0 B18R3.4953944 Cn1c2c(c3c1ccc(c3)O)CCCC2=O 271570a_203496583355_100009812800 [0,0,0,0,0,0|1,0,2]=3 1 B17R3.284867 O=C1CCCc2c1[nH]c3c2cc(cc3)O 271570a_203496583355_100000697556 [1,0,0,0,0,0|1,0,2]=4 2 B19R3.1250391 CNC1CCCc2c1n(c3c2cc(cc3)Br)C 269862a_106832991636_100009812800 [0,1,0,0,0,0|2,0,0]=3 3 B19R3.3305587 C=Cc1ccc2c(c1)c3c(n2C)C(=O)CCC3 271570a_100011290941_100009812800 [0,1,0,0,0,0|0,0,3]=4 4 B19R3.3305587 CSc1ccc2c(c1)c3c(n2C)C(=O)CCC3 62a_100009812800_200000210301 [0,1,0,0,0,0|0,0,2]=3 5 B19R3.3305587 CSc1ccc2c(c1)c3c(n2C)C(=O)CCC3 62a_200000210301_100009812800 [0,1,0,0,0,0|0,0,2]=3 6 B19R3.3305587 Cn1c2c(c3c1ccc(c3)S[13CH3])CCCC2=O 62a_100009812800_200025704644 [0,1,0,0,0,0|0,0,2]=3 7 B19R3.3305587 Cn1c2c(c3c1ccc(c3)S[13CH3])CCCC2=O 62a_200025704644_100009812800 [0,1,0,0,0,0|0,0,2]=3 8 B17R2.381 CN(c1ccc(cc1)Br)C2CCCCC2O 269982a_100000219623_100000038908 [0,0,1,0,0,0|1,0,2]=4 9 B17R2.381 CN(c1ccc(cc1)Br)C2CCCCC2O 34a_100000219623_100000038908 [0,0,1,0,0,0|1,0,2]=4 10 B17R2.381 CN(c1ccc(cc1)Cl)C2CCCCC2O 269982a_100020629279_100000038908 [0,0,1,0,0,0|1,0,2]=4 11 B17R2.381 CN(c1ccc(cc1)Cl)C2CCCCC2O 34a_100020629279_100000038908 [0,0,1,0,0,0|1,0,2]=4 12 B17R2.381 CN(c1ccc(cc1)F)C2CCCCC2O 269982a_100000219829_100000038908 [0,0,1,0,0,0|1,0,2]=4 13 B17R2.381 CN(c1ccc(cc1)F)C2CCCCC2O 34a_100000219829_100000038908 [0,0,1,0,0,0|1,0,2]=4 14 B17R2.381 CN(c1ccc(cc1)I)C2CCCCC2O 269982a_100000743151_100000038908 [0,0,1,0,0,0|1,0,2]=4 15 B17R2.381 CN(c1ccc(cc1)I)C2CCCCC2O 34a_100000743151_100000038908 [0,0,1,0,0,0|1,0,2]=4 16 B17R2.381 CN(c1ccc(cc1)O)C2CCCCC2O 269982a_100000182112_100000038908 [0,0,1,0,0,0|1,0,2]=4 17 B17R2.381 CN(c1ccc(cc1)O)C2CCCCC2O 34a_100000182112_100000038908 [0,0,1,0,0,0|1,0,2]=4 18 B17R2.381 Cc1ccc(cc1)N(C)C2CCCCC2F 269982a_100000219977_100015423560 [0,0,1,0,0,0|1,0,2]=4 19 B17R2.381 Cc1ccc(cc1)N(C)C2CCCCC2F 34a_100000219977_100015423560 [0,0,1,0,0,0|1,0,2]=4 20 B17R2.381 Cc1ccc(cc1)N(C)C2CCCCC2O 269982a_100000219977_100000038908 [0,0,1,0,0,0|0,0,2]=3 21 B17R2.381 Cc1ccc(cc1)N(C)C2CCCCC2O 34a_100000219977_100000038908 [0,0,1,0,0,0|0,0,2]=3 22 B17R2.12249 CNc1ccc(cc1C2=CC(=O)CCC2)C 271570a_100000723966_100000221369 [0,0,1,0,0,0|0,0,2]=3 23 B17R2.12249 CNc1ccc(cc1C2=CC(=O)CCC2)F 271570a_100000723966_100011246292 [0,0,1,0,0,0|1,0,2]=4 24 B17R2.12249 COc1ccc(cc1C2=CC(=O)CCC2)C 271570a_100000723966_100000186399 [0,0,1,0,0,0|1,0,2]=4 25 B17R2.12249 CSc1ccc(cc1C2=CC(=O)CCC2)C 271570a_100000723966_200010201864 [0,0,1,0,0,0|1,0,2]=4 26 B17R2.12249 Cc1ccc(c(c1)C2=CC(=O)CCC2)NN 271570a_100000723966_100016996181 [0,0,1,0,0,0|1,0,2]=4 27 B17R2.982539 CCCCSc1nn(c2c1cc(cc2)C)C 62a_100000210211_100000123007 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.982539 Cc1ccc2c(c1)c(nn2C)SCCCF 62a_100011934791_100000123007 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.982539 Cc1ccc2c(c1)c(nn2C)SCCCO 62a_100011215043_100000123007 [0,0,1,0,0,0|2,0,0]=3 30 B17R2.982539 Cn1nc(c2c1ccc(c2)Br)SCCCO 62a_100010161270_100011215043 [0,0,1,0,0,0|3,0,0]=4 31 B17R2.982539 Cn1nc(c2c1ccc(c2)Br)SCCCO 62a_100011215043_100010161270 [0,0,1,0,0,0|3,0,0]=4 32 B17R2.982539 Cn1nc(c2c1ccc(c2)F)SCCCO 62a_100011215043_200000123018 [0,0,1,0,0,0|3,0,0]=4 33 B17R2.982539 Cn1nc(c2c1ccc(c2)F)SCCCO 62a_200000123018_100011215043 [0,0,1,0,0,0|3,0,0]=4 34 B17R2.982539 Cn1nc(c2c1ccc(c2)N)SCCCO 62a_100010234897_100011215043 [0,0,1,0,0,0|3,0,0]=4 35 B17R2.982539 Cn1nc(c2c1ccc(c2)N)SCCCO 62a_100011215043_100010234897 [0,0,1,0,0,0|3,0,0]=4 36 B16R2.120 Cc1ccc(cc1)N(C)C2C=CCCC2 2230a_100000219977_100000751183 [1,0,1,0,0,0|0,0,2]=4 37 B16R2.120 Cc1ccc(cc1)N(C)C2C=CCCC2 269982a_100000219977_100000751183 [1,0,1,0,0,0|0,0,2]=4 38 B16R2.120 Cc1ccc(cc1)N(C)C2CCCCC2 269982a_100000219977_100000210327 [1,0,1,0,0,0|0,0,2]=4 39 B16R2.120 Cc1ccc(cc1)N(C)C2CCCCC2 34a_100000219977_100000210327 [1,0,1,0,0,0|0,0,2]=4 40 B16R2.1129 Cc1ccc(cc1)NC2CCCCC2O 34a_100000124888_100000038908 [1,0,1,0,0,0|0,0,2]=4 41 B16R2.3896 CN(c1ccccc1)C2CCCCC2O 269982a_100000210012_100000038908 [1,0,1,0,0,0|0,0,2]=4 42 B16R2.3896 CN(c1ccccc1)C2CCCCC2O 34a_100000210012_100000038908 [1,0,1,0,0,0|0,0,2]=4 43 B16R2.2245 CNc1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100020606079 [1,0,1,0,0,0|0,0,2]=4 44 B16R2.2443 CCc1cnc(cc1C2=CCCCC2)C 271570a_100000062251_100010291839 [1,0,1,0,0,0|2,0,0]=4 45 B16R2.2443 CNc1ccc(cc1C2=CCCCC2)C 271570a_100000062251_100000221369 [1,0,1,0,0,0|0,0,0]=2 46 B16R2.2443 CNc1ccc(cc1C2=CCCCC2)F 271570a_100000062251_100011246292 [1,0,1,0,0,0|1,0,0]=3 47 B16R2.2443 CNc1ccc(cc1C2=CCCCO2)C 271570a_100010177797_100000221369 [1,0,1,0,0,0|1,0,0]=3 48 B16R2.2443 CNc1ccc(cc1C2=CCCCO2)F 271570a_100010177797_100011246292 [1,0,1,0,0,0|2,0,0]=4 49 B16R2.2443 CNc1ccc(cc1C2=CCNCC2)C 271570a_100000731432_100000221369 [1,0,1,0,0,0|1,0,0]=3 50 B16R2.2443 CNc1ccc(cc1C2=CCNCC2)F 271570a_100000731432_100011246292 [1,0,1,0,0,0|2,0,0]=4 51 B16R2.2443 CNc1ccc(cc1C2=CCOCC2)C 271570a_100000070234_100000221369 [1,0,1,0,0,0|1,0,0]=3 52 B16R2.2443 CNc1ccc(cc1C2=CCOCC2)F 271570a_100000070234_100011246292 [1,0,1,0,0,0|2,0,0]=4 53 B16R2.2443 CNc1ccc(cc1C2=CCSCC2)C 271570a_100010232141_100000221369 [1,0,1,0,0,0|1,0,0]=3 54 B16R2.2443 CNc1ccc(cc1C2=CCSCC2)F 271570a_100010232141_100011246292 [1,0,1,0,0,0|2,0,0]=4 55 B16R2.2443 CNc1ccc(cc1C2=COCCC2)C 271570a_100010175576_100000221369 [1,0,1,0,0,0|1,0,0]=3 56 B16R2.2443 CNc1ccc(cc1C2=COCCC2)F 271570a_100010175576_100011246292 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.2443 COc1ccc(cc1C2=CCCCC2)Br 271570a_100000062251_100012351588 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.2443 COc1ccc(cc1C2=CCCCC2)C 271570a_100000062251_100000186399 [1,0,1,0,0,0|1,0,0]=3 59 B16R2.2443 COc1ccc(cc1C2=CCCCC2)Cl 271570a_100000062251_100011215930 [1,0,1,0,0,0|2,0,0]=4 60 B16R2.2443 COc1ccc(cc1C2=CCCCC2)F 271570a_100000062251_100000171694 [1,0,1,0,0,0|2,0,0]=4 61 B16R2.2443 COc1ccc(cc1C2=CCCCC2)N 271570a_100000062251_100000187427 [1,0,1,0,0,0|2,0,0]=4 62 B16R2.2443 COc1ccc(cc1C2=CCCCC2)O 271570a_100000062251_100010084122 [1,0,1,0,0,0|2,0,0]=4 63 B16R2.2443 COc1ccc(cc1C2=CCCCO2)C 271570a_100010177797_100000186399 [1,0,1,0,0,0|2,0,0]=4 64 B16R2.2443 COc1ccc(cc1C2=CCNCC2)C 271570a_100000731432_100000186399 [1,0,1,0,0,0|2,0,0]=4 65 B16R2.2443 COc1ccc(cc1C2=CCOCC2)C 271570a_100000070234_100000186399 [1,0,1,0,0,0|2,0,0]=4 66 B16R2.2443 COc1ccc(cc1C2=CCSCC2)C 271570a_100010232141_100000186399 [1,0,1,0,0,0|2,0,0]=4 67 B16R2.2443 COc1ccc(cc1C2=COCCC2)C 271570a_100010175576_100000186399 [1,0,1,0,0,0|2,0,0]=4 68 B16R2.2443 COc1ccc(nc1C2=CCCCC2)C 271570a_100000062251_100009820875 [1,0,1,0,0,0|2,0,0]=4 69 B16R2.2443 COc1cnc(cc1C2=CCCCC2)C 271570a_100000062251_100010109759 [1,0,1,0,0,0|2,0,0]=4 70 B16R2.2443 COc1ncc(cc1C2=CCCCC2)C 271570a_100000062251_100012353929 [1,0,1,0,0,0|2,0,0]=4 71 B16R2.2443 CSc1ccc(cc1C2=CCCCC2)C 271570a_100000062251_200010201864 [1,0,1,0,0,0|1,0,0]=3 72 B16R2.2443 CSc1ccc(cc1C2=CCCCC2)F 271570a_100000062251_100009817003 [1,0,1,0,0,0|2,0,0]=4 73 B16R2.2443 CSc1ccc(cc1C2=CCCCO2)C 271570a_100010177797_200010201864 [1,0,1,0,0,0|2,0,0]=4 74 B16R2.2443 CSc1ccc(cc1C2=CCNCC2)C 271570a_100000731432_200010201864 [1,0,1,0,0,0|2,0,0]=4 75 B16R2.2443 CSc1ccc(cc1C2=CCOCC2)C 271570a_100000070234_200010201864 [1,0,1,0,0,0|2,0,0]=4 76 B16R2.2443 CSc1ccc(cc1C2=CCSCC2)C 271570a_100010232141_200010201864 [1,0,1,0,0,0|2,0,0]=4 77 B16R2.2443 CSc1ccc(cc1C2=COCCC2)C 271570a_100010175576_200010201864 [1,0,1,0,0,0|2,0,0]=4 78 B16R2.2443 Cc1ccc(c(c1)C2=CCCCC2)C#N 271570a_100000062251_100000693804 [1,0,1,0,0,0|2,0,0]=4 79 B16R2.2443 Cc1ccc(c(c1)C2=CCCCC2)C=O 271570a_100000062251_100000692596 [1,0,1,0,0,0|2,0,0]=4 80 B16R2.2443 Cc1ccc(c(c1)C2=CCCCC2)NN 271570a_100000062251_100016996181 [1,0,1,0,0,0|1,0,0]=3 81 B16R2.2443 Cc1ccc(c(c1)C2=CCCCO2)NN 271570a_100010177797_100016996181 [1,0,1,0,0,0|2,0,0]=4 82 B16R2.2443 Cc1ccc(c(c1)C2=CCNCC2)NN 271570a_100000731432_100016996181 [1,0,1,0,0,0|2,0,0]=4 83 B16R2.2443 Cc1ccc(c(c1)C2=CCOCC2)NN 271570a_100000070234_100016996181 [1,0,1,0,0,0|2,0,0]=4 84 B16R2.2443 Cc1ccc(c(c1)C2=CCSCC2)NN 271570a_100010232141_100016996181 [1,0,1,0,0,0|2,0,0]=4 85 B16R2.2443 Cc1ccc(c(c1)C2=COCCC2)NN 271570a_100010175576_100016996181 [1,0,1,0,0,0|2,0,0]=4 86 B16R2.2443 Cc1cnc(c(c1)C2=CCCCC2)NN 271570a_100000062251_100012357580 [1,0,1,0,0,0|2,0,0]=4 87 B16R2.2911 Cc1ccc(c(c1)C2=CC(=O)CCC2)C 271570a_100000723966_100000210833 [1,0,1,0,0,0|0,0,2]=4 88 B16R2.2911 Cc1ccc(c(c1)C2=CC(=O)CCC2)N 271570a_100000723966_100000210942 [1,0,1,0,0,0|0,0,2]=4 89 B16R2.12172 CCNCc1cc2cc(ccc2n1C)C 207a_100015525214_200000070775 [1,0,1,0,0,0|1,0,0]=3 90 B16R2.12172 CCNCc1cc2cc(ccc2n1C)C 270004a_100015525214_200000070775 [1,0,1,0,0,0|1,0,0]=3 91 B16R2.12172 CCOCc1nc2cc(ccc2n1C)C 7a_200011916830_100000210202 [1,0,1,0,0,0|2,0,0]=4 92 B16R2.6329 CCCNCc1cn(c2c1cccc2)C 34a_100011997738_100000210303 [1,0,1,0,0,0|2,0,0]=4 93 B16R2.6329 CCOCCc1cn(c2c1cccc2)C 34a_100000101561_100000210202 [1,0,1,0,0,0|2,0,0]=4 94 B16R2.6329 Cn1cc(c2c1cccc2)CCOCF 34a_100000101561_100015361967 [1,0,1,0,0,0|2,0,0]=4 95 B16R2.6329 Cn1cc(c2c1cccc2)CNCCF 34a_100011997738_100011217306 [1,0,1,0,0,0|2,0,0]=4 96 B16R2.6329 Cn1cc(c2c1cccc2)CNCCO 34a_100011997738_100000211926 [1,0,1,0,0,0|1,0,0]=3 97 B16R2.6329 Cn1cc(c2c1nccc2)SCCCO 62a_100011215043_100010205794 [1,0,1,0,0,0|2,0,0]=4 98 B16R2.6329 Cn1nc(c2c1cccc2)CNCCO 207a_100000210304_100011361492 [1,0,1,0,0,0|2,0,0]=4 99 B16R2.6329 Cn1nc(c2c1cccc2)CNCCO 270004a_100000210304_100011361492 [1,0,1,0,0,0|2,0,0]=4 100 B16R2.6329 Cn1nc(c2c1cccc2)CNCCO 34a_200011934655_100000211926 [1,0,1,0,0,0|2,0,0]=4 101 B16R2.6329 Cn1nc(c2c1cccc2)COCCO 34a_100011934675_100000211926 [1,0,1,0,0,0|2,0,0]=4 102 B16R2.6329 Cn1nc(c2c1cccc2)SCCCO 62a_100009817141_100011215043 [1,0,1,0,0,0|2,0,0]=4 103 B16R2.6329 Cn1nc(c2c1cccc2)SCCCO 62a_100011215043_100009817141 [1,0,1,0,0,0|2,0,0]=4 104 B16R2.165527 CCCCc1nn(c2c1cc(cc2)Br)C 271570a_100020621405_100010161270 [1,0,1,0,0,0|2,0,0]=4 105 B16R2.165527 CCCCc1nn(c2c1cc(cc2)C)C 271570a_100020621405_100000123007 [1,0,1,0,0,0|1,0,0]=3 106 B16R2.165527 CCCCc1nn(c2c1cc(cc2)F)C 271570a_100020621405_200000123018 [1,0,1,0,0,0|2,0,0]=4 107 B16R2.165527 CCCCc1nn(c2c1cc(cc2)N)C 271570a_100020621405_100010234897 [1,0,1,0,0,0|2,0,0]=4 108 B16R2.165527 CCCSc1nn(c2c1cc(cc2)C)C 62a_100000210303_100000123007 [1,0,1,0,0,0|2,0,0]=4 109 B16R2.165527 Cc1ccc2c(c1)c(nn2C)SCCO 62a_100000211926_100000123007 [1,0,1,0,0,0|2,0,0]=4 110 B16R2.205493 CCNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100000210202 [1,0,1,0,0,0|2,0,0]=4 111 B16R2.205493 Cc1ccc2[nH]cc(c2n1)SCCCO 62a_100011215043_100010212567 [1,0,1,0,0,0|2,0,0]=4 112 B16R2.205493 Cc1ccc2[nH]nc(c2c1)CNCCO 207a_100000210304_100000050950 [1,0,1,0,0,0|2,0,0]=4 113 B16R2.205493 Cc1ccc2[nH]nc(c2c1)CNCCO 270004a_100000210304_100000050950 [1,0,1,0,0,0|2,0,0]=4 114 B16R2.205493 Cc1ccc2[nH]nc(c2c1)SCCCO 62a_100011215043_100000123028 [1,0,1,0,0,0|2,0,0]=4 115 B16R2.205493 Cc1cnc2[nH]cc(c2c1)SCCCO 62a_100011215043_100010246215 [1,0,1,0,0,0|2,0,0]=4 116 B16R3.2583 Oc1ccc2[nH]c3c(c2c1)CCCC3 271570a_203496583355_100000728263 [2,0,0,0,0,0|1,0,0]=3 117 B16R3.2583 Oc1ccc2[nH]c3c(c2c1)CNCC3 271570a_203496583355_100000737321 [2,0,0,0,0,0|2,0,0]=4 118 B18R2.4367 COc1ccc(cc1)N(C)C2CCCCC2O 269982a_100000220023_100000038908 [0,1,1,0,0,0|0,0,2]=4 119 B18R2.4367 COc1ccc(cc1)N(C)C2CCCCC2O 34a_100000220023_100000038908 [0,1,1,0,0,0|0,0,2]=4 120 B18R2.10180 CCN(c1ccc(cc1)C)C2CCCCC2O 269982a_100000219985_100000038908 [0,1,1,0,0,0|0,0,2]=4 121 B18R2.10180 CCN(c1ccc(cc1)C)C2CCCCC2O 34a_100000219985_100000038908 [0,1,1,0,0,0|0,0,2]=4 122 B18R2.32588 Cc1ccc(cc1Br)N(C)C2CCCCC2O 269982a_100000707694_100000038908 [0,1,1,0,0,0|0,0,2]=4 123 B18R2.32588 Cc1ccc(cc1Br)N(C)C2CCCCC2O 34a_100000707694_100000038908 [0,1,1,0,0,0|0,0,2]=4 124 B18R2.32588 Cc1ccc(cc1Cl)N(C)C2CCCCC2O 269982a_100000220120_100000038908 [0,1,1,0,0,0|0,0,2]=4 125 B18R2.32588 Cc1ccc(cc1Cl)N(C)C2CCCCC2O 34a_100000220120_100000038908 [0,1,1,0,0,0|0,0,2]=4 126 B18R2.32588 Cc1ccc(cc1F)N(C)C2CCCCC2O 269982a_100160572069_100000038908 [0,1,1,0,0,0|0,0,2]=4 127 B18R2.32588 Cc1ccc(cc1F)N(C)C2CCCCC2O 34a_100160572069_100000038908 [0,1,1,0,0,0|0,0,2]=4 128 B18R2.67020 Cc1ccc(c(c1)Br)N(C)C2CCCCC2O 269982a_100000221369_100000038908 [0,1,1,0,0,0|0,0,2]=4 129 B18R2.67020 Cc1ccc(c(c1)Br)N(C)C2CCCCC2O 34a_100000221369_100000038908 [0,1,1,0,0,0|0,0,2]=4 130 B18R2.3889 Cc1ccc(c(c1)C2=CC(=O)CCC2)N(C)C 271570a_100000723966_100012353700 [0,1,1,0,0,0|0,0,2]=4 131 B18R2.508866 Cc1ccc2c(c1)c(nn2C)SCCC(C)O 62a_100012276601_100000123007 [0,1,1,0,0,0|2,0,0]=4 132 B18R2.1439637 CCCOCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_100000210303 [0,1,1,0,0,0|2,0,0]=4 133 B18R2.1439637 COc1ccc2c(c1)c(cn2C)COCCF 34a_100000077082_100011217306 [0,1,1,0,0,0|2,0,0]=4 134 B18R2.1439637 COc1ccc2c(c1)c(cn2C)COCCO 34a_100000077082_100000211926 [0,1,1,0,0,0|1,0,0]=3 135 B18R2.1439637 COc1ccc2c(c1)c(nn2C)SCCCO 62a_100011215043_100010988832 [0,1,1,0,0,0|2,0,0]=4 136 B18R2.1667559 Cc1ccc2c(c1)c(nn2C)SC(C)CCO 62a_100009893172_100000123007 [0,1,1,0,0,0|2,0,0]=4 137 B18R2.1765273 Cc1ccc2c(c1)c(nn2C)SCC(O)CO 62a_100011219619_100000123007 [0,1,1,0,0,0|2,0,0]=4 138 B18R2.1765273 Cc1ccc2c(c1)c(nn2C)SC[C@@H](C)CO 62a_100000059175_100000123007 [0,1,1,0,0,0|2,0,0]=4 139 B18R2.1765273 Cc1ccc2c(c1)c(nn2C)SC[C@@H](O)CO 62a_100009815848_100000123007 [0,1,1,0,0,0|2,0,0]=4 140 B18R2.1854270 CCCCCSc1nn(c2c1cc(cc2)C)C 62a_100000210326_100000123007 [0,1,1,0,0,0|2,0,0]=4 141 B18R2.1854270 COCCCSc1nn(c2c1cc(cc2)C)C 62a_100000709357_100000123007 [0,1,1,0,0,0|2,0,0]=4 142 B18R2.1854270 Cc1ccc2c(c1)c(nn2C)SCCCCF 62a_100000729493_100000123007 [0,1,1,0,0,0|2,0,0]=4 143 B18R2.1854270 Cc1ccc2c(c1)c(nn2C)SCCCCO 62a_100000210776_100000123007 [0,1,1,0,0,0|1,0,0]=3 144 B18R2.1854270 Cn1nc(c2c1ccc(c2)Br)SCCCCO 62a_100000210776_100010161270 [0,1,1,0,0,0|2,0,0]=4 145 B18R2.1854270 Cn1nc(c2c1ccc(c2)Br)SCCCCO 62a_100010161270_100000210776 [0,1,1,0,0,0|2,0,0]=4 146 B18R2.1854270 Cn1nc(c2c1ccc(c2)F)SCCCCO 62a_100000210776_200000123018 [0,1,1,0,0,0|2,0,0]=4 147 B18R2.1854270 Cn1nc(c2c1ccc(c2)F)SCCCCO 62a_200000123018_100000210776 [0,1,1,0,0,0|2,0,0]=4 148 B18R2.1854270 Cn1nc(c2c1ccc(c2)N)SCCCCO 62a_100000210776_100010234897 [0,1,1,0,0,0|2,0,0]=4 149 B18R2.1854270 Cn1nc(c2c1ccc(c2)N)SCCCCO 62a_100010234897_100000210776 [0,1,1,0,0,0|2,0,0]=4 150 B18R2.2426412 Cc1ccc2c(c1)C(=NNCCO)C(=O)N2C 4a_100000210001_100000216197 [0,1,1,0,0,0|2,0,0]=4 151 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)Br 269862a_106832991636_100000697556 [1,1,0,0,0,0|2,0,0]=4 152 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)C 269862a_106832991636_100000187250 [1,1,0,0,0,0|1,0,0]=3 153 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)Cl 269862a_106832991636_100000721903 [1,1,0,0,0,0|2,0,0]=4 154 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)F 269862a_106832991636_100000721809 [1,1,0,0,0,0|2,0,0]=4 155 B18R3.1397905 CSc1ccc2[nH]c3c(c2c1)CCCC3=O 62a_200000210301_100000697556 [1,1,0,0,0,0|0,0,2]=4 156 B18R3.1397905 [13CH3]Sc1ccc2[nH]c3c(c2c1)CCCC3=O 62a_200025704644_100000697556 [1,1,0,0,0,0|0,0,2]=4 157 B20R3.3984453 CCNC1CCCc2c1n(c3c2cc(cc3)Br)C 269862a_100015525214_100009812800 [0,2,0,0,0,0|2,0,0]=4 158 B20R3.4429956 C=C(C)c1ccc2c(c1)c3c(n2C)C(=O)CCC3 271570a_100000694244_100009812800 [0,2,0,0,0,0|0,0,2]=4 159 B20R3.16510840 CC=Cc1ccc2c(c1)c3c(n2C)C(=O)CCC3 271570a_100016259895_100009812800 [0,2,0,0,0,0|0,0,2]=4 160 B20R3.16510840 CCSc1ccc2c(c1)c3c(n2C)C(=O)CCC3 62a_100000210202_100009812800 [0,2,0,0,0,0|0,0,2]=4 161 B20R3.16510840 CCSc1ccc2c(c1)c3c(n2C)C(=O)CCC3 62a_100009812800_100000210202 [0,2,0,0,0,0|0,0,2]=4 162 B20R3.16510840 Cn1c2c(c3c1ccc(c3)SCF)CCCC2=O 62a_100009812800_100015361967 [0,2,0,0,0,0|0,0,2]=4 163 B20R3.16510840 Cn1c2c(c3c1ccc(c3)SCF)CCCC2=O 62a_100015361967_100009812800 [0,2,0,0,0,0|0,0,2]=4 164 B16R1.91 Cc1ccc(cc1)N(C)CCCCCCO 2230a_100000219977_100000766143 [0,0,2,0,0,0|0,0,2]=4 165 B16R1.91 Cc1ccc(cc1)N(C)CCCCCCO 269982a_100000219977_100000766143 [0,0,2,0,0,0|0,0,2]=4 166 B16R1.91 Cc1ccc(cc1)N(C)CCCCCCO 34a_100000219977_100000766143 [0,0,2,0,0,0|0,0,2]=4 167 B16R1.685 CCCC(C)C(=O)N(C)c1ccc(cc1)C 11a_100000219977_100000210906 [0,0,2,0,0,0|2,0,0]=4 168 B16R1.685 CCCC(C)C(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100000210906 [0,0,2,0,0,0|2,0,0]=4 169 B16R1.685 CCCC(C)C(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000210906 [0,0,2,0,0,0|2,0,0]=4 170 B16R1.685 CCC[C@H](O)C(=O)C(C)c1ccc(cc1)C 1458a_100009822183_100011261388 [0,0,2,0,0,0|2,0,0]=4 171 B16R1.685 CCC[C@H](O)C(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100009822183 [0,0,2,0,0,0|2,0,0]=4 172 B16R1.685 CCC[C@H](O)C(=O)N(C)c1ccc(cc1)C 22a_100000219977_100009822183 [0,0,2,0,0,0|1,0,0]=3 173 B16R1.685 CCC[C@H](O)C(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100009822183 [0,0,2,0,0,0|2,0,0]=4 174 B16R1.685 CCC[C@H](O)C(=O)N(C)c1ccc(cc1)F 22a_100000219829_100009822183 [0,0,2,0,0,0|2,0,0]=4 175 B16R1.685 CCC[C@H](O)C(=O)N(C)c1ccc(cc1)I 22a_100000743151_100009822183 [0,0,2,0,0,0|2,0,0]=4 176 B16R1.685 CCC[C@H](O)C(=O)N(C)c1ccc(cc1)O 22a_100000182112_100009822183 [0,0,2,0,0,0|2,0,0]=4 177 B16R1.1697 COc1ccc(cc1C(=O)CCCCO)C 1458a_100000204667_100000210776 [0,0,2,0,0,0|2,0,0]=4 178 B16R1.4318 CNc1ccc(cc1SCCCC(C)O)C 62a_100000221369_200000718107 [0,0,2,0,0,0|1,0,1]=4 179 B16R1.4318 CNc1ccc(cc1SCCCC(C)O)C 62a_200000718107_100000221369 [0,0,2,0,0,0|1,0,1]=4 180 B16R1.241 Cc1ccc(c(c1)SCCCCO)N(C)C 62a_100000210776_100012353700 [0,0,2,0,0,0|1,0,1]=4 181 B16R1.241 Cc1ccc(c(c1)SCCCCO)N(C)C 62a_100012353700_100000210776 [0,0,2,0,0,0|1,0,1]=4 182 B18R3.906450 Cc1ccc2c(c1)c(nn2C)SCC3CO3 62a_102125554688_100000123007 [0,0,1,1,0,0|2,0,0]=4 183 B18R3.906450 Cc1ccc2c(c1)c(nn2C)SC[C@@H]3CO3 62a_100000745022_100000123007 [0,0,1,1,0,0|2,0,0]=4 184 B16R2.1084 CN(c1ccc(cc1)Br)[C@@H]2CCC[C@H]2O 269982a_100000219623_200016002552 [0,0,1,0,1,0|1,0,1]=4 185 B16R2.1084 CN(c1ccc(cc1)Cl)[C@@H]2CCC[C@H]2O 269982a_100020629279_200016002552 [0,0,1,0,1,0|1,0,1]=4 186 B16R2.1084 CN(c1ccc(cc1)F)[C@@H]2CCC[C@H]2O 269982a_100000219829_200016002552 [0,0,1,0,1,0|1,0,1]=4 187 B16R2.1084 CN(c1ccc(cc1)I)[C@@H]2CCC[C@H]2O 269982a_100000743151_200016002552 [0,0,1,0,1,0|1,0,1]=4 188 B16R2.1084 CN(c1ccc(cc1)O)[C@@H]2CCC[C@H]2O 269982a_100000182112_200016002552 [0,0,1,0,1,0|1,0,1]=4 189 B16R2.1084 Cc1ccc(cc1)N(C)C2CCCC2C 2230a_200000711169_200000210301 [0,0,1,0,1,0|1,0,1]=4 190 B16R2.1084 Cc1ccc(cc1)N(C)C2CCCC2C 269982a_200000711169_200000210301 [0,0,1,0,1,0|1,0,1]=4 191 B16R2.1084 Cc1ccc(cc1)N(C)C2CCCC2C 34a_200000711169_200000210301 [0,0,1,0,1,0|1,0,1]=4 192 B16R2.1084 Cc1ccc(cc1)N(C)C2CCCC2C 7a_200000711169_200000210301 [0,0,1,0,1,0|1,0,1]=4 193 B16R2.1084 Cc1ccc(cc1)N(C)C2COCC2O 34a_100000219977_200000725654 [0,0,1,0,1,0|1,0,1]=4 194 B16R2.1084 Cc1ccc(cc1)N(C)[C@@H]2CCC[C@H]2O 269982a_100000219977_200016002552 [0,0,1,0,1,0|0,0,1]=3 195 B16R2.1084 Cc1ccc(cc1)N([13CH3])C2CCCC2C 2230a_200000711169_200025704644 [0,0,1,0,1,0|1,0,1]=4 196 B16R2.1084 Cc1ccc(cc1)N([13CH3])C2CCCC2C 269982a_200000711169_200025704644 [0,0,1,0,1,0|1,0,1]=4 197 B16R2.1084 Cc1ccc(cc1)N([13CH3])C2CCCC2C 34a_200000711169_200025704644 [0,0,1,0,1,0|1,0,1]=4 198 B16R2.1084 Cc1ccc(cc1)N([13CH3])C2CCCC2C 7a_200000711169_200025704644 [0,0,1,0,1,0|1,0,1]=4 199 B16R2.6466 CNc1ccc(cc1C2=CC(=O)CC2)C 271570a_100010737933_100000221369 [0,0,1,0,1,0|0,0,2]=4 200 B18R2.9218 Cc1ccc(cc1)CN(C)C2CCCCC2O 269982a_100000744650_100000038908 [0,0,1,0,0,1|0,0,2]=4 201 B18R2.9218 Cc1ccc(cc1)CN(C)C2CCCCC2O 34a_100000744650_100000038908 [0,0,1,0,0,1|0,0,2]=4 202 B18R2.9218 Cc1ccc(cc1)CN(C)[C@@H]2CCCC[C@H]2O 269982a_100000708425_100000210814 [0,0,1,0,0,1|0,0,2]=4 203 B18R2.9218 Cc1ccc(cc1)CN(C)[C@@H]2CCCC[C@H]2O 26a_100000708425_200020625495 [0,0,1,0,0,1|0,0,2]=4 204 B18R2.9218 Cc1ccc(cc1)CN(C)[C@@H]2CCCC[C@H]2O 270004a_100000708425_100000211033 [0,0,1,0,0,1|0,0,2]=4 205 B18R2.124750 CCCN(C)Cc1cc2cc(ccc2n1C)C 270004a_100000747261_200000070775 [0,0,1,0,0,1|2,0,0]=4 206 B18R2.2553735 Cc1ccc2nc(cc(c2c1)NCCCO)C 27a_100000182051_100011333704 [0,0,1,0,0,1|2,0,0]=4 207 B18R2.2553735 Cc1ccc2nc(cc(c2c1)SCCCO)C 62a_100011215043_100011333704 [0,0,1,0,0,1|2,0,0]=4