4 13372 B19R2.150540 Cc1cc(ccc1F)COCC2CCCCCC2 7a_100000699130_100011216667 [0,2,0,0,0,0|2,0,0]=4 13373 B19R2.150540 Cc1cc(ccc1F)COCC2CCCCCC2 7a_100011219793_200000696569 [0,2,0,0,0,0|2,0,0]=4 13374 B19R2.150540 Cc1cc(ccc1F)CSCC2CCCCCC2 62a_100011216667_200000696569 [0,2,0,0,0,0|2,0,0]=4 13375 B19R2.150540 Cc1cc(ccc1F)CSCC2CCCCCC2 62a_200000696569_100011216667 [0,2,0,0,0,0|2,0,0]=4 13376 B19R2.150540 Cc1cc(ccc1N)COCC2CCCCCC2 34a_200011997030_200000696569 [0,2,0,0,0,0|2,0,0]=4 13377 B19R2.150540 Cc1ccc(cc1Br)CNCC2CCCCCC2 207a_100015204231_100000695567 [0,2,0,0,0,0|2,0,0]=4 13378 B19R2.150540 Cc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100015204231_100012232412 [0,2,0,0,0,0|2,0,0]=4 13379 B19R2.150540 Cc1ccc(cc1Br)CNCC2CCCCCC2 270004a_100015204231_100000695567 [0,2,0,0,0,0|2,0,0]=4 13380 B19R2.150540 Cc1ccc(cc1Br)CNCC2CCCCCC2 34a_100015204231_100012232412 [0,2,0,0,0,0|2,0,0]=4 13381 B19R2.150540 Cc1ccc(cc1Br)COCC2CCCCCC2 34a_100000699130_100012232412 [0,2,0,0,0,0|2,0,0]=4 13382 B19R2.150540 Cc1ccc(cc1Br)COCC2CCCCCC2 34a_100000708995_200000696569 [0,2,0,0,0,0|2,0,0]=4 13383 B19R2.150540 Cc1ccc(cc1Br)COCC2CCCCCC2 7a_100000699130_100012232412 [0,2,0,0,0,0|2,0,0]=4 13384 B19R2.150540 Cc1ccc(cc1Br)COCC2CCCCCC2 7a_100000708995_200000696569 [0,2,0,0,0,0|2,0,0]=4 13385 B19R2.150540 Cc1ccc(cc1Br)CSCC2CCCCCC2 62a_100012232412_200000696569 [0,2,0,0,0,0|2,0,0]=4 13386 B19R2.150540 Cc1ccc(cc1Br)CSCC2CCCCCC2 62a_200000696569_100012232412 [0,2,0,0,0,0|2,0,0]=4 13387 B19R2.150540 Cc1ccc(cc1C)CCNC2CCCCCC2 270004a_100020591374_100000210131 [0,2,0,0,0,0|0,0,0]=2 13388 B19R2.150540 Cc1ccc(cc1C)CCNC2CCCCCC2 34a_100020591374_100011217769 [0,2,0,0,0,0|0,0,0]=2 13389 B19R2.150540 Cc1ccc(cc1C)CCNC2CCCNCC2 270004a_100020591374_100015187895 [0,2,0,0,0,0|1,0,0]=3 13390 B19R2.150540 Cc1ccc(cc1C)CCNC2CSCCSC2 270004a_100020591374_100000068409 [0,2,0,0,0,0|2,0,0]=4 13391 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 207a_100015204231_100000229942 [0,2,0,0,0,0|2,0,0]=4 13392 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 2230a_100015204231_100000742320 [0,2,0,0,0,0|2,0,0]=4 13393 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 2230a_100025706692_200000696569 [0,2,0,0,0,0|2,0,0]=4 13394 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 269862a_100025706692_200000763224 [0,2,0,0,0,0|2,0,0]=4 13395 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 270004a_100015204231_100000229942 [0,2,0,0,0,0|2,0,0]=4 13396 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 34a_100015204231_100000742320 [0,2,0,0,0,0|2,0,0]=4 13397 B19R2.150540 Cc1ccc(cc1C)CNCC2CCCCCC2 34a_100025706692_200000696569 [0,2,0,0,0,0|2,0,0]=4 13398 B19R2.150540 Cc1ccc(cc1C)COCC2CCCCCC2 34a_100000699130_100000742320 [0,2,0,0,0,0|2,0,0]=4 13399 B19R2.150540 Cc1ccc(cc1C)COCC2CCCCCC2 34a_100011215342_200000696569 [0,2,0,0,0,0|2,0,0]=4 13400 B19R2.150540 Cc1ccc(cc1C)COCC2CCCCCC2 7a_100000699130_100000742320 [0,2,0,0,0,0|2,0,0]=4 13401 B19R2.150540 Cc1ccc(cc1C)COCC2CCCCCC2 7a_100011215342_200000696569 [0,2,0,0,0,0|2,0,0]=4 13402 B19R2.150540 Cc1ccc(cc1C)CSCC2CCCCCC2 62a_100000742320_200000696569 [0,2,0,0,0,0|2,0,0]=4 13403 B19R2.150540 Cc1ccc(cc1C)CSCC2CCCCCC2 62a_200000696569_100000742320 [0,2,0,0,0,0|2,0,0]=4 13404 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 207a_100015204231_100000760539 [0,2,0,0,0,0|2,0,0]=4 13405 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 2230a_100015204231_100011823929 [0,2,0,0,0,0|2,0,0]=4 13406 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 2230a_102495364989_200000696569 [0,2,0,0,0,0|2,0,0]=4 13407 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 269862a_102495364989_200000763224 [0,2,0,0,0,0|2,0,0]=4 13408 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 270004a_100015204231_100000760539 [0,2,0,0,0,0|2,0,0]=4 13409 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 34a_100015204231_100011823929 [0,2,0,0,0,0|2,0,0]=4 13410 B19R2.150540 Cc1ccc(cc1Cl)CNCC2CCCCCC2 34a_102495364989_200000696569 [0,2,0,0,0,0|2,0,0]=4 13411 B19R2.150540 Cc1ccc(cc1Cl)COCC2CCCCCC2 34a_100000699130_100011823929 [0,2,0,0,0,0|2,0,0]=4 13412 B19R2.150540 Cc1ccc(cc1Cl)COCC2CCCCCC2 34a_100011290783_200000696569 [0,2,0,0,0,0|2,0,0]=4 13413 B19R2.150540 Cc1ccc(cc1Cl)COCC2CCCCCC2 7a_100000699130_100011823929 [0,2,0,0,0,0|2,0,0]=4 13414 B19R2.150540 Cc1ccc(cc1Cl)COCC2CCCCCC2 7a_100011290783_200000696569 [0,2,0,0,0,0|2,0,0]=4 13415 B19R2.150540 Cc1ccc(cc1Cl)CSCC2CCCCCC2 62a_100011823929_200000696569 [0,2,0,0,0,0|2,0,0]=4 13416 B19R2.150540 Cc1ccc(cc1Cl)CSCC2CCCCCC2 62a_200000696569_100011823929 [0,2,0,0,0,0|2,0,0]=4 13417 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 207a_100015204231_100000753222 [0,2,0,0,0,0|2,0,0]=4 13418 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 2230a_100015204231_100011217369 [0,2,0,0,0,0|2,0,0]=4 13419 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 2230a_100102708794_200000696569 [0,2,0,0,0,0|2,0,0]=4 13420 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 269862a_100102708794_200000763224 [0,2,0,0,0,0|2,0,0]=4 13421 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 270004a_100015204231_100000753222 [0,2,0,0,0,0|2,0,0]=4 13422 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 34a_100015204231_100011217369 [0,2,0,0,0,0|2,0,0]=4 13423 B19R2.150540 Cc1ccc(cc1F)CNCC2CCCCCC2 34a_100102708794_200000696569 [0,2,0,0,0,0|2,0,0]=4 13424 B19R2.150540 Cc1ccc(cc1F)COCC2CCCCCC2 34a_100000699130_100011217369 [0,2,0,0,0,0|2,0,0]=4 13425 B19R2.150540 Cc1ccc(cc1F)COCC2CCCCCC2 34a_100000702247_200000696569 [0,2,0,0,0,0|2,0,0]=4 13426 B19R2.150540 Cc1ccc(cc1F)COCC2CCCCCC2 7a_100000699130_100011217369 [0,2,0,0,0,0|2,0,0]=4 13427 B19R2.150540 Cc1ccc(cc1F)COCC2CCCCCC2 7a_100000702247_200000696569 [0,2,0,0,0,0|2,0,0]=4 13428 B19R2.150540 Cc1ccc(cc1F)CSCC2CCCCCC2 62a_100011217369_200000696569 [0,2,0,0,0,0|2,0,0]=4 13429 B19R2.150540 Cc1ccc(cc1F)CSCC2CCCCCC2 62a_200000696569_100011217369 [0,2,0,0,0,0|2,0,0]=4 13430 B19R2.150540 Cc1ccc(cc1I)CNCC2CCCCCC2 207a_100015204231_100010197721 [0,2,0,0,0,0|2,0,0]=4 13431 B19R2.150540 Cc1ccc(cc1I)CNCC2CCCCCC2 2230a_100015204231_100010206137 [0,2,0,0,0,0|2,0,0]=4 13432 B19R2.150540 Cc1ccc(cc1I)CNCC2CCCCCC2 270004a_100015204231_100010197721 [0,2,0,0,0,0|2,0,0]=4 13433 B19R2.150540 Cc1ccc(cc1I)CNCC2CCCCCC2 34a_100015204231_100010206137 [0,2,0,0,0,0|2,0,0]=4 13434 B19R2.150540 Cc1ccc(cc1I)COCC2CCCCCC2 34a_100000050133_200000696569 [0,2,0,0,0,0|2,0,0]=4 13435 B19R2.150540 Cc1ccc(cc1I)COCC2CCCCCC2 34a_100000699130_100010206137 [0,2,0,0,0,0|2,0,0]=4 13436 B19R2.150540 Cc1ccc(cc1I)COCC2CCCCCC2 7a_100000050133_200000696569 [0,2,0,0,0,0|2,0,0]=4 13437 B19R2.150540 Cc1ccc(cc1I)COCC2CCCCCC2 7a_100000699130_100010206137 [0,2,0,0,0,0|2,0,0]=4 13438 B19R2.150540 Cc1ccc(cc1I)CSCC2CCCCCC2 62a_100010206137_200000696569 [0,2,0,0,0,0|2,0,0]=4 13439 B19R2.150540 Cc1ccc(cc1I)CSCC2CCCCCC2 62a_200000696569_100010206137 [0,2,0,0,0,0|2,0,0]=4 13440 B19R2.150540 Cc1ccc(cc1N)COCC2CCCCCC2 34a_100000758420_200000696569 [0,2,0,0,0,0|2,0,0]=4 13441 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 207a_100015204231_100000690054 [0,2,0,0,0,0|2,0,0]=4 13442 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 2230a_100012362553_200000696569 [0,2,0,0,0,0|2,0,0]=4 13443 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 2230a_100015204231_100012353895 [0,2,0,0,0,0|2,0,0]=4 13444 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 269862a_100012362553_200000763224 [0,2,0,0,0,0|2,0,0]=4 13445 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 270004a_100015204231_100000690054 [0,2,0,0,0,0|2,0,0]=4 13446 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 34a_100012362553_200000696569 [0,2,0,0,0,0|2,0,0]=4 13447 B19R2.150540 Clc1cc(ccc1Br)CNCC2CCCCCC2 34a_100015204231_100012353895 [0,2,0,0,0,0|2,0,0]=4 13448 B19R2.150540 Clc1cc(ccc1Br)COCC2CCCCCC2 34a_100000699130_100012353895 [0,2,0,0,0,0|2,0,0]=4 13449 B19R2.150540 Clc1cc(ccc1Br)COCC2CCCCCC2 34a_100000709168_200000696569 [0,2,0,0,0,0|2,0,0]=4 13450 B19R2.150540 Clc1cc(ccc1Br)COCC2CCCCCC2 7a_100000699130_100012353895 [0,2,0,0,0,0|2,0,0]=4 13451 B19R2.150540 Clc1cc(ccc1Br)COCC2CCCCCC2 7a_100000709168_200000696569 [0,2,0,0,0,0|2,0,0]=4 13452 B19R2.150540 Clc1cc(ccc1I)CNCC2CCCCCC2 2230a_100015204231_100012349665 [0,2,0,0,0,0|2,0,0]=4 13453 B19R2.150540 Clc1cc(ccc1I)CNCC2CCCCCC2 34a_100015204231_100012349665 [0,2,0,0,0,0|2,0,0]=4 13454 B19R2.150540 Clc1cc(ccc1I)COCC2CCCCCC2 34a_100000699130_100012349665 [0,2,0,0,0,0|2,0,0]=4 13455 B19R2.150540 Clc1cc(ccc1I)COCC2CCCCCC2 34a_100000718186_200000696569 [0,2,0,0,0,0|2,0,0]=4 13456 B19R2.150540 Clc1cc(ccc1I)COCC2CCCCCC2 7a_100000699130_100012349665 [0,2,0,0,0,0|2,0,0]=4 13457 B19R2.150540 Clc1cc(ccc1I)COCC2CCCCCC2 7a_100000718186_200000696569 [0,2,0,0,0,0|2,0,0]=4 13458 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 207a_100015204231_100000693810 [0,2,0,0,0,0|2,0,0]=4 13459 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100012349490_200000696569 [0,2,0,0,0,0|2,0,0]=4 13460 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100015204231_100012353894 [0,2,0,0,0,0|2,0,0]=4 13461 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 269862a_100012349490_200000763224 [0,2,0,0,0,0|2,0,0]=4 13462 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 270004a_100015204231_100000693810 [0,2,0,0,0,0|2,0,0]=4 13463 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 34a_100012349490_200000696569 [0,2,0,0,0,0|2,0,0]=4 13464 B19R2.150540 Clc1ccc(cc1Br)CNCC2CCCCCC2 34a_100015204231_100012353894 [0,2,0,0,0,0|2,0,0]=4 13465 B19R2.150540 Clc1ccc(cc1Br)COCC2CCCCCC2 34a_100000699130_100012353894 [0,2,0,0,0,0|2,0,0]=4 13466 B19R2.150540 Clc1ccc(cc1Br)COCC2CCCCCC2 34a_100012353893_200000696569 [0,2,0,0,0,0|2,0,0]=4 13467 B19R2.150540 Clc1ccc(cc1Br)COCC2CCCCCC2 7a_100000699130_100012353894 [0,2,0,0,0,0|2,0,0]=4 13468 B19R2.150540 Clc1ccc(cc1Br)COCC2CCCCCC2 7a_100012353893_200000696569 [0,2,0,0,0,0|2,0,0]=4 13469 B19R2.150540 Clc1ccc(cc1Cl)CCNC2CCCCCC2 2230a_100000210984_100011713676 [0,2,0,0,0,0|0,0,0]=2 13470 B19R2.150540 Clc1ccc(cc1Cl)CCNC2CCCCCC2 270004a_100011207230_100000210131 [0,2,0,0,0,0|0,0,0]=2 13471 B19R2.150540 Clc1ccc(cc1Cl)CCNC2CCCCCC2 34a_100000210984_100011713676 [0,2,0,0,0,0|0,0,0]=2 13472 B19R2.150540 Clc1ccc(cc1Cl)CCNC2CCCCCC2 34a_100011207230_100011217769 [0,2,0,0,0,0|0,0,0]=2 13473 B19R2.150540 Clc1ccc(cc1Cl)CCNC2CCCNCC2 270004a_100011207230_100015187895 [0,2,0,0,0,0|1,0,0]=3 13474 B19R2.150540 Clc1ccc(cc1Cl)CCNC2CSCCSC2 270004a_100011207230_100000068409 [0,2,0,0,0,0|2,0,0]=4 13475 B19R2.150540 Clc1ccc(cc1Cl)CCOC2CCCCCC2 34a_100000210887_100011713676 [0,2,0,0,0,0|1,0,0]=3 13476 B19R2.150540 Clc1ccc(cc1Cl)CCOC2CCCCCC2 34a_100011709245_100011217769 [0,2,0,0,0,0|1,0,0]=3 13477 B19R2.150540 Clc1ccc(cc1Cl)CCOC2CCCCCC2 7a_100000210887_100011713676 [0,2,0,0,0,0|1,0,0]=3 13478 B19R2.150540 Clc1ccc(cc1Cl)CCSC2CCCCCC2 62a_100011217769_100011713676 [0,2,0,0,0,0|1,0,0]=3 13479 B19R2.150540 Clc1ccc(cc1Cl)CCSC2CCCCCC2 62a_100011713676_100011217769 [0,2,0,0,0,0|1,0,0]=3 13480 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 207a_100015204231_100000188533 [0,2,0,0,0,0|2,0,0]=4 13481 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 2230a_100000174881_200000696569 [0,2,0,0,0,0|2,0,0]=4 13482 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 2230a_100015204231_100000184707 [0,2,0,0,0,0|2,0,0]=4 13483 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 269862a_100000174881_200000763224 [0,2,0,0,0,0|2,0,0]=4 13484 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 270004a_100015204231_100000188533 [0,2,0,0,0,0|2,0,0]=4 13485 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 34a_100000174881_200000696569 [0,2,0,0,0,0|2,0,0]=4 13486 B19R2.150540 Clc1ccc(cc1Cl)CNCC2CCCCCC2 34a_100015204231_100000184707 [0,2,0,0,0,0|2,0,0]=4 13487 B19R2.150540 Clc1ccc(cc1Cl)COCC2CCCCCC2 34a_100000211588_200000696569 [0,2,0,0,0,0|2,0,0]=4 13488 B19R2.150540 Clc1ccc(cc1Cl)COCC2CCCCCC2 34a_100000699130_100000184707 [0,2,0,0,0,0|2,0,0]=4 13489 B19R2.150540 Clc1ccc(cc1Cl)COCC2CCCCCC2 7a_100000211588_200000696569 [0,2,0,0,0,0|2,0,0]=4 13490 B19R2.150540 Clc1ccc(cc1Cl)COCC2CCCCCC2 7a_100000699130_100000184707 [0,2,0,0,0,0|2,0,0]=4 13491 B19R2.150540 Clc1ccc(cc1I)CNCC2CCCCCC2 207a_100015204231_100010209939 [0,2,0,0,0,0|2,0,0]=4 13492 B19R2.150540 Clc1ccc(cc1I)CNCC2CCCCCC2 270004a_100015204231_100010209939 [0,2,0,0,0,0|2,0,0]=4 13493 B19R2.150540 Fc1cc(ccc1Br)CCOC2CCCCCC2 34a_100012921202_100011217769 [0,2,0,0,0,0|1,0,0]=3 13494 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 207a_100015204231_100000686674 [0,2,0,0,0,0|2,0,0]=4 13495 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 2230a_100000755036_200000696569 [0,2,0,0,0,0|2,0,0]=4 13496 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 2230a_100015204231_100000767054 [0,2,0,0,0,0|2,0,0]=4 13497 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 269862a_100000755036_200000763224 [0,2,0,0,0,0|2,0,0]=4 13498 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 270004a_100015204231_100000686674 [0,2,0,0,0,0|2,0,0]=4 13499 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 34a_100000755036_200000696569 [0,2,0,0,0,0|2,0,0]=4 13500 B19R2.150540 Fc1cc(ccc1Br)CNCC2CCCCCC2 34a_100015204231_100000767054 [0,2,0,0,0,0|2,0,0]=4 13501 B19R2.150540 Fc1cc(ccc1Br)COCC2CCCCCC2 34a_100000699130_100000767054 [0,2,0,0,0,0|2,0,0]=4 13502 B19R2.150540 Fc1cc(ccc1Br)COCC2CCCCCC2 34a_100011533735_200000696569 [0,2,0,0,0,0|2,0,0]=4 13503 B19R2.150540 Fc1cc(ccc1Br)COCC2CCCCCC2 7a_100000699130_100000767054 [0,2,0,0,0,0|2,0,0]=4 13504 B19R2.150540 Fc1cc(ccc1Br)COCC2CCCCCC2 7a_100011533735_200000696569 [0,2,0,0,0,0|2,0,0]=4 13505 B19R2.150540 Fc1cc(ccc1Br)CSCC2CCCCCC2 62a_100000767054_200000696569 [0,2,0,0,0,0|2,0,0]=4 13506 B19R2.150540 Fc1cc(ccc1Br)CSCC2CCCCCC2 62a_200000696569_100000767054 [0,2,0,0,0,0|2,0,0]=4 13507 B19R2.150540 Fc1cc(ccc1Cl)CCOC2CCCCCC2 34a_100011934464_100011217769 [0,2,0,0,0,0|1,0,0]=3 13508 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 207a_100015204231_100000745630 [0,2,0,0,0,0|2,0,0]=4 13509 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 2230a_100011219866_200000696569 [0,2,0,0,0,0|2,0,0]=4 13510 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 2230a_100015204231_100000716492 [0,2,0,0,0,0|2,0,0]=4 13511 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 269862a_100011219866_200000763224 [0,2,0,0,0,0|2,0,0]=4 13512 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 270004a_100015204231_100000745630 [0,2,0,0,0,0|2,0,0]=4 13513 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 34a_100011219866_200000696569 [0,2,0,0,0,0|2,0,0]=4 13514 B19R2.150540 Fc1cc(ccc1Cl)CNCC2CCCCCC2 34a_100015204231_100011519011 [0,2,0,0,0,0|2,0,0]=4 13515 B19R2.150540 Fc1cc(ccc1Cl)COCC2CCCCCC2 34a_100000699130_100011519011 [0,2,0,0,0,0|2,0,0]=4 13516 B19R2.150540 Fc1cc(ccc1Cl)COCC2CCCCCC2 34a_100011218299_200000696569 [0,2,0,0,0,0|2,0,0]=4 13517 B19R2.150540 Fc1cc(ccc1Cl)COCC2CCCCCC2 7a_100000699130_100000716492 [0,2,0,0,0,0|2,0,0]=4 13518 B19R2.150540 Fc1cc(ccc1Cl)COCC2CCCCCC2 7a_100011218299_200000696569 [0,2,0,0,0,0|2,0,0]=4 13519 B19R2.150540 Fc1cc(ccc1Cl)CSCC2CCCCCC2 62a_100000716492_200000696569 [0,2,0,0,0,0|2,0,0]=4 13520 B19R2.150540 Fc1cc(ccc1Cl)CSCC2CCCCCC2 62a_200000696569_100000716492 [0,2,0,0,0,0|2,0,0]=4 13521 B19R2.150540 Fc1cc(ccc1I)CNCC2CCCCCC2 207a_100015204231_100000050832 [0,2,0,0,0,0|2,0,0]=4 13522 B19R2.150540 Fc1cc(ccc1I)CNCC2CCCCCC2 2230a_100015204231_100010149604 [0,2,0,0,0,0|2,0,0]=4 13523 B19R2.150540 Fc1cc(ccc1I)CNCC2CCCCCC2 270004a_100015204231_100000050832 [0,2,0,0,0,0|2,0,0]=4 13524 B19R2.150540 Fc1cc(ccc1I)CNCC2CCCCCC2 34a_100015204231_100010149604 [0,2,0,0,0,0|2,0,0]=4 13525 B19R2.150540 Fc1cc(ccc1I)COCC2CCCCCC2 34a_100000699130_100010149604 [0,2,0,0,0,0|2,0,0]=4 13526 B19R2.150540 Fc1cc(ccc1I)COCC2CCCCCC2 34a_100010149597_200000696569 [0,2,0,0,0,0|2,0,0]=4 13527 B19R2.150540 Fc1cc(ccc1I)COCC2CCCCCC2 7a_100000699130_100010149604 [0,2,0,0,0,0|2,0,0]=4 13528 B19R2.150540 Fc1cc(ccc1I)COCC2CCCCCC2 7a_100010149597_200000696569 [0,2,0,0,0,0|2,0,0]=4 13529 B19R2.150540 Fc1cc(ccc1I)CSCC2CCCCCC2 62a_100010149604_200000696569 [0,2,0,0,0,0|2,0,0]=4 13530 B19R2.150540 Fc1cc(ccc1I)CSCC2CCCCCC2 62a_200000696569_100010149604 [0,2,0,0,0,0|2,0,0]=4 13531 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 207a_100015204231_100000211747 [0,2,0,0,0,0|2,0,0]=4 13532 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100015193890_200000696569 [0,2,0,0,0,0|2,0,0]=4 13533 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 2230a_100015204231_100011206884 [0,2,0,0,0,0|2,0,0]=4 13534 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 269862a_100015193890_200000763224 [0,2,0,0,0,0|2,0,0]=4 13535 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 270004a_100015204231_100000211747 [0,2,0,0,0,0|2,0,0]=4 13536 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 34a_100015193890_200000696569 [0,2,0,0,0,0|2,0,0]=4 13537 B19R2.150540 Fc1ccc(cc1Br)CNCC2CCCCCC2 34a_100015204231_100011206884 [0,2,0,0,0,0|2,0,0]=4 13538 B19R2.150540 Fc1ccc(cc1Br)COCC2CCCCCC2 34a_100000246287_200000696569 [0,2,0,0,0,0|2,0,0]=4 13539 B19R2.150540 Fc1ccc(cc1Br)COCC2CCCCCC2 34a_100000699130_100011206884 [0,2,0,0,0,0|2,0,0]=4 13540 B19R2.150540 Fc1ccc(cc1Br)COCC2CCCCCC2 7a_100000246287_200000696569 [0,2,0,0,0,0|2,0,0]=4 13541 B19R2.150540 Fc1ccc(cc1Br)COCC2CCCCCC2 7a_100000699130_100011206884 [0,2,0,0,0,0|2,0,0]=4 13542 B19R2.150540 Fc1ccc(cc1Br)CSCC2CCCCCC2 62a_100011206884_200000696569 [0,2,0,0,0,0|2,0,0]=4 13543 B19R2.150540 Fc1ccc(cc1Br)CSCC2CCCCCC2 62a_200000696569_100011206884 [0,2,0,0,0,0|2,0,0]=4 13544 B19R2.150540 Fc1ccc(cc1Cl)CCNC2CCCCCC2 2230a_100000210984_100012361305 [0,2,0,0,0,0|0,0,0]=2 13545 B19R2.150540 Fc1ccc(cc1Cl)CCNC2CCCCCC2 270004a_200011997520_100000210131 [0,2,0,0,0,0|0,0,0]=2 13546 B19R2.150540 Fc1ccc(cc1Cl)CCNC2CCCCCC2 34a_100000210984_100012361305 [0,2,0,0,0,0|0,0,0]=2 13547 B19R2.150540 Fc1ccc(cc1Cl)CCNC2CCCCCC2 34a_200011997520_100011217769 [0,2,0,0,0,0|0,0,0]=2 13548 B19R2.150540 Fc1ccc(cc1Cl)CCNC2CCCNCC2 270004a_200011997520_100015187895 [0,2,0,0,0,0|1,0,0]=3 13549 B19R2.150540 Fc1ccc(cc1Cl)CCNC2CSCCSC2 270004a_200011997520_100000068409 [0,2,0,0,0,0|2,0,0]=4 13550 B19R2.150540 Fc1ccc(cc1Cl)CCOC2CCCCCC2 34a_100000210887_100012361305 [0,2,0,0,0,0|1,0,0]=3 13551 B19R2.150540 Fc1ccc(cc1Cl)CCOC2CCCCCC2 34a_100011830478_100011217769 [0,2,0,0,0,0|1,0,0]=3 13552 B19R2.150540 Fc1ccc(cc1Cl)CCOC2CCCCCC2 7a_100000210887_100012361305 [0,2,0,0,0,0|1,0,0]=3 13553 B19R2.150540 Fc1ccc(cc1Cl)CCSC2CCCCCC2 62a_100011217769_100012361305 [0,2,0,0,0,0|1,0,0]=3 13554 B19R2.150540 Fc1ccc(cc1Cl)CCSC2CCCCCC2 62a_100012361305_100011217769 [0,2,0,0,0,0|1,0,0]=3 13555 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 207a_100015204231_100000742290 [0,2,0,0,0,0|2,0,0]=4 13556 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 2230a_100000749334_200000696569 [0,2,0,0,0,0|2,0,0]=4 13557 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 2230a_100015204231_100000717365 [0,2,0,0,0,0|2,0,0]=4 13558 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 269862a_100000749334_200000763224 [0,2,0,0,0,0|2,0,0]=4 13559 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 270004a_100015204231_100000742290 [0,2,0,0,0,0|2,0,0]=4 13560 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 34a_100000749334_200000696569 [0,2,0,0,0,0|2,0,0]=4 13561 B19R2.150540 Fc1ccc(cc1Cl)CNCC2CCCCCC2 34a_100015204231_100011934319 [0,2,0,0,0,0|2,0,0]=4 13562 B19R2.150540 Fc1ccc(cc1Cl)COCC2CCCCCC2 34a_100000699130_100011934319 [0,2,0,0,0,0|2,0,0]=4 13563 B19R2.150540 Fc1ccc(cc1Cl)COCC2CCCCCC2 34a_100011217911_200000696569 [0,2,0,0,0,0|2,0,0]=4 13564 B19R2.150540 Fc1ccc(cc1Cl)COCC2CCCCCC2 7a_100000699130_100000717365 [0,2,0,0,0,0|2,0,0]=4 13565 B19R2.150540 Fc1ccc(cc1Cl)COCC2CCCCCC2 7a_100011217911_200000696569 [0,2,0,0,0,0|2,0,0]=4 13566 B19R2.150540 Fc1ccc(cc1Cl)CSCC2CCCCCC2 62a_100000717365_200000696569 [0,2,0,0,0,0|2,0,0]=4 13567 B19R2.150540 Fc1ccc(cc1Cl)CSCC2CCCCCC2 62a_200000696569_100011934319 [0,2,0,0,0,0|2,0,0]=4 13568 B19R2.150540 Fc1ccc(cc1F)CCNC2CCCCCC2 2230a_100000210984_100000690553 [0,2,0,0,0,0|0,0,0]=2 13569 B19R2.150540 Fc1ccc(cc1F)CCNC2CCCCCC2 270004a_200000706328_100000210131 [0,2,0,0,0,0|0,0,0]=2 13570 B19R2.150540 Fc1ccc(cc1F)CCNC2CCCCCC2 34a_100000210984_100000690553 [0,2,0,0,0,0|0,0,0]=2 13571 B19R2.150540 Fc1ccc(cc1F)CCNC2CCCCCC2 34a_200000706328_100011217769 [0,2,0,0,0,0|0,0,0]=2 13572 B19R2.150540 Fc1ccc(cc1F)CCNC2CCCNCC2 270004a_200000706328_100015187895 [0,2,0,0,0,0|1,0,0]=3 13573 B19R2.150540 Fc1ccc(cc1F)CCNC2CSCCSC2 270004a_200000706328_100000068409 [0,2,0,0,0,0|2,0,0]=4 13574 B19R2.150540 Fc1ccc(cc1F)CCOC2CCCCCC2 34a_100000210887_100000690553 [0,2,0,0,0,0|1,0,0]=3 13575 B19R2.150540 Fc1ccc(cc1F)CCOC2CCCCCC2 34a_100000690376_100011217769 [0,2,0,0,0,0|1,0,0]=3 13576 B19R2.150540 Fc1ccc(cc1F)CCOC2CCCCCC2 7a_100000210887_100000690553 [0,2,0,0,0,0|1,0,0]=3 13577 B19R2.150540 Fc1ccc(cc1F)CCSC2CCCCCC2 62a_100000690553_100011217769 [0,2,0,0,0,0|1,0,0]=3 13578 B19R2.150540 Fc1ccc(cc1F)CCSC2CCCCCC2 62a_100011217769_100000690553 [0,2,0,0,0,0|1,0,0]=3 13579 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 207a_100015204231_100000211062 [0,2,0,0,0,0|2,0,0]=4 13580 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 2230a_100000737897_200000696569 [0,2,0,0,0,0|2,0,0]=4 13581 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 2230a_100015204231_100000757363 [0,2,0,0,0,0|2,0,0]=4 13582 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 269862a_100000737897_200000763224 [0,2,0,0,0,0|2,0,0]=4 13583 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 270004a_100015204231_100000211062 [0,2,0,0,0,0|2,0,0]=4 13584 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 34a_100000737897_200000696569 [0,2,0,0,0,0|2,0,0]=4 13585 B19R2.150540 Fc1ccc(cc1F)CNCC2CCCCCC2 34a_100015204231_100000757363 [0,2,0,0,0,0|2,0,0]=4 13586 B19R2.150540 Fc1ccc(cc1F)COCC2CCCCCC2 34a_100000699130_100000757363 [0,2,0,0,0,0|2,0,0]=4 13587 B19R2.150540 Fc1ccc(cc1F)COCC2CCCCCC2 34a_100011215442_200000696569 [0,2,0,0,0,0|2,0,0]=4 13588 B19R2.150540 Fc1ccc(cc1F)COCC2CCCCCC2 7a_100000699130_100000757363 [0,2,0,0,0,0|2,0,0]=4 13589 B19R2.150540 Fc1ccc(cc1F)COCC2CCCCCC2 7a_100011215442_200000696569 [0,2,0,0,0,0|2,0,0]=4 13590 B19R2.150540 Fc1ccc(cc1F)CSCC2CCCCCC2 62a_100000757363_200000696569 [0,2,0,0,0,0|2,0,0]=4 13591 B19R2.150540 Fc1ccc(cc1F)CSCC2CCCCCC2 62a_200000696569_100000757363 [0,2,0,0,0,0|2,0,0]=4 13592 B19R2.150540 Fc1ccc(cc1I)CNCC2CCCCCC2 207a_100015204231_100010188209 [0,2,0,0,0,0|2,0,0]=4 13593 B19R2.150540 Fc1ccc(cc1I)CNCC2CCCCCC2 2230a_100015204231_100010188208 [0,2,0,0,0,0|2,0,0]=4 13594 B19R2.150540 Fc1ccc(cc1I)CNCC2CCCCCC2 270004a_100015204231_100010188209 [0,2,0,0,0,0|2,0,0]=4 13595 B19R2.150540 Fc1ccc(cc1I)CNCC2CCCCCC2 34a_100015204231_100010188208 [0,2,0,0,0,0|2,0,0]=4 13596 B19R2.150540 Fc1ccc(cc1I)COCC2CCCCCC2 34a_100000049585_200000696569 [0,2,0,0,0,0|2,0,0]=4 13597 B19R2.150540 Fc1ccc(cc1I)COCC2CCCCCC2 34a_100000699130_100010188208 [0,2,0,0,0,0|2,0,0]=4 13598 B19R2.150540 Fc1ccc(cc1I)COCC2CCCCCC2 7a_100000049585_200000696569 [0,2,0,0,0,0|2,0,0]=4 13599 B19R2.150540 Fc1ccc(cc1I)COCC2CCCCCC2 7a_100000699130_100010188208 [0,2,0,0,0,0|2,0,0]=4 13600 B19R2.150540 Fc1ccc(cc1I)CSCC2CCCCCC2 62a_100010188208_200000696569 [0,2,0,0,0,0|2,0,0]=4 13601 B19R2.150540 Fc1ccc(cc1I)CSCC2CCCCCC2 62a_200000696569_100010188208 [0,2,0,0,0,0|2,0,0]=4 13602 B19R2.150540 Nc1cc(ccc1Br)COCC2CCCCCC2 34a_100012347568_200000696569 [0,2,0,0,0,0|2,0,0]=4 13603 B19R2.150540 Nc1cc(ccc1Cl)COCC2CCCCCC2 34a_106256033963_200000696569 [0,2,0,0,0,0|2,0,0]=4 13604 B19R2.150540 Nc1cc(ccc1F)COCC2CCCCCC2 34a_102125399562_200000696569 [0,2,0,0,0,0|2,0,0]=4 13605 B19R2.150540 Nc1ccc(cc1F)COCC2CCCCCC2 34a_100011217239_200000696569 [0,2,0,0,0,0|2,0,0]=4 13606 B19R2.150540 Oc1cc(ccc1Cl)CNCC2CCCCCC2 269862a_100020636435_200000763224 [0,2,0,0,0,0|2,0,0]=4 13607 B19R2.150540 Oc1cc(ccc1Cl)CNCC2CCCCCC2 34a_100020636435_200000696569 [0,2,0,0,0,0|2,0,0]=4 13608 B19R2.150540 Oc1cc(ccc1F)CNCC2CCCCCC2 269862a_100160469508_200000763224 [0,2,0,0,0,0|2,0,0]=4 13609 B19R2.150540 Oc1cc(ccc1F)CNCC2CCCCCC2 34a_100160469508_200000696569 [0,2,0,0,0,0|2,0,0]=4 13610 B19R2.150540 Oc1ccc(cc1F)CNCC2CCCCCC2 269862a_100000758358_200000763224 [0,2,0,0,0,0|2,0,0]=4 13611 B19R2.150540 Oc1ccc(cc1F)CNCC2CCCCCC2 34a_100000758358_200000696569 [0,2,0,0,0,0|2,0,0]=4 13612 B19R2.150540 Oc1ccc(cc1O)CCNC2CCCCCC2 34a_100000210387_100011217769 [0,2,0,0,0,0|0,0,0]=2 13613 B19R2.150540 Oc1ccc(cc1O)CCOC2CCCCCC2 7a_100000210887_200010393615 [0,2,0,0,0,0|1,0,0]=3 13614 B19R2.150540 Oc1ccc(cc1O)CCSC2CCCCCC2 62a_100011217769_200010393615 [0,2,0,0,0,0|1,0,0]=3 13615 B19R2.150540 Oc1ccc(cc1O)CNCC2CCCCCC2 34a_100000010075_200000696569 [0,2,0,0,0,0|2,0,0]=4 13616 B19R2.483846 CC(Cc1cccc(c1)Br)NC2CCCCCC2 270004a_100000210984_100000689217 [0,2,0,0,0,0|0,0,0]=2 13617 B19R2.483846 CC(Cc1cccc(c1)Cl)NC2CCCCCC2 270004a_100000210984_100000727212 [0,2,0,0,0,0|0,0,0]=2 13618 B19R2.483846 CC(Cc1cccc(c1)F)NC2CCCCCC2 270004a_100000210984_100000687711 [0,2,0,0,0,0|0,0,0]=2 13619 B19R2.483846 CN(Cc1cccc(c1)Br)CC2CCCCCC2 2230a_100000187585_200000696569 [0,2,0,0,0,0|2,0,0]=4 13620 B19R2.483846 CN(Cc1cccc(c1)Br)CC2CCCCCC2 269982a_100000187585_200000696569 [0,2,0,0,0,0|2,0,0]=4 13621 B19R2.483846 CN(Cc1cccc(c1)Cl)CC2CCCCCC2 2230a_100020629429_200000696569 [0,2,0,0,0,0|2,0,0]=4 13622 B19R2.483846 CN(Cc1cccc(c1)Cl)CC2CCCCCC2 269982a_100020629429_200000696569 [0,2,0,0,0,0|2,0,0]=4 13623 B19R2.483846 CN(Cc1cccc(c1)F)CC2CCCCCC2 2230a_100000184398_200000696569 [0,2,0,0,0,0|2,0,0]=4 13624 B19R2.483846 CN(Cc1cccc(c1)F)CC2CCCCCC2 269982a_100000184398_200000696569 [0,2,0,0,0,0|2,0,0]=4 13625 B19R2.483846 CN(Cc1cccc(c1)F)CC2CCCCCC2 34a_100000184398_200000696569 [0,2,0,0,0,0|2,0,0]=4 13626 B19R2.483846 CN(Cc1cccc(c1)O)CC2CCCCCC2 2230a_100000207540_200000696569 [0,2,0,0,0,0|2,0,0]=4 13627 B19R2.483846 CN(Cc1cccc(c1)O)CC2CCCCCC2 269982a_100000207540_200000696569 [0,2,0,0,0,0|2,0,0]=4 13628 B19R2.483846 Cc1cccc(c1)CC(=O)CC2CCCCCC2 1458a_100000685095_100000211840 [0,2,0,0,0,0|1,0,1]=4 13629 B19R2.483846 Cc1cccc(c1)CC(=O)CC2CCCCCC2 1458a_100011206899_200000696569 [0,2,0,0,0,0|1,0,1]=4 13630 B19R2.483846 Cc1cccc(c1)CC(=O)NC2CCCCCC2 11a_100000210984_100011206899 [0,2,0,0,0,0|0,0,1]=3 13631 B19R2.483846 Cc1cccc(c1)CC(=O)NC2CCCCCC2 1626a_100000210984_100011206899 [0,2,0,0,0,0|0,0,1]=3 13632 B19R2.483846 Cc1cccc(c1)CC(=O)NC2CCCCCC2 240690a_100000210984_100011206899 [0,2,0,0,0,0|0,0,1]=3 13633 B19R2.483846 Cc1cccc(c1)CC(=O)NC2CCCCCC2 527a_100000210984_100011206899 [0,2,0,0,0,0|0,0,1]=3 13634 B19R2.483846 Cc1cccc(c1)CN(C)CC2CCCCCC2 2230a_102495364743_200000696569 [0,2,0,0,0,0|2,0,0]=4 13635 B19R2.483846 Cc1cccc(c1)CN(C)CC2CCCCCC2 269982a_102495364743_200000696569 [0,2,0,0,0,0|2,0,0]=4 13636 B19R2.483846 Cc1cccc(c1)CN(C)CC2CCCCCC2 34a_102495364743_200000696569 [0,2,0,0,0,0|2,0,0]=4 13637 B19R2.483846 Cc1cccc(c1)NC(=O)NC2CCCCCC2 2430a_100000188690_100000210984 [0,2,0,0,0,0|1,0,1]=4 13638 B19R2.483846 Cc1cccc(c1)NC(=O)NC2CCCCCC2 512a_100000188690_100000210984 [0,2,0,0,0,0|1,0,1]=4 13639 B19R2.483846 Cc1cccc(n1)CC(=O)NC2CCCCCC2 11a_100000210984_100012001110 [0,2,0,0,0,0|1,0,1]=4 13640 B19R2.483846 Cc1cccc(n1)CC(=O)NC2CCCCCC2 1626a_100000210984_100012001110 [0,2,0,0,0,0|1,0,1]=4 13641 B19R2.483846 Cc1cccc(n1)CC(=O)NC2CCCCCC2 240690a_100000210984_100012001110 [0,2,0,0,0,0|1,0,1]=4 13642 B19R2.483846 Cc1cccc(n1)CC(=O)NC2CCCCCC2 527a_100000210984_100012001110 [0,2,0,0,0,0|1,0,1]=4 13643 B19R2.483846 Cc1cccc(n1)CC(C)OC2CCCCCC2 34a_200015421231_100011217769 [0,2,0,0,0,0|2,0,0]=4 13644 B19R2.483846 Cc1ccnc(c1)CC(C)NC2CCCCCC2 270004a_100000210984_200015184229 [0,2,0,0,0,0|1,0,0]=3 13645 B19R2.483846 O=C(Cc1cccc(c1)Br)CC2CCCCCC2 1458a_100000685095_100000211773 [0,2,0,0,0,0|1,0,1]=4 13646 B19R2.483846 O=C(Cc1cccc(c1)Br)CC2CCCCCC2 1458a_100000747190_200000696569 [0,2,0,0,0,0|1,0,1]=4 13647 B19R2.483846 O=C(Cc1cccc(c1)Br)NC2CCCCCC2 11a_100000210984_100000747190 [0,2,0,0,0,0|0,0,1]=3 13648 B19R2.483846 O=C(Cc1cccc(c1)Br)NC2CCCCCC2 240690a_100000210984_100000747190 [0,2,0,0,0,0|0,0,1]=3 13649 B19R2.483846 O=C(Cc1cccc(c1)Br)NC2CCCCCC2 527a_100000210984_100000747190 [0,2,0,0,0,0|0,0,1]=3 13650 B19R2.483846 O=C(Cc1cccc(c1)Cl)CC2CCCCCC2 1458a_100000685095_100000181238 [0,2,0,0,0,0|1,0,1]=4 13651 B19R2.483846 O=C(Cc1cccc(c1)Cl)CC2CCCCCC2 1458a_100000749307_200000696569 [0,2,0,0,0,0|1,0,1]=4 13652 B19R2.483846 O=C(Cc1cccc(c1)Cl)NC2CCCCCC2 11a_100000210984_100000749307 [0,2,0,0,0,0|0,0,1]=3 13653 B19R2.483846 O=C(Cc1cccc(c1)Cl)NC2CCCCCC2 1626a_100000210984_100000749307 [0,2,0,0,0,0|0,0,1]=3 13654 B19R2.483846 O=C(Cc1cccc(c1)Cl)NC2CCCCCC2 240690a_100000210984_100000749307 [0,2,0,0,0,0|0,0,1]=3 13655 B19R2.483846 O=C(Cc1cccc(c1)Cl)NC2CCCCCC2 527a_100000210984_100000749307 [0,2,0,0,0,0|0,0,1]=3 13656 B19R2.483846 O=C(Cc1cccc(c1)F)CC2CCCCCC2 1458a_100000211661_200000696569 [0,2,0,0,0,0|1,0,1]=4 13657 B19R2.483846 O=C(Cc1cccc(c1)F)CC2CCCCCC2 1458a_100000685095_100000230114 [0,2,0,0,0,0|1,0,1]=4 13658 B19R2.483846 O=C(Cc1cccc(c1)F)NC2CCCCCC2 11a_100000210984_100000211661 [0,2,0,0,0,0|0,0,1]=3 13659 B19R2.483846 O=C(Cc1cccc(c1)F)NC2CCCCCC2 1626a_100000210984_100000211661 [0,2,0,0,0,0|0,0,1]=3 13660 B19R2.483846 O=C(Cc1cccc(c1)F)NC2CCCCCC2 240690a_100000210984_100000211661 [0,2,0,0,0,0|0,0,1]=3 13661 B19R2.483846 O=C(Cc1cccc(c1)F)NC2CCCCCC2 527a_100000210984_100000211661 [0,2,0,0,0,0|0,0,1]=3 13662 B19R2.483846 O=C(Cc1cccc(c1)I)CC2CCCCCC2 1458a_100000238430_200000696569 [0,2,0,0,0,0|1,0,1]=4 13663 B19R2.483846 O=C(Cc1cccc(c1)I)CC2CCCCCC2 1458a_100000685095_100011218688 [0,2,0,0,0,0|1,0,1]=4 13664 B19R2.483846 O=C(Cc1cccc(c1)I)NC2CCCCCC2 11a_100000210984_100000238430 [0,2,0,0,0,0|0,0,1]=3 13665 B19R2.483846 O=C(Cc1cccc(c1)I)NC2CCCCCC2 1626a_100000210984_100000238430 [0,2,0,0,0,0|0,0,1]=3 13666 B19R2.483846 O=C(Cc1cccc(c1)I)NC2CCCCCC2 240690a_100000210984_100000238430 [0,2,0,0,0,0|0,0,1]=3 13667 B19R2.483846 O=C(Cc1cccc(c1)I)NC2CCCCCC2 527a_100000210984_100000238430 [0,2,0,0,0,0|0,0,1]=3 13668 B19R2.483846 O=C(Cc1cccc(c1)O)CC2CCCCCC2 1458a_100000685095_100011660834 [0,2,0,0,0,0|1,0,1]=4 13669 B19R2.483846 O=C(Cc1cccc(c1)O)CC2CCCCCC2 1458a_100000745134_200000696569 [0,2,0,0,0,0|1,0,1]=4 13670 B19R2.483846 O=C(Cc1cccc(c1)O)NC2CCCCCC2 240690a_100000210984_100000745134 [0,2,0,0,0,0|0,0,1]=3 13671 B19R2.483846 O=C(Cc1cccc(c1)O)NC2CCCCCC2 527a_100000210984_100000745134 [0,2,0,0,0,0|0,0,1]=3 13672 B19R2.483846 O=C(Cc1cccc(n1)Br)NC2CCCCCC2 11a_100000210984_100010201708 [0,2,0,0,0,0|1,0,1]=4 13673 B19R2.483846 O=C(Cc1cccc(n1)Br)NC2CCCCCC2 240690a_100000210984_100010201708 [0,2,0,0,0,0|1,0,1]=4 13674 B19R2.483846 O=C(Cc1cccc(n1)Br)NC2CCCCCC2 527a_100000210984_100010201708 [0,2,0,0,0,0|1,0,1]=4 13675 B19R2.483846 O=C(Cc1cccc(n1)Cl)NC2CCCCCC2 11a_100000210984_100000090259 [0,2,0,0,0,0|1,0,1]=4 13676 B19R2.483846 O=C(Cc1cccc(n1)Cl)NC2CCCCCC2 1626a_100000210984_100000090259 [0,2,0,0,0,0|1,0,1]=4 13677 B19R2.483846 O=C(Cc1cccc(n1)Cl)NC2CCCCCC2 240690a_100000210984_100000090259 [0,2,0,0,0,0|1,0,1]=4 13678 B19R2.483846 O=C(Cc1cccc(n1)F)NC2CCCCCC2 11a_100000210984_100000096803 [0,2,0,0,0,0|1,0,1]=4 13679 B19R2.483846 O=C(Cc1cccc(n1)F)NC2CCCCCC2 1626a_100000210984_100000096803 [0,2,0,0,0,0|1,0,1]=4 13680 B19R2.483846 O=C(Cc1cccc(n1)F)NC2CCCCCC2 240690a_100000210984_100000096803 [0,2,0,0,0,0|1,0,1]=4 13681 B19R2.483846 O=C(Cc1ccnc(c1)Br)NC2CCCCCC2 11a_100000210984_100010126891 [0,2,0,0,0,0|1,0,1]=4 13682 B19R2.483846 O=C(Cc1ccnc(c1)Br)NC2CCCCCC2 240690a_100000210984_100010126891 [0,2,0,0,0,0|1,0,1]=4 13683 B19R2.483846 O=C(Cc1ccnc(c1)Br)NC2CCCCCC2 527a_100000210984_100010126891 [0,2,0,0,0,0|1,0,1]=4 13684 B19R2.483846 O=C(Cc1ccnc(c1)Cl)NC2CCCCCC2 11a_100000210984_100000085289 [0,2,0,0,0,0|1,0,1]=4 13685 B19R2.483846 O=C(Cc1ccnc(c1)Cl)NC2CCCCCC2 1626a_100000210984_100000085289 [0,2,0,0,0,0|1,0,1]=4 13686 B19R2.483846 O=C(Cc1ccnc(c1)Cl)NC2CCCCCC2 240690a_100000210984_100000085289 [0,2,0,0,0,0|1,0,1]=4 13687 B19R2.483846 O=C(Cc1ccnc(c1)Cl)NC2CCCCCC2 527a_100000210984_100000085289 [0,2,0,0,0,0|1,0,1]=4 13688 B19R2.483846 O=C(Cc1cncc(c1)Br)NC2CCCCCC2 11a_100000210984_100000239331 [0,2,0,0,0,0|1,0,1]=4 13689 B19R2.483846 O=C(Cc1cncc(c1)Br)NC2CCCCCC2 240690a_100000210984_100000239331 [0,2,0,0,0,0|1,0,1]=4 13690 B19R2.483846 O=C(Cc1cncc(c1)Br)NC2CCCCCC2 527a_100000210984_100000239331 [0,2,0,0,0,0|1,0,1]=4 13691 B19R2.483846 O=C(Cc1cncc(c1)F)NC2CCCCCC2 11a_100000210984_100011667516 [0,2,0,0,0,0|1,0,1]=4 13692 B19R2.483846 O=C(Cc1cncc(c1)F)NC2CCCCCC2 240690a_100000210984_100011667516 [0,2,0,0,0,0|1,0,1]=4 13693 B19R2.483846 O=C(Cc1cncc(c1)F)NC2CCCCCC2 527a_100000210984_100011667516 [0,2,0,0,0,0|1,0,1]=4 13694 B19R2.483846 O=C(Nc1cccc(c1)Br)NC2CCCCCC2 2430a_100000210019_100000210984 [0,2,0,0,0,0|1,0,1]=4 13695 B19R2.483846 O=C(Nc1cccc(c1)Br)NC2CCCCCC2 512a_100000210019_100000210984 [0,2,0,0,0,0|1,0,1]=4 13696 B19R2.483846 O=C(Nc1cccc(c1)Cl)NC2CCCCCC2 2430a_100000185859_100000210984 [0,2,0,0,0,0|1,0,1]=4 13697 B19R2.483846 O=C(Nc1cccc(c1)F)NC2CCCCCC2 2430a_100000210047_100000210984 [0,2,0,0,0,0|1,0,1]=4 13698 B19R2.483846 O=C(Nc1cccc(c1)F)NC2CCCCCC2 512a_100000210047_100000210984 [0,2,0,0,0,0|1,0,1]=4 13699 B19R2.483846 O=C(Nc1cccc(c1)I)NC2CCCCCC2 2430a_100000211102_100000210984 [0,2,0,0,0,0|1,0,1]=4 13700 B19R2.483846 O=C(Nc1cccc(c1)I)NC2CCCCCC2 512a_100000211102_100000210984 [0,2,0,0,0,0|1,0,1]=4 13701 B19R2.483846 O=C(Nc1cccc(c1)O)NC2CCCCCC2 2430a_100000210217_100000210984 [0,2,0,0,0,0|1,0,1]=4 13702 B19R2.483846 O=C(Nc1cccc(c1)O)NC2CCCCCC2 512a_100000210217_100000210984 [0,2,0,0,0,0|1,0,1]=4 13703 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Br 2230a_100020642005_200000696569 [0,2,0,0,0,0|2,0,0]=4 13704 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Br 269862a_100015204231_100000210093 [0,2,0,0,0,0|2,0,0]=4 13705 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Br 269862a_100020642005_200000763224 [0,2,0,0,0,0|2,0,0]=4 13706 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Cl 2230a_100102723534_200000696569 [0,2,0,0,0,0|2,0,0]=4 13707 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Cl 269862a_100015204231_200000210964 [0,2,0,0,0,0|2,0,0]=4 13708 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Cl 269862a_100102723534_200000763224 [0,2,0,0,0,0|2,0,0]=4 13709 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)Cl 34a_100102723534_200000696569 [0,2,0,0,0,0|2,0,0]=4 13710 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)F 269862a_100015204231_100000187083 [0,2,0,0,0,0|2,0,0]=4 13711 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)I 269862a_100015204231_100011356966 [0,2,0,0,0,0|2,0,0]=4 13712 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)O 2230a_100000740644_200000696569 [0,2,0,0,0,0|2,0,0]=4 13713 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)O 269862a_100000740644_200000763224 [0,2,0,0,0,0|2,0,0]=4 13714 B19R2.484029 CC(NCC1CCCCCC1)c2cccc(c2)O 269862a_100015204231_100000211620 [0,2,0,0,0,0|2,0,0]=4 13715 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)Br 34a_100000246457_200000696569 [0,2,0,0,0,0|2,0,0]=4 13716 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)Br 7a_100000246457_200000696569 [0,2,0,0,0,0|2,0,0]=4 13717 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)F 34a_100000744526_200000696569 [0,2,0,0,0,0|2,0,0]=4 13718 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)F 7a_100000744526_200000696569 [0,2,0,0,0,0|2,0,0]=4 13719 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)I 34a_100013085317_200000696569 [0,2,0,0,0,0|2,0,0]=4 13720 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)I 7a_100013085317_200000696569 [0,2,0,0,0,0|2,0,0]=4 13721 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)N 34a_100011217120_200000696569 [0,2,0,0,0,0|2,0,0]=4 13722 B19R2.484029 CC(OCC1CCCCCC1)c2cccc(c2)N 7a_100011217120_200000696569 [0,2,0,0,0,0|2,0,0]=4 13723 B19R2.484029 C[C@@H](NCC1CCCCCC1)c2cccc(c2)F 2230a_100015193778_200000696569 [0,2,0,0,0,0|2,0,0]=4 13724 B19R2.484029 C[C@@H](NCC1CCCCCC1)c2cccc(c2)F 269862a_100015193778_200000763224 [0,2,0,0,0,0|2,0,0]=4 13725 B19R2.484029 C[C@@H](NCC1CCCCCC1)c2cccc(c2)F 34a_100015193778_200000696569 [0,2,0,0,0,0|2,0,0]=4 13726 B19R2.484029 C[C@@H](OCC1CCCCCC1)c2cccc(c2)Cl 34a_100000747380_200000696569 [0,2,0,0,0,0|2,0,0]=4 13727 B19R2.484029 C[C@@H](OCC1CCCCCC1)c2cccc(c2)Cl 7a_100000747380_200000696569 [0,2,0,0,0,0|2,0,0]=4 13728 B19R2.484029 Cc1cccc(c1)C(=O)CNC2CCCCCC2 2230a_100000210984_100000739480 [0,2,0,0,0,0|0,0,1]=3 13729 B19R2.484029 Cc1cccc(c1)C(=O)CNC2CCCCCC2 34a_100000210984_100000739480 [0,2,0,0,0,0|0,0,1]=3 13730 B19R2.484029 Cc1cccc(c1)C(=O)COC2CCCCCC2 34a_100000210887_100000739480 [0,2,0,0,0,0|1,0,1]=4 13731 B19R2.484029 Cc1cccc(c1)C(=O)COC2CCCCCC2 7a_100000210887_100000739480 [0,2,0,0,0,0|1,0,1]=4 13732 B19R2.484029 Cc1cccc(c1)C(=O)CSC2CCCCCC2 62a_100000739480_100011217769 [0,2,0,0,0,0|1,0,1]=4 13733 B19R2.484029 Cc1cccc(c1)C(=O)CSC2CCCCCC2 62a_100011217769_100000739480 [0,2,0,0,0,0|1,0,1]=4 13734 B19R2.484029 Cc1cccc(c1)C(C)NCC2CCCCCC2 269862a_100015204231_100000211476 [0,2,0,0,0,0|2,0,0]=4 13735 B19R2.484029 Cc1cccc(c1)C(C)OCC2CCCCCC2 34a_100000757818_200000696569 [0,2,0,0,0,0|2,0,0]=4 13736 B19R2.484029 Cc1cccc(c1)C(C)OCC2CCCCCC2 7a_100000757818_200000696569 [0,2,0,0,0,0|2,0,0]=4 13737 B19R2.484029 Cc1cccc(c1)[C@@H](C)NCC2CCCCCC2 2230a_100000698126_200000696569 [0,2,0,0,0,0|2,0,0]=4 13738 B19R2.484029 Cc1cccc(c1)[C@@H](C)NCC2CCCCCC2 269862a_100000698126_200000763224 [0,2,0,0,0,0|2,0,0]=4 13739 B19R2.484029 Cc1cccc(c1)[C@@H](C)NCC2CCCCCC2 34a_100000698126_200000696569 [0,2,0,0,0,0|2,0,0]=4 13740 B19R2.484029 Cc1cccc(c1)[C@H](N)COC2CCCCCC2 34a_100009818812_100011217769 [0,2,0,0,0,0|1,0,0]=3 13741 B19R2.484029 NC(COC1CCCCCC1)c2cccc(c2)Br 34a_100000690078_100011217769 [0,2,0,0,0,0|1,0,0]=3 13742 B19R2.484029 NC(COC1CCCCCC1)c2cccc(n2)F 34a_200020642391_100011217769 [0,2,0,0,0,0|2,0,0]=4 13743 B19R2.484029 N[C@@H](COC1CCCCCC1)c2cccc(c2)Cl 34a_100032004910_100011217769 [0,2,0,0,0,0|1,0,0]=3 13744 B19R2.484029 N[C@H](COC1CCCCCC1)c2cccc(c2)F 34a_100020641251_100011217769 [0,2,0,0,0,0|1,0,0]=3 13745 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)Br 2230a_100000210984_100000212080 [0,2,0,0,0,0|0,0,1]=3 13746 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)Br 34a_100000210984_100000212080 [0,2,0,0,0,0|0,0,1]=3 13747 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)Cl 2230a_100000210984_100000211444 [0,2,0,0,0,0|0,0,1]=3 13748 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)Cl 34a_100000210984_100000211444 [0,2,0,0,0,0|0,0,1]=3 13749 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)F 2230a_100000210984_100000215616 [0,2,0,0,0,0|0,0,1]=3 13750 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)F 34a_100000210984_100000215616 [0,2,0,0,0,0|0,0,1]=3 13751 B19R2.484029 O=C(CNC1CCCCCC1)c2cccc(c2)O 34a_100000210984_100009813753 [0,2,0,0,0,0|0,0,1]=3 13752 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)Br 34a_100000210887_100000212080 [0,2,0,0,0,0|1,0,1]=4 13753 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)Br 7a_100000210887_100000212080 [0,2,0,0,0,0|1,0,1]=4 13754 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)Cl 34a_100000210887_100000211444 [0,2,0,0,0,0|1,0,1]=4 13755 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)Cl 7a_100000210887_100000211444 [0,2,0,0,0,0|1,0,1]=4 13756 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)F 34a_100000210887_100000215616 [0,2,0,0,0,0|1,0,1]=4 13757 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)F 34a_100011592800_100011217769 [0,2,0,0,0,0|1,0,1]=4 13758 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)O 34a_100000210887_100009813753 [0,2,0,0,0,0|1,0,1]=4 13759 B19R2.484029 O=C(COC1CCCCCC1)c2cccc(c2)O 7a_100000210887_100009813753 [0,2,0,0,0,0|1,0,1]=4 13760 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)Br 62a_100000212080_100011217769 [0,2,0,0,0,0|1,0,1]=4 13761 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)Br 62a_100011217769_100000212080 [0,2,0,0,0,0|1,0,1]=4 13762 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)Cl 62a_100000211444_100011217769 [0,2,0,0,0,0|1,0,1]=4 13763 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)Cl 62a_100011217769_100000211444 [0,2,0,0,0,0|1,0,1]=4 13764 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)F 62a_100000215616_100011217769 [0,2,0,0,0,0|1,0,1]=4 13765 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)F 62a_100011217769_100000215616 [0,2,0,0,0,0|1,0,1]=4 13766 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)O 62a_100009813753_100011217769 [0,2,0,0,0,0|1,0,1]=4 13767 B19R2.484029 O=C(CSC1CCCCCC1)c2cccc(c2)O 62a_100011217769_100009813753 [0,2,0,0,0,0|1,0,1]=4 13768 B19R2.484029 Oc1cccc(c1)C(O)CNC2CCCCCC2 270004a_100020657549_100000210131 [0,2,0,0,0,0|0,0,0]=2 13769 B19R2.484029 Oc1cccc(c1)C(O)CNC2CCCCCC2 34a_100020657549_100011217769 [0,2,0,0,0,0|0,0,0]=2 13770 B19R2.484029 Oc1cccc(c1)C(O)CNC2CCCNCC2 270004a_100020657549_100015187895 [0,2,0,0,0,0|1,0,0]=3 13771 B19R2.484029 Oc1cccc(c1)C(O)CNC2CSCCSC2 270004a_100020657549_100000068409 [0,2,0,0,0,0|2,0,0]=4 13772 B19R2.955196 CC(CCc1cccc(c1)Br)N2CCCCCC2 270004a_100000185865_100011279149 [0,2,0,0,0,0|2,0,0]=4 13773 B19R2.955196 CC(CCc1cccc(c1)F)N2CCCCCC2 270004a_100000185865_100000743863 [0,2,0,0,0,0|2,0,0]=4 13774 B19R2.955196 CN(CCc1cccc(c1)Br)C2CCCCCC2 2230a_100015185097_100011740638 [0,2,0,0,0,0|0,0,0]=2 13775 B19R2.955196 CN(CCc1cccc(c1)Br)C2CCCCCC2 269982a_100015185097_100011740638 [0,2,0,0,0,0|0,0,0]=2 13776 B19R2.955196 CN(CCc1cccc(c1)Br)C2CCCCCC2 34a_100015185097_100011740638 [0,2,0,0,0,0|0,0,0]=2 13777 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCCCC2 2230a_100015185097_100011713710 [0,2,0,0,0,0|0,0,0]=2 13778 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCCCC2 269982a_100015185097_100011713710 [0,2,0,0,0,0|0,0,0]=2 13779 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCCCC2 269982a_106726388433_100011217769 [0,2,0,0,0,0|0,0,0]=2 13780 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCCCC2 270004a_106726388433_100000210131 [0,2,0,0,0,0|0,0,0]=2 13781 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCCCC2 34a_100015185097_100011713710 [0,2,0,0,0,0|0,0,0]=2 13782 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCCCC2 34a_106726388433_100011217769 [0,2,0,0,0,0|0,0,0]=2 13783 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CCCNCC2 270004a_106726388433_100015187895 [0,2,0,0,0,0|1,0,0]=3 13784 B19R2.955196 CN(CCc1cccc(c1)Cl)C2CSCCSC2 270004a_106726388433_100000068409 [0,2,0,0,0,0|2,0,0]=4 13785 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCCCC2 2230a_100015185097_100011217235 [0,2,0,0,0,0|0,0,0]=2 13786 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCCCC2 269982a_100015185097_100011217235 [0,2,0,0,0,0|0,0,0]=2 13787 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCCCC2 269982a_106726388868_100011217769 [0,2,0,0,0,0|0,0,0]=2 13788 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCCCC2 270004a_106726388868_100000210131 [0,2,0,0,0,0|0,0,0]=2 13789 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCCCC2 34a_100015185097_100011217235 [0,2,0,0,0,0|0,0,0]=2 13790 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCCCC2 34a_106726388868_100011217769 [0,2,0,0,0,0|0,0,0]=2 13791 B19R2.955196 CN(CCc1cccc(c1)F)C2CCCNCC2 270004a_106726388868_100015187895 [0,2,0,0,0,0|1,0,0]=3 13792 B19R2.955196 CN(CCc1cccc(c1)F)C2CSCCSC2 270004a_106726388868_100000068409 [0,2,0,0,0,0|2,0,0]=4 13793 B19R2.955196 Cc1cccc(c1)CCC(=O)C2CCCCCC2 1458a_100000234952_100011217769 [0,2,0,0,0,0|1,0,0]=3 13794 B19R2.955196 Cc1cccc(c1)CCC(=O)C2CCCCCC2 1458a_100000749507_100011713685 [0,2,0,0,0,0|1,0,0]=3 13795 B19R2.955196 Cc1cccc(c1)CCC(=O)N2CCCCCC2 11a_100000185865_100000234952 [0,2,0,0,0,0|2,0,0]=4 13796 B19R2.955196 Cc1cccc(c1)CCC(=O)N2CCCCCC2 1626a_100000185865_100000234952 [0,2,0,0,0,0|2,0,0]=4 13797 B19R2.955196 Cc1cccc(c1)CCC(=O)N2CCCCCC2 240690a_100000185865_100000234952 [0,2,0,0,0,0|2,0,0]=4 13798 B19R2.955196 Cc1cccc(c1)CCC(=O)N2CCCCCC2 527a_100000185865_100000234952 [0,2,0,0,0,0|2,0,0]=4 13799 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCCCC2 2230a_100015185097_100011713685 [0,2,0,0,0,0|0,0,0]=2 13800 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCCCC2 269982a_100015185097_100011713685 [0,2,0,0,0,0|0,0,0]=2 13801 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCCCC2 269982a_114849113767_100011217769 [0,2,0,0,0,0|0,0,0]=2 13802 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCCCC2 270004a_114849113767_100000210131 [0,2,0,0,0,0|0,0,0]=2 13803 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCCCC2 34a_100015185097_100011713685 [0,2,0,0,0,0|0,0,0]=2 13804 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCCCC2 34a_114849113767_100011217769 [0,2,0,0,0,0|0,0,0]=2 13805 B19R2.955196 Cc1cccc(c1)CCN(C)C2CCCNCC2 270004a_114849113767_100015187895 [0,2,0,0,0,0|1,0,0]=3 13806 B19R2.955196 Cc1cccc(c1)CCN(C)C2CSCCSC2 270004a_114849113767_100000068409 [0,2,0,0,0,0|2,0,0]=4 13807 B19R2.955196 Cc1cccc(c1)CNC(=O)C2CCCCCC2 11a_100000185548_100000749507 [0,2,0,0,0,0|2,0,0]=4 13808 B19R2.955196 Cc1cccc(c1)CNC(=O)C2CCCCCC2 1626a_100000185548_100000749507 [0,2,0,0,0,0|2,0,0]=4 13809 B19R2.955196 Cc1cccc(c1)CNC(=O)C2CCCCCC2 240690a_100000185548_100000749507 [0,2,0,0,0,0|2,0,0]=4 13810 B19R2.955196 Cc1cccc(c1)CNC(=O)C2CCCCCC2 527a_100000185548_100000749507 [0,2,0,0,0,0|2,0,0]=4 13811 B19R2.955196 Cc1cccc(c1)OCC(=O)C2CCCCCC2 1458a_100000183606_100011217769 [0,2,0,0,0,0|2,0,0]=4 13812 B19R2.955196 O=C(CCc1cccc(c1)Br)C2CCCCCC2 1458a_100000184314_100011217769 [0,2,0,0,0,0|1,0,0]=3 13813 B19R2.955196 O=C(CCc1cccc(c1)Br)C2CCCCCC2 1458a_100000749507_100011740638 [0,2,0,0,0,0|1,0,0]=3 13814 B19R2.955196 O=C(CCc1cccc(c1)Br)N2CCCCCC2 11a_100000185865_100000184314 [0,2,0,0,0,0|2,0,0]=4 13815 B19R2.955196 O=C(CCc1cccc(c1)Br)N2CCCCCC2 1626a_100000185865_100000184314 [0,2,0,0,0,0|2,0,0]=4 13816 B19R2.955196 O=C(CCc1cccc(c1)Br)N2CCCCCC2 240690a_100000185865_100000184314 [0,2,0,0,0,0|2,0,0]=4 13817 B19R2.955196 O=C(CCc1cccc(c1)Br)N2CCCCCC2 527a_100000185865_100000184314 [0,2,0,0,0,0|2,0,0]=4 13818 B19R2.955196 O=C(CCc1cccc(c1)Cl)C2CCCCCC2 1458a_100000235675_100011217769 [0,2,0,0,0,0|1,0,0]=3 13819 B19R2.955196 O=C(CCc1cccc(c1)Cl)C2CCCCCC2 1458a_100000749507_100011713710 [0,2,0,0,0,0|1,0,0]=3 13820 B19R2.955196 O=C(CCc1cccc(c1)Cl)N2CCCCCC2 11a_100000185865_100000235675 [0,2,0,0,0,0|2,0,0]=4 13821 B19R2.955196 O=C(CCc1cccc(c1)Cl)N2CCCCCC2 1626a_100000185865_100000235675 [0,2,0,0,0,0|2,0,0]=4 13822 B19R2.955196 O=C(CCc1cccc(c1)Cl)N2CCCCCC2 240690a_100000185865_100000235675 [0,2,0,0,0,0|2,0,0]=4 13823 B19R2.955196 O=C(CCc1cccc(c1)Cl)N2CCCCCC2 527a_100000185865_100000235675 [0,2,0,0,0,0|2,0,0]=4 13824 B19R2.955196 O=C(CCc1cccc(c1)F)C2CCCCCC2 1458a_100000235673_100011217769 [0,2,0,0,0,0|1,0,0]=3 13825 B19R2.955196 O=C(CCc1cccc(c1)F)C2CCCCCC2 1458a_100000749507_100011217235 [0,2,0,0,0,0|1,0,0]=3 13826 B19R2.955196 O=C(CCc1cccc(c1)F)N2CCCCCC2 11a_100000185865_100000235673 [0,2,0,0,0,0|2,0,0]=4 13827 B19R2.955196 O=C(CCc1cccc(c1)F)N2CCCCCC2 1626a_100000185865_100000235673 [0,2,0,0,0,0|2,0,0]=4 13828 B19R2.955196 O=C(CCc1cccc(c1)F)N2CCCCCC2 240690a_100000185865_100000235673 [0,2,0,0,0,0|2,0,0]=4 13829 B19R2.955196 O=C(CCc1cccc(c1)F)N2CCCCCC2 527a_100000185865_100000235673 [0,2,0,0,0,0|2,0,0]=4 13830 B19R2.955196 O=C(CCc1cccc(c1)I)C2CCCCCC2 1458a_100010007846_100011217769 [0,2,0,0,0,0|1,0,0]=3 13831 B19R2.955196 O=C(CCc1cccc(c1)I)N2CCCCCC2 11a_100000185865_100010007846 [0,2,0,0,0,0|2,0,0]=4 13832 B19R2.955196 O=C(CCc1cccc(c1)I)N2CCCCCC2 1626a_100000185865_100010007846 [0,2,0,0,0,0|2,0,0]=4 13833 B19R2.955196 O=C(CCc1cccc(c1)I)N2CCCCCC2 240690a_100000185865_100010007846 [0,2,0,0,0,0|2,0,0]=4 13834 B19R2.955196 O=C(CCc1cccc(c1)I)N2CCCCCC2 527a_100000185865_100010007846 [0,2,0,0,0,0|2,0,0]=4 13835 B19R2.955196 O=C(CCc1cccc(c1)O)C2CCCCCC2 1458a_100011216126_100011217769 [0,2,0,0,0,0|1,0,0]=3 13836 B19R2.955196 O=C(CCc1cccc(c1)O)N2CCCCCC2 240690a_100000185865_100011216126 [0,2,0,0,0,0|2,0,0]=4 13837 B19R2.955196 O=C(CCc1cccc(c1)O)N2CCCCCC2 527a_100000185865_100011216126 [0,2,0,0,0,0|2,0,0]=4 13838 B19R2.955196 O=C(COc1cccc(c1)Br)C2CCCCCC2 1458a_100000182359_100011217769 [0,2,0,0,0,0|2,0,0]=4 13839 B19R2.955196 O=C(COc1cccc(c1)Cl)C2CCCCCC2 1458a_100000184978_100011217769 [0,2,0,0,0,0|2,0,0]=4 13840 B19R2.955196 O=C(COc1cccc(c1)F)C2CCCCCC2 1458a_100000182781_100011217769 [0,2,0,0,0,0|2,0,0]=4 13841 B19R2.955196 O=C(CSc1cccc(c1)Br)C2CCCCCC2 1458a_100000760868_100011217769 [0,2,0,0,0,0|2,0,0]=4 13842 B19R2.955196 O=C(NCc1cccc(c1)Br)C2CCCCCC2 11a_100000174977_100000749507 [0,2,0,0,0,0|2,0,0]=4 13843 B19R2.955196 O=C(NCc1cccc(c1)Br)C2CCCCCC2 1626a_100000174977_100000749507 [0,2,0,0,0,0|2,0,0]=4 13844 B19R2.955196 O=C(NCc1cccc(c1)Br)C2CCCCCC2 240690a_100000174977_100000749507 [0,2,0,0,0,0|2,0,0]=4 13845 B19R2.955196 O=C(NCc1cccc(c1)Br)C2CCCCCC2 527a_100000174977_100000749507 [0,2,0,0,0,0|2,0,0]=4 13846 B19R2.955196 O=C(NCc1cccc(c1)Cl)C2CCCCCC2 11a_100000174878_100000749507 [0,2,0,0,0,0|2,0,0]=4 13847 B19R2.955196 O=C(NCc1cccc(c1)Cl)C2CCCCCC2 1626a_100000174878_100000749507 [0,2,0,0,0,0|2,0,0]=4 13848 B19R2.955196 O=C(NCc1cccc(c1)Cl)C2CCCCCC2 240690a_100000174878_100000749507 [0,2,0,0,0,0|2,0,0]=4 13849 B19R2.955196 O=C(NCc1cccc(c1)Cl)C2CCCCCC2 527a_100000174878_100000749507 [0,2,0,0,0,0|2,0,0]=4 13850 B19R2.955196 O=C(NCc1cccc(c1)F)C2CCCCCC2 11a_100000174948_100000749507 [0,2,0,0,0,0|2,0,0]=4 13851 B19R2.955196 O=C(NCc1cccc(c1)F)C2CCCCCC2 1626a_100000174948_100000749507 [0,2,0,0,0,0|2,0,0]=4 13852 B19R2.955196 O=C(NCc1cccc(c1)F)C2CCCCCC2 240690a_100000174948_100000749507 [0,2,0,0,0,0|2,0,0]=4 13853 B19R2.955196 O=C(NCc1cccc(c1)F)C2CCCCCC2 527a_100000174948_100000749507 [0,2,0,0,0,0|2,0,0]=4 13854 B19R2.955196 O=C(NCc1cccc(c1)I)C2CCCCCC2 11a_100000106179_100000749507 [0,2,0,0,0,0|2,0,0]=4 13855 B19R2.955196 O=C(NCc1cccc(c1)I)C2CCCCCC2 1626a_100000106179_100000749507 [0,2,0,0,0,0|2,0,0]=4 13856 B19R2.955196 O=C(NCc1cccc(c1)I)C2CCCCCC2 240690a_100000106179_100000749507 [0,2,0,0,0,0|2,0,0]=4 13857 B19R2.955196 O=C(NCc1cccc(c1)I)C2CCCCCC2 527a_100000106179_100000749507 [0,2,0,0,0,0|2,0,0]=4 13858 B19R2.955196 O=C(NCc1cccc(c1)O)C2CCCCCC2 240690a_100000743036_100000749507 [0,2,0,0,0,0|2,0,0]=4 13859 B19R2.955196 O=C(NCc1cccc(c1)O)C2CCCCCC2 527a_100000743036_100000749507 [0,2,0,0,0,0|2,0,0]=4 13860 B19R2.957161 CC1(CCCCCC1)NCCc2cccc(c2)Br 2230a_100000704638_100011740638 [0,2,0,0,0,0|0,0,0]=2 13861 B19R2.957161 CC1(CCCCCC1)NCCc2cccc(c2)Br 34a_100000704638_100011740638 [0,2,0,0,0,0|0,0,0]=2 13862 B19R2.957161 CC1(CCCCCC1)NCCc2cccc(c2)Cl 2230a_100000704638_100011713710 [0,2,0,0,0,0|0,0,0]=2 13863 B19R2.957161 CC1(CCCCCC1)NCCc2cccc(c2)Cl 34a_100000704638_100011713710 [0,2,0,0,0,0|0,0,0]=2 13864 B19R2.957161 CC1(CCCCCC1)NCCc2cccc(c2)F 2230a_100000704638_100011217235 [0,2,0,0,0,0|0,0,0]=2 13865 B19R2.957161 CC1(CCCCCC1)NCCc2cccc(c2)F 34a_100000704638_100011217235 [0,2,0,0,0,0|0,0,0]=2 13866 B19R2.957161 CC1(CCCCCC1)OCCc2cccc(c2)Br 34a_100000708895_100011740638 [0,2,0,0,0,0|1,0,0]=3 13867 B19R2.957161 CC1(CCCCCC1)OCCc2cccc(c2)Br 7a_100000708895_100011740638 [0,2,0,0,0,0|1,0,0]=3 13868 B19R2.957161 CC1(CCCCCC1)OCCc2cccc(c2)Cl 34a_100000708895_100011713710 [0,2,0,0,0,0|1,0,0]=3 13869 B19R2.957161 CC1(CCCCCC1)OCCc2cccc(c2)Cl 7a_100000708895_100011713710 [0,2,0,0,0,0|1,0,0]=3 13870 B19R2.957161 CC1(CCCCCC1)OCCc2cccc(c2)F 34a_100000708895_100011217235 [0,2,0,0,0,0|1,0,0]=3 13871 B19R2.957161 CC1(CCCCCC1)OCCc2cccc(c2)F 7a_100000708895_100011217235 [0,2,0,0,0,0|1,0,0]=3 13872 B19R2.957161 CC1(CCCNCC1)OCCc2cccc(c2)Br 34a_100000723723_100011740638 [0,2,0,0,0,0|2,0,0]=4 13873 B19R2.957161 CC1(CCCNCC1)OCCc2cccc(c2)Cl 34a_100000723723_100011713710 [0,2,0,0,0,0|2,0,0]=4 13874 B19R2.957161 CC1(CCCNCC1)OCCc2cccc(c2)F 34a_100000723723_100011217235 [0,2,0,0,0,0|2,0,0]=4 13875 B19R2.957161 Cc1cccc(c1)CCNC2(CCCCCC2)C 2230a_100000704638_100011713685 [0,2,0,0,0,0|0,0,0]=2 13876 B19R2.957161 Cc1cccc(c1)CCNC2(CCCCCC2)C 34a_100000704638_100011713685 [0,2,0,0,0,0|0,0,0]=2 13877 B19R2.957161 Cc1cccc(c1)CCOC2(CCCCCC2)C 34a_100000708895_100011713685 [0,2,0,0,0,0|1,0,0]=3 13878 B19R2.957161 Cc1cccc(c1)CCOC2(CCCCCC2)C 7a_100000708895_100011713685 [0,2,0,0,0,0|1,0,0]=3 13879 B19R2.957161 Cc1cccc(c1)CCOC2(CCCNCC2)C 34a_100000723723_100011713685 [0,2,0,0,0,0|2,0,0]=4 13880 B19R2.48722 CC(CCc1ccccc1)N2CCCCC(C2)O 270004a_100025706797_100000210092 [0,2,0,0,0,0|2,0,0]=4 13881 B19R2.48722 O=C(CCc1ccccc1)N2CCCCC(C2)O 240690a_100025706797_100000185753 [0,2,0,0,0,0|2,0,0]=4 13882 B19R2.48728 CC(CCN1CCCCC(C1)O)c2ccccc2 270004a_100025706797_100000189432 [0,2,0,0,0,0|2,0,0]=4 13883 B19R2.48728 OC1CCCCN(C1)CC[C@@H](O)c2ccccc2 2230a_100025706797_100000729684 [0,2,0,0,0,0|2,0,0]=4 13884 B19R2.48728 OC1CCCCN(C1)CC[C@@H](O)c2ccccc2 269982a_100025706797_100000729684 [0,2,0,0,0,0|2,0,0]=4 13885 B19R2.48739 OC1CCCCN(C1)C[C@@H](O)Cc2ccccc2 2230a_100025706797_100000729385 [0,2,0,0,0,0|2,0,0]=4 13886 B19R2.48739 OC1CCCCN(C1)C[C@@H](O)Cc2ccccc2 269982a_100025706797_100000729385 [0,2,0,0,0,0|2,0,0]=4 13887 B19R2.152005 OC1CCCCN(C1)CCCc2ccc(cc2)Br 2230a_100025706797_100011713682 [0,2,0,0,0,0|2,0,0]=4 13888 B19R2.152005 OC1CCCCN(C1)CCCc2ccc(cc2)Br 269982a_100025706797_100011713682 [0,2,0,0,0,0|2,0,0]=4 13889 B19R2.152005 OC1CCCCN(C1)CCCc2ccc(cc2)Cl 2230a_100025706797_100000759440 [0,2,0,0,0,0|2,0,0]=4 13890 B19R2.152005 OC1CCCCN(C1)CCCc2ccc(cc2)Cl 269982a_100025706797_100000759440 [0,2,0,0,0,0|2,0,0]=4 13891 B19R2.152005 OC1CCCCN(C1)CCCc2ccc(cc2)F 2230a_100025706797_200011713563 [0,2,0,0,0,0|2,0,0]=4 13892 B19R2.152005 OC1CCCCN(C1)CCCc2ccc(cc2)F 269982a_100025706797_200011713563 [0,2,0,0,0,0|2,0,0]=4 13893 B19R2.489656 OC1CCCCN(C1)CCCc2ccccc2Br 2230a_100025706797_200011713681 [0,2,0,0,0,0|2,0,0]=4 13894 B19R2.489656 OC1CCCCN(C1)CCCc2ccccc2Br 269982a_100025706797_200011713681 [0,2,0,0,0,0|2,0,0]=4 13895 B19R2.62176 CC(CCc1ccccc1)N2CCCC(CC2)O 270004a_100015186869_100000210092 [0,2,0,0,0,0|2,0,0]=4 13896 B19R2.62176 CC1CCCN(CC1)C(=O)CCc2ccccc2 11a_100025706717_100000185753 [0,2,0,0,0,0|2,0,0]=4 13897 B19R2.62176 CC1CCCN(CC1)C(=O)CCc2ccccc2 1626a_100025706717_100000185753 [0,2,0,0,0,0|2,0,0]=4 13898 B19R2.62176 CC1CCCN(CC1)C(=O)CCc2ccccc2 240690a_100025706717_100000185753 [0,2,0,0,0,0|2,0,0]=4 13899 B19R2.62176 CC1CCCN(CC1)C(=O)CCc2ccccc2 527a_100025706717_100000185753 [0,2,0,0,0,0|2,0,0]=4 13900 B19R2.62176 CC1CCCN(CC1)C(C)CCc2ccccc2 270004a_100025706717_100000210092 [0,2,0,0,0,0|2,0,0]=4 13901 B19R2.62176 O=C(CCc1ccccc1)N2CCCC(CC2)O 240690a_100015186869_100000185753 [0,2,0,0,0,0|2,0,0]=4 13902 B19R2.62176 O=C(CCc1ccccc1)N2CCCC(CC2)O 527a_100015186869_100000185753 [0,2,0,0,0,0|2,0,0]=4 13903 B19R2.62180 CC(CCN1CCCC(CC1)O)c2ccccc2 270004a_100015186869_100000189432 [0,2,0,0,0,0|2,0,0]=4 13904 B19R2.62180 CC1CCCN(CC1)CCC(C)c2ccccc2 270004a_100025706717_100000189432 [0,2,0,0,0,0|2,0,0]=4 13905 B19R2.62180 CC1CCCN(CC1)CC[C@@H](O)c2ccccc2 2230a_100025706717_100000729684 [0,2,0,0,0,0|2,0,0]=4 13906 B19R2.62180 CC1CCCN(CC1)CC[C@@H](O)c2ccccc2 269982a_100025706717_100000729684 [0,2,0,0,0,0|2,0,0]=4 13907 B19R2.62180 CC1CCCN(CC1)CC[C@@H](O)c2ccccc2 34a_100025706717_100000729684 [0,2,0,0,0,0|2,0,0]=4 13908 B19R2.62180 OC1CCCN(CC1)CC[C@@H](O)c2ccccc2 2230a_100015186869_100000729684 [0,2,0,0,0,0|2,0,0]=4 13909 B19R2.62180 OC1CCCN(CC1)CC[C@@H](O)c2ccccc2 269982a_100015186869_100000729684 [0,2,0,0,0,0|2,0,0]=4 13910 B19R2.62189 CC1CCCN(CC1)C[C@@H](O)Cc2ccccc2 2230a_100025706717_100000729385 [0,2,0,0,0,0|2,0,0]=4 13911 B19R2.62189 CC1CCCN(CC1)C[C@@H](O)Cc2ccccc2 269982a_100025706717_100000729385 [0,2,0,0,0,0|2,0,0]=4 13912 B19R2.62189 CC1CCCN(CC1)C[C@@H](O)Cc2ccccc2 34a_100025706717_100000729385 [0,2,0,0,0,0|2,0,0]=4 13913 B19R2.62189 OC1CCCN(CC1)C[C@@H](O)Cc2ccccc2 2230a_100015186869_100000729385 [0,2,0,0,0,0|2,0,0]=4 13914 B19R2.62189 OC1CCCN(CC1)C[C@@H](O)Cc2ccccc2 269982a_100015186869_100000729385 [0,2,0,0,0,0|2,0,0]=4 13915 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)Br 2230a_100025706717_100011713682 [0,2,0,0,0,0|2,0,0]=4 13916 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)Br 269982a_100025706717_100011713682 [0,2,0,0,0,0|2,0,0]=4 13917 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)Br 34a_100025706717_100011713682 [0,2,0,0,0,0|2,0,0]=4 13918 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)Cl 2230a_100025706717_100000759440 [0,2,0,0,0,0|2,0,0]=4 13919 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)Cl 269982a_100025706717_100000759440 [0,2,0,0,0,0|2,0,0]=4 13920 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)Cl 34a_100025706717_100000759440 [0,2,0,0,0,0|2,0,0]=4 13921 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)F 2230a_100025706717_200011713563 [0,2,0,0,0,0|2,0,0]=4 13922 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)F 269982a_100025706717_200011713563 [0,2,0,0,0,0|2,0,0]=4 13923 B19R2.62195 CC1CCCN(CC1)CCCc2ccc(cc2)F 34a_100025706717_200011713563 [0,2,0,0,0,0|2,0,0]=4 13924 B19R2.62195 OC1CCCN(CC1)CCCc2ccc(cc2)Br 2230a_100015186869_100011713682 [0,2,0,0,0,0|2,0,0]=4 13925 B19R2.62195 OC1CCCN(CC1)CCCc2ccc(cc2)Br 269982a_100015186869_100011713682 [0,2,0,0,0,0|2,0,0]=4 13926 B19R2.62195 OC1CCCN(CC1)CCCc2ccc(cc2)Cl 2230a_100015186869_100000759440 [0,2,0,0,0,0|2,0,0]=4 13927 B19R2.62195 OC1CCCN(CC1)CCCc2ccc(cc2)Cl 269982a_100015186869_100000759440 [0,2,0,0,0,0|2,0,0]=4 13928 B19R2.62195 OC1CCCN(CC1)CCCc2ccc(cc2)F 2230a_100015186869_200011713563 [0,2,0,0,0,0|2,0,0]=4 13929 B19R2.62195 OC1CCCN(CC1)CCCc2ccc(cc2)F 269982a_100015186869_200011713563 [0,2,0,0,0,0|2,0,0]=4 13930 B19R2.176319 CCC1CCCN(CC1)CCCc2ccccc2 2230a_100000757272_100000211621 [0,2,0,0,0,0|2,0,0]=4 13931 B19R2.176319 CCC1CCCN(CC1)CCCc2ccccc2 269982a_100000757272_100000211621 [0,2,0,0,0,0|2,0,0]=4 13932 B19R2.176319 CCC1CCCN(CC1)CCCc2ccccc2 34a_100000757272_100000211621 [0,2,0,0,0,0|2,0,0]=4 13933 B19R2.176319 COC1CCCN(CC1)CCCc2ccccc2 2230a_100016993962_100000211621 [0,2,0,0,0,0|2,0,0]=4 13934 B19R2.176319 COC1CCCN(CC1)CCCc2ccccc2 269982a_100016993962_100000211621 [0,2,0,0,0,0|2,0,0]=4 13935 B19R2.176319 COC1CCCN(CC1)CCCc2ccccc2 34a_100016993962_100000211621 [0,2,0,0,0,0|2,0,0]=4 13936 B19R2.555578 CC1(CCCN(CC1)CCCc2ccccc2)O 2230a_100000723723_100000211621 [0,2,0,0,0,0|2,0,0]=4 13937 B19R2.555578 CC1(CCCN(CC1)CCCc2ccccc2)O 269982a_100000723723_100000211621 [0,2,0,0,0,0|2,0,0]=4 13938 B19R2.555578 CC1(CCCN(CC1)CCCc2ccccc2)O 34a_100000723723_100000211621 [0,2,0,0,0,0|2,0,0]=4 13939 B19R2.555578 FC1(CCCN(CC1)CCCc2ccccc2)F 2230a_100020621504_100000211621 [0,2,0,0,0,0|2,0,0]=4 13940 B19R2.555578 FC1(CCCN(CC1)CCCc2ccccc2)F 269982a_100020621504_100000211621 [0,2,0,0,0,0|2,0,0]=4 13941 B19R2.555578 FC1(CCCN(CC1)CCCc2ccccc2)F 34a_100020621504_100000211621 [0,2,0,0,0,0|2,0,0]=4 13942 B19R2.588679 CC1CCCN(CC1)CCCc2ccccc2Br 2230a_100025706717_200011713681 [0,2,0,0,0,0|2,0,0]=4 13943 B19R2.588679 CC1CCCN(CC1)CCCc2ccccc2Br 269982a_100025706717_200011713681 [0,2,0,0,0,0|2,0,0]=4 13944 B19R2.588679 CC1CCCN(CC1)CCCc2ccccc2Br 34a_100025706717_200011713681 [0,2,0,0,0,0|2,0,0]=4 13945 B19R2.588679 OC1CCCN(CC1)CCCc2ccccc2Br 2230a_100015186869_200011713681 [0,2,0,0,0,0|2,0,0]=4 13946 B19R2.588679 OC1CCCN(CC1)CCCc2ccccc2Br 269982a_100015186869_200011713681 [0,2,0,0,0,0|2,0,0]=4 13947 B19R2.183559 BrCc1ccccc1COCC2CCCCCC2 34a_100009816955_200000696569 [0,2,0,0,0,0|2,0,0]=4 13948 B19R2.183559 BrCc1ccccc1COCC2CCCCCC2 7a_100009816955_200000696569 [0,2,0,0,0,0|2,0,0]=4 13949 B19R2.183559 C#Cc1ccccc1CNCC2CCCCCC2 34a_100020634229_200000696569 [0,2,0,0,0,0|2,0,0]=4 13950 B19R2.183559 C#Cc1ccccc1COCC2CCCCCC2 34a_100000054652_200000696569 [0,2,0,0,0,0|2,0,0]=4 13951 B19R2.183559 C#Cc1ccccc1COCC2CCCCCC2 7a_100000054652_200000696569 [0,2,0,0,0,0|2,0,0]=4 13952 B19R2.183559 C=Cc1ccccc1COCC2CCCCCC2 34a_200010883148_200000696569 [0,2,0,0,0,0|2,0,0]=4 13953 B19R2.183559 C=Cc1ccccc1COCC2CCCCCC2 7a_200010883148_200000696569 [0,2,0,0,0,0|2,0,0]=4 13954 B19R2.183559 CCc1ccccc1CCNC2CCCCCC2 270004a_100011663701_100000210131 [0,2,0,0,0,0|0,0,0]=2 13955 B19R2.183559 CCc1ccccc1CCNC2CCCCCC2 34a_100011663701_100011217769 [0,2,0,0,0,0|0,0,0]=2 13956 B19R2.183559 CCc1ccccc1CCNC2CCCNCC2 270004a_100011663701_100015187895 [0,2,0,0,0,0|1,0,0]=3 13957 B19R2.183559 CCc1ccccc1CCNC2CSCCSC2 270004a_100011663701_100000068409 [0,2,0,0,0,0|2,0,0]=4 13958 B19R2.183559 CCc1ccccc1CNCC2CCCCCC2 207a_100015204231_100011219594 [0,2,0,0,0,0|2,0,0]=4 13959 B19R2.183559 CCc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100011219594 [0,2,0,0,0,0|2,0,0]=4 13960 B19R2.183559 CCc1ccccc1COCC2CCCCCC2 34a_100011663872_200000696569 [0,2,0,0,0,0|2,0,0]=4 13961 B19R2.183559 CCc1ccccc1COCC2CCCCCC2 7a_100011663872_200000696569 [0,2,0,0,0,0|2,0,0]=4 13962 B19R2.183559 COc1ccccc1CCCN2CCCCCC2 270004a_100000185865_100011713476 [0,2,0,0,0,0|2,0,0]=4 13963 B19R2.183559 COc1ccccc1CCNC2CCCCCC2 2230a_100000210984_100011713687 [0,2,0,0,0,0|0,0,0]=2 13964 B19R2.183559 COc1ccccc1CCNC2CCCCCC2 270004a_100000210984_100011713418 [0,2,0,0,0,0|0,0,0]=2 13965 B19R2.183559 COc1ccccc1CCNC2CCCCCC2 270004a_100000211851_100000210131 [0,2,0,0,0,0|0,0,0]=2 13966 B19R2.183559 COc1ccccc1CCNC2CCCCCC2 34a_100000210984_100011713687 [0,2,0,0,0,0|0,0,0]=2 13967 B19R2.183559 COc1ccccc1CCNC2CCCCCC2 34a_100000211851_100011217769 [0,2,0,0,0,0|0,0,0]=2 13968 B19R2.183559 COc1ccccc1CCNC2CCCNCC2 270004a_100000211851_100015187895 [0,2,0,0,0,0|1,0,0]=3 13969 B19R2.183559 COc1ccccc1CCNC2CSCCSC2 270004a_100000211851_100000068409 [0,2,0,0,0,0|2,0,0]=4 13970 B19R2.183559 COc1ccccc1CCOC2CCCCCC2 34a_100000210887_100011713687 [0,2,0,0,0,0|1,0,0]=3 13971 B19R2.183559 COc1ccccc1CCOC2CCCCCC2 34a_100011218620_100011217769 [0,2,0,0,0,0|1,0,0]=3 13972 B19R2.183559 COc1ccccc1CCOC2CCCCCC2 7a_100000210887_100011713687 [0,2,0,0,0,0|1,0,0]=3 13973 B19R2.183559 COc1ccccc1CCSC2CCCCCC2 62a_100011217769_100011713687 [0,2,0,0,0,0|1,0,0]=3 13974 B19R2.183559 COc1ccccc1CCSC2CCCCCC2 62a_100011713687_100011217769 [0,2,0,0,0,0|1,0,0]=3 13975 B19R2.183559 COc1ccccc1CNCC2CCCCCC2 207a_100015204231_100000169842 [0,2,0,0,0,0|2,0,0]=4 13976 B19R2.183559 COc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000210004 [0,2,0,0,0,0|2,0,0]=4 13977 B19R2.183559 COc1ccccc1CNCC2CCCCCC2 269862a_100000188900_200000763224 [0,2,0,0,0,0|2,0,0]=4 13978 B19R2.183559 COc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100000169842 [0,2,0,0,0,0|2,0,0]=4 13979 B19R2.183559 COc1ccccc1CNCC2CCCCCC2 34a_100000188900_200000696569 [0,2,0,0,0,0|2,0,0]=4 13980 B19R2.183559 COc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000210004 [0,2,0,0,0,0|2,0,0]=4 13981 B19R2.183559 COc1ccccc1COCC2CCCCCC2 34a_100000211301_200000696569 [0,2,0,0,0,0|2,0,0]=4 13982 B19R2.183559 COc1ccccc1COCC2CCCCCC2 34a_100000699130_100000210004 [0,2,0,0,0,0|2,0,0]=4 13983 B19R2.183559 COc1ccccc1COCC2CCCCCC2 7a_100000699130_100000210004 [0,2,0,0,0,0|2,0,0]=4 13984 B19R2.183559 COc1ccccc1CSCC2CCCCCC2 62a_100000210004_200000696569 [0,2,0,0,0,0|2,0,0]=4 13985 B19R2.183559 COc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000210004 [0,2,0,0,0,0|2,0,0]=4 13986 B19R2.183559 CSc1ccccc1CNCC2CCCCCC2 207a_100015204231_100011217347 [0,2,0,0,0,0|2,0,0]=4 13987 B19R2.183559 CSc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000699184 [0,2,0,0,0,0|2,0,0]=4 13988 B19R2.183559 CSc1ccccc1CNCC2CCCCCC2 269862a_102495365025_200000763224 [0,2,0,0,0,0|2,0,0]=4 13989 B19R2.183559 CSc1ccccc1CNCC2CCCCCC2 270004a_100015204231_100011217347 [0,2,0,0,0,0|2,0,0]=4 13990 B19R2.183559 CSc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000699184 [0,2,0,0,0,0|2,0,0]=4 13991 B19R2.183559 CSc1ccccc1CNCC2CCCCCC2 34a_102495365025_200000696569 [0,2,0,0,0,0|2,0,0]=4 13992 B19R2.183559 CSc1ccccc1COCC2CCCCCC2 34a_100000699130_100000699184 [0,2,0,0,0,0|2,0,0]=4 13993 B19R2.183559 CSc1ccccc1COCC2CCCCCC2 34a_100000699167_200000696569 [0,2,0,0,0,0|2,0,0]=4 13994 B19R2.183559 CSc1ccccc1COCC2CCCCCC2 7a_100000699130_100000699184 [0,2,0,0,0,0|2,0,0]=4 13995 B19R2.183559 CSc1ccccc1CSCC2CCCCCC2 62a_100000699184_200000696569 [0,2,0,0,0,0|2,0,0]=4 13996 B19R2.183559 CSc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000699184 [0,2,0,0,0,0|2,0,0]=4 13997 B19R2.183559 Cl[Pd]c1ccccc1CCNC2CCCCCC2 270004a_106741704370_100000210131 [0,2,0,0,0,0|0,0,0]=2 13998 B19R2.183559 Cl[Pd]c1ccccc1CCNC2CCCCCC2 34a_106741704370_100011217769 [0,2,0,0,0,0|0,0,0]=2 13999 B19R2.183559 Cl[Pd]c1ccccc1CCNC2CCCNCC2 270004a_106741704370_100015187895 [0,2,0,0,0,0|1,0,0]=3 14000 B19R2.183559 Cl[Pd]c1ccccc1CCNC2CSCCSC2 270004a_106741704370_100000068409 [0,2,0,0,0,0|2,0,0]=4 14001 B19R2.183559 N#Cc1ccccc1CCNC2CCCCCC2 2230a_100000210984_200013032965 [0,2,0,0,0,0|0,0,0]=2 14002 B19R2.183559 N#Cc1ccccc1CCNC2CCCCCC2 34a_100000210984_200013032965 [0,2,0,0,0,0|0,0,0]=2 14003 B19R2.183559 N#Cc1ccccc1CCOC2CCCCCC2 34a_100000210887_200013032965 [0,2,0,0,0,0|1,0,0]=3 14004 B19R2.183559 N#Cc1ccccc1CCOC2CCCCCC2 7a_100000210887_200013032965 [0,2,0,0,0,0|1,0,0]=3 14005 B19R2.183559 N#Cc1ccccc1CCSC2CCCCCC2 62a_100011217769_200013032965 [0,2,0,0,0,0|1,0,0]=3 14006 B19R2.183559 N#Cc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100000181865 [0,2,0,0,0,0|2,0,0]=4 14007 B19R2.183559 N#Cc1ccccc1CNCC2CCCCCC2 269862a_100016989011_200000763224 [0,2,0,0,0,0|2,0,0]=4 14008 B19R2.183559 N#Cc1ccccc1CNCC2CCCCCC2 34a_100015204231_100000181865 [0,2,0,0,0,0|2,0,0]=4 14009 B19R2.183559 N#Cc1ccccc1CNCC2CCCCCC2 34a_100016989011_200000696569 [0,2,0,0,0,0|2,0,0]=4 14010 B19R2.183559 N#Cc1ccccc1COCC2CCCCCC2 34a_100000699130_100000181865 [0,2,0,0,0,0|2,0,0]=4 14011 B19R2.183559 N#Cc1ccccc1COCC2CCCCCC2 34a_200011269968_200000696569 [0,2,0,0,0,0|2,0,0]=4 14012 B19R2.183559 N#Cc1ccccc1COCC2CCCCCC2 7a_100000699130_100000181865 [0,2,0,0,0,0|2,0,0]=4 14013 B19R2.183559 N#Cc1ccccc1COCC2CCCCCC2 7a_200011269968_200000696569 [0,2,0,0,0,0|2,0,0]=4 14014 B19R2.183559 N#Cc1ccccc1CSCC2CCCCCC2 62a_100000186380_200000696569 [0,2,0,0,0,0|2,0,0]=4 14015 B19R2.183559 N#Cc1ccccc1CSCC2CCCCCC2 62a_200000696569_100000181865 [0,2,0,0,0,0|2,0,0]=4 14016 B19R2.183559 NCc1ccccc1COCC2CCCCCC2 34a_100000743596_200000696569 [0,2,0,0,0,0|2,0,0]=4 14017 B19R2.183559 O=Cc1ccccc1CCNC2CCCCCC2 2230a_100000210984_100010186698 [0,2,0,0,0,0|0,0,0]=2 14018 B19R2.183559 O=Cc1ccccc1CCNC2CCCCCC2 34a_100000210984_100010186698 [0,2,0,0,0,0|0,0,0]=2 14019 B19R2.183559 O=Cc1ccccc1CCOC2CCCCCC2 34a_100000210887_100010186698 [0,2,0,0,0,0|1,0,0]=3 14020 B19R2.183559 O=Cc1ccccc1CCOC2CCCCCC2 7a_100000210887_100010186698 [0,2,0,0,0,0|1,0,0]=3 14021 B19R2.183559 O=Cc1ccccc1CCSC2CCCCCC2 62a_100010186698_100011217769 [0,2,0,0,0,0|1,0,0]=3 14022 B19R2.183559 O=Cc1ccccc1CCSC2CCCCCC2 62a_100011217769_100010186698 [0,2,0,0,0,0|1,0,0]=3 14023 B19R2.183559 O=Cc1ccccc1CNCC2CCCCCC2 2230a_100015204231_200009853537 [0,2,0,0,0,0|2,0,0]=4 14024 B19R2.183559 O=Cc1ccccc1CNCC2CCCCCC2 34a_100015204231_200009853537 [0,2,0,0,0,0|2,0,0]=4 14025 B19R2.183559 O=Cc1ccccc1COCC2CCCCCC2 34a_100000699130_200009853537 [0,2,0,0,0,0|2,0,0]=4 14026 B19R2.183559 O=Cc1ccccc1COCC2CCCCCC2 7a_100000699130_200009853537 [0,2,0,0,0,0|2,0,0]=4 14027 B19R2.183559 O=Cc1ccccc1CSCC2CCCCCC2 62a_200000696569_200009853537 [0,2,0,0,0,0|2,0,0]=4 14028 B19R2.183559 O=Cc1ccccc1CSCC2CCCCCC2 62a_200009853537_200000696569 [0,2,0,0,0,0|2,0,0]=4 14029 B19R2.183559 OCc1ccccc1CNCC2CCCCCC2 2230a_100015204231_100009816955 [0,2,0,0,0,0|2,0,0]=4 14030 B19R2.183559 OCc1ccccc1CNCC2CCCCCC2 269862a_100000743596_200000763224 [0,2,0,0,0,0|2,0,0]=4 14031 B19R2.183559 OCc1ccccc1CNCC2CCCCCC2 34a_100015204231_100009816955 [0,2,0,0,0,0|2,0,0]=4 14032 B19R2.183559 OCc1ccccc1COCC2CCCCCC2 34a_100000699130_100009816955 [0,2,0,0,0,0|2,0,0]=4 14033 B19R2.183559 OCc1ccccc1COCC2CCCCCC2 7a_100000699130_100009816955 [0,2,0,0,0,0|2,0,0]=4 14034 B19R2.183559 OCc1ccccc1CSCC2CCCCCC2 62a_100009816955_200000696569 [0,2,0,0,0,0|2,0,0]=4 14035 B19R2.183559 OCc1ccccc1CSCC2CCCCCC2 62a_200000696569_100009816955 [0,2,0,0,0,0|2,0,0]=4 14036 B19R2.503619 CN(CCc1ccccc1Br)C2CCCCCC2 2230a_100015185097_100012161201 [0,2,0,0,0,0|0,0,0]=2 14037 B19R2.503619 CN(CCc1ccccc1Br)C2CCCCCC2 269982a_100015185097_100012161201 [0,2,0,0,0,0|0,0,0]=2 14038 B19R2.503619 CN(CCc1ccccc1Br)C2CCCCCC2 34a_100015185097_100012161201 [0,2,0,0,0,0|0,0,0]=2 14039 B19R2.503619 CN(CCc1ccccc1Cl)C2CCCCCC2 2230a_100015185097_100011713703 [0,2,0,0,0,0|0,0,0]=2 14040 B19R2.503619 CN(CCc1ccccc1Cl)C2CCCCCC2 269982a_100015185097_100011713703 [0,2,0,0,0,0|0,0,0]=2 14041 B19R2.503619 CN(CCc1ccccc1Cl)C2CCCCCC2 270004a_100015185097_200011713468 [0,2,0,0,0,0|0,0,0]=2 14042 B19R2.503619 CN(CCc1ccccc1Cl)C2CCCCCC2 34a_100015185097_100011713703 [0,2,0,0,0,0|0,0,0]=2 14043 B19R2.503619 CN(CCc1ccccc1F)C2CCCCCC2 2230a_100015185097_100011713696 [0,2,0,0,0,0|0,0,0]=2 14044 B19R2.503619 CN(CCc1ccccc1F)C2CCCCCC2 269982a_100000232559_100011217769 [0,2,0,0,0,0|0,0,0]=2 14045 B19R2.503619 CN(CCc1ccccc1F)C2CCCCCC2 269982a_100015185097_100011713696 [0,2,0,0,0,0|0,0,0]=2 14046 B19R2.503619 CN(CCc1ccccc1F)C2CCCCCC2 270004a_100000232559_100000210131 [0,2,0,0,0,0|0,0,0]=2 14047 B19R2.503619 CN(CCc1ccccc1F)C2CCCCCC2 34a_100000232559_100011217769 [0,2,0,0,0,0|0,0,0]=2 14048 B19R2.503619 CN(CCc1ccccc1F)C2CCCCCC2 34a_100015185097_100000720011 [0,2,0,0,0,0|0,0,0]=2 14049 B19R2.503619 CN(CCc1ccccc1F)C2CCCNCC2 270004a_100000232559_100015187895 [0,2,0,0,0,0|1,0,0]=3 14050 B19R2.503619 CN(CCc1ccccc1F)C2CSCCSC2 270004a_100000232559_100000068409 [0,2,0,0,0,0|2,0,0]=4 14051 B19R2.503619 CN(CCc1ccccc1O)C2CCCCCC2 269982a_100015185097_100000722297 [0,2,0,0,0,0|0,0,0]=2 14052 B19R2.503619 CN(CCc1ccccc1O)C2CCCCCC2 34a_100015185097_100000722297 [0,2,0,0,0,0|0,0,0]=2 14053 B19R2.503619 Cc1ccccc1CCC(=O)C2CCCCCC2 1458a_100000748742_100011217769 [0,2,0,0,0,0|1,0,0]=3 14054 B19R2.503619 Cc1ccccc1CCC(=O)C2CCCCCC2 1458a_100000749507_100011713688 [0,2,0,0,0,0|1,0,0]=3 14055 B19R2.503619 Cc1ccccc1CCC(=O)N2CCCCCC2 11a_100000185865_100000748742 [0,2,0,0,0,0|2,0,0]=4 14056 B19R2.503619 Cc1ccccc1CCC(=O)N2CCCCCC2 1626a_100000185865_100000748742 [0,2,0,0,0,0|2,0,0]=4 14057 B19R2.503619 Cc1ccccc1CCC(=O)N2CCCCCC2 240690a_100000185865_100000748742 [0,2,0,0,0,0|2,0,0]=4 14058 B19R2.503619 Cc1ccccc1CCC(=O)N2CCCCCC2 527a_100000185865_100000748742 [0,2,0,0,0,0|2,0,0]=4 14059 B19R2.503619 Cc1ccccc1CCN(C)C2CCCCCC2 2230a_100015185097_100011713688 [0,2,0,0,0,0|0,0,0]=2 14060 B19R2.503619 Cc1ccccc1CCN(C)C2CCCCCC2 269982a_100015185097_100011713688 [0,2,0,0,0,0|0,0,0]=2 14061 B19R2.503619 Cc1ccccc1CCN(C)C2CCCCCC2 34a_100015185097_100011713688 [0,2,0,0,0,0|0,0,0]=2 14062 B19R2.503619 Cc1ccccc1CNC(=O)C2CCCCCC2 11a_100000174972_100000749507 [0,2,0,0,0,0|2,0,0]=4 14063 B19R2.503619 Cc1ccccc1CNC(=O)C2CCCCCC2 1626a_100000174972_100000749507 [0,2,0,0,0,0|2,0,0]=4 14064 B19R2.503619 Cc1ccccc1CNC(=O)C2CCCCCC2 240690a_100000174972_100000749507 [0,2,0,0,0,0|2,0,0]=4 14065 B19R2.503619 Cc1ccccc1CNC(=O)C2CCCCCC2 527a_100000174972_100000749507 [0,2,0,0,0,0|2,0,0]=4 14066 B19R2.503619 Cc1ccccc1OCC(=O)C2CCCCCC2 1458a_100000182418_100011217769 [0,2,0,0,0,0|2,0,0]=4 14067 B19R2.503619 Cc1ccccc1SCC(=O)C2CCCCCC2 1458a_100000183026_100011217769 [0,2,0,0,0,0|2,0,0]=4 14068 B19R2.503619 O=C(CCc1ccccc1Br)C2CCCCCC2 1458a_100000740810_100011217769 [0,2,0,0,0,0|1,0,0]=3 14069 B19R2.503619 O=C(CCc1ccccc1Br)C2CCCCCC2 1458a_100000749507_100012161201 [0,2,0,0,0,0|1,0,0]=3 14070 B19R2.503619 O=C(CCc1ccccc1Br)N2CCCCCC2 11a_100000185865_100000740810 [0,2,0,0,0,0|2,0,0]=4 14071 B19R2.503619 O=C(CCc1ccccc1Br)N2CCCCCC2 1626a_100000185865_100000740810 [0,2,0,0,0,0|2,0,0]=4 14072 B19R2.503619 O=C(CCc1ccccc1Br)N2CCCCCC2 240690a_100000185865_100000740810 [0,2,0,0,0,0|2,0,0]=4 14073 B19R2.503619 O=C(CCc1ccccc1Br)N2CCCCCC2 527a_100000185865_100000740810 [0,2,0,0,0,0|2,0,0]=4 14074 B19R2.503619 O=C(CCc1ccccc1Cl)C2CCCCCC2 1458a_100000184300_100011217769 [0,2,0,0,0,0|1,0,0]=3 14075 B19R2.503619 O=C(CCc1ccccc1Cl)C2CCCCCC2 1458a_100000749507_100011713703 [0,2,0,0,0,0|1,0,0]=3 14076 B19R2.503619 O=C(CCc1ccccc1Cl)N2CCCCCC2 11a_100000185865_100000184300 [0,2,0,0,0,0|2,0,0]=4 14077 B19R2.503619 O=C(CCc1ccccc1Cl)N2CCCCCC2 1626a_100000185865_100000184300 [0,2,0,0,0,0|2,0,0]=4 14078 B19R2.503619 O=C(CCc1ccccc1Cl)N2CCCCCC2 240690a_100000185865_100000184300 [0,2,0,0,0,0|2,0,0]=4 14079 B19R2.503619 O=C(CCc1ccccc1Cl)N2CCCCCC2 527a_100000185865_100000184300 [0,2,0,0,0,0|2,0,0]=4 14080 B19R2.503619 O=C(CCc1ccccc1F)C2CCCCCC2 1458a_100000189703_100011217769 [0,2,0,0,0,0|1,0,0]=3 14081 B19R2.503619 O=C(CCc1ccccc1F)C2CCCCCC2 1458a_100000749507_100000720011 [0,2,0,0,0,0|1,0,0]=3 14082 B19R2.503619 O=C(CCc1ccccc1F)N2CCCCCC2 11a_100000185865_100000189703 [0,2,0,0,0,0|2,0,0]=4 14083 B19R2.503619 O=C(CCc1ccccc1F)N2CCCCCC2 1626a_100000185865_100000189703 [0,2,0,0,0,0|2,0,0]=4 14084 B19R2.503619 O=C(CCc1ccccc1F)N2CCCCCC2 240690a_100000185865_100000189703 [0,2,0,0,0,0|2,0,0]=4 14085 B19R2.503619 O=C(CCc1ccccc1F)N2CCCCCC2 527a_100000185865_100000189703 [0,2,0,0,0,0|2,0,0]=4 14086 B19R2.503619 O=C(CCc1ccccc1I)C2CCCCCC2 1458a_100000037306_100011217769 [0,2,0,0,0,0|1,0,0]=3 14087 B19R2.503619 O=C(CCc1ccccc1I)N2CCCCCC2 11a_100000185865_100000037306 [0,2,0,0,0,0|2,0,0]=4 14088 B19R2.503619 O=C(CCc1ccccc1I)N2CCCCCC2 1626a_100000185865_100000037306 [0,2,0,0,0,0|2,0,0]=4 14089 B19R2.503619 O=C(CCc1ccccc1I)N2CCCCCC2 240690a_100000185865_100000037306 [0,2,0,0,0,0|2,0,0]=4 14090 B19R2.503619 O=C(CCc1ccccc1I)N2CCCCCC2 527a_100000185865_100000037306 [0,2,0,0,0,0|2,0,0]=4 14091 B19R2.503619 O=C(CCc1ccccc1O)C2CCCCCC2 1458a_100000181328_100011217769 [0,2,0,0,0,0|1,0,0]=3 14092 B19R2.503619 O=C(CCc1ccccc1O)C2CCCCCC2 1458a_100000749507_100000722297 [0,2,0,0,0,0|1,0,0]=3 14093 B19R2.503619 O=C(CCc1ccccc1O)N2CCCCCC2 11a_100000185865_100000181328 [0,2,0,0,0,0|2,0,0]=4 14094 B19R2.503619 O=C(CCc1ccccc1O)N2CCCCCC2 240690a_100000185865_100000181328 [0,2,0,0,0,0|2,0,0]=4 14095 B19R2.503619 O=C(CCc1ccccc1O)N2CCCCCC2 527a_100000185865_100000181328 [0,2,0,0,0,0|2,0,0]=4 14096 B19R2.503619 O=C(CCn1ccccc1=O)C2CCCCCC2 1458a_100000738505_100011217769 [0,2,0,0,0,0|2,0,0]=4 14097 B19R2.503619 O=C(COc1ccccc1Br)C2CCCCCC2 1458a_100000216496_100011217769 [0,2,0,0,0,0|2,0,0]=4 14098 B19R2.503619 O=C(COc1ccccc1Cl)C2CCCCCC2 1458a_100000185159_100011217769 [0,2,0,0,0,0|2,0,0]=4 14099 B19R2.503619 O=C(COc1ccccc1F)C2CCCCCC2 1458a_100000182486_100011217769 [0,2,0,0,0,0|2,0,0]=4 14100 B19R2.503619 O=C(COc1ccccc1O)C2CCCCCC2 1458a_100000183020_100011217769 [0,2,0,0,0,0|2,0,0]=4 14101 B19R2.503619 O=C(CSc1ccccc1F)C2CCCCCC2 1458a_100000179528_100011217769 [0,2,0,0,0,0|2,0,0]=4 14102 B19R2.503619 O=C(CSc1ccccc1O)C2CCCCCC2 1458a_100000695322_100011217769 [0,2,0,0,0,0|2,0,0]=4 14103 B19R2.503619 O=C(NCc1ccccc1Br)C2CCCCCC2 11a_100000689332_100000749507 [0,2,0,0,0,0|2,0,0]=4 14104 B19R2.503619 O=C(NCc1ccccc1Br)C2CCCCCC2 1626a_100000689332_100000749507 [0,2,0,0,0,0|2,0,0]=4 14105 B19R2.503619 O=C(NCc1ccccc1Br)C2CCCCCC2 240690a_100000689332_100000749507 [0,2,0,0,0,0|2,0,0]=4 14106 B19R2.503619 O=C(NCc1ccccc1Br)C2CCCCCC2 527a_100000689332_100000749507 [0,2,0,0,0,0|2,0,0]=4 14107 B19R2.503619 O=C(NCc1ccccc1Cl)C2CCCCCC2 11a_100000174879_100000749507 [0,2,0,0,0,0|2,0,0]=4 14108 B19R2.503619 O=C(NCc1ccccc1Cl)C2CCCCCC2 1626a_100000174879_100000749507 [0,2,0,0,0,0|2,0,0]=4 14109 B19R2.503619 O=C(NCc1ccccc1Cl)C2CCCCCC2 240690a_100000174879_100000749507 [0,2,0,0,0,0|2,0,0]=4 14110 B19R2.503619 O=C(NCc1ccccc1Cl)C2CCCCCC2 527a_100000174879_100000749507 [0,2,0,0,0,0|2,0,0]=4 14111 B19R2.503619 O=C(NCc1ccccc1F)C2CCCCCC2 11a_100000174869_100000749507 [0,2,0,0,0,0|2,0,0]=4 14112 B19R2.503619 O=C(NCc1ccccc1F)C2CCCCCC2 1626a_100000174869_100000749507 [0,2,0,0,0,0|2,0,0]=4 14113 B19R2.503619 O=C(NCc1ccccc1F)C2CCCCCC2 240690a_100000174869_100000749507 [0,2,0,0,0,0|2,0,0]=4 14114 B19R2.503619 O=C(NCc1ccccc1F)C2CCCCCC2 527a_100000174869_100000749507 [0,2,0,0,0,0|2,0,0]=4 14115 B19R2.503619 O=C(NCc1ccccc1I)C2CCCCCC2 11a_100015347259_100000749507 [0,2,0,0,0,0|2,0,0]=4 14116 B19R2.503619 O=C(NCc1ccccc1I)C2CCCCCC2 1626a_100015347259_100000749507 [0,2,0,0,0,0|2,0,0]=4 14117 B19R2.503619 O=C(NCc1ccccc1I)C2CCCCCC2 240690a_100015347259_100000749507 [0,2,0,0,0,0|2,0,0]=4 14118 B19R2.503619 O=C(NCc1ccccc1I)C2CCCCCC2 527a_100015347259_100000749507 [0,2,0,0,0,0|2,0,0]=4 14119 B19R2.503619 O=C(NCc1ccccc1O)C2CCCCCC2 240690a_100000185550_100000749507 [0,2,0,0,0,0|2,0,0]=4 14120 B19R2.503619 O=C(NCc1ccccc1O)C2CCCCCC2 527a_100000185550_100000749507 [0,2,0,0,0,0|2,0,0]=4 14121 B19R2.503720 CC(Cc1ccccc1Br)NC2CCCCCC2 270004a_100000210984_100011350739 [0,2,0,0,0,0|0,0,0]=2 14122 B19R2.503720 CC(Cc1ccccc1Cl)NC2CCCCCC2 270004a_100000210984_100000758791 [0,2,0,0,0,0|0,0,0]=2 14123 B19R2.503720 CC(Cc1ccccc1F)NC2CCCCCC2 270004a_100000210984_100000709178 [0,2,0,0,0,0|0,0,0]=2 14124 B19R2.503720 CN(Cc1ccccc1Br)CC2CCCCCC2 2230a_100000184654_200000696569 [0,2,0,0,0,0|2,0,0]=4 14125 B19R2.503720 CN(Cc1ccccc1Br)CC2CCCCCC2 269982a_100000184654_200000696569 [0,2,0,0,0,0|2,0,0]=4 14126 B19R2.503720 CN(Cc1ccccc1Cl)CC2CCCCCC2 2230a_100000184507_200000696569 [0,2,0,0,0,0|2,0,0]=4 14127 B19R2.503720 CN(Cc1ccccc1Cl)CC2CCCCCC2 269982a_100000184507_200000696569 [0,2,0,0,0,0|2,0,0]=4 14128 B19R2.503720 CN(Cc1ccccc1F)CC2CCCCCC2 2230a_100000742528_200000696569 [0,2,0,0,0,0|2,0,0]=4 14129 B19R2.503720 CN(Cc1ccccc1F)CC2CCCCCC2 269982a_100000742528_200000696569 [0,2,0,0,0,0|2,0,0]=4 14130 B19R2.503720 CN(Cc1ccccc1F)CC2CCCCCC2 34a_100000742528_200000696569 [0,2,0,0,0,0|2,0,0]=4 14131 B19R2.503720 CN(Cc1ccccc1O)CC2CCCCCC2 2230a_100015189988_200000696569 [0,2,0,0,0,0|2,0,0]=4 14132 B19R2.503720 CN(Cc1ccccc1O)CC2CCCCCC2 269982a_100015189988_200000696569 [0,2,0,0,0,0|2,0,0]=4 14133 B19R2.503720 Cc1ccccc1CC(=O)CC2CCCCCC2 1458a_100000212180_200000696569 [0,2,0,0,0,0|1,0,1]=4 14134 B19R2.503720 Cc1ccccc1CC(=O)CC2CCCCCC2 1458a_100000685095_100000211839 [0,2,0,0,0,0|1,0,1]=4 14135 B19R2.503720 Cc1ccccc1CC(=O)NC2CCCCCC2 11a_100000210984_100000212180 [0,2,0,0,0,0|0,0,1]=3 14136 B19R2.503720 Cc1ccccc1CC(=O)NC2CCCCCC2 1626a_100000210984_100000212180 [0,2,0,0,0,0|0,0,1]=3 14137 B19R2.503720 Cc1ccccc1CC(=O)NC2CCCCCC2 240690a_100000210984_100000212180 [0,2,0,0,0,0|0,0,1]=3 14138 B19R2.503720 Cc1ccccc1CC(=O)NC2CCCCCC2 527a_100000210984_100000212180 [0,2,0,0,0,0|0,0,1]=3 14139 B19R2.503720 Cc1ccccc1CC(C)NC2CCCCCC2 270004a_100000210984_200000764500 [0,2,0,0,0,0|0,0,0]=2 14140 B19R2.503720 Cc1ccccc1CN(C)CC2CCCCCC2 2230a_100000184421_200000696569 [0,2,0,0,0,0|2,0,0]=4 14141 B19R2.503720 Cc1ccccc1CN(C)CC2CCCCCC2 269982a_100000184421_200000696569 [0,2,0,0,0,0|2,0,0]=4 14142 B19R2.503720 Cc1ccccc1NC(=O)NC2CCCCCC2 2430a_100015192222_100000210984 [0,2,0,0,0,0|1,0,1]=4 14143 B19R2.503720 Cc1cccnc1CC(=O)NC2CCCCCC2 11a_100000210984_200000722269 [0,2,0,0,0,0|1,0,1]=4 14144 B19R2.503720 Cc1cccnc1CC(=O)NC2CCCCCC2 1626a_100000210984_200000722269 [0,2,0,0,0,0|1,0,1]=4 14145 B19R2.503720 Cc1cccnc1CC(=O)NC2CCCCCC2 240690a_100000210984_200000722269 [0,2,0,0,0,0|1,0,1]=4 14146 B19R2.503720 Cc1cccnc1CC(C)NC2CCCCCC2 270004a_100000210984_100011823981 [0,2,0,0,0,0|1,0,0]=3 14147 B19R2.503720 O=C(Cc1ccccc1Br)CC2CCCCCC2 1458a_100000685095_100000184730 [0,2,0,0,0,0|1,0,1]=4 14148 B19R2.503720 O=C(Cc1ccccc1Br)CC2CCCCCC2 1458a_100000751119_200000696569 [0,2,0,0,0,0|1,0,1]=4 14149 B19R2.503720 O=C(Cc1ccccc1Br)NC2CCCCCC2 11a_100000210984_100000751119 [0,2,0,0,0,0|0,0,1]=3 14150 B19R2.503720 O=C(Cc1ccccc1Br)NC2CCCCCC2 240690a_100000210984_100000751119 [0,2,0,0,0,0|0,0,1]=3 14151 B19R2.503720 O=C(Cc1ccccc1Br)NC2CCCCCC2 527a_100000210984_100000751119 [0,2,0,0,0,0|0,0,1]=3 14152 B19R2.503720 O=C(Cc1ccccc1Cl)CC2CCCCCC2 1458a_100000183793_200000696569 [0,2,0,0,0,0|1,0,1]=4 14153 B19R2.503720 O=C(Cc1ccccc1Cl)CC2CCCCCC2 1458a_100000685095_100000187162 [0,2,0,0,0,0|1,0,1]=4 14154 B19R2.503720 O=C(Cc1ccccc1Cl)NC2CCCCCC2 11a_100000210984_100000183793 [0,2,0,0,0,0|0,0,1]=3 14155 B19R2.503720 O=C(Cc1ccccc1Cl)NC2CCCCCC2 1626a_100000210984_100000183793 [0,2,0,0,0,0|0,0,1]=3 14156 B19R2.503720 O=C(Cc1ccccc1Cl)NC2CCCCCC2 240690a_100000210984_100000183793 [0,2,0,0,0,0|0,0,1]=3 14157 B19R2.503720 O=C(Cc1ccccc1Cl)NC2CCCCCC2 527a_100000210984_100000183793 [0,2,0,0,0,0|0,0,1]=3 14158 B19R2.503720 O=C(Cc1ccccc1F)CC2CCCCCC2 1458a_100000212012_200000696569 [0,2,0,0,0,0|1,0,1]=4 14159 B19R2.503720 O=C(Cc1ccccc1F)CC2CCCCCC2 1458a_100000685095_100000187165 [0,2,0,0,0,0|1,0,1]=4 14160 B19R2.503720 O=C(Cc1ccccc1F)NC2CCCCCC2 11a_100000210984_100000212012 [0,2,0,0,0,0|0,0,1]=3 14161 B19R2.503720 O=C(Cc1ccccc1F)NC2CCCCCC2 1626a_100000210984_100000212012 [0,2,0,0,0,0|0,0,1]=3 14162 B19R2.503720 O=C(Cc1ccccc1F)NC2CCCCCC2 240690a_100000210984_100000212012 [0,2,0,0,0,0|0,0,1]=3 14163 B19R2.503720 O=C(Cc1ccccc1F)NC2CCCCCC2 527a_100000210984_100000212012 [0,2,0,0,0,0|0,0,1]=3 14164 B19R2.503720 O=C(Cc1ccccc1I)CC2CCCCCC2 1458a_100000036491_200000696569 [0,2,0,0,0,0|1,0,1]=4 14165 B19R2.503720 O=C(Cc1ccccc1I)CC2CCCCCC2 1458a_100000685095_100011216222 [0,2,0,0,0,0|1,0,1]=4 14166 B19R2.503720 O=C(Cc1ccccc1I)NC2CCCCCC2 11a_100000210984_100000036491 [0,2,0,0,0,0|0,0,1]=3 14167 B19R2.503720 O=C(Cc1ccccc1I)NC2CCCCCC2 1626a_100000210984_100000036491 [0,2,0,0,0,0|0,0,1]=3 14168 B19R2.503720 O=C(Cc1ccccc1I)NC2CCCCCC2 240690a_100000210984_100000036491 [0,2,0,0,0,0|0,0,1]=3 14169 B19R2.503720 O=C(Cc1ccccc1I)NC2CCCCCC2 527a_100000210984_100000036491 [0,2,0,0,0,0|0,0,1]=3 14170 B19R2.503720 O=C(Cc1ccccc1O)CC2CCCCCC2 1458a_100000743006_200000696569 [0,2,0,0,0,0|1,0,1]=4 14171 B19R2.503720 O=C(Cc1ccccc1O)NC2CCCCCC2 240690a_100000210984_100000743006 [0,2,0,0,0,0|0,0,1]=3 14172 B19R2.503720 O=C(Cc1ccccc1O)NC2CCCCCC2 527a_100000210984_100000743006 [0,2,0,0,0,0|0,0,1]=3 14173 B19R2.503720 O=C(Cc1cccnc1Cl)NC2CCCCCC2 11a_100000210984_100000093521 [0,2,0,0,0,0|1,0,1]=4 14174 B19R2.503720 O=C(Cc1cccnc1Cl)NC2CCCCCC2 1626a_100000210984_100000093521 [0,2,0,0,0,0|1,0,1]=4 14175 B19R2.503720 O=C(Cc1cccnc1Cl)NC2CCCCCC2 240690a_100000210984_100000093521 [0,2,0,0,0,0|1,0,1]=4 14176 B19R2.503720 O=C(Cc1cccnc1Cl)NC2CCCCCC2 527a_100000210984_100000093521 [0,2,0,0,0,0|1,0,1]=4 14177 B19R2.503720 O=C(Cc1ncccc1Br)NC2CCCCCC2 11a_100000210984_200012357574 [0,2,0,0,0,0|1,0,1]=4 14178 B19R2.503720 O=C(Cc1ncccc1Br)NC2CCCCCC2 240690a_100000210984_200012357574 [0,2,0,0,0,0|1,0,1]=4 14179 B19R2.503720 O=C(Cc1ncccc1Cl)NC2CCCCCC2 11a_100000210984_100011998755 [0,2,0,0,0,0|1,0,1]=4 14180 B19R2.503720 O=C(Cc1ncccc1Cl)NC2CCCCCC2 240690a_100000210984_100011998755 [0,2,0,0,0,0|1,0,1]=4 14181 B19R2.503720 O=C(Cc1ncccc1Cl)NC2CCCCCC2 527a_100000210984_100011998755 [0,2,0,0,0,0|1,0,1]=4 14182 B19R2.503720 O=C(Cn1ccccc1=O)NC2CCCCCC2 1626a_100000210984_100000189665 [0,2,0,0,0,0|1,0,1]=4 14183 B19R2.503720 O=C(Cn1ccccc1=O)NC2CCCCCC2 240690a_100000210984_100000189665 [0,2,0,0,0,0|1,0,1]=4 14184 B19R2.503720 O=C(Cn1ccccc1=O)NC2CCCCCC2 527a_100000210984_100000189665 [0,2,0,0,0,0|1,0,1]=4 14185 B19R2.503720 O=C(Nc1ccccc1Br)NC2CCCCCC2 2430a_100000210017_100000210984 [0,2,0,0,0,0|1,0,1]=4 14186 B19R2.503720 O=C(Nc1ccccc1Cl)NC2CCCCCC2 2430a_100000185783_100000210984 [0,2,0,0,0,0|1,0,1]=4 14187 B19R2.503720 O=C(Nc1ccccc1F)NC2CCCCCC2 2430a_100000210422_100000210984 [0,2,0,0,0,0|1,0,1]=4 14188 B19R2.503720 O=C(Nc1ccccc1I)NC2CCCCCC2 2430a_100000210053_100000210984 [0,2,0,0,0,0|1,0,1]=4 14189 B19R2.503720 O=C(Nc1ccccc1O)NC2CCCCCC2 2430a_100000185747_100000210984 [0,2,0,0,0,0|1,0,1]=4 14190 B19R2.507321 Brc1cc(ccc1CNCC2CCCCCC2)I 207a_100015204231_100010185650 [0,2,0,0,0,0|2,0,0]=4 14191 B19R2.507321 Brc1cc(ccc1CNCC2CCCCCC2)I 2230a_100015204231_100010146610 [0,2,0,0,0,0|2,0,0]=4 14192 B19R2.507321 Brc1cc(ccc1CNCC2CCCCCC2)I 34a_100015204231_100010146610 [0,2,0,0,0,0|2,0,0]=4 14193 B19R2.507321 Brc1cc(ccc1COCC2CCCCCC2)I 34a_100000699130_100010146610 [0,2,0,0,0,0|2,0,0]=4 14194 B19R2.507321 Brc1cc(ccc1COCC2CCCCCC2)I 7a_100000699130_100010146610 [0,2,0,0,0,0|2,0,0]=4 14195 B19R2.507321 Brc1cc(ccc1COCC2CCCCCC2)I 7a_100010240206_200000696569 [0,2,0,0,0,0|2,0,0]=4 14196 B19R2.507321 Brc1ccc(c(c1)Br)CNCC2CCCCCC2 207a_100015204231_100012351556 [0,2,0,0,0,0|2,0,0]=4 14197 B19R2.507321 Brc1ccc(c(c1)Br)CNCC2CCCCCC2 2230a_100015204231_200012351560 [0,2,0,0,0,0|2,0,0]=4 14198 B19R2.507321 Brc1ccc(c(c1)Br)CNCC2CCCCCC2 270004a_100015204231_100012351556 [0,2,0,0,0,0|2,0,0]=4 14199 B19R2.507321 Brc1ccc(c(c1)Br)CNCC2CCCCCC2 34a_100015204231_200012351560 [0,2,0,0,0,0|2,0,0]=4 14200 B19R2.507321 Brc1ccc(c(c1)Br)COCC2CCCCCC2 34a_100000699130_200012351560 [0,2,0,0,0,0|2,0,0]=4 14201 B19R2.507321 Brc1ccc(c(c1)Br)COCC2CCCCCC2 34a_100012357508_200000696569 [0,2,0,0,0,0|2,0,0]=4 14202 B19R2.507321 Brc1ccc(c(c1)Br)COCC2CCCCCC2 7a_100000699130_200012351560 [0,2,0,0,0,0|2,0,0]=4 14203 B19R2.507321 Brc1ccc(c(c1)Br)COCC2CCCCCC2 7a_100012357508_200000696569 [0,2,0,0,0,0|2,0,0]=4 14204 B19R2.507321 Brc1ccc(c(c1)I)CNCC2CCCCCC2 207a_100015204231_100010146562 [0,2,0,0,0,0|2,0,0]=4 14205 B19R2.507321 Brc1ccc(c(c1)I)CNCC2CCCCCC2 2230a_100015204231_100010146615 [0,2,0,0,0,0|2,0,0]=4 14206 B19R2.507321 Brc1ccc(c(c1)I)CNCC2CCCCCC2 270004a_100015204231_100010146562 [0,2,0,0,0,0|2,0,0]=4 14207 B19R2.507321 Brc1ccc(c(c1)I)CNCC2CCCCCC2 34a_100015204231_100010146615 [0,2,0,0,0,0|2,0,0]=4 14208 B19R2.507321 Brc1ccc(c(c1)I)COCC2CCCCCC2 34a_100000699130_100010146615 [0,2,0,0,0,0|2,0,0]=4 14209 B19R2.507321 Brc1ccc(c(c1)I)COCC2CCCCCC2 7a_100000699130_100010146615 [0,2,0,0,0,0|2,0,0]=4 14210 B19R2.507321 Brc1ccc(c(c1)I)COCC2CCCCCC2 7a_100010146605_200000696569 [0,2,0,0,0,0|2,0,0]=4 14211 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Br 207a_100015204231_100000687586 [0,2,0,0,0,0|2,0,0]=4 14212 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Br 2230a_100015204231_100000708836 [0,2,0,0,0,0|2,0,0]=4 14213 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Br 269862a_100000753881_200000763224 [0,2,0,0,0,0|2,0,0]=4 14214 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Br 270004a_100015204231_100000687586 [0,2,0,0,0,0|2,0,0]=4 14215 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Br 34a_100000753881_200000696569 [0,2,0,0,0,0|2,0,0]=4 14216 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Br 34a_100015204231_100000708836 [0,2,0,0,0,0|2,0,0]=4 14217 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Cl 207a_100015204231_100000766358 [0,2,0,0,0,0|2,0,0]=4 14218 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Cl 2230a_100015204231_100012361307 [0,2,0,0,0,0|2,0,0]=4 14219 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Cl 269862a_103436540063_200000763224 [0,2,0,0,0,0|2,0,0]=4 14220 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Cl 270004a_100015204231_100000766358 [0,2,0,0,0,0|2,0,0]=4 14221 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Cl 34a_100015204231_100012361307 [0,2,0,0,0,0|2,0,0]=4 14222 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)Cl 34a_103436540063_200000696569 [0,2,0,0,0,0|2,0,0]=4 14223 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)F 207a_100015204231_100000745986 [0,2,0,0,0,0|2,0,0]=4 14224 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)F 2230a_100015204231_100000700533 [0,2,0,0,0,0|2,0,0]=4 14225 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)F 269862a_100137329023_200000763224 [0,2,0,0,0,0|2,0,0]=4 14226 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)F 270004a_100015204231_100000745986 [0,2,0,0,0,0|2,0,0]=4 14227 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)F 34a_100015204231_100000700533 [0,2,0,0,0,0|2,0,0]=4 14228 B19R2.507321 Cc1cc(ccc1CNCC2CCCCCC2)F 34a_100137329023_200000696569 [0,2,0,0,0,0|2,0,0]=4 14229 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Br 34a_100000699130_100000708836 [0,2,0,0,0,0|2,0,0]=4 14230 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Br 34a_100000748258_200000696569 [0,2,0,0,0,0|2,0,0]=4 14231 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Br 7a_100000699130_100000708836 [0,2,0,0,0,0|2,0,0]=4 14232 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Br 7a_100000748258_200000696569 [0,2,0,0,0,0|2,0,0]=4 14233 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Cl 34a_100000699130_100012361307 [0,2,0,0,0,0|2,0,0]=4 14234 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Cl 34a_100000702939_200000696569 [0,2,0,0,0,0|2,0,0]=4 14235 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Cl 7a_100000699130_100012361307 [0,2,0,0,0,0|2,0,0]=4 14236 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)Cl 7a_100000702939_200000696569 [0,2,0,0,0,0|2,0,0]=4 14237 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)F 34a_100000699130_100000700533 [0,2,0,0,0,0|2,0,0]=4 14238 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)F 34a_100000700136_200000696569 [0,2,0,0,0,0|2,0,0]=4 14239 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)F 7a_100000699130_100000700533 [0,2,0,0,0,0|2,0,0]=4 14240 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)F 7a_100000700136_200000696569 [0,2,0,0,0,0|2,0,0]=4 14241 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)N 34a_100000102464_200000696569 [0,2,0,0,0,0|2,0,0]=4 14242 B19R2.507321 Cc1cc(ccc1COCC2CCCCCC2)N 7a_100000102464_200000696569 [0,2,0,0,0,0|2,0,0]=4 14243 B19R2.507321 Cc1cc(ccc1CSCC2CCCCCC2)Br 62a_100000708836_200000696569 [0,2,0,0,0,0|2,0,0]=4 14244 B19R2.507321 Cc1cc(ccc1CSCC2CCCCCC2)Br 62a_200000696569_100000708836 [0,2,0,0,0,0|2,0,0]=4 14245 B19R2.507321 Cc1cc(ccc1CSCC2CCCCCC2)Cl 62a_100012361307_200000696569 [0,2,0,0,0,0|2,0,0]=4 14246 B19R2.507321 Cc1cc(ccc1CSCC2CCCCCC2)Cl 62a_200000696569_100012361307 [0,2,0,0,0,0|2,0,0]=4 14247 B19R2.507321 Cc1cc(ccc1CSCC2CCCCCC2)F 62a_100000700533_200000696569 [0,2,0,0,0,0|2,0,0]=4 14248 B19R2.507321 Cc1cc(ccc1CSCC2CCCCCC2)F 62a_200000696569_100000700533 [0,2,0,0,0,0|2,0,0]=4 14249 B19R2.507321 Cc1ccc(c(c1)Br)CNCC2CCCCCC2 207a_100015204231_100000692596 [0,2,0,0,0,0|2,0,0]=4 14250 B19R2.507321 Cc1ccc(c(c1)Br)CNCC2CCCCCC2 270004a_100015204231_100000692596 [0,2,0,0,0,0|2,0,0]=4 14251 B19R2.507321 Cc1ccc(c(c1)C)CCNC2CCCCCC2 270004a_100000210984_100011754701 [0,2,0,0,0,0|0,0,0]=2 14252 B19R2.507321 Cc1ccc(c(c1)C)CCNC2CCCCCC2 270004a_100000745621_100000210131 [0,2,0,0,0,0|0,0,0]=2 14253 B19R2.507321 Cc1ccc(c(c1)C)CCNC2CCCCCC2 34a_100000745621_100011217769 [0,2,0,0,0,0|0,0,0]=2 14254 B19R2.507321 Cc1ccc(c(c1)C)CCNC2CCCNCC2 270004a_100000745621_100015187895 [0,2,0,0,0,0|1,0,0]=3 14255 B19R2.507321 Cc1ccc(c(c1)C)CCNC2CSCCSC2 270004a_100000745621_100000068409 [0,2,0,0,0,0|2,0,0]=4 14256 B19R2.507321 Cc1ccc(c(c1)C)CNCC2CCCCCC2 207a_100015204231_100000211342 [0,2,0,0,0,0|2,0,0]=4 14257 B19R2.507321 Cc1ccc(c(c1)C)CNCC2CCCCCC2 2230a_100015204231_100011219618 [0,2,0,0,0,0|2,0,0]=4 14258 B19R2.507321 Cc1ccc(c(c1)C)CNCC2CCCCCC2 269862a_100000737523_200000763224 [0,2,0,0,0,0|2,0,0]=4 14259 B19R2.507321 Cc1ccc(c(c1)C)CNCC2CCCCCC2 270004a_100015204231_100000211342 [0,2,0,0,0,0|2,0,0]=4 14260 B19R2.507321 Cc1ccc(c(c1)C)CNCC2CCCCCC2 34a_100000737523_200000696569 [0,2,0,0,0,0|2,0,0]=4 14261 B19R2.507321 Cc1ccc(c(c1)C)CNCC2CCCCCC2 34a_100015204231_100011219618 [0,2,0,0,0,0|2,0,0]=4 14262 B19R2.507321 Cc1ccc(c(c1)C)COCC2CCCCCC2 34a_100000699130_100011219618 [0,2,0,0,0,0|2,0,0]=4 14263 B19R2.507321 Cc1ccc(c(c1)C)COCC2CCCCCC2 34a_100011215341_200000696569 [0,2,0,0,0,0|2,0,0]=4 14264 B19R2.507321 Cc1ccc(c(c1)C)COCC2CCCCCC2 7a_100000699130_100011219618 [0,2,0,0,0,0|2,0,0]=4 14265 B19R2.507321 Cc1ccc(c(c1)C)COCC2CCCCCC2 7a_100011215341_200000696569 [0,2,0,0,0,0|2,0,0]=4 14266 B19R2.507321 Cc1ccc(c(c1)C)CSCC2CCCCCC2 62a_100011219618_200000696569 [0,2,0,0,0,0|2,0,0]=4 14267 B19R2.507321 Cc1ccc(c(c1)C)CSCC2CCCCCC2 62a_200000696569_100011219618 [0,2,0,0,0,0|2,0,0]=4 14268 B19R2.507321 Cc1ccc(c(c1)Cl)CNCC2CCCCCC2 207a_100015204231_100011935181 [0,2,0,0,0,0|2,0,0]=4 14269 B19R2.507321 Cc1ccc(c(c1)Cl)CNCC2CCCCCC2 2230a_100015204231_100012349684 [0,2,0,0,0,0|2,0,0]=4 14270 B19R2.507321 Cc1ccc(c(c1)Cl)CNCC2CCCCCC2 269862a_100011997539_200000763224 [0,2,0,0,0,0|2,0,0]=4 14271 B19R2.507321 Cc1ccc(c(c1)Cl)CNCC2CCCCCC2 270004a_100015204231_100011935181 [0,2,0,0,0,0|2,0,0]=4 14272 B19R2.507321 Cc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_100011997539_200000696569 [0,2,0,0,0,0|2,0,0]=4 14273 B19R2.507321 Cc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_100015204231_100012349684 [0,2,0,0,0,0|2,0,0]=4 14274 B19R2.507321 Cc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100000699130_100012349684 [0,2,0,0,0,0|2,0,0]=4 14275 B19R2.507321 Cc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100000720314_200000696569 [0,2,0,0,0,0|2,0,0]=4 14276 B19R2.507321 Cc1ccc(c(c1)Cl)COCC2CCCCCC2 7a_100000699130_100012349684 [0,2,0,0,0,0|2,0,0]=4 14277 B19R2.507321 Cc1ccc(c(c1)Cl)COCC2CCCCCC2 7a_100000720314_200000696569 [0,2,0,0,0,0|2,0,0]=4 14278 B19R2.507321 Cc1ccc(c(c1)Cl)CSCC2CCCCCC2 62a_100012349684_200000696569 [0,2,0,0,0,0|2,0,0]=4 14279 B19R2.507321 Cc1ccc(c(c1)Cl)CSCC2CCCCCC2 62a_200000696569_100012349684 [0,2,0,0,0,0|2,0,0]=4 14280 B19R2.507321 Cc1ccc(c(c1)F)CNCC2CCCCCC2 207a_100015204231_100011217368 [0,2,0,0,0,0|2,0,0]=4 14281 B19R2.507321 Cc1ccc(c(c1)F)CNCC2CCCCCC2 2230a_100015204231_100011217900 [0,2,0,0,0,0|2,0,0]=4 14282 B19R2.507321 Cc1ccc(c(c1)F)CNCC2CCCCCC2 269862a_100102887089_200000763224 [0,2,0,0,0,0|2,0,0]=4 14283 B19R2.507321 Cc1ccc(c(c1)F)CNCC2CCCCCC2 270004a_100015204231_100011217368 [0,2,0,0,0,0|2,0,0]=4 14284 B19R2.507321 Cc1ccc(c(c1)F)CNCC2CCCCCC2 34a_100015204231_100012002367 [0,2,0,0,0,0|2,0,0]=4 14285 B19R2.507321 Cc1ccc(c(c1)F)CNCC2CCCCCC2 34a_100102887089_200000696569 [0,2,0,0,0,0|2,0,0]=4 14286 B19R2.507321 Cc1ccc(c(c1)F)COCC2CCCCCC2 34a_100000699130_100012002367 [0,2,0,0,0,0|2,0,0]=4 14287 B19R2.507321 Cc1ccc(c(c1)F)COCC2CCCCCC2 34a_100011216587_200000696569 [0,2,0,0,0,0|2,0,0]=4 14288 B19R2.507321 Cc1ccc(c(c1)F)COCC2CCCCCC2 7a_100000699130_100012002367 [0,2,0,0,0,0|2,0,0]=4 14289 B19R2.507321 Cc1ccc(c(c1)F)COCC2CCCCCC2 7a_100011216587_200000696569 [0,2,0,0,0,0|2,0,0]=4 14290 B19R2.507321 Cc1ccc(c(c1)F)CSCC2CCCCCC2 62a_100011217900_200000696569 [0,2,0,0,0,0|2,0,0]=4 14291 B19R2.507321 Cc1ccc(c(c1)F)CSCC2CCCCCC2 62a_200000696569_100011217900 [0,2,0,0,0,0|2,0,0]=4 14292 B19R2.507321 Cc1ccc(c(c1)I)CNCC2CCCCCC2 207a_100015204231_100010150104 [0,2,0,0,0,0|2,0,0]=4 14293 B19R2.507321 Cc1ccc(c(c1)I)CNCC2CCCCCC2 270004a_100015204231_100010150104 [0,2,0,0,0,0|2,0,0]=4 14294 B19R2.507321 Cc1ccc(c(c1)N)COCC2CCCCCC2 34a_100000087799_200000696569 [0,2,0,0,0,0|2,0,0]=4 14295 B19R2.507321 Cc1ccc(c(c1)N)COCC2CCCCCC2 7a_100000087799_200000696569 [0,2,0,0,0,0|2,0,0]=4 14296 B19R2.507321 Clc1cc(ccc1CCOC2CCCCCC2)Br 34a_100013445822_100011217769 [0,2,0,0,0,0|1,0,0]=3 14297 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)Br 207a_100015204231_100000764164 [0,2,0,0,0,0|2,0,0]=4 14298 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)Br 2230a_100015204231_100011740631 [0,2,0,0,0,0|2,0,0]=4 14299 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)Br 269862a_100020628970_200000763224 [0,2,0,0,0,0|2,0,0]=4 14300 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)Br 270004a_100015204231_100000764164 [0,2,0,0,0,0|2,0,0]=4 14301 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)Br 34a_100015204231_100011740631 [0,2,0,0,0,0|2,0,0]=4 14302 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)Br 34a_100020628970_200000696569 [0,2,0,0,0,0|2,0,0]=4 14303 B19R2.507321 Clc1cc(ccc1CNCC2CCCCCC2)I 207a_100015204231_100000727542 [0,2,0,0,0,0|2,0,0]=4 14304 B19R2.507321 Clc1cc(ccc1COCC2CCCCCC2)Br 34a_100000699130_100011740631 [0,2,0,0,0,0|2,0,0]=4 14305 B19R2.507321 Clc1cc(ccc1COCC2CCCCCC2)Br 34a_100000756401_200000696569 [0,2,0,0,0,0|2,0,0]=4 14306 B19R2.507321 Clc1cc(ccc1COCC2CCCCCC2)Br 7a_100000699130_100011740631 [0,2,0,0,0,0|2,0,0]=4 14307 B19R2.507321 Clc1cc(ccc1COCC2CCCCCC2)Br 7a_100000756401_200000696569 [0,2,0,0,0,0|2,0,0]=4 14308 B19R2.507321 Clc1ccc(c(c1)Br)CCNC2CCCCCC2 2230a_100000210984_200012945151 [0,2,0,0,0,0|0,0,0]=2 14309 B19R2.507321 Clc1ccc(c(c1)Br)CCNC2CCCCCC2 34a_100000210984_200012945151 [0,2,0,0,0,0|0,0,0]=2 14310 B19R2.507321 Clc1ccc(c(c1)Br)CCOC2CCCCCC2 34a_100000210887_200012945151 [0,2,0,0,0,0|1,0,0]=3 14311 B19R2.507321 Clc1ccc(c(c1)Br)CCOC2CCCCCC2 7a_100000210887_200012945151 [0,2,0,0,0,0|1,0,0]=3 14312 B19R2.507321 Clc1ccc(c(c1)Br)CNCC2CCCCCC2 207a_100015204231_100000687667 [0,2,0,0,0,0|2,0,0]=4 14313 B19R2.507321 Clc1ccc(c(c1)Br)CNCC2CCCCCC2 2230a_100015204231_100000755608 [0,2,0,0,0,0|2,0,0]=4 14314 B19R2.507321 Clc1ccc(c(c1)Br)CNCC2CCCCCC2 269862a_100102692131_200000763224 [0,2,0,0,0,0|2,0,0]=4 14315 B19R2.507321 Clc1ccc(c(c1)Br)CNCC2CCCCCC2 270004a_100015204231_100000687667 [0,2,0,0,0,0|2,0,0]=4 14316 B19R2.507321 Clc1ccc(c(c1)Br)CNCC2CCCCCC2 34a_100015204231_100000755608 [0,2,0,0,0,0|2,0,0]=4 14317 B19R2.507321 Clc1ccc(c(c1)Br)CNCC2CCCCCC2 34a_100102692131_200000696569 [0,2,0,0,0,0|2,0,0]=4 14318 B19R2.507321 Clc1ccc(c(c1)Br)COCC2CCCCCC2 34a_100000699130_100000755608 [0,2,0,0,0,0|2,0,0]=4 14319 B19R2.507321 Clc1ccc(c(c1)Br)COCC2CCCCCC2 34a_100000707881_200000696569 [0,2,0,0,0,0|2,0,0]=4 14320 B19R2.507321 Clc1ccc(c(c1)Br)COCC2CCCCCC2 7a_100000699130_100000755608 [0,2,0,0,0,0|2,0,0]=4 14321 B19R2.507321 Clc1ccc(c(c1)Br)COCC2CCCCCC2 7a_100000707881_200000696569 [0,2,0,0,0,0|2,0,0]=4 14322 B19R2.507321 Clc1ccc(c(c1)Cl)CCCN2CCCCCC2 270004a_100000185865_100000765304 [0,2,0,0,0,0|2,0,0]=4 14323 B19R2.507321 Clc1ccc(c(c1)Cl)CCNC2CCCCCC2 2230a_100000210984_200012161198 [0,2,0,0,0,0|0,0,0]=2 14324 B19R2.507321 Clc1ccc(c(c1)Cl)CCNC2CCCCCC2 270004a_100000210994_100000210131 [0,2,0,0,0,0|0,0,0]=2 14325 B19R2.507321 Clc1ccc(c(c1)Cl)CCNC2CCCCCC2 34a_100000210984_200012161198 [0,2,0,0,0,0|0,0,0]=2 14326 B19R2.507321 Clc1ccc(c(c1)Cl)CCNC2CCCCCC2 34a_100000210994_100011217769 [0,2,0,0,0,0|0,0,0]=2 14327 B19R2.507321 Clc1ccc(c(c1)Cl)CCNC2CCCNCC2 270004a_100000210994_100015187895 [0,2,0,0,0,0|1,0,0]=3 14328 B19R2.507321 Clc1ccc(c(c1)Cl)CCNC2CSCCSC2 270004a_100000210994_100000068409 [0,2,0,0,0,0|2,0,0]=4 14329 B19R2.507321 Clc1ccc(c(c1)Cl)CCOC2CCCCCC2 34a_100000210887_200012161198 [0,2,0,0,0,0|1,0,0]=3 14330 B19R2.507321 Clc1ccc(c(c1)Cl)CCOC2CCCCCC2 34a_100011215701_100011217769 [0,2,0,0,0,0|1,0,0]=3 14331 B19R2.507321 Clc1ccc(c(c1)Cl)CCOC2CCCCCC2 7a_100000210887_200012161198 [0,2,0,0,0,0|1,0,0]=3 14332 B19R2.507321 Clc1ccc(c(c1)Cl)CCSC2CCCCCC2 62a_100011217769_200012161198 [0,2,0,0,0,0|1,0,0]=3 14333 B19R2.507321 Clc1ccc(c(c1)Cl)CCSC2CCCCCC2 62a_200012161198_100011217769 [0,2,0,0,0,0|1,0,0]=3 14334 B19R2.507321 Clc1ccc(c(c1)Cl)CNCC2CCCCCC2 207a_100015204231_100000188887 [0,2,0,0,0,0|2,0,0]=4 14335 B19R2.507321 Clc1ccc(c(c1)Cl)CNCC2CCCCCC2 2230a_100015204231_100000188473 [0,2,0,0,0,0|2,0,0]=4 14336 B19R2.507321 Clc1ccc(c(c1)Cl)CNCC2CCCCCC2 269862a_100000174880_200000763224 [0,2,0,0,0,0|2,0,0]=4 14337 B19R2.507321 Clc1ccc(c(c1)Cl)CNCC2CCCCCC2 270004a_100015204231_100000188887 [0,2,0,0,0,0|2,0,0]=4 14338 B19R2.507321 Clc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_100000174880_200000696569 [0,2,0,0,0,0|2,0,0]=4 14339 B19R2.507321 Clc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_100015204231_100000188473 [0,2,0,0,0,0|2,0,0]=4 14340 B19R2.507321 Clc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100000215721_200000696569 [0,2,0,0,0,0|2,0,0]=4 14341 B19R2.507321 Clc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100000699130_100000188473 [0,2,0,0,0,0|2,0,0]=4 14342 B19R2.507321 Clc1ccc(c(c1)Cl)COCC2CCCCCC2 7a_100000215721_200000696569 [0,2,0,0,0,0|2,0,0]=4 14343 B19R2.507321 Clc1ccc(c(c1)Cl)COCC2CCCCCC2 7a_100000699130_100000188473 [0,2,0,0,0,0|2,0,0]=4 14344 B19R2.507321 Clc1ccc(c(c1)I)CNCC2CCCCCC2 2230a_100015204231_100010254388 [0,2,0,0,0,0|2,0,0]=4 14345 B19R2.507321 Clc1ccc(c(c1)I)CNCC2CCCCCC2 34a_100015204231_100010254388 [0,2,0,0,0,0|2,0,0]=4 14346 B19R2.507321 Clc1ccc(c(c1)I)COCC2CCCCCC2 34a_100000699130_100010254388 [0,2,0,0,0,0|2,0,0]=4 14347 B19R2.507321 Clc1ccc(c(c1)I)COCC2CCCCCC2 34a_100000722340_200000696569 [0,2,0,0,0,0|2,0,0]=4 14348 B19R2.507321 Clc1ccc(c(c1)I)COCC2CCCCCC2 7a_100000699130_100010254388 [0,2,0,0,0,0|2,0,0]=4 14349 B19R2.507321 Clc1ccc(c(c1)I)COCC2CCCCCC2 7a_100000722340_200000696569 [0,2,0,0,0,0|2,0,0]=4 14350 B19R2.507321 Fc1cc(ccc1CCNC2CCCCCC2)Cl 270004a_103496529009_100000210131 [0,2,0,0,0,0|0,0,0]=2 14351 B19R2.507321 Fc1cc(ccc1CCNC2CCCCCC2)Cl 34a_103496529009_100011217769 [0,2,0,0,0,0|0,0,0]=2 14352 B19R2.507321 Fc1cc(ccc1CCNC2CCCNCC2)Cl 270004a_103496529009_100015187895 [0,2,0,0,0,0|1,0,0]=3 14353 B19R2.507321 Fc1cc(ccc1CCNC2CSCCSC2)Cl 270004a_103496529009_100000068409 [0,2,0,0,0,0|2,0,0]=4 14354 B19R2.507321 Fc1cc(ccc1CCOC2CCCCCC2)Br 34a_100011962869_100011217769 [0,2,0,0,0,0|1,0,0]=3 14355 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Br 207a_100015204231_100000211676 [0,2,0,0,0,0|2,0,0]=4 14356 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Br 2230a_100015204231_100000211606 [0,2,0,0,0,0|2,0,0]=4 14357 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Br 269862a_100000754580_200000763224 [0,2,0,0,0,0|2,0,0]=4 14358 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Br 270004a_100015204231_100000211676 [0,2,0,0,0,0|2,0,0]=4 14359 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Br 34a_100000754580_200000696569 [0,2,0,0,0,0|2,0,0]=4 14360 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Br 34a_100015204231_100000211606 [0,2,0,0,0,0|2,0,0]=4 14361 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Cl 207a_100015204231_100000697372 [0,2,0,0,0,0|2,0,0]=4 14362 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Cl 2230a_100015204231_100000709361 [0,2,0,0,0,0|2,0,0]=4 14363 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Cl 269862a_100000708496_200000763224 [0,2,0,0,0,0|2,0,0]=4 14364 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Cl 270004a_100015204231_100000697372 [0,2,0,0,0,0|2,0,0]=4 14365 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Cl 34a_100000708496_200000696569 [0,2,0,0,0,0|2,0,0]=4 14366 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)Cl 34a_100015204231_100000709361 [0,2,0,0,0,0|2,0,0]=4 14367 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)I 207a_100015204231_100000050965 [0,2,0,0,0,0|2,0,0]=4 14368 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)I 2230a_100015204231_100010244991 [0,2,0,0,0,0|2,0,0]=4 14369 B19R2.507321 Fc1cc(ccc1CNCC2CCCCCC2)I 34a_100015204231_100010244991 [0,2,0,0,0,0|2,0,0]=4 14370 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Br 34a_100000699130_100000211606 [0,2,0,0,0,0|2,0,0]=4 14371 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Br 34a_100011191541_200000696569 [0,2,0,0,0,0|2,0,0]=4 14372 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Br 7a_100000699130_100000211606 [0,2,0,0,0,0|2,0,0]=4 14373 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Br 7a_100011191541_200000696569 [0,2,0,0,0,0|2,0,0]=4 14374 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Cl 34a_100000699130_100000709361 [0,2,0,0,0,0|2,0,0]=4 14375 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Cl 34a_100011217562_200000696569 [0,2,0,0,0,0|2,0,0]=4 14376 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Cl 7a_100000699130_100000709361 [0,2,0,0,0,0|2,0,0]=4 14377 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)Cl 7a_100011217562_200000696569 [0,2,0,0,0,0|2,0,0]=4 14378 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)I 34a_100000699130_100010244991 [0,2,0,0,0,0|2,0,0]=4 14379 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)I 34a_200010202041_200000696569 [0,2,0,0,0,0|2,0,0]=4 14380 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)I 7a_100000699130_100010244991 [0,2,0,0,0,0|2,0,0]=4 14381 B19R2.507321 Fc1cc(ccc1COCC2CCCCCC2)I 7a_200010202041_200000696569 [0,2,0,0,0,0|2,0,0]=4 14382 B19R2.507321 Fc1cc(ccc1CSCC2CCCCCC2)Br 62a_100000211606_200000696569 [0,2,0,0,0,0|2,0,0]=4 14383 B19R2.507321 Fc1cc(ccc1CSCC2CCCCCC2)Br 62a_200000696569_100000211606 [0,2,0,0,0,0|2,0,0]=4 14384 B19R2.507321 Fc1cc(ccc1CSCC2CCCCCC2)Cl 62a_100000709361_200000696569 [0,2,0,0,0,0|2,0,0]=4 14385 B19R2.507321 Fc1cc(ccc1CSCC2CCCCCC2)Cl 62a_200000696569_100000709361 [0,2,0,0,0,0|2,0,0]=4 14386 B19R2.507321 Fc1cc(ccc1CSCC2CCCCCC2)I 62a_100010244991_200000696569 [0,2,0,0,0,0|2,0,0]=4 14387 B19R2.507321 Fc1cc(ccc1CSCC2CCCCCC2)I 62a_200000696569_100010244991 [0,2,0,0,0,0|2,0,0]=4 14388 B19R2.507321 Fc1ccc(c(c1)Br)CNCC2CCCCCC2 207a_100015204231_100000685661 [0,2,0,0,0,0|2,0,0]=4 14389 B19R2.507321 Fc1ccc(c(c1)Br)CNCC2CCCCCC2 2230a_100015204231_100000243222 [0,2,0,0,0,0|2,0,0]=4 14390 B19R2.507321 Fc1ccc(c(c1)Br)CNCC2CCCCCC2 269862a_100000708791_200000763224 [0,2,0,0,0,0|2,0,0]=4 14391 B19R2.507321 Fc1ccc(c(c1)Br)CNCC2CCCCCC2 270004a_100015204231_100000685661 [0,2,0,0,0,0|2,0,0]=4 14392 B19R2.507321 Fc1ccc(c(c1)Br)CNCC2CCCCCC2 34a_100000708791_200000696569 [0,2,0,0,0,0|2,0,0]=4 14393 B19R2.507321 Fc1ccc(c(c1)Br)CNCC2CCCCCC2 34a_100015204231_100000243222 [0,2,0,0,0,0|2,0,0]=4 14394 B19R2.507321 Fc1ccc(c(c1)Br)COCC2CCCCCC2 34a_100000699130_100000243222 [0,2,0,0,0,0|2,0,0]=4 14395 B19R2.507321 Fc1ccc(c(c1)Br)COCC2CCCCCC2 34a_100000744086_200000696569 [0,2,0,0,0,0|2,0,0]=4 14396 B19R2.507321 Fc1ccc(c(c1)Br)COCC2CCCCCC2 7a_100000699130_100000243222 [0,2,0,0,0,0|2,0,0]=4 14397 B19R2.507321 Fc1ccc(c(c1)Br)COCC2CCCCCC2 7a_100000744086_200000696569 [0,2,0,0,0,0|2,0,0]=4 14398 B19R2.507321 Fc1ccc(c(c1)Br)CSCC2CCCCCC2 62a_100000243222_200000696569 [0,2,0,0,0,0|2,0,0]=4 14399 B19R2.507321 Fc1ccc(c(c1)Br)CSCC2CCCCCC2 62a_200000696569_100000243222 [0,2,0,0,0,0|2,0,0]=4 14400 B19R2.507321 Fc1ccc(c(c1)Cl)CCOC2CCCCCC2 34a_100011962860_100011217769 [0,2,0,0,0,0|1,0,0]=3 14401 B19R2.507321 Fc1ccc(c(c1)Cl)CNCC2CCCCCC2 207a_100015204231_100000752949 [0,2,0,0,0,0|2,0,0]=4 14402 B19R2.507321 Fc1ccc(c(c1)Cl)CNCC2CCCCCC2 2230a_100015204231_100011216360 [0,2,0,0,0,0|2,0,0]=4 14403 B19R2.507321 Fc1ccc(c(c1)Cl)CNCC2CCCCCC2 269862a_100000174946_200000763224 [0,2,0,0,0,0|2,0,0]=4 14404 B19R2.507321 Fc1ccc(c(c1)Cl)CNCC2CCCCCC2 270004a_100015204231_100000752949 [0,2,0,0,0,0|2,0,0]=4 14405 B19R2.507321 Fc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_100000174946_200000696569 [0,2,0,0,0,0|2,0,0]=4 14406 B19R2.507321 Fc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_100015204231_100011216360 [0,2,0,0,0,0|2,0,0]=4 14407 B19R2.507321 Fc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100000699130_100011216360 [0,2,0,0,0,0|2,0,0]=4 14408 B19R2.507321 Fc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100011219954_200000696569 [0,2,0,0,0,0|2,0,0]=4 14409 B19R2.507321 Fc1ccc(c(c1)Cl)COCC2CCCCCC2 7a_100000699130_100011216360 [0,2,0,0,0,0|2,0,0]=4 14410 B19R2.507321 Fc1ccc(c(c1)Cl)COCC2CCCCCC2 7a_100011219954_200000696569 [0,2,0,0,0,0|2,0,0]=4 14411 B19R2.507321 Fc1ccc(c(c1)Cl)CSCC2CCCCCC2 62a_100000187853_200000696569 [0,2,0,0,0,0|2,0,0]=4 14412 B19R2.507321 Fc1ccc(c(c1)Cl)CSCC2CCCCCC2 62a_200000696569_100000187853 [0,2,0,0,0,0|2,0,0]=4 14413 B19R2.507321 Fc1ccc(c(c1)F)CCNC2CCCCCC2 270004a_100000754870_100000210131 [0,2,0,0,0,0|0,0,0]=2 14414 B19R2.507321 Fc1ccc(c(c1)F)CCNC2CCCCCC2 34a_100000754870_100011217769 [0,2,0,0,0,0|0,0,0]=2 14415 B19R2.507321 Fc1ccc(c(c1)F)CCNC2CCCNCC2 270004a_100000754870_100015187895 [0,2,0,0,0,0|1,0,0]=3 14416 B19R2.507321 Fc1ccc(c(c1)F)CCNC2CSCCSC2 270004a_100000754870_100000068409 [0,2,0,0,0,0|2,0,0]=4 14417 B19R2.507321 Fc1ccc(c(c1)F)CCOC2CCCCCC2 34a_100000697962_100011217769 [0,2,0,0,0,0|1,0,0]=3 14418 B19R2.507321 Fc1ccc(c(c1)F)CNCC2CCCCCC2 207a_100015204231_100000211964 [0,2,0,0,0,0|2,0,0]=4 14419 B19R2.507321 Fc1ccc(c(c1)F)CNCC2CCCCCC2 2230a_100015204231_100000748237 [0,2,0,0,0,0|2,0,0]=4 14420 B19R2.507321 Fc1ccc(c(c1)F)CNCC2CCCCCC2 269862a_100000737868_200000763224 [0,2,0,0,0,0|2,0,0]=4 14421 B19R2.507321 Fc1ccc(c(c1)F)CNCC2CCCCCC2 270004a_100015204231_100000211964 [0,2,0,0,0,0|2,0,0]=4 14422 B19R2.507321 Fc1ccc(c(c1)F)CNCC2CCCCCC2 34a_100000737868_200000696569 [0,2,0,0,0,0|2,0,0]=4 14423 B19R2.507321 Fc1ccc(c(c1)F)CNCC2CCCCCC2 34a_100015204231_100000748237 [0,2,0,0,0,0|2,0,0]=4 14424 B19R2.507321 Fc1ccc(c(c1)F)COCC2CCCCCC2 34a_100000699130_100000748237 [0,2,0,0,0,0|2,0,0]=4 14425 B19R2.507321 Fc1ccc(c(c1)F)COCC2CCCCCC2 34a_100011215441_200000696569 [0,2,0,0,0,0|2,0,0]=4 14426 B19R2.507321 Fc1ccc(c(c1)F)COCC2CCCCCC2 7a_100000699130_100000748237 [0,2,0,0,0,0|2,0,0]=4 14427 B19R2.507321 Fc1ccc(c(c1)F)COCC2CCCCCC2 7a_100011215441_200000696569 [0,2,0,0,0,0|2,0,0]=4 14428 B19R2.507321 Fc1ccc(c(c1)F)CSCC2CCCCCC2 62a_100000748237_200000696569 [0,2,0,0,0,0|2,0,0]=4 14429 B19R2.507321 Fc1ccc(c(c1)F)CSCC2CCCCCC2 62a_200000696569_100000748237 [0,2,0,0,0,0|2,0,0]=4 14430 B19R2.507321 Fc1ccc(c(c1)I)CNCC2CCCCCC2 207a_100015204231_100010254405 [0,2,0,0,0,0|2,0,0]=4 14431 B19R2.507321 Fc1ccc(c(c1)I)CNCC2CCCCCC2 2230a_100015204231_100012354799 [0,2,0,0,0,0|2,0,0]=4 14432 B19R2.507321 Fc1ccc(c(c1)I)CNCC2CCCCCC2 34a_100015204231_100012354799 [0,2,0,0,0,0|2,0,0]=4 14433 B19R2.507321 Fc1ccc(c(c1)I)COCC2CCCCCC2 34a_100000699130_100012354799 [0,2,0,0,0,0|2,0,0]=4 14434 B19R2.507321 Fc1ccc(c(c1)I)COCC2CCCCCC2 34a_100011356828_200000696569 [0,2,0,0,0,0|2,0,0]=4 14435 B19R2.507321 Fc1ccc(c(c1)I)COCC2CCCCCC2 7a_100000699130_100012354799 [0,2,0,0,0,0|2,0,0]=4 14436 B19R2.507321 Fc1ccc(c(c1)I)COCC2CCCCCC2 7a_100011356828_200000696569 [0,2,0,0,0,0|2,0,0]=4 14437 B19R2.507321 Fc1ccc(c(c1)I)CSCC2CCCCCC2 62a_100012354799_200000696569 [0,2,0,0,0,0|2,0,0]=4 14438 B19R2.507321 Fc1ccc(c(c1)I)CSCC2CCCCCC2 62a_200000696569_100012354799 [0,2,0,0,0,0|2,0,0]=4 14439 B19R2.507321 Nc1cc(ccc1COCC2CCCCCC2)Br 34a_100000718831_200000696569 [0,2,0,0,0,0|2,0,0]=4 14440 B19R2.507321 Nc1cc(ccc1COCC2CCCCCC2)Br 7a_100000718831_200000696569 [0,2,0,0,0,0|2,0,0]=4 14441 B19R2.507321 Nc1cc(ccc1COCC2CCCCCC2)Cl 34a_100000238622_200000696569 [0,2,0,0,0,0|2,0,0]=4 14442 B19R2.507321 Nc1cc(ccc1COCC2CCCCCC2)Cl 7a_100000238622_200000696569 [0,2,0,0,0,0|2,0,0]=4 14443 B19R2.507321 Nc1cc(ccc1COCC2CCCCCC2)F 34a_100011996588_200000696569 [0,2,0,0,0,0|2,0,0]=4 14444 B19R2.507321 Nc1ccc(c(c1)Cl)COCC2CCCCCC2 34a_100000689119_200000696569 [0,2,0,0,0,0|2,0,0]=4 14445 B19R2.507321 Oc1ccc(c(c1)Cl)CNCC2CCCCCC2 269862a_200161156549_200000763224 [0,2,0,0,0,0|2,0,0]=4 14446 B19R2.507321 Oc1ccc(c(c1)Cl)CNCC2CCCCCC2 34a_200161156549_200000696569 [0,2,0,0,0,0|2,0,0]=4 14447 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Br 2230a_100000181357_200000696569 [0,2,0,0,0,0|2,0,0]=4 14448 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Br 269862a_100000181357_200000763224 [0,2,0,0,0,0|2,0,0]=4 14449 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Br 269862a_100015204231_100000187085 [0,2,0,0,0,0|2,0,0]=4 14450 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Cl 2230a_100000174978_200000696569 [0,2,0,0,0,0|2,0,0]=4 14451 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Cl 2230a_100015204231_100000181259 [0,2,0,0,0,0|2,0,0]=4 14452 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Cl 269862a_100000174978_200000763224 [0,2,0,0,0,0|2,0,0]=4 14453 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Cl 269862a_100015204231_100000210134 [0,2,0,0,0,0|2,0,0]=4 14454 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2Cl 34a_100000174978_200000696569 [0,2,0,0,0,0|2,0,0]=4 14455 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2F 2230a_100000181408_200000696569 [0,2,0,0,0,0|2,0,0]=4 14456 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2F 2230a_100015204231_200000741388 [0,2,0,0,0,0|2,0,0]=4 14457 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2F 269862a_100000181408_200000763224 [0,2,0,0,0,0|2,0,0]=4 14458 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2F 269862a_100015204231_100000210632 [0,2,0,0,0,0|2,0,0]=4 14459 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2F 34a_100000181408_200000696569 [0,2,0,0,0,0|2,0,0]=4 14460 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2F 34a_100015204231_200000741388 [0,2,0,0,0,0|2,0,0]=4 14461 B19R2.594269 CC(NCC1CCCCCC1)c2ccccc2I 269862a_100015204231_100000751169 [0,2,0,0,0,0|2,0,0]=4 14462 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2Br 34a_100000702211_200000696569 [0,2,0,0,0,0|2,0,0]=4 14463 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2Br 7a_100000702211_200000696569 [0,2,0,0,0,0|2,0,0]=4 14464 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2Cl 34a_100000740796_200000696569 [0,2,0,0,0,0|2,0,0]=4 14465 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2Cl 7a_100000699130_100000181259 [0,2,0,0,0,0|2,0,0]=4 14466 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2Cl 7a_100000740796_200000696569 [0,2,0,0,0,0|2,0,0]=4 14467 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2F 34a_100000697922_200000696569 [0,2,0,0,0,0|2,0,0]=4 14468 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2F 34a_100000699130_200000741388 [0,2,0,0,0,0|2,0,0]=4 14469 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2F 7a_100000697922_200000696569 [0,2,0,0,0,0|2,0,0]=4 14470 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2F 7a_100000699130_200000741388 [0,2,0,0,0,0|2,0,0]=4 14471 B19R2.594269 CC(OCC1CCCCCC1)c2ccccc2N 7a_100011405641_200000696569 [0,2,0,0,0,0|2,0,0]=4 14472 B19R2.594269 CC(SCC1CCCCCC1)c2ccccc2F 62a_200000696569_200000741388 [0,2,0,0,0,0|2,0,0]=4 14473 B19R2.594269 CC(SCC1CCCCCC1)c2ccccc2F 62a_200000741388_200000696569 [0,2,0,0,0,0|2,0,0]=4 14474 B19R2.594269 C[C@@H](NCC1CCCCCC1)c2ccccc2O 2230a_100025703389_200000696569 [0,2,0,0,0,0|2,0,0]=4 14475 B19R2.594269 C[C@@H](NCC1CCCCCC1)c2ccccc2O 269862a_100025703389_200000763224 [0,2,0,0,0,0|2,0,0]=4 14476 B19R2.594269 Cc1ccccc1C(=O)CNC2CCCCCC2 2230a_100000210984_100000741374 [0,2,0,0,0,0|0,0,1]=3 14477 B19R2.594269 Cc1ccccc1C(=O)CNC2CCCCCC2 34a_100000210984_100000741374 [0,2,0,0,0,0|0,0,1]=3 14478 B19R2.594269 Cc1ccccc1C(=O)COC2CCCCCC2 34a_100000210887_100000741374 [0,2,0,0,0,0|1,0,1]=4 14479 B19R2.594269 Cc1ccccc1C(=O)COC2CCCCCC2 7a_100000210887_100000741374 [0,2,0,0,0,0|1,0,1]=4 14480 B19R2.594269 Cc1ccccc1C(=O)CSC2CCCCCC2 62a_100000741374_100011217769 [0,2,0,0,0,0|1,0,1]=4 14481 B19R2.594269 Cc1ccccc1C(=O)CSC2CCCCCC2 62a_100011217769_100000741374 [0,2,0,0,0,0|1,0,1]=4 14482 B19R2.594269 Cc1ccccc1C(C)NCC2CCCCCC2 2230a_100000181355_200000696569 [0,2,0,0,0,0|2,0,0]=4 14483 B19R2.594269 Cc1ccccc1C(C)NCC2CCCCCC2 269862a_100000181355_200000763224 [0,2,0,0,0,0|2,0,0]=4 14484 B19R2.594269 Cc1ccccc1C(C)NCC2CCCCCC2 269862a_100015204231_100000211656 [0,2,0,0,0,0|2,0,0]=4 14485 B19R2.594269 Cc1ccccc1C(C)NCC2CCCCCC2 34a_100000181355_200000696569 [0,2,0,0,0,0|2,0,0]=4 14486 B19R2.594269 Cc1ccccc1C(C)OCC2CCCCCC2 34a_100000742021_200000696569 [0,2,0,0,0,0|2,0,0]=4 14487 B19R2.594269 Cc1ccccc1C(C)OCC2CCCCCC2 7a_100000742021_200000696569 [0,2,0,0,0,0|2,0,0]=4 14488 B19R2.594269 NC(COC1CCCCCC1)c2ccccc2Cl 34a_100138412506_100011217769 [0,2,0,0,0,0|1,0,0]=3 14489 B19R2.594269 NC(COC1CCCCCC1)c2ccncc2Cl 34a_200020642286_100011217769 [0,2,0,0,0,0|2,0,0]=4 14490 B19R2.594269 N[C@@H](COC1CCCCCC1)c2ccccc2F 34a_100009818778_100011217769 [0,2,0,0,0,0|1,0,0]=3 14491 B19R2.594269 N[C@H](COC1CCCCCC1)c2ccccc2Br 34a_100161155918_100011217769 [0,2,0,0,0,0|1,0,0]=3 14492 B19R2.594269 O=C(CNC1CCCCCC1)c2ccccc2Br 34a_100000210984_100000199116 [0,2,0,0,0,0|0,0,1]=3 14493 B19R2.594269 O=C(CNC1CCCCCC1)c2ccccc2Cl 34a_100000210984_100000211432 [0,2,0,0,0,0|0,0,1]=3 14494 B19R2.594269 O=C(CNC1CCCCCC1)c2ccccc2F 34a_100000210984_100000204681 [0,2,0,0,0,0|0,0,1]=3 14495 B19R2.594269 O=C(COC1CCCCCC1)c2ccccc2Br 34a_100000210887_100000199116 [0,2,0,0,0,0|1,0,1]=4 14496 B19R2.594269 O=C(COC1CCCCCC1)c2ccccc2Cl 34a_100000210887_100000211432 [0,2,0,0,0,0|1,0,1]=4 14497 B19R2.594269 O=C(COC1CCCCCC1)c2ccccc2F 34a_100000210887_100000204681 [0,2,0,0,0,0|1,0,1]=4 14498 B19R2.594269 O=C(COC1CCCCCC1)c2ccccc2F 7a_100000210887_100000204681 [0,2,0,0,0,0|1,0,1]=4 14499 B19R2.594269 O=C(COC1CCCCCC1)c2ccccc2O 7a_100000210887_100000188908 [0,2,0,0,0,0|1,0,1]=4 14500 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2Br 62a_100000199116_100011217769 [0,2,0,0,0,0|1,0,1]=4 14501 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2Cl 62a_100000211432_100011217769 [0,2,0,0,0,0|1,0,1]=4 14502 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2Cl 62a_100011217769_100000211432 [0,2,0,0,0,0|1,0,1]=4 14503 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2F 62a_100000204681_100011217769 [0,2,0,0,0,0|1,0,1]=4 14504 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2F 62a_100011217769_100000204681 [0,2,0,0,0,0|1,0,1]=4 14505 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2O 62a_100000188908_100011217769 [0,2,0,0,0,0|1,0,1]=4 14506 B19R2.594269 O=C(CSC1CCCCCC1)c2ccccc2O 62a_100011217769_100000188908 [0,2,0,0,0,0|1,0,1]=4 14507 B19R2.594269 OC(CNC1CCCCCC1)c2ccccc2Br 270004a_100011236429_100000210131 [0,2,0,0,0,0|0,0,0]=2 14508 B19R2.594269 OC(CNC1CCCCCC1)c2ccccc2Cl 270004a_200000759403_100000210131 [0,2,0,0,0,0|0,0,0]=2 14509 B19R2.594269 OC(CNC1CCCCCC1)c2ccccc2Cl 34a_200000759403_100011217769 [0,2,0,0,0,0|0,0,0]=2 14510 B19R2.594269 OC(CNC1CCCNCC1)c2ccccc2Br 270004a_100011236429_100015187895 [0,2,0,0,0,0|1,0,0]=3 14511 B19R2.594269 OC(CNC1CCCNCC1)c2ccccc2Cl 270004a_200000759403_100015187895 [0,2,0,0,0,0|1,0,0]=3 14512 B19R2.594269 OC(CNC1CSCCSC1)c2ccccc2Br 270004a_100011236429_100000068409 [0,2,0,0,0,0|2,0,0]=4 14513 B19R2.594269 OC(CNC1CSCCSC1)c2ccccc2Cl 270004a_200000759403_100000068409 [0,2,0,0,0,0|2,0,0]=4 14514 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2Br 2230a_100000704638_100012161201 [0,2,0,0,0,0|0,0,0]=2 14515 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2Br 34a_100000704638_100012161201 [0,2,0,0,0,0|0,0,0]=2 14516 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2Cl 2230a_100000704638_100011713703 [0,2,0,0,0,0|0,0,0]=2 14517 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2Cl 270004a_100000704638_200011713468 [0,2,0,0,0,0|0,0,0]=2 14518 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2Cl 34a_100000704638_100011713703 [0,2,0,0,0,0|0,0,0]=2 14519 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2F 2230a_100000704638_100011713696 [0,2,0,0,0,0|0,0,0]=2 14520 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2F 34a_100000704638_100000720011 [0,2,0,0,0,0|0,0,0]=2 14521 B19R2.596944 CC1(CCCCCC1)NCCc2ccccc2O 34a_100000704638_100000722297 [0,2,0,0,0,0|0,0,0]=2 14522 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2Br 34a_100000708895_100012161201 [0,2,0,0,0,0|1,0,0]=3 14523 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2Br 7a_100000708895_100012161201 [0,2,0,0,0,0|1,0,0]=3 14524 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2Cl 34a_100000708895_100011713703 [0,2,0,0,0,0|1,0,0]=3 14525 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2Cl 7a_100000708895_100011713703 [0,2,0,0,0,0|1,0,0]=3 14526 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2F 34a_100000708895_100000720011 [0,2,0,0,0,0|1,0,0]=3 14527 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2F 7a_100000708895_100000720011 [0,2,0,0,0,0|1,0,0]=3 14528 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2O 34a_100000708895_100000722297 [0,2,0,0,0,0|1,0,0]=3 14529 B19R2.596944 CC1(CCCCCC1)OCCc2ccccc2O 7a_100000708895_100000722297 [0,2,0,0,0,0|1,0,0]=3 14530 B19R2.596944 CC1(CCCNCC1)OCCc2ccccc2Br 34a_100000723723_100012161201 [0,2,0,0,0,0|2,0,0]=4 14531 B19R2.596944 CC1(CCCNCC1)OCCc2ccccc2Cl 34a_100000723723_100011713703 [0,2,0,0,0,0|2,0,0]=4 14532 B19R2.596944 CC1(CCCNCC1)OCCc2ccccc2F 34a_100000723723_100000720011 [0,2,0,0,0,0|2,0,0]=4 14533 B19R2.596944 CC1(CCCNCC1)OCCc2ccccc2O 34a_100000723723_100000722297 [0,2,0,0,0,0|2,0,0]=4 14534 B19R2.596944 Cc1ccccc1CCNC2(CCCCCC2)C 2230a_100000704638_100011713688 [0,2,0,0,0,0|0,0,0]=2 14535 B19R2.596944 Cc1ccccc1CCNC2(CCCCCC2)C 34a_100000704638_100011713688 [0,2,0,0,0,0|0,0,0]=2 14536 B19R2.596944 Cc1ccccc1CCOC2(CCCCCC2)C 34a_100000708895_100011713688 [0,2,0,0,0,0|1,0,0]=3 14537 B19R2.596944 Cc1ccccc1CCOC2(CCCCCC2)C 7a_100000708895_100011713688 [0,2,0,0,0,0|1,0,0]=3 14538 B19R2.596944 Cc1ccccc1CCOC2(CCCNCC2)C 34a_100000723723_100011713688 [0,2,0,0,0,0|2,0,0]=4 14539 B19R2.955512 Brc1cccc(c1CNCC2CCCCCC2)Br 207a_100015204231_100010233043 [0,2,0,0,0,0|2,0,0]=4 14540 B19R2.955512 Brc1cccc(c1CNCC2CCCCCC2)Br 270004a_100015204231_100010233043 [0,2,0,0,0,0|2,0,0]=4 14541 B19R2.955512 Brc1cccc(c1CNCC2CCCCCC2)I 2230a_100015204231_100010146611 [0,2,0,0,0,0|2,0,0]=4 14542 B19R2.955512 Brc1cccc(c1CNCC2CCCCCC2)I 34a_100015204231_100010146611 [0,2,0,0,0,0|2,0,0]=4 14543 B19R2.955512 Brc1cccc(c1COCC2CCCCCC2)Br 34a_100010172814_200000696569 [0,2,0,0,0,0|2,0,0]=4 14544 B19R2.955512 Brc1cccc(c1COCC2CCCCCC2)Br 7a_100010172814_200000696569 [0,2,0,0,0,0|2,0,0]=4 14545 B19R2.955512 Brc1cccc(c1COCC2CCCCCC2)I 34a_100000699130_100010146611 [0,2,0,0,0,0|2,0,0]=4 14546 B19R2.955512 Brc1cccc(c1COCC2CCCCCC2)I 7a_100000699130_100010146611 [0,2,0,0,0,0|2,0,0]=4 14547 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)Br 207a_100015204231_100009881667 [0,2,0,0,0,0|2,0,0]=4 14548 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)Br 2230a_100015204231_100010146847 [0,2,0,0,0,0|2,0,0]=4 14549 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)Br 270004a_100015204231_100009881667 [0,2,0,0,0,0|2,0,0]=4 14550 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)Br 34a_100015204231_100010146847 [0,2,0,0,0,0|2,0,0]=4 14551 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)C 207a_100015204231_100000758299 [0,2,0,0,0,0|2,0,0]=4 14552 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)C 2230a_100015204231_100000758300 [0,2,0,0,0,0|2,0,0]=4 14553 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)C 269862a_100000689800_200000763224 [0,2,0,0,0,0|2,0,0]=4 14554 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)C 270004a_100015204231_100000758299 [0,2,0,0,0,0|2,0,0]=4 14555 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)C 34a_100000689800_200000696569 [0,2,0,0,0,0|2,0,0]=4 14556 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)C 34a_100015204231_100000758300 [0,2,0,0,0,0|2,0,0]=4 14557 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)Cl 207a_100015204231_100000041122 [0,2,0,0,0,0|2,0,0]=4 14558 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)Cl 270004a_100015204231_100000041122 [0,2,0,0,0,0|2,0,0]=4 14559 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)F 207a_100015204231_100000069827 [0,2,0,0,0,0|2,0,0]=4 14560 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)F 2230a_100015204231_100009814554 [0,2,0,0,0,0|2,0,0]=4 14561 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)F 269862a_100000762012_200000763224 [0,2,0,0,0,0|2,0,0]=4 14562 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)F 270004a_100015204231_100000069827 [0,2,0,0,0,0|2,0,0]=4 14563 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)F 34a_100000762012_200000696569 [0,2,0,0,0,0|2,0,0]=4 14564 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)F 34a_100015204231_100009814554 [0,2,0,0,0,0|2,0,0]=4 14565 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)I 2230a_100015204231_100010150146 [0,2,0,0,0,0|2,0,0]=4 14566 B19R2.955512 Cc1cccc(c1CNCC2CCCCCC2)I 34a_100015204231_100010150146 [0,2,0,0,0,0|2,0,0]=4 14567 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)Br 34a_100000699130_100010146847 [0,2,0,0,0,0|2,0,0]=4 14568 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)Br 7a_100000699130_100010146847 [0,2,0,0,0,0|2,0,0]=4 14569 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)C 34a_100000699130_100000758300 [0,2,0,0,0,0|2,0,0]=4 14570 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)C 34a_100011933981_200000696569 [0,2,0,0,0,0|2,0,0]=4 14571 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)C 7a_100000699130_100000758300 [0,2,0,0,0,0|2,0,0]=4 14572 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)C 7a_100011933981_200000696569 [0,2,0,0,0,0|2,0,0]=4 14573 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)Cl 34a_100000082531_200000696569 [0,2,0,0,0,0|2,0,0]=4 14574 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)Cl 7a_100000082531_200000696569 [0,2,0,0,0,0|2,0,0]=4 14575 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)F 34a_100000057874_200000696569 [0,2,0,0,0,0|2,0,0]=4 14576 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)F 34a_100000699130_100009814554 [0,2,0,0,0,0|2,0,0]=4 14577 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)F 7a_100000057874_200000696569 [0,2,0,0,0,0|2,0,0]=4 14578 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)F 7a_100000699130_100009814554 [0,2,0,0,0,0|2,0,0]=4 14579 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)I 34a_100000699130_100010150146 [0,2,0,0,0,0|2,0,0]=4 14580 B19R2.955512 Cc1cccc(c1COCC2CCCCCC2)I 7a_100000699130_100010150146 [0,2,0,0,0,0|2,0,0]=4 14581 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)Br 62a_100010146847_200000696569 [0,2,0,0,0,0|2,0,0]=4 14582 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)Br 62a_200000696569_100010146847 [0,2,0,0,0,0|2,0,0]=4 14583 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)C 62a_100000758300_200000696569 [0,2,0,0,0,0|2,0,0]=4 14584 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)C 62a_200000696569_100000758300 [0,2,0,0,0,0|2,0,0]=4 14585 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)F 62a_100009814554_200000696569 [0,2,0,0,0,0|2,0,0]=4 14586 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)F 62a_200000696569_100009814554 [0,2,0,0,0,0|2,0,0]=4 14587 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)I 62a_100010150146_200000696569 [0,2,0,0,0,0|2,0,0]=4 14588 B19R2.955512 Cc1cccc(c1CSCC2CCCCCC2)I 62a_200000696569_100010150146 [0,2,0,0,0,0|2,0,0]=4 14589 B19R2.955512 Clc1cccc(c1CCNC2CCCCCC2)Cl 2230a_100000210984_100012161200 [0,2,0,0,0,0|0,0,0]=2 14590 B19R2.955512 Clc1cccc(c1CCNC2CCCCCC2)Cl 270004a_100032004868_100000210131 [0,2,0,0,0,0|0,0,0]=2 14591 B19R2.955512 Clc1cccc(c1CCNC2CCCCCC2)Cl 34a_100000210984_100012161200 [0,2,0,0,0,0|0,0,0]=2 14592 B19R2.955512 Clc1cccc(c1CCNC2CCCCCC2)Cl 34a_100032004868_100011217769 [0,2,0,0,0,0|0,0,0]=2 14593 B19R2.955512 Clc1cccc(c1CCNC2CCCNCC2)Cl 270004a_100032004868_100015187895 [0,2,0,0,0,0|1,0,0]=3 14594 B19R2.955512 Clc1cccc(c1CCNC2CSCCSC2)Cl 270004a_100032004868_100000068409 [0,2,0,0,0,0|2,0,0]=4 14595 B19R2.955512 Clc1cccc(c1CCOC2CCCCCC2)Cl 34a_100000210887_100012161200 [0,2,0,0,0,0|1,0,0]=3 14596 B19R2.955512 Clc1cccc(c1CCOC2CCCCCC2)Cl 34a_100011934077_100011217769 [0,2,0,0,0,0|1,0,0]=3 14597 B19R2.955512 Clc1cccc(c1CCOC2CCCCCC2)Cl 7a_100000210887_100012161200 [0,2,0,0,0,0|1,0,0]=3 14598 B19R2.955512 Clc1cccc(c1CCSC2CCCCCC2)Cl 62a_100011217769_100012161200 [0,2,0,0,0,0|1,0,0]=3 14599 B19R2.955512 Clc1cccc(c1CCSC2CCCCCC2)Cl 62a_100012161200_100011217769 [0,2,0,0,0,0|1,0,0]=3 14600 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Br 207a_100015204231_100011249081 [0,2,0,0,0,0|2,0,0]=4 14601 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Br 2230a_100015204231_100010138402 [0,2,0,0,0,0|2,0,0]=4 14602 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Br 270004a_100015204231_100011249081 [0,2,0,0,0,0|2,0,0]=4 14603 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Br 34a_100015204231_100010138402 [0,2,0,0,0,0|2,0,0]=4 14604 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 207a_100015204231_100000189306 [0,2,0,0,0,0|2,0,0]=4 14605 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 2230a_100000174884_200000696569 [0,2,0,0,0,0|2,0,0]=4 14606 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 2230a_100015204231_100000187851 [0,2,0,0,0,0|2,0,0]=4 14607 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 269862a_100000174884_200000763224 [0,2,0,0,0,0|2,0,0]=4 14608 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 270004a_100015204231_100000189306 [0,2,0,0,0,0|2,0,0]=4 14609 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 34a_100000174884_200000696569 [0,2,0,0,0,0|2,0,0]=4 14610 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)Cl 34a_100015204231_100000187851 [0,2,0,0,0,0|2,0,0]=4 14611 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)I 207a_100015204231_100010147682 [0,2,0,0,0,0|2,0,0]=4 14612 B19R2.955512 Clc1cccc(c1CNCC2CCCCCC2)I 270004a_100015204231_100010147682 [0,2,0,0,0,0|2,0,0]=4 14613 B19R2.955512 Clc1cccc(c1COCC2CCCCCC2)Br 34a_100000699130_100010138402 [0,2,0,0,0,0|2,0,0]=4 14614 B19R2.955512 Clc1cccc(c1COCC2CCCCCC2)Br 7a_100000699130_100010138402 [0,2,0,0,0,0|2,0,0]=4 14615 B19R2.955512 Clc1cccc(c1COCC2CCCCCC2)Cl 34a_100000215722_200000696569 [0,2,0,0,0,0|2,0,0]=4 14616 B19R2.955512 Clc1cccc(c1COCC2CCCCCC2)Cl 34a_100000699130_100000187851 [0,2,0,0,0,0|2,0,0]=4 14617 B19R2.955512 Clc1cccc(c1COCC2CCCCCC2)Cl 7a_100000215722_200000696569 [0,2,0,0,0,0|2,0,0]=4 14618 B19R2.955512 Clc1cccc(c1COCC2CCCCCC2)Cl 7a_100000699130_100000187851 [0,2,0,0,0,0|2,0,0]=4 14619 B19R2.955512 Fc1cccc(c1CCNC2CCCCCC2)Cl 270004a_100000688150_100000210131 [0,2,0,0,0,0|0,0,0]=2 14620 B19R2.955512 Fc1cccc(c1CCNC2CCCCCC2)Cl 34a_100000688150_100011217769 [0,2,0,0,0,0|0,0,0]=2 14621 B19R2.955512 Fc1cccc(c1CCNC2CCCNCC2)Cl 270004a_100000688150_100015187895 [0,2,0,0,0,0|1,0,0]=3 14622 B19R2.955512 Fc1cccc(c1CCNC2CSCCSC2)Cl 270004a_100000688150_100000068409 [0,2,0,0,0,0|2,0,0]=4 14623 B19R2.955512 Fc1cccc(c1CCOC2CCCCCC2)Cl 34a_100011273940_100011217769 [0,2,0,0,0,0|1,0,0]=3 14624 B19R2.955512 Fc1cccc(c1CCOC2CCCCCC2)F 34a_100011975733_100011217769 [0,2,0,0,0,0|1,0,0]=3 14625 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Br 207a_100015204231_100000752695 [0,2,0,0,0,0|2,0,0]=4 14626 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Br 2230a_100015204231_100012145669 [0,2,0,0,0,0|2,0,0]=4 14627 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Br 269862a_100012349121_200000763224 [0,2,0,0,0,0|2,0,0]=4 14628 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Br 270004a_100015204231_100000752695 [0,2,0,0,0,0|2,0,0]=4 14629 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Br 34a_100012349121_200000696569 [0,2,0,0,0,0|2,0,0]=4 14630 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Br 34a_100015204231_100012145669 [0,2,0,0,0,0|2,0,0]=4 14631 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Cl 207a_100015204231_100000210083 [0,2,0,0,0,0|2,0,0]=4 14632 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Cl 2230a_100015204231_100000187852 [0,2,0,0,0,0|2,0,0]=4 14633 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Cl 269862a_100000174883_200000763224 [0,2,0,0,0,0|2,0,0]=4 14634 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Cl 270004a_100015204231_100000210083 [0,2,0,0,0,0|2,0,0]=4 14635 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Cl 34a_100000174883_200000696569 [0,2,0,0,0,0|2,0,0]=4 14636 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)Cl 34a_100015204231_100000187852 [0,2,0,0,0,0|2,0,0]=4 14637 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)F 207a_100015204231_100000211061 [0,2,0,0,0,0|2,0,0]=4 14638 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)F 2230a_100015204231_100000698325 [0,2,0,0,0,0|2,0,0]=4 14639 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)F 269862a_100000688400_200000763224 [0,2,0,0,0,0|2,0,0]=4 14640 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)F 270004a_100015204231_100000211061 [0,2,0,0,0,0|2,0,0]=4 14641 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)F 34a_100000688400_200000696569 [0,2,0,0,0,0|2,0,0]=4 14642 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)F 34a_100015204231_100000698325 [0,2,0,0,0,0|2,0,0]=4 14643 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)I 207a_100015204231_100010178011 [0,2,0,0,0,0|2,0,0]=4 14644 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)I 2230a_100015204231_100010149602 [0,2,0,0,0,0|2,0,0]=4 14645 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)I 270004a_100015204231_100010178011 [0,2,0,0,0,0|2,0,0]=4 14646 B19R2.955512 Fc1cccc(c1CNCC2CCCCCC2)I 34a_100015204231_100010149602 [0,2,0,0,0,0|2,0,0]=4 14647 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Br 34a_100000699130_100012145669 [0,2,0,0,0,0|2,0,0]=4 14648 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Br 34a_100012355691_200000696569 [0,2,0,0,0,0|2,0,0]=4 14649 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Br 7a_100000699130_100000696636 [0,2,0,0,0,0|2,0,0]=4 14650 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Br 7a_100012355691_200000696569 [0,2,0,0,0,0|2,0,0]=4 14651 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Cl 34a_100000215723_200000696569 [0,2,0,0,0,0|2,0,0]=4 14652 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Cl 34a_100000699130_100000187852 [0,2,0,0,0,0|2,0,0]=4 14653 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Cl 7a_100000215723_200000696569 [0,2,0,0,0,0|2,0,0]=4 14654 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)Cl 7a_100000699130_100000187852 [0,2,0,0,0,0|2,0,0]=4 14655 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)F 34a_100000698215_200000696569 [0,2,0,0,0,0|2,0,0]=4 14656 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)F 34a_100000699130_100000698325 [0,2,0,0,0,0|2,0,0]=4 14657 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)F 7a_100000698215_200000696569 [0,2,0,0,0,0|2,0,0]=4 14658 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)F 7a_100000699130_100000698325 [0,2,0,0,0,0|2,0,0]=4 14659 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)I 34a_100000699130_100010149602 [0,2,0,0,0,0|2,0,0]=4 14660 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)I 34a_100010214973_200000696569 [0,2,0,0,0,0|2,0,0]=4 14661 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)I 7a_100000699130_100010149602 [0,2,0,0,0,0|2,0,0]=4 14662 B19R2.955512 Fc1cccc(c1COCC2CCCCCC2)I 7a_100010214973_200000696569 [0,2,0,0,0,0|2,0,0]=4 14663 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)Br 62a_100012145669_200000696569 [0,2,0,0,0,0|2,0,0]=4 14664 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)Br 62a_200000696569_100012145669 [0,2,0,0,0,0|2,0,0]=4 14665 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)Cl 62a_100000187852_200000696569 [0,2,0,0,0,0|2,0,0]=4 14666 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)Cl 62a_200000696569_100000187852 [0,2,0,0,0,0|2,0,0]=4 14667 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)F 62a_100000709179_200000696569 [0,2,0,0,0,0|2,0,0]=4 14668 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)F 62a_200000696569_100000698325 [0,2,0,0,0,0|2,0,0]=4 14669 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)I 62a_100010149602_200000696569 [0,2,0,0,0,0|2,0,0]=4 14670 B19R2.955512 Fc1cccc(c1CSCC2CCCCCC2)I 62a_200000696569_100010149602 [0,2,0,0,0,0|2,0,0]=4 14671 B19R2.955512 Nc1cccc(c1COCC2CCCCCC2)Br 34a_100000747656_200000696569 [0,2,0,0,0,0|2,0,0]=4 14672 B19R2.955512 Nc1cccc(c1COCC2CCCCCC2)Cl 34a_100011916388_200000696569 [0,2,0,0,0,0|2,0,0]=4 14673 B19R2.955512 Nc1cccc(c1COCC2CCCCCC2)F 34a_100011846719_200000696569 [0,2,0,0,0,0|2,0,0]=4 14674 B19R2.113780 CC(C[n+]1ccccc1)NC2(CCCCCC2)C 270004a_100000704638_100000034229 [0,2,0,0,0,0|1,0,0]=3 14675 B19R2.113780 CC(Cc1ccccc1)NC2(CCCCCC2)C 34a_100000704638_200011218536 [0,2,0,0,0,0|0,0,0]=2 14676 B19R2.113780 CC(Cc1ccccc1)OC2(CCCCCC2)C 34a_100000708895_200011218536 [0,2,0,0,0,0|1,0,0]=3 14677 B19R2.113780 CC(Cc1ccccc1)OC2(CCCCCC2)C 7a_100000708895_200011218536 [0,2,0,0,0,0|1,0,0]=3 14678 B19R2.113780 CC(Cc1ccccc1)OC2(CCCNCC2)C 34a_100000723723_200011218536 [0,2,0,0,0,0|2,0,0]=4 14679 B19R2.113780 CC(Cc1cccnc1)NC2(CCCCCC2)C 270004a_100000704638_100015187140 [0,2,0,0,0,0|1,0,0]=3 14680 B19R2.113780 CC(Cc1ccncc1)NC2(CCCCCC2)C 270004a_100000704638_100000238508 [0,2,0,0,0,0|1,0,0]=3 14681 B19R2.113780 CC(Cc1cnccn1)NC2(CCCCCC2)C 270004a_100000704638_100015184882 [0,2,0,0,0,0|2,0,0]=4 14682 B19R2.113780 CC1(CCCCCC1)NC(=O)C[n+]2ccccc2 11a_100000704638_200000086051 [0,2,0,0,0,0|1,0,1]=4 14683 B19R2.113780 CC1(CCCCCC1)NC(=O)C[n+]2ccccc2 240690a_100000704638_200000086051 [0,2,0,0,0,0|1,0,1]=4 14684 B19R2.113780 CC1(CCCCCC1)NC(=O)C[n+]2ccccc2 527a_100000704638_200000086051 [0,2,0,0,0,0|1,0,1]=4 14685 B19R2.113780 CC1(CCCCCC1)NC(=O)Cc2ccccn2 11a_100000704638_100000233486 [0,2,0,0,0,0|1,0,1]=4 14686 B19R2.113780 CC1(CCCCCC1)NC(=O)Cc2cccnc2 11a_100000704638_100000737805 [0,2,0,0,0,0|1,0,1]=4 14687 B19R2.113780 CC1(CCCCCC1)NC(=O)Cc2cccnc2 240690a_100000704638_100000737805 [0,2,0,0,0,0|1,0,1]=4 14688 B19R2.113780 CC1(CCCCCC1)NC(=O)Cc2cccnc2 527a_100000704638_100000737805 [0,2,0,0,0,0|1,0,1]=4 14689 B19R2.113780 CC1(CCCCCC1)NC(=O)Cc2ccncc2 11a_100000704638_100011201483 [0,2,0,0,0,0|1,0,1]=4 14690 B19R2.113780 CC1(CCCCCC1)NC(=O)Cc2ccncc2 240690a_100000704638_100011201483 [0,2,0,0,0,0|1,0,1]=4 14691 B19R2.113780 CC1(CCCCCC1)NC(=O)Nc2ccccc2 2430a_100000106764_100000704638 [0,2,0,0,0,0|1,0,1]=4 14692 B19R2.151823 CC(Cc1ccc(cc1)Br)NC2CCCCCC2 270004a_100000210984_100000691760 [0,2,0,0,0,0|0,0,0]=2 14693 B19R2.151823 CC(Cc1ccc(cc1)Cl)NC2CCCCCC2 270004a_100000210984_100000747806 [0,2,0,0,0,0|0,0,0]=2 14694 B19R2.151823 CC(Cc1ccc(cc1)F)NC2CCCCCC2 270004a_100000210984_100000745281 [0,2,0,0,0,0|0,0,0]=2 14695 B19R2.151823 CC(Cc1ccc(cc1)F)OC2CCCCCC2 34a_100011351027_100011217769 [0,2,0,0,0,0|1,0,0]=3 14696 B19R2.151823 CC(Cc1ccc(cc1)O)NC2CCCCCC2 270004a_100000210984_100011218180 [0,2,0,0,0,0|0,0,0]=2 14697 B19R2.151823 CC(Cc1ccc(cc1)O)NC2CCCCCC2 270004a_100102634573_100000210131 [0,2,0,0,0,0|0,0,0]=2 14698 B19R2.151823 CC(Cc1ccc(cc1)O)NC2CCCCCC2 34a_100102634573_100011217769 [0,2,0,0,0,0|0,0,0]=2 14699 B19R2.151823 CC(Cc1ccc(cc1)O)NC2CCCNCC2 270004a_100102634573_100015187895 [0,2,0,0,0,0|1,0,0]=3 14700 B19R2.151823 CC(Cc1ccc(cc1)O)NC2CSCCSC2 270004a_100102634573_100000068409 [0,2,0,0,0,0|2,0,0]=4 14701 B19R2.151823 CN(Cc1ccc(cc1)Br)CC2CCCCCC2 2230a_100000180866_200000696569 [0,2,0,0,0,0|2,0,0]=4 14702 B19R2.151823 CN(Cc1ccc(cc1)Br)CC2CCCCCC2 269982a_100000180866_200000696569 [0,2,0,0,0,0|2,0,0]=4 14703 B19R2.151823 CN(Cc1ccc(cc1)Cl)CC2CCCCCC2 2230a_100000184517_200000696569 [0,2,0,0,0,0|2,0,0]=4 14704 B19R2.151823 CN(Cc1ccc(cc1)Cl)CC2CCCCCC2 269982a_100000184517_200000696569 [0,2,0,0,0,0|2,0,0]=4 14705 B19R2.151823 CN(Cc1ccc(cc1)Cl)CC2CCCCCC2 34a_100000184517_200000696569 [0,2,0,0,0,0|2,0,0]=4 14706 B19R2.151823 CN(Cc1ccc(cc1)F)CC2CCCCCC2 2230a_100000184576_200000696569 [0,2,0,0,0,0|2,0,0]=4 14707 B19R2.151823 CN(Cc1ccc(cc1)F)CC2CCCCCC2 269982a_100000184576_200000696569 [0,2,0,0,0,0|2,0,0]=4 14708 B19R2.151823 CN(Cc1ccc(cc1)F)CC2CCCCCC2 34a_100000184576_200000696569 [0,2,0,0,0,0|2,0,0]=4 14709 B19R2.151823 CN(Cc1ccc(cc1)O)CC2CCCCCC2 2230a_100000207500_200000696569 [0,2,0,0,0,0|2,0,0]=4 14710 B19R2.151823 CN(Cc1ccc(cc1)O)CC2CCCCCC2 269982a_100000207500_200000696569 [0,2,0,0,0,0|2,0,0]=4 14711 B19R2.151823 Cc1ccc(cc1)CC(=O)CC2CCCCCC2 1458a_100000212244_200000696569 [0,2,0,0,0,0|1,0,1]=4 14712 B19R2.151823 Cc1ccc(cc1)CC(=O)CC2CCCCCC2 1458a_100000685095_100000210814 [0,2,0,0,0,0|1,0,1]=4 14713 B19R2.151823 Cc1ccc(cc1)CC(=O)NC2CCCCCC2 11a_100000210984_100000212244 [0,2,0,0,0,0|0,0,1]=3 14714 B19R2.151823 Cc1ccc(cc1)CC(=O)NC2CCCCCC2 240690a_100000210984_100000212244 [0,2,0,0,0,0|0,0,1]=3 14715 B19R2.151823 Cc1ccc(cc1)CC(=O)NC2CCCCCC2 527a_100000210984_100000212244 [0,2,0,0,0,0|0,0,1]=3 14716 B19R2.151823 Cc1ccc(cc1)CC(C)NC2CCCCCC2 270004a_100000210984_100000751045 [0,2,0,0,0,0|0,0,0]=2 14717 B19R2.151823 Cc1ccc(cc1)CN(C)CC2CCCCCC2 2230a_100000744650_200000696569 [0,2,0,0,0,0|2,0,0]=4 14718 B19R2.151823 Cc1ccc(cc1)CN(C)CC2CCCCCC2 269982a_100000744650_200000696569 [0,2,0,0,0,0|2,0,0]=4 14719 B19R2.151823 Cc1ccc(cc1)CN(C)CC2CCCCCC2 34a_100000744650_200000696569 [0,2,0,0,0,0|2,0,0]=4 14720 B19R2.151823 Cc1ccc(cc1)NC(=O)NC2CCCCCC2 2430a_100000124888_100000210984 [0,2,0,0,0,0|1,0,1]=4 14721 B19R2.151823 Cc1ccc(cn1)CC(=O)NC2CCCCCC2 11a_100000210984_100000740413 [0,2,0,0,0,0|1,0,1]=4 14722 B19R2.151823 Cc1ccc(cn1)CC(=O)NC2CCCCCC2 1626a_100000210984_100000740413 [0,2,0,0,0,0|1,0,1]=4 14723 B19R2.151823 Cc1ccc(cn1)CC(=O)NC2CCCCCC2 240690a_100000210984_100000740413 [0,2,0,0,0,0|1,0,1]=4 14724 B19R2.151823 Cc1ccc(cn1)CC(=O)NC2CCCCCC2 527a_100000210984_100000740413 [0,2,0,0,0,0|1,0,1]=4 14725 B19R2.151823 Cc1ccc(nc1)CC(=O)NC2CCCCCC2 11a_100000210984_100025705728 [0,2,0,0,0,0|1,0,1]=4 14726 B19R2.151823 Cc1ccc(nc1)CC(=O)NC2CCCCCC2 1626a_100000210984_100025705728 [0,2,0,0,0,0|1,0,1]=4 14727 B19R2.151823 Cc1ccc(nc1)CC(=O)NC2CCCCCC2 240690a_100000210984_100025705728 [0,2,0,0,0,0|1,0,1]=4 14728 B19R2.151823 O=C(Cc1ccc(cc1)Br)CC2CCCCCC2 1458a_100000198978_200000696569 [0,2,0,0,0,0|1,0,1]=4 14729 B19R2.151823 O=C(Cc1ccc(cc1)Br)CC2CCCCCC2 1458a_100000685095_100000189115 [0,2,0,0,0,0|1,0,1]=4 14730 B19R2.151823 O=C(Cc1ccc(cc1)Br)NC2CCCCCC2 11a_100000210984_100000198978 [0,2,0,0,0,0|0,0,1]=3 14731 B19R2.151823 O=C(Cc1ccc(cc1)Br)NC2CCCCCC2 240690a_100000210984_100000198978 [0,2,0,0,0,0|0,0,1]=3 14732 B19R2.151823 O=C(Cc1ccc(cc1)Br)NC2CCCCCC2 527a_100000210984_100000198978 [0,2,0,0,0,0|0,0,1]=3 14733 B19R2.151823 O=C(Cc1ccc(cc1)Cl)CC2CCCCCC2 1458a_100000211027_200000696569 [0,2,0,0,0,0|1,0,1]=4 14734 B19R2.151823 O=C(Cc1ccc(cc1)Cl)CC2CCCCCC2 1458a_100000685095_100000694040 [0,2,0,0,0,0|1,0,1]=4 14735 B19R2.151823 O=C(Cc1ccc(cc1)Cl)NC2CCCCCC2 11a_100000210984_100000211027 [0,2,0,0,0,0|0,0,1]=3 14736 B19R2.151823 O=C(Cc1ccc(cc1)Cl)NC2CCCCCC2 240690a_100000210984_100000211027 [0,2,0,0,0,0|0,0,1]=3 14737 B19R2.151823 O=C(Cc1ccc(cc1)Cl)NC2CCCCCC2 527a_100000210984_100000211027 [0,2,0,0,0,0|0,0,1]=3 14738 B19R2.151823 O=C(Cc1ccc(cc1)F)CC2CCCCCC2 1458a_100000210951_200000696569 [0,2,0,0,0,0|1,0,1]=4 14739 B19R2.151823 O=C(Cc1ccc(cc1)F)CC2CCCCCC2 1458a_100000685095_100000198546 [0,2,0,0,0,0|1,0,1]=4 14740 B19R2.151823 O=C(Cc1ccc(cc1)F)NC2CCCCCC2 11a_100000210984_100000210951 [0,2,0,0,0,0|0,0,1]=3 14741 B19R2.151823 O=C(Cc1ccc(cc1)F)NC2CCCCCC2 1626a_100000210984_100000210951 [0,2,0,0,0,0|0,0,1]=3 14742 B19R2.151823 O=C(Cc1ccc(cc1)F)NC2CCCCCC2 240690a_100000210984_100000210951 [0,2,0,0,0,0|0,0,1]=3 14743 B19R2.151823 O=C(Cc1ccc(cc1)F)NC2CCCCCC2 527a_100000210984_100000210951 [0,2,0,0,0,0|0,0,1]=3 14744 B19R2.151823 O=C(Cc1ccc(cc1)I)CC2CCCCCC2 1458a_100000685095_100000189116 [0,2,0,0,0,0|1,0,1]=4 14745 B19R2.151823 O=C(Cc1ccc(cc1)I)CC2CCCCCC2 1458a_100000688869_200000696569 [0,2,0,0,0,0|1,0,1]=4 14746 B19R2.151823 O=C(Cc1ccc(cc1)I)NC2CCCCCC2 11a_100000210984_100000688869 [0,2,0,0,0,0|0,0,1]=3 14747 B19R2.151823 O=C(Cc1ccc(cc1)I)NC2CCCCCC2 1626a_100000210984_100000688869 [0,2,0,0,0,0|0,0,1]=3 14748 B19R2.151823 O=C(Cc1ccc(cc1)I)NC2CCCCCC2 240690a_100000210984_100000688869 [0,2,0,0,0,0|0,0,1]=3 14749 B19R2.151823 O=C(Cc1ccc(cc1)I)NC2CCCCCC2 527a_100000210984_100000688869 [0,2,0,0,0,0|0,0,1]=3 14750 B19R2.151823 O=C(Cc1ccc(cc1)O)CC2CCCCCC2 1458a_100000198540_200000696569 [0,2,0,0,0,0|1,0,1]=4 14751 B19R2.151823 O=C(Cc1ccc(cc1)O)NC2CCCCCC2 1626a_100000210984_100000198540 [0,2,0,0,0,0|0,0,1]=3 14752 B19R2.151823 O=C(Cc1ccc(cc1)O)NC2CCCCCC2 240690a_100000210984_100000198540 [0,2,0,0,0,0|0,0,1]=3 14753 B19R2.151823 O=C(Cc1ccc(cc1)O)NC2CCCCCC2 527a_100000210984_100000198540 [0,2,0,0,0,0|0,0,1]=3 14754 B19R2.151823 O=C(Cc1ccc(cn1)Br)NC2CCCCCC2 11a_100000210984_100020629044 [0,2,0,0,0,0|1,0,1]=4 14755 B19R2.151823 O=C(Cc1ccc(cn1)Br)NC2CCCCCC2 240690a_100000210984_100020629044 [0,2,0,0,0,0|1,0,1]=4 14756 B19R2.151823 O=C(Cc1ccc(cn1)Cl)NC2CCCCCC2 11a_100000210984_100000728320 [0,2,0,0,0,0|1,0,1]=4 14757 B19R2.151823 O=C(Cc1ccc(cn1)Cl)NC2CCCCCC2 1626a_100000210984_100000728320 [0,2,0,0,0,0|1,0,1]=4 14758 B19R2.151823 O=C(Cc1ccc(cn1)Cl)NC2CCCCCC2 240690a_100000210984_100000728320 [0,2,0,0,0,0|1,0,1]=4 14759 B19R2.151823 O=C(Cc1ccc(cn1)Cl)NC2CCCCCC2 527a_100000210984_100000728320 [0,2,0,0,0,0|1,0,1]=4 14760 B19R2.151823 O=C(Cc1ccc(nc1)Br)NC2CCCCCC2 11a_100000210984_100010067268 [0,2,0,0,0,0|1,0,1]=4 14761 B19R2.151823 O=C(Cc1ccc(nc1)Br)NC2CCCCCC2 240690a_100000210984_100010067268 [0,2,0,0,0,0|1,0,1]=4 14762 B19R2.151823 O=C(Cc1ccc(nc1)Br)NC2CCCCCC2 527a_100000210984_100010067268 [0,2,0,0,0,0|1,0,1]=4 14763 B19R2.151823 O=C(Cc1ccc(nc1)Cl)NC2CCCCCC2 11a_100000210984_100000061944 [0,2,0,0,0,0|1,0,1]=4 14764 B19R2.151823 O=C(Cc1ccc(nc1)Cl)NC2CCCCCC2 1626a_100000210984_100000061944 [0,2,0,0,0,0|1,0,1]=4 14765 B19R2.151823 O=C(Cc1ccc(nc1)Cl)NC2CCCCCC2 240690a_100000210984_100000061944 [0,2,0,0,0,0|1,0,1]=4 14766 B19R2.151823 O=C(Cc1ccc(nc1)Cl)NC2CCCCCC2 527a_100000210984_100000061944 [0,2,0,0,0,0|1,0,1]=4 14767 B19R2.151823 O=C(Cn1ccc(=O)cc1)NC2CCCCCC2 11a_100000210984_200000238563 [0,2,0,0,0,0|1,0,1]=4 14768 B19R2.151823 O=C(Cn1ccc(=O)cc1)NC2CCCCCC2 1626a_100000210984_200000238563 [0,2,0,0,0,0|1,0,1]=4 14769 B19R2.151823 O=C(Cn1ccc(=O)cc1)NC2CCCCCC2 240690a_100000210984_200000238563 [0,2,0,0,0,0|1,0,1]=4 14770 B19R2.151823 O=C(Cn1ccc(=O)cc1)NC2CCCCCC2 527a_100000210984_200000238563 [0,2,0,0,0,0|1,0,1]=4 14771 B19R2.151823 O=C(Nc1ccc(cc1)Br)NC2CCCCCC2 2430a_100000210018_100000210984 [0,2,0,0,0,0|1,0,1]=4 14772 B19R2.151823 O=C(Nc1ccc(cc1)Cl)NC2CCCCCC2 2430a_100000210052_100000210984 [0,2,0,0,0,0|1,0,1]=4 14773 B19R2.151823 O=C(Nc1ccc(cc1)F)NC2CCCCCC2 2430a_100000185862_100000210984 [0,2,0,0,0,0|1,0,1]=4 14774 B19R2.151823 O=C(Nc1ccc(cc1)I)NC2CCCCCC2 2430a_100000185761_100000210984 [0,2,0,0,0,0|1,0,1]=4 14775 B19R2.151823 O=C(Nc1ccc(cc1)O)NC2CCCCCC2 2430a_100000185829_100000210984 [0,2,0,0,0,0|1,0,1]=4 14776 B19R2.209443 C#CC(Cc1ccccc1)OC2CCCCCC2 34a_100000685211_100011217769 [0,2,0,0,0,0|1,0,0]=3 14777 B19R2.209443 CCC(Cc1ccccc1)NC2CCCCCC2 270004a_100000210984_100000212045 [0,2,0,0,0,0|0,0,0]=2 14778 B19R2.209443 CCN(Cc1ccccc1)CC2CCCCCC2 2230a_100000186914_200000696569 [0,2,0,0,0,0|2,0,0]=4 14779 B19R2.209443 CCN(Cc1ccccc1)CC2CCCCCC2 269982a_100000186914_200000696569 [0,2,0,0,0,0|2,0,0]=4 14780 B19R2.209443 N#CC(Cc1ccccc1)OC2CCCCCC2 7a_100000210887_100000183401 [0,2,0,0,0,0|1,0,0]=3 14781 B19R2.209443 N#CC(Cc1ccccc1)SC2CCCCCC2 62a_100000183401_100011217769 [0,2,0,0,0,0|1,0,0]=3 14782 B19R2.209443 N#CC(Cc1ccccc1)SC2CCCCCC2 62a_100011217769_100000183401 [0,2,0,0,0,0|1,0,0]=3 14783 B19R2.209443 NCC(Cc1ccccc1)OC2CCCCCC2 34a_100000752270_100011217769 [0,2,0,0,0,0|1,0,0]=3 14784 B19R2.209443 OCC(Cc1ccccc1)NC2CCCCCC2 270004a_100000739027_100000210131 [0,2,0,0,0,0|0,0,0]=2 14785 B19R2.209443 OCC(Cc1ccccc1)NC2CCCNCC2 270004a_100000739027_100015187895 [0,2,0,0,0,0|1,0,0]=3 14786 B19R2.209443 OCC(Cc1ccccc1)NC2CSCCSC2 270004a_100000739027_100000068409 [0,2,0,0,0,0|2,0,0]=4 14787 B19R2.209443 OCC(Cc1cccnc1)NC2CCCCCC2 270004a_100000717814_100000210131 [0,2,0,0,0,0|1,0,0]=3 14788 B19R2.209443 OCC(Cc1cccnc1)NC2CCCNCC2 270004a_100000717814_100015187895 [0,2,0,0,0,0|2,0,0]=4 14789 B19R2.209443 OCC(Cc1ccncc1)NC2CCCCCC2 270004a_100000717866_100000210131 [0,2,0,0,0,0|1,0,0]=3 14790 B19R2.209443 OCC(Cc1ccncc1)NC2CCCNCC2 270004a_100000717866_100015187895 [0,2,0,0,0,0|2,0,0]=4 14791 B19R2.496577 FC(F)(Oc1ccccc1)OC2CCCCCC2 7a_100000210887_200000057402 [0,2,0,0,0,0|2,0,0]=4 14792 B19R2.496577 FC(F)(Oc1ccccc1)SC2CCCCCC2 62a_100011217769_200000057402 [0,2,0,0,0,0|2,0,0]=4 14793 B19R2.496577 FC(F)(Oc1ccccc1)SC2CCCCCC2 62a_200000057402_100011217769 [0,2,0,0,0,0|2,0,0]=4 14794 B19R2.496577 O=S(=O)(Cc1ccccc1)NC2CCCCCC2 270084a_100000210984_100000211737 [0,2,0,0,0,0|1,0,0]=3 14795 B19R2.496577 O=S(=O)(Cc1ccccc1)NC2CCCCCC2 274078a_100000210984_100000211737 [0,2,0,0,0,0|1,0,0]=3 14796 B19R2.496577 O=S(=O)(Cc1ccccc1)NC2CCCCCC2 40a_100000210984_100000235865 [0,2,0,0,0,0|1,0,0]=3 14797 B19R2.1033353 C=C(C(=O)NC1CCCCCC1)c2ccccc2 1626a_100000210984_100000065200 [0,2,0,0,0,0|0,0,2]=4 14798 B19R2.1033353 CC(C(=O)CC1CCCCCC1)c2ccccc2 1458a_100000685095_100000230085 [0,2,0,0,0,0|1,0,1]=4 14799 B19R2.1033353 CC(C(=O)NC1CCCCCC1)c2ccccn2 11a_100000210984_100000722050 [0,2,0,0,0,0|1,0,1]=4 14800 B19R2.1033353 CC(C(=O)NC1CCCCCC1)c2ccccn2 1626a_100000210984_100000722050 [0,2,0,0,0,0|1,0,1]=4 14801 B19R2.1033353 CC(C(=O)NC1CCCCCC1)c2ccccn2 240690a_100000210984_100000722050 [0,2,0,0,0,0|1,0,1]=4 14802 B19R2.1033353 CC(C(=O)NC1CCCCCC1)c2ccccn2 527a_100000210984_100000722050 [0,2,0,0,0,0|1,0,1]=4 14803 B19R2.1033353 CC(NC1CCCCCC1)C(=O)c2ccccc2 2230a_100000210984_100000239700 [0,2,0,0,0,0|0,0,1]=3 14804 B19R2.1033353 CC(OC1CCCCCC1)C(=O)c2ccccc2 7a_100000210887_100000239700 [0,2,0,0,0,0|1,0,1]=4 14805 B19R2.1033353 CC(SC1CCCCCC1)C(=O)c2ccccc2 62a_100000239700_100011217769 [0,2,0,0,0,0|1,0,1]=4 14806 B19R2.1033353 CC(SC1CCCCCC1)C(=O)c2ccccc2 62a_100011217769_100000239700 [0,2,0,0,0,0|1,0,1]=4 14807 B19R2.1033353 CC(c1ccccc1)N(C)CC2CCCCCC2 2230a_100000195388_200000696569 [0,2,0,0,0,0|2,0,0]=4 14808 B19R2.1033353 CC(c1ccccc1)N(C)CC2CCCCCC2 269982a_100000195388_200000696569 [0,2,0,0,0,0|2,0,0]=4 14809 B19R2.1033353 C[C@H](C(=O)CC1CCCCCC1)c2ccccc2 1458a_100000751047_200000696569 [0,2,0,0,0,0|1,0,1]=4 14810 B19R2.1033353 C[C@H](C(=O)NC1CCCCCC1)c2ccccc2 11a_100000210984_100000751047 [0,2,0,0,0,0|0,0,1]=3 14811 B19R2.1033353 C[C@H](C(=O)NC1CCCCCC1)c2ccccc2 1626a_100000210984_100000751047 [0,2,0,0,0,0|0,0,1]=3 14812 B19R2.1033353 C[C@H](C(=O)NC1CCCCCC1)c2ccccc2 240690a_100000210984_100000751047 [0,2,0,0,0,0|0,0,1]=3 14813 B19R2.1033353 C[C@H](C(=O)NC1CCCCCC1)c2ccccc2 527a_100000210984_100000751047 [0,2,0,0,0,0|0,0,1]=3 14814 B19R2.1033353 C[C@H](OC1CCCCCC1)[C@@H](N)c2ccccc2 34a_100134616770_100011217769 [0,2,0,0,0,0|1,0,0]=3 14815 B19R2.1033353 O=C(CC1CCCCCC1)C(F)c2ccccc2 1458a_100000698975_200000696569 [0,2,0,0,0,0|1,0,1]=4 14816 B19R2.1033353 O=C(CC1CCCCCC1)[C@H](O)c2ccccc2 1458a_100000684486_200000696569 [0,2,0,0,0,0|1,0,1]=4 14817 B19R2.1033353 O=C(NC1CCCCCC1)C(F)c2ccccc2 11a_100000210984_100000698975 [0,2,0,0,0,0|0,0,1]=3 14818 B19R2.1033353 O=C(NC1CCCCCC1)C(F)c2ccccc2 1626a_100000210984_100000698975 [0,2,0,0,0,0|0,0,1]=3 14819 B19R2.1033353 O=C(NC1CCCCCC1)C(F)c2ccccc2 240690a_100000210984_100000698975 [0,2,0,0,0,0|0,0,1]=3 14820 B19R2.1033353 O=C(NC1CCCCCC1)C(F)c2ccccc2 527a_100000210984_100000698975 [0,2,0,0,0,0|0,0,1]=3 14821 B19R2.1033353 O=C(NC1CCCCCC1)[C@H](O)c2ccccc2 240690a_100000210984_100000684486 [0,2,0,0,0,0|0,0,1]=3 14822 B19R2.1035080 CC(C[n+]1ccccc1)N(C)C2CCCCCC2 270004a_100015185097_100000034229 [0,2,0,0,0,0|1,0,0]=3 14823 B19R2.1035080 CC(Cc1ccccc1)C(=O)C2CCCCCC2 1458a_100000749507_200011218536 [0,2,0,0,0,0|1,0,0]=3 14824 B19R2.1035080 CC(Cc1ccccc1)C(=O)C2CCCCCC2 1458a_100000754839_100011217769 [0,2,0,0,0,0|1,0,0]=3 14825 B19R2.1035080 CC(Cc1ccccc1)C(=O)N2CCCCCC2 11a_100000185865_100000754839 [0,2,0,0,0,0|2,0,0]=4 14826 B19R2.1035080 CC(Cc1ccccc1)C(=O)N2CCCCCC2 1626a_100000185865_100000754839 [0,2,0,0,0,0|2,0,0]=4 14827 B19R2.1035080 CC(Cc1ccccc1)C(=O)N2CCCCCC2 240690a_100000185865_100000754839 [0,2,0,0,0,0|2,0,0]=4 14828 B19R2.1035080 CC(Cc1ccccc1)C(=O)N2CCCCCC2 527a_100000185865_100000754839 [0,2,0,0,0,0|2,0,0]=4 14829 B19R2.1035080 CC(Cc1ccccc1)C(C)N2CCCCCC2 270004a_100000185865_200011390852 [0,2,0,0,0,0|2,0,0]=4 14830 B19R2.1035080 CC(Cc1ccccc1)N(C)C2CCCCCC2 269982a_100015185097_200011218536 [0,2,0,0,0,0|0,0,0]=2 14831 B19R2.1035080 CC(Cc1ccccc1)N(C)C2CCCCCC2 34a_100015185097_200011218536 [0,2,0,0,0,0|0,0,0]=2 14832 B19R2.1035080 CC(Cc1ccccn1)C(=O)C2CCCCCC2 1458a_100012000792_100011217769 [0,2,0,0,0,0|2,0,0]=4 14833 B19R2.1035080 CC(Cc1ccccn1)N(C)C2CCCCCC2 269982a_200011351704_100011217769 [0,2,0,0,0,0|1,0,0]=3 14834 B19R2.1035080 CC(Cc1ccccn1)N(C)C2CCCCCC2 270004a_200011351704_100000210131 [0,2,0,0,0,0|1,0,0]=3 14835 B19R2.1035080 CC(Cc1ccccn1)N(C)C2CCCNCC2 270004a_200011351704_100015187895 [0,2,0,0,0,0|2,0,0]=4 14836 B19R2.1035080 CC(Cc1cccnc1)N(C)C2CCCCCC2 270004a_100015185097_100015187140 [0,2,0,0,0,0|1,0,0]=3 14837 B19R2.1035080 CC(Cc1ccncc1)N(C)C2CCCCCC2 270004a_100015185097_100000238508 [0,2,0,0,0,0|1,0,0]=3 14838 B19R2.1035080 CC(Cc1cnccn1)N(C)C2CCCCCC2 270004a_100015185097_100015184882 [0,2,0,0,0,0|2,0,0]=4 14839 B19R2.1035080 CC(Oc1ccccc1)C(=O)C2CCCCCC2 1458a_100000188414_100011217769 [0,2,0,0,0,0|2,0,0]=4 14840 B19R2.1035080 CC(Sc1ccccc1)C(=O)C2CCCCCC2 1458a_100000199063_100011217769 [0,2,0,0,0,0|2,0,0]=4 14841 B19R2.1035080 CN(C(=O)C[n+]1ccccc1)C2CCCCCC2 11a_100015185097_200000086051 [0,2,0,0,0,0|1,0,1]=4 14842 B19R2.1035080 CN(C(=O)C[n+]1ccccc1)C2CCCCCC2 240690a_100015185097_200000086051 [0,2,0,0,0,0|1,0,1]=4 14843 B19R2.1035080 CN(C(=O)C[n+]1ccccc1)C2CCCCCC2 527a_100015185097_200000086051 [0,2,0,0,0,0|1,0,1]=4 14844 B19R2.1035080 CN(C(=O)Cc1ccccn1)C2CCCCCC2 11a_100015185097_100000233486 [0,2,0,0,0,0|1,0,1]=4 14845 B19R2.1035080 CN(C(=O)Cc1cccnc1)C2CCCCCC2 11a_100015185097_100000737805 [0,2,0,0,0,0|1,0,1]=4 14846 B19R2.1035080 CN(C(=O)Cc1cccnc1)C2CCCCCC2 240690a_100015185097_100000737805 [0,2,0,0,0,0|1,0,1]=4 14847 B19R2.1035080 CN(C(=O)Cc1cccnc1)C2CCCCCC2 527a_100015185097_100000737805 [0,2,0,0,0,0|1,0,1]=4 14848 B19R2.1035080 CN(C(=O)Cc1ccncc1)C2CCCCCC2 11a_100015185097_100011201483 [0,2,0,0,0,0|1,0,1]=4 14849 B19R2.1035080 CN(C(=O)Cc1ccncc1)C2CCCCCC2 240690a_100015185097_100011201483 [0,2,0,0,0,0|1,0,1]=4 14850 B19R2.1035080 CN(C(=O)Nc1ccccc1)C2CCCCCC2 2430a_100000106764_100015185097 [0,2,0,0,0,0|1,0,1]=4 14851 B19R2.1035080 CN(Cc1ccccc1)C(=O)C2CCCCCC2 11a_100000186898_100000749507 [0,2,0,0,0,0|2,0,0]=4 14852 B19R2.1035080 CN(Cc1ccccc1)C(=O)C2CCCCCC2 1626a_100000186898_100000749507 [0,2,0,0,0,0|2,0,0]=4 14853 B19R2.1035080 CN(Cc1ccccc1)C(=O)C2CCCCCC2 240690a_100000186898_100000749507 [0,2,0,0,0,0|2,0,0]=4 14854 B19R2.1035080 CN(Cc1ccccc1)C(=O)C2CCCCCC2 527a_100000186898_100000749507 [0,2,0,0,0,0|2,0,0]=4 14855 B19R2.1035080 O=C(C1CCCCCC1)[C@H](O)Cc2ccccc2 1458a_100009816399_100011217769 [0,2,0,0,0,0|1,0,0]=3 14856 B19R2.1035080 O=C([C@H](O)Cc1ccccc1)N2CCCCCC2 240690a_100000185865_100009816399 [0,2,0,0,0,0|2,0,0]=4 14857 B19R2.150147 CC(CNC1CCCCCC1)c2ccc(cc2)O 270004a_200015188644_100000210131 [0,2,0,0,0,0|0,0,0]=2 14858 B19R2.150147 CC(CNC1CCCCCC1)c2ccc(cc2)O 34a_200015188644_100011217769 [0,2,0,0,0,0|0,0,0]=2 14859 B19R2.150147 CC(CNC1CCCNCC1)c2ccc(cc2)O 270004a_200015188644_100015187895 [0,2,0,0,0,0|1,0,0]=3 14860 B19R2.150147 CC(CNC1CSCCSC1)c2ccc(cc2)O 270004a_200015188644_100000068409 [0,2,0,0,0,0|2,0,0]=4 14861 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)Br 2230a_100015204231_100000755118 [0,2,0,0,0,0|2,0,0]=4 14862 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)Br 269862a_100015204231_100000185794 [0,2,0,0,0,0|2,0,0]=4 14863 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)Br 34a_100015204231_100000755118 [0,2,0,0,0,0|2,0,0]=4 14864 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)Cl 2230a_100015204231_100000684792 [0,2,0,0,0,0|2,0,0]=4 14865 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)Cl 269862a_100015204231_100000185797 [0,2,0,0,0,0|2,0,0]=4 14866 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)F 2230a_100015204231_100000743420 [0,2,0,0,0,0|2,0,0]=4 14867 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)F 269862a_100015204231_100000185800 [0,2,0,0,0,0|2,0,0]=4 14868 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)F 34a_100015204231_100000743420 [0,2,0,0,0,0|2,0,0]=4 14869 B19R2.150147 CC(NCC1CCCCCC1)c2ccc(cc2)I 269862a_100015204231_100000185465 [0,2,0,0,0,0|2,0,0]=4 14870 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)Br 34a_100000699130_100000755118 [0,2,0,0,0,0|2,0,0]=4 14871 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)Br 34a_100000745893_200000696569 [0,2,0,0,0,0|2,0,0]=4 14872 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)Br 7a_100000745893_200000696569 [0,2,0,0,0,0|2,0,0]=4 14873 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)Cl 7a_100000699130_100000684792 [0,2,0,0,0,0|2,0,0]=4 14874 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)F 34a_100000181323_200000696569 [0,2,0,0,0,0|2,0,0]=4 14875 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)F 34a_100000699130_100000743420 [0,2,0,0,0,0|2,0,0]=4 14876 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)F 7a_100000181323_200000696569 [0,2,0,0,0,0|2,0,0]=4 14877 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)F 7a_100000699130_100000743420 [0,2,0,0,0,0|2,0,0]=4 14878 B19R2.150147 CC(OCC1CCCCCC1)c2ccc(cc2)N 34a_100011216399_200000696569 [0,2,0,0,0,0|2,0,0]=4 14879 B19R2.150147 CC(SCC1CCCCCC1)c2ccc(cc2)F 62a_100000743420_200000696569 [0,2,0,0,0,0|2,0,0]=4 14880 B19R2.150147 CC(SCC1CCCCCC1)c2ccc(cc2)F 62a_200000696569_100000743420 [0,2,0,0,0,0|2,0,0]=4 14881 B19R2.150147 C[C@@H](NCC1CCCCCC1)c2ccc(cc2)Br 2230a_100000720352_200000696569 [0,2,0,0,0,0|2,0,0]=4 14882 B19R2.150147 C[C@@H](NCC1CCCCCC1)c2ccc(cc2)Br 269862a_100000720352_200000763224 [0,2,0,0,0,0|2,0,0]=4 14883 B19R2.150147 C[C@@H](NCC1CCCCCC1)c2ccc(cc2)Cl 2230a_100015205461_200000696569 [0,2,0,0,0,0|2,0,0]=4 14884 B19R2.150147 C[C@@H](NCC1CCCCCC1)c2ccc(cc2)Cl 269862a_100015205461_200000763224 [0,2,0,0,0,0|2,0,0]=4 14885 B19R2.150147 C[C@@H](NCC1CCCCCC1)c2ccc(cc2)Cl 34a_100015205461_200000696569 [0,2,0,0,0,0|2,0,0]=4 14886 B19R2.150147 C[C@H](NCC1CCCCCC1)c2ccc(cc2)F 2230a_100025705893_200000696569 [0,2,0,0,0,0|2,0,0]=4 14887 B19R2.150147 C[C@H](NCC1CCCCCC1)c2ccc(cc2)F 269862a_100025705893_200000763224 [0,2,0,0,0,0|2,0,0]=4 14888 B19R2.150147 C[C@H](NCC1CCCCCC1)c2ccc(cc2)F 34a_100025705893_200000696569 [0,2,0,0,0,0|2,0,0]=4 14889 B19R2.150147 C[C@H](NCC1CCCCCC1)c2ccc(cc2)I 2230a_100000753911_200000696569 [0,2,0,0,0,0|2,0,0]=4 14890 B19R2.150147 C[C@H](NCC1CCCCCC1)c2ccc(cc2)I 269862a_100000753911_200000763224 [0,2,0,0,0,0|2,0,0]=4 14891 B19R2.150147 C[C@H](NCC1CCCCCC1)c2ccc(cc2)O 2230a_100161106496_200000696569 [0,2,0,0,0,0|2,0,0]=4 14892 B19R2.150147 C[C@H](OCC1CCCCCC1)c2ccc(cc2)Cl 34a_100011852131_200000696569 [0,2,0,0,0,0|2,0,0]=4 14893 B19R2.150147 C[C@H](OCC1CCCCCC1)c2ccc(cc2)Cl 7a_100011852131_200000696569 [0,2,0,0,0,0|2,0,0]=4 14894 B19R2.150147 Cc1ccc(cc1)C(=O)CNC2CCCCCC2 2230a_100000210984_100000211441 [0,2,0,0,0,0|0,0,1]=3 14895 B19R2.150147 Cc1ccc(cc1)C(=O)CNC2CCCCCC2 34a_100000210984_100000211441 [0,2,0,0,0,0|0,0,1]=3 14896 B19R2.150147 Cc1ccc(cc1)C(=O)COC2CCCCCC2 34a_100000210887_100000211441 [0,2,0,0,0,0|1,0,1]=4 14897 B19R2.150147 Cc1ccc(cc1)C(=O)COC2CCCCCC2 7a_100000210887_100000211441 [0,2,0,0,0,0|1,0,1]=4 14898 B19R2.150147 Cc1ccc(cc1)C(=O)CSC2CCCCCC2 62a_100000211441_100011217769 [0,2,0,0,0,0|1,0,1]=4 14899 B19R2.150147 Cc1ccc(cc1)C(=O)CSC2CCCCCC2 62a_100011217769_100000211441 [0,2,0,0,0,0|1,0,1]=4 14900 B19R2.150147 Cc1ccc(cc1)C(C)NCC2CCCCCC2 2230a_100015204231_100011261388 [0,2,0,0,0,0|2,0,0]=4 14901 B19R2.150147 Cc1ccc(cc1)C(C)NCC2CCCCCC2 269862a_100015204231_100000185793 [0,2,0,0,0,0|2,0,0]=4 14902 B19R2.150147 Cc1ccc(cc1)C(C)NCC2CCCCCC2 34a_100015204231_100011261388 [0,2,0,0,0,0|2,0,0]=4 14903 B19R2.150147 Cc1ccc(cc1)C(C)OCC2CCCCCC2 34a_100000699130_100011261388 [0,2,0,0,0,0|2,0,0]=4 14904 B19R2.150147 Cc1ccc(cc1)C(C)OCC2CCCCCC2 7a_100000699130_100011261388 [0,2,0,0,0,0|2,0,0]=4 14905 B19R2.150147 Cc1ccc(cc1)C(C)SCC2CCCCCC2 62a_100011261388_200000696569 [0,2,0,0,0,0|2,0,0]=4 14906 B19R2.150147 Cc1ccc(cc1)C(C)SCC2CCCCCC2 62a_200000696569_100011261388 [0,2,0,0,0,0|2,0,0]=4 14907 B19R2.150147 Cc1ccc(cc1)C(O)CNC2CCCCCC2 270004a_200020610344_100000210131 [0,2,0,0,0,0|0,0,0]=2 14908 B19R2.150147 Cc1ccc(cc1)C(O)CNC2CCCCCC2 34a_200020610344_100011217769 [0,2,0,0,0,0|0,0,0]=2 14909 B19R2.150147 Cc1ccc(cc1)C(O)CNC2CCCNCC2 270004a_200020610344_100015187895 [0,2,0,0,0,0|1,0,0]=3 14910 B19R2.150147 Cc1ccc(cc1)C(O)CNC2CSCCSC2 270004a_200020610344_100000068409 [0,2,0,0,0,0|2,0,0]=4 14911 B19R2.150147 Cc1ccc(cc1)[C@@H](C)NCC2CCCCCC2 2230a_100016988085_200000696569 [0,2,0,0,0,0|2,0,0]=4 14912 B19R2.150147 Cc1ccc(cc1)[C@@H](C)NCC2CCCCCC2 269862a_100016988085_200000763224 [0,2,0,0,0,0|2,0,0]=4 14913 B19R2.150147 Cc1ccc(cc1)[C@@H](C)NCC2CCCCCC2 34a_100016988085_200000696569 [0,2,0,0,0,0|2,0,0]=4 14914 B19R2.150147 Cc1ccc(cc1)[C@@H](C)OCC2CCCCCC2 34a_100000690690_200000696569 [0,2,0,0,0,0|2,0,0]=4 14915 B19R2.150147 Cc1ccc(cc1)[C@@H](C)OCC2CCCCCC2 7a_100000690690_200000696569 [0,2,0,0,0,0|2,0,0]=4 14916 B19R2.150147 Cc1ccc(cc1)[C@@H](N)COC2CCCCCC2 34a_100009818840_100011217769 [0,2,0,0,0,0|1,0,0]=3 14917 B19R2.150147 NC(COC1CCCCCC1)c2ccc(cc2)Br 34a_100000734186_100011217769 [0,2,0,0,0,0|1,0,0]=3 14918 B19R2.150147 NC(COC1CCCCCC1)c2ccc(cc2)F 34a_100000705410_100011217769 [0,2,0,0,0,0|1,0,0]=3 14919 B19R2.150147 N[C@H](COC1CCCCCC1)c2ccc(cc2)Cl 34a_100009818818_100011217769 [0,2,0,0,0,0|1,0,0]=3 14920 B19R2.150147 O=C(CNC1CCCCCC1)c2ccc(cc2)Br 34a_100000210984_100000188085 [0,2,0,0,0,0|0,0,1]=3 14921 B19R2.150147 O=C(CNC1CCCCCC1)c2ccc(cc2)I 34a_100000210984_100011216261 [0,2,0,0,0,0|0,0,1]=3 14922 B19R2.150147 O=C(CNC1CCCCCC1)c2ccc(cc2)O 34a_100000210984_100009814261 [0,2,0,0,0,0|0,0,1]=3 14923 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)Br 34a_100000210887_100000188085 [0,2,0,0,0,0|1,0,1]=4 14924 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)Br 7a_100000210887_100000188085 [0,2,0,0,0,0|1,0,1]=4 14925 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)Cl 7a_100000210887_100000211071 [0,2,0,0,0,0|1,0,1]=4 14926 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)F 34a_100000246311_100011217769 [0,2,0,0,0,0|1,0,1]=4 14927 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)F 7a_100000210887_100000211279 [0,2,0,0,0,0|1,0,1]=4 14928 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)I 34a_100000210887_100011216261 [0,2,0,0,0,0|1,0,1]=4 14929 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)I 7a_100000210887_100011216261 [0,2,0,0,0,0|1,0,1]=4 14930 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)O 34a_100000210887_100009814261 [0,2,0,0,0,0|1,0,1]=4 14931 B19R2.150147 O=C(COC1CCCCCC1)c2ccc(cc2)O 7a_100000210887_100000018856 [0,2,0,0,0,0|1,0,1]=4 14932 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)Br 62a_100000188085_100011217769 [0,2,0,0,0,0|1,0,1]=4 14933 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)Cl 62a_100000211071_100011217769 [0,2,0,0,0,0|1,0,1]=4 14934 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)Cl 62a_100011217769_100000211071 [0,2,0,0,0,0|1,0,1]=4 14935 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)F 62a_100000211279_100011217769 [0,2,0,0,0,0|1,0,1]=4 14936 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)F 62a_100011217769_100000211279 [0,2,0,0,0,0|1,0,1]=4 14937 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)I 62a_100011216261_100011217769 [0,2,0,0,0,0|1,0,1]=4 14938 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)I 62a_100011217769_100011216261 [0,2,0,0,0,0|1,0,1]=4 14939 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)O 62a_100009814261_100011217769 [0,2,0,0,0,0|1,0,1]=4 14940 B19R2.150147 O=C(CSC1CCCCCC1)c2ccc(cc2)O 62a_100011217769_100009814261 [0,2,0,0,0,0|1,0,1]=4 14941 B19R2.150147 OC(CNC1CCCCCC1)c2ccc(cc2)Br 270004a_100020626992_100000210131 [0,2,0,0,0,0|0,0,0]=2 14942 B19R2.150147 OC(CNC1CCCCCC1)c2ccc(cc2)Br 34a_100020626992_100011217769 [0,2,0,0,0,0|0,0,0]=2 14943 B19R2.150147 OC(CNC1CCCCCC1)c2ccc(cc2)Cl 2230a_100000210984_200011996143 [0,2,0,0,0,0|0,0,0]=2 14944 B19R2.150147 OC(CNC1CCCCCC1)c2ccc(cc2)Cl 270004a_100000736658_100000210131 [0,2,0,0,0,0|0,0,0]=2 14945 B19R2.150147 OC(CNC1CCCCCC1)c2ccc(cc2)Cl 34a_100000210984_200011996143 [0,2,0,0,0,0|0,0,0]=2 14946 B19R2.150147 OC(CNC1CCCCCC1)c2ccc(cc2)Cl 34a_100000736658_100011217769 [0,2,0,0,0,0|0,0,0]=2 14947 B19R2.150147 OC(CNC1CCCNCC1)c2ccc(cc2)Br 270004a_100020626992_100015187895 [0,2,0,0,0,0|1,0,0]=3 14948 B19R2.150147 OC(CNC1CCCNCC1)c2ccc(cc2)Cl 270004a_100000736658_100015187895 [0,2,0,0,0,0|1,0,0]=3 14949 B19R2.150147 OC(CNC1CSCCSC1)c2ccc(cc2)Br 270004a_100020626992_100000068409 [0,2,0,0,0,0|2,0,0]=4 14950 B19R2.150147 OC(CNC1CSCCSC1)c2ccc(cc2)Cl 270004a_100000736658_100000068409 [0,2,0,0,0,0|2,0,0]=4 14951 B19R2.150147 OC(COC1CCCCCC1)c2ccc(cc2)Cl 34a_100000210887_200011996143 [0,2,0,0,0,0|1,0,0]=3 14952 B19R2.150147 OC(COC1CCCCCC1)c2ccc(cc2)Cl 7a_100000210887_200011996143 [0,2,0,0,0,0|1,0,0]=3 14953 B19R2.150147 OC(CSC1CCCCCC1)c2ccc(cc2)Cl 62a_100011217769_200011996143 [0,2,0,0,0,0|1,0,0]=3 14954 B19R2.150147 OC(CSC1CCCCCC1)c2ccc(cc2)Cl 62a_200011996143_100011217769 [0,2,0,0,0,0|1,0,0]=3 14955 B19R2.150147 O[C@@H](CNC1CCCCCC1)c2ccc(cc2)F 2230a_100000210984_100000720402 [0,2,0,0,0,0|0,0,0]=2 14956 B19R2.150147 O[C@@H](CNC1CCCCCC1)c2ccc(cc2)F 34a_100000210984_100000720402 [0,2,0,0,0,0|0,0,0]=2 14957 B19R2.150147 O[C@@H](COC1CCCCCC1)c2ccc(cc2)F 34a_100000210887_100000720402 [0,2,0,0,0,0|1,0,0]=3 14958 B19R2.150147 O[C@@H](COC1CCCCCC1)c2ccc(cc2)F 7a_100000210887_100000720402 [0,2,0,0,0,0|1,0,0]=3 14959 B19R2.150147 O[C@@H](CSC1CCCCCC1)c2ccc(cc2)F 62a_100000720402_100011217769 [0,2,0,0,0,0|1,0,0]=3 14960 B19R2.150147 O[C@@H](CSC1CCCCCC1)c2ccc(cc2)F 62a_100011217769_100000720402 [0,2,0,0,0,0|1,0,0]=3 14961 B19R2.150147 Oc1ccc(cc1)C(O)CNC2CCCCCC2 34a_100000067596_100011217769 [0,2,0,0,0,0|0,0,0]=2 14962 B19R2.150147 [2H]C(OCC1CCCCCC1)c2ccc(cc2)F 34a_217856618577_200000696569 [0,2,0,0,0,0|2,0,0]=4 14963 B19R2.150147 [2H]C(OCC1CCCCCC1)c2ccc(cc2)F 7a_217856618577_200000696569 [0,2,0,0,0,0|2,0,0]=4 14964 B19R2.207456 BrCC(OCC1CCCCCC1)c2ccccc2 7a_100000185958_200000696569 [0,2,0,0,0,0|2,0,0]=4 14965 B19R2.207456 C#CC(OCC1CCCCCC1)c2ccccc2 34a_100011219616_200000696569 [0,2,0,0,0,0|2,0,0]=4 14966 B19R2.207456 C#CC(OCC1CCCCCC1)c2ccccc2 7a_100011219616_200000696569 [0,2,0,0,0,0|2,0,0]=4 14967 B19R2.207456 C=CC(NCC1CCCCCC1)c2ccccc2 2230a_100015204231_200000085779 [0,2,0,0,0,0|2,0,0]=4 14968 B19R2.207456 C=CC(OCC1CCCCCC1)c2ccccc2 34a_100011215659_200000696569 [0,2,0,0,0,0|2,0,0]=4 14969 B19R2.207456 C=CC(OCC1CCCCCC1)c2ccccc2 7a_100011215659_200000696569 [0,2,0,0,0,0|2,0,0]=4 14970 B19R2.207456 C=CC(SCC1CCCCCC1)c2ccccc2 62a_200000085779_200000696569 [0,2,0,0,0,0|2,0,0]=4 14971 B19R2.207456 C=CC(SCC1CCCCCC1)c2ccccc2 62a_200000696569_200000085779 [0,2,0,0,0,0|2,0,0]=4 14972 B19R2.207456 CCC(CNC1CCCCCC1)c2ccccc2 270004a_100000210984_100000753018 [0,2,0,0,0,0|0,0,0]=2 14973 B19R2.207456 CCC(COC1CCCCCC1)c2ccccc2 34a_100000752371_100011217769 [0,2,0,0,0,0|1,0,0]=3 14974 B19R2.207456 CCC(NCC1CCCCCC1)c2ccccc2 2230a_100000737752_200000696569 [0,2,0,0,0,0|2,0,0]=4 14975 B19R2.207456 CCC(NCC1CCCCCC1)c2ccccc2 269862a_100000737752_200000763224 [0,2,0,0,0,0|2,0,0]=4 14976 B19R2.207456 CCC(NCC1CCCCCC1)c2ccccc2 269862a_100015204231_100000210124 [0,2,0,0,0,0|2,0,0]=4 14977 B19R2.207456 CCC(OCC1CCCCCC1)c2ccccc2 34a_100000698172_200000696569 [0,2,0,0,0,0|2,0,0]=4 14978 B19R2.207456 CCC(OCC1CCCCCC1)c2ccccc2 7a_100000698172_200000696569 [0,2,0,0,0,0|2,0,0]=4 14979 B19R2.207456 COC(COC1CCCCCC1)c2ccccc2 34a_100011215540_100011217769 [0,2,0,0,0,0|1,0,0]=3 14980 B19R2.207456 ClC[C@@H](OCC1CCCCCC1)c2ccccc2 34a_100011933945_200000696569 [0,2,0,0,0,0|2,0,0]=4 14981 B19R2.207456 ClC[C@@H](OCC1CCCCCC1)c2ccccc2 7a_100011933945_200000696569 [0,2,0,0,0,0|2,0,0]=4 14982 B19R2.207456 N#CC(OCC1CCCCCC1)c2ccccc2 7a_100011217353_200000696569 [0,2,0,0,0,0|2,0,0]=4 14983 B19R2.207456 NCC(OCC1CCCCCC1)c2ccccc2 34a_100000210709_200000696569 [0,2,0,0,0,0|2,0,0]=4 14984 B19R2.207456 OC[C@@H](NCC1CCCCCC1)c2ccccc2 2230a_100000751927_200000696569 [0,2,0,0,0,0|2,0,0]=4 14985 B19R2.207456 OC[C@@H](NCC1CCCCCC1)c2ccccc2 269862a_100000751927_200000763224 [0,2,0,0,0,0|2,0,0]=4 14986 B19R2.207456 OC[C@@H](NCC1CCCCCC1)c2ccccc2 34a_100000751927_200000696569 [0,2,0,0,0,0|2,0,0]=4 14987 B19R2.463023 CC(CC(=O)C1CCCCCC1)c2ccccc2 1458a_100000183687_100011217769 [0,2,0,0,0,0|1,0,0]=3 14988 B19R2.463023 CC(CC(=O)C1CCCCCC1)c2ccccc2 1458a_100000749507_100000756946 [0,2,0,0,0,0|1,0,0]=3 14989 B19R2.463023 CC(CC(=O)N1CCCCCC1)c2ccccc2 11a_100000185865_100000183687 [0,2,0,0,0,0|2,0,0]=4 14990 B19R2.463023 CC(CC(=O)N1CCCCCC1)c2ccccc2 1626a_100000185865_100000183687 [0,2,0,0,0,0|2,0,0]=4 14991 B19R2.463023 CC(CC(=O)N1CCCCCC1)c2ccccc2 240690a_100000185865_100000183687 [0,2,0,0,0,0|2,0,0]=4 14992 B19R2.463023 CC(CC(=O)N1CCCCCC1)c2ccccc2 527a_100000185865_100000183687 [0,2,0,0,0,0|2,0,0]=4 14993 B19R2.463023 CC(CN(C)C1CCCCCC1)c2ccccc2 2230a_100015185097_100000756946 [0,2,0,0,0,0|0,0,0]=2 14994 B19R2.463023 CC(CN(C)C1CCCCCC1)c2ccccc2 269982a_100015185097_100000756946 [0,2,0,0,0,0|0,0,0]=2 14995 B19R2.463023 CC(CN(C)C1CCCCCC1)c2ccccc2 270004a_100015185097_100000212034 [0,2,0,0,0,0|0,0,0]=2 14996 B19R2.463023 CC(CN(C)C1CCCCCC1)c2ccccc2 34a_100015185097_100000756946 [0,2,0,0,0,0|0,0,0]=2 14997 B19R2.463023 CN(CC(=O)C1CCCCCC1)c2ccccc2 1458a_100000745425_100011217769 [0,2,0,0,0,0|2,0,0]=4 14998 B19R2.463023 CN(CC(=O)c1ccccc1)C2CCCCCC2 269982a_100015185097_100000211460 [0,2,0,0,0,0|0,0,1]=3 14999 B19R2.463023 CN(CC(=O)c1ccccn1)C2CCCCCC2 269982a_100015185097_100000027445 [0,2,0,0,0,0|1,0,1]=4 15000 B19R2.463023 CN(CC(=O)c1ccccn1)C2CCCCCC2 34a_100015185097_100000027445 [0,2,0,0,0,0|1,0,1]=4 15001 B19R2.463023 CN(CC(=O)c1cccnc1)C2CCCCCC2 269982a_100015185097_100000757877 [0,2,0,0,0,0|1,0,1]=4 15002 B19R2.463023 CN(CC(=O)c1ccncc1)C2CCCCCC2 269982a_100015185097_100000027454 [0,2,0,0,0,0|1,0,1]=4 15003 B19R2.463023 CN(CC(O)c1ccccc1)C2CCCCCC2 2230a_100015185097_100000185958 [0,2,0,0,0,0|0,0,0]=2 15004 B19R2.463023 CN(CC(O)c1ccccc1)C2CCCCCC2 269982a_100000227976_100011217769 [0,2,0,0,0,0|0,0,0]=2 15005 B19R2.463023 CN(CC(O)c1ccccc1)C2CCCCCC2 270004a_100000227976_100000210131 [0,2,0,0,0,0|0,0,0]=2 15006 B19R2.463023 CN(CC(O)c1ccccc1)C2CCCCCC2 34a_100015185097_100000185958 [0,2,0,0,0,0|0,0,0]=2 15007 B19R2.463023 CN(CC(O)c1ccccc1)C2CCCNCC2 270004a_100000227976_100015187895 [0,2,0,0,0,0|1,0,0]=3 15008 B19R2.463023 CN(CC(O)c1ccccc1)C2CSCCSC2 270004a_100000227976_100000068409 [0,2,0,0,0,0|2,0,0]=4 15009 B19R2.463023 CN(CS(=O)c1ccccc1)C2CCCCCC2 269982a_100015185097_100000031784 [0,2,0,0,0,0|1,0,0]=3 15010 B19R2.463023 CN(C[C@@H](O)c1ccccc1)C2CCCCCC2 2230a_100015185097_100011933945 [0,2,0,0,0,0|0,0,0]=2 15011 B19R2.463023 CN(C[C@@H](O)c1ccccc1)C2CCCCCC2 34a_100015185097_100011933945 [0,2,0,0,0,0|0,0,0]=2 15012 B19R2.463023 C[C@@H](NC(=O)C1CCCCCC1)c2ccccc2 11a_100000751104_100000749507 [0,2,0,0,0,0|2,0,0]=4 15013 B19R2.463023 C[C@@H](NC(=O)C1CCCCCC1)c2ccccc2 1626a_100000751104_100000749507 [0,2,0,0,0,0|2,0,0]=4 15014 B19R2.463023 C[C@@H](NC(=O)C1CCCCCC1)c2ccccc2 240690a_100000751104_100000749507 [0,2,0,0,0,0|2,0,0]=4 15015 B19R2.463023 C[C@@H](NC(=O)C1CCCCCC1)c2ccccc2 527a_100000751104_100000749507 [0,2,0,0,0,0|2,0,0]=4 15016 B19R2.463023 O=C(CC(=O)C1CCCCCC1)c2ccccc2 1458a_100000749507_100000211460 [0,2,0,0,0,0|1,0,1]=4 15017 B19R2.463023 O=C(CC(O)c1ccccc1)C2CCCCCC2 1458a_100000690199_100011217769 [0,2,0,0,0,0|1,0,0]=3 15018 B19R2.463023 O=C(CC(O)c1ccccc1)C2CCCCCC2 1458a_100000749507_100000185958 [0,2,0,0,0,0|1,0,0]=3 15019 B19R2.463023 O=C(CC(O)c1ccccc1)N2CCCCCC2 240690a_100000185865_100000690199 [0,2,0,0,0,0|2,0,0]=4 15020 B19R2.463023 O=C(C[C@@H](O)c1ccccc1)C2CCCCCC2 1458a_100000749507_100011933945 [0,2,0,0,0,0|1,0,0]=3 15021 B19R2.496458 CC(C)(CNC1CCCCCC1)c2ccccc2 270004a_100011211644_100000210131 [0,2,0,0,0,0|0,0,0]=2 15022 B19R2.496458 CC(C)(CNC1CCCNCC1)c2ccccc2 270004a_100011211644_100015187895 [0,2,0,0,0,0|1,0,0]=3 15023 B19R2.496458 CC(C)(CNC1CSCCSC1)c2ccccc2 270004a_100011211644_100000068409 [0,2,0,0,0,0|2,0,0]=4 15024 B19R2.496458 CC(C)(CSC1CCCCCC1)c2ccccc2 62a_100000703224_100011217769 [0,2,0,0,0,0|1,0,0]=3 15025 B19R2.496458 CC(C)(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000703224 [0,2,0,0,0,0|1,0,0]=3 15026 B19R2.496458 CC(C)(NCC1CCCCCC1)c2ccccc2 2230a_100011218174_200000696569 [0,2,0,0,0,0|2,0,0]=4 15027 B19R2.496458 CC(C)(NCC1CCCCCC1)c2ccccc2 2230a_100015204231_100000034625 [0,2,0,0,0,0|2,0,0]=4 15028 B19R2.496458 CC(C)(OCC1CCCCCC1)c2ccccc2 7a_100000694644_200000696569 [0,2,0,0,0,0|2,0,0]=4 15029 B19R2.496458 CC(C)(SCC1CCCCCC1)c2ccccc2 62a_100000034625_200000696569 [0,2,0,0,0,0|2,0,0]=4 15030 B19R2.496458 CC(C)(SCC1CCCCCC1)c2ccccc2 62a_200000696569_100000034625 [0,2,0,0,0,0|2,0,0]=4 15031 B19R2.496458 CC(O)(CNC1CCCCCC1)c2ccccc2 270004a_100011660926_100000210131 [0,2,0,0,0,0|0,0,0]=2 15032 B19R2.496458 CC(O)(CNC1CCCNCC1)c2ccccc2 270004a_100011660926_100015187895 [0,2,0,0,0,0|1,0,0]=3 15033 B19R2.496458 CC(O)(CNC1CSCCSC1)c2ccccc2 270004a_100011660926_100000068409 [0,2,0,0,0,0|2,0,0]=4 15034 B19R2.496458 C[Si](C)(CNC1CCCCCC1)c2ccccc2 2230a_100000210984_100000038972 [0,2,0,0,0,0|0,1,0]=3 15035 B19R2.496458 C[Si](C)(COC1CCCCCC1)c2ccccc2 7a_100000210887_100000038972 [0,2,0,0,0,0|1,1,0]=4 15036 B19R2.496458 C[Si](C)(CSC1CCCCCC1)c2ccccc2 62a_100000038972_100011217769 [0,2,0,0,0,0|1,1,0]=4 15037 B19R2.496458 C[Si](C)(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000038972 [0,2,0,0,0,0|1,1,0]=4 15038 B19R2.496458 FC(F)(CNC1CCCCCC1)c2ccccc2 270004a_100000717977_100000210131 [0,2,0,0,0,0|0,0,0]=2 15039 B19R2.496458 FC(F)(CNC1CCCCCC1)c2ccccc2 34a_100000210984_100009875531 [0,2,0,0,0,0|0,0,0]=2 15040 B19R2.496458 FC(F)(CNC1CCCCCC1)c2ccccc2 34a_100000717977_100011217769 [0,2,0,0,0,0|0,0,0]=2 15041 B19R2.496458 FC(F)(CNC1CCCNCC1)c2ccccc2 270004a_100000717977_100015187895 [0,2,0,0,0,0|1,0,0]=3 15042 B19R2.496458 FC(F)(CNC1CSCCSC1)c2ccccc2 270004a_100000717977_100000068409 [0,2,0,0,0,0|2,0,0]=4 15043 B19R2.496458 FC(F)(COC1CCCCCC1)c2ccccc2 34a_100000210887_100009875531 [0,2,0,0,0,0|1,0,0]=3 15044 B19R2.496458 FC(F)(CSC1CCCCCC1)c2ccccc2 62a_100009875531_100011217769 [0,2,0,0,0,0|1,0,0]=3 15045 B19R2.496458 FC(F)(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100009875531 [0,2,0,0,0,0|1,0,0]=3 15046 B19R2.496458 FC(F)(OCC1CCCCCC1)c2ccccc2 7a_100000699130_100000036403 [0,2,0,0,0,0|2,0,0]=4 15047 B19R2.496458 FC(F)(SCC1CCCCCC1)c2ccccc2 62a_200000696569_100000036403 [0,2,0,0,0,0|2,0,0]=4 15048 B19R2.496458 O=S(=O)(CNC1CCCCCC1)c2ccccc2 34a_100000210984_200009813291 [0,2,0,0,0,0|1,0,0]=3 15049 B19R2.496458 O=S(=O)(COC1CCCCCC1)c2ccccc2 34a_100000210887_200009813291 [0,2,0,0,0,0|2,0,0]=4 15050 B19R2.496458 O=S(=O)(CSC1CCCCCC1)c2ccccc2 62a_100000240042_100011217769 [0,2,0,0,0,0|2,0,0]=4 15051 B19R2.496458 O=S(=O)(CSC1CCCCCC1)c2ccccc2 62a_100011217769_100000240042 [0,2,0,0,0,0|2,0,0]=4 15052 B19R2.6109304 CC(CNC1(CCCCCC1)C)c2ccccc2 2230a_100000704638_100000756946 [0,2,0,0,0,0|0,0,0]=2 15053 B19R2.6109304 CC(CNC1(CCCCCC1)C)c2ccccc2 270004a_100000704638_100000212034 [0,2,0,0,0,0|0,0,0]=2 15054 B19R2.6109304 CC(CNC1(CCCCCC1)C)c2ccccc2 34a_100000704638_100000756946 [0,2,0,0,0,0|0,0,0]=2 15055 B19R2.6109304 CC(COC1(CCCCCC1)C)c2ccccc2 34a_100000708895_100000756946 [0,2,0,0,0,0|1,0,0]=3 15056 B19R2.6109304 CC(COC1(CCCCCC1)C)c2ccccc2 7a_100000708895_100000756946 [0,2,0,0,0,0|1,0,0]=3 15057 B19R2.6109304 CC(COC1(CCCNCC1)C)c2ccccc2 34a_100000723723_100000756946 [0,2,0,0,0,0|2,0,0]=4 15058 B19R2.6109304 CC1(CCCCCC1)NCC(=O)c2ccccn2 34a_100000704638_100000027445 [0,2,0,0,0,0|1,0,1]=4 15059 B19R2.6109304 CC1(CCCCCC1)NCC(O)c2ccccc2 2230a_100000704638_100000185958 [0,2,0,0,0,0|0,0,0]=2 15060 B19R2.6109304 CC1(CCCCCC1)NCC(O)c2ccccc2 34a_100000704638_100000185958 [0,2,0,0,0,0|0,0,0]=2 15061 B19R2.6109304 CC1(CCCCCC1)NC[C@@H](O)c2ccccc2 2230a_100000704638_100011933945 [0,2,0,0,0,0|0,0,0]=2 15062 B19R2.6109304 CC1(CCCCCC1)NC[C@@H](O)c2ccccc2 34a_100000704638_100011933945 [0,2,0,0,0,0|0,0,0]=2 15063 B19R2.6109304 CC1(CCCCCC1)OCC(=O)c2ccccc2 7a_100000708895_100000211460 [0,2,0,0,0,0|1,0,1]=4 15064 B19R2.6109304 CC1(CCCCCC1)OCC(O)c2ccccc2 34a_100000708895_100000185958 [0,2,0,0,0,0|1,0,0]=3 15065 B19R2.6109304 CC1(CCCCCC1)OCC(O)c2ccccc2 7a_100000708895_100000185958 [0,2,0,0,0,0|1,0,0]=3 15066 B19R2.6109304 CC1(CCCCCC1)OC[C@@H](O)c2ccccc2 34a_100000708895_100011933945 [0,2,0,0,0,0|1,0,0]=3 15067 B19R2.6109304 CC1(CCCCCC1)OC[C@@H](O)c2ccccc2 7a_100000708895_100011933945 [0,2,0,0,0,0|1,0,0]=3 15068 B19R2.6109304 CC1(CCCNCC1)OCC(O)c2ccccc2 34a_100000723723_100000185958 [0,2,0,0,0,0|2,0,0]=4 15069 B19R2.6109304 CC1(CCCNCC1)OC[C@@H](O)c2ccccc2 34a_100000723723_100011933945 [0,2,0,0,0,0|2,0,0]=4 15070 B19R2.5286 BrCc1ccc(cc1)COCC2CCCCCC2 34a_100012353999_200000696569 [0,2,0,0,0,0|2,0,0]=4 15071 B19R2.5286 BrCc1ccc(cc1)COCC2CCCCCC2 7a_100012353999_200000696569 [0,2,0,0,0,0|2,0,0]=4 15072 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100011361452 [0,2,0,0,0,0|2,0,0]=4 15073 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100015199678_200000696569 [0,2,0,0,0,0|2,0,0]=4 15074 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000140223 [0,2,0,0,0,0|2,0,0]=4 15075 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 269862a_100015199678_200000763224 [0,2,0,0,0,0|2,0,0]=4 15076 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100011361452 [0,2,0,0,0,0|2,0,0]=4 15077 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015199678_200000696569 [0,2,0,0,0,0|2,0,0]=4 15078 B19R2.5286 C#Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000140223 [0,2,0,0,0,0|2,0,0]=4 15079 B19R2.5286 C#Cc1ccc(cc1)COCC2CCCCCC2 34a_100000054647_200000696569 [0,2,0,0,0,0|2,0,0]=4 15080 B19R2.5286 C#Cc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000140223 [0,2,0,0,0,0|2,0,0]=4 15081 B19R2.5286 C#Cc1ccc(cc1)COCC2CCCCCC2 7a_100000054647_200000696569 [0,2,0,0,0,0|2,0,0]=4 15082 B19R2.5286 C#Cc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000140223 [0,2,0,0,0,0|2,0,0]=4 15083 B19R2.5286 C#Cc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000140223 [0,2,0,0,0,0|2,0,0]=4 15084 B19R2.5286 C=Cc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100000142037 [0,2,0,0,0,0|0,0,0]=2 15085 B19R2.5286 C=Cc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100000142037 [0,2,0,0,0,0|0,0,0]=2 15086 B19R2.5286 C=Cc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100000142037 [0,2,0,0,0,0|1,0,0]=3 15087 B19R2.5286 C=Cc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100000142037 [0,2,0,0,0,0|1,0,0]=3 15088 B19R2.5286 C=Cc1ccc(cc1)CCSC2CCCCCC2 62a_100000142037_100011217769 [0,2,0,0,0,0|1,0,0]=3 15089 B19R2.5286 C=Cc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100000142037 [0,2,0,0,0,0|1,0,0]=3 15090 B19R2.5286 C=Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000034074 [0,2,0,0,0,0|2,0,0]=4 15091 B19R2.5286 C=Cc1ccc(cc1)CNCC2CCCCCC2 269862a_200011934891_200000763224 [0,2,0,0,0,0|2,0,0]=4 15092 B19R2.5286 C=Cc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100011361436 [0,2,0,0,0,0|2,0,0]=4 15093 B19R2.5286 C=Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000034074 [0,2,0,0,0,0|2,0,0]=4 15094 B19R2.5286 C=Cc1ccc(cc1)CNCC2CCCCCC2 34a_200011934891_200000696569 [0,2,0,0,0,0|2,0,0]=4 15095 B19R2.5286 C=Cc1ccc(cc1)COCC2CCCCCC2 34a_100000073583_200000696569 [0,2,0,0,0,0|2,0,0]=4 15096 B19R2.5286 C=Cc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000034074 [0,2,0,0,0,0|2,0,0]=4 15097 B19R2.5286 C=Cc1ccc(cc1)COCC2CCCCCC2 7a_100000073583_200000696569 [0,2,0,0,0,0|2,0,0]=4 15098 B19R2.5286 C=Cc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000034074 [0,2,0,0,0,0|2,0,0]=4 15099 B19R2.5286 C=Cc1ccc(cc1)CSCC2CCCCCC2 62a_100000034074_200000696569 [0,2,0,0,0,0|2,0,0]=4 15100 B19R2.5286 C=Cc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000034074 [0,2,0,0,0,0|2,0,0]=4 15101 B19R2.5286 CCc1ccc(cc1)CCNC2CCCCCC2 270004a_100025712186_100000210131 [0,2,0,0,0,0|0,0,0]=2 15102 B19R2.5286 CCc1ccc(cc1)CCNC2CCCCCC2 34a_100025712186_100011217769 [0,2,0,0,0,0|0,0,0]=2 15103 B19R2.5286 CCc1ccc(cc1)CCNC2CCCNCC2 270004a_100025712186_100015187895 [0,2,0,0,0,0|1,0,0]=3 15104 B19R2.5286 CCc1ccc(cc1)CCNC2CSCCSC2 270004a_100025712186_100000068409 [0,2,0,0,0,0|2,0,0]=4 15105 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000211036 [0,2,0,0,0,0|2,0,0]=4 15106 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 2230a_100000721222_200000696569 [0,2,0,0,0,0|2,0,0]=4 15107 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000747183 [0,2,0,0,0,0|2,0,0]=4 15108 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 269862a_100000721222_200000763224 [0,2,0,0,0,0|2,0,0]=4 15109 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000211036 [0,2,0,0,0,0|2,0,0]=4 15110 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 34a_100000721222_200000696569 [0,2,0,0,0,0|2,0,0]=4 15111 B19R2.5286 CCc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000747183 [0,2,0,0,0,0|2,0,0]=4 15112 B19R2.5286 CCc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000747183 [0,2,0,0,0,0|2,0,0]=4 15113 B19R2.5286 CCc1ccc(cc1)COCC2CCCCCC2 34a_100000702245_200000696569 [0,2,0,0,0,0|2,0,0]=4 15114 B19R2.5286 CCc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000747183 [0,2,0,0,0,0|2,0,0]=4 15115 B19R2.5286 CCc1ccc(cc1)COCC2CCCCCC2 7a_100000702245_200000696569 [0,2,0,0,0,0|2,0,0]=4 15116 B19R2.5286 CCc1ccc(cc1)CSCC2CCCCCC2 62a_100000757233_200000696569 [0,2,0,0,0,0|2,0,0]=4 15117 B19R2.5286 CCc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000747183 [0,2,0,0,0,0|2,0,0]=4 15118 B19R2.5286 CCc1ccc(nc1)CCOC2CCCCCC2 34a_100000702088_100011217769 [0,2,0,0,0,0|2,0,0]=4 15119 B19R2.5286 COc1ccc(cc1)CCCN2CCCCCC2 2230a_100000185865_100011740616 [0,2,0,0,0,0|2,0,0]=4 15120 B19R2.5286 COc1ccc(cc1)CCCN2CCCCCC2 269982a_100000185865_100011740616 [0,2,0,0,0,0|2,0,0]=4 15121 B19R2.5286 COc1ccc(cc1)CCCN2CCCCCC2 270004a_100000185865_100011361577 [0,2,0,0,0,0|2,0,0]=4 15122 B19R2.5286 COc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100011713689 [0,2,0,0,0,0|0,0,0]=2 15123 B19R2.5286 COc1ccc(cc1)CCNC2CCCCCC2 270004a_100000210796_100000210131 [0,2,0,0,0,0|0,0,0]=2 15124 B19R2.5286 COc1ccc(cc1)CCNC2CCCCCC2 270004a_100000210984_100011242372 [0,2,0,0,0,0|0,0,0]=2 15125 B19R2.5286 COc1ccc(cc1)CCNC2CCCCCC2 34a_100000210796_100011217769 [0,2,0,0,0,0|0,0,0]=2 15126 B19R2.5286 COc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100000184700 [0,2,0,0,0,0|0,0,0]=2 15127 B19R2.5286 COc1ccc(cc1)CCNC2CCCNCC2 270004a_100000210796_100015187895 [0,2,0,0,0,0|1,0,0]=3 15128 B19R2.5286 COc1ccc(cc1)CCNC2CSCCSC2 270004a_100000210796_100000068409 [0,2,0,0,0,0|2,0,0]=4 15129 B19R2.5286 COc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100000184700 [0,2,0,0,0,0|1,0,0]=3 15130 B19R2.5286 COc1ccc(cc1)CCOC2CCCCCC2 34a_100011219623_100011217769 [0,2,0,0,0,0|1,0,0]=3 15131 B19R2.5286 COc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100000184700 [0,2,0,0,0,0|1,0,0]=3 15132 B19R2.5286 COc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100011713689 [0,2,0,0,0,0|1,0,0]=3 15133 B19R2.5286 COc1ccc(cc1)CCSC2CCCCCC2 62a_100011713689_100011217769 [0,2,0,0,0,0|1,0,0]=3 15134 B19R2.5286 COc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000169835 [0,2,0,0,0,0|2,0,0]=4 15135 B19R2.5286 COc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000742318 [0,2,0,0,0,0|2,0,0]=4 15136 B19R2.5286 COc1ccc(cc1)CNCC2CCCCCC2 269862a_100000185587_200000763224 [0,2,0,0,0,0|2,0,0]=4 15137 B19R2.5286 COc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000169835 [0,2,0,0,0,0|2,0,0]=4 15138 B19R2.5286 COc1ccc(cc1)CNCC2CCCCCC2 34a_100000185587_200000696569 [0,2,0,0,0,0|2,0,0]=4 15139 B19R2.5286 COc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000742318 [0,2,0,0,0,0|2,0,0]=4 15140 B19R2.5286 COc1ccc(cc1)COCC2CCCCCC2 34a_100000173359_200000696569 [0,2,0,0,0,0|2,0,0]=4 15141 B19R2.5286 COc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000742318 [0,2,0,0,0,0|2,0,0]=4 15142 B19R2.5286 COc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000742318 [0,2,0,0,0,0|2,0,0]=4 15143 B19R2.5286 COc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000742318 [0,2,0,0,0,0|2,0,0]=4 15144 B19R2.5286 COc1ccc(cn1)CCNC2CCCCCC2 270004a_100011998949_100000210131 [0,2,0,0,0,0|1,0,0]=3 15145 B19R2.5286 COc1ccc(cn1)CCNC2CCCCCC2 34a_100011998949_100011217769 [0,2,0,0,0,0|1,0,0]=3 15146 B19R2.5286 COc1ccc(cn1)CCNC2CCCNCC2 270004a_100011998949_100015187895 [0,2,0,0,0,0|2,0,0]=4 15147 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000211154 [0,2,0,0,0,0|2,0,0]=4 15148 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 2230a_100000174980_200000696569 [0,2,0,0,0,0|2,0,0]=4 15149 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000181263 [0,2,0,0,0,0|2,0,0]=4 15150 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 269862a_100000174980_200000763224 [0,2,0,0,0,0|2,0,0]=4 15151 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000211154 [0,2,0,0,0,0|2,0,0]=4 15152 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 34a_100000174980_200000696569 [0,2,0,0,0,0|2,0,0]=4 15153 B19R2.5286 CSc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000181263 [0,2,0,0,0,0|2,0,0]=4 15154 B19R2.5286 CSc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000181263 [0,2,0,0,0,0|2,0,0]=4 15155 B19R2.5286 CSc1ccc(cc1)COCC2CCCCCC2 34a_100011215404_200000696569 [0,2,0,0,0,0|2,0,0]=4 15156 B19R2.5286 CSc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000181263 [0,2,0,0,0,0|2,0,0]=4 15157 B19R2.5286 CSc1ccc(cc1)COCC2CCCCCC2 7a_100011215404_200000696569 [0,2,0,0,0,0|2,0,0]=4 15158 B19R2.5286 CSc1ccc(cc1)CSCC2CCCCCC2 62a_100000181263_200000696569 [0,2,0,0,0,0|2,0,0]=4 15159 B19R2.5286 CSc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000181263 [0,2,0,0,0,0|2,0,0]=4 15160 B19R2.5286 ClCc1ccc(cc1)COCC2CCCCCC2 34a_100000067286_200000696569 [0,2,0,0,0,0|2,0,0]=4 15161 B19R2.5286 ClCc1ccc(cc1)COCC2CCCCCC2 7a_100000067286_200000696569 [0,2,0,0,0,0|2,0,0]=4 15162 B19R2.5286 N#Cc1ccc(cc1)CCNC2CCCCCC2 2230a_100000210984_100012161189 [0,2,0,0,0,0|0,0,0]=2 15163 B19R2.5286 N#Cc1ccc(cc1)CCNC2CCCCCC2 270004a_100015189369_100000210131 [0,2,0,0,0,0|0,0,0]=2 15164 B19R2.5286 N#Cc1ccc(cc1)CCNC2CCCCCC2 34a_100000210984_100012161189 [0,2,0,0,0,0|0,0,0]=2 15165 B19R2.5286 N#Cc1ccc(cc1)CCNC2CCCCCC2 34a_100015189369_100011217769 [0,2,0,0,0,0|0,0,0]=2 15166 B19R2.5286 N#Cc1ccc(cc1)CCNC2CCCNCC2 270004a_100015189369_100015187895 [0,2,0,0,0,0|1,0,0]=3 15167 B19R2.5286 N#Cc1ccc(cc1)CCNC2CSCCSC2 270004a_100015189369_100000068409 [0,2,0,0,0,0|2,0,0]=4 15168 B19R2.5286 N#Cc1ccc(cc1)CCOC2CCCCCC2 34a_100000210887_100012161189 [0,2,0,0,0,0|1,0,0]=3 15169 B19R2.5286 N#Cc1ccc(cc1)CCOC2CCCCCC2 34a_100011219507_100011217769 [0,2,0,0,0,0|1,0,0]=3 15170 B19R2.5286 N#Cc1ccc(cc1)CCOC2CCCCCC2 7a_100000210887_100012161189 [0,2,0,0,0,0|1,0,0]=3 15171 B19R2.5286 N#Cc1ccc(cc1)CCSC2CCCCCC2 62a_100011217769_100012161189 [0,2,0,0,0,0|1,0,0]=3 15172 B19R2.5286 N#Cc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100000211122 [0,2,0,0,0,0|2,0,0]=4 15173 B19R2.5286 N#Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000184898 [0,2,0,0,0,0|2,0,0]=4 15174 B19R2.5286 N#Cc1ccc(cc1)CNCC2CCCCCC2 269862a_100015207190_200000763224 [0,2,0,0,0,0|2,0,0]=4 15175 B19R2.5286 N#Cc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100000211122 [0,2,0,0,0,0|2,0,0]=4 15176 B19R2.5286 N#Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000184898 [0,2,0,0,0,0|2,0,0]=4 15177 B19R2.5286 N#Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015207190_200000696569 [0,2,0,0,0,0|2,0,0]=4 15178 B19R2.5286 N#Cc1ccc(cc1)COCC2CCCCCC2 34a_100000238739_200000696569 [0,2,0,0,0,0|2,0,0]=4 15179 B19R2.5286 N#Cc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000184898 [0,2,0,0,0,0|2,0,0]=4 15180 B19R2.5286 N#Cc1ccc(cc1)COCC2CCCCCC2 7a_100000238739_200000696569 [0,2,0,0,0,0|2,0,0]=4 15181 B19R2.5286 N#Cc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000184898 [0,2,0,0,0,0|2,0,0]=4 15182 B19R2.5286 N#Cc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000184898 [0,2,0,0,0,0|2,0,0]=4 15183 B19R2.5286 NCc1ccc(cc1)COCC2CCCCCC2 34a_100015189231_200000696569 [0,2,0,0,0,0|2,0,0]=4 15184 B19R2.5286 O=Cc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100009816848 [0,2,0,0,0,0|2,0,0]=4 15185 B19R2.5286 O=Cc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100009816848 [0,2,0,0,0,0|2,0,0]=4 15186 B19R2.5286 O=Cc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100009816848 [0,2,0,0,0,0|2,0,0]=4 15187 B19R2.5286 O=Cc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100009816848 [0,2,0,0,0,0|2,0,0]=4 15188 B19R2.5286 O=Cc1ccc(cc1)CSCC2CCCCCC2 62a_100009816848_200000696569 [0,2,0,0,0,0|2,0,0]=4 15189 B19R2.5286 O=Cc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100009816848 [0,2,0,0,0,0|2,0,0]=4 15190 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 207a_100015204231_100009832023 [0,2,0,0,0,0|2,0,0]=4 15191 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 2230a_100015189231_200000696569 [0,2,0,0,0,0|2,0,0]=4 15192 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 2230a_100015204231_100000067286 [0,2,0,0,0,0|2,0,0]=4 15193 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 269862a_100015189231_200000763224 [0,2,0,0,0,0|2,0,0]=4 15194 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 270004a_100015204231_100009832023 [0,2,0,0,0,0|2,0,0]=4 15195 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 34a_100015189231_200000696569 [0,2,0,0,0,0|2,0,0]=4 15196 B19R2.5286 OCc1ccc(cc1)CNCC2CCCCCC2 34a_100015204231_100000067286 [0,2,0,0,0,0|2,0,0]=4 15197 B19R2.5286 OCc1ccc(cc1)COCC2CCCCCC2 34a_100000699130_100000067286 [0,2,0,0,0,0|2,0,0]=4 15198 B19R2.5286 OCc1ccc(cc1)COCC2CCCCCC2 7a_100000699130_100000067286 [0,2,0,0,0,0|2,0,0]=4 15199 B19R2.5286 OCc1ccc(cc1)CSCC2CCCCCC2 62a_100000067286_200000696569 [0,2,0,0,0,0|2,0,0]=4 15200 B19R2.5286 OCc1ccc(cc1)CSCC2CCCCCC2 62a_200000696569_100000067286 [0,2,0,0,0,0|2,0,0]=4 15201 B19R2.150671 CC(CCc1ccc(cc1)Cl)N2CCCCCC2 270004a_100000185865_100011279170 [0,2,0,0,0,0|2,0,0]=4 15202 B19R2.150671 CC(CCc1ccc(cc1)F)N2CCCCCC2 270004a_100000185865_100000743244 [0,2,0,0,0,0|2,0,0]=4 15203 B19R2.150671 CC(CCc1ccc(cc1)I)N2CCCCCC2 270004a_100000185865_100000723691 [0,2,0,0,0,0|2,0,0]=4 15204 B19R2.150671 CC(CCc1ccc(cc1)O)N2CCCCCC2 270004a_100000185865_100000198047 [0,2,0,0,0,0|2,0,0]=4 15205 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCCCC2 2230a_100015185097_100011740612 [0,2,0,0,0,0|0,0,0]=2 15206 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCCCC2 269982a_100000752880_100011217769 [0,2,0,0,0,0|0,0,0]=2 15207 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCCCC2 269982a_100015185097_100011740612 [0,2,0,0,0,0|0,0,0]=2 15208 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCCCC2 270004a_100000752880_100000210131 [0,2,0,0,0,0|0,0,0]=2 15209 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCCCC2 34a_100000752880_100011217769 [0,2,0,0,0,0|0,0,0]=2 15210 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCCCC2 34a_100015185097_100011740612 [0,2,0,0,0,0|0,0,0]=2 15211 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CCCNCC2 270004a_100000752880_100015187895 [0,2,0,0,0,0|1,0,0]=3 15212 B19R2.150671 CN(CCc1ccc(cc1)Br)C2CSCCSC2 270004a_100000752880_100000068409 [0,2,0,0,0,0|2,0,0]=4 15213 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCCCC2 2230a_100015185097_100011713675 [0,2,0,0,0,0|0,0,0]=2 15214 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCCCC2 269982a_100000698262_100011217769 [0,2,0,0,0,0|0,0,0]=2 15215 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCCCC2 269982a_100015185097_100011713675 [0,2,0,0,0,0|0,0,0]=2 15216 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCCCC2 270004a_100000698262_100000210131 [0,2,0,0,0,0|0,0,0]=2 15217 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCCCC2 34a_100000698262_100011217769 [0,2,0,0,0,0|0,0,0]=2 15218 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCCCC2 34a_100015185097_100011713675 [0,2,0,0,0,0|0,0,0]=2 15219 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CCCNCC2 270004a_100000698262_100015187895 [0,2,0,0,0,0|1,0,0]=3 15220 B19R2.150671 CN(CCc1ccc(cc1)Cl)C2CSCCSC2 270004a_100000698262_100000068409 [0,2,0,0,0,0|2,0,0]=4 15221 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCCCC2 2230a_100015185097_100011217392 [0,2,0,0,0,0|0,0,0]=2 15222 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCCCC2 269982a_100015185097_100011217392 [0,2,0,0,0,0|0,0,0]=2 15223 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCCCC2 269982a_100102946585_100011217769 [0,2,0,0,0,0|0,0,0]=2 15224 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCCCC2 270004a_100102946585_100000210131 [0,2,0,0,0,0|0,0,0]=2 15225 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCCCC2 34a_100015185097_100011217392 [0,2,0,0,0,0|0,0,0]=2 15226 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCCCC2 34a_100102946585_100011217769 [0,2,0,0,0,0|0,0,0]=2 15227 B19R2.150671 CN(CCc1ccc(cc1)F)C2CCCNCC2 270004a_100102946585_100015187895 [0,2,0,0,0,0|1,0,0]=3 15228 B19R2.150671 CN(CCc1ccc(cc1)F)C2CSCCSC2 270004a_100102946585_100000068409 [0,2,0,0,0,0|2,0,0]=4 15229 B19R2.150671 CN(CCc1ccc(cc1)O)C2CCCCCC2 2230a_100015185097_100009816426 [0,2,0,0,0,0|0,0,0]=2 15230 B19R2.150671 CN(CCc1ccc(cc1)O)C2CCCCCC2 269982a_100015185097_100009816426 [0,2,0,0,0,0|0,0,0]=2 15231 B19R2.150671 CN(CCc1ccc(cc1)O)C2CCCCCC2 269982a_100016989440_100011217769 [0,2,0,0,0,0|0,0,0]=2 15232 B19R2.150671 CN(CCc1ccc(cc1)O)C2CCCCCC2 270004a_100016989440_100000210131 [0,2,0,0,0,0|0,0,0]=2 15233 B19R2.150671 CN(CCc1ccc(cc1)O)C2CCCCCC2 34a_100016989440_100011217769 [0,2,0,0,0,0|0,0,0]=2 15234 B19R2.150671 CN(CCc1ccc(cc1)O)C2CCCNCC2 270004a_100016989440_100015187895 [0,2,0,0,0,0|1,0,0]=3 15235 B19R2.150671 CN(CCc1ccc(cc1)O)C2CSCCSC2 270004a_100016989440_100000068409 [0,2,0,0,0,0|2,0,0]=4 15236 B19R2.150671 Cc1ccc(cc1)CCC(=O)C2CCCCCC2 1458a_100000234883_100011217769 [0,2,0,0,0,0|1,0,0]=3 15237 B19R2.150671 Cc1ccc(cc1)CCC(=O)C2CCCCCC2 1458a_100000749507_100011713686 [0,2,0,0,0,0|1,0,0]=3 15238 B19R2.150671 Cc1ccc(cc1)CCC(=O)N2CCCCCC2 11a_100000185865_100000234883 [0,2,0,0,0,0|2,0,0]=4 15239 B19R2.150671 Cc1ccc(cc1)CCC(=O)N2CCCCCC2 1626a_100000185865_100000234883 [0,2,0,0,0,0|2,0,0]=4 15240 B19R2.150671 Cc1ccc(cc1)CCC(=O)N2CCCCCC2 240690a_100000185865_100000234883 [0,2,0,0,0,0|2,0,0]=4 15241 B19R2.150671 Cc1ccc(cc1)CCC(=O)N2CCCCCC2 527a_100000185865_100000234883 [0,2,0,0,0,0|2,0,0]=4 15242 B19R2.150671 Cc1ccc(cc1)CCN(C)C2CCCCCC2 2230a_100015185097_100011713686 [0,2,0,0,0,0|0,0,0]=2 15243 B19R2.150671 Cc1ccc(cc1)CCN(C)C2CCCCCC2 269982a_100015185097_100011713686 [0,2,0,0,0,0|0,0,0]=2 15244 B19R2.150671 Cc1ccc(cc1)CCN(C)C2CCCCCC2 34a_100015185097_100011713686 [0,2,0,0,0,0|0,0,0]=2 15245 B19R2.150671 Cc1ccc(cc1)CNC(=O)C2CCCCCC2 11a_100000174908_100000749507 [0,2,0,0,0,0|2,0,0]=4 15246 B19R2.150671 Cc1ccc(cc1)CNC(=O)C2CCCCCC2 1626a_100000174908_100000749507 [0,2,0,0,0,0|2,0,0]=4 15247 B19R2.150671 Cc1ccc(cc1)CNC(=O)C2CCCCCC2 240690a_100000174908_100000749507 [0,2,0,0,0,0|2,0,0]=4 15248 B19R2.150671 Cc1ccc(cc1)CNC(=O)C2CCCCCC2 527a_100000174908_100000749507 [0,2,0,0,0,0|2,0,0]=4 15249 B19R2.150671 Cc1ccc(cc1)OCC(=O)C2CCCCCC2 1458a_100000182360_100011217769 [0,2,0,0,0,0|2,0,0]=4 15250 B19R2.150671 Cc1ccc(cc1)SCC(=O)C2CCCCCC2 1458a_100000179497_100011217769 [0,2,0,0,0,0|2,0,0]=4 15251 B19R2.150671 O=C(CCc1ccc(cc1)Br)C2CCCCCC2 1458a_100000217147_100011217769 [0,2,0,0,0,0|1,0,0]=3 15252 B19R2.150671 O=C(CCc1ccc(cc1)Br)C2CCCCCC2 1458a_100000749507_100011740612 [0,2,0,0,0,0|1,0,0]=3 15253 B19R2.150671 O=C(CCc1ccc(cc1)Br)N2CCCCCC2 11a_100000185865_100000217147 [0,2,0,0,0,0|2,0,0]=4 15254 B19R2.150671 O=C(CCc1ccc(cc1)Br)N2CCCCCC2 1626a_100000185865_100000217147 [0,2,0,0,0,0|2,0,0]=4 15255 B19R2.150671 O=C(CCc1ccc(cc1)Br)N2CCCCCC2 240690a_100000185865_100000217147 [0,2,0,0,0,0|2,0,0]=4 15256 B19R2.150671 O=C(CCc1ccc(cc1)Br)N2CCCCCC2 527a_100000185865_100000217147 [0,2,0,0,0,0|2,0,0]=4 15257 B19R2.150671 O=C(CCc1ccc(cc1)Cl)C2CCCCCC2 1458a_100000235379_100011217769 [0,2,0,0,0,0|1,0,0]=3 15258 B19R2.150671 O=C(CCc1ccc(cc1)Cl)C2CCCCCC2 1458a_100000749507_100011713675 [0,2,0,0,0,0|1,0,0]=3 15259 B19R2.150671 O=C(CCc1ccc(cc1)Cl)N2CCCCCC2 11a_100000185865_100000235379 [0,2,0,0,0,0|2,0,0]=4 15260 B19R2.150671 O=C(CCc1ccc(cc1)Cl)N2CCCCCC2 1626a_100000185865_100000235379 [0,2,0,0,0,0|2,0,0]=4 15261 B19R2.150671 O=C(CCc1ccc(cc1)Cl)N2CCCCCC2 240690a_100000185865_100000235379 [0,2,0,0,0,0|2,0,0]=4 15262 B19R2.150671 O=C(CCc1ccc(cc1)Cl)N2CCCCCC2 527a_100000185865_100000235379 [0,2,0,0,0,0|2,0,0]=4 15263 B19R2.150671 O=C(CCc1ccc(cc1)F)C2CCCCCC2 1458a_100000198493_100011217769 [0,2,0,0,0,0|1,0,0]=3 15264 B19R2.150671 O=C(CCc1ccc(cc1)F)C2CCCCCC2 1458a_100000749507_100011217392 [0,2,0,0,0,0|1,0,0]=3 15265 B19R2.150671 O=C(CCc1ccc(cc1)F)N2CCCCCC2 11a_100000185865_100000198493 [0,2,0,0,0,0|2,0,0]=4 15266 B19R2.150671 O=C(CCc1ccc(cc1)F)N2CCCCCC2 1626a_100000185865_100000198493 [0,2,0,0,0,0|2,0,0]=4 15267 B19R2.150671 O=C(CCc1ccc(cc1)F)N2CCCCCC2 240690a_100000185865_100000198493 [0,2,0,0,0,0|2,0,0]=4 15268 B19R2.150671 O=C(CCc1ccc(cc1)F)N2CCCCCC2 527a_100000185865_100000198493 [0,2,0,0,0,0|2,0,0]=4 15269 B19R2.150671 O=C(CCc1ccc(cc1)I)C2CCCCCC2 1458a_100011217499_100011217769 [0,2,0,0,0,0|1,0,0]=3 15270 B19R2.150671 O=C(CCc1ccc(cc1)I)N2CCCCCC2 11a_100000185865_100011217499 [0,2,0,0,0,0|2,0,0]=4 15271 B19R2.150671 O=C(CCc1ccc(cc1)I)N2CCCCCC2 1626a_100000185865_100011217499 [0,2,0,0,0,0|2,0,0]=4 15272 B19R2.150671 O=C(CCc1ccc(cc1)I)N2CCCCCC2 240690a_100000185865_100011217499 [0,2,0,0,0,0|2,0,0]=4 15273 B19R2.150671 O=C(CCc1ccc(cc1)I)N2CCCCCC2 527a_100000185865_100011217499 [0,2,0,0,0,0|2,0,0]=4 15274 B19R2.150671 O=C(CCc1ccc(cc1)O)C2CCCCCC2 1458a_100000742835_100011217769 [0,2,0,0,0,0|1,0,0]=3 15275 B19R2.150671 O=C(CCc1ccc(cc1)O)C2CCCCCC2 1458a_100000749507_100009816426 [0,2,0,0,0,0|1,0,0]=3 15276 B19R2.150671 O=C(CCc1ccc(cc1)O)N2CCCCCC2 240690a_100000185865_100000742835 [0,2,0,0,0,0|2,0,0]=4 15277 B19R2.150671 O=C(COc1ccc(cc1)Br)C2CCCCCC2 1458a_100000182358_100011217769 [0,2,0,0,0,0|2,0,0]=4 15278 B19R2.150671 O=C(COc1ccc(cc1)Cl)C2CCCCCC2 1458a_100016990877_100011217769 [0,2,0,0,0,0|2,0,0]=4 15279 B19R2.150671 O=C(COc1ccc(cc1)F)C2CCCCCC2 1458a_100000184765_100011217769 [0,2,0,0,0,0|2,0,0]=4 15280 B19R2.150671 O=C(COc1ccc(cc1)I)C2CCCCCC2 1458a_100000184369_100011217769 [0,2,0,0,0,0|2,0,0]=4 15281 B19R2.150671 O=C(COc1ccc(cc1)O)C2CCCCCC2 1458a_100000031633_100011217769 [0,2,0,0,0,0|2,0,0]=4 15282 B19R2.150671 O=C(CSc1ccc(cc1)Br)C2CCCCCC2 1458a_100000179496_100011217769 [0,2,0,0,0,0|2,0,0]=4 15283 B19R2.150671 O=C(CSc1ccc(cc1)Cl)C2CCCCCC2 1458a_100000178402_100011217769 [0,2,0,0,0,0|2,0,0]=4 15284 B19R2.150671 O=C(CSc1ccc(cc1)F)C2CCCCCC2 1458a_100000691584_100011217769 [0,2,0,0,0,0|2,0,0]=4 15285 B19R2.150671 O=C(NCc1ccc(cc1)Br)C2CCCCCC2 11a_100000174875_100000749507 [0,2,0,0,0,0|2,0,0]=4 15286 B19R2.150671 O=C(NCc1ccc(cc1)Br)C2CCCCCC2 1626a_100000174875_100000749507 [0,2,0,0,0,0|2,0,0]=4 15287 B19R2.150671 O=C(NCc1ccc(cc1)Br)C2CCCCCC2 240690a_100000174875_100000749507 [0,2,0,0,0,0|2,0,0]=4 15288 B19R2.150671 O=C(NCc1ccc(cc1)Br)C2CCCCCC2 527a_100000174875_100000749507 [0,2,0,0,0,0|2,0,0]=4 15289 B19R2.150671 O=C(NCc1ccc(cc1)Cl)C2CCCCCC2 11a_100000174871_100000749507 [0,2,0,0,0,0|2,0,0]=4 15290 B19R2.150671 O=C(NCc1ccc(cc1)Cl)C2CCCCCC2 1626a_100000174871_100000749507 [0,2,0,0,0,0|2,0,0]=4 15291 B19R2.150671 O=C(NCc1ccc(cc1)Cl)C2CCCCCC2 240690a_100000174871_100000749507 [0,2,0,0,0,0|2,0,0]=4 15292 B19R2.150671 O=C(NCc1ccc(cc1)Cl)C2CCCCCC2 527a_100000174871_100000749507 [0,2,0,0,0,0|2,0,0]=4 15293 B19R2.150671 O=C(NCc1ccc(cc1)F)C2CCCCCC2 11a_100000174882_100000749507 [0,2,0,0,0,0|2,0,0]=4 15294 B19R2.150671 O=C(NCc1ccc(cc1)F)C2CCCCCC2 1626a_100000174882_100000749507 [0,2,0,0,0,0|2,0,0]=4 15295 B19R2.150671 O=C(NCc1ccc(cc1)F)C2CCCCCC2 240690a_100000174882_100000749507 [0,2,0,0,0,0|2,0,0]=4 15296 B19R2.150671 O=C(NCc1ccc(cc1)F)C2CCCCCC2 527a_100000174882_100000749507 [0,2,0,0,0,0|2,0,0]=4 15297 B19R2.150671 O=C(NCc1ccc(cc1)I)C2CCCCCC2 11a_100016989417_100000749507 [0,2,0,0,0,0|2,0,0]=4 15298 B19R2.150671 O=C(NCc1ccc(cc1)I)C2CCCCCC2 1626a_100016989417_100000749507 [0,2,0,0,0,0|2,0,0]=4 15299 B19R2.150671 O=C(NCc1ccc(cc1)I)C2CCCCCC2 240690a_100016989417_100000749507 [0,2,0,0,0,0|2,0,0]=4 15300 B19R2.150671 O=C(NCc1ccc(cc1)I)C2CCCCCC2 527a_100016989417_100000749507 [0,2,0,0,0,0|2,0,0]=4 15301 B19R2.150671 O=C(NCc1ccc(cc1)O)C2CCCCCC2 240690a_100000185549_100000749507 [0,2,0,0,0,0|2,0,0]=4 15302 B19R2.150671 O=C(NCc1ccc(cc1)O)C2CCCCCC2 527a_100000185549_100000749507 [0,2,0,0,0,0|2,0,0]=4 15303 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)Br 2230a_100000704638_100011740612 [0,2,0,0,0,0|0,0,0]=2 15304 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)Br 34a_100000704638_100011740612 [0,2,0,0,0,0|0,0,0]=2 15305 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)Cl 2230a_100000704638_100011713675 [0,2,0,0,0,0|0,0,0]=2 15306 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)Cl 34a_100000704638_100011713675 [0,2,0,0,0,0|0,0,0]=2 15307 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)F 2230a_100000704638_100011217392 [0,2,0,0,0,0|0,0,0]=2 15308 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)F 34a_100000704638_100011217392 [0,2,0,0,0,0|0,0,0]=2 15309 B19R2.152227 CC1(CCCCCC1)NCCc2ccc(cc2)O 2230a_100000704638_100009816426 [0,2,0,0,0,0|0,0,0]=2 15310 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)Br 34a_100000708895_100011740612 [0,2,0,0,0,0|1,0,0]=3 15311 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)Br 7a_100000708895_100011740612 [0,2,0,0,0,0|1,0,0]=3 15312 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)Cl 34a_100000708895_100011713675 [0,2,0,0,0,0|1,0,0]=3 15313 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)Cl 7a_100000708895_100011713675 [0,2,0,0,0,0|1,0,0]=3 15314 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)F 34a_100000708895_100011217392 [0,2,0,0,0,0|1,0,0]=3 15315 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)F 7a_100000708895_100011217392 [0,2,0,0,0,0|1,0,0]=3 15316 B19R2.152227 CC1(CCCCCC1)OCCc2ccc(cc2)O 7a_100000708895_100009816426 [0,2,0,0,0,0|1,0,0]=3 15317 B19R2.152227 CC1(CCCNCC1)OCCc2ccc(cc2)Br 34a_100000723723_100011740612 [0,2,0,0,0,0|2,0,0]=4 15318 B19R2.152227 CC1(CCCNCC1)OCCc2ccc(cc2)Cl 34a_100000723723_100011713675 [0,2,0,0,0,0|2,0,0]=4 15319 B19R2.152227 CC1(CCCNCC1)OCCc2ccc(cc2)F 34a_100000723723_100011217392 [0,2,0,0,0,0|2,0,0]=4 15320 B19R2.152227 Cc1ccc(cc1)CCNC2(CCCCCC2)C 2230a_100000704638_100011713686 [0,2,0,0,0,0|0,0,0]=2 15321 B19R2.152227 Cc1ccc(cc1)CCNC2(CCCCCC2)C 34a_100000704638_100011713686 [0,2,0,0,0,0|0,0,0]=2 15322 B19R2.152227 Cc1ccc(cc1)CCOC2(CCCCCC2)C 34a_100000708895_100011713686 [0,2,0,0,0,0|1,0,0]=3 15323 B19R2.152227 Cc1ccc(cc1)CCOC2(CCCCCC2)C 7a_100000708895_100011713686 [0,2,0,0,0,0|1,0,0]=3 15324 B19R2.152227 Cc1ccc(cc1)CCOC2(CCCNCC2)C 34a_100000723723_100011713686 [0,2,0,0,0,0|2,0,0]=4 15325 B19R2.444023 CCC(CCc1ccccc1)N2CCCCCC2 270004a_100000185865_100011279265 [0,2,0,0,0,0|2,0,0]=4 15326 B19R2.444023 CCN(CCc1ccccc1)C2CCCCCC2 2230a_114901603759_100000765856 [0,2,0,0,0,0|0,0,0]=2 15327 B19R2.444023 CCN(CCc1ccccc1)C2CCCCCC2 269982a_100000741020_100011217769 [0,2,0,0,0,0|0,0,0]=2 15328 B19R2.444023 CCN(CCc1ccccc1)C2CCCCCC2 269982a_114901603759_100000765856 [0,2,0,0,0,0|0,0,0]=2 15329 B19R2.444023 CCN(CCc1ccccc1)C2CCCCCC2 270004a_100000741020_100000210131 [0,2,0,0,0,0|0,0,0]=2 15330 B19R2.444023 CCN(CCc1ccccc1)C2CCCCCC2 34a_114901603759_100000765856 [0,2,0,0,0,0|0,0,0]=2 15331 B19R2.444023 CCN(CCc1ccccc1)C2CCCNCC2 270004a_100000741020_100015187895 [0,2,0,0,0,0|1,0,0]=3 15332 B19R2.444023 CCN(CCc1ccccc1)C2CSCCSC2 270004a_100000741020_100000068409 [0,2,0,0,0,0|2,0,0]=4 15333 B19R2.444023 CCN(CCc1ccccn1)C2CCCCCC2 2230a_114901603759_100015183660 [0,2,0,0,0,0|1,0,0]=3 15334 B19R2.444023 CCN(CCc1ccccn1)C2CCCCCC2 269982a_100000227201_100011217769 [0,2,0,0,0,0|1,0,0]=3 15335 B19R2.444023 CCN(CCc1ccccn1)C2CCCCCC2 269982a_114901603759_100015183660 [0,2,0,0,0,0|1,0,0]=3 15336 B19R2.444023 CCN(CCc1ccccn1)C2CCCCCC2 270004a_100000227201_100000210131 [0,2,0,0,0,0|1,0,0]=3 15337 B19R2.444023 CCN(CCc1ccccn1)C2CCCNCC2 270004a_100000227201_100015187895 [0,2,0,0,0,0|2,0,0]=4 15338 B19R2.444023 CCN(CCc1cccnc1)C2CCCCCC2 2230a_114901603759_200011713674 [0,2,0,0,0,0|1,0,0]=3 15339 B19R2.444023 CCN(CCc1cccnc1)C2CCCCCC2 269982a_114901603759_200011713674 [0,2,0,0,0,0|1,0,0]=3 15340 B19R2.444023 CCN(CCc1ccncc1)C2CCCCCC2 2230a_114901603759_100000723409 [0,2,0,0,0,0|1,0,0]=3 15341 B19R2.444023 CCN(CCc1ccncc1)C2CCCCCC2 269982a_114901603759_100000723409 [0,2,0,0,0,0|1,0,0]=3 15342 B19R2.444023 CCN(CSc1ccccc1)C2CCCCCC2 2230a_114901603759_100011218342 [0,2,0,0,0,0|1,0,0]=3 15343 B19R2.444023 CCN(CSc1ccccc1)C2CCCCCC2 269982a_114901603759_100011218342 [0,2,0,0,0,0|1,0,0]=3 15344 B19R2.4506526 O=S(=O)(CCc1ccccc1)N2CCCCCC2 270084a_100000185865_100000738789 [0,2,0,0,0,0|2,0,0]=4 15345 B19R2.4506526 O=S(=O)(CCc1ccccc1)N2CCCCCC2 274078a_100000185865_100000738789 [0,2,0,0,0,0|2,0,0]=4 15346 B15R0.2002 C=CC=CC(=O)CCCCCCCCCC 1458a_100016291481_100000210319 [0,0,2,0,0,0|2,0,0]=4 15347 B17R2.3 CCCCCCNC1CCc2c1cccc2 2230a_100000210581_200000721974 [0,0,1,1,0,0|2,0,0]=4 15348 B17R2.3 CCCCCCNC1CCc2c1cccc2 269862a_100000210581_100000212051 [0,0,1,1,0,0|2,0,0]=4 15349 B17R2.3 CCCCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210314 [0,0,1,1,0,0|2,0,0]=4 15350 B17R2.3 CCCCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210314 [0,0,1,1,0,0|2,0,0]=4 15351 B17R2.3 CCCCCCOC1CCc2c1cccc2 34a_100000212247_100000210314 [0,0,1,1,0,0|2,0,0]=4 15352 B17R2.3 CCCCCCOC1CCc2c1cccc2 7a_100000212247_100000210314 [0,0,1,1,0,0|2,0,0]=4 15353 B17R2.3 CCCCCCSC1CCc2c1cccc2 62a_100000210314_200000721974 [0,0,1,1,0,0|2,0,0]=4 15354 B17R2.3 CCCCCNCC1CCc2c1cccc2 2230a_100020632452_100000210326 [0,0,1,1,0,0|2,0,0]=4 15355 B17R2.3 CCCCCNCC1CCc2c1cccc2 34a_100020632452_100000718602 [0,0,1,1,0,0|2,0,0]=4 15356 B17R2.3 CCCCNCCN1CCc2c1cccc2 2230a_100000741946_100000210211 [0,0,1,1,0,0|1,0,0]=3 15357 B17R2.3 CCCNCCCN1CCc2c1cccc2 2230a_100011191709_100000210303 [0,0,1,1,0,0|1,0,0]=3 15358 B17R2.3 COCCNCCN1CCc2c1cccc2 2230a_100000741946_100011201679 [0,0,1,1,0,0|2,0,0]=4 15359 B17R2.3 COCNCCCN1CCc2c1cccc2 2230a_100011191709_100000766300 [0,0,1,1,0,0|2,0,0]=4 15360 B17R2.3 CSCCNCCN1CCc2c1cccc2 2230a_100000741946_100000751147 [0,0,1,1,0,0|2,0,0]=4 15361 B17R2.3 CSCNCCCN1CCc2c1cccc2 2230a_100011191709_100011218213 [0,0,1,1,0,0|2,0,0]=4 15362 B17R2.3 FCCCNCCN1CCc2c1cccc2 2230a_100000741946_100011934791 [0,0,1,1,0,0|2,0,0]=4 15363 B17R2.3 FCCNCCCN1CCc2c1cccc2 2230a_100011191709_100011217306 [0,0,1,1,0,0|2,0,0]=4 15364 B17R2.3 OCCCNCCN1CCc2c1cccc2 2230a_100000741946_100000230001 [0,0,1,1,0,0|2,0,0]=4 15365 B17R2.3 OCCNCCCN1CCc2c1cccc2 2230a_100011191709_100000211926 [0,0,1,1,0,0|2,0,0]=4 15366 B17R2.87 CCCC1CCCCN1Cc2ccccc2 2230a_100000701414_100015291786 [0,0,1,1,0,0|2,0,0]=4 15367 B17R2.87 CCCC1CCCCN1Cc2ccccc2 269982a_100000701414_100000211182 [0,0,1,1,0,0|2,0,0]=4 15368 B17R2.87 CCCC1CCCCN1Cc2ccccc2 270004a_100000701414_100015611070 [0,0,1,1,0,0|2,0,0]=4 15369 B17R2.87 CCCC1CCCCN1Cc2ccccc2 34a_100000701414_100015291786 [0,0,1,1,0,0|2,0,0]=4 15370 B17R2.87 CCCN1CCCCC1Cc2ccccc2 2230a_100000748602_100000210303 [0,0,1,1,0,0|2,0,0]=4 15371 B17R2.87 CCCN1CCCCC1Cc2ccccc2 269982a_100000748602_100000210303 [0,0,1,1,0,0|2,0,0]=4 15372 B17R2.87 CCCN1CCCCC1Cc2ccccc2 34a_100000748602_100000210303 [0,0,1,1,0,0|2,0,0]=4 15373 B17R2.87 CCNC1CCCCC1Cc2ccccc2 269862a_100015525214_100011217200 [0,0,1,1,0,0|2,0,0]=4 15374 B17R2.87 CCNC1CCCCC1Cc2ccccc2 270004a_100015525214_100011217200 [0,0,1,1,0,0|2,0,0]=4 15375 B17R2.92 CCCC1CCCC1NCc2ccccc2 269862a_100015324214_100000723119 [0,0,1,1,0,0|2,0,0]=4 15376 B17R2.92 CCCC1CCCC1NCc2ccccc2 270004a_100015324214_100000723119 [0,0,1,1,0,0|2,0,0]=4 15377 B17R2.92 CCCN1CCCC1CCc2ccccc2 2230a_100000741814_100000210303 [0,0,1,1,0,0|2,0,0]=4 15378 B17R2.92 CCCN1CCCC1CCc2ccccc2 269982a_100000741814_100000210303 [0,0,1,1,0,0|2,0,0]=4 15379 B17R2.92 CCCN1CCCC1CCc2ccccc2 34a_100000741814_100000210303 [0,0,1,1,0,0|2,0,0]=4 15380 B17R2.92 COC[C@@H]1CCCN1CCc2ccccc2 2230a_100020646714_100000765856 [0,0,1,1,0,0|1,0,0]=3 15381 B17R2.92 COC[C@@H]1CCCN1CCc2ccccc2 269982a_100020646714_100000765856 [0,0,1,1,0,0|1,0,0]=3 15382 B17R2.92 COC[C@@H]1CCCN1CCc2ccccc2 34a_100020646714_100000765856 [0,0,1,1,0,0|1,0,0]=3 15383 B17R2.92 COC[C@@H]1CCCN1CCc2ccccn2 2230a_100020646714_100015183660 [0,0,1,1,0,0|2,0,0]=4 15384 B17R2.92 COC[C@@H]1CCCN1CCc2ccccn2 269982a_100020646714_100015183660 [0,0,1,1,0,0|2,0,0]=4 15385 B17R2.92 COC[C@@H]1CCCN1CCc2cccnc2 2230a_100020646714_200011713674 [0,0,1,1,0,0|2,0,0]=4 15386 B17R2.92 COC[C@@H]1CCCN1CCc2cccnc2 269982a_100020646714_200011713674 [0,0,1,1,0,0|2,0,0]=4 15387 B17R2.92 COC[C@@H]1CCCN1CCc2ccncc2 2230a_100020646714_100000723409 [0,0,1,1,0,0|2,0,0]=4 15388 B17R2.92 COC[C@@H]1CCCN1CCc2ccncc2 269982a_100020646714_100000723409 [0,0,1,1,0,0|2,0,0]=4 15389 B17R2.92 COC[C@@H]1CCCN1CSc2ccccc2 2230a_100020646714_100011218342 [0,0,1,1,0,0|2,0,0]=4 15390 B17R2.92 COC[C@@H]1CCCN1CSc2ccccc2 269982a_100020646714_100011218342 [0,0,1,1,0,0|2,0,0]=4 15391 B17R2.185 CCCCN1CCCC1Cc2ccccc2 2230a_100159249835_100000210211 [0,0,1,1,0,0|2,0,0]=4 15392 B17R2.185 CCCCN1CCCC1Cc2ccccc2 269982a_100159249835_100000210211 [0,0,1,1,0,0|2,0,0]=4 15393 B17R2.185 CCCCN1CCCC1Cc2ccccc2 34a_100159249835_100000210210 [0,0,1,1,0,0|2,0,0]=4 15394 B17R2.185 CCCNC1CCCC1Cc2ccccc2 269862a_100020643023_200000757594 [0,0,1,1,0,0|2,0,0]=4 15395 B17R2.185 CCCNC1CCCC1Cc2ccccc2 270004a_100020643023_200000757594 [0,0,1,1,0,0|2,0,0]=4 15396 B17R2.242 CCCCN1CCCCC1c2ccccc2 2230a_100000707174_100000210211 [0,0,1,1,0,0|2,0,0]=4 15397 B17R2.242 CCCCN1CCCCC1c2ccccc2 269982a_100000707174_100000210211 [0,0,1,1,0,0|2,0,0]=4 15398 B17R2.242 CCCCN1CCCCC1c2ccccc2 34a_100000707174_100000210210 [0,0,1,1,0,0|2,0,0]=4 15399 B17R2.242 CCCCN1CCOCC1c2ccccc2 2230a_100000765270_100000210211 [0,0,1,1,0,0|2,0,0]=4 15400 B17R2.242 CCCCN1CCOCC1c2ccccc2 269982a_100000765270_100000210211 [0,0,1,1,0,0|2,0,0]=4 15401 B17R2.242 CCCCN1CCOCC1c2ccccc2 34a_100000765270_100000210210 [0,0,1,1,0,0|2,0,0]=4 15402 B17R2.242 CCCCN1CCSCC1c2ccccc2 2230a_102495339932_100000210211 [0,0,1,1,0,0|2,0,0]=4 15403 B17R2.242 CCCCN1CCSCC1c2ccccc2 269982a_102495339932_100000210211 [0,0,1,1,0,0|2,0,0]=4 15404 B17R2.242 CCCCN1CCSCC1c2ccccc2 7a_102495339932_100000210211 [0,0,1,1,0,0|2,0,0]=4 15405 B17R2.242 CCCNC1CCCCC1c2ccccc2 270004a_100020643023_100000212245 [0,0,1,1,0,0|2,0,0]=4 15406 B17R2.242 CCCO[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_100000210303 [0,0,1,1,0,0|2,0,0]=4 15407 B17R2.242 CCCO[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_100000210303 [0,0,1,1,0,0|2,0,0]=4 15408 B17R2.262 C#CC1CCCCN1CCc2ccccc2 2230a_200020621307_100000765856 [0,0,1,1,0,0|0,0,2]=4 15409 B17R2.262 C#CC1CCCCN1CCc2ccccc2 269982a_200020621307_100000765856 [0,0,1,1,0,0|0,0,2]=4 15410 B17R2.262 C#CC1CCCCN1CCc2ccccc2 34a_200020621307_100000765856 [0,0,1,1,0,0|0,0,2]=4 15411 B17R2.262 CCC1CCCCC1NCc2ccccc2 269862a_100015324214_100000757040 [0,0,1,1,0,0|2,0,0]=4 15412 B17R2.262 CCC1CCCCC1NCc2ccccc2 270004a_100015324214_100000757040 [0,0,1,1,0,0|2,0,0]=4 15413 B17R2.262 CCC1CCCCC1OCc2ccccc2 34a_100000210738_100015291786 [0,0,1,1,0,0|2,0,0]=4 15414 B17R2.262 CCC1CCCCC1OCc2ccccc2 7a_100000210738_100000211182 [0,0,1,1,0,0|2,0,0]=4 15415 B17R2.262 CCC1CCCCN1CCc2ccccc2 2230a_100000210034_100000765856 [0,0,1,1,0,0|0,0,0]=2 15416 B17R2.262 CCC1CCCCN1CCc2ccccc2 269982a_100000210034_100000765856 [0,0,1,1,0,0|0,0,0]=2 15417 B17R2.262 CCC1CCCCN1CCc2ccccc2 34a_100000210034_100000765856 [0,0,1,1,0,0|0,0,0]=2 15418 B17R2.262 CCC1CCCCN1CCc2ccccn2 2230a_100000210034_100015183660 [0,0,1,1,0,0|1,0,0]=3 15419 B17R2.262 CCC1CCCCN1CCc2ccccn2 269982a_100000210034_100015183660 [0,0,1,1,0,0|1,0,0]=3 15420 B17R2.262 CCC1CCCCN1CCc2cccnc2 2230a_100000210034_200011713674 [0,0,1,1,0,0|1,0,0]=3 15421 B17R2.262 CCC1CCCCN1CCc2cccnc2 269982a_100000210034_200011713674 [0,0,1,1,0,0|1,0,0]=3 15422 B17R2.262 CCC1CCCCN1CCc2ccncc2 2230a_100000210034_100000723409 [0,0,1,1,0,0|1,0,0]=3 15423 B17R2.262 CCC1CCCCN1CCc2ccncc2 269982a_100000210034_100000723409 [0,0,1,1,0,0|1,0,0]=3 15424 B17R2.262 CCC1CCCCN1CSc2ccccc2 2230a_100000210034_100011218342 [0,0,1,1,0,0|1,0,0]=3 15425 B17R2.262 CCC1CCCCN1CSc2ccccc2 269982a_100000210034_100011218342 [0,0,1,1,0,0|1,0,0]=3 15426 B17R2.262 CCN1CCCCC1CCc2ccccc2 2230a_100025719017_100000210202 [0,0,1,1,0,0|2,0,0]=4 15427 B17R2.262 CCN1CCCCC1CCc2ccccc2 269982a_100025719017_100000204670 [0,0,1,1,0,0|2,0,0]=4 15428 B17R2.262 CCN1CCCCC1CCc2ccccc2 34a_100025719017_100000210202 [0,0,1,1,0,0|2,0,0]=4 15429 B17R2.262 CC[C@H]1COCCN1CCc2ccccc2 2230a_100016988097_100000765856 [0,0,1,1,0,0|1,0,0]=3 15430 B17R2.262 CC[C@H]1COCCN1CCc2ccccc2 269982a_100016988097_100000765856 [0,0,1,1,0,0|1,0,0]=3 15431 B17R2.262 CC[C@H]1COCCN1CCc2ccccc2 34a_100016988097_100000765856 [0,0,1,1,0,0|1,0,0]=3 15432 B17R2.262 CC[C@H]1COCCN1CCc2ccccn2 2230a_100016988097_100015183660 [0,0,1,1,0,0|2,0,0]=4 15433 B17R2.262 CC[C@H]1COCCN1CCc2ccccn2 269982a_100016988097_100015183660 [0,0,1,1,0,0|2,0,0]=4 15434 B17R2.262 CC[C@H]1COCCN1CCc2cccnc2 2230a_100016988097_200011713674 [0,0,1,1,0,0|2,0,0]=4 15435 B17R2.262 CC[C@H]1COCCN1CCc2cccnc2 269982a_100016988097_200011713674 [0,0,1,1,0,0|2,0,0]=4 15436 B17R2.262 CC[C@H]1COCCN1CCc2ccncc2 2230a_100016988097_100000723409 [0,0,1,1,0,0|2,0,0]=4 15437 B17R2.262 CC[C@H]1COCCN1CCc2ccncc2 269982a_100016988097_100000723409 [0,0,1,1,0,0|2,0,0]=4 15438 B17R2.262 CC[C@H]1COCCN1CSc2ccccc2 2230a_100016988097_100011218342 [0,0,1,1,0,0|2,0,0]=4 15439 B17R2.262 CC[C@H]1COCCN1CSc2ccccc2 269982a_100016988097_100011218342 [0,0,1,1,0,0|2,0,0]=4 15440 B17R2.262 N#CC1CCCCN1CCc2ccccc2 34a_100016989756_100000765856 [0,0,1,1,0,0|1,0,1]=4 15441 B17R2.262 OCC1CCCCN1CCc2ccccc2 2230a_100000210821_100000765856 [0,0,1,1,0,0|1,0,0]=3 15442 B17R2.262 OCC1CCCCN1CCc2ccccc2 269982a_100000210821_100000765856 [0,0,1,1,0,0|1,0,0]=3 15443 B17R2.262 OCC1CCCCN1CCc2ccccc2 34a_100000210821_100000765856 [0,0,1,1,0,0|1,0,0]=3 15444 B17R2.262 OCC1CCCCN1CCc2ccccn2 2230a_100000210821_100015183660 [0,0,1,1,0,0|2,0,0]=4 15445 B17R2.262 OCC1CCCCN1CCc2ccccn2 269982a_100000210821_100015183660 [0,0,1,1,0,0|2,0,0]=4 15446 B17R2.262 OCC1CCCCN1CCc2cccnc2 2230a_100000210821_200011713674 [0,0,1,1,0,0|2,0,0]=4 15447 B17R2.262 OCC1CCCCN1CCc2cccnc2 269982a_100000210821_200011713674 [0,0,1,1,0,0|2,0,0]=4 15448 B17R2.262 OCC1CCCCN1CCc2ccncc2 2230a_100000210821_100000723409 [0,0,1,1,0,0|2,0,0]=4 15449 B17R2.262 OCC1CCCCN1CCc2ccncc2 269982a_100000210821_100000723409 [0,0,1,1,0,0|2,0,0]=4 15450 B17R2.262 OCC1CCCCN1CSc2ccccc2 2230a_100000210821_100011218342 [0,0,1,1,0,0|2,0,0]=4 15451 B17R2.262 OCC1CCCCN1CSc2ccccc2 269982a_100000210821_100011218342 [0,0,1,1,0,0|2,0,0]=4 15452 B17R2.262 OC[C@@H]1COCCN1CCc2ccccc2 2230a_100000717676_100000765856 [0,0,1,1,0,0|2,0,0]=4 15453 B17R2.262 OC[C@@H]1COCCN1CCc2ccccc2 269982a_100000717676_100000765856 [0,0,1,1,0,0|2,0,0]=4 15454 B17R2.262 OC[C@@H]1COCCN1CCc2ccccc2 34a_100000717676_100000765856 [0,0,1,1,0,0|2,0,0]=4 15455 B17R2.274 CCCCCN1CCCC1c2ccccc2 2230a_100000243309_100000210326 [0,0,1,1,0,0|2,0,0]=4 15456 B17R2.274 CCCCCN1CCCC1c2ccccc2 269982a_100000243309_100000210215 [0,0,1,1,0,0|2,0,0]=4 15457 B17R2.274 CCCCCN1CCCC1c2ccccc2 34a_100000243309_100000718602 [0,0,1,1,0,0|2,0,0]=4 15458 B17R2.274 CCCCN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_100000210211 [0,0,1,1,0,0|2,0,0]=4 15459 B17R2.274 CCCCN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_100000210210 [0,0,1,1,0,0|2,0,0]=4 15460 B17R2.274 CCCCOC1COCC1c2ccccc2 34a_100010739164_100000210210 [0,0,1,1,0,0|2,0,0]=4 15461 B17R2.274 CCCCOC1COCC1c2ccccc2 7a_100010739164_100000210211 [0,0,1,1,0,0|2,0,0]=4 15462 B17R2.1085 CCC1CCCC1NCCc2ccccc2 269862a_100000106460_100000749056 [0,0,1,1,0,0|0,0,0]=2 15463 B17R2.1085 CCC1CCCC1NCCc2ccccc2 270004a_100000106460_100000749056 [0,0,1,1,0,0|0,0,0]=2 15464 B17R2.1085 CCC1CCCC1NCCc2ccccn2 269862a_100000211156_100000749056 [0,0,1,1,0,0|1,0,0]=3 15465 B17R2.1085 CCC1CCCC1NCCc2ccccn2 270004a_100000211156_100000749056 [0,0,1,1,0,0|1,0,0]=3 15466 B17R2.1085 CCC1CCCC1NCCc2cccnc2 269862a_100000736294_100000749056 [0,0,1,1,0,0|1,0,0]=3 15467 B17R2.1085 CCC1CCCC1NCCc2cccnc2 270004a_100000736294_100000749056 [0,0,1,1,0,0|1,0,0]=3 15468 B17R2.1085 CCC1CCCC1NCCc2ccncc2 269862a_100000742849_100000749056 [0,0,1,1,0,0|1,0,0]=3 15469 B17R2.1085 CCC1CCCC1NCCc2ccncc2 270004a_100000742849_100000749056 [0,0,1,1,0,0|1,0,0]=3 15470 B17R2.1085 CCC1CCCC1NCCc2cnccn2 269862a_100000723456_100000749056 [0,0,1,1,0,0|2,0,0]=4 15471 B17R2.1085 CCC1CCCC1NCCc2cnccn2 270004a_100000723456_100000749056 [0,0,1,1,0,0|2,0,0]=4 15472 B17R2.1085 CCC1CCCN1CCCc2ccccc2 2230a_100000754278_100000211621 [0,0,1,1,0,0|2,0,0]=4 15473 B17R2.1085 CCC1CCCN1CCCc2ccccc2 269982a_100000754278_100000211621 [0,0,1,1,0,0|2,0,0]=4 15474 B17R2.1085 CCC1CCCN1CCCc2ccccc2 34a_100000754278_100000211621 [0,0,1,1,0,0|2,0,0]=4 15475 B17R2.1994 CCCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210314 [0,0,1,1,0,0|2,0,0]=4 15476 B17R2.1994 CCCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210314 [0,0,1,1,0,0|2,0,0]=4 15477 B17R2.1994 CCCCCOCC1CC1c2ccccc2 34a_100011997005_100000718602 [0,0,1,1,0,0|2,0,0]=4 15478 B17R2.1994 CCCCCOCC1CC1c2ccccc2 7a_100011997005_100000210326 [0,0,1,1,0,0|2,0,0]=4 15479 B17R2.2382 C(=NNCC1CCCCC1)c2ccccc2 4a_100000740227_100015611070 [0,0,1,1,0,0|1,0,1]=4 15480 B17R2.2382 C1=CCC(CC1)CNCCc2ccccc2 270004a_100000106460_100000189434 [0,0,1,1,0,0|0,0,2]=4 15481 B17R2.2382 c1cc(ccn1)CCNCC2CCCCC2 2230a_100000210473_100000723409 [0,0,1,1,0,0|1,0,0]=3 15482 B17R2.2382 c1cc(ccn1)CCNCC2CCCCC2 269862a_100000742849_100000211278 [0,0,1,1,0,0|1,0,0]=3 15483 B17R2.2382 c1cc(ccn1)CCNCC2CCCCO2 2230a_100000174945_100000723409 [0,0,1,1,0,0|2,0,0]=4 15484 B17R2.2382 c1cc(ccn1)CCNCC2CCCOC2 2230a_100000720124_100000723409 [0,0,1,1,0,0|2,0,0]=4 15485 B17R2.2382 c1cc(ccn1)CCNCC2CCOCC2 2230a_100000746373_100000723409 [0,0,1,1,0,0|2,0,0]=4 15486 B17R2.2382 c1cc(ccn1)CCNCC2CCOCC2 269862a_100000742849_100000749017 [0,0,1,1,0,0|2,0,0]=4 15487 B17R2.2382 c1cc(ccn1)CCNCC2CCSCC2 2230a_100015188806_100000723409 [0,0,1,1,0,0|2,0,0]=4 15488 B17R2.2382 c1cc(ccn1)CCNCC2CCSCC2 269862a_100000742849_100000067145 [0,0,1,1,0,0|2,0,0]=4 15489 B17R2.2382 c1cc(ccn1)CCNCC2CCSCC2 270004a_100000742849_100000067145 [0,0,1,1,0,0|2,0,0]=4 15490 B17R2.2382 c1cc(ccn1)CCOCC2CCCCC2 34a_100011216225_100000211423 [0,0,1,1,0,0|2,0,0]=4 15491 B17R2.2382 c1cc(ccn1)CCOCC2CCCCC2 7a_100000212181_100000723409 [0,0,1,1,0,0|2,0,0]=4 15492 B17R2.2382 c1cc(ccn1)CCSCC2CCCCC2 62a_100000211423_100000723409 [0,0,1,1,0,0|2,0,0]=4 15493 B17R2.2382 c1cc(ccn1)CCSCC2CCCCC2 62a_100000723409_100000211423 [0,0,1,1,0,0|2,0,0]=4 15494 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 2230a_100000182618_100000211621 [0,0,1,1,0,0|2,0,0]=4 15495 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 270004a_100000211184_100000210434 [0,0,1,1,0,0|2,0,0]=4 15496 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 34a_100000182618_100000211621 [0,0,1,1,0,0|2,0,0]=4 15497 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 34a_100000211184_100000210327 [0,0,1,1,0,0|2,0,0]=4 15498 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 34a_100000210231_100000211621 [0,0,1,1,0,0|2,0,0]=4 15499 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 34a_100000210828_100000210327 [0,0,1,1,0,0|2,0,0]=4 15500 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 7a_100000210231_100000211621 [0,0,1,1,0,0|2,0,0]=4 15501 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 7a_100000210828_100000210327 [0,0,1,1,0,0|2,0,0]=4 15502 B17R2.2382 c1ccc(cc1)CCCSC2CCCCC2 62a_100000210327_100000211621 [0,0,1,1,0,0|2,0,0]=4 15503 B17R2.2382 c1ccc(cc1)CCCSC2CCCCC2 62a_100000211621_100000210327 [0,0,1,1,0,0|2,0,0]=4 15504 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 2230a_100000106460_100000211423 [0,0,1,1,0,0|0,0,0]=2 15505 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 2230a_100000210473_100000765856 [0,0,1,1,0,0|0,0,0]=2 15506 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 269862a_100000106460_100000211278 [0,0,1,1,0,0|0,0,0]=2 15507 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 34a_100000106460_100000211423 [0,0,1,1,0,0|0,0,0]=2 15508 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 34a_100000210473_100000765856 [0,0,1,1,0,0|0,0,0]=2 15509 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 2230a_100000106460_100000211543 [0,0,1,1,0,0|1,0,0]=3 15510 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 2230a_100000174945_100000765856 [0,0,1,1,0,0|1,0,0]=3 15511 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 34a_100000106460_100000211543 [0,0,1,1,0,0|1,0,0]=3 15512 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 34a_100000174945_100000765856 [0,0,1,1,0,0|1,0,0]=3 15513 B17R2.2382 c1ccc(cc1)CCNCC2CCCOC2 2230a_100000106460_100000741521 [0,0,1,1,0,0|1,0,0]=3 15514 B17R2.2382 c1ccc(cc1)CCNCC2CCCOC2 2230a_100000720124_100000765856 [0,0,1,1,0,0|1,0,0]=3 15515 B17R2.2382 c1ccc(cc1)CCNCC2CCCOC2 34a_100000106460_100000741521 [0,0,1,1,0,0|1,0,0]=3 15516 B17R2.2382 c1ccc(cc1)CCNCC2CCCOC2 34a_100000720124_100000765856 [0,0,1,1,0,0|1,0,0]=3 15517 B17R2.2382 c1ccc(cc1)CCNCC2CCOCC2 2230a_100000106460_100000754603 [0,0,1,1,0,0|1,0,0]=3 15518 B17R2.2382 c1ccc(cc1)CCNCC2CCOCC2 2230a_100000746373_100000765856 [0,0,1,1,0,0|1,0,0]=3 15519 B17R2.2382 c1ccc(cc1)CCNCC2CCOCC2 269862a_100000106460_100000749017 [0,0,1,1,0,0|1,0,0]=3 15520 B17R2.2382 c1ccc(cc1)CCNCC2CCOCC2 34a_100000106460_100000754603 [0,0,1,1,0,0|1,0,0]=3 15521 B17R2.2382 c1ccc(cc1)CCNCC2CCOCC2 34a_100000746373_100000765856 [0,0,1,1,0,0|1,0,0]=3 15522 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 2230a_100015188806_100000765856 [0,0,1,1,0,0|1,0,0]=3 15523 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 269862a_100000106460_100000067145 [0,0,1,1,0,0|1,0,0]=3 15524 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 270004a_100000106460_100000067145 [0,0,1,1,0,0|1,0,0]=3 15525 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 34a_100015188806_100000765856 [0,0,1,1,0,0|1,0,0]=3 15526 B17R2.2382 c1ccc(cc1)CCNC[C@H]2COCCO2 2230a_100010981119_100000765856 [0,0,1,1,0,0|2,0,0]=4 15527 B17R2.2382 c1ccc(cc1)CCNC[C@H]2COCCO2 34a_100010981119_100000765856 [0,0,1,1,0,0|2,0,0]=4 15528 B17R2.2382 c1ccc(cc1)CCNN=C2CCCCC2 4a_100000740470_100000210434 [0,0,1,1,0,0|1,0,1]=4 15529 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 34a_100000210268_100000211423 [0,0,1,1,0,0|1,0,0]=3 15530 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 34a_100000212181_100000765856 [0,0,1,1,0,0|1,0,0]=3 15531 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 7a_100000210268_100000211423 [0,0,1,1,0,0|1,0,0]=3 15532 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 7a_100000212181_100000765856 [0,0,1,1,0,0|1,0,0]=3 15533 B17R2.2382 c1ccc(cc1)CCOCC2CCCCN2 34a_100000210821_100000765856 [0,0,1,1,0,0|2,0,0]=4 15534 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 34a_100000210268_100000211543 [0,0,1,1,0,0|2,0,0]=4 15535 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 34a_100000211370_100000765856 [0,0,1,1,0,0|2,0,0]=4 15536 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 7a_100000210268_100000211543 [0,0,1,1,0,0|2,0,0]=4 15537 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 7a_100000211370_100000765856 [0,0,1,1,0,0|2,0,0]=4 15538 B17R2.2382 c1ccc(cc1)CCOCC2CCCNC2 34a_100000211344_100000765856 [0,0,1,1,0,0|2,0,0]=4 15539 B17R2.2382 c1ccc(cc1)CCOCC2CCCOC2 34a_100000210268_100000741521 [0,0,1,1,0,0|2,0,0]=4 15540 B17R2.2382 c1ccc(cc1)CCOCC2CCCOC2 34a_100000741520_100000765856 [0,0,1,1,0,0|2,0,0]=4 15541 B17R2.2382 c1ccc(cc1)CCOCC2CCCOC2 7a_100000210268_100000741521 [0,0,1,1,0,0|2,0,0]=4 15542 B17R2.2382 c1ccc(cc1)CCOCC2CCNCC2 34a_100000738675_100000765856 [0,0,1,1,0,0|2,0,0]=4 15543 B17R2.2382 c1ccc(cc1)CCOCC2CCOCC2 34a_100000210268_100000754603 [0,0,1,1,0,0|2,0,0]=4 15544 B17R2.2382 c1ccc(cc1)CCOCC2CCOCC2 34a_100000749013_100000765856 [0,0,1,1,0,0|2,0,0]=4 15545 B17R2.2382 c1ccc(cc1)CCOCC2CCOCC2 7a_100000210268_100000754603 [0,0,1,1,0,0|2,0,0]=4 15546 B17R2.2382 c1ccc(cc1)CCOCC2CCSCC2 34a_100000070558_100000765856 [0,0,1,1,0,0|2,0,0]=4 15547 B17R2.2382 c1ccc(cc1)CCOCC2CCSCC2 7a_100000070558_100000765856 [0,0,1,1,0,0|2,0,0]=4 15548 B17R2.2382 c1ccc(cc1)CCSCC2CCCCC2 62a_100000211423_100011218657 [0,0,1,1,0,0|1,0,0]=3 15549 B17R2.2382 c1ccc(cc1)CCSCC2CCCCC2 62a_100000765856_100000211423 [0,0,1,1,0,0|1,0,0]=3 15550 B17R2.2382 c1ccc(cc1)CCSCC2CCCCO2 62a_100000211543_100011218657 [0,0,1,1,0,0|2,0,0]=4 15551 B17R2.2382 c1ccc(cc1)CCSCC2CCCCO2 62a_100000765856_100000211543 [0,0,1,1,0,0|2,0,0]=4 15552 B17R2.2382 c1ccc(cc1)CCSCC2CCCOC2 62a_100000741521_100011218657 [0,0,1,1,0,0|2,0,0]=4 15553 B17R2.2382 c1ccc(cc1)CCSCC2CCCOC2 62a_100000765856_100000741521 [0,0,1,1,0,0|2,0,0]=4 15554 B17R2.2382 c1ccc(cc1)CCSCC2CCOCC2 62a_100000754603_100011218657 [0,0,1,1,0,0|2,0,0]=4 15555 B17R2.2382 c1ccc(cc1)CCSCC2CCOCC2 62a_100000765856_100000749018 [0,0,1,1,0,0|2,0,0]=4 15556 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 207a_100000738074_100015611070 [0,0,1,1,0,0|2,0,0]=4 15557 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 2230a_100000738074_100015291786 [0,0,1,1,0,0|2,0,0]=4 15558 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 2230a_100015324214_100012355289 [0,0,1,1,0,0|2,0,0]=4 15559 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 270004a_100000738074_100015611070 [0,0,1,1,0,0|2,0,0]=4 15560 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 270004a_100015324214_100011713444 [0,0,1,1,0,0|2,0,0]=4 15561 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 34a_100000738074_100015291786 [0,0,1,1,0,0|2,0,0]=4 15562 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 34a_100015324214_100011209188 [0,0,1,1,0,0|2,0,0]=4 15563 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 34a_100000210790_100011209188 [0,0,1,1,0,0|2,0,0]=4 15564 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 34a_100011217863_100015291786 [0,0,1,1,0,0|2,0,0]=4 15565 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 7a_100000210790_100011273959 [0,0,1,1,0,0|2,0,0]=4 15566 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 7a_100011217863_100000211182 [0,0,1,1,0,0|2,0,0]=4 15567 B17R2.2382 c1ccc(cc1)CSCCC2CCCCC2 62a_100000211182_100012355289 [0,0,1,1,0,0|2,0,0]=4 15568 B17R2.2382 c1ccc(cc1)CSCCC2CCCCC2 62a_100012355289_100015291786 [0,0,1,1,0,0|2,0,0]=4 15569 B17R2.2382 c1ccc(cc1)NCCCC2CCCCC2 34a_100000106764_100011713725 [0,0,1,1,0,0|2,0,0]=4 15570 B17R2.2382 c1ccc(cc1)OCCCC2CCCCC2 34a_100000210340_100011713725 [0,0,1,1,0,0|2,0,0]=4 15571 B17R2.2382 c1ccc(cc1)OCCCC2CCCCC2 7a_100000210340_100011713725 [0,0,1,1,0,0|2,0,0]=4 15572 B17R2.2382 c1ccc(cc1)SCCCC2CCCCC2 62a_100000719477_100011713725 [0,0,1,1,0,0|2,0,0]=4 15573 B17R2.2382 c1ccc(cc1)SCCCC2CCCCC2 62a_100011713725_100000041952 [0,0,1,1,0,0|2,0,0]=4 15574 B17R2.2382 c1ccc(cc1)SCNCC2CCCCC2 2230a_100000210473_100011218342 [0,0,1,1,0,0|1,0,0]=3 15575 B17R2.2382 c1ccc(cc1)SCNCC2CCCCO2 2230a_100000174945_100011218342 [0,0,1,1,0,0|2,0,0]=4 15576 B17R2.2382 c1ccc(cc1)SCNCC2CCCOC2 2230a_100000720124_100011218342 [0,0,1,1,0,0|2,0,0]=4 15577 B17R2.2382 c1ccc(cc1)SCNCC2CCOCC2 2230a_100000746373_100011218342 [0,0,1,1,0,0|2,0,0]=4 15578 B17R2.2382 c1ccc(cc1)SCNCC2CCSCC2 2230a_100015188806_100011218342 [0,0,1,1,0,0|2,0,0]=4 15579 B17R2.2382 c1ccc(cc1)SCSCC2CCCCC2 62a_100000211423_100011218342 [0,0,1,1,0,0|2,0,0]=4 15580 B17R2.2382 c1ccc(cc1)SCSCC2CCCCC2 62a_100011218342_100000211423 [0,0,1,1,0,0|2,0,0]=4 15581 B17R2.2382 c1ccc(nc1)CCNCC2CCCCC2 2230a_100000210473_100015183660 [0,0,1,1,0,0|1,0,0]=3 15582 B17R2.2382 c1ccc(nc1)CCNCC2CCCCC2 269862a_100000211156_100000211278 [0,0,1,1,0,0|1,0,0]=3 15583 B17R2.2382 c1ccc(nc1)CCNCC2CCCCO2 2230a_100000174945_100015183660 [0,0,1,1,0,0|2,0,0]=4 15584 B17R2.2382 c1ccc(nc1)CCNCC2CCCOC2 2230a_100000720124_100015183660 [0,0,1,1,0,0|2,0,0]=4 15585 B17R2.2382 c1ccc(nc1)CCNCC2CCOCC2 2230a_100000746373_100015183660 [0,0,1,1,0,0|2,0,0]=4 15586 B17R2.2382 c1ccc(nc1)CCNCC2CCOCC2 269862a_100000211156_100000749017 [0,0,1,1,0,0|2,0,0]=4 15587 B17R2.2382 c1ccc(nc1)CCNCC2CCSCC2 2230a_100015188806_100015183660 [0,0,1,1,0,0|2,0,0]=4 15588 B17R2.2382 c1ccc(nc1)CCNCC2CCSCC2 269862a_100000211156_100000067145 [0,0,1,1,0,0|2,0,0]=4 15589 B17R2.2382 c1ccc(nc1)CCNCC2CCSCC2 270004a_100000211156_100000067145 [0,0,1,1,0,0|2,0,0]=4 15590 B17R2.2382 c1ccc(nc1)CCOCC2CCCCC2 34a_100000210271_100000211423 [0,0,1,1,0,0|2,0,0]=4 15591 B17R2.2382 c1ccc(nc1)CCOCC2CCCCC2 7a_100000212181_100015183660 [0,0,1,1,0,0|2,0,0]=4 15592 B17R2.2382 c1ccc(nc1)CCSCC2CCCCC2 62a_100000211423_100015183660 [0,0,1,1,0,0|2,0,0]=4 15593 B17R2.2382 c1ccc(nc1)CCSCC2CCCCC2 62a_100015183660_100000211423 [0,0,1,1,0,0|2,0,0]=4 15594 B17R2.2382 c1cnc(cn1)CCNCC2CCCCC2 269862a_100000723456_100000211278 [0,0,1,1,0,0|2,0,0]=4 15595 B17R2.2382 c1cncc(c1)CCNCC2CCCCC2 2230a_100000210473_200011713674 [0,0,1,1,0,0|1,0,0]=3 15596 B17R2.2382 c1cncc(c1)CCNCC2CCCCC2 2230a_100000736294_100000211423 [0,0,1,1,0,0|1,0,0]=3 15597 B17R2.2382 c1cncc(c1)CCNCC2CCCCC2 269862a_100000736294_100000211278 [0,0,1,1,0,0|1,0,0]=3 15598 B17R2.2382 c1cncc(c1)CCNCC2CCCCO2 2230a_100000174945_200011713674 [0,0,1,1,0,0|2,0,0]=4 15599 B17R2.2382 c1cncc(c1)CCNCC2CCCCO2 2230a_100000736294_100000211543 [0,0,1,1,0,0|2,0,0]=4 15600 B17R2.2382 c1cncc(c1)CCNCC2CCCOC2 2230a_100000720124_200011713674 [0,0,1,1,0,0|2,0,0]=4 15601 B17R2.2382 c1cncc(c1)CCNCC2CCCOC2 2230a_100000736294_100000741521 [0,0,1,1,0,0|2,0,0]=4 15602 B17R2.2382 c1cncc(c1)CCNCC2CCOCC2 2230a_100000736294_100000754603 [0,0,1,1,0,0|2,0,0]=4 15603 B17R2.2382 c1cncc(c1)CCNCC2CCOCC2 2230a_100000746373_200011713674 [0,0,1,1,0,0|2,0,0]=4 15604 B17R2.2382 c1cncc(c1)CCNCC2CCOCC2 269862a_100000736294_100000749017 [0,0,1,1,0,0|2,0,0]=4 15605 B17R2.2382 c1cncc(c1)CCNCC2CCSCC2 2230a_100015188806_200011713674 [0,0,1,1,0,0|2,0,0]=4 15606 B17R2.2382 c1cncc(c1)CCNCC2CCSCC2 269862a_100000736294_100000067145 [0,0,1,1,0,0|2,0,0]=4 15607 B17R2.2382 c1cncc(c1)CCNCC2CCSCC2 270004a_100000736294_100000067145 [0,0,1,1,0,0|2,0,0]=4 15608 B17R2.2382 c1cncc(c1)CCOCC2CCCCC2 34a_100011217484_100000211423 [0,0,1,1,0,0|2,0,0]=4 15609 B17R2.2382 c1cncc(c1)CCOCC2CCCCC2 7a_100000212181_200011713674 [0,0,1,1,0,0|2,0,0]=4 15610 B17R2.2382 c1cncc(c1)CCSCC2CCCCC2 62a_100000211423_200011713674 [0,0,1,1,0,0|2,0,0]=4 15611 B17R2.2382 c1cncc(c1)CCSCC2CCCCC2 62a_200011713674_100000211423 [0,0,1,1,0,0|2,0,0]=4 15612 B17R2.2383 C(=NNCCc1ccccc1)C2CCCC2 4a_100000740470_100000746403 [0,0,1,1,0,0|1,0,1]=4 15613 B17R2.2383 c1cc(ccn1)CCNCCC2CCCC2 2230a_100000739158_100000723409 [0,0,1,1,0,0|1,0,0]=3 15614 B17R2.2383 c1cc(ccn1)CCOCCC2CCCC2 34a_100011216225_100000760354 [0,0,1,1,0,0|2,0,0]=4 15615 B17R2.2383 c1cc(ccn1)CCOCCC2CCCC2 7a_100000749090_100000723409 [0,0,1,1,0,0|2,0,0]=4 15616 B17R2.2383 c1cc(ccn1)CCSCCC2CCCC2 62a_100000723409_100000760354 [0,0,1,1,0,0|2,0,0]=4 15617 B17R2.2383 c1cc(ccn1)CCSCCC2CCCC2 62a_100000760354_100000723409 [0,0,1,1,0,0|2,0,0]=4 15618 B17R2.2383 c1ccc(cc1)CCCCCN2CCCC2 2230a_100000188435_200011217138 [0,0,1,1,0,0|2,0,0]=4 15619 B17R2.2383 c1ccc(cc1)CCCCCN2CCCC2 269982a_100000188435_200011217138 [0,0,1,1,0,0|2,0,0]=4 15620 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 2230a_100000211070_100000701786 [0,0,1,1,0,0|2,0,0]=4 15621 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 2230a_100015280158_100000179811 [0,0,1,1,0,0|2,0,0]=4 15622 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 270004a_100015280158_100000210133 [0,0,1,1,0,0|2,0,0]=4 15623 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 34a_100000211070_100000701786 [0,0,1,1,0,0|2,0,0]=4 15624 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 34a_100015280158_100000179811 [0,0,1,1,0,0|2,0,0]=4 15625 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 34a_100000210269_100000701786 [0,0,1,1,0,0|2,0,0]=4 15626 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 34a_100000703073_100000179811 [0,0,1,1,0,0|2,0,0]=4 15627 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 7a_100000210269_100000701786 [0,0,1,1,0,0|2,0,0]=4 15628 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 7a_100000703073_100000179811 [0,0,1,1,0,0|2,0,0]=4 15629 B17R2.2383 c1ccc(cc1)CCCCSC2CCCC2 62a_100000701786_100000179811 [0,0,1,1,0,0|2,0,0]=4 15630 B17R2.2383 c1ccc(cc1)CCCCSC2CCCC2 62a_100011217020_100000701786 [0,0,1,1,0,0|2,0,0]=4 15631 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 2230a_100000211184_100000740388 [0,0,1,1,0,0|2,0,0]=4 15632 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 2230a_100000737975_100000211621 [0,0,1,1,0,0|2,0,0]=4 15633 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 269862a_100000211184_100000746403 [0,0,1,1,0,0|2,0,0]=4 15634 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 34a_100000211184_100000740388 [0,0,1,1,0,0|2,0,0]=4 15635 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 34a_100000737975_100000211621 [0,0,1,1,0,0|2,0,0]=4 15636 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 34a_100000210828_100000740388 [0,0,1,1,0,0|2,0,0]=4 15637 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 34a_100000742336_100000211621 [0,0,1,1,0,0|2,0,0]=4 15638 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 7a_100000210828_100000740388 [0,0,1,1,0,0|2,0,0]=4 15639 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 7a_100000742336_100000211621 [0,0,1,1,0,0|2,0,0]=4 15640 B17R2.2383 c1ccc(cc1)CCCSCC2CCCC2 62a_100000211621_100000740388 [0,0,1,1,0,0|2,0,0]=4 15641 B17R2.2383 c1ccc(cc1)CCCSCC2CCCC2 62a_100000740388_100000211621 [0,0,1,1,0,0|2,0,0]=4 15642 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 2230a_100000106460_100000760354 [0,0,1,1,0,0|0,0,0]=2 15643 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 2230a_100000739158_100000765856 [0,0,1,1,0,0|0,0,0]=2 15644 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 34a_100000106460_100000760354 [0,0,1,1,0,0|0,0,0]=2 15645 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 34a_100000739158_100000765856 [0,0,1,1,0,0|0,0,0]=2 15646 B17R2.2383 c1ccc(cc1)CCNCCC2OCCO2 2230a_100000034215_100000765856 [0,0,1,1,0,0|2,0,0]=4 15647 B17R2.2383 c1ccc(cc1)CCNCCC2OCCO2 2230a_100000106460_100000740749 [0,0,1,1,0,0|2,0,0]=4 15648 B17R2.2383 c1ccc(cc1)CCNCCC2OCCO2 34a_100000034215_100000765856 [0,0,1,1,0,0|2,0,0]=4 15649 B17R2.2383 c1ccc(cc1)CCNCCC2OCCO2 34a_100000106460_100000740749 [0,0,1,1,0,0|2,0,0]=4 15650 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 34a_100000210268_100000760354 [0,0,1,1,0,0|1,0,0]=3 15651 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 34a_100000749090_100000765856 [0,0,1,1,0,0|1,0,0]=3 15652 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 7a_100000210268_100000760354 [0,0,1,1,0,0|1,0,0]=3 15653 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 7a_100000749090_100000765856 [0,0,1,1,0,0|1,0,0]=3 15654 B17R2.2383 c1ccc(cc1)CCOCCC2CCNC2 34a_100016987287_100000765856 [0,0,1,1,0,0|2,0,0]=4 15655 B17R2.2383 c1ccc(cc1)CCOCCC2CCOC2 34a_100011879284_100000765856 [0,0,1,1,0,0|2,0,0]=4 15656 B17R2.2383 c1ccc(cc1)CCOCCN2CCCC2 7a_100000210268_100000004467 [0,0,1,1,0,0|2,0,0]=4 15657 B17R2.2383 c1ccc(cc1)CCSCCC2CCCC2 62a_100000760354_100011218657 [0,0,1,1,0,0|1,0,0]=3 15658 B17R2.2383 c1ccc(cc1)CCSCCC2CCCC2 62a_100000765856_100000760354 [0,0,1,1,0,0|1,0,0]=3 15659 B17R2.2383 c1ccc(cc1)CCSCCN2CCCC2 62a_100000700749_100011218657 [0,0,1,1,0,0|2,0,0]=4 15660 B17R2.2383 c1ccc(cc1)CCSCCN2CCCC2 62a_100000765856_100000004467 [0,0,1,1,0,0|2,0,0]=4 15661 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 207a_100000736752_100015611070 [0,0,1,1,0,0|2,0,0]=4 15662 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 2230a_100000736752_100015291786 [0,0,1,1,0,0|2,0,0]=4 15663 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 2230a_100015324214_100011713738 [0,0,1,1,0,0|2,0,0]=4 15664 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 270004a_100000736752_100015611070 [0,0,1,1,0,0|2,0,0]=4 15665 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 34a_100000736752_100015291786 [0,0,1,1,0,0|2,0,0]=4 15666 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 34a_100015324214_100011713738 [0,0,1,1,0,0|2,0,0]=4 15667 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 34a_100000210790_100011713738 [0,0,1,1,0,0|2,0,0]=4 15668 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 34a_100011215328_100015291786 [0,0,1,1,0,0|2,0,0]=4 15669 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 7a_100000210790_100011713738 [0,0,1,1,0,0|2,0,0]=4 15670 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 7a_100011215328_100000211182 [0,0,1,1,0,0|2,0,0]=4 15671 B17R2.2383 c1ccc(cc1)CSCCCC2CCCC2 62a_100000211182_100011713738 [0,0,1,1,0,0|2,0,0]=4 15672 B17R2.2383 c1ccc(cc1)CSCCCC2CCCC2 62a_100011713738_100015291786 [0,0,1,1,0,0|2,0,0]=4 15673 B17R2.2383 c1ccc(cc1)SCNCCC2CCCC2 2230a_100000739158_100011218342 [0,0,1,1,0,0|1,0,0]=3 15674 B17R2.2383 c1ccc(cc1)SCSCCC2CCCC2 62a_100000760354_100011218342 [0,0,1,1,0,0|2,0,0]=4 15675 B17R2.2383 c1ccc(cc1)SCSCCC2CCCC2 62a_100011218342_100000760354 [0,0,1,1,0,0|2,0,0]=4 15676 B17R2.2383 c1ccc(nc1)CCNCCC2CCCC2 2230a_100000739158_100015183660 [0,0,1,1,0,0|1,0,0]=3 15677 B17R2.2383 c1ccc(nc1)CCOCCC2CCCC2 34a_100000210271_100000760354 [0,0,1,1,0,0|2,0,0]=4 15678 B17R2.2383 c1ccc(nc1)CCOCCC2CCCC2 7a_100000749090_100015183660 [0,0,1,1,0,0|2,0,0]=4 15679 B17R2.2383 c1ccc(nc1)CCSCCC2CCCC2 62a_100000760354_100015183660 [0,0,1,1,0,0|2,0,0]=4 15680 B17R2.2383 c1ccc(nc1)CCSCCC2CCCC2 62a_100015183660_100000760354 [0,0,1,1,0,0|2,0,0]=4 15681 B17R2.2383 c1cncc(c1)CCNCCC2CCCC2 2230a_100000736294_100000760354 [0,0,1,1,0,0|1,0,0]=3 15682 B17R2.2383 c1cncc(c1)CCNCCC2CCCC2 2230a_100000739158_200011713674 [0,0,1,1,0,0|1,0,0]=3 15683 B17R2.2383 c1cncc(c1)CCOCCC2CCCC2 34a_100011217484_100000760354 [0,0,1,1,0,0|2,0,0]=4 15684 B17R2.2383 c1cncc(c1)CCOCCC2CCCC2 7a_100000749090_200011713674 [0,0,1,1,0,0|2,0,0]=4 15685 B17R2.2383 c1cncc(c1)CCSCCC2CCCC2 62a_100000760354_200011713674 [0,0,1,1,0,0|2,0,0]=4 15686 B17R2.2383 c1cncc(c1)CCSCCC2CCCC2 62a_200011713674_100000760354 [0,0,1,1,0,0|2,0,0]=4 15687 B17R2.3290 CCCCCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210314 [0,0,1,1,0,0|2,0,0]=4 15688 B17R2.3290 CCCCCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210757 [0,0,1,1,0,0|2,0,0]=4 15689 B17R2.3290 CCCCCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210314 [0,0,1,1,0,0|2,0,0]=4 15690 B17R2.3292 CCCCCCN1CCC1c2ccccc2 2230a_100000739605_100000210314 [0,0,1,1,0,0|2,0,0]=4 15691 B17R2.3292 CCCCCCN1CCC1c2ccccc2 269982a_100000739605_100000210757 [0,0,1,1,0,0|2,0,0]=4 15692 B17R2.3513 CC1CCCC1=NNCCc2ccccc2 4a_100000740470_100000752053 [0,0,1,1,0,0|1,0,1]=4 15693 B17R2.3513 CC1CCCC1NCCCc2ccccc2 269862a_100000211184_100000752053 [0,0,1,1,0,0|2,0,0]=4 15694 B17R2.3513 CC1CCCC1OCCCc2ccccc2 34a_100011216460_100000211621 [0,0,1,1,0,0|2,0,0]=4 15695 B17R2.3513 CC1CCCC1OCCCc2ccccc2 7a_100011216460_100000211621 [0,0,1,1,0,0|2,0,0]=4 15696 B17R2.3513 CN1CCCC1COCCc2ccccc2 34a_100000743107_100000765856 [0,0,1,1,0,0|2,0,0]=4 15697 B17R2.3513 C[C@@H]1CCCN1CCCCc2ccccc2 2230a_100015189458_100000701786 [0,0,1,1,0,0|2,0,0]=4 15698 B17R2.3513 C[C@@H]1CCCN1CCCCc2ccccc2 269982a_100015189458_100000701786 [0,0,1,1,0,0|2,0,0]=4 15699 B17R2.3513 C[C@@H]1CCCN1CCCCc2ccccc2 34a_100015189458_100000701786 [0,0,1,1,0,0|2,0,0]=4 15700 B17R2.3513 C[C@H]1CCCN1CCCCc2ccccc2 2230a_100020605311_100000701786 [0,0,1,1,0,0|2,0,0]=4 15701 B17R2.3513 C[C@H]1CCCN1CCCCc2ccccc2 269982a_100020605311_100000701786 [0,0,1,1,0,0|2,0,0]=4 15702 B17R2.3557 c1ccc(cc1)CN2CCCCCCCC2 2230a_100000039187_100015291786 [0,0,1,1,0,0|2,0,0]=4 15703 B17R2.3557 c1ccc(cc1)CN2CCCCCCCC2 269982a_100000039187_100000211182 [0,0,1,1,0,0|2,0,0]=4 15704 B17R2.3557 c1ccc(cc1)CN2CCCCCCCC2 270004a_100000039187_100015611070 [0,0,1,1,0,0|2,0,0]=4 15705 B17R2.3557 c1ccc(cc1)CN2CCCCCCCC2 34a_100000039187_100015291786 [0,0,1,1,0,0|2,0,0]=4 15706 B17R2.3854 CC1CC1COCCCCc2ccccc2 34a_100000744939_100000701786 [0,0,1,1,0,0|2,0,0]=4 15707 B17R2.3854 CC1CC1COCCCCc2ccccc2 7a_100000744939_100000701786 [0,0,1,1,0,0|2,0,0]=4 15708 B17R2.5329 CC1CCN1CCCCCc2ccccc2 269982a_100000755817_200011217138 [0,0,1,1,0,0|2,0,0]=4 15709 B17R2.5329 CC1CCN1CCCCCc2ccccc2 34a_100000755817_200011217138 [0,0,1,1,0,0|2,0,0]=4 15710 B17R2.5329 O=C1CCC1CCNCCc2ccccc2 2230a_100000106460_200016118888 [0,0,1,1,0,0|1,0,1]=4 15711 B17R2.7393 c1cc(ccn1)CCN2CCCCCCC2 2230a_100000211400_100000723409 [0,0,1,1,0,0|1,0,0]=3 15712 B17R2.7393 c1cc(ccn1)CCN2CCCCCCC2 269982a_100000211400_100000723409 [0,0,1,1,0,0|1,0,0]=3 15713 B17R2.7393 c1ccc(cc1)CCN2CCCCCCC2 2230a_100000211400_100000765856 [0,0,1,1,0,0|0,0,0]=2 15714 B17R2.7393 c1ccc(cc1)CCN2CCCCCCC2 269982a_100000211400_100000765856 [0,0,1,1,0,0|0,0,0]=2 15715 B17R2.7393 c1ccc(cc1)CCN2CCCCCCC2 34a_100000211400_100000765856 [0,0,1,1,0,0|0,0,0]=2 15716 B17R2.7393 c1ccc(cc1)CNC2CCCCCCC2 207a_100000211152_100015611070 [0,0,1,1,0,0|2,0,0]=4 15717 B17R2.7393 c1ccc(cc1)CNC2CCCCCCC2 2230a_100000211152_100015291786 [0,0,1,1,0,0|2,0,0]=4 15718 B17R2.7393 c1ccc(cc1)CNC2CCCCCCC2 270004a_100000211152_100015611070 [0,0,1,1,0,0|2,0,0]=4 15719 B17R2.7393 c1ccc(cc1)CNC2CCCCCCC2 270004a_100015324214_100000210524 [0,0,1,1,0,0|2,0,0]=4 15720 B17R2.7393 c1ccc(cc1)CNC2CCCCCCC2 34a_100000211152_100015291786 [0,0,1,1,0,0|2,0,0]=4 15721 B17R2.7393 c1ccc(cc1)COC2CCCCCCC2 34a_100000210054_100015291786 [0,0,1,1,0,0|2,0,0]=4 15722 B17R2.7393 c1ccc(cc1)COC2CCCCCCC2 7a_100000210054_100000211182 [0,0,1,1,0,0|2,0,0]=4 15723 B17R2.7393 c1ccc(cc1)SCN2CCCCCCC2 2230a_100000211400_100011218342 [0,0,1,1,0,0|1,0,0]=3 15724 B17R2.7393 c1ccc(cc1)SCN2CCCCCCC2 269982a_100000211400_100011218342 [0,0,1,1,0,0|1,0,0]=3 15725 B17R2.7393 c1ccc(nc1)CCN2CCCCCCC2 2230a_100000211400_100015183660 [0,0,1,1,0,0|1,0,0]=3 15726 B17R2.7393 c1ccc(nc1)CCN2CCCCCCC2 269982a_100000211400_100015183660 [0,0,1,1,0,0|1,0,0]=3 15727 B17R2.7393 c1cncc(c1)CCN2CCCCCCC2 2230a_100000211400_200011713674 [0,0,1,1,0,0|1,0,0]=3 15728 B17R2.7393 c1cncc(c1)CCN2CCCCCCC2 269982a_100000211400_200011713674 [0,0,1,1,0,0|1,0,0]=3 15729 B17R2.9156 c1ccc(cc1)CCCCCCNC2CC2 34a_100000212008_100011218729 [0,0,1,1,0,0|2,0,0]=4 15730 B17R2.9156 c1ccc(cc1)CCCCCCOC2CC2 34a_100011215581_100000211595 [0,0,1,1,0,0|2,0,0]=4 15731 B17R2.9156 c1ccc(cc1)CCCCCCSC2CC2 62a_100011218729_100000211595 [0,0,1,1,0,0|2,0,0]=4 15732 B17R2.9156 c1ccc(cc1)CCCCCNCC2CC2 2230a_100000735609_200011217138 [0,0,1,1,0,0|2,0,0]=4 15733 B17R2.9156 c1ccc(cc1)CCCCCNCC2CC2 2230a_100000750932_100000742324 [0,0,1,1,0,0|2,0,0]=4 15734 B17R2.9156 c1ccc(cc1)CCCCCNCC2CC2 269862a_100000750932_100000741477 [0,0,1,1,0,0|2,0,0]=4 15735 B17R2.9156 c1ccc(cc1)CCCCCNCC2CC2 34a_100000735609_200011217138 [0,0,1,1,0,0|2,0,0]=4 15736 B17R2.9156 c1ccc(cc1)CCCCCNCC2CC2 34a_100000750932_100000742324 [0,0,1,1,0,0|2,0,0]=4 15737 B17R2.9156 c1ccc(cc1)CCCCCOCC2CC2 34a_100000211283_200011217138 [0,0,1,1,0,0|2,0,0]=4 15738 B17R2.9156 c1ccc(cc1)CCCCCOCC2CC2 34a_200011219639_100000742324 [0,0,1,1,0,0|2,0,0]=4 15739 B17R2.9156 c1ccc(cc1)CCCCCOCC2CC2 7a_200011219639_100000742324 [0,0,1,1,0,0|2,0,0]=4 15740 B17R2.9156 c1ccc(cc1)CCCCCSCC2CC2 62a_100000756562_200011217138 [0,0,1,1,0,0|2,0,0]=4 15741 B17R2.9156 c1ccc(cc1)CCCCCSCC2CC2 62a_200011217138_100000742324 [0,0,1,1,0,0|2,0,0]=4 15742 B17R2.9156 c1ccc(cc1)CCCCNCCC2CC2 2230a_100015280158_100000694398 [0,0,1,1,0,0|2,0,0]=4 15743 B17R2.9156 c1ccc(cc1)CCCCNCCC2CC2 34a_100000764129_100000701786 [0,0,1,1,0,0|2,0,0]=4 15744 B17R2.9156 c1ccc(cc1)CCCCNCCC2CC2 34a_100015280158_100000694398 [0,0,1,1,0,0|2,0,0]=4 15745 B17R2.9156 c1ccc(cc1)CCCCOCCC2CC2 34a_100000703073_100000694398 [0,0,1,1,0,0|2,0,0]=4 15746 B17R2.9156 c1ccc(cc1)CCCCOCCC2CC2 34a_100000754188_100000701786 [0,0,1,1,0,0|2,0,0]=4 15747 B17R2.9156 c1ccc(cc1)CCCCOCCC2CC2 7a_100000703073_100000764125 [0,0,1,1,0,0|2,0,0]=4 15748 B17R2.9156 c1ccc(cc1)CCCCOCCC2CC2 7a_100000754188_100000701786 [0,0,1,1,0,0|2,0,0]=4 15749 B17R2.9156 c1ccc(cc1)CCCCSCCC2CC2 62a_100000701786_100000764125 [0,0,1,1,0,0|2,0,0]=4 15750 B17R2.9156 c1ccc(cc1)CCCCSCCC2CC2 62a_100000764125_100000701786 [0,0,1,1,0,0|2,0,0]=4 15751 B17R2.84721 c1ccc(cc1)CCCCCCN2CCC2 269982a_100000754969_100011218729 [0,0,1,1,0,0|2,0,0]=4 15752 B17R2.84721 c1ccc(cc1)CCCCCNC2CCC2 2230a_100000749019_200011217138 [0,0,1,1,0,0|2,0,0]=4 15753 B17R2.84721 c1ccc(cc1)CCCCCNC2CCC2 270004a_100000750932_100000241760 [0,0,1,1,0,0|2,0,0]=4 15754 B17R2.84721 c1ccc(cc1)CCCCCNC2CCC2 34a_100000749019_200011217138 [0,0,1,1,0,0|2,0,0]=4 15755 B17R2.84721 c1ccc(cc1)CCCCCNC2CCC2 34a_100000750932_100000749161 [0,0,1,1,0,0|2,0,0]=4 15756 B17R2.84721 c1ccc(cc1)CCCCCOC2CCC2 34a_100000748187_200011217138 [0,0,1,1,0,0|2,0,0]=4 15757 B17R2.84721 c1ccc(cc1)CCCCCOC2CCC2 34a_200011219639_100000749161 [0,0,1,1,0,0|2,0,0]=4 15758 B17R2.84721 c1ccc(cc1)CCCCCSC2CCC2 62a_200011217138_100000749161 [0,0,1,1,0,0|2,0,0]=4 15759 B17R2.84721 c1ccc(cc1)CCCCNCC2CCC2 2230a_100000738700_100000701786 [0,0,1,1,0,0|2,0,0]=4 15760 B17R2.84721 c1ccc(cc1)CCCCNCC2CCC2 2230a_100015280158_100000763275 [0,0,1,1,0,0|2,0,0]=4 15761 B17R2.84721 c1ccc(cc1)CCCCNCC2CCC2 269862a_100015280158_100000753134 [0,0,1,1,0,0|2,0,0]=4 15762 B17R2.84721 c1ccc(cc1)CCCCNCC2CCC2 34a_100000738700_100000701786 [0,0,1,1,0,0|2,0,0]=4 15763 B17R2.84721 c1ccc(cc1)CCCCNCC2CCC2 34a_100015280158_100000763275 [0,0,1,1,0,0|2,0,0]=4 15764 B17R2.84721 c1ccc(cc1)CCCCOCC2CCC2 34a_100000703073_100000763275 [0,0,1,1,0,0|2,0,0]=4 15765 B17R2.84721 c1ccc(cc1)CCCCOCC2CCC2 34a_100000760304_100000701786 [0,0,1,1,0,0|2,0,0]=4 15766 B17R2.84721 c1ccc(cc1)CCCCOCC2CCC2 7a_100000703073_100000763275 [0,0,1,1,0,0|2,0,0]=4 15767 B17R2.84721 c1ccc(cc1)CCCCSCC2CCC2 62a_100000701786_100000763275 [0,0,1,1,0,0|2,0,0]=4 15768 B17R2.84721 c1ccc(cc1)CCCCSCC2CCC2 62a_100000763275_100000701786 [0,0,1,1,0,0|2,0,0]=4 15769 B17R2.103703 CCCCNC1CCCCc2c1cccc2 269862a_100000102301_100000184060 [0,0,1,1,0,0|2,0,0]=4 15770 B17R2.148072 CCCCCNC1CCCc2c1cccc2 269862a_100000209983_100000210882 [0,0,1,1,0,0|2,0,0]=4 15771 B17R2.148072 CCCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000718602 [0,0,1,1,0,0|2,0,0]=4 15772 B17R2.148072 CCCCCOC1CCCc2c1cccc2 34a_100000183665_100000718602 [0,0,1,1,0,0|2,0,0]=4 15773 B17R2.148072 CCCCCOC1CCCc2c1cccc2 7a_100000183665_100000210326 [0,0,1,1,0,0|2,0,0]=4 15774 B17R2.148072 CCCCNCC1OCCc2c1cccc2 2230a_100000755408_100000210211 [0,0,1,1,0,0|2,0,0]=4 15775 B17R2.148072 CCCCNCC1OCCc2c1cccc2 34a_100000755408_100000210210 [0,0,1,1,0,0|2,0,0]=4 15776 B17R2.435890 BrCCCCCCOC1Cc2c1cccc2 7a_100011215345_100009813401 [0,0,1,1,0,0|2,0,0]=4 15777 B17R2.435890 CCCCCCCOC1Cc2c1cccc2 7a_100000210272_100009813401 [0,0,1,1,0,0|1,0,0]=3 15778 B17R2.435890 CCCCCCCSC1Cc2c1cccc2 62a_100000210614_100009813401 [0,0,1,1,0,0|1,0,0]=3 15779 B17R2.435890 CCCCCCCSC1Cc2c1cccc2 62a_100009813401_100000210316 [0,0,1,1,0,0|1,0,0]=3 15780 B17R2.435890 CCCCCCOCC1Cc2c1cccc2 34a_100012476685_100000210314 [0,0,1,1,0,0|2,0,0]=4 15781 B17R2.435890 CCCCCCOCC1Cc2c1cccc2 7a_100012476685_100000210314 [0,0,1,1,0,0|2,0,0]=4 15782 B17R2.435890 CCCCOCCOC1Cc2c1cccc2 7a_100000210238_100009813401 [0,0,1,1,0,0|2,0,0]=4 15783 B17R2.435890 CCCCOCCSC1Cc2c1cccc2 62a_100000743108_100009813401 [0,0,1,1,0,0|2,0,0]=4 15784 B17R2.435890 CCCCOCCSC1Cc2c1cccc2 62a_100009813401_100000743108 [0,0,1,1,0,0|2,0,0]=4 15785 B17R2.435890 CCCCSCCOC1Cc2c1cccc2 7a_200000230436_100009813401 [0,0,1,1,0,0|2,0,0]=4 15786 B17R2.435890 ClCCCCCCOC1Cc2c1cccc2 7a_100000766143_100009813401 [0,0,1,1,0,0|2,0,0]=4 15787 B17R2.435890 FCCCCCCOC1Cc2c1cccc2 7a_100000732779_100009813401 [0,0,1,1,0,0|2,0,0]=4 15788 B17R2.435890 FCCCCCCSC1Cc2c1cccc2 62a_100009813401_100015922095 [0,0,1,1,0,0|2,0,0]=4 15789 B17R2.435890 FCCCCCCSC1Cc2c1cccc2 62a_100015922095_100009813401 [0,0,1,1,0,0|2,0,0]=4 15790 B17R2.435890 OCCCCCCSC1Cc2c1cccc2 62a_100000766143_100009813401 [0,0,1,1,0,0|2,0,0]=4 15791 B17R2.435890 OCCCCCCSC1Cc2c1cccc2 62a_100009813401_100000766143 [0,0,1,1,0,0|2,0,0]=4 15792 B17R2.268 CCCCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210326 [0,0,1,1,0,0|2,0,0]=4 15793 B17R2.268 CCCCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000210215 [0,0,1,1,0,0|2,0,0]=4 15794 B17R2.268 CCCCCN1CCC(C1)c2ccccc2 34a_100000747531_100000718602 [0,0,1,1,0,0|2,0,0]=4 15795 B17R2.268 CCCCNC1CCC(C1)c2ccccc2 270004a_100000102301_100000750937 [0,0,1,1,0,0|2,0,0]=4 15796 B17R2.1600 CCC1CC1C(=O)NCCc2ccccc2 11a_100000106460_200011661523 [0,0,1,1,0,0|1,0,1]=4 15797 B17R2.1600 CCC1CC1C(=O)NCCc2ccccc2 1626a_100000106460_200011661523 [0,0,1,1,0,0|1,0,1]=4 15798 B17R2.1600 CCC1CC1C(=O)NCCc2ccccc2 240690a_100000106460_200011661523 [0,0,1,1,0,0|1,0,1]=4 15799 B17R2.1600 CCC1CC1C(=O)NCCc2ccccc2 527a_100000106460_200011661523 [0,0,1,1,0,0|1,0,1]=4 15800 B17R2.2024 CCCCCN1CCCc2ccccc2C1 2230a_100000059810_100000210326 [0,0,1,1,0,0|2,0,0]=4 15801 B17R2.2024 CCCCCN1CCCc2ccccc2C1 269982a_100000059810_100000210215 [0,0,1,1,0,0|2,0,0]=4 15802 B17R2.2024 CCCCCN1CCCc2ccccc2C1 34a_100000059810_100000718602 [0,0,1,1,0,0|2,0,0]=4 15803 B17R2.2343 CCCCCN(C)C1CCc2c1cccc2 2230a_100000223495_200000721974 [0,0,1,1,0,0|2,0,0]=4 15804 B17R2.2343 CCCCCN(C)C1CCc2c1cccc2 269982a_100000223495_200000721974 [0,0,1,1,0,0|2,0,0]=4 15805 B17R2.2523 CCC1CCC(C1)NCCc2ccccc2 270004a_100000106460_100011218773 [0,0,1,1,0,0|0,0,0]=2 15806 B17R2.2523 CCC1CCC(C1)NCCc2ccccn2 270004a_100000211156_100011218773 [0,0,1,1,0,0|1,0,0]=3 15807 B17R2.2523 CCC1CCC(C1)NCCc2cccnc2 270004a_100000736294_100011218773 [0,0,1,1,0,0|1,0,0]=3 15808 B17R2.2523 CCC1CCC(C1)NCCc2ccncc2 270004a_100000742849_100011218773 [0,0,1,1,0,0|1,0,0]=3 15809 B17R2.2523 CCC1CCC(C1)NCCc2cnccn2 270004a_100000723456_100011218773 [0,0,1,1,0,0|2,0,0]=4 15810 B17R2.2523 CCN1CCC(C1)NCCc2ccccc2 2230a_100015188829_100000765856 [0,0,1,1,0,0|1,0,0]=3 15811 B17R2.2523 CCN1CCC(C1)NCCc2ccccn2 2230a_100015188829_100015183660 [0,0,1,1,0,0|2,0,0]=4 15812 B17R2.2523 CCN1CCC(C1)NCCc2cccnc2 2230a_100015188829_200011713674 [0,0,1,1,0,0|2,0,0]=4 15813 B17R2.2523 CCN1CCC(C1)NCCc2ccncc2 2230a_100015188829_100000723409 [0,0,1,1,0,0|2,0,0]=4 15814 B17R2.2523 CCN1CCC(C1)NCSc2ccccc2 2230a_100015188829_100011218342 [0,0,1,1,0,0|2,0,0]=4 15815 B17R2.2523 CCN1CCC(C1)OCCc2ccccc2 7a_100000210268_200011861547 [0,0,1,1,0,0|2,0,0]=4 15816 B17R2.2523 CCN1CCC(C1)SCCc2ccccc2 62a_100000765856_200011861547 [0,0,1,1,0,0|2,0,0]=4 15817 B17R2.2523 N#CC1CCC(C1)NCCc2ccccc2 270004a_100000106460_100000717688 [0,0,1,1,0,0|1,0,1]=4 15818 B17R2.3539 C[C@]1(CCC[C@H]1N)OCCc2ccccc2 34a_100015977457_100000765856 [0,0,1,1,0,0|2,0,0]=4 15819 B17R2.3933 CC1CCCC(C1NCc2ccccc2)C 269862a_100015324214_100000211995 [0,0,1,1,0,0|2,0,0]=4 15820 B17R2.3933 CC1CCCC(C1OCc2ccccc2)C 34a_100011218088_100015291786 [0,0,1,1,0,0|2,0,0]=4 15821 B17R2.3933 CC1CCCC(C1OCc2ccccc2)C 7a_100011218088_100000211182 [0,0,1,1,0,0|2,0,0]=4 15822 B17R2.3933 CC1CCCC(N1CCc2ccccc2)C 2230a_100000210447_100000765856 [0,0,1,1,0,0|0,0,0]=2 15823 B17R2.3933 CC1CCCC(N1CCc2ccccc2)C 269982a_100000210447_100000765856 [0,0,1,1,0,0|0,0,0]=2 15824 B17R2.3933 CC1CCCC(N1CCc2ccccc2)C 34a_100000210447_100000765856 [0,0,1,1,0,0|0,0,0]=2 15825 B17R2.3933 CC1CCCC(N1CCc2ccccn2)C 2230a_100000210447_100015183660 [0,0,1,1,0,0|1,0,0]=3 15826 B17R2.3933 CC1CCCC(N1CCc2ccccn2)C 269982a_100000210447_100015183660 [0,0,1,1,0,0|1,0,0]=3 15827 B17R2.3933 CC1CCCC(N1CCc2cccnc2)C 2230a_100000210447_200011713674 [0,0,1,1,0,0|1,0,0]=3 15828 B17R2.3933 CC1CCCC(N1CCc2cccnc2)C 269982a_100000210447_200011713674 [0,0,1,1,0,0|1,0,0]=3 15829 B17R2.3933 CC1CCCC(N1CCc2ccncc2)C 2230a_100000210447_100000723409 [0,0,1,1,0,0|1,0,0]=3 15830 B17R2.3933 CC1CCCC(N1CCc2ccncc2)C 269982a_100000210447_100000723409 [0,0,1,1,0,0|1,0,0]=3 15831 B17R2.3933 CC1CCCC(N1CSc2ccccc2)C 2230a_100000210447_100011218342 [0,0,1,1,0,0|1,0,0]=3 15832 B17R2.3933 CC1CCCC(N1CSc2ccccc2)C 269982a_100000210447_100011218342 [0,0,1,1,0,0|1,0,0]=3 15833 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccc2)C 2230a_100103153222_100000765856 [0,0,1,1,0,0|1,0,0]=3 15834 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccc2)C 269982a_100103153222_100000765856 [0,0,1,1,0,0|1,0,0]=3 15835 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccc2)C 34a_100103153222_100000765856 [0,0,1,1,0,0|1,0,0]=3 15836 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccn2)C 2230a_100103153222_100015183660 [0,0,1,1,0,0|2,0,0]=4 15837 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccn2)C 269982a_100103153222_100015183660 [0,0,1,1,0,0|2,0,0]=4 15838 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2cccnc2)C 2230a_100103153222_200011713674 [0,0,1,1,0,0|2,0,0]=4 15839 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2cccnc2)C 269982a_100103153222_200011713674 [0,0,1,1,0,0|2,0,0]=4 15840 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccncc2)C 2230a_100103153222_100000723409 [0,0,1,1,0,0|2,0,0]=4 15841 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccncc2)C 269982a_100103153222_100000723409 [0,0,1,1,0,0|2,0,0]=4 15842 B17R2.3933 C[C@@H]1COC[C@@H](N1CSc2ccccc2)C 2230a_100103153222_100011218342 [0,0,1,1,0,0|2,0,0]=4 15843 B17R2.3933 C[C@@H]1COC[C@@H](N1CSc2ccccc2)C 269982a_100103153222_100011218342 [0,0,1,1,0,0|2,0,0]=4 15844 B17R2.4462 COCC1CC(C1)NCCc2ccccc2 2230a_100012180050_100000765856 [0,0,1,1,0,0|1,0,0]=3 15845 B17R2.4462 COCC1CC(C1)NCCc2ccccc2 270004a_100000106460_100010371266 [0,0,1,1,0,0|1,0,0]=3 15846 B17R2.4462 COCC1CC(C1)NCCc2ccccn2 2230a_100012180050_100015183660 [0,0,1,1,0,0|2,0,0]=4 15847 B17R2.4462 COCC1CC(C1)NCCc2ccccn2 270004a_100000211156_100010371266 [0,0,1,1,0,0|2,0,0]=4 15848 B17R2.4462 COCC1CC(C1)NCCc2cccnc2 2230a_100012180050_200011713674 [0,0,1,1,0,0|2,0,0]=4 15849 B17R2.4462 COCC1CC(C1)NCCc2cccnc2 270004a_100000736294_100010371266 [0,0,1,1,0,0|2,0,0]=4 15850 B17R2.4462 COCC1CC(C1)NCCc2ccncc2 2230a_100012180050_100000723409 [0,0,1,1,0,0|2,0,0]=4 15851 B17R2.4462 COCC1CC(C1)NCCc2ccncc2 270004a_100000742849_100010371266 [0,0,1,1,0,0|2,0,0]=4 15852 B17R2.4462 COCC1CC(C1)NCSc2ccccc2 2230a_100012180050_100011218342 [0,0,1,1,0,0|2,0,0]=4 15853 B17R2.4904 CC(CCCc1ccccc1)N2CCC2C 269982a_100000755817_200010759516 [0,0,1,1,0,0|2,0,0]=4 15854 B17R2.4904 CC(CCCc1ccccc1)N2CCC2C 34a_100000755817_200010759516 [0,0,1,1,0,0|2,0,0]=4 15855 B17R2.5714 CC(CCCc1ccccc1)N2CCCC2 2230a_100000188435_200010759516 [0,0,1,1,0,0|2,0,0]=4 15856 B17R2.5714 CC(CCCc1ccccc1)N2CCCC2 269982a_100000188435_200010759516 [0,0,1,1,0,0|2,0,0]=4 15857 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 2230a_100015185923_100000765856 [0,0,1,1,0,0|0,0,0]=2 15858 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 269862a_100000106460_100000749594 [0,0,1,1,0,0|0,0,0]=2 15859 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 270004a_100000106460_100000749594 [0,0,1,1,0,0|0,0,0]=2 15860 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 34a_100015185923_100000765856 [0,0,1,1,0,0|0,0,0]=2 15861 B17R2.5714 CC(NCCc1ccccc1)C2CCCO2 2230a_100025754208_100000765856 [0,0,1,1,0,0|1,0,0]=3 15862 B17R2.5714 CC(NCCc1ccccc1)C2CCCO2 34a_100025754208_100000765856 [0,0,1,1,0,0|1,0,0]=3 15863 B17R2.5714 CC(NCCc1ccccn1)C2CCCC2 2230a_100015185923_100015183660 [0,0,1,1,0,0|1,0,0]=3 15864 B17R2.5714 CC(NCCc1ccccn1)C2CCCC2 269862a_100000211156_100000749594 [0,0,1,1,0,0|1,0,0]=3 15865 B17R2.5714 CC(NCCc1ccccn1)C2CCCC2 270004a_100000211156_100000749594 [0,0,1,1,0,0|1,0,0]=3 15866 B17R2.5714 CC(NCCc1ccccn1)C2CCCO2 2230a_100025754208_100015183660 [0,0,1,1,0,0|2,0,0]=4 15867 B17R2.5714 CC(NCCc1cccnc1)C2CCCC2 2230a_100015185923_200011713674 [0,0,1,1,0,0|1,0,0]=3 15868 B17R2.5714 CC(NCCc1cccnc1)C2CCCC2 269862a_100000736294_100000749594 [0,0,1,1,0,0|1,0,0]=3 15869 B17R2.5714 CC(NCCc1cccnc1)C2CCCC2 270004a_100000736294_100000749594 [0,0,1,1,0,0|1,0,0]=3 15870 B17R2.5714 CC(NCCc1cccnc1)C2CCCO2 2230a_100025754208_200011713674 [0,0,1,1,0,0|2,0,0]=4 15871 B17R2.5714 CC(NCCc1ccncc1)C2CCCC2 2230a_100015185923_100000723409 [0,0,1,1,0,0|1,0,0]=3 15872 B17R2.5714 CC(NCCc1ccncc1)C2CCCC2 269862a_100000742849_100000749594 [0,0,1,1,0,0|1,0,0]=3 15873 B17R2.5714 CC(NCCc1ccncc1)C2CCCC2 270004a_100000742849_100000749594 [0,0,1,1,0,0|1,0,0]=3 15874 B17R2.5714 CC(NCCc1ccncc1)C2CCCO2 2230a_100025754208_100000723409 [0,0,1,1,0,0|2,0,0]=4 15875 B17R2.5714 CC(NCCc1cnccn1)C2CCCC2 269862a_100000723456_100000749594 [0,0,1,1,0,0|2,0,0]=4 15876 B17R2.5714 CC(NCCc1cnccn1)C2CCCC2 270004a_100000723456_100000749594 [0,0,1,1,0,0|2,0,0]=4 15877 B17R2.5714 CC(NCSc1ccccc1)C2CCCC2 2230a_100015185923_100011218342 [0,0,1,1,0,0|1,0,0]=3 15878 B17R2.5714 CC(NCSc1ccccc1)C2CCCO2 2230a_100025754208_100011218342 [0,0,1,1,0,0|2,0,0]=4 15879 B17R2.5714 CC(OCCc1ccccc1)C2CCCC2 34a_100011216366_100000765856 [0,0,1,1,0,0|1,0,0]=3 15880 B17R2.5714 CC(OCCc1ccccc1)C2CCCC2 7a_100011216366_100000765856 [0,0,1,1,0,0|1,0,0]=3 15881 B17R2.5714 CC(OCCc1ccccn1)C2CCCC2 7a_100011216366_100015183660 [0,0,1,1,0,0|2,0,0]=4 15882 B17R2.5714 CC(OCCc1cccnc1)C2CCCC2 7a_100011216366_200011713674 [0,0,1,1,0,0|2,0,0]=4 15883 B17R2.5714 CC(OCCc1ccncc1)C2CCCC2 7a_100011216366_100000723409 [0,0,1,1,0,0|2,0,0]=4 15884 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 2230a_100000207505_100000211621 [0,0,1,1,0,0|2,0,0]=4 15885 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 2230a_100000693637_100000179811 [0,0,1,1,0,0|2,0,0]=4 15886 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 269982a_100000207505_100000211621 [0,0,1,1,0,0|2,0,0]=4 15887 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 269982a_100000693637_100000179811 [0,0,1,1,0,0|2,0,0]=4 15888 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 270004a_100000693637_100000210133 [0,0,1,1,0,0|2,0,0]=4 15889 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 34a_100000207505_100000211621 [0,0,1,1,0,0|2,0,0]=4 15890 B17R2.5714 O=C(NCCc1ccccc1)C2CCCC2 11a_100000106460_100000210718 [0,0,1,1,0,0|1,0,1]=4 15891 B17R2.5714 O=C(NCCc1ccccc1)C2CCCC2 1626a_100000106460_100000210718 [0,0,1,1,0,0|1,0,1]=4 15892 B17R2.5714 O=C(NCCc1ccccc1)C2CCCC2 240690a_100000106460_100000210718 [0,0,1,1,0,0|1,0,1]=4 15893 B17R2.5714 O=C(NCCc1ccccc1)C2CCCC2 527a_100000106460_100000210718 [0,0,1,1,0,0|1,0,1]=4 15894 B17R2.74164 CCCCOC1(CCCc2c1cccc2)C 34a_200011345745_100000210210 [0,0,1,1,0,0|2,0,0]=4 15895 B17R2.74164 CCCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000210211 [0,0,1,1,0,0|2,0,0]=4 15896 B17R2.75994 CCCCCC(C)OC1Cc2c1cccc2 7a_100011215632_100009813401 [0,0,1,1,0,0|1,0,0]=3 15897 B17R2.75994 CCCCCC(C)SC1Cc2c1cccc2 62a_100009813401_200011218191 [0,0,1,1,0,0|1,0,0]=3 15898 B17R2.75994 CCCCCC(C)SC1Cc2c1cccc2 62a_200011218191_100009813401 [0,0,1,1,0,0|1,0,0]=3 15899 B17R2.75994 COCCCC(C)OC1Cc2c1cccc2 7a_200011539412_100009813401 [0,0,1,1,0,0|2,0,0]=4 15900 B17R2.294960 CC(CCCc1ccccc1)NC2CCC2 2230a_100000749019_200010759516 [0,0,1,1,0,0|2,0,0]=4 15901 B17R2.294960 CC(CCCc1ccccc1)NC2CCC2 34a_100000749019_200010759516 [0,0,1,1,0,0|2,0,0]=4 15902 B17R2.294960 CC(CCCc1ccccc1)OC2CCC2 34a_100000748187_200010759516 [0,0,1,1,0,0|2,0,0]=4 15903 B17R2.294960 CC(CCCc1ccccc1)SC2CCC2 62a_200010759516_100000749161 [0,0,1,1,0,0|2,0,0]=4 15904 B17R2.294960 CN(CCCc1ccccc1)CC2CCC2 2230a_100000693637_100000763275 [0,0,1,1,0,0|2,0,0]=4 15905 B17R2.294960 CN(CCCc1ccccc1)CC2CCC2 2230a_200000750244_100000211621 [0,0,1,1,0,0|2,0,0]=4 15906 B17R2.294960 CN(CCCc1ccccc1)CC2CCC2 269982a_100000693637_100000763275 [0,0,1,1,0,0|2,0,0]=4 15907 B17R2.294960 CN(CCCc1ccccc1)CC2CCC2 269982a_200000750244_100000211621 [0,0,1,1,0,0|2,0,0]=4 15908 B17R2.294960 CN(CCCc1ccccc1)CC2CCC2 34a_200000750244_100000211621 [0,0,1,1,0,0|2,0,0]=4 15909 B17R2.294960 O=C(CC1CCC1)NCCc2ccccc2 11a_100000106460_100000763092 [0,0,1,1,0,0|1,0,1]=4 15910 B17R2.294960 O=C(CC1CCC1)NCCc2ccccc2 1626a_100000106460_100000763092 [0,0,1,1,0,0|1,0,1]=4 15911 B17R2.294960 O=C(CC1CCC1)NCCc2ccccc2 240690a_100000106460_100000763092 [0,0,1,1,0,0|1,0,1]=4 15912 B17R2.294960 O=C(CC1CCC1)NCCc2ccccc2 527a_100000106460_100000763092 [0,0,1,1,0,0|1,0,1]=4 15913 B17R2.294966 CC(CCCc1ccccc1)NCC2CC2 2230a_100000735609_200010759516 [0,0,1,1,0,0|2,0,0]=4 15914 B17R2.294966 CC(CCCc1ccccc1)NCC2CC2 34a_100000735609_200010759516 [0,0,1,1,0,0|2,0,0]=4 15915 B17R2.294966 CC(CCCc1ccccc1)OCC2CC2 34a_100000211283_200010759516 [0,0,1,1,0,0|2,0,0]=4 15916 B17R2.294966 CC(CCCc1ccccc1)SCC2CC2 62a_100000756562_200010759516 [0,0,1,1,0,0|2,0,0]=4 15917 B17R2.294966 CC(CCCc1ccccc1)SCC2CC2 62a_200010759516_100000742324 [0,0,1,1,0,0|2,0,0]=4 15918 B17R2.294966 CN(CCCc1ccccc1)CCC2CC2 2230a_100000693637_100000694398 [0,0,1,1,0,0|2,0,0]=4 15919 B17R2.294966 CN(CCCc1ccccc1)CCC2CC2 269982a_100000693637_100000694398 [0,0,1,1,0,0|2,0,0]=4 15920 B17R2.294966 O=C(CCC1CC1)NCCc2ccccc2 11a_100000106460_100000756386 [0,0,1,1,0,0|1,0,1]=4 15921 B17R2.294966 O=C(CCC1CC1)NCCc2ccccc2 1626a_100000106460_100000756386 [0,0,1,1,0,0|1,0,1]=4 15922 B17R2.294966 O=C(CCC1CC1)NCCc2ccccc2 240690a_100000106460_100000756386 [0,0,1,1,0,0|1,0,1]=4 15923 B17R2.294966 O=C(CCC1CC1)NCCc2ccccc2 527a_100000106460_100000756386 [0,0,1,1,0,0|1,0,1]=4 15924 B17R2.30 CCCCN1CCC(CC1)c2ccccc2 2230a_100000736203_100000210211 [0,0,1,1,0,0|2,0,0]=4 15925 B17R2.30 CCCCN1CCC(CC1)c2ccccc2 269982a_100000736203_100000210211 [0,0,1,1,0,0|2,0,0]=4 15926 B17R2.30 CCCCN1CCC(CC1)c2ccccc2 34a_100000736203_100000210210 [0,0,1,1,0,0|2,0,0]=4 15927 B17R2.30 CCCNC1CCC(CC1)c2ccccc2 270004a_100020643023_100000184041 [0,0,1,1,0,0|2,0,0]=4 15928 B17R2.30 CCCNC1CCC(CC1)c2ccccc2 34a_100000737527_100000210303 [0,0,1,1,0,0|2,0,0]=4 15929 B17R2.30 CCCO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_100000210303 [0,0,1,1,0,0|2,0,0]=4 15930 B17R2.30 CCCO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_100000210303 [0,0,1,1,0,0|2,0,0]=4 15931 B17R2.30 CCOCC1CCC(CC1)c2ccccc2 34a_200000186167_100000210202 [0,0,1,1,0,0|2,0,0]=4 15932 B17R2.30 CCOCC1CCC(CC1)c2ccccc2 7a_200000186167_100000210202 [0,0,1,1,0,0|2,0,0]=4 15933 B17R2.1963 CCC1CCC(N(C1)Cc2ccccc2)C 2230a_100011219223_100015291786 [0,0,1,1,0,0|2,0,0]=4 15934 B17R2.1963 CCC1CCC(N(C1)Cc2ccccc2)C 269982a_100011219223_100000211182 [0,0,1,1,0,0|2,0,0]=4 15935 B17R2.1963 CCC1CCC(N(C1)Cc2ccccc2)C 270004a_100011219223_100015611070 [0,0,1,1,0,0|2,0,0]=4 15936 B17R2.1963 CCC1CCC(N(C1)Cc2ccccc2)C 34a_100011219223_100015291786 [0,0,1,1,0,0|2,0,0]=4 15937 B17R2.2469 CCCCN(CC)C1CCc2c1cccc2 2230a_100000207695_200000721974 [0,0,1,1,0,0|2,0,0]=4 15938 B17R2.2469 CCCCN(CC)C1CCc2c1cccc2 269982a_100000207695_200000721974 [0,0,1,1,0,0|2,0,0]=4 15939 B17R2.60176 COCCC1(CC1)NCCc2ccccc2 2230a_100020603293_100000765856 [0,0,1,1,0,0|1,0,0]=3 15940 B17R2.60176 COCCC1(CC1)NCCc2ccccc2 34a_100020603293_100000765856 [0,0,1,1,0,0|1,0,0]=3 15941 B17R2.60176 COCCC1(CC1)NCCc2ccccn2 2230a_100020603293_100015183660 [0,0,1,1,0,0|2,0,0]=4 15942 B17R2.60176 COCCC1(CC1)NCCc2cccnc2 2230a_100020603293_200011713674 [0,0,1,1,0,0|2,0,0]=4 15943 B17R2.60176 COCCC1(CC1)NCCc2ccncc2 2230a_100020603293_100000723409 [0,0,1,1,0,0|2,0,0]=4 15944 B17R2.60176 COCCC1(CC1)NCSc2ccccc2 2230a_100020603293_100011218342 [0,0,1,1,0,0|2,0,0]=4 15945 B17R2.81378 CCC1(CCCC1)NCCc2ccccc2 2230a_100015183760_100000765856 [0,0,1,1,0,0|0,0,0]=2 15946 B17R2.81378 CCC1(CCCC1)NCCc2ccccn2 2230a_100015183760_100015183660 [0,0,1,1,0,0|1,0,0]=3 15947 B17R2.81378 CCC1(CCCC1)NCCc2cccnc2 2230a_100015183760_200011713674 [0,0,1,1,0,0|1,0,0]=3 15948 B17R2.81378 CCC1(CCCC1)NCCc2ccncc2 2230a_100015183760_100000723409 [0,0,1,1,0,0|1,0,0]=3 15949 B17R2.81378 CCC1(CCCC1)NCSc2ccccc2 2230a_100015183760_100011218342 [0,0,1,1,0,0|1,0,0]=3 15950 B17R2.81378 CCC1(CCCC1)OCCc2ccccc2 7a_100000752416_100000765856 [0,0,1,1,0,0|1,0,0]=3 15951 B17R2.81378 CCC1(CCCC1)OCCc2ccccn2 7a_100000752416_100015183660 [0,0,1,1,0,0|2,0,0]=4 15952 B17R2.81378 CCC1(CCCC1)OCCc2cccnc2 7a_100000752416_200011713674 [0,0,1,1,0,0|2,0,0]=4 15953 B17R2.81378 CCC1(CCCC1)OCCc2ccncc2 7a_100000752416_100000723409 [0,0,1,1,0,0|2,0,0]=4 15954 B17R2.81378 N#CC1(CCCC1)NCCc2ccccc2 34a_100000738132_100000765856 [0,0,1,1,0,0|1,0,1]=4 15955 B17R2.81378 NCC1(CCCC1)OCCc2ccccc2 34a_100000737848_100000765856 [0,0,1,1,0,0|2,0,0]=4 15956 B17R2.81378 OCC1(CCCC1)NCCc2ccccc2 2230a_100000749328_100000765856 [0,0,1,1,0,0|1,0,0]=3 15957 B17R2.81378 OCC1(CCCC1)NCCc2ccccc2 34a_100000749328_100000765856 [0,0,1,1,0,0|1,0,0]=3 15958 B17R2.81378 OCC1(CCCC1)NCCc2ccccn2 2230a_100000749328_100015183660 [0,0,1,1,0,0|2,0,0]=4 15959 B17R2.81378 OCC1(CCCC1)NCCc2cccnc2 2230a_100000749328_200011713674 [0,0,1,1,0,0|2,0,0]=4 15960 B17R2.81378 OCC1(CCCC1)NCCc2ccncc2 2230a_100000749328_100000723409 [0,0,1,1,0,0|2,0,0]=4 15961 B17R2.81378 OCC1(CCCC1)NCSc2ccccc2 2230a_100000749328_100011218342 [0,0,1,1,0,0|2,0,0]=4 15962 B17R2.452085 CCN(CCCc1ccccc1)C2CCC2 2230a_100000758130_100000211621 [0,0,1,1,0,0|2,0,0]=4 15963 B17R2.452085 CCN(CCCc1ccccc1)C2CCC2 269982a_100000758130_100000211621 [0,0,1,1,0,0|2,0,0]=4 15964 B17R2.452085 OC[C@@H](NCCc1ccccc1)C2COC2 2230a_217856628679_100000765856 [0,0,1,1,0,0|2,0,0]=4 15965 B17R2.452085 OC[C@@H](NCCc1ccccc1)C2COC2 34a_217856628679_100000765856 [0,0,1,1,0,0|2,0,0]=4 15966 B17R2.983769 CCCCC(CC)OC1Cc2c1cccc2 7a_100011215227_100009813401 [0,0,1,1,0,0|1,0,0]=3 15967 B17R2.983769 CCCCC(CC)SC1Cc2c1cccc2 62a_100009813401_200011216223 [0,0,1,1,0,0|1,0,0]=3 15968 B17R2.983769 CCCCC(CC)SC1Cc2c1cccc2 62a_200011216223_100009813401 [0,0,1,1,0,0|1,0,0]=3 15969 B17R2.154 CCCN1CCCC(C1)Cc2ccccc2 2230a_100000752525_100000210303 [0,0,1,1,0,0|2,0,0]=4 15970 B17R2.154 CCCN1CCCC(C1)Cc2ccccc2 269982a_100000752525_100000210303 [0,0,1,1,0,0|2,0,0]=4 15971 B17R2.154 CCCN1CCCC(C1)Cc2ccccc2 34a_100000752525_100000210303 [0,0,1,1,0,0|2,0,0]=4 15972 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 2230a_100000210455_200000721974 [0,0,1,1,0,0|2,0,0]=4 15973 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 2230a_100000737437_100000210303 [0,0,1,1,0,0|2,0,0]=4 15974 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 269982a_100000210455_200000721974 [0,0,1,1,0,0|2,0,0]=4 15975 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 269982a_100000737437_100000210303 [0,0,1,1,0,0|2,0,0]=4 15976 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 34a_100000737437_100000210303 [0,0,1,1,0,0|2,0,0]=4 15977 B17R2.4697 CCCN1CCCC(CC1)c2ccccc2 2230a_100015185863_100000210303 [0,0,1,1,0,0|2,0,0]=4 15978 B17R2.4697 CCCN1CCCC(CC1)c2ccccc2 269982a_100015185863_100000210303 [0,0,1,1,0,0|2,0,0]=4 15979 B17R2.4697 CCCN1CCCC(CC1)c2ccccc2 34a_100015185863_100000210303 [0,0,1,1,0,0|2,0,0]=4 15980 B17R2.47256 CCCC1(CCC1)CNCc2ccccc2 207a_100000687467_100015611070 [0,0,1,1,0,0|2,0,0]=4 15981 B17R2.47256 CCCC1(CCC1)CNCc2ccccc2 2230a_100000687467_100015291786 [0,0,1,1,0,0|2,0,0]=4 15982 B17R2.47256 CCCC1(CCC1)CNCc2ccccc2 270004a_100000687467_100015611070 [0,0,1,1,0,0|2,0,0]=4 15983 B17R2.48003 CCCN(CCCc1ccccc1)C2CC2 2230a_100000765834_100000211621 [0,0,1,1,0,0|2,0,0]=4 15984 B17R2.48003 CCCN(CCCc1ccccc1)C2CC2 269982a_100000765834_100000211621 [0,0,1,1,0,0|2,0,0]=4 15985 B17R2.1021881 CCCC(CCC)OC1Cc2c1cccc2 7a_200011218534_100009813401 [0,0,1,1,0,0|1,0,0]=3 15986 B17R2.1021881 CCCC(CCC)SC1Cc2c1cccc2 62a_100009813401_200011218217 [0,0,1,1,0,0|1,0,0]=3 15987 B17R2.1021881 CCCC(CCC)SC1Cc2c1cccc2 62a_200011218217_100009813401 [0,0,1,1,0,0|1,0,0]=3 15988 B17R2.11633 C=Cc1cccc(c1)NC2CCCCCC2 34a_100011827668_100011217769 [0,0,1,1,0,0|0,0,2]=4 15989 B17R2.7395 C(=Cc1ccco1)CNC2CCCCCC2 270004a_100000210984_100000185671 [0,0,1,1,0,0|1,0,1]=4 15990 B17R2.7395 c1ccn(c1)CCCNC2CCCCCC2 2230a_100000210984_200009814367 [0,0,1,1,0,0|1,0,1]=4 15991 B17R2.7395 c1ccn(c1)CCCNC2CCCCCC2 34a_100000210984_200009814367 [0,0,1,1,0,0|1,0,1]=4 15992 B17R2.7395 c1csc(c1)CCCNC2CCCCCC2 2230a_100000210984_100010992444 [0,0,1,1,0,0|1,0,1]=4 15993 B17R2.7395 c1csc(c1)CCCNC2CCCCCC2 34a_100000210984_100010992444 [0,0,1,1,0,0|1,0,1]=4 15994 B17R2.68587 C=Cc1ccccc1NC2CCCCCC2 34a_100012022501_100011217769 [0,0,1,1,0,0|0,0,2]=4 15995 B17R3.1937 c1cc(ccn1)CCNC2CC3CC3C2 270004a_100000742849_100010340937 [0,0,0,1,1,0|1,0,0]=3 15996 B17R3.1937 c1ccc(cc1)CCCN2CC3CC3C2 2230a_100000741873_100000211621 [0,0,0,1,1,0|2,0,0]=4 15997 B17R3.1937 c1ccc(cc1)CCCN2CC3CC3C2 269982a_100000741873_100000211621 [0,0,0,1,1,0|2,0,0]=4 15998 B17R3.1937 c1ccc(cc1)CCCN2CC3CC3C2 34a_100000741873_100000211621 [0,0,0,1,1,0|2,0,0]=4 15999 B17R3.1937 c1ccc(cc1)CCNC2CC3CC3C2 270004a_100000106460_100010340937 [0,0,0,1,1,0|0,0,0]=2 16000 B17R3.1937 c1ccc(nc1)CCNC2CC3CC3C2 270004a_100000211156_100010340937 [0,0,0,1,1,0|1,0,0]=3 16001 B17R3.1937 c1cnc(cn1)CCNC2CC3CC3C2 270004a_100000723456_100010340937 [0,0,0,1,1,0|2,0,0]=4 16002 B17R3.1937 c1cncc(c1)CCNC2CC3CC3C2 270004a_100000736294_100010340937 [0,0,0,1,1,0|1,0,0]=3 16003 B17R3.1938 c1cc(ccn1)CCNC2C3C2COC3 2230a_100000702821_100000723409 [0,0,0,1,1,0|2,0,0]=4 16004 B17R3.1938 c1ccc(cc1)CCNC2C3C2COC3 2230a_100000702821_100000765856 [0,0,0,1,1,0|1,0,0]=3 16005 B17R3.1938 c1ccc(cc1)CCNC2C3C2COC3 34a_100000702821_100000765856 [0,0,0,1,1,0|1,0,0]=3 16006 B17R3.1938 c1ccc(cc1)SCNC2C3C2COC3 2230a_100000702821_100011218342 [0,0,0,1,1,0|2,0,0]=4 16007 B17R3.1938 c1ccc(nc1)CCNC2C3C2COC3 2230a_100000702821_100015183660 [0,0,0,1,1,0|2,0,0]=4 16008 B17R3.1938 c1cncc(c1)CCNC2C3C2COC3 2230a_100000702821_200011713674 [0,0,0,1,1,0|2,0,0]=4 16009 B17R3.1939 c1ccc2c(c1)CC2OC3CCCCC3 7a_100000210231_100009813401 [0,0,0,1,1,0|1,0,0]=3 16010 B17R3.1939 c1ccc2c(c1)CC2OC3CCCSC3 7a_100015962668_100009813401 [0,0,0,1,1,0|2,0,0]=4 16011 B17R3.1939 c1ccc2c(c1)CC2OC3CCSCC3 7a_100000731022_100009813401 [0,0,0,1,1,0|2,0,0]=4 16012 B17R3.1939 c1ccc2c(c1)CC2SC3CCCCC3 62a_100000210327_100009813401 [0,0,0,1,1,0|1,0,0]=3 16013 B17R3.1939 c1ccc2c(c1)CC2SC3CCCCC3 62a_100009813401_100000210327 [0,0,0,1,1,0|1,0,0]=3 16014 B17R3.1939 c1ccc2c(c1)CC2SC3CCCOC3 62a_100009813401_100000693364 [0,0,0,1,1,0|2,0,0]=4 16015 B17R3.1939 c1ccc2c(c1)CC2SC3CCOCC3 62a_100009813401_100011324220 [0,0,0,1,1,0|2,0,0]=4 16016 B17R3.1939 c1ccc2c(c1)CC2SC3CCSCC3 62a_100009813401_100000069128 [0,0,0,1,1,0|2,0,0]=4 16017 B17R3.8720 c1cc(ccn1)CCN2C3CCC2CC3 2230a_100000735658_100000723409 [0,0,0,1,1,0|1,0,0]=3 16018 B17R3.8720 c1cc(ccn1)CCN2C3CCC2CC3 269982a_100000735658_100000723409 [0,0,0,1,1,0|1,0,0]=3 16019 B17R3.8720 c1ccc(cc1)CCN2C3CCC2CC3 2230a_100000735658_100000765856 [0,0,0,1,1,0|0,0,0]=2 16020 B17R3.8720 c1ccc(cc1)CCN2C3CCC2CC3 269982a_100000735658_100000765856 [0,0,0,1,1,0|0,0,0]=2 16021 B17R3.8720 c1ccc(cc1)CCN2C3CCC2CC3 34a_100000735658_100000765856 [0,0,0,1,1,0|0,0,0]=2 16022 B17R3.8720 c1ccc(cc1)CNC2C3CCC2CC3 34a_100015324214_100009813300 [0,0,0,1,1,0|2,0,0]=4 16023 B17R3.8720 c1ccc(cc1)COC2C3CCC2CC3 34a_100000210790_100009813300 [0,0,0,1,1,0|2,0,0]=4 16024 B17R3.8720 c1ccc(cc1)CSC2C3CCC2CC3 62a_100000211182_100009813300 [0,0,0,1,1,0|2,0,0]=4 16025 B17R3.8720 c1ccc(cc1)CSC2C3CCC2CC3 62a_100009813300_100015291786 [0,0,0,1,1,0|2,0,0]=4 16026 B17R3.8720 c1ccc(cc1)SCN2C3CCC2CC3 2230a_100000735658_100011218342 [0,0,0,1,1,0|1,0,0]=3 16027 B17R3.8720 c1ccc(cc1)SCN2C3CCC2CC3 269982a_100000735658_100011218342 [0,0,0,1,1,0|1,0,0]=3 16028 B17R3.8720 c1ccc(nc1)CCN2C3CCC2CC3 2230a_100000735658_100015183660 [0,0,0,1,1,0|1,0,0]=3 16029 B17R3.8720 c1ccc(nc1)CCN2C3CCC2CC3 269982a_100000735658_100015183660 [0,0,0,1,1,0|1,0,0]=3 16030 B17R3.8720 c1cncc(c1)CCN2C3CCC2CC3 2230a_100000735658_200011713674 [0,0,0,1,1,0|1,0,0]=3 16031 B17R3.8720 c1cncc(c1)CCN2C3CCC2CC3 269982a_100000735658_200011713674 [0,0,0,1,1,0|1,0,0]=3 16032 B17R3.8750 c1cc(ccn1)CCNC2CCC3C2C3 269862a_100000742849_100000692480 [0,0,0,1,1,0|1,0,0]=3 16033 B17R3.8750 c1cc(ccn1)CCNC2CCC3C2C3 270004a_100000742849_100000692480 [0,0,0,1,1,0|1,0,0]=3 16034 B17R3.8750 c1ccc(cc1)CCNC2CCC3C2C3 269862a_100000106460_100000692480 [0,0,0,1,1,0|0,0,0]=2 16035 B17R3.8750 c1ccc(cc1)CCNC2CCC3C2C3 270004a_100000106460_100000692480 [0,0,0,1,1,0|0,0,0]=2 16036 B17R3.8750 c1ccc(cc1)CCOC2CCC3C2C3 34a_200012295571_100000765856 [0,0,0,1,1,0|1,0,0]=3 16037 B17R3.8750 c1ccc(nc1)CCNC2CCC3C2C3 269862a_100000211156_100000692480 [0,0,0,1,1,0|1,0,0]=3 16038 B17R3.8750 c1ccc(nc1)CCNC2CCC3C2C3 270004a_100000211156_100000692480 [0,0,0,1,1,0|1,0,0]=3 16039 B17R3.8750 c1cnc(cn1)CCNC2CCC3C2C3 269862a_100000723456_100000692480 [0,0,0,1,1,0|2,0,0]=4 16040 B17R3.8750 c1cnc(cn1)CCNC2CCC3C2C3 270004a_100000723456_100000692480 [0,0,0,1,1,0|2,0,0]=4 16041 B17R3.8750 c1cncc(c1)CCNC2CCC3C2C3 269862a_100000736294_100000692480 [0,0,0,1,1,0|1,0,0]=3 16042 B17R3.8750 c1cncc(c1)CCNC2CCC3C2C3 270004a_100000736294_100000692480 [0,0,0,1,1,0|1,0,0]=3 16043 B17R3.8766 c1ccc(cc1)CN2CC3CCC2CC3 2230a_100000750499_100015291786 [0,0,0,1,1,0|2,0,0]=4 16044 B17R3.8766 c1ccc(cc1)CN2CC3CCC2CC3 269982a_100000750499_100000211182 [0,0,0,1,1,0|2,0,0]=4 16045 B17R3.8766 c1ccc(cc1)CN2CC3CCC2CC3 270004a_100000750499_100015611070 [0,0,0,1,1,0|2,0,0]=4 16046 B17R3.8766 c1ccc(cc1)CN2CC3CCC2CC3 34a_100000750499_100015291786 [0,0,0,1,1,0|2,0,0]=4 16047 B17R3.7239 c1ccc2c(c1)CC2N3CCCCCC3 269982a_100000185865_100009813401 [0,0,0,1,1,0|1,0,0]=3 16048 B17R3.7239 c1ccc2c(c1)CC2N3CCCOCC3 269982a_100000685342_100009813401 [0,0,0,1,1,0|2,0,0]=4 16049 B17R3.8717 c1cc(ccn1)CNC2CCCC3C2C3 269862a_100000210450_100000697651 [0,0,0,1,1,0|1,0,0]=3 16050 B17R3.8717 c1ccc(cc1)CNC2CCCC3C2C3 269862a_100015324214_100000697651 [0,0,0,1,1,0|0,0,0]=2 16051 B17R3.8717 c1cncc(c1)CNC2CCCC3C2C3 269862a_100000210453_100000697651 [0,0,0,1,1,0|1,0,0]=3 16052 B17R3.8717 c1cnnc(c1)CNC2CCCC3C2C3 269862a_100159270163_100000697651 [0,0,0,1,1,0|2,0,0]=4 16053 B17R3.8717 c1ncc(cn1)CNC2CCCC3C2C3 269862a_100011243677_100000697651 [0,0,0,1,1,0|2,0,0]=4 16054 B17R3.8762 c1cc(ccn1)CN2C3CCC2COC3 2230a_100015205251_100015193705 [0,0,0,1,1,0|2,0,0]=4 16055 B17R3.8762 c1cc(ccn1)CN2C3CCC2COC3 269982a_100015205251_100015193705 [0,0,0,1,1,0|2,0,0]=4 16056 B17R3.8762 c1ccc(cc1)CN2C3CCC2COC3 2230a_100015205251_100015291786 [0,0,0,1,1,0|1,0,0]=3 16057 B17R3.8762 c1ccc(cc1)CN2C3CCC2COC3 269982a_100015205251_100000211182 [0,0,0,1,1,0|1,0,0]=3 16058 B17R3.8762 c1ccc(cc1)CN2C3CCC2COC3 270004a_100015205251_100015611070 [0,0,0,1,1,0|1,0,0]=3 16059 B17R3.8762 c1ccc(cc1)CN2C3CCC2COC3 34a_100015205251_100015291786 [0,0,0,1,1,0|1,0,0]=3 16060 B17R3.8762 c1ccc(nc1)CN2C3CCC2COC3 2230a_100015205251_100000721315 [0,0,0,1,1,0|2,0,0]=4 16061 B17R3.8762 c1ccc(nc1)CN2C3CCC2COC3 269982a_100015205251_100000721315 [0,0,0,1,1,0|2,0,0]=4 16062 B17R3.8762 c1ccc(nc1)CN2C3CCC2COC3 270004a_100015205251_100000209966 [0,0,0,1,1,0|2,0,0]=4 16063 B17R3.8762 c1ccc(nc1)CN2C3CCC2COC3 34a_100015205251_100000721315 [0,0,0,1,1,0|2,0,0]=4 16064 B17R3.8762 c1cncc(c1)CN2C3CCC2COC3 2230a_100015205251_100000741622 [0,0,0,1,1,0|2,0,0]=4 16065 B17R3.8762 c1cncc(c1)CN2C3CCC2COC3 269982a_100015205251_100000733263 [0,0,0,1,1,0|2,0,0]=4 16066 B17R3.8762 c1cncc(c1)CN2C3CCC2COC3 270004a_100015205251_100000209961 [0,0,0,1,1,0|2,0,0]=4 16067 B17R3.8762 c1cncc(c1)CN2C3CCC2COC3 34a_100015205251_100000733263 [0,0,0,1,1,0|2,0,0]=4 16068 B17R3.8655 c1ccn(c1)CCN2C3CCC2COC3 2230a_100015205251_200009811947 [0,0,0,1,1,0|2,0,0]=4 16069 B17R3.8655 c1ccn(c1)CCN2C3CCC2COC3 269982a_100015205251_200000035178 [0,0,0,1,1,0|2,0,0]=4 16070 B17R3.8655 c1csc(c1)CCN2C3CCC2COC3 2230a_100015205251_100000748579 [0,0,0,1,1,0|2,0,0]=4 16071 B17R3.8655 c1csc(c1)CCN2C3CCC2COC3 269982a_100015205251_100000748579 [0,0,0,1,1,0|2,0,0]=4 16072 B17R3.8655 c1csc(c1)CCN2C3CCC2COC3 34a_100015205251_100000748579 [0,0,0,1,1,0|2,0,0]=4 16073 B17R3.8668 c1cc(cs1)CCNC2CCCC3C2C3 269862a_100000692642_100000697651 [0,0,0,1,1,0|1,0,0]=3 16074 B17R3.8668 c1ccn(c1)CCNC2CCCC3C2C3 269862a_100011368172_100000697651 [0,0,0,1,1,0|1,0,0]=3 16075 B17R3.8668 c1cn(cn1)CCNC2CCCC3C2C3 269862a_100000230061_100000697651 [0,0,0,1,1,0|2,0,0]=4 16076 B17R3.8668 c1cnn(c1)CCNC2CCCC3C2C3 269862a_100011200920_100000697651 [0,0,0,1,1,0|2,0,0]=4 16077 B17R3.8668 c1coc(c1)CCNC2CCCC3C2C3 269862a_100000694680_100000697651 [0,0,0,1,1,0|1,0,0]=3 16078 B17R3.8668 c1csc(c1)CCNC2CCCC3C2C3 269862a_100000203755_100000697651 [0,0,0,1,1,0|1,0,0]=3 16079 B17R3.8668 c1csc(n1)CCNC2CCCC3C2C3 269862a_100015186391_100000697651 [0,0,0,1,1,0|2,0,0]=4 16080 B17R3.8668 c1n[nH]cc1CCNC2CCCC3C2C3 269862a_100000732747_100000697651 [0,0,0,1,1,0|2,0,0]=4 16081 B17R3.8668 c1ncc(s1)CCNC2CCCC3C2C3 269862a_100016991637_100000697651 [0,0,0,1,1,0|2,0,0]=4 16082 B19R3.2164 c1ccc2c(c1)CCC2N3CCCCCCC3 2230a_100000211400_200000721974 [0,0,0,1,0,1|2,0,0]=4 16083 B19R3.2164 c1ccc2c(c1)CCC2N3CCCCCCC3 269982a_100000211400_200000721974 [0,0,0,1,0,1|2,0,0]=4 16084 B19R3.19309 c1ccc(cc1)CCO[C@H]2CO[C@@H]3[C@H]2CCO3 34a_100015698664_100000765856 [0,0,0,1,0,1|2,0,0]=4 16085 B19R3.19309 c1ccc(cc1)CCO[C@H]2CO[C@@H]3[C@H]2CCO3 7a_100015698664_100000765856 [0,0,0,1,0,1|2,0,0]=4 16086 B19R3.19315 c1ccc(cc1)CCCN2C[C@H]3CCC[C@H]3C2 2230a_100102946302_100000211621 [0,0,0,1,0,1|2,0,0]=4 16087 B19R3.19315 c1ccc(cc1)CCCN2C[C@H]3CCC[C@H]3C2 269982a_100102946302_100000211621 [0,0,0,1,0,1|2,0,0]=4 16088 B19R3.19315 c1ccc(cc1)CCCN2C[C@H]3CCC[C@H]3C2 34a_100102946302_100000211621 [0,0,0,1,0,1|2,0,0]=4 16089 B19R3.19315 c1ccc(cc1)CCCN2C[C@H]3COC[C@H]3C2 2230a_100000700037_100000211621 [0,0,0,1,0,1|2,0,0]=4 16090 B19R3.19315 c1ccc(cc1)CCCN2C[C@H]3COC[C@H]3C2 269982a_100000700037_100000211621 [0,0,0,1,0,1|2,0,0]=4 16091 B19R3.19315 c1ccc(cc1)CCCN2C[C@H]3COC[C@H]3C2 34a_100000700037_100000211621 [0,0,0,1,0,1|2,0,0]=4 16092 B19R3.324725 C\1=C\CCC(CCC1)SC2Cc3c2cccc3 62a_100009813401_100021000466 [0,0,0,1,0,1|1,0,1]=4 16093 B19R3.324725 C\1=C\CCC(CCC1)SC2Cc3c2cccc3 62a_100021000466_100009813401 [0,0,0,1,0,1|1,0,1]=4 16094 B19R3.324725 c1ccc2c(c1)CC2OC3CCCCCCC3 7a_100000210054_100009813401 [0,0,0,1,0,1|1,0,0]=3 16095 B19R3.1761382 c1ccc(cc1)CNCC23CCCC2CCC3 207a_100159271432_100015611070 [0,0,0,1,0,1|2,0,0]=4 16096 B19R3.1761382 c1ccc(cc1)CNCC23CCCC2CCC3 2230a_100159271432_100015291786 [0,0,0,1,0,1|2,0,0]=4 16097 B19R3.1761382 c1ccc(cc1)CNCC23CCCC2CCC3 270004a_100159271432_100015611070 [0,0,0,1,0,1|2,0,0]=4 16098 B19R3.1761382 c1ccc(cc1)CNCC23CCCC2CCC3 34a_100159271432_100015291786 [0,0,0,1,0,1|2,0,0]=4 16099 B19R3.1761382 c1ccc(cc1)COCC23CCCN2CCC3 34a_100000722608_100015291786 [0,0,0,1,0,1|2,0,0]=4 16100 B19R3.1761382 c1ccc(cc1)COCC23CCCN2CCC3 7a_100000722608_100000211182 [0,0,0,1,0,1|2,0,0]=4 16101 B19R3.19238 c1cc(ccn1)CCCNC2CCCC3C2C3 269862a_100011275580_100000697651 [0,0,0,1,0,1|1,0,0]=3 16102 B19R3.19238 c1cc(ccn1)OCCNC2CCCC3C2C3 269862a_100025717301_100000697651 [0,0,0,1,0,1|1,0,0]=3 16103 B19R3.19238 c1ccc(cc1)CCCNC2CCCC3C2C3 269862a_100000211184_100000697651 [0,0,0,1,0,1|0,0,0]=2 16104 B19R3.19238 c1ccc(cc1)CCNN=C2CCCC3C2C3 4a_100000740470_100000697651 [0,0,0,1,0,1|0,0,1]=3 16105 B19R3.19238 c1ccc(cc1)CCNN=C2CCCC3C2O3 4a_100000740470_100000037965 [0,0,0,1,0,1|1,0,1]=4 16106 B19R3.19238 c1ccc(cc1)OCCNC2CCCC3C2C3 269862a_100000174943_100000697651 [0,0,0,1,0,1|0,0,0]=2 16107 B19R3.19238 c1ccc(cc1)SCCNC2CCCC3C2C3 269862a_100000189519_100000697651 [0,0,0,1,0,1|0,0,0]=2 16108 B19R3.19238 c1ccc(nc1)CCCNC2CCCC3C2C3 269862a_100000689020_100000697651 [0,0,0,1,0,1|1,0,0]=3 16109 B19R3.19238 c1ccc(nc1)OCCNC2CCCC3C2C3 269862a_106741647558_100000697651 [0,0,0,1,0,1|1,0,0]=3 16110 B19R3.19238 c1cncc(c1)CCCNC2CCCC3C2C3 269862a_100011532358_100000697651 [0,0,0,1,0,1|1,0,0]=3 16111 B19R3.19238 c1cncc(c1)OCCNC2CCCC3C2C3 269862a_100000754688_100000697651 [0,0,0,1,0,1|1,0,0]=3 16112 B19R3.19312 C(#Cc1ccccc1)CN2C3CCC2COC3 2230a_100015205251_100011352542 [0,0,0,1,0,1|1,0,1]=4 16113 B19R3.19312 C(#Cc1ccccc1)CN2C3CCC2COC3 269982a_100015205251_100011352542 [0,0,0,1,0,1|1,0,1]=4 16114 B19R3.19312 C(#Cc1ccccc1)CN2C3CCC2COC3 34a_100015205251_100011352542 [0,0,0,1,0,1|1,0,1]=4 16115 B19R3.19312 C(=C/c1ccccc1)\CN2C3CCC2COC3 2230a_100015205251_100016265936 [0,0,0,1,0,1|1,0,1]=4 16116 B19R3.19312 C(=C/c1ccccc1)\CN2C3CCC2COC3 269982a_100015205251_100016265936 [0,0,0,1,0,1|1,0,1]=4 16117 B19R3.19312 C(=C/c1ccccc1)\CN2C3CCC2COC3 34a_100015205251_100016265936 [0,0,0,1,0,1|1,0,1]=4 16118 B19R3.19312 C(=Cc1ccccc1)CN2C3CCC2COC3 270004a_100015205251_100000210105 [0,0,0,1,0,1|1,0,1]=4 16119 B19R3.19312 c1ccc(cc1)CCCN2C3CCC2COC3 2230a_100015205251_100000211621 [0,0,0,1,0,1|1,0,0]=3 16120 B19R3.19312 c1ccc(cc1)CCCN2C3CCC2COC3 269982a_100015205251_100000211621 [0,0,0,1,0,1|1,0,0]=3 16121 B19R3.19312 c1ccc(cc1)CCCN2C3CCC2COC3 34a_100015205251_100000211621 [0,0,0,1,0,1|1,0,0]=3 16122 B19R3.19312 c1ccc(cc1)COCN2C3CCC2COC3 2230a_100015205251_100000763385 [0,0,0,1,0,1|1,0,0]=3 16123 B19R3.19312 c1ccc(cc1)COCN2C3CCC2COC3 34a_100015205251_100000763385 [0,0,0,1,0,1|1,0,0]=3 16124 B19R3.19312 c1ccc(cc1)CSCN2C3CCC2COC3 2230a_100015205251_200011217039 [0,0,0,1,0,1|1,0,0]=3 16125 B19R3.19312 c1ccc(cc1)CSCN2C3CCC2COC3 269982a_100015205251_200011217039 [0,0,0,1,0,1|1,0,0]=3 16126 B19R3.19312 c1ccc(cc1)CSCN2C3CCC2COC3 34a_100015205251_200011217039 [0,0,0,1,0,1|1,0,0]=3 16127 B19R3.19312 c1ccc(cc1)OCCN2C3CCC2COC3 2230a_100015205251_100000184471 [0,0,0,1,0,1|1,0,0]=3 16128 B19R3.19312 c1ccc(cc1)OCCN2C3CCC2COC3 269982a_100015205251_100000184471 [0,0,0,1,0,1|1,0,0]=3 16129 B19R3.19312 c1ccc(cc1)OCCN2C3CCC2COC3 270004a_100015205251_100000758736 [0,0,0,1,0,1|1,0,0]=3 16130 B19R3.19312 c1ccc(cc1)OCCN2C3CCC2COC3 34a_100015205251_100000184471 [0,0,0,1,0,1|1,0,0]=3 16131 B19R3.19312 c1ccc(cc1)SCCN2C3CCC2COC3 2230a_100015205251_100000246102 [0,0,0,1,0,1|1,0,0]=3 16132 B19R3.19312 c1ccc(cc1)SCCN2C3CCC2COC3 269982a_100015205251_100000246102 [0,0,0,1,0,1|1,0,0]=3 16133 B19R3.19312 c1ccc(cc1)SCCN2C3CCC2COC3 34a_100015205251_100000246102 [0,0,0,1,0,1|1,0,0]=3 16134 B19R3.324581 c1ccc(cc1)C[C@H]2CN2C3CCCCCC3 269982a_100016998360_100011217769 [0,0,0,1,0,1|0,0,0]=2 16135 B19R3.324581 c1ccc(cc1)C[C@H]2CN2C3CCCCCC3 270004a_100016998360_100000210131 [0,0,0,1,0,1|0,0,0]=2 16136 B19R3.324581 c1ccc(cc1)C[C@H]2CN2C3CCCCCC3 34a_100016998360_100011217769 [0,0,0,1,0,1|0,0,0]=2 16137 B19R3.324581 c1ccc(cc1)C[C@H]2CN2C3CCCNCC3 270004a_100016998360_100015187895 [0,0,0,1,0,1|1,0,0]=3 16138 B19R3.324581 c1ccc(cc1)C[C@H]2CN2C3CSCCSC3 270004a_100016998360_100000068409 [0,0,0,1,0,1|2,0,0]=4 16139 B19R3.324582 c1ccc(cc1)C2CCN2C3CCCCCC3 269982a_100000739605_100011217769 [0,0,0,1,0,1|0,0,0]=2 16140 B19R3.324582 c1ccc(cc1)C2CCN2C3CCCCCC3 270004a_100000739605_100000210131 [0,0,0,1,0,1|0,0,0]=2 16141 B19R3.324582 c1ccc(cc1)C2CCN2C3CCCNCC3 270004a_100000739605_100015187895 [0,0,0,1,0,1|1,0,0]=3 16142 B19R3.324582 c1ccc(cc1)C2CCN2C3CSCCSC3 270004a_100000739605_100000068409 [0,0,0,1,0,1|2,0,0]=4 16143 B19R3.324583 c1ccc2c(c1)CC2COC3CCCCCC3 34a_100012476685_100011217769 [0,0,0,1,0,1|1,0,0]=3 16144 B19R3.324583 c1ccc2c(c1)CC2OCC3CCCCCC3 7a_100000699130_100009813401 [0,0,0,1,0,1|1,0,0]=3 16145 B19R3.324583 c1ccc2c(c1)CC2SCC3CCCCCC3 62a_100009813401_200000696569 [0,0,0,1,0,1|1,0,0]=3 16146 B19R3.324583 c1ccc2c(c1)CC2SCC3CCCCCC3 62a_200000696569_100009813401 [0,0,0,1,0,1|1,0,0]=3 16147 B19R3.324604 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCCCCC3 34a_100020588832_100011217769 [0,0,0,1,0,1|0,0,0]=2 16148 B19R3.324613 c1ccc2c(c1)CCC2NC3CCCCCC3 2230a_100000210984_200000721974 [0,0,0,1,0,1|0,0,0]=2 16149 B19R3.324613 c1ccc2c(c1)CCC2NC3CCCCCC3 269862a_100000210984_100000212051 [0,0,0,1,0,1|0,0,0]=2 16150 B19R3.324613 c1ccc2c(c1)CCC2OC3CCCCCC3 34a_100000212247_100011217769 [0,0,0,1,0,1|1,0,0]=3 16151 B19R3.324613 c1ccc2c(c1)CCC2SC3CCCCCC3 62a_100011217769_200000721974 [0,0,0,1,0,1|1,0,0]=3 16152 B19R3.324613 c1ccc2c(c1)CC[C@@H]2NC3CCCCCC3 270004a_100016989578_100000210131 [0,0,0,1,0,1|0,0,0]=2 16153 B19R3.324613 c1ccc2c(c1)CC[C@@H]2NC3CCCCCC3 34a_100016989578_100011217769 [0,0,0,1,0,1|0,0,0]=2 16154 B19R3.324613 c1ccc2c(c1)CC[C@@H]2NC3CCCNCC3 270004a_100016989578_100015187895 [0,0,0,1,0,1|1,0,0]=3 16155 B19R3.324613 c1ccc2c(c1)CC[C@@H]2NC3CSCCSC3 270004a_100016989578_100000068409 [0,0,0,1,0,1|2,0,0]=4 16156 B19R3.324613 c1ccc2c(c1)OCC2NC3CCCCCC3 270004a_100000747519_100000210131 [0,0,0,1,0,1|0,0,0]=2 16157 B19R3.324613 c1ccc2c(c1)OCC2NC3CCCNCC3 270004a_100000747519_100015187895 [0,0,0,1,0,1|1,0,0]=3 16158 B19R3.324613 c1ccc2c(c1)OCC2NC3CSCCSC3 270004a_100000747519_100000068409 [0,0,0,1,0,1|2,0,0]=4 16159 B19R3.8694 O=C1CCCCCC1SC2Cc3c2cccc3 62a_100000243696_100009813401 [0,1,0,1,0,0|1,0,1]=4 16160 B19R3.8694 O=C1CCCCCC1SC2Cc3c2cccc3 62a_100009813401_100000243696 [0,1,0,1,0,0|1,0,1]=4 16161 B19R3.54122 Brc1cccc(c1)CCN2C3CCC2COC3 2230a_100015205251_100011740638 [0,1,0,1,0,0|1,0,0]=3 16162 B19R3.54122 Brc1cccc(c1)CCN2C3CCC2COC3 269982a_100015205251_100011740638 [0,1,0,1,0,0|1,0,0]=3 16163 B19R3.54122 Brc1cccc(c1)CCN2C3CCC2COC3 34a_100015205251_100011740638 [0,1,0,1,0,0|1,0,0]=3 16164 B19R3.54122 Cc1cccc(c1)CCN2C3CCC2COC3 2230a_100015205251_100011713685 [0,1,0,1,0,0|1,0,0]=3 16165 B19R3.54122 Cc1cccc(c1)CCN2C3CCC2COC3 269982a_100015205251_100011713685 [0,1,0,1,0,0|1,0,0]=3 16166 B19R3.54122 Cc1cccc(c1)CCN2C3CCC2COC3 34a_100015205251_100011713685 [0,1,0,1,0,0|1,0,0]=3 16167 B19R3.54122 Clc1cccc(c1)CCN2C3CCC2COC3 2230a_100015205251_100011713710 [0,1,0,1,0,0|1,0,0]=3 16168 B19R3.54122 Clc1cccc(c1)CCN2C3CCC2COC3 269982a_100015205251_100011713710 [0,1,0,1,0,0|1,0,0]=3 16169 B19R3.54122 Clc1cccc(c1)CCN2C3CCC2COC3 34a_100015205251_100011713710 [0,1,0,1,0,0|1,0,0]=3 16170 B19R3.54122 Fc1cccc(c1)CCN2C3CCC2COC3 2230a_100015205251_100011217235 [0,1,0,1,0,0|1,0,0]=3 16171 B19R3.54122 Fc1cccc(c1)CCN2C3CCC2COC3 269982a_100015205251_100011217235 [0,1,0,1,0,0|1,0,0]=3 16172 B19R3.54122 Fc1cccc(c1)CCN2C3CCC2COC3 34a_100015205251_100011217235 [0,1,0,1,0,0|1,0,0]=3 16173 B19R3.54362 Brc1cccc(c1)CCNC2CCCC3C2C3 269862a_100011207229_100000697651 [0,1,0,1,0,0|0,0,0]=2 16174 B19R3.54362 Cc1cccc(c1)CCNC2CCCC3C2C3 269862a_100000749837_100000697651 [0,1,0,1,0,0|0,0,0]=2 16175 B19R3.54362 Cc1cccc(n1)CCNC2CCCC3C2C3 269862a_100011824523_100000697651 [0,1,0,1,0,0|1,0,0]=3 16176 B19R3.54362 Clc1cccc(c1)CCNC2CCCC3C2C3 269862a_100000185263_100000697651 [0,1,0,1,0,0|0,0,0]=2 16177 B19R3.54362 Fc1cccc(c1)CCNC2CCCC3C2C3 269862a_100000205154_100000697651 [0,1,0,1,0,0|0,0,0]=2 16178 B19R3.54362 Oc1cccc(c1)CCNC2CCCC3C2C3 269862a_100000747277_100000697651 [0,1,0,1,0,0|0,0,0]=2 16179 B19R3.5420 OC1CCCCN(C1)C2CCc3c2cccc3 2230a_100025706797_200000721974 [0,1,0,1,0,0|2,0,0]=4 16180 B19R3.5420 OC1CCCCN(C1)C2CCc3c2cccc3 269982a_100025706797_200000721974 [0,1,0,1,0,0|2,0,0]=4 16181 B19R3.8930 CN1CC2CCC(C1)N2CCc3ccccc3 2230a_100016987348_100000765856 [0,1,0,1,0,0|1,0,0]=3 16182 B19R3.8930 CN1CC2CCC(C1)N2CCc3ccccc3 269982a_100016987348_100000765856 [0,1,0,1,0,0|1,0,0]=3 16183 B19R3.8930 CN1CC2CCC(C1)N2CCc3ccccn3 2230a_100016987348_100015183660 [0,1,0,1,0,0|2,0,0]=4 16184 B19R3.8930 CN1CC2CCC(C1)N2CCc3ccccn3 269982a_100016987348_100015183660 [0,1,0,1,0,0|2,0,0]=4 16185 B19R3.8930 CN1CC2CCC(C1)N2CCc3cccnc3 2230a_100016987348_200011713674 [0,1,0,1,0,0|2,0,0]=4 16186 B19R3.8930 CN1CC2CCC(C1)N2CCc3cccnc3 269982a_100016987348_200011713674 [0,1,0,1,0,0|2,0,0]=4 16187 B19R3.8930 CN1CC2CCC(C1)N2CCc3ccncc3 2230a_100016987348_100000723409 [0,1,0,1,0,0|2,0,0]=4 16188 B19R3.8930 CN1CC2CCC(C1)N2CCc3ccncc3 269982a_100016987348_100000723409 [0,1,0,1,0,0|2,0,0]=4 16189 B19R3.8930 CN1CC2CCC(C1)N2CSc3ccccc3 2230a_100016987348_100011218342 [0,1,0,1,0,0|2,0,0]=4 16190 B19R3.8930 CN1CC2CCC(C1)N2CSc3ccccc3 269982a_100016987348_100011218342 [0,1,0,1,0,0|2,0,0]=4 16191 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3ccccc3 2230a_100103153168_100000765856 [0,1,0,1,0,0|0,0,0]=2 16192 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3ccccc3 269982a_100103153168_100000765856 [0,1,0,1,0,0|0,0,0]=2 16193 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3ccccn3 2230a_100103153168_100015183660 [0,1,0,1,0,0|1,0,0]=3 16194 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3ccccn3 269982a_100103153168_100015183660 [0,1,0,1,0,0|1,0,0]=3 16195 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3cccnc3 2230a_100103153168_200011713674 [0,1,0,1,0,0|1,0,0]=3 16196 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3cccnc3 269982a_100103153168_200011713674 [0,1,0,1,0,0|1,0,0]=3 16197 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3ccncc3 2230a_100103153168_100000723409 [0,1,0,1,0,0|1,0,0]=3 16198 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CCc3ccncc3 269982a_100103153168_100000723409 [0,1,0,1,0,0|1,0,0]=3 16199 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CSc3ccccc3 2230a_100103153168_100011218342 [0,1,0,1,0,0|1,0,0]=3 16200 B19R3.8930 O[C@H]1C[C@H]2CC[C@@H](C1)N2CSc3ccccc3 269982a_100103153168_100011218342 [0,1,0,1,0,0|1,0,0]=3 16201 B19R3.1761475 c1cc(ccn1)CCNC2CC3CCC(C2)N3 270004a_100000742849_100000708817 [0,1,0,1,0,0|1,0,0]=3 16202 B19R3.1761475 c1cc(ccn1)CCNC2CC3CCC(C2)O3 270004a_100000742849_100010474450 [0,1,0,1,0,0|1,0,0]=3 16203 B19R3.1761475 c1ccc(cc1)CCCN2CC3CCC(C2)O3 2230a_100015188616_100000211621 [0,1,0,1,0,0|2,0,0]=4 16204 B19R3.1761475 c1ccc(cc1)CCCN2CC3CCC(C2)O3 269982a_100015188616_100000211621 [0,1,0,1,0,0|2,0,0]=4 16205 B19R3.1761475 c1ccc(cc1)CCCN2CC3CCC(C2)O3 34a_100015188616_100000211621 [0,1,0,1,0,0|2,0,0]=4 16206 B19R3.1761475 c1ccc(cc1)CCNC2CC3CCC(C2)N3 270004a_100000106460_100000708817 [0,1,0,1,0,0|0,0,0]=2 16207 B19R3.1761475 c1ccc(cc1)CCNC2CC3CCC(C2)O3 270004a_100000106460_100010474450 [0,1,0,1,0,0|0,0,0]=2 16208 B19R3.1761475 c1ccc(cc1)COC[C@@H]2C[C@H]3CC[C@@H](C2)N3 34a_100103153839_100015291786 [0,1,0,1,0,0|2,0,0]=4 16209 B19R3.1761475 c1ccc(nc1)CCNC2CC3CCC(C2)N3 270004a_100000211156_100000708817 [0,1,0,1,0,0|1,0,0]=3 16210 B19R3.1761475 c1ccc(nc1)CCNC2CC3CCC(C2)O3 270004a_100000211156_100010474450 [0,1,0,1,0,0|1,0,0]=3 16211 B19R3.1761475 c1cnc(cn1)CCNC2CC3CCC(C2)N3 270004a_100000723456_100000708817 [0,1,0,1,0,0|2,0,0]=4 16212 B19R3.1761475 c1cnc(cn1)CCNC2CC3CCC(C2)O3 270004a_100000723456_100010474450 [0,1,0,1,0,0|2,0,0]=4 16213 B19R3.1761475 c1cncc(c1)CCNC2CC3CCC(C2)N3 270004a_100000736294_100000708817 [0,1,0,1,0,0|1,0,0]=3 16214 B19R3.1761475 c1cncc(c1)CCNC2CC3CCC(C2)O3 270004a_100000736294_100010474450 [0,1,0,1,0,0|1,0,0]=3 16215 B19R3.5438 CC1CCCN(CC1)C2CCc3c2cccc3 2230a_100025706717_200000721974 [0,1,0,1,0,0|2,0,0]=4 16216 B19R3.5438 CC1CCCN(CC1)C2CCc3c2cccc3 269982a_100025706717_200000721974 [0,1,0,1,0,0|2,0,0]=4 16217 B19R3.5438 OC1CCCN(CC1)C2CCc3c2cccc3 2230a_100015186869_200000721974 [0,1,0,1,0,0|2,0,0]=4 16218 B19R3.5438 OC1CCCN(CC1)C2CCc3c2cccc3 269982a_100015186869_200000721974 [0,1,0,1,0,0|2,0,0]=4 16219 B19R3.57992 Brc1ccccc1CCN2C3CCC2COC3 2230a_100015205251_100012161201 [0,1,0,1,0,0|1,0,0]=3 16220 B19R3.57992 Brc1ccccc1CCN2C3CCC2COC3 269982a_100015205251_100012161201 [0,1,0,1,0,0|1,0,0]=3 16221 B19R3.57992 Brc1ccccc1CCN2C3CCC2COC3 34a_100015205251_100012161201 [0,1,0,1,0,0|1,0,0]=3 16222 B19R3.57992 Cc1ccccc1CCN2C3CCC2COC3 2230a_100015205251_100011713688 [0,1,0,1,0,0|1,0,0]=3 16223 B19R3.57992 Cc1ccccc1CCN2C3CCC2COC3 269982a_100015205251_100011713688 [0,1,0,1,0,0|1,0,0]=3 16224 B19R3.57992 Cc1ccccc1CCN2C3CCC2COC3 34a_100015205251_100011713688 [0,1,0,1,0,0|1,0,0]=3 16225 B19R3.57992 Clc1ccccc1CCN2C3CCC2COC3 2230a_100015205251_100011713703 [0,1,0,1,0,0|1,0,0]=3 16226 B19R3.57992 Clc1ccccc1CCN2C3CCC2COC3 269982a_100015205251_100011713703 [0,1,0,1,0,0|1,0,0]=3 16227 B19R3.57992 Clc1ccccc1CCN2C3CCC2COC3 270004a_100015205251_200011713468 [0,1,0,1,0,0|1,0,0]=3 16228 B19R3.57992 Clc1ccccc1CCN2C3CCC2COC3 34a_100015205251_100011713703 [0,1,0,1,0,0|1,0,0]=3 16229 B19R3.57992 Fc1ccccc1CCN2C3CCC2COC3 2230a_100015205251_100011713696 [0,1,0,1,0,0|1,0,0]=3 16230 B19R3.57992 Fc1ccccc1CCN2C3CCC2COC3 269982a_100015205251_100011713696 [0,1,0,1,0,0|1,0,0]=3 16231 B19R3.57992 Fc1ccccc1CCN2C3CCC2COC3 34a_100015205251_100000720011 [0,1,0,1,0,0|1,0,0]=3 16232 B19R3.57992 Oc1ccccc1CCN2C3CCC2COC3 269982a_100015205251_100000722297 [0,1,0,1,0,0|1,0,0]=3 16233 B19R3.57992 Oc1ccccc1CCN2C3CCC2COC3 34a_100015205251_100000722297 [0,1,0,1,0,0|1,0,0]=3 16234 B19R3.80013 Brc1ccccc1CCNC2CCCC3C2C3 269862a_100000747383_100000697651 [0,1,0,1,0,0|0,0,0]=2 16235 B19R3.80013 Cc1ccccc1CCNC2CCCC3C2C3 269862a_100000685071_100000697651 [0,1,0,1,0,0|0,0,0]=2 16236 B19R3.80013 Clc1ccccc1CCNC2CCCC3C2C3 269862a_100011207228_100000697651 [0,1,0,1,0,0|0,0,0]=2 16237 B19R3.80013 Fc1ccccc1CCNC2CCCC3C2C3 269862a_100000185272_100000697651 [0,1,0,1,0,0|0,0,0]=2 16238 B19R3.80013 O=c1ccccn1CCNC2CCCC3C2C3 269862a_100000687133_100000697651 [0,1,0,1,0,0|1,0,0]=3 16239 B19R3.80013 Oc1ccccc1CCNC2CCCC3C2C3 269862a_100011207237_100000697651 [0,1,0,1,0,0|0,0,0]=2 16240 B19R3.324605 c1cc2c(cn1)CCN(C2)C3CCCCCC3 269982a_100020645890_100011217769 [0,1,0,1,0,0|1,0,0]=3 16241 B19R3.324605 c1cc2c(cn1)CCN(C2)C3CCCCCC3 270004a_100020645890_100000210131 [0,1,0,1,0,0|1,0,0]=3 16242 B19R3.324605 c1cc2c(cn1)CCN(C2)C3CCCNCC3 270004a_100020645890_100015187895 [0,1,0,1,0,0|2,0,0]=4 16243 B19R3.324605 c1cc2c(cn1)CN(CC2)C3CCCCCC3 269982a_100015190008_100011217769 [0,1,0,1,0,0|1,0,0]=3 16244 B19R3.324605 c1cc2c(cn1)CN(CC2)C3CCCCCC3 270004a_100015190008_100000210131 [0,1,0,1,0,0|1,0,0]=3 16245 B19R3.324605 c1cc2c(cn1)CN(CC2)C3CCCNCC3 270004a_100015190008_100015187895 [0,1,0,1,0,0|2,0,0]=4 16246 B19R3.324605 c1ccc2c(c1)CCC(C2)N3CCCCCC3 270004a_100000185865_100000212018 [0,1,0,1,0,0|2,0,0]=4 16247 B19R3.324605 c1ccc2c(c1)CCN(C2)C3CCCCCC3 269982a_100000188457_100011217769 [0,1,0,1,0,0|0,0,0]=2 16248 B19R3.324605 c1ccc2c(c1)CCN(C2)C3CCCCCC3 270004a_100000188457_100000210131 [0,1,0,1,0,0|0,0,0]=2 16249 B19R3.324605 c1ccc2c(c1)CCN(C2)C3CCCCCC3 34a_100000188457_100011217769 [0,1,0,1,0,0|0,0,0]=2 16250 B19R3.324605 c1ccc2c(c1)CCN(C2)C3CCCNCC3 270004a_100000188457_100015187895 [0,1,0,1,0,0|1,0,0]=3 16251 B19R3.324605 c1ccc2c(c1)CCN(C2)C3CSCCSC3 270004a_100000188457_100000068409 [0,1,0,1,0,0|2,0,0]=4 16252 B19R3.324605 c1cnc2c(c1)CCN(C2)C3CCCCCC3 269982a_100015206102_100011217769 [0,1,0,1,0,0|1,0,0]=3 16253 B19R3.324605 c1cnc2c(c1)CCN(C2)C3CCCCCC3 270004a_100015206102_100000210131 [0,1,0,1,0,0|1,0,0]=3 16254 B19R3.324605 c1cnc2c(c1)CCN(C2)C3CCCNCC3 270004a_100015206102_100015187895 [0,1,0,1,0,0|2,0,0]=4 16255 B19R3.324605 c1cnc2c(c1)CN(CC2)C3CCCCCC3 269982a_100000699647_100011217769 [0,1,0,1,0,0|1,0,0]=3 16256 B19R3.324605 c1cnc2c(c1)CN(CC2)C3CCCCCC3 270004a_100000699647_100000210131 [0,1,0,1,0,0|1,0,0]=3 16257 B19R3.324605 c1cnc2c(c1)CN(CC2)C3CCCNCC3 270004a_100000699647_100015187895 [0,1,0,1,0,0|2,0,0]=4 16258 B19R3.324605 c1ncc2c(n1)CCN(C2)C3CCCCCC3 269982a_100012000121_100011217769 [0,1,0,1,0,0|2,0,0]=4 16259 B19R3.324605 c1ncc2c(n1)CCN(C2)C3CCCCCC3 270004a_100012000121_100000210131 [0,1,0,1,0,0|2,0,0]=4 16260 B19R3.1671973 c1ccc2[nH]c(nc2c1)NC3CCCCCC3 27a_100000210984_100009814255 [0,1,0,1,0,0|1,0,1]=4 16261 B19R3.1671973 c1ccc2c(c1)CC(C2)NC3CCCCCC3 270004a_100000753258_100000210131 [0,1,0,1,0,0|0,0,0]=2 16262 B19R3.1671973 c1ccc2c(c1)CC(C2)NC3CCCCCC3 34a_100000210984_100000753484 [0,1,0,1,0,0|0,0,0]=2 16263 B19R3.1671973 c1ccc2c(c1)CC(C2)NC3CCCCCC3 34a_100000753258_100011217769 [0,1,0,1,0,0|0,0,0]=2 16264 B19R3.1671973 c1ccc2c(c1)CC(C2)NC3CCCNCC3 270004a_100000753258_100015187895 [0,1,0,1,0,0|1,0,0]=3 16265 B19R3.1671973 c1ccc2c(c1)CC(C2)NC3CSCCSC3 270004a_100000753258_100000068409 [0,1,0,1,0,0|2,0,0]=4 16266 B19R3.1671973 c1ccc2c(c1)CC(C2)OC3CCCCCC3 34a_100000210887_100000753484 [0,1,0,1,0,0|1,0,0]=3 16267 B19R3.1671973 c1ccc2c(c1)CC(C2)OC3CCCCCC3 34a_100011215286_100011217769 [0,1,0,1,0,0|1,0,0]=3 16268 B19R3.1671973 c1ccc2c(c1)CC(C2)OC3CCCCCC3 7a_100000210887_100000753484 [0,1,0,1,0,0|1,0,0]=3 16269 B19R3.1671973 c1ccc2c(c1)CC(C2)SC3CCCCCC3 62a_100011217769_100000753484 [0,1,0,1,0,0|1,0,0]=3 16270 B19R3.1671973 c1ccc2c(c1)CN(C2)CC3CCCCCC3 2230a_100000752595_200000696569 [0,1,0,1,0,0|2,0,0]=4 16271 B19R3.1671973 c1ccc2c(c1)CN(C2)CC3CCCCCC3 269982a_100000752595_200000696569 [0,1,0,1,0,0|2,0,0]=4 16272 B19R3.1671973 c1ccc2c(c1)CN(C2)CC3CCCCCC3 34a_100000752595_200000696569 [0,1,0,1,0,0|2,0,0]=4 16273 B19R3.1671973 c1ccc2sc(nc2c1)NC3CCCCCC3 27a_100000210984_100000751744 [0,1,0,1,0,0|1,0,1]=4 16274 B19R3.10803 CC(Cc1ccccn1)NC2CCCC3C2C3 269862a_100000238496_100000697651 [0,1,0,1,0,0|1,0,0]=3 16275 B19R3.10803 CC(Cc1cccnc1)NC2CCCC3C2C3 269862a_100011207255_100000697651 [0,1,0,1,0,0|1,0,0]=3 16276 B19R3.10803 CC(Cc1cnccn1)NC2CCCC3C2C3 269862a_100011277835_100000697651 [0,1,0,1,0,0|2,0,0]=4 16277 B19R3.202331 CC(C[n+]1ccccc1)N2C3CCC2COC3 270004a_100015205251_100000034229 [0,1,0,1,0,0|2,0,0]=4 16278 B19R3.202331 CC(Cc1ccccc1)N2C3CCC2COC3 269982a_100015205251_200011218536 [0,1,0,1,0,0|1,0,0]=3 16279 B19R3.202331 CC(Cc1ccccc1)N2C3CCC2COC3 34a_100015205251_200011218536 [0,1,0,1,0,0|1,0,0]=3 16280 B19R3.202331 CC(Cc1cccnc1)N2C3CCC2COC3 270004a_100015205251_100015187140 [0,1,0,1,0,0|2,0,0]=4 16281 B19R3.202331 CC(Cc1ccncc1)N2C3CCC2COC3 270004a_100015205251_100000238508 [0,1,0,1,0,0|2,0,0]=4 16282 B19R3.202282 CC(CNC1CCCC2C1C2)c3ccccc3 269862a_100000701038_100000697651 [0,1,0,1,0,0|0,0,0]=2 16283 B19R3.202282 OC(CNC1CCCC2C1C2)c3ccccc3 269862a_100000210709_100000697651 [0,1,0,1,0,0|0,0,0]=2 16284 B19R3.202282 OC(CNC1CCCC2C1C2)c3ccccn3 269862a_100000691469_100000697651 [0,1,0,1,0,0|1,0,0]=3 16285 B19R3.202282 OC(CNC1CCCC2C1C2)c3cccnc3 269862a_100020605170_100000697651 [0,1,0,1,0,0|1,0,0]=3 16286 B19R3.324591 c1cc(ccn1)C2CN(C2)C3CCCCCC3 269982a_100015185986_100011217769 [0,1,0,1,0,0|1,0,0]=3 16287 B19R3.324591 c1cc(ccn1)C2CN(C2)C3CCCCCC3 270004a_100015185986_100000210131 [0,1,0,1,0,0|1,0,0]=3 16288 B19R3.324591 c1cc(ccn1)C2CN(C2)C3CCCNCC3 270004a_100015185986_100015187895 [0,1,0,1,0,0|2,0,0]=4 16289 B19R3.324591 c1ccc(cc1)C2CC(C2)N3CCCCCC3 270004a_100000185865_100000741317 [0,1,0,1,0,0|2,0,0]=4 16290 B19R3.324591 c1cncc(c1)C2CN(C2)C3CCCCCC3 269982a_100015183634_100011217769 [0,1,0,1,0,0|1,0,0]=3 16291 B19R3.324591 c1cncc(c1)C2CN(C2)C3CCCCCC3 270004a_100015183634_100000210131 [0,1,0,1,0,0|1,0,0]=3 16292 B19R3.324591 c1cncc(c1)C2CN(C2)C3CCCNCC3 270004a_100015183634_100015187895 [0,1,0,1,0,0|2,0,0]=4 16293 B19R3.677848 CC(CN1C2CCC1COC2)c3ccccc3 2230a_100015205251_100000756946 [0,1,0,1,0,0|1,0,0]=3 16294 B19R3.677848 CC(CN1C2CCC1COC2)c3ccccc3 269982a_100015205251_100000756946 [0,1,0,1,0,0|1,0,0]=3 16295 B19R3.677848 CC(CN1C2CCC1COC2)c3ccccc3 270004a_100015205251_100000212034 [0,1,0,1,0,0|1,0,0]=3 16296 B19R3.677848 CC(CN1C2CCC1COC2)c3ccccc3 34a_100015205251_100000756946 [0,1,0,1,0,0|1,0,0]=3 16297 B19R3.677848 O=C(CN1C2CCC1COC2)c3ccccc3 269982a_100015205251_100000211460 [0,1,0,1,0,0|1,0,1]=4 16298 B19R3.677848 O=S(CN1C2CCC1COC2)c3ccccc3 269982a_100015205251_100000031784 [0,1,0,1,0,0|2,0,0]=4 16299 B19R3.677848 OC(CN1C2CCC1COC2)c3ccccc3 2230a_100015205251_100000185958 [0,1,0,1,0,0|1,0,0]=3 16300 B19R3.677848 OC(CN1C2CCC1COC2)c3ccccc3 34a_100015205251_100000185958 [0,1,0,1,0,0|1,0,0]=3 16301 B19R3.677848 O[C@H](CN1C2CCC1COC2)c3ccccc3 2230a_100015205251_100011933945 [0,1,0,1,0,0|1,0,0]=3 16302 B19R3.677848 O[C@H](CN1C2CCC1COC2)c3ccccc3 34a_100015205251_100011933945 [0,1,0,1,0,0|1,0,0]=3 16303 B19R3.13180 Brc1ccc(cc1)CCNC2CCCC3C2C3 269862a_100000755846_100000697651 [0,1,0,1,0,0|0,0,0]=2 16304 B19R3.13180 Cc1ccc(cc1)CCNC2CCCC3C2C3 269862a_100000705350_100000697651 [0,1,0,1,0,0|0,0,0]=2 16305 B19R3.13180 Clc1ccc(cc1)CCNC2CCCC3C2C3 269862a_100000185265_100000697651 [0,1,0,1,0,0|0,0,0]=2 16306 B19R3.13180 Fc1ccc(cc1)CCNC2CCCC3C2C3 269862a_100000199005_100000697651 [0,1,0,1,0,0|0,0,0]=2 16307 B19R3.13180 Oc1ccc(cc1)CCNC2CCCC3C2C3 269862a_100000743037_100000697651 [0,1,0,1,0,0|0,0,0]=2 16308 B19R3.239610 Brc1ccc(cc1)CCN2C3CCC2COC3 2230a_100015205251_100011740612 [0,1,0,1,0,0|1,0,0]=3 16309 B19R3.239610 Brc1ccc(cc1)CCN2C3CCC2COC3 269982a_100015205251_100011740612 [0,1,0,1,0,0|1,0,0]=3 16310 B19R3.239610 Brc1ccc(cc1)CCN2C3CCC2COC3 34a_100015205251_100011740612 [0,1,0,1,0,0|1,0,0]=3 16311 B19R3.239610 Cc1ccc(cc1)CCN2C3CCC2COC3 2230a_100015205251_100011713686 [0,1,0,1,0,0|1,0,0]=3 16312 B19R3.239610 Cc1ccc(cc1)CCN2C3CCC2COC3 269982a_100015205251_100011713686 [0,1,0,1,0,0|1,0,0]=3 16313 B19R3.239610 Cc1ccc(cc1)CCN2C3CCC2COC3 34a_100015205251_100011713686 [0,1,0,1,0,0|1,0,0]=3 16314 B19R3.239610 Clc1ccc(cc1)CCN2C3CCC2COC3 2230a_100015205251_100011713675 [0,1,0,1,0,0|1,0,0]=3 16315 B19R3.239610 Clc1ccc(cc1)CCN2C3CCC2COC3 269982a_100015205251_100011713675 [0,1,0,1,0,0|1,0,0]=3 16316 B19R3.239610 Clc1ccc(cc1)CCN2C3CCC2COC3 34a_100015205251_100011713675 [0,1,0,1,0,0|1,0,0]=3 16317 B19R3.239610 Fc1ccc(cc1)CCN2C3CCC2COC3 2230a_100015205251_100011217392 [0,1,0,1,0,0|1,0,0]=3 16318 B19R3.239610 Fc1ccc(cc1)CCN2C3CCC2COC3 269982a_100015205251_100011217392 [0,1,0,1,0,0|1,0,0]=3 16319 B19R3.239610 Fc1ccc(cc1)CCN2C3CCC2COC3 34a_100015205251_100011217392 [0,1,0,1,0,0|1,0,0]=3 16320 B19R3.239610 Oc1ccc(cc1)CCN2C3CCC2COC3 2230a_100015205251_100009816426 [0,1,0,1,0,0|1,0,0]=3 16321 B19R3.239610 Oc1ccc(cc1)CCN2C3CCC2COC3 269982a_100015205251_100009816426 [0,1,0,1,0,0|1,0,0]=3 16322 B19R3.16967 O=C(CCc1ccccc1)[C@H]2[C@H]3[C@@H]2CCCC3 1458a_100153394716_100000765856 [0,1,0,1,0,0|1,0,0]=3 16323 B19R3.16967 O=C(CCc1ccccn1)[C@H]2[C@H]3[C@@H]2CCCC3 1458a_100153394716_100015183660 [0,1,0,1,0,0|2,0,0]=4 16324 B19R3.16967 O=C(CCc1cccnc1)[C@H]2[C@H]3[C@@H]2CCCC3 1458a_100153394716_200011713674 [0,1,0,1,0,0|2,0,0]=4 16325 B19R3.16967 O=C(CCc1ccncc1)[C@H]2[C@H]3[C@@H]2CCCC3 1458a_100153394716_100000723409 [0,1,0,1,0,0|2,0,0]=4 16326 B19R3.16967 O=C(NCc1ccccc1)[C@H]2[C@H]3[C@@H]2CCCC3 11a_100015324214_100153394716 [0,1,0,1,0,0|2,0,0]=4 16327 B19R3.16967 O=C(NCc1ccccc1)[C@H]2[C@H]3[C@@H]2CCCC3 1626a_100015324214_100153394716 [0,1,0,1,0,0|2,0,0]=4 16328 B19R3.16967 O=C(NCc1ccccc1)[C@H]2[C@H]3[C@@H]2CCCC3 240690a_100015324214_100153394716 [0,1,0,1,0,0|2,0,0]=4 16329 B19R3.16967 O=C(NCc1ccccc1)[C@H]2[C@H]3[C@@H]2CCCC3 527a_100015324214_100153394716 [0,1,0,1,0,0|2,0,0]=4 16330 B19R3.324316 CN(C1CCCCCC1)C2Cc3c2cccc3 269982a_100015185097_100009813401 [0,1,0,1,0,0|0,0,0]=2 16331 B19R3.324316 O=C(C1CCCCCC1)C2Cc3c2cccc3 1458a_200000238571_100011217769 [0,1,0,1,0,0|1,0,0]=3 16332 B19R3.324316 O=C(C1Cc2c1cccc2)N3CCCCCC3 11a_100000185865_200000238571 [0,1,0,1,0,0|2,0,0]=4 16333 B19R3.324316 O=C(C1Cc2c1cccc2)N3CCCCCC3 1626a_100000185865_200000238571 [0,1,0,1,0,0|2,0,0]=4 16334 B19R3.324316 O=C(C1Cc2c1cccc2)N3CCCCCC3 240690a_100000185865_200000238571 [0,1,0,1,0,0|2,0,0]=4 16335 B19R3.324316 O=C(C1Cc2c1cccc2)N3CCCCCC3 527a_100000185865_200000238571 [0,1,0,1,0,0|2,0,0]=4 16336 B19R3.2245853 CC1(CCCCCC1)OC2Cc3c2cccc3 7a_100000708895_100009813401 [0,1,0,1,0,0|1,0,0]=3 16337 B19R4.24018 c1ccc2c(c1)CC2N3C4CCC3COC4 269982a_100015205251_100009813401 [0,0,0,2,0,0|1,0,0]=3 16338 B15R1.528 CCCCCCCCCCc1ccco1 271570a_100000061613_100009814098 [0,0,1,0,1,0|2,0,0]=4 16339 B15R1.528 CCCCCCCCCCc1cccs1 271570a_100000061613_100011215356 [0,0,1,0,1,0|2,0,0]=4 16340 B15R1.528 CCCCCCCCCCc1ccoc1 271570a_100000061613_100011215275 [0,0,1,0,1,0|2,0,0]=4 16341 B15R1.528 CCCCCCCCCCc1ccsc1 271570a_100000061613_100000738268 [0,0,1,0,1,0|2,0,0]=4 16342 B15R1.528 CCCCCCCNCCc1c[nH]cn1 2230a_100000229938_100020628418 [0,0,1,0,1,0|2,0,0]=4 16343 B15R1.528 CCCCCCCNCCc1ccco1 2230a_100000694680_100000210681 [0,0,1,0,1,0|1,0,0]=3 16344 B15R1.528 CCCCCCCNCCc1ccco1 34a_100000694680_100000210614 [0,0,1,0,1,0|1,0,0]=3 16345 B15R1.528 CCCCCCCNCCc1cccs1 2230a_100000203755_100000210681 [0,0,1,0,1,0|1,0,0]=3 16346 B15R1.528 CCCCCCCNCCc1cccs1 2230a_100000229938_100000748579 [0,0,1,0,1,0|1,0,0]=3 16347 B15R1.528 CCCCCCCNCCc1cccs1 34a_100000203755_100000210614 [0,0,1,0,1,0|1,0,0]=3 16348 B15R1.528 CCCCCCCNCCc1ccsc1 2230a_100000692642_100000210681 [0,0,1,0,1,0|1,0,0]=3 16349 B15R1.528 CCCCCCCNCCc1ccsc1 34a_100000692642_100000210614 [0,0,1,0,1,0|1,0,0]=3 16350 B15R1.528 CCCCCCCNCCc1cn[nH]c1 2230a_100000229938_100000743252 [0,0,1,0,1,0|2,0,0]=4 16351 B15R1.528 CCCCCCCNCCc1cn[nH]c1 2230a_100000732747_100000210681 [0,0,1,0,1,0|2,0,0]=4 16352 B15R1.528 CCCCCCCNCCc1cncs1 2230a_100016991637_100000210681 [0,0,1,0,1,0|2,0,0]=4 16353 B15R1.528 CCCCCCCNCCc1nccs1 2230a_100015186391_100000210681 [0,0,1,0,1,0|2,0,0]=4 16354 B15R1.528 CCCCCCCNCCn1cccc1 2230a_100000229938_200009811947 [0,0,1,0,1,0|1,0,0]=3 16355 B15R1.528 CCCCCCCNCCn1cccc1 34a_100011368172_100000210614 [0,0,1,0,1,0|1,0,0]=3 16356 B15R1.528 CCCCCCCNCCn1cccn1 2230a_100000229938_100000685285 [0,0,1,0,1,0|2,0,0]=4 16357 B15R1.528 CCCCCCCNCCn1cccn1 2230a_100011200920_100000210681 [0,0,1,0,1,0|2,0,0]=4 16358 B15R1.528 CCCCCCCOCCc1cccs1 34a_100000210272_100000748579 [0,0,1,0,1,0|2,0,0]=4 16359 B15R1.528 CCCCCCCOCCc1cccs1 34a_100011216825_100000210614 [0,0,1,0,1,0|2,0,0]=4 16360 B15R1.528 CCCCCCCOCCc1cccs1 7a_100000210272_100000748579 [0,0,1,0,1,0|2,0,0]=4 16361 B15R1.528 CCCCCCCOCCc1cccs1 7a_100011216825_100000210614 [0,0,1,0,1,0|2,0,0]=4 16362 B15R1.528 CCCCCCCOCCc1ccsc1 34a_100000748821_100000210614 [0,0,1,0,1,0|2,0,0]=4 16363 B15R1.528 CCCCCCCOCCn1cccc1 34a_100000179382_100000210614 [0,0,1,0,1,0|2,0,0]=4 16364 B15R1.528 CCCCCCCOCCn1cccc1 7a_100000210272_200000035178 [0,0,1,0,1,0|2,0,0]=4 16365 B15R1.528 CCCCCCCSCCc1cccs1 62a_100000210614_100000748579 [0,0,1,0,1,0|2,0,0]=4 16366 B15R1.528 CCCCCCCSCCc1cccs1 62a_100000748579_100000210316 [0,0,1,0,1,0|2,0,0]=4 16367 B15R1.528 CCCCCCCSCCn1cccc1 62a_100000210614_200000035178 [0,0,1,0,1,0|2,0,0]=4 16368 B15R1.528 CCCCCCCSCCn1cccc1 62a_200009811947_100000210316 [0,0,1,0,1,0|2,0,0]=4 16369 B15R1.528 CCCCOCCNCCc1ccco1 2230a_100000694680_100000743108 [0,0,1,0,1,0|2,0,0]=4 16370 B15R1.528 CCCCOCCNCCc1ccco1 34a_100000694680_100000743108 [0,0,1,0,1,0|2,0,0]=4 16371 B15R1.528 CCCCOCCNCCc1cccs1 2230a_100000203755_100000743108 [0,0,1,0,1,0|2,0,0]=4 16372 B15R1.528 CCCCOCCNCCc1cccs1 34a_100000203755_100000743108 [0,0,1,0,1,0|2,0,0]=4 16373 B15R1.528 CCCCOCCNCCc1ccsc1 2230a_100000692642_100000743108 [0,0,1,0,1,0|2,0,0]=4 16374 B15R1.528 CCCCOCCNCCc1ccsc1 34a_100000692642_100000743108 [0,0,1,0,1,0|2,0,0]=4 16375 B15R1.528 CCCCOCCNCCn1cccc1 34a_100011368172_100000743108 [0,0,1,0,1,0|2,0,0]=4 16376 B15R1.528 CCCCSCCNCCc1cccs1 2230a_100025743550_100000748579 [0,0,1,0,1,0|2,0,0]=4 16377 B15R1.528 CCCCSCCNCCn1cccc1 2230a_100025743550_200009811947 [0,0,1,0,1,0|2,0,0]=4 16378 B15R1.528 CCCOCCCNCCc1cccs1 2230a_100011217757_100000748579 [0,0,1,0,1,0|2,0,0]=4 16379 B15R1.528 CCCOCCCNCCc1cccs1 34a_100011217757_100000748579 [0,0,1,0,1,0|2,0,0]=4 16380 B15R1.528 CCCOCCCNCCn1cccc1 2230a_100011217757_200009811947 [0,0,1,0,1,0|2,0,0]=4 16381 B15R1.528 COCCCCCNCCc1cccs1 2230a_100000747528_100000748579 [0,0,1,0,1,0|2,0,0]=4 16382 B15R1.528 COCCCCCNCCc1cccs1 34a_100000747528_100000748579 [0,0,1,0,1,0|2,0,0]=4 16383 B15R1.528 COCCCCCNCCn1cccc1 2230a_100000747528_200009811947 [0,0,1,0,1,0|2,0,0]=4 16384 B15R1.528 FCCCCCCNCCc1ccco1 2230a_100000694680_100015922095 [0,0,1,0,1,0|2,0,0]=4 16385 B15R1.528 FCCCCCCNCCc1ccco1 34a_100000694680_100015922095 [0,0,1,0,1,0|2,0,0]=4 16386 B15R1.528 FCCCCCCNCCc1cccs1 2230a_100000203755_100015922095 [0,0,1,0,1,0|2,0,0]=4 16387 B15R1.528 FCCCCCCNCCc1cccs1 34a_100000203755_100015922095 [0,0,1,0,1,0|2,0,0]=4 16388 B15R1.528 FCCCCCCNCCc1ccsc1 2230a_100000692642_100015922095 [0,0,1,0,1,0|2,0,0]=4 16389 B15R1.528 FCCCCCCNCCc1ccsc1 34a_100000692642_100015922095 [0,0,1,0,1,0|2,0,0]=4 16390 B15R1.528 FCCCCCCNCCn1cccc1 34a_100011368172_100015922095 [0,0,1,0,1,0|2,0,0]=4 16391 B15R1.528 OCCCCCCNCCc1ccco1 2230a_100000694680_100000766143 [0,0,1,0,1,0|2,0,0]=4 16392 B15R1.528 OCCCCCCNCCc1ccco1 34a_100000694680_100000766143 [0,0,1,0,1,0|2,0,0]=4 16393 B15R1.528 OCCCCCCNCCc1cccs1 2230a_100000203755_100000766143 [0,0,1,0,1,0|2,0,0]=4 16394 B15R1.528 OCCCCCCNCCc1cccs1 2230a_100000686447_100000748579 [0,0,1,0,1,0|2,0,0]=4 16395 B15R1.528 OCCCCCCNCCc1cccs1 34a_100000203755_100000766143 [0,0,1,0,1,0|2,0,0]=4 16396 B15R1.528 OCCCCCCNCCc1cccs1 34a_100000686447_100000748579 [0,0,1,0,1,0|2,0,0]=4 16397 B15R1.528 OCCCCCCNCCc1ccsc1 2230a_100000692642_100000766143 [0,0,1,0,1,0|2,0,0]=4 16398 B15R1.528 OCCCCCCNCCc1ccsc1 34a_100000692642_100000766143 [0,0,1,0,1,0|2,0,0]=4 16399 B15R1.528 OCCCCCCNCCn1cccc1 2230a_100000686447_200009811947 [0,0,1,0,1,0|2,0,0]=4 16400 B15R1.528 OCCCCCCNCCn1cccc1 34a_100011368172_100000766143 [0,0,1,0,1,0|2,0,0]=4 16401 B15R1.78 CC(CCCC#N)NCc1ccccc1 270004a_100015324214_200000032708 [0,0,1,0,1,0|1,0,1]=4 16402 B15R1.78 CC(CCc1ccccc1)NCCCF 2230a_100000210798_100011934791 [0,0,1,0,1,0|2,0,0]=4 16403 B15R1.78 CC(CCc1ccccc1)NCCCF 270004a_100015189416_100000210092 [0,0,1,0,1,0|2,0,0]=4 16404 B15R1.78 CC(CCc1ccccc1)NCCCF 34a_100000210798_100011934791 [0,0,1,0,1,0|2,0,0]=4 16405 B15R1.78 CC(CCc1ccccc1)NCCCO 2230a_100000210798_100000230001 [0,0,1,0,1,0|2,0,0]=4 16406 B15R1.78 CC(CCc1ccccc1)NCCCO 270004a_100000182051_100000210092 [0,0,1,0,1,0|2,0,0]=4 16407 B15R1.78 CC(CCc1ccccc1)NCCCO 34a_100000210798_100000230001 [0,0,1,0,1,0|2,0,0]=4 16408 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210326 [0,0,1,0,1,0|1,0,1]=4 16409 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000212188_100000765856 [0,0,1,0,1,0|1,0,1]=4 16410 B15R1.78 CCCCCC(=O)NCc1ccccc1 11a_100015324214_100000212188 [0,0,1,0,1,0|1,0,1]=4 16411 B15R1.78 CCCCCC(=O)NCc1ccccc1 1626a_100015324214_100000212188 [0,0,1,0,1,0|1,0,1]=4 16412 B15R1.78 CCCCCC(=O)NCc1ccccc1 240690a_100015324214_100000212188 [0,0,1,0,1,0|1,0,1]=4 16413 B15R1.78 CCCCCC(=O)NCc1ccccc1 527a_100015324214_100000212188 [0,0,1,0,1,0|1,0,1]=4 16414 B15R1.78 CCCCCC(C)NCc1ccccc1 207a_100000211957_100015611070 [0,0,1,0,1,0|0,0,0]=2 16415 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100000211957_100015291786 [0,0,1,0,1,0|0,0,0]=2 16416 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100015324214_200011218191 [0,0,1,0,1,0|0,0,0]=2 16417 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100000211957_100015611070 [0,0,1,0,1,0|0,0,0]=2 16418 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100015324214_100000211708 [0,0,1,0,1,0|0,0,0]=2 16419 B15R1.78 CCCCCC(C)NCc1ccccc1 34a_100015324214_200011218191 [0,0,1,0,1,0|0,0,0]=2 16420 B15R1.78 CCCCCC(C)NCc1ccccn1 207a_100000211957_100000209966 [0,0,1,0,1,0|1,0,0]=3 16421 B15R1.78 CCCCCC(C)NCc1ccccn1 2230a_100000211957_100000721315 [0,0,1,0,1,0|1,0,0]=3 16422 B15R1.78 CCCCCC(C)NCc1ccccn1 270004a_100000210449_100000211708 [0,0,1,0,1,0|1,0,0]=3 16423 B15R1.78 CCCCCC(C)NCc1ccccn1 270004a_100000211957_100000209966 [0,0,1,0,1,0|1,0,0]=3 16424 B15R1.78 CCCCCC(C)NCc1cccnc1 207a_100000211957_100000209961 [0,0,1,0,1,0|1,0,0]=3 16425 B15R1.78 CCCCCC(C)NCc1cccnc1 2230a_100000211957_100000741622 [0,0,1,0,1,0|1,0,0]=3 16426 B15R1.78 CCCCCC(C)NCc1cccnc1 270004a_100000210453_100000211708 [0,0,1,0,1,0|1,0,0]=3 16427 B15R1.78 CCCCCC(C)NCc1cccnc1 270004a_100000211957_100000209961 [0,0,1,0,1,0|1,0,0]=3 16428 B15R1.78 CCCCCC(C)NCc1cccnn1 2230a_100000211957_100016990269 [0,0,1,0,1,0|2,0,0]=4 16429 B15R1.78 CCCCCC(C)NCc1cccnn1 2230a_100159270163_200011218191 [0,0,1,0,1,0|2,0,0]=4 16430 B15R1.78 CCCCCC(C)NCc1ccncc1 207a_100000211957_100000186114 [0,0,1,0,1,0|1,0,0]=3 16431 B15R1.78 CCCCCC(C)NCc1ccncc1 2230a_100000211957_100015193705 [0,0,1,0,1,0|1,0,0]=3 16432 B15R1.78 CCCCCC(C)NCc1ccnnc1 270004a_100000211957_100011934578 [0,0,1,0,1,0|2,0,0]=4 16433 B15R1.78 CCCCCC(C)NCc1cnccn1 2230a_100000211957_100016995436 [0,0,1,0,1,0|2,0,0]=4 16434 B15R1.78 CCCCCC(C)NCc1cnccn1 270004a_100000211957_100000749867 [0,0,1,0,1,0|2,0,0]=4 16435 B15R1.78 CCCCCC(C)NCc1cncnc1 2230a_100000211957_100015196519 [0,0,1,0,1,0|2,0,0]=4 16436 B15R1.78 CCCCCC(C)NCc1cncnc1 2230a_100011243677_200011218191 [0,0,1,0,1,0|2,0,0]=4 16437 B15R1.78 CCCCCC(C)NCc1cncnc1 270004a_100000211957_100000749868 [0,0,1,0,1,0|2,0,0]=4 16438 B15R1.78 CCCCCC(C)NCc1cncnc1 270004a_100011243677_100000211708 [0,0,1,0,1,0|2,0,0]=4 16439 B15R1.78 CCCCCC(C)NCc1ncccn1 2230a_100000211957_100000703007 [0,0,1,0,1,0|2,0,0]=4 16440 B15R1.78 CCCCCC(C)NCc1ncccn1 270004a_100000211957_100011532527 [0,0,1,0,1,0|2,0,0]=4 16441 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100000210790_200011218191 [0,0,1,0,1,0|1,0,0]=3 16442 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100011215632_100015291786 [0,0,1,0,1,0|1,0,0]=3 16443 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100000210790_200011218191 [0,0,1,0,1,0|1,0,0]=3 16444 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100011215632_100000211182 [0,0,1,0,1,0|1,0,0]=3 16445 B15R1.78 CCCCCC(C)OCc1ccccn1 34a_100011215632_100000721315 [0,0,1,0,1,0|2,0,0]=4 16446 B15R1.78 CCCCCC(C)OCc1ccccn1 7a_100011215632_100000721315 [0,0,1,0,1,0|2,0,0]=4 16447 B15R1.78 CCCCCC(C)OCc1cccnc1 34a_100011215632_100000733263 [0,0,1,0,1,0|2,0,0]=4 16448 B15R1.78 CCCCCC(C)OCc1cccnc1 7a_100011215632_100000741622 [0,0,1,0,1,0|2,0,0]=4 16449 B15R1.78 CCCCCC(C)OCc1ccncc1 7a_100011215632_100015193705 [0,0,1,0,1,0|2,0,0]=4 16450 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_100000211182_200011218191 [0,0,1,0,1,0|1,0,0]=3 16451 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_200011218191_100015291786 [0,0,1,0,1,0|1,0,0]=3 16452 B15R1.78 CCCCCC(C)SCc1ccccn1 62a_100000721315_200011218191 [0,0,1,0,1,0|2,0,0]=4 16453 B15R1.78 CCCCCC(C)SCc1ccccn1 62a_200011218191_100000721315 [0,0,1,0,1,0|2,0,0]=4 16454 B15R1.78 CCCCCC(C)SCc1cccnc1 62a_100000741622_200011218191 [0,0,1,0,1,0|2,0,0]=4 16455 B15R1.78 CCCCCC(C)SCc1cccnc1 62a_200011218191_100000741622 [0,0,1,0,1,0|2,0,0]=4 16456 B15R1.78 CCCCCC(C)SCc1ccncc1 62a_100015193705_200011218191 [0,0,1,0,1,0|2,0,0]=4 16457 B15R1.78 CCCCCC(C)SCc1ccncc1 62a_200011218191_100015193705 [0,0,1,0,1,0|2,0,0]=4 16458 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000207497_100000210326 [0,0,1,0,1,0|1,0,0]=3 16459 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000223495_100000765856 [0,0,1,0,1,0|1,0,0]=3 16460 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000207497_100000210215 [0,0,1,0,1,0|1,0,0]=3 16461 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000223495_100000765856 [0,0,1,0,1,0|1,0,0]=3 16462 B15R1.78 CCCCCN(C)CCc1ccccn1 2230a_100000223495_100015183660 [0,0,1,0,1,0|2,0,0]=4 16463 B15R1.78 CCCCCN(C)CCc1ccccn1 2230a_100000737206_100000210326 [0,0,1,0,1,0|2,0,0]=4 16464 B15R1.78 CCCCCN(C)CCc1ccccn1 269982a_100000223495_100015183660 [0,0,1,0,1,0|2,0,0]=4 16465 B15R1.78 CCCCCN(C)CCc1ccccn1 269982a_100000737206_100000210215 [0,0,1,0,1,0|2,0,0]=4 16466 B15R1.78 CCCCCN(C)CCc1cccnc1 2230a_100000223495_200011713674 [0,0,1,0,1,0|2,0,0]=4 16467 B15R1.78 CCCCCN(C)CCc1cccnc1 2230a_100000763209_100000210326 [0,0,1,0,1,0|2,0,0]=4 16468 B15R1.78 CCCCCN(C)CCc1cccnc1 269982a_100000223495_200011713674 [0,0,1,0,1,0|2,0,0]=4 16469 B15R1.78 CCCCCN(C)CCc1cccnc1 269982a_100000763209_100000210215 [0,0,1,0,1,0|2,0,0]=4 16470 B15R1.78 CCCCCN(C)CCc1ccncc1 2230a_100000223495_100000723409 [0,0,1,0,1,0|2,0,0]=4 16471 B15R1.78 CCCCCN(C)CCc1ccncc1 2230a_100000742850_100000210326 [0,0,1,0,1,0|2,0,0]=4 16472 B15R1.78 CCCCCN(C)CCc1ccncc1 269982a_100000223495_100000723409 [0,0,1,0,1,0|2,0,0]=4 16473 B15R1.78 CCCCCN(C)CCc1ccncc1 269982a_100000742850_100000210215 [0,0,1,0,1,0|2,0,0]=4 16474 B15R1.78 CCCCCN(C)CSc1ccccc1 2230a_100000223495_100011218342 [0,0,1,0,1,0|2,0,0]=4 16475 B15R1.78 CCCCCN(C)CSc1ccccc1 269982a_100000223495_100011218342 [0,0,1,0,1,0|2,0,0]=4 16476 B15R1.78 CCCCNC(C)CCc1ccccc1 2230a_100000210798_100000210211 [0,0,1,0,1,0|1,0,0]=3 16477 B15R1.78 CCCCNC(C)CCc1ccccc1 270004a_100000102301_100000210092 [0,0,1,0,1,0|1,0,0]=3 16478 B15R1.78 CCCCNC(C)CCc1ccccc1 34a_100000210798_100000210210 [0,0,1,0,1,0|1,0,0]=3 16479 B15R1.78 CCCCNC(C)COc1ccccc1 2230a_100000746794_100000210211 [0,0,1,0,1,0|2,0,0]=4 16480 B15R1.78 CCCCNC(C)COc1ccccc1 270004a_100000102301_100000150576 [0,0,1,0,1,0|2,0,0]=4 16481 B15R1.78 CCCCNC(C)COc1ccccc1 34a_100000746794_100000210210 [0,0,1,0,1,0|2,0,0]=4 16482 B15R1.78 CCCCNC(C)CSc1ccccc1 270004a_100000102301_100000150717 [0,0,1,0,1,0|2,0,0]=4 16483 B15R1.78 CCCCOC(C)COc1ccccc1 34a_100000210911_100000210210 [0,0,1,0,1,0|2,0,0]=4 16484 B15R1.78 CCCCOC(C)COc1ccccc1 7a_100000210911_100000210211 [0,0,1,0,1,0|2,0,0]=4 16485 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210210 [0,0,1,0,1,0|1,0,0]=3 16486 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210211 [0,0,1,0,1,0|1,0,0]=3 16487 B15R1.78 CCCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000210303 [0,0,1,0,1,0|1,0,0]=3 16488 B15R1.78 CCCSCC(C)NCc1ccccc1 270004a_100015324214_100011343953 [0,0,1,0,1,0|1,0,0]=3 16489 B15R1.78 CCCSCC(C)NCc1ccccn1 270004a_100000210449_100011343953 [0,0,1,0,1,0|2,0,0]=4 16490 B15R1.78 CCCSCC(C)NCc1cccnc1 270004a_100000210453_100011343953 [0,0,1,0,1,0|2,0,0]=4 16491 B15R1.78 CCNCCC(C)CCc1ccccc1 269862a_100015525214_200000075208 [0,0,1,0,1,0|1,0,0]=3 16492 B15R1.78 CCOCCC(C)NCc1ccccc1 270004a_100015324214_200011216536 [0,0,1,0,1,0|1,0,0]=3 16493 B15R1.78 CCOCCC(C)NCc1ccccn1 270004a_100000210449_200011216536 [0,0,1,0,1,0|2,0,0]=4 16494 B15R1.78 CCOCCC(C)NCc1cccnc1 270004a_100000210453_200011216536 [0,0,1,0,1,0|2,0,0]=4 16495 B15R1.78 CCOCCN(C)CCc1ccccc1 2230a_100000207497_100011215890 [0,0,1,0,1,0|2,0,0]=4 16496 B15R1.78 CCOCCN(C)CCc1ccccc1 269982a_100000207497_100011215890 [0,0,1,0,1,0|2,0,0]=4 16497 B15R1.78 CCSCCN(C)CCc1ccccc1 2230a_100000207497_100000757381 [0,0,1,0,1,0|2,0,0]=4 16498 B15R1.78 CCSCCN(C)CCc1ccccc1 269982a_100000207497_100000757381 [0,0,1,0,1,0|2,0,0]=4 16499 B15R1.78 CN(CCCCF)CCc1ccccc1 2230a_100000207497_100000729493 [0,0,1,0,1,0|2,0,0]=4 16500 B15R1.78 CN(CCCCF)CCc1ccccc1 269982a_100000207497_100000729493 [0,0,1,0,1,0|2,0,0]=4 16501 B15R1.78 CN(CCCCO)CCc1ccccc1 2230a_100000207497_100000210776 [0,0,1,0,1,0|2,0,0]=4 16502 B15R1.78 CN(CCCCO)CCc1ccccc1 2230a_100000717598_100000765856 [0,0,1,0,1,0|2,0,0]=4 16503 B15R1.78 CN(CCCCO)CCc1ccccc1 269982a_100000207497_100000210776 [0,0,1,0,1,0|2,0,0]=4 16504 B15R1.78 CN(CCCCO)CCc1ccccc1 269982a_100000717598_100000765856 [0,0,1,0,1,0|2,0,0]=4 16505 B15R1.78 COCCCC(C)OCc1ccccc1 34a_200011539412_100015291786 [0,0,1,0,1,0|2,0,0]=4 16506 B15R1.78 COCCCC(C)OCc1ccccc1 7a_200011539412_100000211182 [0,0,1,0,1,0|2,0,0]=4 16507 B15R1.78 COCCCN(C)CCc1ccccc1 2230a_100000207497_100000740836 [0,0,1,0,1,0|2,0,0]=4 16508 B15R1.78 COCCCN(C)CCc1ccccc1 2230a_100000224831_100000765856 [0,0,1,0,1,0|2,0,0]=4 16509 B15R1.78 COCCCN(C)CCc1ccccc1 269982a_100000207497_100000740836 [0,0,1,0,1,0|2,0,0]=4 16510 B15R1.78 COCCCN(C)CCc1ccccc1 269982a_100000224831_100000765856 [0,0,1,0,1,0|2,0,0]=4 16511 B15R1.78 COCCNC(C)CCc1ccccc1 2230a_100000210798_100011201679 [0,0,1,0,1,0|2,0,0]=4 16512 B15R1.78 COCCNC(C)CCc1ccccc1 270004a_100000209980_100000210092 [0,0,1,0,1,0|2,0,0]=4 16513 B15R1.78 COCCNC(C)CCc1ccccc1 34a_100000210798_100011201679 [0,0,1,0,1,0|2,0,0]=4 16514 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100011201679 [0,0,1,0,1,0|2,0,0]=4 16515 B15R1.78 COCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000233755 [0,0,1,0,1,0|2,0,0]=4 16516 B15R1.78 CSCCCC(C)NCc1ccccc1 270004a_100015324214_100011399439 [0,0,1,0,1,0|1,0,0]=3 16517 B15R1.78 CSCCCC(C)NCc1ccccn1 270004a_100000210449_100011399439 [0,0,1,0,1,0|2,0,0]=4 16518 B15R1.78 CSCCCC(C)NCc1cccnc1 270004a_100000210453_100011399439 [0,0,1,0,1,0|2,0,0]=4 16519 B15R1.78 CSCCNC(C)CCc1ccccc1 2230a_100000210798_100000751147 [0,0,1,0,1,0|2,0,0]=4 16520 B15R1.78 CSCCNC(C)CCc1ccccc1 270004a_100020590264_100000210092 [0,0,1,0,1,0|2,0,0]=4 16521 B15R1.78 CSCCNC(C)CCc1ccccc1 34a_100000210798_100000212216 [0,0,1,0,1,0|2,0,0]=4 16522 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000212216 [0,0,1,0,1,0|2,0,0]=4 16523 B15R1.78 CSCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000212216 [0,0,1,0,1,0|2,0,0]=4 16524 B15R1.78 CSCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100011218213 [0,0,1,0,1,0|2,0,0]=4 16525 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 34a_100009815974_100011934791 [0,0,1,0,1,0|2,0,0]=4 16526 B15R1.78 C[C@@H](CCc1ccccc1)OCCCF 7a_100009815974_100011934791 [0,0,1,0,1,0|2,0,0]=4 16527 B15R1.78 C[C@@H](CCc1ccccc1)OCCCO 34a_100009815974_100000230001 [0,0,1,0,1,0|2,0,0]=4 16528 B15R1.78 C[C@@H](CCc1ccccc1)OCCCO 7a_100009815974_100011215043 [0,0,1,0,1,0|2,0,0]=4 16529 B15R1.78 C[C@H](COCCF)NCc1ccccc1 34a_100000762708_100011217306 [0,0,1,0,1,0|2,0,0]=4 16530 B15R1.78 C[C@H](COCCO)NCc1ccccc1 34a_100000762708_100000211926 [0,0,1,0,1,0|2,0,0]=4 16531 B15R1.1376 CCCCCC(C)NCCc1c[nH]cn1 2230a_100000211957_100020628418 [0,0,1,0,1,0|2,0,0]=4 16532 B15R1.1376 CCCCCC(C)NCCc1c[nH]cn1 270004a_100000755092_100000211708 [0,0,1,0,1,0|2,0,0]=4 16533 B15R1.1376 CCCCCC(C)NCCc1ccco1 2230a_100000694680_200011218191 [0,0,1,0,1,0|1,0,0]=3 16534 B15R1.1376 CCCCCC(C)NCCc1ccco1 270004a_100000694680_100000211708 [0,0,1,0,1,0|1,0,0]=3 16535 B15R1.1376 CCCCCC(C)NCCc1ccco1 34a_100000694680_200011218191 [0,0,1,0,1,0|1,0,0]=3 16536 B15R1.1376 CCCCCC(C)NCCc1cccs1 2230a_100000203755_200011218191 [0,0,1,0,1,0|1,0,0]=3 16537 B15R1.1376 CCCCCC(C)NCCc1cccs1 2230a_100000211957_100000748579 [0,0,1,0,1,0|1,0,0]=3 16538 B15R1.1376 CCCCCC(C)NCCc1cccs1 270004a_100000203755_100000211708 [0,0,1,0,1,0|1,0,0]=3 16539 B15R1.1376 CCCCCC(C)NCCc1cccs1 34a_100000203755_200011218191 [0,0,1,0,1,0|1,0,0]=3 16540 B15R1.1376 CCCCCC(C)NCCc1ccsc1 2230a_100000692642_200011218191 [0,0,1,0,1,0|1,0,0]=3 16541 B15R1.1376 CCCCCC(C)NCCc1ccsc1 270004a_100000692642_100000211708 [0,0,1,0,1,0|1,0,0]=3 16542 B15R1.1376 CCCCCC(C)NCCc1ccsc1 34a_100000692642_200011218191 [0,0,1,0,1,0|1,0,0]=3 16543 B15R1.1376 CCCCCC(C)NCCc1cn[nH]c1 2230a_100000211957_100000743252 [0,0,1,0,1,0|2,0,0]=4 16544 B15R1.1376 CCCCCC(C)NCCc1cn[nH]c1 2230a_100000732747_200011218191 [0,0,1,0,1,0|2,0,0]=4 16545 B15R1.1376 CCCCCC(C)NCCc1cn[nH]c1 270004a_100000732747_100000211708 [0,0,1,0,1,0|2,0,0]=4 16546 B15R1.1376 CCCCCC(C)NCCc1cncs1 2230a_100016991637_200011218191 [0,0,1,0,1,0|2,0,0]=4 16547 B15R1.1376 CCCCCC(C)NCCc1cncs1 270004a_100016991637_100000211708 [0,0,1,0,1,0|2,0,0]=4 16548 B15R1.1376 CCCCCC(C)NCCc1ncc[nH]1 270004a_100000754300_100000211708 [0,0,1,0,1,0|2,0,0]=4 16549 B15R1.1376 CCCCCC(C)NCCc1nccs1 2230a_100015186391_200011218191 [0,0,1,0,1,0|2,0,0]=4 16550 B15R1.1376 CCCCCC(C)NCCc1nccs1 270004a_100015186391_100000211708 [0,0,1,0,1,0|2,0,0]=4 16551 B15R1.1376 CCCCCC(C)NCCn1cccc1 2230a_100000211957_200009811947 [0,0,1,0,1,0|1,0,0]=3 16552 B15R1.1376 CCCCCC(C)NCCn1cccc1 270004a_100011368172_100000211708 [0,0,1,0,1,0|1,0,0]=3 16553 B15R1.1376 CCCCCC(C)NCCn1cccc1 34a_100011368172_200011218191 [0,0,1,0,1,0|1,0,0]=3 16554 B15R1.1376 CCCCCC(C)NCCn1cccn1 2230a_100000211957_100000685285 [0,0,1,0,1,0|2,0,0]=4 16555 B15R1.1376 CCCCCC(C)NCCn1cccn1 2230a_100011200920_200011218191 [0,0,1,0,1,0|2,0,0]=4 16556 B15R1.1376 CCCCCC(C)NCCn1cccn1 270004a_100011200920_100000211708 [0,0,1,0,1,0|2,0,0]=4 16557 B15R1.1376 CCCCCC(C)NCCn1ccnc1 270004a_100000230061_100000211708 [0,0,1,0,1,0|2,0,0]=4 16558 B15R1.1376 CCCCCC(C)OCCc1cccs1 34a_100011215632_100000748579 [0,0,1,0,1,0|2,0,0]=4 16559 B15R1.1376 CCCCCC(C)OCCc1cccs1 34a_100011216825_200011218191 [0,0,1,0,1,0|2,0,0]=4 16560 B15R1.1376 CCCCCC(C)OCCc1cccs1 7a_100011215632_100000748579 [0,0,1,0,1,0|2,0,0]=4 16561 B15R1.1376 CCCCCC(C)OCCc1cccs1 7a_100011216825_200011218191 [0,0,1,0,1,0|2,0,0]=4 16562 B15R1.1376 CCCCCC(C)OCCc1ccsc1 34a_100000748821_200011218191 [0,0,1,0,1,0|2,0,0]=4 16563 B15R1.1376 CCCCCC(C)OCCn1cccc1 34a_100000179382_200011218191 [0,0,1,0,1,0|2,0,0]=4 16564 B15R1.1376 CCCCCC(C)OCCn1cccc1 7a_100011215632_200000035178 [0,0,1,0,1,0|2,0,0]=4 16565 B15R1.1376 CCCCCC(C)SCCc1cccs1 62a_100000748579_200011218191 [0,0,1,0,1,0|2,0,0]=4 16566 B15R1.1376 CCCCCC(C)SCCc1cccs1 62a_200011218191_100000748579 [0,0,1,0,1,0|2,0,0]=4 16567 B15R1.1376 CCCCCC(C)SCCn1cccc1 62a_200009811947_200011218191 [0,0,1,0,1,0|2,0,0]=4 16568 B15R1.1376 CCCCCC(C)SCCn1cccc1 62a_200011218191_200000035178 [0,0,1,0,1,0|2,0,0]=4 16569 B15R1.1376 CCCSCC(C)NCCc1ccco1 270004a_100000694680_100011343953 [0,0,1,0,1,0|2,0,0]=4 16570 B15R1.1376 CCCSCC(C)NCCc1cccs1 270004a_100000203755_100011343953 [0,0,1,0,1,0|2,0,0]=4 16571 B15R1.1376 CCCSCC(C)NCCc1ccsc1 270004a_100000692642_100011343953 [0,0,1,0,1,0|2,0,0]=4 16572 B15R1.1376 CCCSCC(C)NCCn1cccc1 270004a_100011368172_100011343953 [0,0,1,0,1,0|2,0,0]=4 16573 B15R1.1376 CCOCCC(C)NCCc1ccco1 270004a_100000694680_200011216536 [0,0,1,0,1,0|2,0,0]=4 16574 B15R1.1376 CCOCCC(C)NCCc1cccs1 270004a_100000203755_200011216536 [0,0,1,0,1,0|2,0,0]=4 16575 B15R1.1376 CCOCCC(C)NCCc1ccsc1 270004a_100000692642_200011216536 [0,0,1,0,1,0|2,0,0]=4 16576 B15R1.1376 CCOCCC(C)NCCn1cccc1 270004a_100011368172_200011216536 [0,0,1,0,1,0|2,0,0]=4 16577 B15R1.1376 CSCCCC(C)NCCc1ccco1 270004a_100000694680_100011399439 [0,0,1,0,1,0|2,0,0]=4 16578 B15R1.1376 CSCCCC(C)NCCc1cccs1 270004a_100000203755_100011399439 [0,0,1,0,1,0|2,0,0]=4 16579 B15R1.1376 CSCCCC(C)NCCc1ccsc1 270004a_100000692642_100011399439 [0,0,1,0,1,0|2,0,0]=4 16580 B15R1.1376 CSCCCC(C)NCCn1cccc1 270004a_100011368172_100011399439 [0,0,1,0,1,0|2,0,0]=4 16581 B15R1.3919 CCCCC(CC)NCCc1c[nH]cn1 270004a_100000755092_100000753412 [0,0,1,0,1,0|2,0,0]=4 16582 B15R1.3919 CCCCC(CC)NCCc1ccco1 270004a_100000694680_100000753412 [0,0,1,0,1,0|1,0,0]=3 16583 B15R1.3919 CCCCC(CC)NCCc1ccco1 34a_100000694680_200011216223 [0,0,1,0,1,0|1,0,0]=3 16584 B15R1.3919 CCCCC(CC)NCCc1cccs1 270004a_100000203755_100000753412 [0,0,1,0,1,0|1,0,0]=3 16585 B15R1.3919 CCCCC(CC)NCCc1cccs1 34a_100000203755_200011216223 [0,0,1,0,1,0|1,0,0]=3 16586 B15R1.3919 CCCCC(CC)NCCc1ccsc1 270004a_100000692642_100000753412 [0,0,1,0,1,0|1,0,0]=3 16587 B15R1.3919 CCCCC(CC)NCCc1ccsc1 34a_100000692642_200011216223 [0,0,1,0,1,0|1,0,0]=3 16588 B15R1.3919 CCCCC(CC)NCCc1cn[nH]c1 270004a_100000732747_100000753412 [0,0,1,0,1,0|2,0,0]=4 16589 B15R1.3919 CCCCC(CC)NCCc1cncs1 270004a_100016991637_100000753412 [0,0,1,0,1,0|2,0,0]=4 16590 B15R1.3919 CCCCC(CC)NCCc1ncc[nH]1 270004a_100000754300_100000753412 [0,0,1,0,1,0|2,0,0]=4 16591 B15R1.3919 CCCCC(CC)NCCc1nccs1 270004a_100015186391_100000753412 [0,0,1,0,1,0|2,0,0]=4 16592 B15R1.3919 CCCCC(CC)NCCn1cccc1 270004a_100011368172_100000753412 [0,0,1,0,1,0|1,0,0]=3 16593 B15R1.3919 CCCCC(CC)NCCn1cccc1 34a_100011368172_200011216223 [0,0,1,0,1,0|1,0,0]=3 16594 B15R1.3919 CCCCC(CC)NCCn1cccn1 270004a_100011200920_100000753412 [0,0,1,0,1,0|2,0,0]=4 16595 B15R1.3919 CCCCC(CC)NCCn1ccnc1 270004a_100000230061_100000753412 [0,0,1,0,1,0|2,0,0]=4 16596 B15R1.3919 CCCCC(CC)OCCc1cccs1 34a_100011215227_100000748579 [0,0,1,0,1,0|2,0,0]=4 16597 B15R1.3919 CCCCC(CC)OCCc1cccs1 34a_100011216825_200011216223 [0,0,1,0,1,0|2,0,0]=4 16598 B15R1.3919 CCCCC(CC)OCCc1cccs1 7a_100011215227_100000748579 [0,0,1,0,1,0|2,0,0]=4 16599 B15R1.3919 CCCCC(CC)OCCc1cccs1 7a_100011216825_200011216223 [0,0,1,0,1,0|2,0,0]=4 16600 B15R1.3919 CCCCC(CC)OCCc1ccsc1 34a_100000748821_200011216223 [0,0,1,0,1,0|2,0,0]=4 16601 B15R1.3919 CCCCC(CC)OCCn1cccc1 34a_100000179382_200011216223 [0,0,1,0,1,0|2,0,0]=4 16602 B15R1.3919 CCCCC(CC)OCCn1cccc1 7a_100011215227_200000035178 [0,0,1,0,1,0|2,0,0]=4 16603 B15R1.3919 CCCCC(CC)SCCc1cccs1 62a_100000748579_200011216223 [0,0,1,0,1,0|2,0,0]=4 16604 B15R1.3919 CCCCC(CC)SCCc1cccs1 62a_200011216223_100000748579 [0,0,1,0,1,0|2,0,0]=4 16605 B15R1.3919 CCCCC(CC)SCCn1cccc1 62a_200009811947_200011216223 [0,0,1,0,1,0|2,0,0]=4 16606 B15R1.3919 CCCCC(CC)SCCn1cccc1 62a_200011216223_200000035178 [0,0,1,0,1,0|2,0,0]=4 16607 B15R1.3919 CCCC[C@@H](CO)NCCc1cccs1 2230a_100011934283_100000748579 [0,0,1,0,1,0|2,0,0]=4 16608 B15R1.3919 CCCC[C@@H](CO)NCCc1cccs1 34a_100011934283_100000748579 [0,0,1,0,1,0|2,0,0]=4 16609 B15R1.3919 CCCC[C@@H](CO)NCCn1cccc1 2230a_100011934283_200009811947 [0,0,1,0,1,0|2,0,0]=4 16610 B15R1.3921 CCC(CCc1ccccc1)NCCO 270004a_100000210304_100011279265 [0,0,1,0,1,0|2,0,0]=4 16611 B15R1.3921 CCC(COCF)NCc1ccccc1 34a_100000180821_100015361967 [0,0,1,0,1,0|2,0,0]=4 16612 B15R1.3921 CCCCC(CC)CNc1ccccc1 34a_100000106764_100000211942 [0,0,1,0,1,0|1,0,0]=3 16613 B15R1.3921 CCCCC(CC)COc1ccccc1 34a_100000210340_100000211942 [0,0,1,0,1,0|1,0,0]=3 16614 B15R1.3921 CCCCC(CC)COc1ccccc1 7a_100000210340_100000211942 [0,0,1,0,1,0|1,0,0]=3 16615 B15R1.3921 CCCCC(CC)COc1cccnc1 34a_100000210849_100000211942 [0,0,1,0,1,0|2,0,0]=4 16616 B15R1.3921 CCCCC(CC)COc1cccnc1 7a_100000210849_100000211942 [0,0,1,0,1,0|2,0,0]=4 16617 B15R1.3921 CCCCC(CC)COc1ccncc1 34a_100000212176_100000211942 [0,0,1,0,1,0|2,0,0]=4 16618 B15R1.3921 CCCCC(CC)CSc1ccccc1 62a_100000211942_100000041952 [0,0,1,0,1,0|1,0,0]=3 16619 B15R1.3921 CCCCC(CC)CSc1ccccc1 62a_100000719477_100000211942 [0,0,1,0,1,0|1,0,0]=3 16620 B15R1.3921 CCCCC(CC)CSc1ccccn1 62a_100000211942_100011216584 [0,0,1,0,1,0|2,0,0]=4 16621 B15R1.3921 CCCCC(CC)CSc1ccccn1 62a_100011216584_100000211942 [0,0,1,0,1,0|2,0,0]=4 16622 B15R1.3921 CCCCC(CC)CSc1cccnc1 62a_100000210063_100000211942 [0,0,1,0,1,0|2,0,0]=4 16623 B15R1.3921 CCCCC(CC)CSc1cccnc1 62a_100000211942_100000210063 [0,0,1,0,1,0|2,0,0]=4 16624 B15R1.3921 CCCCC(CC)CSc1ccncc1 62a_100000211942_100000728582 [0,0,1,0,1,0|2,0,0]=4 16625 B15R1.3921 CCCCC(CC)CSc1ccncc1 62a_100000728582_100000211942 [0,0,1,0,1,0|2,0,0]=4 16626 B15R1.3921 CCCCC(CC)NCc1ccccc1 270004a_100015324214_100000753412 [0,0,1,0,1,0|0,0,0]=2 16627 B15R1.3921 CCCCC(CC)NCc1ccccc1 34a_100015324214_200011216223 [0,0,1,0,1,0|0,0,0]=2 16628 B15R1.3921 CCCCC(CC)NCc1ccccn1 270004a_100000210449_100000753412 [0,0,1,0,1,0|1,0,0]=3 16629 B15R1.3921 CCCCC(CC)NCc1cccnc1 270004a_100000210453_100000753412 [0,0,1,0,1,0|1,0,0]=3 16630 B15R1.3921 CCCCC(CC)NCc1cncnc1 270004a_100011243677_100000753412 [0,0,1,0,1,0|2,0,0]=4 16631 B15R1.3921 CCCCC(CC)OCc1ccccc1 34a_100000210790_200011216223 [0,0,1,0,1,0|1,0,0]=3 16632 B15R1.3921 CCCCC(CC)OCc1ccccc1 34a_100011215227_100015291786 [0,0,1,0,1,0|1,0,0]=3 16633 B15R1.3921 CCCCC(CC)OCc1ccccc1 7a_100000210790_200011216223 [0,0,1,0,1,0|1,0,0]=3 16634 B15R1.3921 CCCCC(CC)OCc1ccccc1 7a_100011215227_100000211182 [0,0,1,0,1,0|1,0,0]=3 16635 B15R1.3921 CCCCC(CC)OCc1ccccn1 34a_100011215227_100000721315 [0,0,1,0,1,0|2,0,0]=4 16636 B15R1.3921 CCCCC(CC)OCc1ccccn1 7a_100011215227_100000721315 [0,0,1,0,1,0|2,0,0]=4 16637 B15R1.3921 CCCCC(CC)OCc1cccnc1 34a_100011215227_100000733263 [0,0,1,0,1,0|2,0,0]=4 16638 B15R1.3921 CCCCC(CC)OCc1cccnc1 7a_100011215227_100000741622 [0,0,1,0,1,0|2,0,0]=4 16639 B15R1.3921 CCCCC(CC)OCc1ccncc1 7a_100011215227_100015193705 [0,0,1,0,1,0|2,0,0]=4 16640 B15R1.3921 CCCCC(CC)SCc1ccccc1 62a_100000211182_200011216223 [0,0,1,0,1,0|1,0,0]=3 16641 B15R1.3921 CCCCC(CC)SCc1ccccc1 62a_200011216223_100015291786 [0,0,1,0,1,0|1,0,0]=3 16642 B15R1.3921 CCCCC(CC)SCc1ccccn1 62a_100000721315_200011216223 [0,0,1,0,1,0|2,0,0]=4 16643 B15R1.3921 CCCCC(CC)SCc1ccccn1 62a_200011216223_100000721315 [0,0,1,0,1,0|2,0,0]=4 16644 B15R1.3921 CCCCC(CC)SCc1cccnc1 62a_100000741622_200011216223 [0,0,1,0,1,0|2,0,0]=4 16645 B15R1.3921 CCCCC(CC)SCc1cccnc1 62a_200011216223_100000741622 [0,0,1,0,1,0|2,0,0]=4 16646 B15R1.3921 CCCCC(CC)SCc1ccncc1 62a_100015193705_200011216223 [0,0,1,0,1,0|2,0,0]=4 16647 B15R1.3921 CCCCC(CC)SCc1ccncc1 62a_200011216223_100015193705 [0,0,1,0,1,0|2,0,0]=4 16648 B15R1.3921 CCCCN(CC)CCc1ccccc1 2230a_100000207695_100000765856 [0,0,1,0,1,0|1,0,0]=3 16649 B15R1.3921 CCCCN(CC)CCc1ccccc1 2230a_100000741020_100000210211 [0,0,1,0,1,0|1,0,0]=3 16650 B15R1.3921 CCCCN(CC)CCc1ccccc1 269982a_100000207695_100000765856 [0,0,1,0,1,0|1,0,0]=3 16651 B15R1.3921 CCCCN(CC)CCc1ccccc1 269982a_100000741020_100000210211 [0,0,1,0,1,0|1,0,0]=3 16652 B15R1.3921 CCCCN(CC)CCc1ccccn1 2230a_100000207695_100015183660 [0,0,1,0,1,0|2,0,0]=4 16653 B15R1.3921 CCCCN(CC)CCc1ccccn1 2230a_100000227201_100000210211 [0,0,1,0,1,0|2,0,0]=4 16654 B15R1.3921 CCCCN(CC)CCc1ccccn1 269982a_100000207695_100015183660 [0,0,1,0,1,0|2,0,0]=4 16655 B15R1.3921 CCCCN(CC)CCc1ccccn1 269982a_100000227201_100000210211 [0,0,1,0,1,0|2,0,0]=4 16656 B15R1.3921 CCCCN(CC)CCc1cccnc1 2230a_100000207695_200011713674 [0,0,1,0,1,0|2,0,0]=4 16657 B15R1.3921 CCCCN(CC)CCc1cccnc1 269982a_100000207695_200011713674 [0,0,1,0,1,0|2,0,0]=4 16658 B15R1.3921 CCCCN(CC)CCc1ccncc1 2230a_100000207695_100000723409 [0,0,1,0,1,0|2,0,0]=4 16659 B15R1.3921 CCCCN(CC)CCc1ccncc1 269982a_100000207695_100000723409 [0,0,1,0,1,0|2,0,0]=4 16660 B15R1.3921 CCCCN(CC)CSc1ccccc1 2230a_100000207695_100011218342 [0,0,1,0,1,0|2,0,0]=4 16661 B15R1.3921 CCCCN(CC)CSc1ccccc1 269982a_100000207695_100011218342 [0,0,1,0,1,0|2,0,0]=4 16662 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 207a_100011934283_100015611070 [0,0,1,0,1,0|1,0,0]=3 16663 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 2230a_100011934283_100015291786 [0,0,1,0,1,0|1,0,0]=3 16664 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 270004a_100011934283_100015611070 [0,0,1,0,1,0|1,0,0]=3 16665 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 34a_100011934283_100015291786 [0,0,1,0,1,0|1,0,0]=3 16666 B15R1.3921 CCCC[C@@H](CO)NCc1ccccn1 207a_100011934283_100000209966 [0,0,1,0,1,0|2,0,0]=4 16667 B15R1.3921 CCCC[C@@H](CO)NCc1ccccn1 2230a_100011934283_100000721315 [0,0,1,0,1,0|2,0,0]=4 16668 B15R1.3921 CCCC[C@@H](CO)NCc1ccccn1 270004a_100011934283_100000209966 [0,0,1,0,1,0|2,0,0]=4 16669 B15R1.3921 CCCC[C@@H](CO)NCc1ccccn1 34a_100011934283_100000721315 [0,0,1,0,1,0|2,0,0]=4 16670 B15R1.3921 CCCC[C@@H](CO)NCc1cccnc1 207a_100011934283_100000209961 [0,0,1,0,1,0|2,0,0]=4 16671 B15R1.3921 CCCC[C@@H](CO)NCc1cccnc1 2230a_100011934283_100000741622 [0,0,1,0,1,0|2,0,0]=4 16672 B15R1.3921 CCCC[C@@H](CO)NCc1cccnc1 270004a_100011934283_100000209961 [0,0,1,0,1,0|2,0,0]=4 16673 B15R1.3921 CCCC[C@@H](CO)NCc1cccnc1 34a_100011934283_100000733263 [0,0,1,0,1,0|2,0,0]=4 16674 B15R1.3921 CCCC[C@@H](CO)NCc1ccncc1 207a_100011934283_100000186114 [0,0,1,0,1,0|2,0,0]=4 16675 B15R1.3921 CCCC[C@@H](CO)NCc1ccncc1 2230a_100011934283_100015193705 [0,0,1,0,1,0|2,0,0]=4 16676 B15R1.3921 CCCNC(CC)CCc1ccccc1 270004a_100020643023_100011279265 [0,0,1,0,1,0|1,0,0]=3 16677 B15R1.3921 CCN(CCCF)CCc1ccccc1 2230a_100000741020_100011934791 [0,0,1,0,1,0|2,0,0]=4 16678 B15R1.3921 CCN(CCCF)CCc1ccccc1 269982a_100000741020_100011934791 [0,0,1,0,1,0|2,0,0]=4 16679 B15R1.3921 CCN(CCCO)CCc1ccccc1 2230a_100000741020_100000230001 [0,0,1,0,1,0|2,0,0]=4 16680 B15R1.3921 CCN(CCCO)CCc1ccccc1 269982a_100000741020_100011215043 [0,0,1,0,1,0|2,0,0]=4 16681 B15R1.3921 CCN(CCOC)CCc1ccccc1 2230a_100000200122_100000210202 [0,0,1,0,1,0|2,0,0]=4 16682 B15R1.3921 CCN(CCOC)CCc1ccccc1 2230a_100000731262_100000765856 [0,0,1,0,1,0|2,0,0]=4 16683 B15R1.3921 CCN(CCOC)CCc1ccccc1 2230a_100000741020_100011201679 [0,0,1,0,1,0|2,0,0]=4 16684 B15R1.3921 CCN(CCOC)CCc1ccccc1 269982a_100000200122_100000204670 [0,0,1,0,1,0|2,0,0]=4 16685 B15R1.3921 CCN(CCOC)CCc1ccccc1 269982a_100000731262_100000765856 [0,0,1,0,1,0|2,0,0]=4 16686 B15R1.3921 CCN(CCOC)CCc1ccccc1 269982a_100000741020_100000233755 [0,0,1,0,1,0|2,0,0]=4 16687 B15R1.3921 CCN(CCOC)CCc1ccccc1 34a_100000200122_100000210202 [0,0,1,0,1,0|2,0,0]=4 16688 B15R1.3921 CCN(CCSC)CCc1ccccc1 2230a_100000741020_100000751147 [0,0,1,0,1,0|2,0,0]=4 16689 B15R1.3921 CCN(CCSC)CCc1ccccc1 269982a_100000741020_100000212216 [0,0,1,0,1,0|2,0,0]=4 16690 B15R1.3921 CCOCC(CC)NCc1ccccc1 34a_100000180821_100000210202 [0,0,1,0,1,0|1,0,0]=3 16691 B15R1.3921 CCOCN(CC)CCc1ccccc1 269982a_100000741020_100000739092 [0,0,1,0,1,0|2,0,0]=4 16692 B15R1.3921 CSCC[C@@H](CO)NCc1ccccc1 207a_100011827619_100015611070 [0,0,1,0,1,0|2,0,0]=4 16693 B15R1.3921 CSCC[C@@H](CO)NCc1ccccc1 2230a_100011827619_100015291786 [0,0,1,0,1,0|2,0,0]=4 16694 B15R1.3921 CSCC[C@@H](CO)NCc1ccccc1 270004a_100011827619_100015611070 [0,0,1,0,1,0|2,0,0]=4 16695 B15R1.3981 CCCC(CCC)NCCc1c[nH]cn1 2230a_100011207992_100020628418 [0,0,1,0,1,0|2,0,0]=4 16696 B15R1.3981 CCCC(CCC)NCCc1c[nH]cn1 270004a_100000755092_100000210088 [0,0,1,0,1,0|2,0,0]=4 16697 B15R1.3981 CCCC(CCC)NCCc1ccco1 270004a_100000694680_100000210088 [0,0,1,0,1,0|1,0,0]=3 16698 B15R1.3981 CCCC(CCC)NCCc1ccco1 34a_100000694680_200011218217 [0,0,1,0,1,0|1,0,0]=3 16699 B15R1.3981 CCCC(CCC)NCCc1cccs1 2230a_100011207992_100000748579 [0,0,1,0,1,0|1,0,0]=3 16700 B15R1.3981 CCCC(CCC)NCCc1cccs1 270004a_100000203755_100000210088 [0,0,1,0,1,0|1,0,0]=3 16701 B15R1.3981 CCCC(CCC)NCCc1cccs1 34a_100000203755_200011218217 [0,0,1,0,1,0|1,0,0]=3 16702 B15R1.3981 CCCC(CCC)NCCc1cccs1 34a_100011207992_100000748579 [0,0,1,0,1,0|1,0,0]=3 16703 B15R1.3981 CCCC(CCC)NCCc1ccsc1 270004a_100000692642_100000210088 [0,0,1,0,1,0|1,0,0]=3 16704 B15R1.3981 CCCC(CCC)NCCc1ccsc1 34a_100000692642_200011218217 [0,0,1,0,1,0|1,0,0]=3 16705 B15R1.3981 CCCC(CCC)NCCc1cn[nH]c1 2230a_100011207992_100000743252 [0,0,1,0,1,0|2,0,0]=4 16706 B15R1.3981 CCCC(CCC)NCCc1cn[nH]c1 270004a_100000732747_100000210088 [0,0,1,0,1,0|2,0,0]=4 16707 B15R1.3981 CCCC(CCC)NCCc1cncs1 270004a_100016991637_100000210088 [0,0,1,0,1,0|2,0,0]=4 16708 B15R1.3981 CCCC(CCC)NCCc1ncc[nH]1 270004a_100000754300_100000210088 [0,0,1,0,1,0|2,0,0]=4 16709 B15R1.3981 CCCC(CCC)NCCc1nccs1 270004a_100015186391_100000210088 [0,0,1,0,1,0|2,0,0]=4 16710 B15R1.3981 CCCC(CCC)NCCn1cccc1 2230a_100011207992_200009811947 [0,0,1,0,1,0|1,0,0]=3 16711 B15R1.3981 CCCC(CCC)NCCn1cccc1 270004a_100011368172_100000210088 [0,0,1,0,1,0|1,0,0]=3 16712 B15R1.3981 CCCC(CCC)NCCn1cccc1 34a_100011368172_200011218217 [0,0,1,0,1,0|1,0,0]=3 16713 B15R1.3981 CCCC(CCC)NCCn1cccn1 2230a_100011207992_100000685285 [0,0,1,0,1,0|2,0,0]=4 16714 B15R1.3981 CCCC(CCC)NCCn1cccn1 270004a_100011200920_100000210088 [0,0,1,0,1,0|2,0,0]=4 16715 B15R1.3981 CCCC(CCC)NCCn1cccn1 34a_100011207992_100015204718 [0,0,1,0,1,0|2,0,0]=4 16716 B15R1.3981 CCCC(CCC)NCCn1ccnc1 270004a_100000230061_100000210088 [0,0,1,0,1,0|2,0,0]=4 16717 B15R1.3981 CCCC(CCC)OCCc1cccs1 34a_100011216825_200011218217 [0,0,1,0,1,0|2,0,0]=4 16718 B15R1.3981 CCCC(CCC)OCCc1cccs1 34a_200011218534_100000748579 [0,0,1,0,1,0|2,0,0]=4 16719 B15R1.3981 CCCC(CCC)OCCc1cccs1 7a_100011216825_200011218217 [0,0,1,0,1,0|2,0,0]=4 16720 B15R1.3981 CCCC(CCC)OCCc1cccs1 7a_200011218534_100000748579 [0,0,1,0,1,0|2,0,0]=4 16721 B15R1.3981 CCCC(CCC)OCCc1ccsc1 34a_100000748821_200011218217 [0,0,1,0,1,0|2,0,0]=4 16722 B15R1.3981 CCCC(CCC)OCCn1cccc1 34a_100000179382_200011218217 [0,0,1,0,1,0|2,0,0]=4 16723 B15R1.3981 CCCC(CCC)OCCn1cccc1 7a_200011218534_200000035178 [0,0,1,0,1,0|2,0,0]=4 16724 B15R1.3981 CCCC(CCC)SCCc1cccs1 62a_100000748579_200011218217 [0,0,1,0,1,0|2,0,0]=4 16725 B15R1.3981 CCCC(CCC)SCCc1cccs1 62a_200011218217_100000748579 [0,0,1,0,1,0|2,0,0]=4 16726 B15R1.3981 CCCC(CCC)SCCn1cccc1 62a_200009811947_200011218217 [0,0,1,0,1,0|2,0,0]=4 16727 B15R1.3981 CCCC(CCC)SCCn1cccc1 62a_200011218217_200000035178 [0,0,1,0,1,0|2,0,0]=4 16728 B15R1.3981 CCC[C@@H](CCO)NCCc1cccs1 2230a_100015193777_100000748579 [0,0,1,0,1,0|2,0,0]=4 16729 B15R1.3981 CCC[C@@H](CCO)NCCc1cccs1 34a_100015193777_100000748579 [0,0,1,0,1,0|2,0,0]=4 16730 B15R1.3981 CCC[C@@H](CCO)NCCn1cccc1 2230a_100015193777_200009811947 [0,0,1,0,1,0|2,0,0]=4 16731 B15R1.3983 CCCC(CCC)NCc1ccccc1 207a_100011207992_100015611070 [0,0,1,0,1,0|0,0,0]=2 16732 B15R1.3983 CCCC(CCC)NCc1ccccc1 2230a_100011207992_100015291786 [0,0,1,0,1,0|0,0,0]=2 16733 B15R1.3983 CCCC(CCC)NCc1ccccc1 270004a_100011207992_100015611070 [0,0,1,0,1,0|0,0,0]=2 16734 B15R1.3983 CCCC(CCC)NCc1ccccc1 270004a_100015324214_100000210088 [0,0,1,0,1,0|0,0,0]=2 16735 B15R1.3983 CCCC(CCC)NCc1ccccc1 34a_100011207992_100015291786 [0,0,1,0,1,0|0,0,0]=2 16736 B15R1.3983 CCCC(CCC)NCc1ccccc1 34a_100015324214_200011218217 [0,0,1,0,1,0|0,0,0]=2 16737 B15R1.3983 CCCC(CCC)NCc1ccccn1 207a_100011207992_100000209966 [0,0,1,0,1,0|1,0,0]=3 16738 B15R1.3983 CCCC(CCC)NCc1ccccn1 2230a_100011207992_100000721315 [0,0,1,0,1,0|1,0,0]=3 16739 B15R1.3983 CCCC(CCC)NCc1ccccn1 270004a_100000210449_100000210088 [0,0,1,0,1,0|1,0,0]=3 16740 B15R1.3983 CCCC(CCC)NCc1ccccn1 270004a_100011207992_100000209966 [0,0,1,0,1,0|1,0,0]=3 16741 B15R1.3983 CCCC(CCC)NCc1ccccn1 34a_100011207992_100000721315 [0,0,1,0,1,0|1,0,0]=3 16742 B15R1.3983 CCCC(CCC)NCc1cccnc1 207a_100011207992_100000209961 [0,0,1,0,1,0|1,0,0]=3 16743 B15R1.3983 CCCC(CCC)NCc1cccnc1 2230a_100011207992_100000741622 [0,0,1,0,1,0|1,0,0]=3 16744 B15R1.3983 CCCC(CCC)NCc1cccnc1 270004a_100000210453_100000210088 [0,0,1,0,1,0|1,0,0]=3 16745 B15R1.3983 CCCC(CCC)NCc1cccnc1 270004a_100011207992_100000209961 [0,0,1,0,1,0|1,0,0]=3 16746 B15R1.3983 CCCC(CCC)NCc1cccnc1 34a_100011207992_100000733263 [0,0,1,0,1,0|1,0,0]=3 16747 B15R1.3983 CCCC(CCC)NCc1cccnn1 2230a_100011207992_100016990269 [0,0,1,0,1,0|2,0,0]=4 16748 B15R1.3983 CCCC(CCC)NCc1cccnn1 34a_100011207992_100016990269 [0,0,1,0,1,0|2,0,0]=4 16749 B15R1.3983 CCCC(CCC)NCc1ccncc1 207a_100011207992_100000186114 [0,0,1,0,1,0|1,0,0]=3 16750 B15R1.3983 CCCC(CCC)NCc1ccncc1 2230a_100011207992_100015193705 [0,0,1,0,1,0|1,0,0]=3 16751 B15R1.3983 CCCC(CCC)NCc1ccnnc1 270004a_100011207992_100011934578 [0,0,1,0,1,0|2,0,0]=4 16752 B15R1.3983 CCCC(CCC)NCc1cnccn1 2230a_100011207992_100016995436 [0,0,1,0,1,0|2,0,0]=4 16753 B15R1.3983 CCCC(CCC)NCc1cnccn1 270004a_100011207992_100000749867 [0,0,1,0,1,0|2,0,0]=4 16754 B15R1.3983 CCCC(CCC)NCc1cnccn1 34a_100011207992_100016995436 [0,0,1,0,1,0|2,0,0]=4 16755 B15R1.3983 CCCC(CCC)NCc1cncnc1 2230a_100011207992_100015196519 [0,0,1,0,1,0|2,0,0]=4 16756 B15R1.3983 CCCC(CCC)NCc1cncnc1 270004a_100011207992_100000749868 [0,0,1,0,1,0|2,0,0]=4 16757 B15R1.3983 CCCC(CCC)NCc1cncnc1 270004a_100011243677_100000210088 [0,0,1,0,1,0|2,0,0]=4 16758 B15R1.3983 CCCC(CCC)NCc1cncnc1 34a_100011207992_100015196519 [0,0,1,0,1,0|2,0,0]=4 16759 B15R1.3983 CCCC(CCC)NCc1ncccn1 2230a_100011207992_100000703007 [0,0,1,0,1,0|2,0,0]=4 16760 B15R1.3983 CCCC(CCC)NCc1ncccn1 270004a_100011207992_100011532527 [0,0,1,0,1,0|2,0,0]=4 16761 B15R1.3983 CCCC(CCC)NCc1ncccn1 34a_100011207992_100000703007 [0,0,1,0,1,0|2,0,0]=4 16762 B15R1.3983 CCCC(CCC)OCc1ccccc1 34a_100000210790_200011218217 [0,0,1,0,1,0|1,0,0]=3 16763 B15R1.3983 CCCC(CCC)OCc1ccccc1 34a_200011218534_100015291786 [0,0,1,0,1,0|1,0,0]=3 16764 B15R1.3983 CCCC(CCC)OCc1ccccc1 7a_100000210790_200011218217 [0,0,1,0,1,0|1,0,0]=3 16765 B15R1.3983 CCCC(CCC)OCc1ccccc1 7a_200011218534_100000211182 [0,0,1,0,1,0|1,0,0]=3 16766 B15R1.3983 CCCC(CCC)OCc1ccccn1 34a_200011218534_100000721315 [0,0,1,0,1,0|2,0,0]=4 16767 B15R1.3983 CCCC(CCC)OCc1ccccn1 7a_200011218534_100000721315 [0,0,1,0,1,0|2,0,0]=4 16768 B15R1.3983 CCCC(CCC)OCc1cccnc1 34a_200011218534_100000733263 [0,0,1,0,1,0|2,0,0]=4 16769 B15R1.3983 CCCC(CCC)OCc1cccnc1 7a_200011218534_100000741622 [0,0,1,0,1,0|2,0,0]=4 16770 B15R1.3983 CCCC(CCC)OCc1ccncc1 7a_200011218534_100015193705 [0,0,1,0,1,0|2,0,0]=4 16771 B15R1.3983 CCCC(CCC)SCc1ccccc1 62a_100000211182_200011218217 [0,0,1,0,1,0|1,0,0]=3 16772 B15R1.3983 CCCC(CCC)SCc1ccccc1 62a_200011218217_100015291786 [0,0,1,0,1,0|1,0,0]=3 16773 B15R1.3983 CCCC(CCC)SCc1ccccn1 62a_100000721315_200011218217 [0,0,1,0,1,0|2,0,0]=4 16774 B15R1.3983 CCCC(CCC)SCc1ccccn1 62a_200011218217_100000721315 [0,0,1,0,1,0|2,0,0]=4 16775 B15R1.3983 CCCC(CCC)SCc1cccnc1 62a_100000741622_200011218217 [0,0,1,0,1,0|2,0,0]=4 16776 B15R1.3983 CCCC(CCC)SCc1cccnc1 62a_200011218217_100000741622 [0,0,1,0,1,0|2,0,0]=4 16777 B15R1.3983 CCCC(CCC)SCc1ccncc1 62a_100015193705_200011218217 [0,0,1,0,1,0|2,0,0]=4 16778 B15R1.3983 CCCC(CCC)SCc1ccncc1 62a_200011218217_100015193705 [0,0,1,0,1,0|2,0,0]=4 16779 B15R1.3983 CCCC(CCc1ccccc1)NCC 270004a_100015525214_100000759375 [0,0,1,0,1,0|1,0,0]=3 16780 B15R1.3983 CCCN(CCC)CCc1ccccc1 2230a_100000210455_100000765856 [0,0,1,0,1,0|1,0,0]=3 16781 B15R1.3983 CCCN(CCC)CCc1ccccc1 269982a_100000210455_100000765856 [0,0,1,0,1,0|1,0,0]=3 16782 B15R1.3983 CCCN(CCC)CCc1ccccn1 2230a_100000176852_100000210303 [0,0,1,0,1,0|2,0,0]=4 16783 B15R1.3983 CCCN(CCC)CCc1ccccn1 2230a_100000210455_100015183660 [0,0,1,0,1,0|2,0,0]=4 16784 B15R1.3983 CCCN(CCC)CCc1ccccn1 269982a_100000176852_100000210303 [0,0,1,0,1,0|2,0,0]=4 16785 B15R1.3983 CCCN(CCC)CCc1ccccn1 269982a_100000210455_100015183660 [0,0,1,0,1,0|2,0,0]=4 16786 B15R1.3983 CCCN(CCC)CCc1cccnc1 2230a_100000210455_200011713674 [0,0,1,0,1,0|2,0,0]=4 16787 B15R1.3983 CCCN(CCC)CCc1cccnc1 269982a_100000210455_200011713674 [0,0,1,0,1,0|2,0,0]=4 16788 B15R1.3983 CCCN(CCC)CCc1ccncc1 2230a_100000210455_100000723409 [0,0,1,0,1,0|2,0,0]=4 16789 B15R1.3983 CCCN(CCC)CCc1ccncc1 269982a_100000210455_100000723409 [0,0,1,0,1,0|2,0,0]=4 16790 B15R1.3983 CCCN(CCC)CSc1ccccc1 2230a_100000210455_100011218342 [0,0,1,0,1,0|2,0,0]=4 16791 B15R1.3983 CCCN(CCC)CSc1ccccc1 269982a_100000210455_100011218342 [0,0,1,0,1,0|2,0,0]=4 16792 B15R1.3983 CCCN(CCO)CCc1ccccc1 2230a_100000211420_100000765856 [0,0,1,0,1,0|2,0,0]=4 16793 B15R1.3983 CCCN(CCO)CCc1ccccc1 269982a_100000211420_100000765856 [0,0,1,0,1,0|2,0,0]=4 16794 B15R1.3983 CCC[C@@H](CCO)NCc1ccccc1 207a_100015193777_100015611070 [0,0,1,0,1,0|1,0,0]=3 16795 B15R1.3983 CCC[C@@H](CCO)NCc1ccccc1 2230a_100015193777_100015291786 [0,0,1,0,1,0|1,0,0]=3 16796 B15R1.3983 CCC[C@@H](CCO)NCc1ccccc1 270004a_100015193777_100015611070 [0,0,1,0,1,0|1,0,0]=3 16797 B15R1.3983 CCC[C@@H](CCO)NCc1ccccc1 34a_100015193777_100015291786 [0,0,1,0,1,0|1,0,0]=3 16798 B15R1.3983 CCC[C@@H](CCO)NCc1ccccn1 207a_100015193777_100000209966 [0,0,1,0,1,0|2,0,0]=4 16799 B15R1.3983 CCC[C@@H](CCO)NCc1ccccn1 2230a_100015193777_100000721315 [0,0,1,0,1,0|2,0,0]=4 16800 B15R1.3983 CCC[C@@H](CCO)NCc1ccccn1 270004a_100015193777_100000209966 [0,0,1,0,1,0|2,0,0]=4 16801 B15R1.3983 CCC[C@@H](CCO)NCc1ccccn1 34a_100015193777_100000721315 [0,0,1,0,1,0|2,0,0]=4 16802 B15R1.3983 CCC[C@@H](CCO)NCc1cccnc1 207a_100015193777_100000209961 [0,0,1,0,1,0|2,0,0]=4 16803 B15R1.3983 CCC[C@@H](CCO)NCc1cccnc1 2230a_100015193777_100000741622 [0,0,1,0,1,0|2,0,0]=4 16804 B15R1.3983 CCC[C@@H](CCO)NCc1cccnc1 270004a_100015193777_100000209961 [0,0,1,0,1,0|2,0,0]=4 16805 B15R1.3983 CCC[C@@H](CCO)NCc1cccnc1 34a_100015193777_100000733263 [0,0,1,0,1,0|2,0,0]=4 16806 B15R1.3983 CCC[C@@H](CCO)NCc1ccncc1 207a_100015193777_100000186114 [0,0,1,0,1,0|2,0,0]=4 16807 B15R1.3983 CCC[C@@H](CCO)NCc1ccncc1 2230a_100015193777_100015193705 [0,0,1,0,1,0|2,0,0]=4 16808 B15R1.3983 COCC(COC)NCc1ccccc1 207a_100011997029_100015611070 [0,0,1,0,1,0|2,0,0]=4 16809 B15R1.3983 COCC(COC)NCc1ccccc1 2230a_100011997029_100015291786 [0,0,1,0,1,0|2,0,0]=4 16810 B15R1.3983 COCC(COC)NCc1ccccc1 270004a_100011997029_100015611070 [0,0,1,0,1,0|2,0,0]=4 16811 B15R1.3983 COCC(COC)NCc1ccccc1 270004a_100015324214_100000761750 [0,0,1,0,1,0|2,0,0]=4 16812 B15R1.2207 C=CC=CC(=O)CCN1CCCCCC1 1458a_100016291481_100000722644 [0,0,1,0,1,0|2,0,0]=4 16813 B15R1.2207 C=CC=CC(=O)NCC1CCCCCC1 1626a_100015204231_100016291481 [0,0,1,0,1,0|2,0,0]=4 16814 B15R2.2195 C(=CC1CCCCC1)c2ccccc2 271570a_100016283615_100000210277 [0,0,0,0,2,0|0,0,2]=4 16815 B15R2.2195 C1=CC(CCC1)NCc2ccccc2 2230a_100015324214_100000751183 [0,0,0,0,2,0|0,0,2]=4 16816 B15R2.2195 c1cc(ccn1)CNC2CCCCC2 207a_100000182618_100000186114 [0,0,0,0,2,0|1,0,0]=3 16817 B15R2.2195 c1cc(ccn1)CNC2CCCCC2 2230a_100000182618_100015193705 [0,0,0,0,2,0|1,0,0]=3 16818 B15R2.2195 c1cc(ccn1)CNC2CCCOC2 207a_100000719290_100000186114 [0,0,0,0,2,0|2,0,0]=4 16819 B15R2.2195 c1cc(ccn1)CNC2CCCOC2 2230a_100000719290_100015193705 [0,0,0,0,2,0|2,0,0]=4 16820 B15R2.2195 c1cc(ccn1)CNC2CCOCC2 207a_100000741149_100000186114 [0,0,0,0,2,0|2,0,0]=4 16821 B15R2.2195 c1cc(ccn1)CNC2CCOCC2 2230a_100000741149_100015193705 [0,0,0,0,2,0|2,0,0]=4 16822 B15R2.2195 c1cc(ccn1)CNC2CCSCC2 207a_100000748639_100000186114 [0,0,0,0,2,0|2,0,0]=4 16823 B15R2.2195 c1cc(ccn1)CNC2CCSCC2 2230a_100000748639_100015193705 [0,0,0,0,2,0|2,0,0]=4 16824 B15R2.2195 c1cc(ccn1)COC2CCCCC2 7a_100000210231_100015193705 [0,0,0,0,2,0|2,0,0]=4 16825 B15R2.2195 c1cc(ccn1)CSC2CCCCC2 62a_100000210327_100015193705 [0,0,0,0,2,0|2,0,0]=4 16826 B15R2.2195 c1cc(ccn1)CSC2CCCCC2 62a_100015193705_100000210327 [0,0,0,0,2,0|2,0,0]=4 16827 B15R2.2195 c1cc(ccn1)OCC2CCCCC2 34a_100000212176_100000211423 [0,0,0,0,2,0|2,0,0]=4 16828 B15R2.2195 c1cc(ccn1)SCC2CCCCC2 62a_100000211423_100000728582 [0,0,0,0,2,0|2,0,0]=4 16829 B15R2.2195 c1cc(ccn1)SCC2CCCCC2 62a_100000728582_100000211423 [0,0,0,0,2,0|2,0,0]=4 16830 B15R2.2195 c1cc(cnn1)CNC2CCCCC2 270004a_100000182618_100011934578 [0,0,0,0,2,0|2,0,0]=4 16831 B15R2.2195 c1ccc(cc1)CCN2CCCOC2 2230a_100000131196_100000765856 [0,0,0,0,2,0|2,0,0]=4 16832 B15R2.2195 c1ccc(cc1)CCN2CCCOC2 269982a_100000131196_100000765856 [0,0,0,0,2,0|2,0,0]=4 16833 B15R2.2195 c1ccc(cc1)CCN2CCCOC2 34a_100000131196_100000765856 [0,0,0,0,2,0|2,0,0]=4 16834 B15R2.2195 c1ccc(cc1)CCN2CCOCC2 2230a_100015191051_100000765856 [0,0,0,0,2,0|2,0,0]=4 16835 B15R2.2195 c1ccc(cc1)CCN2CCOCC2 269982a_100015191051_100000765856 [0,0,0,0,2,0|2,0,0]=4 16836 B15R2.2195 c1ccc(cc1)CCN2CCOCC2 34a_100015191051_100000765856 [0,0,0,0,2,0|2,0,0]=4 16837 B15R2.2195 c1ccc(cc1)CCN2CCSCC2 2230a_100000737611_100000765856 [0,0,0,0,2,0|2,0,0]=4 16838 B15R2.2195 c1ccc(cc1)CCN2CCSCC2 269982a_100000737611_100000765856 [0,0,0,0,2,0|2,0,0]=4 16839 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 207a_100000182618_100015611070 [0,0,0,0,2,0|0,0,0]=2 16840 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 2230a_100000182618_100015291786 [0,0,0,0,2,0|0,0,0]=2 16841 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 270004a_100000182618_100015611070 [0,0,0,0,2,0|0,0,0]=2 16842 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 270004a_100015324214_100000210434 [0,0,0,0,2,0|0,0,0]=2 16843 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 34a_100000182618_100015291786 [0,0,0,0,2,0|0,0,0]=2 16844 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 34a_100015324214_100000210327 [0,0,0,0,2,0|0,0,0]=2 16845 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 207a_100000719290_100015611070 [0,0,0,0,2,0|1,0,0]=3 16846 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 2230a_100000719290_100015291786 [0,0,0,0,2,0|1,0,0]=3 16847 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 270004a_100000719290_100015611070 [0,0,0,0,2,0|1,0,0]=3 16848 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 270004a_100015324214_100000753404 [0,0,0,0,2,0|1,0,0]=3 16849 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 34a_100000719290_100015291786 [0,0,0,0,2,0|1,0,0]=3 16850 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 34a_100015324214_100000693364 [0,0,0,0,2,0|1,0,0]=3 16851 B15R2.2195 c1ccc(cc1)CNC2CCCSC2 270004a_100015324214_100000057913 [0,0,0,0,2,0|1,0,0]=3 16852 B15R2.2195 c1ccc(cc1)CNC2CCNCC2 270004a_100015324214_100015192401 [0,0,0,0,2,0|1,0,0]=3 16853 B15R2.2195 c1ccc(cc1)CNC2CCOCC2 207a_100000741149_100015611070 [0,0,0,0,2,0|1,0,0]=3 16854 B15R2.2195 c1ccc(cc1)CNC2CCOCC2 2230a_100000741149_100015291786 [0,0,0,0,2,0|1,0,0]=3 16855 B15R2.2195 c1ccc(cc1)CNC2CCOCC2 270004a_100000741149_100015611070 [0,0,0,0,2,0|1,0,0]=3 16856 B15R2.2195 c1ccc(cc1)CNC2CCOCC2 270004a_100015324214_100011217826 [0,0,0,0,2,0|1,0,0]=3 16857 B15R2.2195 c1ccc(cc1)CNC2CCOCC2 34a_100000741149_100015291786 [0,0,0,0,2,0|1,0,0]=3 16858 B15R2.2195 c1ccc(cc1)CNC2CCSCC2 207a_100000748639_100015611070 [0,0,0,0,2,0|1,0,0]=3 16859 B15R2.2195 c1ccc(cc1)CNC2CCSCC2 2230a_100000748639_100015291786 [0,0,0,0,2,0|1,0,0]=3 16860 B15R2.2195 c1ccc(cc1)CNC2CCSCC2 270004a_100000748639_100015611070 [0,0,0,0,2,0|1,0,0]=3 16861 B15R2.2195 c1ccc(cc1)CNC2CCSCC2 270004a_100015324214_100000203788 [0,0,0,0,2,0|1,0,0]=3 16862 B15R2.2195 c1ccc(cc1)CNC2CCSCC2 34a_100000748639_100015291786 [0,0,0,0,2,0|1,0,0]=3 16863 B15R2.2195 c1ccc(cc1)CNC2CCSCC2 34a_100015324214_100000069128 [0,0,0,0,2,0|1,0,0]=3 16864 B15R2.2195 c1ccc(cc1)COC2CCCCC2 34a_100000210231_100015291786 [0,0,0,0,2,0|1,0,0]=3 16865 B15R2.2195 c1ccc(cc1)COC2CCCCC2 34a_100000210790_100000210327 [0,0,0,0,2,0|1,0,0]=3 16866 B15R2.2195 c1ccc(cc1)COC2CCCCC2 7a_100000210231_100000211182 [0,0,0,0,2,0|1,0,0]=3 16867 B15R2.2195 c1ccc(cc1)COC2CCCCC2 7a_100000210790_100000210327 [0,0,0,0,2,0|1,0,0]=3 16868 B15R2.2195 c1ccc(cc1)COC2CCCCO2 34a_100000033831_100015291786 [0,0,0,0,2,0|2,0,0]=4 16869 B15R2.2195 c1ccc(cc1)COC2CCCOC2 34a_100000210790_100000693364 [0,0,0,0,2,0|2,0,0]=4 16870 B15R2.2195 c1ccc(cc1)COC2CCCOC2 34a_100000754041_100015291786 [0,0,0,0,2,0|2,0,0]=4 16871 B15R2.2195 c1ccc(cc1)COC2CCCOC2 7a_100000210790_100000693364 [0,0,0,0,2,0|2,0,0]=4 16872 B15R2.2195 c1ccc(cc1)COC2CCCSC2 7a_100015962668_100000211182 [0,0,0,0,2,0|2,0,0]=4 16873 B15R2.2195 c1ccc(cc1)COC2CCOCC2 34a_100000744328_100015291786 [0,0,0,0,2,0|2,0,0]=4 16874 B15R2.2195 c1ccc(cc1)COC2CCOCC2 7a_100000210790_100000686592 [0,0,0,0,2,0|2,0,0]=4 16875 B15R2.2195 c1ccc(cc1)COC2CCSCC2 34a_100000210790_100000069128 [0,0,0,0,2,0|2,0,0]=4 16876 B15R2.2195 c1ccc(cc1)COC2CCSCC2 34a_100000731022_100015291786 [0,0,0,0,2,0|2,0,0]=4 16877 B15R2.2195 c1ccc(cc1)COC2CCSCC2 7a_100000210790_100011500858 [0,0,0,0,2,0|2,0,0]=4 16878 B15R2.2195 c1ccc(cc1)COC2CCSCC2 7a_100000731022_100000211182 [0,0,0,0,2,0|2,0,0]=4 16879 B15R2.2195 c1ccc(cc1)CSC2CCCCC2 62a_100000210327_100015291786 [0,0,0,0,2,0|1,0,0]=3 16880 B15R2.2195 c1ccc(cc1)CSC2CCCCC2 62a_100000211182_100000210327 [0,0,0,0,2,0|1,0,0]=3 16881 B15R2.2195 c1ccc(cc1)CSC2CCCOC2 62a_100000211182_100000693364 [0,0,0,0,2,0|2,0,0]=4 16882 B15R2.2195 c1ccc(cc1)CSC2CCOCC2 62a_100000211182_100011324220 [0,0,0,0,2,0|2,0,0]=4 16883 B15R2.2195 c1ccc(cc1)CSC2CCSCC2 62a_100000211182_100000069128 [0,0,0,0,2,0|2,0,0]=4 16884 B15R2.2195 c1ccc(cc1)NCC2CCCCC2 34a_100000106764_100000211423 [0,0,0,0,2,0|1,0,0]=3 16885 B15R2.2195 c1ccc(cc1)NCC2CCCCO2 34a_100000106764_100000211543 [0,0,0,0,2,0|2,0,0]=4 16886 B15R2.2195 c1ccc(cc1)NCC2CCCOC2 34a_100000106764_100000741521 [0,0,0,0,2,0|2,0,0]=4 16887 B15R2.2195 c1ccc(cc1)NCC2CCOCC2 34a_100000106764_100000754603 [0,0,0,0,2,0|2,0,0]=4 16888 B15R2.2195 c1ccc(cc1)OCC2CCCCC2 34a_100000210340_100000211423 [0,0,0,0,2,0|1,0,0]=3 16889 B15R2.2195 c1ccc(cc1)OCC2CCCCC2 7a_100000210340_100000211423 [0,0,0,0,2,0|1,0,0]=3 16890 B15R2.2195 c1ccc(cc1)OCC2CCCCO2 34a_100000210340_100000211543 [0,0,0,0,2,0|2,0,0]=4 16891 B15R2.2195 c1ccc(cc1)OCC2CCCCO2 7a_100000210340_100000211543 [0,0,0,0,2,0|2,0,0]=4 16892 B15R2.2195 c1ccc(cc1)OCC2CCCOC2 34a_100000210340_100000741521 [0,0,0,0,2,0|2,0,0]=4 16893 B15R2.2195 c1ccc(cc1)OCC2CCCOC2 7a_100000210340_100000741521 [0,0,0,0,2,0|2,0,0]=4 16894 B15R2.2195 c1ccc(cc1)OCC2CCOCC2 34a_100000210340_100000754603 [0,0,0,0,2,0|2,0,0]=4 16895 B15R2.2195 c1ccc(cc1)OCC2CCOCC2 7a_100000210340_100000754603 [0,0,0,0,2,0|2,0,0]=4 16896 B15R2.2195 c1ccc(cc1)SCC2CCCCC2 62a_100000211423_100000041952 [0,0,0,0,2,0|1,0,0]=3 16897 B15R2.2195 c1ccc(cc1)SCC2CCCCC2 62a_100000719477_100000211423 [0,0,0,0,2,0|1,0,0]=3 16898 B15R2.2195 c1ccc(cc1)SCC2CCCCO2 62a_100000211543_100000041952 [0,0,0,0,2,0|2,0,0]=4 16899 B15R2.2195 c1ccc(cc1)SCC2CCCCO2 62a_100000719477_100000211543 [0,0,0,0,2,0|2,0,0]=4 16900 B15R2.2195 c1ccc(cc1)SCC2CCCOC2 62a_100000719477_100000741521 [0,0,0,0,2,0|2,0,0]=4 16901 B15R2.2195 c1ccc(cc1)SCC2CCCOC2 62a_100000741521_100000041952 [0,0,0,0,2,0|2,0,0]=4 16902 B15R2.2195 c1ccc(cc1)SCC2CCOCC2 62a_100000719477_100000749018 [0,0,0,0,2,0|2,0,0]=4 16903 B15R2.2195 c1ccc(cc1)SCC2CCOCC2 62a_100000754603_100000041952 [0,0,0,0,2,0|2,0,0]=4 16904 B15R2.2195 c1ccc(nc1)CNC2CCCCC2 207a_100000182618_100000209966 [0,0,0,0,2,0|1,0,0]=3 16905 B15R2.2195 c1ccc(nc1)CNC2CCCCC2 2230a_100000182618_100000721315 [0,0,0,0,2,0|1,0,0]=3 16906 B15R2.2195 c1ccc(nc1)CNC2CCCCC2 270004a_100000182618_100000209966 [0,0,0,0,2,0|1,0,0]=3 16907 B15R2.2195 c1ccc(nc1)CNC2CCCCC2 270004a_100000210449_100000210434 [0,0,0,0,2,0|1,0,0]=3 16908 B15R2.2195 c1ccc(nc1)CNC2CCCCC2 34a_100000182618_100000721315 [0,0,0,0,2,0|1,0,0]=3 16909 B15R2.2195 c1ccc(nc1)CNC2CCCOC2 207a_100000719290_100000209966 [0,0,0,0,2,0|2,0,0]=4 16910 B15R2.2195 c1ccc(nc1)CNC2CCCOC2 2230a_100000719290_100000721315 [0,0,0,0,2,0|2,0,0]=4 16911 B15R2.2195 c1ccc(nc1)CNC2CCCOC2 270004a_100000210449_100000753404 [0,0,0,0,2,0|2,0,0]=4 16912 B15R2.2195 c1ccc(nc1)CNC2CCCOC2 270004a_100000719290_100000209966 [0,0,0,0,2,0|2,0,0]=4 16913 B15R2.2195 c1ccc(nc1)CNC2CCCOC2 34a_100000719290_100000721315 [0,0,0,0,2,0|2,0,0]=4 16914 B15R2.2195 c1ccc(nc1)CNC2CCCSC2 270004a_100000210449_100000057913 [0,0,0,0,2,0|2,0,0]=4 16915 B15R2.2195 c1ccc(nc1)CNC2CCNCC2 270004a_100000210449_100015192401 [0,0,0,0,2,0|2,0,0]=4 16916 B15R2.2195 c1ccc(nc1)CNC2CCOCC2 207a_100000741149_100000209966 [0,0,0,0,2,0|2,0,0]=4 16917 B15R2.2195 c1ccc(nc1)CNC2CCOCC2 2230a_100000741149_100000721315 [0,0,0,0,2,0|2,0,0]=4 16918 B15R2.2195 c1ccc(nc1)CNC2CCOCC2 270004a_100000210449_100011217826 [0,0,0,0,2,0|2,0,0]=4 16919 B15R2.2195 c1ccc(nc1)CNC2CCOCC2 270004a_100000741149_100000209966 [0,0,0,0,2,0|2,0,0]=4 16920 B15R2.2195 c1ccc(nc1)CNC2CCOCC2 34a_100000741149_100000721315 [0,0,0,0,2,0|2,0,0]=4 16921 B15R2.2195 c1ccc(nc1)CNC2CCSCC2 207a_100000748639_100000209966 [0,0,0,0,2,0|2,0,0]=4 16922 B15R2.2195 c1ccc(nc1)CNC2CCSCC2 2230a_100000748639_100000721315 [0,0,0,0,2,0|2,0,0]=4 16923 B15R2.2195 c1ccc(nc1)CNC2CCSCC2 270004a_100000210449_100000203788 [0,0,0,0,2,0|2,0,0]=4 16924 B15R2.2195 c1ccc(nc1)CNC2CCSCC2 270004a_100000748639_100000209966 [0,0,0,0,2,0|2,0,0]=4 16925 B15R2.2195 c1ccc(nc1)CNC2CCSCC2 34a_100000748639_100000721315 [0,0,0,0,2,0|2,0,0]=4 16926 B15R2.2195 c1ccc(nc1)COC2CCCCC2 34a_100000210231_100000721315 [0,0,0,0,2,0|2,0,0]=4 16927 B15R2.2195 c1ccc(nc1)COC2CCCCC2 7a_100000210231_100000721315 [0,0,0,0,2,0|2,0,0]=4 16928 B15R2.2195 c1ccc(nc1)CSC2CCCCC2 62a_100000210327_100000721315 [0,0,0,0,2,0|2,0,0]=4 16929 B15R2.2195 c1ccc(nc1)CSC2CCCCC2 62a_100000721315_100000210327 [0,0,0,0,2,0|2,0,0]=4 16930 B15R2.2195 c1ccc(nc1)SCC2CCCCC2 62a_100000211423_100011216584 [0,0,0,0,2,0|2,0,0]=4 16931 B15R2.2195 c1ccc(nc1)SCC2CCCCC2 62a_100011216584_100000211423 [0,0,0,0,2,0|2,0,0]=4 16932 B15R2.2195 c1cnc(cn1)CNC2CCCCC2 2230a_100000182618_100016995436 [0,0,0,0,2,0|2,0,0]=4 16933 B15R2.2195 c1cnc(cn1)CNC2CCCCC2 270004a_100000182618_100000749867 [0,0,0,0,2,0|2,0,0]=4 16934 B15R2.2195 c1cnc(cn1)CNC2CCCCC2 34a_100000182618_100016995436 [0,0,0,0,2,0|2,0,0]=4 16935 B15R2.2195 c1cnc(nc1)CNC2CCCCC2 2230a_100000182618_100000703007 [0,0,0,0,2,0|2,0,0]=4 16936 B15R2.2195 c1cnc(nc1)CNC2CCCCC2 270004a_100000182618_100011532527 [0,0,0,0,2,0|2,0,0]=4 16937 B15R2.2195 c1cnc(nc1)CNC2CCCCC2 34a_100000182618_100000703007 [0,0,0,0,2,0|2,0,0]=4 16938 B15R2.2195 c1cncc(c1)CNC2CCCCC2 207a_100000182618_100000209961 [0,0,0,0,2,0|1,0,0]=3 16939 B15R2.2195 c1cncc(c1)CNC2CCCCC2 2230a_100000182618_100000741622 [0,0,0,0,2,0|1,0,0]=3 16940 B15R2.2195 c1cncc(c1)CNC2CCCCC2 270004a_100000182618_100000209961 [0,0,0,0,2,0|1,0,0]=3 16941 B15R2.2195 c1cncc(c1)CNC2CCCCC2 270004a_100000210453_100000210434 [0,0,0,0,2,0|1,0,0]=3 16942 B15R2.2195 c1cncc(c1)CNC2CCCCC2 34a_100000182618_100000733263 [0,0,0,0,2,0|1,0,0]=3 16943 B15R2.2195 c1cncc(c1)CNC2CCCOC2 207a_100000719290_100000209961 [0,0,0,0,2,0|2,0,0]=4 16944 B15R2.2195 c1cncc(c1)CNC2CCCOC2 2230a_100000719290_100000741622 [0,0,0,0,2,0|2,0,0]=4 16945 B15R2.2195 c1cncc(c1)CNC2CCCOC2 270004a_100000210453_100000753404 [0,0,0,0,2,0|2,0,0]=4 16946 B15R2.2195 c1cncc(c1)CNC2CCCOC2 270004a_100000719290_100000209961 [0,0,0,0,2,0|2,0,0]=4 16947 B15R2.2195 c1cncc(c1)CNC2CCCOC2 34a_100000719290_100000733263 [0,0,0,0,2,0|2,0,0]=4 16948 B15R2.2195 c1cncc(c1)CNC2CCCSC2 270004a_100000210453_100000057913 [0,0,0,0,2,0|2,0,0]=4 16949 B15R2.2195 c1cncc(c1)CNC2CCNCC2 270004a_100000210453_100015192401 [0,0,0,0,2,0|2,0,0]=4 16950 B15R2.2195 c1cncc(c1)CNC2CCOCC2 207a_100000741149_100000209961 [0,0,0,0,2,0|2,0,0]=4 16951 B15R2.2195 c1cncc(c1)CNC2CCOCC2 2230a_100000741149_100000741622 [0,0,0,0,2,0|2,0,0]=4 16952 B15R2.2195 c1cncc(c1)CNC2CCOCC2 270004a_100000210453_100011217826 [0,0,0,0,2,0|2,0,0]=4 16953 B15R2.2195 c1cncc(c1)CNC2CCOCC2 270004a_100000741149_100000209961 [0,0,0,0,2,0|2,0,0]=4 16954 B15R2.2195 c1cncc(c1)CNC2CCOCC2 34a_100000741149_100000733263 [0,0,0,0,2,0|2,0,0]=4 16955 B15R2.2195 c1cncc(c1)CNC2CCSCC2 207a_100000748639_100000209961 [0,0,0,0,2,0|2,0,0]=4 16956 B15R2.2195 c1cncc(c1)CNC2CCSCC2 2230a_100000748639_100000741622 [0,0,0,0,2,0|2,0,0]=4 16957 B15R2.2195 c1cncc(c1)CNC2CCSCC2 270004a_100000210453_100000203788 [0,0,0,0,2,0|2,0,0]=4 16958 B15R2.2195 c1cncc(c1)CNC2CCSCC2 270004a_100000748639_100000209961 [0,0,0,0,2,0|2,0,0]=4 16959 B15R2.2195 c1cncc(c1)CNC2CCSCC2 34a_100000748639_100000733263 [0,0,0,0,2,0|2,0,0]=4 16960 B15R2.2195 c1cncc(c1)COC2CCCCC2 34a_100000210231_100000733263 [0,0,0,0,2,0|2,0,0]=4 16961 B15R2.2195 c1cncc(c1)COC2CCCCC2 7a_100000210231_100000741622 [0,0,0,0,2,0|2,0,0]=4 16962 B15R2.2195 c1cncc(c1)CSC2CCCCC2 62a_100000210327_100000741622 [0,0,0,0,2,0|2,0,0]=4 16963 B15R2.2195 c1cncc(c1)CSC2CCCCC2 62a_100000741622_100000210327 [0,0,0,0,2,0|2,0,0]=4 16964 B15R2.2195 c1cncc(c1)OCC2CCCCC2 34a_100000210849_100000211423 [0,0,0,0,2,0|2,0,0]=4 16965 B15R2.2195 c1cncc(c1)OCC2CCCCC2 7a_100000210849_100000211423 [0,0,0,0,2,0|2,0,0]=4 16966 B15R2.2195 c1cncc(c1)SCC2CCCCC2 62a_100000210063_100000211423 [0,0,0,0,2,0|2,0,0]=4 16967 B15R2.2195 c1cncc(c1)SCC2CCCCC2 62a_100000211423_100000210063 [0,0,0,0,2,0|2,0,0]=4 16968 B15R2.2195 c1cnnc(c1)CNC2CCCCC2 2230a_100000182618_100016990269 [0,0,0,0,2,0|2,0,0]=4 16969 B15R2.2195 c1cnnc(c1)CNC2CCCCC2 34a_100000182618_100016990269 [0,0,0,0,2,0|2,0,0]=4 16970 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 2230a_100000182618_100015196519 [0,0,0,0,2,0|2,0,0]=4 16971 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 270004a_100000182618_100000749868 [0,0,0,0,2,0|2,0,0]=4 16972 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 270004a_100011243677_100000210434 [0,0,0,0,2,0|2,0,0]=4 16973 B15R2.2195 c1ncc(cn1)CNC2CCCCC2 34a_100000182618_100015196519 [0,0,0,0,2,0|2,0,0]=4 16974 B15R2.2196 C(=NNC1CCCC1)c2ccccc2 4a_100000737850_100015611070 [0,0,0,0,2,0|1,0,1]=4 16975 B15R2.2196 C1=CCC(C1)NCCc2ccccc2 2230a_100015188752_100000765856 [0,0,0,0,2,0|0,0,2]=4 16976 B15R2.2196 c1c[nH]c(n1)CCNC2CCCCC2 270004a_100000754300_100000210434 [0,0,0,0,2,0|2,0,0]=4 16977 B15R2.2196 c1cc(ccn1)CCNC2CCCC2 2230a_100000211070_100000723409 [0,0,0,0,2,0|1,0,0]=3 16978 B15R2.2196 c1cc(ccn1)CCNC2CCCC2 270004a_100000742849_100000210133 [0,0,0,0,2,0|1,0,0]=3 16979 B15R2.2196 c1cc(ccn1)CCNC2CCOC2 270004a_100000742849_100000752484 [0,0,0,0,2,0|2,0,0]=4 16980 B15R2.2196 c1cc(ccn1)CCNC2CCSC2 270004a_100000742849_100000212027 [0,0,0,0,2,0|2,0,0]=4 16981 B15R2.2196 c1cc(ccn1)CCN[C@@H]2CCOC2 2230a_200015188469_100000723409 [0,0,0,0,2,0|2,0,0]=4 16982 B15R2.2196 c1cc(ccn1)CCN[C@H]2CCOC2 2230a_100015188467_100000723409 [0,0,0,0,2,0|2,0,0]=4 16983 B15R2.2196 c1cc(ccn1)CCOC2CCCC2 34a_100011216225_100000179811 [0,0,0,0,2,0|2,0,0]=4 16984 B15R2.2196 c1cc(ccn1)CCOC2CCCC2 7a_100000210269_100000723409 [0,0,0,0,2,0|2,0,0]=4 16985 B15R2.2196 c1cc(ccn1)CCSC2CCCC2 62a_100000723409_100000179811 [0,0,0,0,2,0|2,0,0]=4 16986 B15R2.2196 c1cc(ccn1)CCSC2CCCC2 62a_100011217020_100000723409 [0,0,0,0,2,0|2,0,0]=4 16987 B15R2.2196 c1cc(cs1)CCNC2CCCCC2 270004a_100000692642_100000210434 [0,0,0,0,2,0|1,0,0]=3 16988 B15R2.2196 c1cc(cs1)CCNC2CCCCC2 34a_100000692642_100000210327 [0,0,0,0,2,0|1,0,0]=3 16989 B15R2.2196 c1cc(cs1)CCNC2CCCOC2 270004a_100000692642_100000753404 [0,0,0,0,2,0|2,0,0]=4 16990 B15R2.2196 c1cc(cs1)CCNC2CCCOC2 34a_100000692642_100000693364 [0,0,0,0,2,0|2,0,0]=4 16991 B15R2.2196 c1cc(cs1)CCNC2CCCSC2 270004a_100000692642_100000057913 [0,0,0,0,2,0|2,0,0]=4 16992 B15R2.2196 c1cc(cs1)CCNC2CCNCC2 270004a_100000692642_100015192401 [0,0,0,0,2,0|2,0,0]=4 16993 B15R2.2196 c1cc(cs1)CCNC2CCOCC2 270004a_100000692642_100011217826 [0,0,0,0,2,0|2,0,0]=4 16994 B15R2.2196 c1cc(cs1)CCNC2CCSCC2 270004a_100000692642_100000203788 [0,0,0,0,2,0|2,0,0]=4 16995 B15R2.2196 c1cc(cs1)CCNC2CCSCC2 34a_100000692642_100000069128 [0,0,0,0,2,0|2,0,0]=4 16996 B15R2.2196 c1cc(cs1)CCOC2CCCCC2 34a_100000748821_100000210327 [0,0,0,0,2,0|2,0,0]=4 16997 B15R2.2196 c1ccc(cc1)CCCN2CCCC2 2230a_100000188435_100000211621 [0,0,0,0,2,0|2,0,0]=4 16998 B15R2.2196 c1ccc(cc1)CCCN2CCCC2 269982a_100000188435_100000211621 [0,0,0,0,2,0|2,0,0]=4 16999 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 2230a_100000106460_100000179811 [0,0,0,0,2,0|0,0,0]=2 17000 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 2230a_100000211070_100000765856 [0,0,0,0,2,0|0,0,0]=2 17001 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 270004a_100000106460_100000210133 [0,0,0,0,2,0|0,0,0]=2 17002 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 34a_100000106460_100000179811 [0,0,0,0,2,0|0,0,0]=2 17003 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 34a_100000211070_100000765856 [0,0,0,0,2,0|0,0,0]=2 17004 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 2230a_100000106460_100000731011 [0,0,0,0,2,0|1,0,0]=3 17005 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 270004a_100000106460_100000752484 [0,0,0,0,2,0|1,0,0]=3 17006 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 34a_100000106460_100000690089 [0,0,0,0,2,0|1,0,0]=3 17007 B15R2.2196 c1ccc(cc1)CCNC2CCSC2 270004a_100000106460_100000212027 [0,0,0,0,2,0|1,0,0]=3 17008 B15R2.2196 c1ccc(cc1)CCN[C@@H]2CCOC2 2230a_200015188469_100000765856 [0,0,0,0,2,0|1,0,0]=3 17009 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 2230a_100015188467_100000765856 [0,0,0,0,2,0|1,0,0]=3 17010 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 34a_100015188467_100000765856 [0,0,0,0,2,0|1,0,0]=3 17011 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 34a_100000210268_100000179811 [0,0,0,0,2,0|1,0,0]=3 17012 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 34a_100000210269_100000765856 [0,0,0,0,2,0|1,0,0]=3 17013 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 7a_100000210268_100000179811 [0,0,0,0,2,0|1,0,0]=3 17014 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 7a_100000210269_100000765856 [0,0,0,0,2,0|1,0,0]=3 17015 B15R2.2196 c1ccc(cc1)CCOC2CCCO2 34a_100000085407_100000765856 [0,0,0,0,2,0|2,0,0]=4 17016 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 34a_100000210268_100000690089 [0,0,0,0,2,0|2,0,0]=4 17017 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 7a_100000210268_100000731011 [0,0,0,0,2,0|2,0,0]=4 17018 B15R2.2196 c1ccc(cc1)CCOC2CCSC2 7a_100011232664_100000765856 [0,0,0,0,2,0|2,0,0]=4 17019 B15R2.2196 c1ccc(cc1)CCO[C@H]2CCOC2 34a_100000717292_100000765856 [0,0,0,0,2,0|2,0,0]=4 17020 B15R2.2196 c1ccc(cc1)CCSC2CCCC2 62a_100000765856_100000179811 [0,0,0,0,2,0|1,0,0]=3 17021 B15R2.2196 c1ccc(cc1)CCSC2CCCC2 62a_100011217020_100011218657 [0,0,0,0,2,0|1,0,0]=3 17022 B15R2.2196 c1ccc(cc1)CCSC2CCOC2 62a_100000765856_100000690089 [0,0,0,0,2,0|2,0,0]=4 17023 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 207a_100000737975_100015611070 [0,0,0,0,2,0|2,0,0]=4 17024 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 2230a_100000737975_100015291786 [0,0,0,0,2,0|2,0,0]=4 17025 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 2230a_100015324214_100000740388 [0,0,0,0,2,0|2,0,0]=4 17026 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 269862a_100015324214_100000746403 [0,0,0,0,2,0|2,0,0]=4 17027 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 270004a_100000737975_100015611070 [0,0,0,0,2,0|2,0,0]=4 17028 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 34a_100000737975_100015291786 [0,0,0,0,2,0|2,0,0]=4 17029 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 34a_100015324214_100000740388 [0,0,0,0,2,0|2,0,0]=4 17030 B15R2.2196 c1ccc(cc1)COCC2CCCC2 34a_100000210790_100000740388 [0,0,0,0,2,0|2,0,0]=4 17031 B15R2.2196 c1ccc(cc1)COCC2CCCC2 34a_100000742336_100015291786 [0,0,0,0,2,0|2,0,0]=4 17032 B15R2.2196 c1ccc(cc1)COCC2CCCC2 7a_100000210790_100000740388 [0,0,0,0,2,0|2,0,0]=4 17033 B15R2.2196 c1ccc(cc1)COCC2CCCC2 7a_100000742336_100000211182 [0,0,0,0,2,0|2,0,0]=4 17034 B15R2.2196 c1ccc(cc1)CSCC2CCCC2 62a_100000211182_100000740388 [0,0,0,0,2,0|2,0,0]=4 17035 B15R2.2196 c1ccc(cc1)CSCC2CCCC2 62a_100000740388_100015291786 [0,0,0,0,2,0|2,0,0]=4 17036 B15R2.2196 c1ccc(cc1)NCCC2CCCC2 34a_100000106764_100000760354 [0,0,0,0,2,0|2,0,0]=4 17037 B15R2.2196 c1ccc(cc1)OCCC2CCCC2 34a_100000210340_100000760354 [0,0,0,0,2,0|2,0,0]=4 17038 B15R2.2196 c1ccc(cc1)OCCC2CCCC2 7a_100000210340_100000760354 [0,0,0,0,2,0|2,0,0]=4 17039 B15R2.2196 c1ccc(cc1)SCCC2CCCC2 62a_100000719477_100000760354 [0,0,0,0,2,0|2,0,0]=4 17040 B15R2.2196 c1ccc(cc1)SCCC2CCCC2 62a_100000760354_100000041952 [0,0,0,0,2,0|2,0,0]=4 17041 B15R2.2196 c1ccc(cc1)SCNC2CCCC2 2230a_100000211070_100011218342 [0,0,0,0,2,0|1,0,0]=3 17042 B15R2.2196 c1ccc(cc1)SCN[C@@H]2CCOC2 2230a_200015188469_100011218342 [0,0,0,0,2,0|2,0,0]=4 17043 B15R2.2196 c1ccc(cc1)SCN[C@H]2CCOC2 2230a_100015188467_100011218342 [0,0,0,0,2,0|2,0,0]=4 17044 B15R2.2196 c1ccc(cc1)SCSC2CCCC2 62a_100011217020_100011218342 [0,0,0,0,2,0|2,0,0]=4 17045 B15R2.2196 c1ccc(cc1)SCSC2CCCC2 62a_100011218342_100000179811 [0,0,0,0,2,0|2,0,0]=4 17046 B15R2.2196 c1ccc(nc1)CCNC2CCCC2 2230a_100000211070_100015183660 [0,0,0,0,2,0|1,0,0]=3 17047 B15R2.2196 c1ccc(nc1)CCNC2CCCC2 270004a_100000211156_100000210133 [0,0,0,0,2,0|1,0,0]=3 17048 B15R2.2196 c1ccc(nc1)CCNC2CCOC2 270004a_100000211156_100000752484 [0,0,0,0,2,0|2,0,0]=4 17049 B15R2.2196 c1ccc(nc1)CCNC2CCSC2 270004a_100000211156_100000212027 [0,0,0,0,2,0|2,0,0]=4 17050 B15R2.2196 c1ccc(nc1)CCN[C@@H]2CCOC2 2230a_200015188469_100015183660 [0,0,0,0,2,0|2,0,0]=4 17051 B15R2.2196 c1ccc(nc1)CCN[C@H]2CCOC2 2230a_100015188467_100015183660 [0,0,0,0,2,0|2,0,0]=4 17052 B15R2.2196 c1ccc(nc1)CCOC2CCCC2 34a_100000210271_100000179811 [0,0,0,0,2,0|2,0,0]=4 17053 B15R2.2196 c1ccc(nc1)CCOC2CCCC2 7a_100000210269_100015183660 [0,0,0,0,2,0|2,0,0]=4 17054 B15R2.2196 c1ccc(nc1)CCSC2CCCC2 62a_100011217020_100015183660 [0,0,0,0,2,0|2,0,0]=4 17055 B15R2.2196 c1ccc(nc1)CCSC2CCCC2 62a_100015183660_100000179811 [0,0,0,0,2,0|2,0,0]=4 17056 B15R2.2196 c1ccn(c1)CCNC2CCCCC2 2230a_100000182618_200009811947 [0,0,0,0,2,0|1,0,0]=3 17057 B15R2.2196 c1ccn(c1)CCNC2CCCCC2 270004a_100011368172_100000210434 [0,0,0,0,2,0|1,0,0]=3 17058 B15R2.2196 c1ccn(c1)CCNC2CCCCC2 34a_100011368172_100000210327 [0,0,0,0,2,0|1,0,0]=3 17059 B15R2.2196 c1ccn(c1)CCNC2CCCOC2 2230a_100000719290_200009811947 [0,0,0,0,2,0|2,0,0]=4 17060 B15R2.2196 c1ccn(c1)CCNC2CCCOC2 270004a_100011368172_100000753404 [0,0,0,0,2,0|2,0,0]=4 17061 B15R2.2196 c1ccn(c1)CCNC2CCCOC2 34a_100011368172_100000693364 [0,0,0,0,2,0|2,0,0]=4 17062 B15R2.2196 c1ccn(c1)CCNC2CCCSC2 270004a_100011368172_100000057913 [0,0,0,0,2,0|2,0,0]=4 17063 B15R2.2196 c1ccn(c1)CCNC2CCNCC2 270004a_100011368172_100015192401 [0,0,0,0,2,0|2,0,0]=4 17064 B15R2.2196 c1ccn(c1)CCNC2CCOCC2 2230a_100000741149_200009811947 [0,0,0,0,2,0|2,0,0]=4 17065 B15R2.2196 c1ccn(c1)CCNC2CCOCC2 270004a_100011368172_100011217826 [0,0,0,0,2,0|2,0,0]=4 17066 B15R2.2196 c1ccn(c1)CCNC2CCSCC2 2230a_100000748639_200009811947 [0,0,0,0,2,0|2,0,0]=4 17067 B15R2.2196 c1ccn(c1)CCNC2CCSCC2 270004a_100011368172_100000203788 [0,0,0,0,2,0|2,0,0]=4 17068 B15R2.2196 c1ccn(c1)CCNC2CCSCC2 34a_100011368172_100000069128 [0,0,0,0,2,0|2,0,0]=4 17069 B15R2.2196 c1ccn(c1)CCOC2CCCCC2 34a_100000179382_100000210327 [0,0,0,0,2,0|2,0,0]=4 17070 B15R2.2196 c1ccn(c1)CCOC2CCCCC2 7a_100000210231_200000035178 [0,0,0,0,2,0|2,0,0]=4 17071 B15R2.2196 c1ccn(c1)CCSC2CCCCC2 62a_100000210327_200000035178 [0,0,0,0,2,0|2,0,0]=4 17072 B15R2.2196 c1ccn(c1)CCSC2CCCCC2 62a_200009811947_100000210327 [0,0,0,0,2,0|2,0,0]=4 17073 B15R2.2196 c1cn(cn1)CCNC2CCCCC2 270004a_100000230061_100000210434 [0,0,0,0,2,0|2,0,0]=4 17074 B15R2.2196 c1cnc(cn1)CCNC2CCCC2 270004a_100000723456_100000210133 [0,0,0,0,2,0|2,0,0]=4 17075 B15R2.2196 c1cncc(c1)CCNC2CCCC2 2230a_100000211070_200011713674 [0,0,0,0,2,0|1,0,0]=3 17076 B15R2.2196 c1cncc(c1)CCNC2CCCC2 2230a_100000736294_100000179811 [0,0,0,0,2,0|1,0,0]=3 17077 B15R2.2196 c1cncc(c1)CCNC2CCCC2 270004a_100000736294_100000210133 [0,0,0,0,2,0|1,0,0]=3 17078 B15R2.2196 c1cncc(c1)CCNC2CCOC2 2230a_100000736294_100000731011 [0,0,0,0,2,0|2,0,0]=4 17079 B15R2.2196 c1cncc(c1)CCNC2CCOC2 270004a_100000736294_100000752484 [0,0,0,0,2,0|2,0,0]=4 17080 B15R2.2196 c1cncc(c1)CCNC2CCSC2 270004a_100000736294_100000212027 [0,0,0,0,2,0|2,0,0]=4 17081 B15R2.2196 c1cncc(c1)CCN[C@@H]2CCOC2 2230a_200015188469_200011713674 [0,0,0,0,2,0|2,0,0]=4 17082 B15R2.2196 c1cncc(c1)CCN[C@H]2CCOC2 2230a_100015188467_200011713674 [0,0,0,0,2,0|2,0,0]=4 17083 B15R2.2196 c1cncc(c1)CCOC2CCCC2 34a_100011217484_100000179811 [0,0,0,0,2,0|2,0,0]=4 17084 B15R2.2196 c1cncc(c1)CCOC2CCCC2 7a_100000210269_200011713674 [0,0,0,0,2,0|2,0,0]=4 17085 B15R2.2196 c1cncc(c1)CCSC2CCCC2 62a_100011217020_200011713674 [0,0,0,0,2,0|2,0,0]=4 17086 B15R2.2196 c1cncc(c1)CCSC2CCCC2 62a_200011713674_100000179811 [0,0,0,0,2,0|2,0,0]=4 17087 B15R2.2196 c1cnn(c1)CCNC2CCCCC2 2230a_100000182618_100000685285 [0,0,0,0,2,0|2,0,0]=4 17088 B15R2.2196 c1cnn(c1)CCNC2CCCCC2 270004a_100011200920_100000210434 [0,0,0,0,2,0|2,0,0]=4 17089 B15R2.2196 c1cnn(c1)CCNC2CCCCC2 34a_100000182618_100015204718 [0,0,0,0,2,0|2,0,0]=4 17090 B15R2.2196 c1coc(c1)CCNC2CCCCC2 270004a_100000694680_100000210434 [0,0,0,0,2,0|1,0,0]=3 17091 B15R2.2196 c1coc(c1)CCNC2CCCCC2 34a_100000694680_100000210327 [0,0,0,0,2,0|1,0,0]=3 17092 B15R2.2196 c1coc(c1)CCNC2CCCOC2 270004a_100000694680_100000753404 [0,0,0,0,2,0|2,0,0]=4 17093 B15R2.2196 c1coc(c1)CCNC2CCCOC2 34a_100000694680_100000693364 [0,0,0,0,2,0|2,0,0]=4 17094 B15R2.2196 c1coc(c1)CCNC2CCCSC2 270004a_100000694680_100000057913 [0,0,0,0,2,0|2,0,0]=4 17095 B15R2.2196 c1coc(c1)CCNC2CCNCC2 270004a_100000694680_100015192401 [0,0,0,0,2,0|2,0,0]=4 17096 B15R2.2196 c1coc(c1)CCNC2CCOCC2 270004a_100000694680_100011217826 [0,0,0,0,2,0|2,0,0]=4 17097 B15R2.2196 c1coc(c1)CCNC2CCSCC2 270004a_100000694680_100000203788 [0,0,0,0,2,0|2,0,0]=4 17098 B15R2.2196 c1coc(c1)CCNC2CCSCC2 34a_100000694680_100000069128 [0,0,0,0,2,0|2,0,0]=4 17099 B15R2.2196 c1csc(c1)CCNC2CCCCC2 2230a_100000182618_100000748579 [0,0,0,0,2,0|1,0,0]=3 17100 B15R2.2196 c1csc(c1)CCNC2CCCCC2 270004a_100000203755_100000210434 [0,0,0,0,2,0|1,0,0]=3 17101 B15R2.2196 c1csc(c1)CCNC2CCCCC2 34a_100000182618_100000748579 [0,0,0,0,2,0|1,0,0]=3 17102 B15R2.2196 c1csc(c1)CCNC2CCCCC2 34a_100000203755_100000210327 [0,0,0,0,2,0|1,0,0]=3 17103 B15R2.2196 c1csc(c1)CCNC2CCCOC2 2230a_100000719290_100000748579 [0,0,0,0,2,0|2,0,0]=4 17104 B15R2.2196 c1csc(c1)CCNC2CCCOC2 270004a_100000203755_100000753404 [0,0,0,0,2,0|2,0,0]=4 17105 B15R2.2196 c1csc(c1)CCNC2CCCOC2 34a_100000203755_100000693364 [0,0,0,0,2,0|2,0,0]=4 17106 B15R2.2196 c1csc(c1)CCNC2CCCOC2 34a_100000719290_100000748579 [0,0,0,0,2,0|2,0,0]=4 17107 B15R2.2196 c1csc(c1)CCNC2CCCSC2 270004a_100000203755_100000057913 [0,0,0,0,2,0|2,0,0]=4 17108 B15R2.2196 c1csc(c1)CCNC2CCNCC2 270004a_100000203755_100015192401 [0,0,0,0,2,0|2,0,0]=4 17109 B15R2.2196 c1csc(c1)CCNC2CCOCC2 2230a_100000741149_100000748579 [0,0,0,0,2,0|2,0,0]=4 17110 B15R2.2196 c1csc(c1)CCNC2CCOCC2 270004a_100000203755_100011217826 [0,0,0,0,2,0|2,0,0]=4 17111 B15R2.2196 c1csc(c1)CCNC2CCOCC2 34a_100000741149_100000748579 [0,0,0,0,2,0|2,0,0]=4 17112 B15R2.2196 c1csc(c1)CCNC2CCSCC2 2230a_100000748639_100000748579 [0,0,0,0,2,0|2,0,0]=4 17113 B15R2.2196 c1csc(c1)CCNC2CCSCC2 270004a_100000203755_100000203788 [0,0,0,0,2,0|2,0,0]=4 17114 B15R2.2196 c1csc(c1)CCNC2CCSCC2 34a_100000203755_100000069128 [0,0,0,0,2,0|2,0,0]=4 17115 B15R2.2196 c1csc(c1)CCNC2CCSCC2 34a_100000748639_100000748579 [0,0,0,0,2,0|2,0,0]=4 17116 B15R2.2196 c1csc(c1)CCOC2CCCCC2 34a_100000210231_100000748579 [0,0,0,0,2,0|2,0,0]=4 17117 B15R2.2196 c1csc(c1)CCOC2CCCCC2 34a_100011216825_100000210327 [0,0,0,0,2,0|2,0,0]=4 17118 B15R2.2196 c1csc(c1)CCOC2CCCCC2 7a_100000210231_100000748579 [0,0,0,0,2,0|2,0,0]=4 17119 B15R2.2196 c1csc(c1)CCOC2CCCCC2 7a_100011216825_100000210327 [0,0,0,0,2,0|2,0,0]=4 17120 B15R2.2196 c1csc(c1)CCSC2CCCCC2 62a_100000210327_100000748579 [0,0,0,0,2,0|2,0,0]=4 17121 B15R2.2196 c1csc(c1)CCSC2CCCCC2 62a_100000748579_100000210327 [0,0,0,0,2,0|2,0,0]=4 17122 B15R2.2196 c1csc(n1)CCNC2CCCCC2 270004a_100015186391_100000210434 [0,0,0,0,2,0|2,0,0]=4 17123 B15R2.2196 c1n[nH]cc1CCNC2CCCCC2 2230a_100000182618_100000743252 [0,0,0,0,2,0|2,0,0]=4 17124 B15R2.2196 c1n[nH]cc1CCNC2CCCCC2 270004a_100000732747_100000210434 [0,0,0,0,2,0|2,0,0]=4 17125 B15R2.2196 c1nc(c[nH]1)CCNC2CCCCC2 2230a_100000182618_100020628418 [0,0,0,0,2,0|2,0,0]=4 17126 B15R2.2196 c1nc(c[nH]1)CCNC2CCCCC2 270004a_100000755092_100000210434 [0,0,0,0,2,0|2,0,0]=4 17127 B15R2.2196 c1ncc(s1)CCNC2CCCCC2 270004a_100016991637_100000210434 [0,0,0,0,2,0|2,0,0]=4 17128 B15R2.2167 c1cc(ccn1)CN2CCCCCC2 2230a_100000185865_100015193705 [0,0,0,0,2,0|2,0,0]=4 17129 B15R2.2167 c1cc(ccn1)CN2CCCCCC2 269982a_100000185865_100015193705 [0,0,0,0,2,0|2,0,0]=4 17130 B15R2.2167 c1cc(ccn1)OC2CCCCCC2 34a_100000212176_100011217769 [0,0,0,0,2,0|2,0,0]=4 17131 B15R2.2167 c1cc(ccn1)SC2CCCCCC2 62a_100000728582_100011217769 [0,0,0,0,2,0|2,0,0]=4 17132 B15R2.2167 c1cc(ccn1)SC2CCCCCC2 62a_100011217769_100000728582 [0,0,0,0,2,0|2,0,0]=4 17133 B15R2.2167 c1cc(ncn1)NC2CCCCCC2 27a_100000210984_100000703185 [0,0,0,0,2,0|2,0,0]=4 17134 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 2230a_100000185865_100015291786 [0,0,0,0,2,0|1,0,0]=3 17135 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 269982a_100000185865_100000211182 [0,0,0,0,2,0|1,0,0]=3 17136 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 270004a_100000185865_100015611070 [0,0,0,0,2,0|1,0,0]=3 17137 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 34a_100000185865_100015291786 [0,0,0,0,2,0|1,0,0]=3 17138 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 2230a_100000685342_100015291786 [0,0,0,0,2,0|2,0,0]=4 17139 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 269982a_100000685342_100000211182 [0,0,0,0,2,0|2,0,0]=4 17140 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 270004a_100000685342_100015611070 [0,0,0,0,2,0|2,0,0]=4 17141 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 34a_100000685342_100015291786 [0,0,0,0,2,0|2,0,0]=4 17142 B15R2.2167 c1ccc(cc1)NC2CCCCCC2 34a_100000106764_100011217769 [0,0,0,0,2,0|0,0,0]=2 17143 B15R2.2167 c1ccc(cc1)OC2CCCCCC2 34a_100000210340_100011217769 [0,0,0,0,2,0|1,0,0]=3 17144 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100000719477_100011217769 [0,0,0,0,2,0|1,0,0]=3 17145 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100011217769_100000041952 [0,0,0,0,2,0|1,0,0]=3 17146 B15R2.2167 c1ccc(nc1)CN2CCCCCC2 2230a_100000185865_100000721315 [0,0,0,0,2,0|2,0,0]=4 17147 B15R2.2167 c1ccc(nc1)CN2CCCCCC2 269982a_100000185865_100000721315 [0,0,0,0,2,0|2,0,0]=4 17148 B15R2.2167 c1ccc(nc1)CN2CCCCCC2 270004a_100000185865_100000209966 [0,0,0,0,2,0|2,0,0]=4 17149 B15R2.2167 c1ccc(nc1)CN2CCCCCC2 34a_100000185865_100000721315 [0,0,0,0,2,0|2,0,0]=4 17150 B15R2.2167 c1ccc(nc1)SC2CCCCCC2 62a_100011216584_100011217769 [0,0,0,0,2,0|2,0,0]=4 17151 B15R2.2167 c1ccc(nc1)SC2CCCCCC2 62a_100011217769_100011216584 [0,0,0,0,2,0|2,0,0]=4 17152 B15R2.2167 c1cnc(cn1)NC2CCCCCC2 27a_100000210984_100000211759 [0,0,0,0,2,0|2,0,0]=4 17153 B15R2.2167 c1cnc(nc1)NC2CCCCCC2 27a_100000210984_100000211032 [0,0,0,0,2,0|2,0,0]=4 17154 B15R2.2167 c1cncc(c1)CN2CCCCCC2 2230a_100000185865_100000741622 [0,0,0,0,2,0|2,0,0]=4 17155 B15R2.2167 c1cncc(c1)CN2CCCCCC2 269982a_100000185865_100000733263 [0,0,0,0,2,0|2,0,0]=4 17156 B15R2.2167 c1cncc(c1)CN2CCCCCC2 270004a_100000185865_100000209961 [0,0,0,0,2,0|2,0,0]=4 17157 B15R2.2167 c1cncc(c1)CN2CCCCCC2 34a_100000185865_100000733263 [0,0,0,0,2,0|2,0,0]=4 17158 B15R2.2167 c1cncc(c1)OC2CCCCCC2 34a_100000210849_100011217769 [0,0,0,0,2,0|2,0,0]=4 17159 B15R2.2167 c1cncc(c1)SC2CCCCCC2 62a_100000210063_100011217769 [0,0,0,0,2,0|2,0,0]=4 17160 B15R2.2167 c1cncc(c1)SC2CCCCCC2 62a_100011217769_100000210063 [0,0,0,0,2,0|2,0,0]=4 17161 B15R2.2167 c1cnnc(c1)NC2CCCCCC2 27a_100000210984_100016991348 [0,0,0,0,2,0|2,0,0]=4 17162 B15R2.3805 c1c[nH]c(n1)CNC2CCCCCC2 207a_100000210984_100000743867 [0,0,0,0,2,0|2,0,0]=4 17163 B15R2.3805 c1c[nH]c(n1)CNC2CCCCCC2 2230a_100000210984_100016991755 [0,0,0,0,2,0|2,0,0]=4 17164 B15R2.3805 c1c[nH]c(n1)CNC2CCCCCC2 270004a_100000754540_100000210131 [0,0,0,0,2,0|2,0,0]=4 17165 B15R2.3805 c1c[nH]c(n1)CNC2CCCCCC2 34a_100000210984_100016991755 [0,0,0,0,2,0|2,0,0]=4 17166 B15R2.3805 c1cc([nH]n1)CNC2CCCCCC2 2230a_100000210984_100000728653 [0,0,0,0,2,0|2,0,0]=4 17167 B15R2.3805 c1cc([nH]n1)CNC2CCCCCC2 34a_100000210984_100000728653 [0,0,0,0,2,0|2,0,0]=4 17168 B15R2.3805 c1cc(co1)CNC2CCCCCC2 207a_100000210984_100011215517 [0,0,0,0,2,0|1,0,0]=3 17169 B15R2.3805 c1cc(co1)CNC2CCCCCC2 270004a_100000210984_100011215517 [0,0,0,0,2,0|1,0,0]=3 17170 B15R2.3805 c1cc(co1)CNC2CCCCCC2 270004a_100015206860_100000210131 [0,0,0,0,2,0|1,0,0]=3 17171 B15R2.3805 c1cc(co1)CNC2CCCCCC2 34a_100015206860_100011217769 [0,0,0,0,2,0|1,0,0]=3 17172 B15R2.3805 c1cc(co1)CNC2CCCNCC2 270004a_100015206860_100015187895 [0,0,0,0,2,0|2,0,0]=4 17173 B15R2.3805 c1cc(co1)COC2CCCCCC2 34a_100011215357_100011217769 [0,0,0,0,2,0|2,0,0]=4 17174 B15R2.3805 c1cc(co1)SCC2CCCCCC2 62a_100011215275_200000696569 [0,0,0,0,2,0|2,0,0]=4 17175 B15R2.3805 c1cc(co1)SCC2CCCCCC2 62a_200000696569_100011215275 [0,0,0,0,2,0|2,0,0]=4 17176 B15R2.3805 c1cc(cs1)CNC2CCCCCC2 207a_100000210984_100000188534 [0,0,0,0,2,0|1,0,0]=3 17177 B15R2.3805 c1cc(cs1)CNC2CCCCCC2 2230a_100000210984_100011261437 [0,0,0,0,2,0|1,0,0]=3 17178 B15R2.3805 c1cc(cs1)CNC2CCCCCC2 270004a_100000186416_100000210131 [0,0,0,0,2,0|1,0,0]=3 17179 B15R2.3805 c1cc(cs1)CNC2CCCCCC2 270004a_100000210984_100000188534 [0,0,0,0,2,0|1,0,0]=3 17180 B15R2.3805 c1cc(cs1)CNC2CCCCCC2 34a_100000186416_100011217769 [0,0,0,0,2,0|1,0,0]=3 17181 B15R2.3805 c1cc(cs1)CNC2CCCCCC2 34a_100000210984_100011261437 [0,0,0,0,2,0|1,0,0]=3 17182 B15R2.3805 c1cc(cs1)CNC2CCCNCC2 270004a_100000186416_100015187895 [0,0,0,0,2,0|2,0,0]=4 17183 B15R2.3805 c1cc(cs1)COC2CCCCCC2 34a_100000210887_100011261437 [0,0,0,0,2,0|2,0,0]=4 17184 B15R2.3805 c1cc(cs1)COC2CCCCCC2 34a_100011215551_100011217769 [0,0,0,0,2,0|2,0,0]=4 17185 B15R2.3805 c1cc(cs1)COC2CCCCCC2 7a_100000210887_100011261437 [0,0,0,0,2,0|2,0,0]=4 17186 B15R2.3805 c1cc(cs1)CSC2CCCCCC2 62a_100011217769_100011233845 [0,0,0,0,2,0|2,0,0]=4 17187 B15R2.3805 c1cc(cs1)CSC2CCCCCC2 62a_100011261437_100011217769 [0,0,0,0,2,0|2,0,0]=4 17188 B15R2.3805 c1cc(cs1)OCC2CCCCCC2 34a_100000106738_200000696569 [0,0,0,0,2,0|2,0,0]=4 17189 B15R2.3805 c1cc(cs1)OCC2CCCCCC2 7a_100000106738_200000696569 [0,0,0,0,2,0|2,0,0]=4 17190 B15R2.3805 c1cc(cs1)SCC2CCCCCC2 62a_100000738268_200000696569 [0,0,0,0,2,0|2,0,0]=4 17191 B15R2.3805 c1cc(cs1)SCC2CCCCCC2 62a_200000696569_100000738268 [0,0,0,0,2,0|2,0,0]=4 17192 B15R2.3805 c1cc(n[nH]1)CNC2CCCCCC2 207a_100000210984_100000738523 [0,0,0,0,2,0|2,0,0]=4 17193 B15R2.3805 c1cc(n[nH]1)CNC2CCCCCC2 270004a_100000210984_100000738523 [0,0,0,0,2,0|2,0,0]=4 17194 B15R2.3805 c1cc(no1)CNC2CCCCCC2 2230a_100000210984_100000234950 [0,0,0,0,2,0|2,0,0]=4 17195 B15R2.3805 c1cc(no1)CNC2CCCCCC2 270004a_100000688301_100000210131 [0,0,0,0,2,0|2,0,0]=4 17196 B15R2.3805 c1cc(no1)CNC2CCCCCC2 34a_100000210984_100000234950 [0,0,0,0,2,0|2,0,0]=4 17197 B15R2.3805 c1ccn(c1)CCN2CCCCCC2 2230a_100000185865_200009811947 [0,0,0,0,2,0|2,0,0]=4 17198 B15R2.3805 c1ccn(c1)CCN2CCCCCC2 269982a_100000185865_200000035178 [0,0,0,0,2,0|2,0,0]=4 17199 B15R2.3805 c1coc(c1)CNC2CCCCCC2 207a_100000210984_100000186105 [0,0,0,0,2,0|1,0,0]=3 17200 B15R2.3805 c1coc(c1)CNC2CCCCCC2 270004a_100000185738_100000210131 [0,0,0,0,2,0|1,0,0]=3 17201 B15R2.3805 c1coc(c1)CNC2CCCCCC2 270004a_100000210984_100000186105 [0,0,0,0,2,0|1,0,0]=3 17202 B15R2.3805 c1coc(c1)CNC2CCCCCC2 34a_100000185738_100011217769 [0,0,0,0,2,0|1,0,0]=3 17203 B15R2.3805 c1coc(c1)CNC2CCCNCC2 270004a_100000185738_100015187895 [0,0,0,0,2,0|2,0,0]=4 17204 B15R2.3805 c1coc(c1)COC2CCCCCC2 34a_100000210059_100011217769 [0,0,0,0,2,0|2,0,0]=4 17205 B15R2.3805 c1coc(c1)SCC2CCCCCC2 62a_100009814098_200000696569 [0,0,0,0,2,0|2,0,0]=4 17206 B15R2.3805 c1coc(c1)SCC2CCCCCC2 62a_200000696569_100009814098 [0,0,0,0,2,0|2,0,0]=4 17207 B15R2.3805 c1coc(n1)CNC2CCCCCC2 2230a_100000210984_103436540062 [0,0,0,0,2,0|2,0,0]=4 17208 B15R2.3805 c1coc(n1)CNC2CCCCCC2 270004a_100000210984_100000064290 [0,0,0,0,2,0|2,0,0]=4 17209 B15R2.3805 c1coc(n1)CNC2CCCCCC2 34a_100000210984_103436540062 [0,0,0,0,2,0|2,0,0]=4 17210 B15R2.3805 c1csc(c1)CCN2CCCCCC2 2230a_100000185865_100000748579 [0,0,0,0,2,0|2,0,0]=4 17211 B15R2.3805 c1csc(c1)CCN2CCCCCC2 269982a_100000185865_100000748579 [0,0,0,0,2,0|2,0,0]=4 17212 B15R2.3805 c1csc(c1)CCN2CCCCCC2 34a_100000185865_100000748579 [0,0,0,0,2,0|2,0,0]=4 17213 B15R2.3805 c1csc(c1)CNC2CCCCCC2 207a_100000210984_100000209959 [0,0,0,0,2,0|1,0,0]=3 17214 B15R2.3805 c1csc(c1)CNC2CCCCCC2 270004a_100000210984_100000209959 [0,0,0,0,2,0|1,0,0]=3 17215 B15R2.3805 c1csc(c1)CNC2CCCCCC2 270004a_100000211653_100000210131 [0,0,0,0,2,0|1,0,0]=3 17216 B15R2.3805 c1csc(c1)CNC2CCCNCC2 270004a_100000211653_100015187895 [0,0,0,0,2,0|2,0,0]=4 17217 B15R2.3805 c1csc(c1)COC2CCCCCC2 34a_100000211240_100011217769 [0,0,0,0,2,0|2,0,0]=4 17218 B15R2.3805 c1csc(c1)SCC2CCCCCC2 62a_100011215356_200000696569 [0,0,0,0,2,0|2,0,0]=4 17219 B15R2.3805 c1csc(c1)SCC2CCCCCC2 62a_200000696569_100011215356 [0,0,0,0,2,0|2,0,0]=4 17220 B15R2.3805 c1csc(n1)CNC2CCCCCC2 207a_100000210984_100000750902 [0,0,0,0,2,0|2,0,0]=4 17221 B15R2.3805 c1csc(n1)CNC2CCCCCC2 2230a_100000210984_100015184050 [0,0,0,0,2,0|2,0,0]=4 17222 B15R2.3805 c1csc(n1)CNC2CCCCCC2 270004a_100000210984_100000750902 [0,0,0,0,2,0|2,0,0]=4 17223 B15R2.3805 c1csc(n1)CNC2CCCCCC2 270004a_100000740555_100000210131 [0,0,0,0,2,0|2,0,0]=4 17224 B15R2.3805 c1csc(n1)CNC2CCCCCC2 34a_100000210984_100015184050 [0,0,0,0,2,0|2,0,0]=4 17225 B15R2.3805 c1n[nH]cc1CNC2CCCCCC2 207a_100000210984_100016992096 [0,0,0,0,2,0|2,0,0]=4 17226 B15R2.3805 c1n[nH]cc1CNC2CCCCCC2 270004a_100000210984_100016992096 [0,0,0,0,2,0|2,0,0]=4 17227 B15R2.3805 c1n[nH]cc1CNC2CCCCCC2 270004a_100000737208_100000210131 [0,0,0,0,2,0|2,0,0]=4 17228 B15R2.3805 c1nc(c[nH]1)CNC2CCCCCC2 2230a_100000210984_100000707719 [0,0,0,0,2,0|2,0,0]=4 17229 B15R2.3805 c1nc(c[nH]1)CNC2CCCCCC2 34a_100000210984_100000707719 [0,0,0,0,2,0|2,0,0]=4 17230 B15R2.3805 c1nc(co1)CNC2CCCCCC2 270004a_100000210984_100000050382 [0,0,0,0,2,0|2,0,0]=4 17231 B15R2.3805 c1nc(co1)CNC2CCCCCC2 270004a_100015188801_100000210131 [0,0,0,0,2,0|2,0,0]=4 17232 B15R2.3805 c1nc(cs1)CNC2CCCCCC2 207a_100000210984_100000743575 [0,0,0,0,2,0|2,0,0]=4 17233 B15R2.3805 c1nc(cs1)CNC2CCCCCC2 2230a_100000210984_100000205941 [0,0,0,0,2,0|2,0,0]=4 17234 B15R2.3805 c1nc(cs1)CNC2CCCCCC2 270004a_100000210984_100000743575 [0,0,0,0,2,0|2,0,0]=4 17235 B15R2.3805 c1nc(cs1)CNC2CCCCCC2 34a_100000210984_100000205941 [0,0,0,0,2,0|2,0,0]=4 17236 B15R2.3805 c1ncc([nH]1)CNC2CCCCCC2 207a_100000210984_100000742939 [0,0,0,0,2,0|2,0,0]=4 17237 B15R2.3805 c1ncc(o1)CNC2CCCCCC2 270004a_100000210984_100000064291 [0,0,0,0,2,0|2,0,0]=4 17238 B15R2.3805 c1ncc(o1)CNC2CCCCCC2 270004a_100020634212_100000210131 [0,0,0,0,2,0|2,0,0]=4 17239 B15R2.3805 c1ncc(s1)CNC2CCCCCC2 207a_100000210984_100000749870 [0,0,0,0,2,0|2,0,0]=4 17240 B15R2.3805 c1ncc(s1)CNC2CCCCCC2 2230a_100000210984_100015185245 [0,0,0,0,2,0|2,0,0]=4 17241 B15R2.3805 c1ncc(s1)CNC2CCCCCC2 270004a_100000210984_100000749870 [0,0,0,0,2,0|2,0,0]=4 17242 B15R2.3805 c1ncc(s1)CNC2CCCCCC2 270004a_100016987365_100000210131 [0,0,0,0,2,0|2,0,0]=4 17243 B15R2.3805 c1ncc(s1)CNC2CCCCCC2 34a_100000210984_100015185245 [0,0,0,0,2,0|2,0,0]=4 17244 B17R1.4049 CCC/C=C(\CC)/CNCCc1ccccc1 269862a_100000106460_100020616858 [0,0,1,0,0,1|0,0,2]=4 17245 B17R1.4049 CCCCC(=NNCCc1ccccc1)CC 4a_100000740470_100000753412 [0,0,1,0,0,1|0,0,1]=3 17246 B17R1.4049 CCCCC(C=NNCc1ccccc1)CC 4a_100000007032_100011219736 [0,0,1,0,0,1|1,0,1]=4 17247 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 2230a_100000106460_100000211942 [0,0,1,0,0,1|0,0,0]=2 17248 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 2230a_100000209976_100000765856 [0,0,1,0,0,1|0,0,0]=2 17249 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 269862a_100000106460_100011219736 [0,0,1,0,0,1|0,0,0]=2 17250 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 270004a_100000106460_100011219736 [0,0,1,0,0,1|0,0,0]=2 17251 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 34a_100000106460_100000211942 [0,0,1,0,0,1|0,0,0]=2 17252 B17R1.4049 CCCCC(CC)CNCCc1ccccn1 2230a_100000209976_100015183660 [0,0,1,0,0,1|1,0,0]=3 17253 B17R1.4049 CCCCC(CC)CNCCc1ccccn1 269862a_100000211156_100011219736 [0,0,1,0,0,1|1,0,0]=3 17254 B17R1.4049 CCCCC(CC)CNCCc1ccccn1 270004a_100000211156_100011219736 [0,0,1,0,0,1|1,0,0]=3 17255 B17R1.4049 CCCCC(CC)CNCCc1cccnc1 2230a_100000209976_200011713674 [0,0,1,0,0,1|1,0,0]=3 17256 B17R1.4049 CCCCC(CC)CNCCc1cccnc1 2230a_100000736294_100000211942 [0,0,1,0,0,1|1,0,0]=3 17257 B17R1.4049 CCCCC(CC)CNCCc1cccnc1 269862a_100000736294_100011219736 [0,0,1,0,0,1|1,0,0]=3 17258 B17R1.4049 CCCCC(CC)CNCCc1cccnc1 270004a_100000736294_100011219736 [0,0,1,0,0,1|1,0,0]=3 17259 B17R1.4049 CCCCC(CC)CNCCc1ccncc1 2230a_100000209976_100000723409 [0,0,1,0,0,1|1,0,0]=3 17260 B17R1.4049 CCCCC(CC)CNCCc1ccncc1 269862a_100000742849_100011219736 [0,0,1,0,0,1|1,0,0]=3 17261 B17R1.4049 CCCCC(CC)CNCCc1ccncc1 270004a_100000742849_100011219736 [0,0,1,0,0,1|1,0,0]=3 17262 B17R1.4049 CCCCC(CC)CNCCc1cnccn1 269862a_100000723456_100011219736 [0,0,1,0,0,1|2,0,0]=4 17263 B17R1.4049 CCCCC(CC)CNCCc1cnccn1 270004a_100000723456_100011219736 [0,0,1,0,0,1|2,0,0]=4 17264 B17R1.4049 CCCCC(CC)CNCSc1ccccc1 2230a_100000209976_100011218342 [0,0,1,0,0,1|1,0,0]=3 17265 B17R1.4049 CCCCC(CC)COCCc1ccccc1 34a_100000210268_100000211942 [0,0,1,0,0,1|1,0,0]=3 17266 B17R1.4049 CCCCC(CC)COCCc1ccccc1 34a_100000210273_100000765856 [0,0,1,0,0,1|1,0,0]=3 17267 B17R1.4049 CCCCC(CC)COCCc1ccccc1 7a_100000210268_100000211942 [0,0,1,0,0,1|1,0,0]=3 17268 B17R1.4049 CCCCC(CC)COCCc1ccccc1 7a_100000210273_100000765856 [0,0,1,0,0,1|1,0,0]=3 17269 B17R1.4049 CCCCC(CC)COCCc1ccccn1 34a_100000210271_100000211942 [0,0,1,0,0,1|2,0,0]=4 17270 B17R1.4049 CCCCC(CC)COCCc1ccccn1 7a_100000210273_100015183660 [0,0,1,0,0,1|2,0,0]=4 17271 B17R1.4049 CCCCC(CC)COCCc1cccnc1 34a_100011217484_100000211942 [0,0,1,0,0,1|2,0,0]=4 17272 B17R1.4049 CCCCC(CC)COCCc1cccnc1 7a_100000210273_200011713674 [0,0,1,0,0,1|2,0,0]=4 17273 B17R1.4049 CCCCC(CC)COCCc1ccncc1 34a_100011216225_100000211942 [0,0,1,0,0,1|2,0,0]=4 17274 B17R1.4049 CCCCC(CC)COCCc1ccncc1 7a_100000210273_100000723409 [0,0,1,0,0,1|2,0,0]=4 17275 B17R1.4049 CCCCC(CC)CSCCc1ccccc1 62a_100000211942_100011218657 [0,0,1,0,0,1|1,0,0]=3 17276 B17R1.4049 CCCCC(CC)CSCCc1ccccc1 62a_100000765856_100000211942 [0,0,1,0,0,1|1,0,0]=3 17277 B17R1.4049 CCCCC(CC)CSCCc1ccccn1 62a_100000211942_100015183660 [0,0,1,0,0,1|2,0,0]=4 17278 B17R1.4049 CCCCC(CC)CSCCc1ccccn1 62a_100015183660_100000211942 [0,0,1,0,0,1|2,0,0]=4 17279 B17R1.4049 CCCCC(CC)CSCCc1cccnc1 62a_100000211942_200011713674 [0,0,1,0,0,1|2,0,0]=4 17280 B17R1.4049 CCCCC(CC)CSCCc1cccnc1 62a_200011713674_100000211942 [0,0,1,0,0,1|2,0,0]=4 17281 B17R1.4049 CCCCC(CC)CSCCc1ccncc1 62a_100000211942_100000723409 [0,0,1,0,0,1|2,0,0]=4 17282 B17R1.4049 CCCCC(CC)CSCCc1ccncc1 62a_100000723409_100000211942 [0,0,1,0,0,1|2,0,0]=4 17283 B17R1.4049 CCCCC(CC)CSCSc1ccccc1 62a_100000211942_100011218342 [0,0,1,0,0,1|2,0,0]=4 17284 B17R1.4049 CCCCC(CC)CSCSc1ccccc1 62a_100011218342_100000211942 [0,0,1,0,0,1|2,0,0]=4 17285 B17R1.4049 CCCCC(CC)NC/C=C/c1ccccc1 270004a_100020603302_100000753412 [0,0,1,0,0,1|0,0,1]=3 17286 B17R1.4049 CCCCC(CC)NC/C=C/c1ccccc1 34a_100020603302_200011216223 [0,0,1,0,0,1|0,0,1]=3 17287 B17R1.4049 CCCCC(CC)NCC#Cc1ccccc1 34a_100000735379_200011216223 [0,0,1,0,0,1|0,0,1]=3 17288 B17R1.4049 CCCCC(CC)NCCCc1ccccc1 270004a_100000211184_100000753412 [0,0,1,0,0,1|0,0,0]=2 17289 B17R1.4049 CCCCC(CC)NCCCc1ccccc1 34a_100000211184_200011216223 [0,0,1,0,0,1|0,0,0]=2 17290 B17R1.4049 CCCCC(CC)NCCCc1ccccn1 270004a_100000689020_100000753412 [0,0,1,0,0,1|1,0,0]=3 17291 B17R1.4049 CCCCC(CC)NCCCc1cccnc1 270004a_100011532358_100000753412 [0,0,1,0,0,1|1,0,0]=3 17292 B17R1.4049 CCCCC(CC)NCCCc1cccnc1 34a_100011532358_200011216223 [0,0,1,0,0,1|1,0,0]=3 17293 B17R1.4049 CCCCC(CC)NCCCc1ccncc1 270004a_100011275580_100000753412 [0,0,1,0,0,1|1,0,0]=3 17294 B17R1.4049 CCCCC(CC)NCCOc1ccccc1 270004a_100000174943_100000753412 [0,0,1,0,0,1|0,0,0]=2 17295 B17R1.4049 CCCCC(CC)NCCOc1ccccc1 34a_100000174943_200011216223 [0,0,1,0,0,1|0,0,0]=2 17296 B17R1.4049 CCCCC(CC)NCCOc1ccccn1 270004a_106741647558_100000753412 [0,0,1,0,0,1|1,0,0]=3 17297 B17R1.4049 CCCCC(CC)NCCOc1cccnc1 270004a_100000754688_100000753412 [0,0,1,0,0,1|1,0,0]=3 17298 B17R1.4049 CCCCC(CC)NCCOc1ccncc1 270004a_100025717301_100000753412 [0,0,1,0,0,1|1,0,0]=3 17299 B17R1.4049 CCCCC(CC)NCCSc1ccccc1 270004a_100000189519_100000753412 [0,0,1,0,0,1|0,0,0]=2 17300 B17R1.4049 CCCCC(CC)OC/C=C/c1ccccc1 34a_100000210256_200011216223 [0,0,1,0,0,1|1,0,1]=4 17301 B17R1.4049 CCCCC(CC)OC/C=C/c1ccccc1 34a_100011215227_100016265936 [0,0,1,0,0,1|1,0,1]=4 17302 B17R1.4049 CCCCC(CC)OC/C=C/c1ccccc1 7a_100011215227_100016265936 [0,0,1,0,0,1|1,0,1]=4 17303 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 34a_100011215227_100011352542 [0,0,1,0,0,1|1,0,1]=4 17304 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 34a_100011217464_200011216223 [0,0,1,0,0,1|1,0,1]=4 17305 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 7a_100011215227_100011352542 [0,0,1,0,0,1|1,0,1]=4 17306 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 7a_100011217464_200011216223 [0,0,1,0,0,1|1,0,1]=4 17307 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 34a_100000210828_200011216223 [0,0,1,0,0,1|1,0,0]=3 17308 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 34a_100011215227_100000211621 [0,0,1,0,0,1|1,0,0]=3 17309 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 7a_100000210828_200011216223 [0,0,1,0,0,1|1,0,0]=3 17310 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 7a_100011215227_100000211621 [0,0,1,0,0,1|1,0,0]=3 17311 B17R1.4049 CCCCC(CC)OCCCc1ccccn1 34a_100011215068_200011216223 [0,0,1,0,0,1|2,0,0]=4 17312 B17R1.4049 CCCCC(CC)OCCCc1cccnc1 34a_100000211284_200011216223 [0,0,1,0,0,1|2,0,0]=4 17313 B17R1.4049 CCCCC(CC)OCCCc1ccncc1 34a_100000210659_200011216223 [0,0,1,0,0,1|2,0,0]=4 17314 B17R1.4049 CCCCC(CC)OCCNc1ccccc1 34a_100000211345_200011216223 [0,0,1,0,0,1|1,0,0]=3 17315 B17R1.4049 CCCCC(CC)OCCNc1ccncc1 34a_200011243140_200011216223 [0,0,1,0,0,1|2,0,0]=4 17316 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 34a_100000210260_200011216223 [0,0,1,0,0,1|1,0,0]=3 17317 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 34a_100011215227_100000184471 [0,0,1,0,0,1|1,0,0]=3 17318 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 7a_100000210260_200011216223 [0,0,1,0,0,1|1,0,0]=3 17319 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 7a_100011215227_100000184471 [0,0,1,0,0,1|1,0,0]=3 17320 B17R1.4049 CCCCC(CC)OCCSc1ccccc1 34a_100011215227_100000246102 [0,0,1,0,0,1|1,0,0]=3 17321 B17R1.4049 CCCCC(CC)OCCSc1ccccc1 7a_100000230494_200011216223 [0,0,1,0,0,1|1,0,0]=3 17322 B17R1.4049 CCCCC(CC)OCCSc1ccccc1 7a_100011215227_100000246102 [0,0,1,0,0,1|1,0,0]=3 17323 B17R1.4049 CCCCC(CC)OCCSc1ccccn1 7a_100000156319_200011216223 [0,0,1,0,0,1|2,0,0]=4 17324 B17R1.4049 CCCCC(CC)OCOCc1ccccc1 34a_100011215227_100000763385 [0,0,1,0,0,1|1,0,0]=3 17325 B17R1.4049 CCCCC(CC)OCSCc1ccccc1 34a_100011215227_200011217039 [0,0,1,0,0,1|1,0,0]=3 17326 B17R1.4049 CCCCC(CC)SC/C=C/c1ccccc1 62a_100016265936_200011216223 [0,0,1,0,0,1|1,0,1]=4 17327 B17R1.4049 CCCCC(CC)SC/C=C/c1ccccc1 62a_200011216223_100016265936 [0,0,1,0,0,1|1,0,1]=4 17328 B17R1.4049 CCCCC(CC)SCC#Cc1ccccc1 62a_200011216223_100011352542 [0,0,1,0,0,1|1,0,1]=4 17329 B17R1.4049 CCCCC(CC)SCCCc1ccccc1 62a_100000211621_200011216223 [0,0,1,0,0,1|1,0,0]=3 17330 B17R1.4049 CCCCC(CC)SCCCc1ccccc1 62a_200011216223_100000211621 [0,0,1,0,0,1|1,0,0]=3 17331 B17R1.4049 CCCCC(CC)SCCOc1ccccc1 62a_100000184471_200011216223 [0,0,1,0,0,1|1,0,0]=3 17332 B17R1.4049 CCCCC(CC)SCCOc1ccccc1 62a_200011216223_100000184471 [0,0,1,0,0,1|1,0,0]=3 17333 B17R1.4049 CCCCC(CC)SCCSc1ccccc1 62a_100000246102_200011216223 [0,0,1,0,0,1|1,0,0]=3 17334 B17R1.4049 CCCCC(CC)SCCSc1ccccc1 62a_200011216223_100000246102 [0,0,1,0,0,1|1,0,0]=3 17335 B17R1.4049 CCCCC(CC)SCOCc1ccccc1 62a_100000763385_200011216223 [0,0,1,0,0,1|1,0,0]=3 17336 B17R1.4049 CCCCC(CC)SCOCc1ccccc1 62a_200011216223_100000763385 [0,0,1,0,0,1|1,0,0]=3 17337 B17R1.4049 CCCCC(CC)SCSCc1ccccc1 62a_200011216223_200011217039 [0,0,1,0,0,1|1,0,0]=3 17338 B17R1.4049 CCCCC(CC)SCSCc1ccccc1 62a_200011217039_200011216223 [0,0,1,0,0,1|1,0,0]=3 17339 B17R1.4049 CCCCN(CC)CCCCc1ccccc1 2230a_100000207695_100000701786 [0,0,1,0,0,1|2,0,0]=4 17340 B17R1.4049 CCCCN(CC)CCCCc1ccccc1 269982a_100000207695_100000701786 [0,0,1,0,0,1|2,0,0]=4 17341 B17R1.4049 CCCCN(CC)CCCOc1ccccc1 2230a_100000207695_100000199009 [0,0,1,0,0,1|2,0,0]=4 17342 B17R1.4049 CCCCN(CC)CCCOc1ccccc1 269982a_100000207695_100000199009 [0,0,1,0,0,1|2,0,0]=4 17343 B17R1.4049 CCCCN(CC)CCCSc1ccccc1 2230a_100000207695_200011203293 [0,0,1,0,0,1|2,0,0]=4 17344 B17R1.4049 CCCCN(CC)CCCSc1ccccc1 269982a_100000207695_200011203293 [0,0,1,0,0,1|2,0,0]=4 17345 B17R1.4049 CCCCN(CC)CCNCc1ccccc1 207a_200011208488_100015611070 [0,0,1,0,0,1|2,0,0]=4 17346 B17R1.4049 CCCCN(CC)CCNCc1ccccc1 2230a_200011208488_100015291786 [0,0,1,0,0,1|2,0,0]=4 17347 B17R1.4049 CCCCN(CC)CCNCc1ccccc1 270004a_200011208488_100015611070 [0,0,1,0,0,1|2,0,0]=4 17348 B17R1.4049 CCCCN(CC)CCOCc1ccccc1 2230a_100000207695_100000234347 [0,0,1,0,0,1|2,0,0]=4 17349 B17R1.4049 CCCCN(CC)CCOCc1ccccc1 269982a_100000207695_100000234347 [0,0,1,0,0,1|2,0,0]=4 17350 B17R1.4049 CCCCN(CC)CCSCc1ccccc1 2230a_100000207695_200011297719 [0,0,1,0,0,1|2,0,0]=4 17351 B17R1.4049 CCCCN(CC)CCSCc1ccccc1 269982a_100000207695_200011297719 [0,0,1,0,0,1|2,0,0]=4 17352 B17R1.4049 CCCC[C@@H](CO)NC/C=C/c1ccccc1 2230a_100011934283_100016265936 [0,0,1,0,0,1|1,0,1]=4 17353 B17R1.4049 CCCC[C@@H](CO)NC/C=C/c1ccccc1 34a_100011934283_100016265936 [0,0,1,0,0,1|1,0,1]=4 17354 B17R1.4049 CCCC[C@@H](CO)NCC#Cc1ccccc1 2230a_100011934283_100011352542 [0,0,1,0,0,1|1,0,1]=4 17355 B17R1.4049 CCCC[C@@H](CO)NCC#Cc1ccccc1 34a_100011934283_100011352542 [0,0,1,0,0,1|1,0,1]=4 17356 B17R1.4049 CCCC[C@@H](CO)NCC=Cc1ccccc1 270004a_100011934283_100000210105 [0,0,1,0,0,1|1,0,1]=4 17357 B17R1.4049 CCCC[C@@H](CO)NCCCc1ccccc1 2230a_100011934283_100000211621 [0,0,1,0,0,1|1,0,0]=3 17358 B17R1.4049 CCCC[C@@H](CO)NCCCc1ccccc1 34a_100011934283_100000211621 [0,0,1,0,0,1|1,0,0]=3 17359 B17R1.4049 CCCC[C@@H](CO)NCCOc1ccccc1 2230a_100011934283_100000184471 [0,0,1,0,0,1|1,0,0]=3 17360 B17R1.4049 CCCC[C@@H](CO)NCCOc1ccccc1 270004a_100011934283_100000758736 [0,0,1,0,0,1|1,0,0]=3 17361 B17R1.4049 CCCC[C@@H](CO)NCCOc1ccccc1 34a_100011934283_100000184471 [0,0,1,0,0,1|1,0,0]=3 17362 B17R1.4049 CCCC[C@@H](CO)NCCSc1ccccc1 2230a_100011934283_100000246102 [0,0,1,0,0,1|1,0,0]=3 17363 B17R1.4049 CCCC[C@@H](CO)NCCSc1ccccc1 34a_100011934283_100000246102 [0,0,1,0,0,1|1,0,0]=3 17364 B17R1.4049 CCCC[C@@H](CO)NCOCc1ccccc1 2230a_100011934283_100000763385 [0,0,1,0,0,1|1,0,0]=3 17365 B17R1.4049 CCCC[C@@H](CO)NCOCc1ccccc1 34a_100011934283_100000763385 [0,0,1,0,0,1|1,0,0]=3 17366 B17R1.4049 CCCC[C@@H](CO)NCSCc1ccccc1 2230a_100011934283_200011217039 [0,0,1,0,0,1|1,0,0]=3 17367 B17R1.4049 CCCC[C@@H](CO)NCSCc1ccccc1 34a_100011934283_200011217039 [0,0,1,0,0,1|1,0,0]=3 17368 B17R1.4049 CSCC[C@@H](CO)NCCCc1ccccc1 2230a_100011827619_100000211621 [0,0,1,0,0,1|2,0,0]=4 17369 B17R1.4049 CSCC[C@@H](CO)NCCOc1ccccc1 2230a_100011827619_100000184471 [0,0,1,0,0,1|2,0,0]=4 17370 B17R1.4049 CSCC[C@@H](CO)NCCOc1ccccc1 270004a_100011827619_100000758736 [0,0,1,0,0,1|2,0,0]=4 17371 B17R1.4049 CSCC[C@@H](CO)NCCSc1ccccc1 2230a_100011827619_100000246102 [0,0,1,0,0,1|2,0,0]=4 17372 B17R1.4049 CSCC[C@@H](CO)NCOCc1ccccc1 2230a_100011827619_100000763385 [0,0,1,0,0,1|2,0,0]=4 17373 B17R1.4049 CSCC[C@@H](CO)NCSCc1ccccc1 2230a_100011827619_200011217039 [0,0,1,0,0,1|2,0,0]=4 17374 B17R1.18598 CCCC(=NNCCc1ccccc1)CCC 4a_100000740470_100000210088 [0,0,1,0,0,1|0,0,1]=3 17375 B17R1.18598 CCCC(CCC)COCCc1ccccc1 34a_200011215456_100000765856 [0,0,1,0,0,1|1,0,0]=3 17376 B17R1.18598 CCCC(CCC)COCCc1ccccc1 7a_200011215456_100000765856 [0,0,1,0,0,1|1,0,0]=3 17377 B17R1.18598 CCCC(CCC)COCCc1ccccn1 7a_200011215456_100015183660 [0,0,1,0,0,1|2,0,0]=4 17378 B17R1.18598 CCCC(CCC)COCCc1cccnc1 7a_200011215456_200011713674 [0,0,1,0,0,1|2,0,0]=4 17379 B17R1.18598 CCCC(CCC)COCCc1ccncc1 7a_200011215456_100000723409 [0,0,1,0,0,1|2,0,0]=4 17380 B17R1.18598 CCCC(CCC)NC/C=C/c1ccccc1 2230a_100011207992_100016265936 [0,0,1,0,0,1|0,0,1]=3 17381 B17R1.18598 CCCC(CCC)NC/C=C/c1ccccc1 270004a_100020603302_100000210088 [0,0,1,0,0,1|0,0,1]=3 17382 B17R1.18598 CCCC(CCC)NC/C=C/c1ccccc1 34a_100011207992_100016265936 [0,0,1,0,0,1|0,0,1]=3 17383 B17R1.18598 CCCC(CCC)NC/C=C/c1ccccc1 34a_100020603302_200011218217 [0,0,1,0,0,1|0,0,1]=3 17384 B17R1.18598 CCCC(CCC)NCC#Cc1ccccc1 2230a_100011207992_100011352542 [0,0,1,0,0,1|0,0,1]=3 17385 B17R1.18598 CCCC(CCC)NCC#Cc1ccccc1 34a_100000735379_200011218217 [0,0,1,0,0,1|0,0,1]=3 17386 B17R1.18598 CCCC(CCC)NCC#Cc1ccccc1 34a_100011207992_100011352542 [0,0,1,0,0,1|0,0,1]=3 17387 B17R1.18598 CCCC(CCC)NCC=Cc1ccccc1 270004a_100011207992_100000210105 [0,0,1,0,0,1|0,0,1]=3 17388 B17R1.18598 CCCC(CCC)NCCCc1ccccc1 2230a_100011207992_100000211621 [0,0,1,0,0,1|0,0,0]=2 17389 B17R1.18598 CCCC(CCC)NCCCc1ccccc1 270004a_100000211184_100000210088 [0,0,1,0,0,1|0,0,0]=2 17390 B17R1.18598 CCCC(CCC)NCCCc1ccccc1 34a_100000211184_200011218217 [0,0,1,0,0,1|0,0,0]=2 17391 B17R1.18598 CCCC(CCC)NCCCc1ccccc1 34a_100011207992_100000211621 [0,0,1,0,0,1|0,0,0]=2 17392 B17R1.18598 CCCC(CCC)NCCCc1ccccn1 270004a_100000689020_100000210088 [0,0,1,0,0,1|1,0,0]=3 17393 B17R1.18598 CCCC(CCC)NCCCc1cccnc1 270004a_100011532358_100000210088 [0,0,1,0,0,1|1,0,0]=3 17394 B17R1.18598 CCCC(CCC)NCCCc1cccnc1 34a_100011532358_200011218217 [0,0,1,0,0,1|1,0,0]=3 17395 B17R1.18598 CCCC(CCC)NCCCc1ccncc1 270004a_100011275580_100000210088 [0,0,1,0,0,1|1,0,0]=3 17396 B17R1.18598 CCCC(CCC)NCCOc1ccccc1 2230a_100011207992_100000184471 [0,0,1,0,0,1|0,0,0]=2 17397 B17R1.18598 CCCC(CCC)NCCOc1ccccc1 270004a_100000174943_100000210088 [0,0,1,0,0,1|0,0,0]=2 17398 B17R1.18598 CCCC(CCC)NCCOc1ccccc1 270004a_100011207992_100000758736 [0,0,1,0,0,1|0,0,0]=2 17399 B17R1.18598 CCCC(CCC)NCCOc1ccccc1 34a_100000174943_200011218217 [0,0,1,0,0,1|0,0,0]=2 17400 B17R1.18598 CCCC(CCC)NCCOc1ccccc1 34a_100011207992_100000184471 [0,0,1,0,0,1|0,0,0]=2 17401 B17R1.18598 CCCC(CCC)NCCOc1ccccn1 270004a_106741647558_100000210088 [0,0,1,0,0,1|1,0,0]=3 17402 B17R1.18598 CCCC(CCC)NCCOc1cccnc1 270004a_100000754688_100000210088 [0,0,1,0,0,1|1,0,0]=3 17403 B17R1.18598 CCCC(CCC)NCCOc1ccncc1 270004a_100025717301_100000210088 [0,0,1,0,0,1|1,0,0]=3 17404 B17R1.18598 CCCC(CCC)NCCSc1ccccc1 2230a_100011207992_100000246102 [0,0,1,0,0,1|0,0,0]=2 17405 B17R1.18598 CCCC(CCC)NCCSc1ccccc1 270004a_100000189519_100000210088 [0,0,1,0,0,1|0,0,0]=2 17406 B17R1.18598 CCCC(CCC)NCCSc1ccccc1 34a_100011207992_100000246102 [0,0,1,0,0,1|0,0,0]=2 17407 B17R1.18598 CCCC(CCC)NCOCc1ccccc1 2230a_100011207992_100000763385 [0,0,1,0,0,1|0,0,0]=2 17408 B17R1.18598 CCCC(CCC)NCOCc1ccccc1 34a_100011207992_100000763385 [0,0,1,0,0,1|0,0,0]=2 17409 B17R1.18598 CCCC(CCC)NCSCc1ccccc1 2230a_100011207992_200011217039 [0,0,1,0,0,1|0,0,0]=2 17410 B17R1.18598 CCCC(CCC)NCSCc1ccccc1 34a_100011207992_200011217039 [0,0,1,0,0,1|0,0,0]=2 17411 B17R1.18598 CCCC(CCC)OC/C=C/c1ccccc1 34a_100000210256_200011218217 [0,0,1,0,0,1|1,0,1]=4 17412 B17R1.18598 CCCC(CCC)OC/C=C/c1ccccc1 34a_200011218534_100016265936 [0,0,1,0,0,1|1,0,1]=4 17413 B17R1.18598 CCCC(CCC)OC/C=C/c1ccccc1 7a_200011218534_100016265936 [0,0,1,0,0,1|1,0,1]=4 17414 B17R1.18598 CCCC(CCC)OCC#Cc1ccccc1 34a_100011217464_200011218217 [0,0,1,0,0,1|1,0,1]=4 17415 B17R1.18598 CCCC(CCC)OCC#Cc1ccccc1 34a_200011218534_100011352542 [0,0,1,0,0,1|1,0,1]=4 17416 B17R1.18598 CCCC(CCC)OCC#Cc1ccccc1 7a_100011217464_200011218217 [0,0,1,0,0,1|1,0,1]=4 17417 B17R1.18598 CCCC(CCC)OCC#Cc1ccccc1 7a_200011218534_100011352542 [0,0,1,0,0,1|1,0,1]=4 17418 B17R1.18598 CCCC(CCC)OCCCc1ccccc1 34a_100000210828_200011218217 [0,0,1,0,0,1|1,0,0]=3 17419 B17R1.18598 CCCC(CCC)OCCCc1ccccc1 34a_200011218534_100000211621 [0,0,1,0,0,1|1,0,0]=3 17420 B17R1.18598 CCCC(CCC)OCCCc1ccccc1 7a_100000210828_200011218217 [0,0,1,0,0,1|1,0,0]=3 17421 B17R1.18598 CCCC(CCC)OCCCc1ccccc1 7a_200011218534_100000211621 [0,0,1,0,0,1|1,0,0]=3 17422 B17R1.18598 CCCC(CCC)OCCCc1ccccn1 34a_100011215068_200011218217 [0,0,1,0,0,1|2,0,0]=4 17423 B17R1.18598 CCCC(CCC)OCCCc1cccnc1 34a_100000211284_200011218217 [0,0,1,0,0,1|2,0,0]=4 17424 B17R1.18598 CCCC(CCC)OCCCc1ccncc1 34a_100000210659_200011218217 [0,0,1,0,0,1|2,0,0]=4 17425 B17R1.18598 CCCC(CCC)OCCNc1ccccc1 34a_100000211345_200011218217 [0,0,1,0,0,1|1,0,0]=3 17426 B17R1.18598 CCCC(CCC)OCCNc1ccncc1 34a_200011243140_200011218217 [0,0,1,0,0,1|2,0,0]=4 17427 B17R1.18598 CCCC(CCC)OCCOc1ccccc1 34a_100000210260_200011218217 [0,0,1,0,0,1|1,0,0]=3 17428 B17R1.18598 CCCC(CCC)OCCOc1ccccc1 34a_200011218534_100000184471 [0,0,1,0,0,1|1,0,0]=3 17429 B17R1.18598 CCCC(CCC)OCCOc1ccccc1 7a_100000210260_200011218217 [0,0,1,0,0,1|1,0,0]=3 17430 B17R1.18598 CCCC(CCC)OCCOc1ccccc1 7a_200011218534_100000184471 [0,0,1,0,0,1|1,0,0]=3 17431 B17R1.18598 CCCC(CCC)OCCSc1ccccc1 34a_200011218534_100000246102 [0,0,1,0,0,1|1,0,0]=3 17432 B17R1.18598 CCCC(CCC)OCCSc1ccccc1 7a_100000230494_200011218217 [0,0,1,0,0,1|1,0,0]=3 17433 B17R1.18598 CCCC(CCC)OCCSc1ccccc1 7a_200011218534_100000246102 [0,0,1,0,0,1|1,0,0]=3 17434 B17R1.18598 CCCC(CCC)OCCSc1ccccn1 7a_100000156319_200011218217 [0,0,1,0,0,1|2,0,0]=4 17435 B17R1.18598 CCCC(CCC)OCOCc1ccccc1 34a_200011218534_100000763385 [0,0,1,0,0,1|1,0,0]=3 17436 B17R1.18598 CCCC(CCC)OCSCc1ccccc1 34a_200011218534_200011217039 [0,0,1,0,0,1|1,0,0]=3 17437 B17R1.18598 CCCC(CCC)SC/C=C/c1ccccc1 62a_100016265936_200011218217 [0,0,1,0,0,1|1,0,1]=4 17438 B17R1.18598 CCCC(CCC)SC/C=C/c1ccccc1 62a_200011218217_100016265936 [0,0,1,0,0,1|1,0,1]=4 17439 B17R1.18598 CCCC(CCC)SCC#Cc1ccccc1 62a_200011218217_100011352542 [0,0,1,0,0,1|1,0,1]=4 17440 B17R1.18598 CCCC(CCC)SCCCc1ccccc1 62a_100000211621_200011218217 [0,0,1,0,0,1|1,0,0]=3 17441 B17R1.18598 CCCC(CCC)SCCCc1ccccc1 62a_200011218217_100000211621 [0,0,1,0,0,1|1,0,0]=3 17442 B17R1.18598 CCCC(CCC)SCCOc1ccccc1 62a_100000184471_200011218217 [0,0,1,0,0,1|1,0,0]=3 17443 B17R1.18598 CCCC(CCC)SCCOc1ccccc1 62a_200011218217_100000184471 [0,0,1,0,0,1|1,0,0]=3 17444 B17R1.18598 CCCC(CCC)SCCSc1ccccc1 62a_100000246102_200011218217 [0,0,1,0,0,1|1,0,0]=3 17445 B17R1.18598 CCCC(CCC)SCCSc1ccccc1 62a_200011218217_100000246102 [0,0,1,0,0,1|1,0,0]=3 17446 B17R1.18598 CCCC(CCC)SCOCc1ccccc1 62a_100000763385_200011218217 [0,0,1,0,0,1|1,0,0]=3 17447 B17R1.18598 CCCC(CCC)SCOCc1ccccc1 62a_200011218217_100000763385 [0,0,1,0,0,1|1,0,0]=3 17448 B17R1.18598 CCCC(CCC)SCSCc1ccccc1 62a_200011217039_200011218217 [0,0,1,0,0,1|1,0,0]=3 17449 B17R1.18598 CCCC(CCC)SCSCc1ccccc1 62a_200011218217_200011217039 [0,0,1,0,0,1|1,0,0]=3 17450 B17R1.18598 CCCN(CCC)CCCCc1ccccc1 2230a_100000210455_100000701786 [0,0,1,0,0,1|2,0,0]=4 17451 B17R1.18598 CCCN(CCC)CCCCc1ccccc1 269982a_100000210455_100000701786 [0,0,1,0,0,1|2,0,0]=4 17452 B17R1.18598 CCCN(CCC)CCCOc1ccccc1 2230a_100000210455_100000199009 [0,0,1,0,0,1|2,0,0]=4 17453 B17R1.18598 CCCN(CCC)CCCOc1ccccc1 269982a_100000210455_100000199009 [0,0,1,0,0,1|2,0,0]=4 17454 B17R1.18598 CCCN(CCC)CCCSc1ccccc1 2230a_100000210455_200011203293 [0,0,1,0,0,1|2,0,0]=4 17455 B17R1.18598 CCCN(CCC)CCCSc1ccccc1 269982a_100000210455_200011203293 [0,0,1,0,0,1|2,0,0]=4 17456 B17R1.18598 CCCN(CCC)CCNCc1ccccc1 207a_100011200929_100015611070 [0,0,1,0,0,1|2,0,0]=4 17457 B17R1.18598 CCCN(CCC)CCNCc1ccccc1 270004a_100011200929_100015611070 [0,0,1,0,0,1|2,0,0]=4 17458 B17R1.18598 CCCN(CCC)CCOCc1ccccc1 2230a_100000210455_100000234347 [0,0,1,0,0,1|2,0,0]=4 17459 B17R1.18598 CCCN(CCC)CCOCc1ccccc1 269982a_100000210455_100000234347 [0,0,1,0,0,1|2,0,0]=4 17460 B17R1.18598 CCCN(CCC)CCSCc1ccccc1 2230a_100000210455_200011297719 [0,0,1,0,0,1|2,0,0]=4 17461 B17R1.18598 CCCN(CCC)CCSCc1ccccc1 269982a_100000210455_200011297719 [0,0,1,0,0,1|2,0,0]=4 17462 B17R1.18598 CCC[C@@H](CCO)NC/C=C/c1ccccc1 2230a_100015193777_100016265936 [0,0,1,0,0,1|1,0,1]=4 17463 B17R1.18598 CCC[C@@H](CCO)NC/C=C/c1ccccc1 34a_100015193777_100016265936 [0,0,1,0,0,1|1,0,1]=4 17464 B17R1.18598 CCC[C@@H](CCO)NCC#Cc1ccccc1 2230a_100015193777_100011352542 [0,0,1,0,0,1|1,0,1]=4 17465 B17R1.18598 CCC[C@@H](CCO)NCC#Cc1ccccc1 34a_100015193777_100011352542 [0,0,1,0,0,1|1,0,1]=4 17466 B17R1.18598 CCC[C@@H](CCO)NCC=Cc1ccccc1 270004a_100015193777_100000210105 [0,0,1,0,0,1|1,0,1]=4 17467 B17R1.18598 CCC[C@@H](CCO)NCCCc1ccccc1 2230a_100015193777_100000211621 [0,0,1,0,0,1|1,0,0]=3 17468 B17R1.18598 CCC[C@@H](CCO)NCCCc1ccccc1 34a_100015193777_100000211621 [0,0,1,0,0,1|1,0,0]=3 17469 B17R1.18598 CCC[C@@H](CCO)NCCOc1ccccc1 2230a_100015193777_100000184471 [0,0,1,0,0,1|1,0,0]=3 17470 B17R1.18598 CCC[C@@H](CCO)NCCOc1ccccc1 270004a_100015193777_100000758736 [0,0,1,0,0,1|1,0,0]=3 17471 B17R1.18598 CCC[C@@H](CCO)NCCOc1ccccc1 34a_100015193777_100000184471 [0,0,1,0,0,1|1,0,0]=3 17472 B17R1.18598 CCC[C@@H](CCO)NCCSc1ccccc1 2230a_100015193777_100000246102 [0,0,1,0,0,1|1,0,0]=3 17473 B17R1.18598 CCC[C@@H](CCO)NCCSc1ccccc1 34a_100015193777_100000246102 [0,0,1,0,0,1|1,0,0]=3 17474 B17R1.18598 CCC[C@@H](CCO)NCOCc1ccccc1 2230a_100015193777_100000763385 [0,0,1,0,0,1|1,0,0]=3 17475 B17R1.18598 CCC[C@@H](CCO)NCOCc1ccccc1 34a_100015193777_100000763385 [0,0,1,0,0,1|1,0,0]=3 17476 B17R1.18598 CCC[C@@H](CCO)NCSCc1ccccc1 2230a_100015193777_200011217039 [0,0,1,0,0,1|1,0,0]=3 17477 B17R1.18598 CCC[C@@H](CCO)NCSCc1ccccc1 34a_100015193777_200011217039 [0,0,1,0,0,1|1,0,0]=3 17478 B17R1.18598 CCOC(CNCCc1ccccc1)OCC 2230a_100000106460_100000210512 [0,0,1,0,0,1|2,0,0]=4 17479 B17R1.18598 CCOC(CNCCc1ccccc1)OCC 34a_100000106460_100000210512 [0,0,1,0,0,1|2,0,0]=4 17480 B17R1.18598 CCOC(CNCCc1ccccc1)OCC 34a_100000211098_100000765856 [0,0,1,0,0,1|2,0,0]=4 17481 B17R1.18598 COCC(COC)NCCCc1ccccc1 2230a_100011997029_100000211621 [0,0,1,0,0,1|2,0,0]=4 17482 B17R1.18598 COCC(COC)NCCCc1ccccc1 270004a_100000211184_100000761750 [0,0,1,0,0,1|2,0,0]=4 17483 B17R1.18598 COCC(COC)NCCOc1ccccc1 2230a_100011997029_100000184471 [0,0,1,0,0,1|2,0,0]=4 17484 B17R1.18598 COCC(COC)NCCOc1ccccc1 270004a_100000174943_100000761750 [0,0,1,0,0,1|2,0,0]=4 17485 B17R1.18598 COCC(COC)NCCOc1ccccc1 270004a_100011997029_100000758736 [0,0,1,0,0,1|2,0,0]=4 17486 B17R1.18598 COCC(COC)NCCSc1ccccc1 2230a_100011997029_100000246102 [0,0,1,0,0,1|2,0,0]=4 17487 B17R1.18598 COCC(COC)NCCSc1ccccc1 270004a_100000189519_100000761750 [0,0,1,0,0,1|2,0,0]=4 17488 B17R1.18598 COCC(COC)NCOCc1ccccc1 2230a_100011997029_100000763385 [0,0,1,0,0,1|2,0,0]=4 17489 B17R1.18598 COCC(COC)NCSCc1ccccc1 2230a_100011997029_200011217039 [0,0,1,0,0,1|2,0,0]=4 17490 B17R2.7394 C\1=C\CCC(CCC1)NCCc2ccco2 34a_100000694680_100021000466 [0,0,0,0,1,1|1,0,1]=4 17491 B17R2.7394 C\1=C\CCC(CCC1)NCCc2cccs2 34a_100000203755_100021000466 [0,0,0,0,1,1|1,0,1]=4 17492 B17R2.7394 C\1=C\CCC(CCC1)NCCc2ccsc2 34a_100000692642_100021000466 [0,0,0,0,1,1|1,0,1]=4 17493 B17R2.7394 C\1=C\CCC(CCC1)NCCn2cccc2 34a_100011368172_100021000466 [0,0,0,0,1,1|1,0,1]=4 17494 B17R2.7394 c1c[nH]c(n1)CCNC2CCCCCCC2 270004a_100000754300_100000210524 [0,0,0,0,1,1|2,0,0]=4 17495 B17R2.7394 c1cc(cs1)CCNC2CCCCCCC2 270004a_100000692642_100000210524 [0,0,0,0,1,1|1,0,0]=3 17496 B17R2.7394 c1ccn(c1)CCNC2CCCCCCC2 2230a_100000211152_200009811947 [0,0,0,0,1,1|1,0,0]=3 17497 B17R2.7394 c1ccn(c1)CCNC2CCCCCCC2 270004a_100011368172_100000210524 [0,0,0,0,1,1|1,0,0]=3 17498 B17R2.7394 c1ccn(c1)CCOC2CCCCCCC2 7a_100000210054_200000035178 [0,0,0,0,1,1|2,0,0]=4 17499 B17R2.7394 c1cn(cn1)CCNC2CCCCCCC2 270004a_100000230061_100000210524 [0,0,0,0,1,1|2,0,0]=4 17500 B17R2.7394 c1cnn(c1)CCNC2CCCCCCC2 2230a_100000211152_100000685285 [0,0,0,0,1,1|2,0,0]=4 17501 B17R2.7394 c1cnn(c1)CCNC2CCCCCCC2 270004a_100011200920_100000210524 [0,0,0,0,1,1|2,0,0]=4 17502 B17R2.7394 c1cnn(c1)CCNC2CCCCCCC2 34a_100000211152_100015204718 [0,0,0,0,1,1|2,0,0]=4 17503 B17R2.7394 c1coc(c1)CCNC2CCCCCCC2 270004a_100000694680_100000210524 [0,0,0,0,1,1|1,0,0]=3 17504 B17R2.7394 c1csc(c1)CCNC2CCCCCCC2 2230a_100000211152_100000748579 [0,0,0,0,1,1|1,0,0]=3 17505 B17R2.7394 c1csc(c1)CCNC2CCCCCCC2 270004a_100000203755_100000210524 [0,0,0,0,1,1|1,0,0]=3 17506 B17R2.7394 c1csc(c1)CCNC2CCCCCCC2 34a_100000211152_100000748579 [0,0,0,0,1,1|1,0,0]=3 17507 B17R2.7394 c1csc(c1)CCOC2CCCCCCC2 34a_100000210054_100000748579 [0,0,0,0,1,1|2,0,0]=4 17508 B17R2.7394 c1csc(c1)CCOC2CCCCCCC2 7a_100000210054_100000748579 [0,0,0,0,1,1|2,0,0]=4 17509 B17R2.7394 c1csc(n1)CCNC2CCCCCCC2 270004a_100015186391_100000210524 [0,0,0,0,1,1|2,0,0]=4 17510 B17R2.7394 c1n[nH]cc1CCNC2CCCCCCC2 2230a_100000211152_100000743252 [0,0,0,0,1,1|2,0,0]=4 17511 B17R2.7394 c1n[nH]cc1CCNC2CCCCCCC2 270004a_100000732747_100000210524 [0,0,0,0,1,1|2,0,0]=4 17512 B17R2.7394 c1nc(c[nH]1)CCNC2CCCCCCC2 2230a_100000211152_100020628418 [0,0,0,0,1,1|2,0,0]=4 17513 B17R2.7394 c1nc(c[nH]1)CCNC2CCCCCCC2 270004a_100000755092_100000210524 [0,0,0,0,1,1|2,0,0]=4 17514 B17R2.7394 c1ncc(s1)CCNC2CCCCCCC2 270004a_100016991637_100000210524 [0,0,0,0,1,1|2,0,0]=4 17515 B19R2.207086 c1cc(ccn1)CCNC2CCCCCCCC2 270004a_100000742849_100000038600 [0,0,0,0,0,2|1,0,0]=3 17516 B19R2.207086 c1ccc(cc1)CCCN2CCCCCCCC2 2230a_100000039187_100000211621 [0,0,0,0,0,2|2,0,0]=4 17517 B19R2.207086 c1ccc(cc1)CCCN2CCCCCCCC2 269982a_100000039187_100000211621 [0,0,0,0,0,2|2,0,0]=4 17518 B19R2.207086 c1ccc(cc1)CCCN2CCCCCCCC2 34a_100000039187_100000211621 [0,0,0,0,0,2|2,0,0]=4 17519 B19R2.207086 c1ccc(cc1)CCNC2CCCCCCCC2 270004a_100000106460_100000038600 [0,0,0,0,0,2|0,0,0]=2 17520 B19R2.207086 c1ccc(nc1)CCNC2CCCCCCCC2 270004a_100000211156_100000038600 [0,0,0,0,0,2|1,0,0]=3 17521 B19R2.207086 c1cnc(cn1)CCNC2CCCCCCCC2 270004a_100000723456_100000038600 [0,0,0,0,0,2|2,0,0]=4 17522 B19R2.207086 c1cncc(c1)CCNC2CCCCCCCC2 270004a_100000736294_100000038600 [0,0,0,0,0,2|1,0,0]=3 17523 B19R2.207090 C(#Cc1ccccc1)CNC2CC/C=C\CCC2 34a_100000735379_100021000466 [0,0,0,0,0,2|0,0,2]=4 17524 B19R2.207090 C(#Cc1ccccc1)CNC2CCCCCCC2 2230a_100000211152_100011352542 [0,0,0,0,0,2|0,0,1]=3 17525 B19R2.207090 C(#Cc1ccccc1)CNC2CCCCCCC2 34a_100000211152_100011352542 [0,0,0,0,0,2|0,0,1]=3 17526 B19R2.207090 C(#Cc1ccccc1)COC2CCCCCCC2 34a_100000210054_100011352542 [0,0,0,0,0,2|1,0,1]=4 17527 B19R2.207090 C(#Cc1ccccc1)COC2CCCCCCC2 7a_100000210054_100011352542 [0,0,0,0,0,2|1,0,1]=4 17528 B19R2.207090 C(=C/c1ccccc1)\CNC2CCCCCCC2 2230a_100000211152_100016265936 [0,0,0,0,0,2|0,0,1]=3 17529 B19R2.207090 C(=C/c1ccccc1)\CNC2CCCCCCC2 270004a_100020603302_100000210524 [0,0,0,0,0,2|0,0,1]=3 17530 B19R2.207090 C(=C/c1ccccc1)\CNC2CCCCCCC2 34a_100000211152_100016265936 [0,0,0,0,0,2|0,0,1]=3 17531 B19R2.207090 C(=C/c1ccccc1)\COC2CCCCCCC2 34a_100000210054_100016265936 [0,0,0,0,0,2|1,0,1]=4 17532 B19R2.207090 C(=C/c1ccccc1)\COC2CCCCCCC2 7a_100000210054_100016265936 [0,0,0,0,0,2|1,0,1]=4 17533 B19R2.207090 C(=Cc1ccccc1)CNC2CCCCCCC2 270004a_100000211152_100000210105 [0,0,0,0,0,2|0,0,1]=3 17534 B19R2.207090 C(=NNCc1ccccc1)C2CCCCCCC2 4a_100000007032_100000765718 [0,0,0,0,0,2|1,0,1]=4 17535 B19R2.207090 C1=CC(CCCCC1)OCCCc2ccccc2 34a_100000688657_100000211621 [0,0,0,0,0,2|1,0,1]=4 17536 B19R2.207090 C1=CC(CCCCC1)OCCOc2ccccc2 34a_100000688657_100000184471 [0,0,0,0,0,2|1,0,1]=4 17537 B19R2.207090 C1=CC(CCCCC1)OCCSc2ccccc2 34a_100000688657_100000246102 [0,0,0,0,0,2|1,0,1]=4 17538 B19R2.207090 C1=CC(CCCCC1)OCOCc2ccccc2 34a_100000688657_100000763385 [0,0,0,0,0,2|1,0,1]=4 17539 B19R2.207090 C1=CC(CCCCC1)OCSCc2ccccc2 34a_100000688657_200011217039 [0,0,0,0,0,2|1,0,1]=4 17540 B19R2.207090 C\1=C\CCC(CCC1)CNCCc2ccccc2 2230a_100102730862_100000765856 [0,0,0,0,0,2|0,0,1]=3 17541 B19R2.207090 C\1=C\CCC(CCC1)CNCCc2ccccc2 34a_100102730862_100000765856 [0,0,0,0,0,2|0,0,1]=3 17542 B19R2.207090 C\1=C\CCC(CCC1)CNCCc2ccccn2 2230a_100102730862_100015183660 [0,0,0,0,0,2|1,0,1]=4 17543 B19R2.207090 C\1=C\CCC(CCC1)CNCCc2cccnc2 2230a_100102730862_200011713674 [0,0,0,0,0,2|1,0,1]=4 17544 B19R2.207090 C\1=C\CCC(CCC1)CNCCc2ccncc2 2230a_100102730862_100000723409 [0,0,0,0,0,2|1,0,1]=4 17545 B19R2.207090 C\1=C\CCC(CCC1)CNCSc2ccccc2 2230a_100102730862_100011218342 [0,0,0,0,0,2|1,0,1]=4 17546 B19R2.207090 C\1=C\CCC(CCC1)NC/C=C/c2ccccc2 34a_100020603302_100021000466 [0,0,0,0,0,2|0,0,2]=4 17547 B19R2.207090 C\1=C\CCC(CCC1)NCCCc2ccccc2 34a_100000211184_100021000466 [0,0,0,0,0,2|0,0,1]=3 17548 B19R2.207090 C\1=C\CCC(CCC1)NCCCc2cccnc2 34a_100011532358_100021000466 [0,0,0,0,0,2|1,0,1]=4 17549 B19R2.207090 C\1=C\CCC(CCC1)NCCOc2ccccc2 34a_100000174943_100021000466 [0,0,0,0,0,2|0,0,1]=3 17550 B19R2.207090 C\1=C\CCC(CCC1)OCCCc2ccccc2 34a_100000210828_100021000466 [0,0,0,0,0,2|1,0,1]=4 17551 B19R2.207090 C\1=C\CCC(CCC1)OCCCc2ccccc2 34a_100016989180_100000211621 [0,0,0,0,0,2|1,0,1]=4 17552 B19R2.207090 C\1=C\CCC(CCC1)OCCCc2ccccc2 7a_100000210828_100021000466 [0,0,0,0,0,2|1,0,1]=4 17553 B19R2.207090 C\1=C\CCC(CCC1)OCCNc2ccccc2 34a_100000211345_100021000466 [0,0,0,0,0,2|1,0,1]=4 17554 B19R2.207090 C\1=C\CCC(CCC1)OCCOc2ccccc2 34a_100000210260_100021000466 [0,0,0,0,0,2|1,0,1]=4 17555 B19R2.207090 C\1=C\CCC(CCC1)OCCOc2ccccc2 34a_100016989180_100000184471 [0,0,0,0,0,2|1,0,1]=4 17556 B19R2.207090 C\1=C\CCC(CCC1)OCCOc2ccccc2 7a_100000210260_100021000466 [0,0,0,0,0,2|1,0,1]=4 17557 B19R2.207090 C\1=C\CCC(CCC1)OCCSc2ccccc2 34a_100016989180_100000246102 [0,0,0,0,0,2|1,0,1]=4 17558 B19R2.207090 C\1=C\CCC(CCC1)OCCSc2ccccc2 7a_100000230494_100021000466 [0,0,0,0,0,2|1,0,1]=4 17559 B19R2.207090 C\1=C\CCC(CCC1)OCOCc2ccccc2 34a_100016989180_100000763385 [0,0,0,0,0,2|1,0,1]=4 17560 B19R2.207090 C\1=C\CCC(CCC1)OCSCc2ccccc2 34a_100016989180_200011217039 [0,0,0,0,0,2|1,0,1]=4 17561 B19R2.207090 C\1=C\CCC(CCC1)SCCCc2ccccc2 62a_100000211621_100021000466 [0,0,0,0,0,2|1,0,1]=4 17562 B19R2.207090 C\1=C\CCC(CCC1)SCCCc2ccccc2 62a_100021000466_100000211621 [0,0,0,0,0,2|1,0,1]=4 17563 B19R2.207090 C\1=C\CCC(CCC1)SCCOc2ccccc2 62a_100000184471_100021000466 [0,0,0,0,0,2|1,0,1]=4 17564 B19R2.207090 C\1=C\CCC(CCC1)SCCOc2ccccc2 62a_100021000466_100000184471 [0,0,0,0,0,2|1,0,1]=4 17565 B19R2.207090 C\1=C\CCC(CCC1)SCCSc2ccccc2 62a_100000246102_100021000466 [0,0,0,0,0,2|1,0,1]=4 17566 B19R2.207090 C\1=C\CCC(CCC1)SCCSc2ccccc2 62a_100021000466_100000246102 [0,0,0,0,0,2|1,0,1]=4 17567 B19R2.207090 C\1=C\CCC(CCC1)SCOCc2ccccc2 62a_100000763385_100021000466 [0,0,0,0,0,2|1,0,1]=4 17568 B19R2.207090 C\1=C\CCC(CCC1)SCOCc2ccccc2 62a_100021000466_100000763385 [0,0,0,0,0,2|1,0,1]=4 17569 B19R2.207090 C\1=C\CCC(CCC1)SCSCc2ccccc2 62a_100021000466_200011217039 [0,0,0,0,0,2|1,0,1]=4 17570 B19R2.207090 C\1=C\CCC(CCC1)SCSCc2ccccc2 62a_200011217039_100021000466 [0,0,0,0,0,2|1,0,1]=4 17571 B19R2.207090 c1cc(ccn1)CCCNC2CCCCCCC2 270004a_100011275580_100000210524 [0,0,0,0,0,2|1,0,0]=3 17572 B19R2.207090 c1cc(ccn1)CCOCC2CCCCCCC2 7a_100011216312_100000723409 [0,0,0,0,0,2|2,0,0]=4 17573 B19R2.207090 c1cc(ccn1)CNCCC2CCCCCCC2 207a_100011532352_100000186114 [0,0,0,0,0,2|2,0,0]=4 17574 B19R2.207090 c1cc(ccn1)CNCCC2CCCCCCC2 2230a_100011532352_100015193705 [0,0,0,0,0,2|2,0,0]=4 17575 B19R2.207090 c1cc(ccn1)OCCNC2CCCCCCC2 270004a_100025717301_100000210524 [0,0,0,0,0,2|1,0,0]=3 17576 B19R2.207090 c1ccc(cc1)CCCCN2CCCCCCC2 2230a_100000211400_100000701786 [0,0,0,0,0,2|2,0,0]=4 17577 B19R2.207090 c1ccc(cc1)CCCCN2CCCCCCC2 269982a_100000211400_100000701786 [0,0,0,0,0,2|2,0,0]=4 17578 B19R2.207090 c1ccc(cc1)CCCCN2CCCCCCC2 34a_100000211400_100000701786 [0,0,0,0,0,2|2,0,0]=4 17579 B19R2.207090 c1ccc(cc1)CCCNC2CCCCCCC2 2230a_100000211152_100000211621 [0,0,0,0,0,2|0,0,0]=2 17580 B19R2.207090 c1ccc(cc1)CCCNC2CCCCCCC2 270004a_100000211184_100000210524 [0,0,0,0,0,2|0,0,0]=2 17581 B19R2.207090 c1ccc(cc1)CCCNC2CCCCCCC2 34a_100000211152_100000211621 [0,0,0,0,0,2|0,0,0]=2 17582 B19R2.207090 c1ccc(cc1)CCCOC2CCCCCCC2 34a_100000210054_100000211621 [0,0,0,0,0,2|1,0,0]=3 17583 B19R2.207090 c1ccc(cc1)CCCOC2CCCCCCC2 7a_100000210054_100000211621 [0,0,0,0,0,2|1,0,0]=3 17584 B19R2.207090 c1ccc(cc1)CCNN=C2CCCCCCC2 4a_100000740470_100000210524 [0,0,0,0,0,2|0,0,1]=3 17585 B19R2.207090 c1ccc(cc1)CCOCC2CCCCCCC2 34a_100011216312_100000765856 [0,0,0,0,0,2|1,0,0]=3 17586 B19R2.207090 c1ccc(cc1)CCOCC2CCCCCCC2 7a_100011216312_100000765856 [0,0,0,0,0,2|1,0,0]=3 17587 B19R2.207090 c1ccc(cc1)CNCCC2CCCCCCC2 207a_100011532352_100015611070 [0,0,0,0,0,2|1,0,0]=3 17588 B19R2.207090 c1ccc(cc1)CNCCC2CCCCCCC2 2230a_100011532352_100015291786 [0,0,0,0,0,2|1,0,0]=3 17589 B19R2.207090 c1ccc(cc1)CNCCC2CCCCCCC2 270004a_100011532352_100015611070 [0,0,0,0,0,2|1,0,0]=3 17590 B19R2.207090 c1ccc(cc1)CNCCC2CCCCCCC2 34a_100011532352_100015291786 [0,0,0,0,0,2|1,0,0]=3 17591 B19R2.207090 c1ccc(cc1)COCCN2CCCCCCC2 2230a_100000211400_100000234347 [0,0,0,0,0,2|2,0,0]=4 17592 B19R2.207090 c1ccc(cc1)COCCN2CCCCCCC2 269982a_100000211400_100000234347 [0,0,0,0,0,2|2,0,0]=4 17593 B19R2.207090 c1ccc(cc1)COCCN2CCCCCCC2 34a_100000211400_100000234347 [0,0,0,0,0,2|2,0,0]=4 17594 B19R2.207090 c1ccc(cc1)COCNC2CCCCCCC2 2230a_100000211152_100000763385 [0,0,0,0,0,2|0,0,0]=2 17595 B19R2.207090 c1ccc(cc1)COCNC2CCCCCCC2 34a_100000211152_100000763385 [0,0,0,0,0,2|0,0,0]=2 17596 B19R2.207090 c1ccc(cc1)COCOC2CCCCCCC2 34a_100000210054_100000763385 [0,0,0,0,0,2|1,0,0]=3 17597 B19R2.207090 c1ccc(cc1)CSCCN2CCCCCCC2 2230a_100000211400_200011297719 [0,0,0,0,0,2|2,0,0]=4 17598 B19R2.207090 c1ccc(cc1)CSCCN2CCCCCCC2 269982a_100000211400_200011297719 [0,0,0,0,0,2|2,0,0]=4 17599 B19R2.207090 c1ccc(cc1)CSCCN2CCCCCCC2 34a_100000211400_200011297719 [0,0,0,0,0,2|2,0,0]=4 17600 B19R2.207090 c1ccc(cc1)CSCNC2CCCCCCC2 2230a_100000211152_200011217039 [0,0,0,0,0,2|0,0,0]=2 17601 B19R2.207090 c1ccc(cc1)CSCNC2CCCCCCC2 34a_100000211152_200011217039 [0,0,0,0,0,2|0,0,0]=2 17602 B19R2.207090 c1ccc(cc1)CSCOC2CCCCCCC2 34a_100000210054_200011217039 [0,0,0,0,0,2|1,0,0]=3 17603 B19R2.207090 c1ccc(cc1)OCCCN2CCCCCCC2 2230a_100000211400_100000199009 [0,0,0,0,0,2|2,0,0]=4 17604 B19R2.207090 c1ccc(cc1)OCCCN2CCCCCCC2 269982a_100000211400_100000199009 [0,0,0,0,0,2|2,0,0]=4 17605 B19R2.207090 c1ccc(cc1)OCCCN2CCCCCCC2 34a_100000211400_100000199009 [0,0,0,0,0,2|2,0,0]=4 17606 B19R2.207090 c1ccc(cc1)OCCNC2CCCCCCC2 2230a_100000211152_100000184471 [0,0,0,0,0,2|0,0,0]=2 17607 B19R2.207090 c1ccc(cc1)OCCNC2CCCCCCC2 270004a_100000174943_100000210524 [0,0,0,0,0,2|0,0,0]=2 17608 B19R2.207090 c1ccc(cc1)OCCNC2CCCCCCC2 270004a_100000211152_100000758736 [0,0,0,0,0,2|0,0,0]=2 17609 B19R2.207090 c1ccc(cc1)OCCNC2CCCCCCC2 34a_100000211152_100000184471 [0,0,0,0,0,2|0,0,0]=2 17610 B19R2.207090 c1ccc(cc1)OCCOC2CCCCCCC2 34a_100000210054_100000184471 [0,0,0,0,0,2|1,0,0]=3 17611 B19R2.207090 c1ccc(cc1)OCCOC2CCCCCCC2 7a_100000210054_100000184471 [0,0,0,0,0,2|1,0,0]=3 17612 B19R2.207090 c1ccc(cc1)SCCCN2CCCCCCC2 2230a_100000211400_200011203293 [0,0,0,0,0,2|2,0,0]=4 17613 B19R2.207090 c1ccc(cc1)SCCCN2CCCCCCC2 269982a_100000211400_200011203293 [0,0,0,0,0,2|2,0,0]=4 17614 B19R2.207090 c1ccc(cc1)SCCCN2CCCCCCC2 34a_100000211400_200011203293 [0,0,0,0,0,2|2,0,0]=4 17615 B19R2.207090 c1ccc(cc1)SCCNC2CCCCCCC2 2230a_100000211152_100000246102 [0,0,0,0,0,2|0,0,0]=2 17616 B19R2.207090 c1ccc(cc1)SCCNC2CCCCCCC2 270004a_100000189519_100000210524 [0,0,0,0,0,2|0,0,0]=2 17617 B19R2.207090 c1ccc(cc1)SCCNC2CCCCCCC2 34a_100000211152_100000246102 [0,0,0,0,0,2|0,0,0]=2 17618 B19R2.207090 c1ccc(cc1)SCCOC2CCCCCCC2 34a_100000210054_100000246102 [0,0,0,0,0,2|1,0,0]=3 17619 B19R2.207090 c1ccc(cc1)SCCOC2CCCCCCC2 7a_100000210054_100000246102 [0,0,0,0,0,2|1,0,0]=3 17620 B19R2.207090 c1ccc(nc1)CCCNC2CCCCCCC2 270004a_100000689020_100000210524 [0,0,0,0,0,2|1,0,0]=3 17621 B19R2.207090 c1ccc(nc1)CCOCC2CCCCCCC2 7a_100011216312_100015183660 [0,0,0,0,0,2|2,0,0]=4 17622 B19R2.207090 c1ccc(nc1)CNCCC2CCCCCCC2 207a_100011532352_100000209966 [0,0,0,0,0,2|2,0,0]=4 17623 B19R2.207090 c1ccc(nc1)CNCCC2CCCCCCC2 2230a_100011532352_100000721315 [0,0,0,0,0,2|2,0,0]=4 17624 B19R2.207090 c1ccc(nc1)CNCCC2CCCCCCC2 270004a_100011532352_100000209966 [0,0,0,0,0,2|2,0,0]=4 17625 B19R2.207090 c1ccc(nc1)CNCCC2CCCCCCC2 34a_100011532352_100000721315 [0,0,0,0,0,2|2,0,0]=4 17626 B19R2.207090 c1ccc(nc1)OCCNC2CCCCCCC2 270004a_106741647558_100000210524 [0,0,0,0,0,2|1,0,0]=3 17627 B19R2.207090 c1cncc(c1)CCCNC2CCCCCCC2 270004a_100011532358_100000210524 [0,0,0,0,0,2|1,0,0]=3 17628 B19R2.207090 c1cncc(c1)CCOCC2CCCCCCC2 7a_100011216312_200011713674 [0,0,0,0,0,2|2,0,0]=4 17629 B19R2.207090 c1cncc(c1)CNCCC2CCCCCCC2 207a_100011532352_100000209961 [0,0,0,0,0,2|2,0,0]=4 17630 B19R2.207090 c1cncc(c1)CNCCC2CCCCCCC2 2230a_100011532352_100000741622 [0,0,0,0,0,2|2,0,0]=4 17631 B19R2.207090 c1cncc(c1)CNCCC2CCCCCCC2 270004a_100011532352_100000209961 [0,0,0,0,0,2|2,0,0]=4 17632 B19R2.207090 c1cncc(c1)CNCCC2CCCCCCC2 34a_100011532352_100000733263 [0,0,0,0,0,2|2,0,0]=4 17633 B19R2.207090 c1cncc(c1)OCCNC2CCCCCCC2 270004a_100000754688_100000210524 [0,0,0,0,0,2|1,0,0]=3 17634 B19R2.207091 C(#Cc1ccccc1)CCOC2CCCCCC2 34a_100000760064_100011217769 [0,0,0,0,0,2|1,0,0]=3 17635 B19R2.207091 C(#Cc1ccccc1)CNCC2CCCCCC2 2230a_100015204231_100011352542 [0,0,0,0,0,2|0,0,1]=3 17636 B19R2.207091 C(#Cc1ccccc1)CNCC2CCCCCC2 34a_100000735379_200000696569 [0,0,0,0,0,2|0,0,1]=3 17637 B19R2.207091 C(#Cc1ccccc1)CNCC2CCCCCC2 34a_100015204231_100011352542 [0,0,0,0,0,2|0,0,1]=3 17638 B19R2.207091 C(#Cc1ccccc1)COCC2CCCCCC2 34a_100000699130_100011352542 [0,0,0,0,0,2|1,0,1]=4 17639 B19R2.207091 C(#Cc1ccccc1)COCC2CCCCCC2 34a_100011217464_200000696569 [0,0,0,0,0,2|1,0,1]=4 17640 B19R2.207091 C(#Cc1ccccc1)COCC2CCCCCC2 7a_100000699130_100011352542 [0,0,0,0,0,2|1,0,1]=4 17641 B19R2.207091 C(#Cc1ccccc1)COCC2CCCCCC2 7a_100011217464_200000696569 [0,0,0,0,0,2|1,0,1]=4 17642 B19R2.207091 C(#Cc1ccccc1)CSCC2CCCCCC2 62a_200000696569_100011352542 [0,0,0,0,0,2|1,0,1]=4 17643 B19R2.207091 C(#Cc1ccccn1)CCOC2CCCCCC2 34a_200011894334_100011217769 [0,0,0,0,0,2|2,0,0]=4 17644 B19R2.207091 C(#Cc1cccnc1)CCOC2CCCCCC2 34a_200011376248_100011217769 [0,0,0,0,0,2|2,0,0]=4 17645 B19R2.207091 C(#Cc1ccncc1)CCOC2CCCCCC2 34a_100011894394_100011217769 [0,0,0,0,0,2|2,0,0]=4 17646 B19R2.207091 C(=C/c1ccccc1)\CNCC2CCCCCC2 2230a_100015204231_100016265936 [0,0,0,0,0,2|0,0,1]=3 17647 B19R2.207091 C(=C/c1ccccc1)\CNCC2CCCCCC2 2230a_100020603302_200000696569 [0,0,0,0,0,2|0,0,1]=3 17648 B19R2.207091 C(=C/c1ccccc1)\CNCC2CCCCCC2 34a_100015204231_100016265936 [0,0,0,0,0,2|0,0,1]=3 17649 B19R2.207091 C(=C/c1ccccc1)\CNCC2CCCCCC2 34a_100020603302_200000696569 [0,0,0,0,0,2|0,0,1]=3 17650 B19R2.207091 C(=C/c1ccccc1)\COCC2CCCCCC2 34a_100000210256_200000696569 [0,0,0,0,0,2|1,0,1]=4 17651 B19R2.207091 C(=C/c1ccccc1)\COCC2CCCCCC2 34a_100000699130_100016265936 [0,0,0,0,0,2|1,0,1]=4 17652 B19R2.207091 C(=C/c1ccccc1)\COCC2CCCCCC2 7a_100000699130_100016265936 [0,0,0,0,0,2|1,0,1]=4 17653 B19R2.207091 C(=C/c1ccccc1)\CSCC2CCCCCC2 62a_100016265936_200000696569 [0,0,0,0,0,2|1,0,1]=4 17654 B19R2.207091 C(=C/c1ccccc1)\CSCC2CCCCCC2 62a_200000696569_100016265936 [0,0,0,0,0,2|1,0,1]=4 17655 B19R2.207091 C(=Cc1ccccc1)CNCC2CCCCCC2 270004a_100015204231_100000210105 [0,0,0,0,0,2|0,0,1]=3 17656 B19R2.207091 C(=NNCCc1ccccc1)C2CCCCCC2 4a_100000740470_200000763224 [0,0,0,0,0,2|0,0,0]=2 17657 B19R2.207091 c1cc(ccn1)CCCCNC2CCCCCC2 2230a_100000210984_100020630000 [0,0,0,0,0,2|1,0,0]=3 17658 B19R2.207091 c1cc(ccn1)CCCCOC2CCCCCC2 34a_100011787716_100011217769 [0,0,0,0,0,2|2,0,0]=4 17659 B19R2.207091 c1cc(ccn1)CCCCOC2CCCCCC2 7a_100000210887_100020630000 [0,0,0,0,0,2|2,0,0]=4 17660 B19R2.207091 c1cc(ccn1)CCCCSC2CCCCCC2 62a_100011217769_100020630000 [0,0,0,0,0,2|2,0,0]=4 17661 B19R2.207091 c1cc(ccn1)CCCCSC2CCCCCC2 62a_100020630000_100011217769 [0,0,0,0,0,2|2,0,0]=4 17662 B19R2.207091 c1cc(ccn1)CCCNCC2CCCCCC2 2230a_100011275580_200000696569 [0,0,0,0,0,2|1,0,0]=3 17663 B19R2.207091 c1cc(ccn1)CCCNCC2CCCCCC2 269862a_100011275580_200000763224 [0,0,0,0,0,2|1,0,0]=3 17664 B19R2.207091 c1cc(ccn1)CCCOCC2CCCCCC2 34a_100000210659_200000696569 [0,0,0,0,0,2|2,0,0]=4 17665 B19R2.207091 c1cc(ccn1)CCNCCC2CCCCCC2 2230a_100011532351_100000723409 [0,0,0,0,0,2|1,0,0]=3 17666 B19R2.207091 c1cc(ccn1)NCCOCC2CCCCCC2 34a_200011243140_200000696569 [0,0,0,0,0,2|2,0,0]=4 17667 B19R2.207091 c1cc(ccn1)OCCNCC2CCCCCC2 269862a_100025717301_200000763224 [0,0,0,0,0,2|1,0,0]=3 17668 B19R2.207091 c1ccc(cc1)CCCCCN2CCCCCC2 2230a_100000185865_200011217138 [0,0,0,0,0,2|2,0,0]=4 17669 B19R2.207091 c1ccc(cc1)CCCCCN2CCCCCC2 269982a_100000185865_200011217138 [0,0,0,0,0,2|2,0,0]=4 17670 B19R2.207091 c1ccc(cc1)CCCCCN2CCCCCC2 34a_100000185865_200011217138 [0,0,0,0,0,2|2,0,0]=4 17671 B19R2.207091 c1ccc(cc1)CCCCNC2CCCCCC2 2230a_100000210984_100000701786 [0,0,0,0,0,2|0,0,0]=2 17672 B19R2.207091 c1ccc(cc1)CCCCNC2CCCCCC2 270004a_100015280158_100000210131 [0,0,0,0,0,2|0,0,0]=2 17673 B19R2.207091 c1ccc(cc1)CCCCNC2CCCCCC2 34a_100000210984_100000701786 [0,0,0,0,0,2|0,0,0]=2 17674 B19R2.207091 c1ccc(cc1)CCCCNC2CCCCCC2 34a_100015280158_100011217769 [0,0,0,0,0,2|0,0,0]=2 17675 B19R2.207091 c1ccc(cc1)CCCCNC2CCCNCC2 270004a_100015280158_100015187895 [0,0,0,0,0,2|1,0,0]=3 17676 B19R2.207091 c1ccc(cc1)CCCCNC2CSCCSC2 270004a_100015280158_100000068409 [0,0,0,0,0,2|2,0,0]=4 17677 B19R2.207091 c1ccc(cc1)CCCCOC2CCCCCC2 34a_100000210887_100000701786 [0,0,0,0,0,2|1,0,0]=3 17678 B19R2.207091 c1ccc(cc1)CCCCOC2CCCCCC2 34a_100000703073_100011217769 [0,0,0,0,0,2|1,0,0]=3 17679 B19R2.207091 c1ccc(cc1)CCCCOC2CCCCCC2 7a_100000210887_100000701786 [0,0,0,0,0,2|1,0,0]=3 17680 B19R2.207091 c1ccc(cc1)CCCCSC2CCCCCC2 62a_100000701786_100011217769 [0,0,0,0,0,2|1,0,0]=3 17681 B19R2.207091 c1ccc(cc1)CCCCSC2CCCCCC2 62a_100011217769_100000701786 [0,0,0,0,0,2|1,0,0]=3 17682 B19R2.207091 c1ccc(cc1)CCCNCC2CCCCCC2 2230a_100000211184_200000696569 [0,0,0,0,0,2|0,0,0]=2 17683 B19R2.207091 c1ccc(cc1)CCCNCC2CCCCCC2 2230a_100015204231_100000211621 [0,0,0,0,0,2|0,0,0]=2 17684 B19R2.207091 c1ccc(cc1)CCCNCC2CCCCCC2 269862a_100000211184_200000763224 [0,0,0,0,0,2|0,0,0]=2 17685 B19R2.207091 c1ccc(cc1)CCCNCC2CCCCCC2 34a_100000211184_200000696569 [0,0,0,0,0,2|0,0,0]=2 17686 B19R2.207091 c1ccc(cc1)CCCNCC2CCCCCC2 34a_100015204231_100000211621 [0,0,0,0,0,2|0,0,0]=2 17687 B19R2.207091 c1ccc(cc1)CCCOCC2CCCCCC2 34a_100000210828_200000696569 [0,0,0,0,0,2|1,0,0]=3 17688 B19R2.207091 c1ccc(cc1)CCCOCC2CCCCCC2 34a_100000699130_100000211621 [0,0,0,0,0,2|1,0,0]=3 17689 B19R2.207091 c1ccc(cc1)CCCOCC2CCCCCC2 7a_100000210828_200000696569 [0,0,0,0,0,2|1,0,0]=3 17690 B19R2.207091 c1ccc(cc1)CCCOCC2CCCCCC2 7a_100000699130_100000211621 [0,0,0,0,0,2|1,0,0]=3 17691 B19R2.207091 c1ccc(cc1)CCCSCC2CCCCCC2 62a_100000211621_200000696569 [0,0,0,0,0,2|1,0,0]=3 17692 B19R2.207091 c1ccc(cc1)CCCSCC2CCCCCC2 62a_200000696569_100000211621 [0,0,0,0,0,2|1,0,0]=3 17693 B19R2.207091 c1ccc(cc1)CCNCCC2CCCCCC2 2230a_100011532351_100000765856 [0,0,0,0,0,2|0,0,0]=2 17694 B19R2.207091 c1ccc(cc1)CCNCCC2CCCCCC2 34a_100011532351_100000765856 [0,0,0,0,0,2|0,0,0]=2 17695 B19R2.207091 c1ccc(cc1)CCOCCN2CCCCCC2 34a_100000238007_100000765856 [0,0,0,0,0,2|2,0,0]=4 17696 B19R2.207091 c1ccc(cc1)CCOCCN2CCCCCC2 7a_100000210268_100000722644 [0,0,0,0,0,2|2,0,0]=4 17697 B19R2.207091 c1ccc(cc1)CCSCCN2CCCCCC2 62a_100000722644_100011218657 [0,0,0,0,0,2|2,0,0]=4 17698 B19R2.207091 c1ccc(cc1)CCSCCN2CCCCCC2 62a_100000765856_100000722644 [0,0,0,0,0,2|2,0,0]=4 17699 B19R2.207091 c1ccc(cc1)CNCCCN2CCCCCC2 207a_100000181460_100015611070 [0,0,0,0,0,2|2,0,0]=4 17700 B19R2.207091 c1ccc(cc1)CNCCCN2CCCCCC2 270004a_100000181460_100015611070 [0,0,0,0,0,2|2,0,0]=4 17701 B19R2.207091 c1ccc(cc1)CNCCOC2CCCCCC2 34a_100000180844_100011217769 [0,0,0,0,0,2|1,0,0]=3 17702 B19R2.207091 c1ccc(cc1)COCCCN2CCCCCC2 2230a_100000185865_100011215529 [0,0,0,0,0,2|2,0,0]=4 17703 B19R2.207091 c1ccc(cc1)COCCCN2CCCCCC2 269982a_100000185865_100011215529 [0,0,0,0,0,2|2,0,0]=4 17704 B19R2.207091 c1ccc(cc1)COCCCN2CCCCCC2 34a_100000185865_100011215529 [0,0,0,0,0,2|2,0,0]=4 17705 B19R2.207091 c1ccc(cc1)COCCCN2CCCCCC2 34a_100102886287_100015291786 [0,0,0,0,0,2|2,0,0]=4 17706 B19R2.207091 c1ccc(cc1)COCCCN2CCCCCC2 7a_100102886287_100000211182 [0,0,0,0,0,2|2,0,0]=4 17707 B19R2.207091 c1ccc(cc1)COCCNC2CCCCCC2 2230a_100000210984_100000234347 [0,0,0,0,0,2|0,0,0]=2 17708 B19R2.207091 c1ccc(cc1)COCCNC2CCCCCC2 270004a_100000753106_100000210131 [0,0,0,0,0,2|0,0,0]=2 17709 B19R2.207091 c1ccc(cc1)COCCNC2CCCCCC2 34a_100000210984_100000234347 [0,0,0,0,0,2|0,0,0]=2 17710 B19R2.207091 c1ccc(cc1)COCCNC2CCCCCC2 34a_100000753106_100011217769 [0,0,0,0,0,2|0,0,0]=2 17711 B19R2.207091 c1ccc(cc1)COCCNC2CCCNCC2 270004a_100000753106_100015187895 [0,0,0,0,0,2|1,0,0]=3 17712 B19R2.207091 c1ccc(cc1)COCCNC2CSCCSC2 270004a_100000753106_100000068409 [0,0,0,0,0,2|2,0,0]=4 17713 B19R2.207091 c1ccc(cc1)COCCOC2CCCCCC2 34a_100000210887_100000234347 [0,0,0,0,0,2|1,0,0]=3 17714 B19R2.207091 c1ccc(cc1)COCCOC2CCCCCC2 34a_100000759325_100011217769 [0,0,0,0,0,2|1,0,0]=3 17715 B19R2.207091 c1ccc(cc1)COCCOC2CCCCCC2 7a_100000210887_100000234347 [0,0,0,0,0,2|1,0,0]=3 17716 B19R2.207091 c1ccc(cc1)COCCSC2CCCCCC2 62a_100000234347_100011217769 [0,0,0,0,0,2|1,0,0]=3 17717 B19R2.207091 c1ccc(cc1)COCCSC2CCCCCC2 62a_100011217769_100000234347 [0,0,0,0,0,2|1,0,0]=3 17718 B19R2.207091 c1ccc(cc1)COCNCC2CCCCCC2 2230a_100015204231_100000763385 [0,0,0,0,0,2|0,0,0]=2 17719 B19R2.207091 c1ccc(cc1)COCNCC2CCCCCC2 34a_100015204231_100000763385 [0,0,0,0,0,2|0,0,0]=2 17720 B19R2.207091 c1ccc(cc1)COCOCC2CCCCCC2 34a_100000699130_100000763385 [0,0,0,0,0,2|1,0,0]=3 17721 B19R2.207091 c1ccc(cc1)COCSCC2CCCCCC2 62a_100000763385_200000696569 [0,0,0,0,0,2|1,0,0]=3 17722 B19R2.207091 c1ccc(cc1)COCSCC2CCCCCC2 62a_200000696569_100000763385 [0,0,0,0,0,2|1,0,0]=3 17723 B19R2.207091 c1ccc(cc1)CSCCNC2CCCCCC2 2230a_100000210984_200011297719 [0,0,0,0,0,2|0,0,0]=2 17724 B19R2.207091 c1ccc(cc1)CSCCNC2CCCCCC2 270004a_100000189534_100000210131 [0,0,0,0,0,2|0,0,0]=2 17725 B19R2.207091 c1ccc(cc1)CSCCNC2CCCCCC2 34a_100000189534_100011217769 [0,0,0,0,0,2|0,0,0]=2 17726 B19R2.207091 c1ccc(cc1)CSCCNC2CCCCCC2 34a_100000210984_200011297719 [0,0,0,0,0,2|0,0,0]=2 17727 B19R2.207091 c1ccc(cc1)CSCCNC2CCCNCC2 270004a_100000189534_100015187895 [0,0,0,0,0,2|1,0,0]=3 17728 B19R2.207091 c1ccc(cc1)CSCCNC2CSCCSC2 270004a_100000189534_100000068409 [0,0,0,0,0,2|2,0,0]=4 17729 B19R2.207091 c1ccc(cc1)CSCCOC2CCCCCC2 34a_100000210887_200011297719 [0,0,0,0,0,2|1,0,0]=3 17730 B19R2.207091 c1ccc(cc1)CSCCOC2CCCCCC2 34a_100011205989_100011217769 [0,0,0,0,0,2|1,0,0]=3 17731 B19R2.207091 c1ccc(cc1)CSCCSC2CCCCCC2 62a_100011217769_200011297719 [0,0,0,0,0,2|1,0,0]=3 17732 B19R2.207091 c1ccc(cc1)CSCCSC2CCCCCC2 62a_200011297719_100011217769 [0,0,0,0,0,2|1,0,0]=3 17733 B19R2.207091 c1ccc(cc1)CSCNCC2CCCCCC2 2230a_100015204231_200011217039 [0,0,0,0,0,2|0,0,0]=2 17734 B19R2.207091 c1ccc(cc1)CSCNCC2CCCCCC2 34a_100015204231_200011217039 [0,0,0,0,0,2|0,0,0]=2 17735 B19R2.207091 c1ccc(cc1)CSCOCC2CCCCCC2 34a_100000699130_200011217039 [0,0,0,0,0,2|1,0,0]=3 17736 B19R2.207091 c1ccc(cc1)CSCSCC2CCCCCC2 62a_200000696569_200011217039 [0,0,0,0,0,2|1,0,0]=3 17737 B19R2.207091 c1ccc(cc1)CSCSCC2CCCCCC2 62a_200011217039_200000696569 [0,0,0,0,0,2|1,0,0]=3 17738 B19R2.207091 c1ccc(cc1)NCCCOC2CCCCCC2 34a_100000212590_100011217769 [0,0,0,0,0,2|1,0,0]=3 17739 B19R2.207091 c1ccc(cc1)NCCOCC2CCCCCC2 34a_100000211345_200000696569 [0,0,0,0,0,2|1,0,0]=3 17740 B19R2.207091 c1ccc(cc1)OCCCCN2CCCCCC2 2230a_100000185865_100011215240 [0,0,0,0,0,2|2,0,0]=4 17741 B19R2.207091 c1ccc(cc1)OCCCCN2CCCCCC2 269982a_100000185865_100011215240 [0,0,0,0,0,2|2,0,0]=4 17742 B19R2.207091 c1ccc(cc1)OCCCCN2CCCCCC2 34a_100000185865_100011215240 [0,0,0,0,0,2|2,0,0]=4 17743 B19R2.207091 c1ccc(cc1)OCCCNC2CCCCCC2 2230a_100000210984_100000199009 [0,0,0,0,0,2|0,0,0]=2 17744 B19R2.207091 c1ccc(cc1)OCCCNC2CCCCCC2 270004a_100000216521_100000210131 [0,0,0,0,0,2|0,0,0]=2 17745 B19R2.207091 c1ccc(cc1)OCCCNC2CCCCCC2 34a_100000210984_100000199009 [0,0,0,0,0,2|0,0,0]=2 17746 B19R2.207091 c1ccc(cc1)OCCCNC2CCCCCC2 34a_100000216521_100011217769 [0,0,0,0,0,2|0,0,0]=2 17747 B19R2.207091 c1ccc(cc1)OCCCNC2CCCNCC2 270004a_100000216521_100015187895 [0,0,0,0,0,2|1,0,0]=3 17748 B19R2.207091 c1ccc(cc1)OCCCNC2CSCCSC2 270004a_100000216521_100000068409 [0,0,0,0,0,2|2,0,0]=4 17749 B19R2.207091 c1ccc(cc1)OCCCOC2CCCCCC2 34a_100000210887_100000199009 [0,0,0,0,0,2|1,0,0]=3 17750 B19R2.207091 c1ccc(cc1)OCCCOC2CCCCCC2 34a_100011215863_100011217769 [0,0,0,0,0,2|1,0,0]=3 17751 B19R2.207091 c1ccc(cc1)OCCCOC2CCCCCC2 7a_100000210887_100000199009 [0,0,0,0,0,2|1,0,0]=3 17752 B19R2.207091 c1ccc(cc1)OCCCSC2CCCCCC2 62a_100000199009_100011217769 [0,0,0,0,0,2|1,0,0]=3 17753 B19R2.207091 c1ccc(cc1)OCCCSC2CCCCCC2 62a_100011217769_100000199009 [0,0,0,0,0,2|1,0,0]=3 17754 B19R2.207091 c1ccc(cc1)OCCNCC2CCCCCC2 2230a_100000174943_200000696569 [0,0,0,0,0,2|0,0,0]=2 17755 B19R2.207091 c1ccc(cc1)OCCNCC2CCCCCC2 2230a_100015204231_100000184471 [0,0,0,0,0,2|0,0,0]=2 17756 B19R2.207091 c1ccc(cc1)OCCNCC2CCCCCC2 269862a_100000174943_200000763224 [0,0,0,0,0,2|0,0,0]=2 17757 B19R2.207091 c1ccc(cc1)OCCNCC2CCCCCC2 270004a_100015204231_100000758736 [0,0,0,0,0,2|0,0,0]=2 17758 B19R2.207091 c1ccc(cc1)OCCNCC2CCCCCC2 34a_100000174943_200000696569 [0,0,0,0,0,2|0,0,0]=2 17759 B19R2.207091 c1ccc(cc1)OCCNCC2CCCCCC2 34a_100015204231_100000184471 [0,0,0,0,0,2|0,0,0]=2 17760 B19R2.207091 c1ccc(cc1)OCCOCC2CCCCCC2 34a_100000210260_200000696569 [0,0,0,0,0,2|1,0,0]=3 17761 B19R2.207091 c1ccc(cc1)OCCOCC2CCCCCC2 34a_100000699130_100000184471 [0,0,0,0,0,2|1,0,0]=3 17762 B19R2.207091 c1ccc(cc1)OCCOCC2CCCCCC2 7a_100000210260_200000696569 [0,0,0,0,0,2|1,0,0]=3 17763 B19R2.207091 c1ccc(cc1)OCCOCC2CCCCCC2 7a_100000699130_100000184471 [0,0,0,0,0,2|1,0,0]=3 17764 B19R2.207091 c1ccc(cc1)OCCSCC2CCCCCC2 62a_100000184471_200000696569 [0,0,0,0,0,2|1,0,0]=3 17765 B19R2.207091 c1ccc(cc1)OCCSCC2CCCCCC2 62a_200000696569_100000184471 [0,0,0,0,0,2|1,0,0]=3 17766 B19R2.207091 c1ccc(cc1)SCCCNC2CCCCCC2 2230a_100000210984_200011203293 [0,0,0,0,0,2|0,0,0]=2 17767 B19R2.207091 c1ccc(cc1)SCCCNC2CCCCCC2 270004a_100000184639_100000210131 [0,0,0,0,0,2|0,0,0]=2 17768 B19R2.207091 c1ccc(cc1)SCCCNC2CCCCCC2 34a_100000210984_200011203293 [0,0,0,0,0,2|0,0,0]=2 17769 B19R2.207091 c1ccc(cc1)SCCCNC2CCCNCC2 270004a_100000184639_100015187895 [0,0,0,0,0,2|1,0,0]=3 17770 B19R2.207091 c1ccc(cc1)SCCCNC2CSCCSC2 270004a_100000184639_100000068409 [0,0,0,0,0,2|2,0,0]=4 17771 B19R2.207091 c1ccc(cc1)SCCCOC2CCCCCC2 34a_100000210887_200011203293 [0,0,0,0,0,2|1,0,0]=3 17772 B19R2.207091 c1ccc(cc1)SCCCOC2CCCCCC2 7a_100000210887_200011203293 [0,0,0,0,0,2|1,0,0]=3 17773 B19R2.207091 c1ccc(cc1)SCCCSC2CCCCCC2 62a_100011217769_200011203293 [0,0,0,0,0,2|1,0,0]=3 17774 B19R2.207091 c1ccc(cc1)SCCCSC2CCCCCC2 62a_200011203293_100011217769 [0,0,0,0,0,2|1,0,0]=3 17775 B19R2.207091 c1ccc(cc1)SCCNCC2CCCCCC2 2230a_100000189519_200000696569 [0,0,0,0,0,2|0,0,0]=2 17776 B19R2.207091 c1ccc(cc1)SCCNCC2CCCCCC2 2230a_100015204231_100000246102 [0,0,0,0,0,2|0,0,0]=2 17777 B19R2.207091 c1ccc(cc1)SCCNCC2CCCCCC2 269862a_100000189519_200000763224 [0,0,0,0,0,2|0,0,0]=2 17778 B19R2.207091 c1ccc(cc1)SCCNCC2CCCCCC2 34a_100015204231_100000246102 [0,0,0,0,0,2|0,0,0]=2 17779 B19R2.207091 c1ccc(cc1)SCCOCC2CCCCCC2 34a_100000699130_100000246102 [0,0,0,0,0,2|1,0,0]=3 17780 B19R2.207091 c1ccc(cc1)SCCOCC2CCCCCC2 7a_100000230494_200000696569 [0,0,0,0,0,2|1,0,0]=3 17781 B19R2.207091 c1ccc(cc1)SCCOCC2CCCCCC2 7a_100000699130_100000246102 [0,0,0,0,0,2|1,0,0]=3 17782 B19R2.207091 c1ccc(cc1)SCCSCC2CCCCCC2 62a_100000246102_200000696569 [0,0,0,0,0,2|1,0,0]=3 17783 B19R2.207091 c1ccc(cc1)SCCSCC2CCCCCC2 62a_200000696569_100000246102 [0,0,0,0,0,2|1,0,0]=3 17784 B19R2.207091 c1ccc(cc1)SCNCCC2CCCCCC2 2230a_100011532351_100011218342 [0,0,0,0,0,2|1,0,0]=3 17785 B19R2.207091 c1ccc(cc1)SCSCCN2CCCCCC2 62a_100000722644_100011218342 [0,0,0,0,0,2|2,0,0]=4 17786 B19R2.207091 c1ccc(cc1)SCSCCN2CCCCCC2 62a_100011218342_100000722644 [0,0,0,0,0,2|2,0,0]=4 17787 B19R2.207091 c1ccc(nc1)CCCCOC2CCCCCC2 34a_100012186994_100011217769 [0,0,0,0,0,2|2,0,0]=4 17788 B19R2.207091 c1ccc(nc1)CCCNCC2CCCCCC2 269862a_100000689020_200000763224 [0,0,0,0,0,2|1,0,0]=3 17789 B19R2.207091 c1ccc(nc1)CCCOCC2CCCCCC2 34a_100011215068_200000696569 [0,0,0,0,0,2|2,0,0]=4 17790 B19R2.207091 c1ccc(nc1)CCNCCC2CCCCCC2 2230a_100011532351_100015183660 [0,0,0,0,0,2|1,0,0]=3 17791 B19R2.207091 c1ccc(nc1)OCCNCC2CCCCCC2 2230a_106741647558_200000696569 [0,0,0,0,0,2|1,0,0]=3 17792 B19R2.207091 c1ccc(nc1)OCCNCC2CCCCCC2 269862a_106741647558_200000763224 [0,0,0,0,0,2|1,0,0]=3 17793 B19R2.207091 c1ccc(nc1)SCCOCC2CCCCCC2 7a_100000156319_200000696569 [0,0,0,0,0,2|2,0,0]=4 17794 B19R2.207091 c1ccc(nc1)SSCCNC2CCCCCC2 270004a_100016995281_100000210131 [0,0,0,0,0,2|1,0,0]=3 17795 B19R2.207091 c1ccc(nc1)SSCCNC2CCCNCC2 270004a_100016995281_100015187895 [0,0,0,0,0,2|2,0,0]=4 17796 B19R2.207091 c1cncc(c1)CCCCOC2CCCCCC2 34a_100012039607_100011217769 [0,0,0,0,0,2|2,0,0]=4 17797 B19R2.207091 c1cncc(c1)CCCNCC2CCCCCC2 2230a_100011532358_200000696569 [0,0,0,0,0,2|1,0,0]=3 17798 B19R2.207091 c1cncc(c1)CCCNCC2CCCCCC2 269862a_100011532358_200000763224 [0,0,0,0,0,2|1,0,0]=3 17799 B19R2.207091 c1cncc(c1)CCCNCC2CCCCCC2 34a_100011532358_200000696569 [0,0,0,0,0,2|1,0,0]=3 17800 B19R2.207091 c1cncc(c1)CCCOCC2CCCCCC2 34a_100000211284_200000696569 [0,0,0,0,0,2|2,0,0]=4 17801 B19R2.207091 c1cncc(c1)CCNCCC2CCCCCC2 2230a_100011532351_200011713674 [0,0,0,0,0,2|1,0,0]=3 17802 B19R2.207091 c1cncc(c1)OCCNCC2CCCCCC2 2230a_100000754688_200000696569 [0,0,0,0,0,2|1,0,0]=3 17803 B19R2.207091 c1cncc(c1)OCCNCC2CCCCCC2 269862a_100000754688_200000763224 [0,0,0,0,0,2|1,0,0]=3