0 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [1,0,0,0,0,0|1,0,0]=2 1 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [1,0,0,0,0,0|1,0,0]=2 2 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [1,0,0,0,0,0|1,0,0]=2 3 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [1,0,0,0,0,0|0,0,0]=1 4 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [1,0,0,0,0,0|0,0,0]=1 5 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [1,0,0,0,0,0|0,0,0]=1 6 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [1,0,0,0,0,0|1,0,0]=2 7 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [1,0,0,0,0,0|1,0,0]=2 8 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [1,0,0,0,0,0|1,0,0]=2 9 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [1,0,0,0,0,0|0,0,0]=1 10 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [1,0,0,0,0,0|0,0,0]=1 11 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [1,0,0,0,0,0|0,0,0]=1 12 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.60 C#CCN(C)C(C)C[n+]1ccccc1 270004a_100000225692_100000034229 [0,0,1,0,0,0|2,0,1]=4 19 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 2230a_100000705463_200000210301 [0,0,1,0,0,0|1,0,1]=3 20 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 269982a_100000705463_200000210301 [0,0,1,0,0,0|1,0,1]=3 21 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000225692_200011218536 [0,0,1,0,0,0|1,0,1]=3 22 B14R1.60 C#CCN(C)C(C)Cc1ccccc1 34a_100000705463_200000210301 [0,0,1,0,0,0|1,0,1]=3 23 B14R1.60 C#CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000038162 [0,0,1,0,0,0|2,0,1]=4 24 B14R1.60 C#CCN(C)C(C)Cc1cccnc1 270004a_100000225692_100015187140 [0,0,1,0,0,0|2,0,1]=4 25 B14R1.60 C#CCN(C)C(C)Cc1ccncc1 270004a_100000225692_100000238508 [0,0,1,0,0,0|2,0,1]=4 26 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 2230a_100000705463_200025704644 [0,0,1,0,0,0|1,0,1]=3 27 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 269982a_100000705463_200025704644 [0,0,1,0,0,0|1,0,1]=3 28 B14R1.60 C#CCN([13CH3])C(C)Cc1ccccc1 34a_100000705463_200025704644 [0,0,1,0,0,0|1,0,1]=3 29 B14R1.60 C=CCN(C)C(C)C[n+]1ccccc1 270004a_100000225617_100000034229 [0,0,1,0,0,0|2,0,1]=4 30 B14R1.60 C=CCN(C)C(C)Cc1ccccc1 269982a_100000225617_200011218536 [0,0,1,0,0,0|1,0,1]=3 31 B14R1.60 C=CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210623 [0,0,1,0,0,0|2,0,1]=4 32 B14R1.60 C=CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210623 [0,0,1,0,0,0|2,0,1]=4 33 B14R1.60 C=CCN(C)C(C)Cc1cccnc1 270004a_100000225617_100015187140 [0,0,1,0,0,0|2,0,1]=4 34 B14R1.60 C=CCN(C)C(C)Cc1ccncc1 270004a_100000225617_100000238508 [0,0,1,0,0,0|2,0,1]=4 35 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000186898_100009893172 [0,0,1,0,0,0|2,0,0]=3 36 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000731037_100015291786 [0,0,1,0,0,0|2,0,0]=3 37 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000186898_100009893172 [0,0,1,0,0,0|2,0,0]=3 38 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000731037_100000211182 [0,0,1,0,0,0|2,0,0]=3 39 B14R1.60 CC(CCO)N(C)Cc1ccccc1 270004a_100000731037_100015611070 [0,0,1,0,0,0|2,0,0]=3 40 B14R1.60 CC(CCO)N(C)Cc1ccccn1 2230a_100000207498_100009893172 [0,0,1,0,0,0|3,0,0]=4 41 B14R1.60 CC(CCO)N(C)Cc1ccccn1 2230a_100000731037_100000721315 [0,0,1,0,0,0|3,0,0]=4 42 B14R1.60 CC(CCO)N(C)Cc1ccccn1 269982a_100000207498_100009893172 [0,0,1,0,0,0|3,0,0]=4 43 B14R1.60 CC(CCO)N(C)Cc1ccccn1 269982a_100000731037_100000721315 [0,0,1,0,0,0|3,0,0]=4 44 B14R1.60 CC(CCO)N(C)Cc1ccccn1 270004a_100000731037_100000209966 [0,0,1,0,0,0|3,0,0]=4 45 B14R1.60 CC(CCO)N(C)Cc1cccnc1 2230a_100000184577_100009893172 [0,0,1,0,0,0|3,0,0]=4 46 B14R1.60 CC(CCO)N(C)Cc1cccnc1 2230a_100000731037_100000741622 [0,0,1,0,0,0|3,0,0]=4 47 B14R1.60 CC(CCO)N(C)Cc1cccnc1 269982a_100000184577_100009893172 [0,0,1,0,0,0|3,0,0]=4 48 B14R1.60 CC(CCO)N(C)Cc1cccnc1 269982a_100000731037_100000733263 [0,0,1,0,0,0|3,0,0]=4 49 B14R1.60 CC(CCO)N(C)Cc1cccnc1 270004a_100000731037_100000209961 [0,0,1,0,0,0|3,0,0]=4 50 B14R1.60 CC(CCO)N(C)Cc1ccncc1 2230a_100000187231_100009893172 [0,0,1,0,0,0|3,0,0]=4 51 B14R1.60 CC(CCO)N(C)Cc1ccncc1 2230a_100000731037_100015193705 [0,0,1,0,0,0|3,0,0]=4 52 B14R1.60 CC(CCO)N(C)Cc1ccncc1 269982a_100000187231_100009893172 [0,0,1,0,0,0|3,0,0]=4 53 B14R1.60 CC(CCO)N(C)Cc1ccncc1 269982a_100000731037_100015193705 [0,0,1,0,0,0|3,0,0]=4 54 B14R1.60 CC(C[n+]1ccccc1)N(C)CCO 270004a_100000210263_100000034229 [0,0,1,0,0,0|1,0,0]=2 55 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [0,0,1,0,0,0|3,0,0]=4 56 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,0,1,0,0,0|2,0,0]=3 57 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,0,1,0,0,0|2,0,0]=3 58 B14R1.60 CC(Cc1ccccc1)N(C)CCO 269982a_100000210263_200011218536 [0,0,1,0,0,0|0,0,0]=1 59 B14R1.60 CC(Cc1ccccn1)C(=O)CCO 1458a_100012000792_100000211926 [0,0,1,0,0,0|3,0,0]=4 60 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 2230a_200011351704_100011215382 [0,0,1,0,0,0|2,0,1]=4 61 B14R1.60 CC(Cc1ccccn1)N(C)CC#N 269982a_200011351704_100011214920 [0,0,1,0,0,0|2,0,1]=4 62 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 2230a_200011351704_200015260668 [0,0,1,0,0,0|1,0,2]=4 63 B14R1.60 CC(Cc1ccccn1)N(C)CC=O 269982a_200011351704_200015260668 [0,0,1,0,0,0|1,0,2]=4 64 B14R1.60 CC(Cc1ccccn1)N(C)CCF 2230a_200011351704_100011217306 [0,0,1,0,0,0|2,0,0]=3 65 B14R1.60 CC(Cc1ccccn1)N(C)CCF 269982a_200011351704_100011217306 [0,0,1,0,0,0|2,0,0]=3 66 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2230a_200011351704_100000211926 [0,0,1,0,0,0|1,0,0]=2 67 B14R1.60 CC(Cc1ccccn1)N(C)CCO 269982a_200011351704_100000211926 [0,0,1,0,0,0|1,0,0]=2 68 B14R1.60 CC(Cc1cccnc1)N(C)CCO 270004a_100000210263_100015187140 [0,0,1,0,0,0|1,0,0]=2 69 B14R1.60 CC(Cc1ccncc1)N(C)CCO 270004a_100000210263_100000238508 [0,0,1,0,0,0|1,0,0]=2 70 B14R1.60 CC(Cc1cnccn1)N(C)CCO 270004a_100000210263_100015184882 [0,0,1,0,0,0|2,0,0]=3 71 B14R1.60 CC(Oc1ccccc1)C(=O)CCO 1458a_100000188414_100000211926 [0,0,1,0,0,0|3,0,0]=4 72 B14R1.60 CC(Sc1ccccc1)C(=O)CCO 1458a_100000199063_100000211926 [0,0,1,0,0,0|3,0,0]=4 73 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,0,1,0,0,0|3,0,0]=4 74 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,0,1,0,0,0|3,0,0]=4 75 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000766640 [0,0,1,0,0,0|3,0,0]=4 76 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_200015183821_200000210301 [0,0,1,0,0,0|3,0,0]=4 77 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000766640 [0,0,1,0,0,0|3,0,0]=4 78 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_200015183821_200000210301 [0,0,1,0,0,0|3,0,0]=4 79 B14R1.60 CCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000211909 [0,0,1,0,0,0|3,0,0]=4 80 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 2230a_200015183821_200025704644 [0,0,1,0,0,0|3,0,0]=4 81 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 269982a_200015183821_200025704644 [0,0,1,0,0,0|3,0,0]=4 82 B14R1.60 CCCN(C)C(C)C[n+]1ccccc1 270004a_100000747261_100000034229 [0,0,1,0,0,0|2,0,0]=3 83 B14R1.60 CCCN(C)C(C)Cc1ccccc1 269982a_100000747261_200011218536 [0,0,1,0,0,0|1,0,0]=2 84 B14R1.60 CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210303 [0,0,1,0,0,0|2,0,0]=3 85 B14R1.60 CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210303 [0,0,1,0,0,0|2,0,0]=3 86 B14R1.60 CCCN(C)C(C)Cc1cccnc1 270004a_100000747261_100015187140 [0,0,1,0,0,0|2,0,0]=3 87 B14R1.60 CCCN(C)C(C)Cc1ccncc1 270004a_100000747261_100000238508 [0,0,1,0,0,0|2,0,0]=3 88 B14R1.60 CCCN(C)C(C)Cc1cnccn1 270004a_100000747261_100015184882 [0,0,1,0,0,0|3,0,0]=4 89 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [0,0,1,0,0,0|3,0,0]=4 90 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [0,0,1,0,0,0|3,0,0]=4 91 B14R1.60 CN(CCO)C(=O)C[n+]1ccccc1 240690a_100000210263_200000086051 [0,0,1,0,0,0|2,0,1]=4 92 B14R1.60 CN(CCO)C(=O)C[n+]1ccccc1 527a_100000210263_200000086051 [0,0,1,0,0,0|2,0,1]=4 93 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 240690a_100000210263_100000737805 [0,0,1,0,0,0|2,0,1]=4 94 B14R1.60 CN(CCO)C(=O)Cc1cccnc1 527a_100000210263_100000737805 [0,0,1,0,0,0|2,0,1]=4 95 B14R1.60 CN(CCO)C(=O)Cc1ccncc1 240690a_100000210263_100011201483 [0,0,1,0,0,0|2,0,1]=4 96 B14R1.60 CN(CCO)C(=O)Nc1ccccc1 2430a_100000106764_100000210263 [0,0,1,0,0,0|2,0,1]=4 97 B14R1.60 CN(Cc1ccccc1)C(=O)CCO 240690a_100000186898_100011216618 [0,0,1,0,0,0|3,0,0]=4 98 B14R1.60 COCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000766300 [0,0,1,0,0,0|3,0,0]=4 99 B14R1.60 COCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000766300 [0,0,1,0,0,0|3,0,0]=4 100 B14R1.60 CSCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011218213 [0,0,1,0,0,0|3,0,0]=4 101 B14R1.60 CSCN(C)C(C)Cc1ccccn1 269982a_200011351704_100011218213 [0,0,1,0,0,0|3,0,0]=4 102 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [0,0,1,0,0,0|3,0,0]=4 103 B14R1.85 CCC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000758301 [0,0,1,0,0,0|2,0,1]=4 104 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000758301 [0,0,1,0,0,0|3,0,0]=4 105 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 2230a_100000741768_100000230085 [0,0,1,0,0,0|3,0,0]=4 106 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000758301 [0,0,1,0,0,0|3,0,0]=4 107 B14R1.85 CCC(C)N(C)C(C)c1ccccc1 269982a_100000741768_100000230085 [0,0,1,0,0,0|3,0,0]=4 108 B14R1.85 CCN(C)C(=O)C(F)c1ccccc1 11a_100000225621_100000698975 [0,0,1,0,0,0|2,0,1]=4 109 B14R1.85 CCN(C)C(=O)C(F)c1ccccc1 1626a_100000225621_100000698975 [0,0,1,0,0,0|2,0,1]=4 110 B14R1.85 CCN(C)C(=O)C(F)c1ccccc1 240690a_100000225621_100000698975 [0,0,1,0,0,0|2,0,1]=4 111 B14R1.85 CCN(C)C(=O)C(F)c1ccccc1 527a_100000225621_100000698975 [0,0,1,0,0,0|2,0,1]=4 112 B14R1.85 CCN(C)C(=O)[C@@H](C)c1ccccc1 11a_100000225621_100000751047 [0,0,1,0,0,0|2,0,1]=4 113 B14R1.85 CCN(C)C(=O)[C@@H](C)c1ccccc1 1626a_100000225621_100000751047 [0,0,1,0,0,0|2,0,1]=4 114 B14R1.85 CCN(C)C(=O)[C@@H](C)c1ccccc1 240690a_100000225621_100000751047 [0,0,1,0,0,0|2,0,1]=4 115 B14R1.85 CCN(C)C(=O)[C@@H](C)c1ccccc1 527a_100000225621_100000751047 [0,0,1,0,0,0|2,0,1]=4 116 B14R1.85 CCN(C)C(=O)[C@H](O)c1ccccc1 240690a_100000225621_100000684486 [0,0,1,0,0,0|1,0,1]=3 117 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 2230a_100000225621_100000239700 [0,0,1,0,0,0|0,0,2]=3 118 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 269982a_100000225621_100000239700 [0,0,1,0,0,0|0,0,2]=3 119 B14R1.121 C#CC(OCCCC)c1ccccc1 34a_100011219616_100000210210 [0,0,1,0,0,0|1,0,2]=4 120 B14R1.121 C#CC(OCCCC)c1ccccc1 7a_100011219616_100000210211 [0,0,1,0,0,0|1,0,2]=4 121 B14R1.121 C#CC(OCCOC)c1ccccc1 34a_100011219616_100011201679 [0,0,1,0,0,0|1,0,2]=4 122 B14R1.121 C#CC(OCCOC)c1ccccc1 7a_100011219616_100000233755 [0,0,1,0,0,0|1,0,2]=4 123 B14R1.121 C#CC(OCCSC)c1ccccc1 34a_100011219616_100000212216 [0,0,1,0,0,0|1,0,2]=4 124 B14R1.121 C#CC(OCCSC)c1ccccc1 7a_100011219616_100000212216 [0,0,1,0,0,0|1,0,2]=4 125 B14R1.121 C#CCCNC(CC)c1ccccc1 2230a_100000737752_100000688953 [0,0,1,0,0,0|2,0,1]=4 126 B14R1.121 C#CCCOC(CBr)c1ccccc1 7a_100000185958_100000688953 [0,0,1,0,0,0|2,0,1]=4 127 B14R1.121 C#CCCOC(CC)c1ccccc1 34a_100000698172_100000688953 [0,0,1,0,0,0|1,0,1]=3 128 B14R1.121 C#CCCOC(CC)c1ccccc1 7a_100000698172_100000688953 [0,0,1,0,0,0|1,0,1]=3 129 B14R1.121 C#CCCOC(CN)c1ccccc1 34a_100000210709_100000688953 [0,0,1,0,0,0|2,0,1]=4 130 B14R1.121 C#CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000688953 [0,0,1,0,0,0|2,0,1]=4 131 B14R1.121 C#CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000688953 [0,0,1,0,0,0|2,0,1]=4 132 B14R1.121 C/C=C/COC(CBr)c1ccccc1 7a_100000185958_100102629194 [0,0,1,0,0,0|2,0,1]=4 133 B14R1.121 C/C=C/COC(CC)c1ccccc1 34a_100000698172_100102629194 [0,0,1,0,0,0|1,0,1]=3 134 B14R1.121 C/C=C/COC(CC)c1ccccc1 7a_100000698172_100102629194 [0,0,1,0,0,0|1,0,1]=3 135 B14R1.121 C/C=C/COC(CN)c1ccccc1 34a_100000210709_100102629194 [0,0,1,0,0,0|2,0,1]=4 136 B14R1.121 C/C=C/CO[C@H](CCl)c1ccccc1 34a_100011933945_100102629194 [0,0,1,0,0,0|2,0,1]=4 137 B14R1.121 C/C=C/CO[C@H](CCl)c1ccccc1 7a_100011933945_100102629194 [0,0,1,0,0,0|2,0,1]=4 138 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [0,0,1,0,0,0|1,0,2]=4 139 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [0,0,1,0,0,0|1,0,2]=4 140 B14R1.121 C=CC(OCCOC)c1ccccc1 34a_100011215659_100011201679 [0,0,1,0,0,0|1,0,2]=4 141 B14R1.121 C=CC(OCCOC)c1ccccc1 7a_100011215659_100000233755 [0,0,1,0,0,0|1,0,2]=4 142 B14R1.121 C=CC(OCCSC)c1ccccc1 34a_100011215659_100000212216 [0,0,1,0,0,0|1,0,2]=4 143 B14R1.121 C=CC(OCCSC)c1ccccc1 7a_100011215659_100000212216 [0,0,1,0,0,0|1,0,2]=4 144 B14R1.121 C=CCCNC(CC)c1ccccc1 2230a_100000737752_100000754431 [0,0,1,0,0,0|2,0,1]=4 145 B14R1.121 C=CCCNC(CC)c1ccccc1 269862a_100015191253_100000210124 [0,0,1,0,0,0|2,0,1]=4 146 B14R1.121 C=CCCOC(CBr)c1ccccc1 7a_100000185958_100000754431 [0,0,1,0,0,0|2,0,1]=4 147 B14R1.121 C=CCCOC(CC)c1ccccc1 34a_100000698172_100000754431 [0,0,1,0,0,0|1,0,1]=3 148 B14R1.121 C=CCCOC(CC)c1ccccc1 7a_100000698172_100000754431 [0,0,1,0,0,0|1,0,1]=3 149 B14R1.121 C=CCCOC(CN)c1ccccc1 34a_100000210709_100000754431 [0,0,1,0,0,0|2,0,1]=4 150 B14R1.121 C=CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000754431 [0,0,1,0,0,0|2,0,1]=4 151 B14R1.121 C=CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000754431 [0,0,1,0,0,0|2,0,1]=4 152 B14R1.121 CC#CCNC(CC)c1ccccc1 2230a_100000737752_100000748600 [0,0,1,0,0,0|2,0,1]=4 153 B14R1.121 CC#CCOC(CBr)c1ccccc1 7a_100000185958_100000748600 [0,0,1,0,0,0|2,0,1]=4 154 B14R1.121 CC#CCOC(CC)c1ccccc1 34a_100000698172_100000748600 [0,0,1,0,0,0|1,0,1]=3 155 B14R1.121 CC#CCOC(CC)c1ccccc1 7a_100000698172_100000748600 [0,0,1,0,0,0|1,0,1]=3 156 B14R1.121 CC#CCOC(CN)c1ccccc1 34a_100000210709_100000748600 [0,0,1,0,0,0|2,0,1]=4 157 B14R1.121 CC#CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000748600 [0,0,1,0,0,0|2,0,1]=4 158 B14R1.121 CC#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000748600 [0,0,1,0,0,0|2,0,1]=4 159 B14R1.121 CC=CCNC(CC)c1ccccc1 2230a_100000737752_100000070051 [0,0,1,0,0,0|2,0,1]=4 160 B14R1.121 CC=CCOC(CBr)c1ccccc1 7a_100000185958_100000070051 [0,0,1,0,0,0|2,0,1]=4 161 B14R1.121 CC=CCOC(CC)c1ccccc1 34a_100000698172_100000070051 [0,0,1,0,0,0|1,0,1]=3 162 B14R1.121 CC=CCOC(CC)c1ccccc1 7a_100000698172_100000070051 [0,0,1,0,0,0|1,0,1]=3 163 B14R1.121 CC=CCOC(CN)c1ccccc1 34a_100000210709_100000070051 [0,0,1,0,0,0|2,0,1]=4 164 B14R1.121 CC=CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000070051 [0,0,1,0,0,0|2,0,1]=4 165 B14R1.121 CC=CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000070051 [0,0,1,0,0,0|2,0,1]=4 166 B14R1.121 CCC(COCSC)c1ccccc1 34a_100000752371_100011218213 [0,0,1,0,0,0|3,0,0]=4 167 B14R1.121 CCC(NCCC#N)c1ccccc1 2230a_100000737752_100011215226 [0,0,1,0,0,0|3,0,0]=4 168 B14R1.121 CCC(NCCCF)c1ccccc1 2230a_100000737752_100011934791 [0,0,1,0,0,0|3,0,0]=4 169 B14R1.121 CCC(NCCCF)c1ccccc1 269862a_100015189416_100000210124 [0,0,1,0,0,0|3,0,0]=4 170 B14R1.121 CCC(NCCCO)c1ccccc1 2230a_100000737752_100000230001 [0,0,1,0,0,0|3,0,0]=4 171 B14R1.121 CCC(NCCCO)c1ccccc1 269862a_100000182051_100000210124 [0,0,1,0,0,0|3,0,0]=4 172 B14R1.121 CCC(NCCOC)c1ccccc1 2230a_100000737752_100011201679 [0,0,1,0,0,0|2,0,0]=3 173 B14R1.121 CCC(NCCOC)c1ccccc1 269862a_100000209980_100000210124 [0,0,1,0,0,0|2,0,0]=3 174 B14R1.121 CCC(NCCOC)c1ccccn1 2230a_100015186561_100011201679 [0,0,1,0,0,0|3,0,0]=4 175 B14R1.121 CCC(NCCOC)c1ccccn1 269862a_100000209980_100000748178 [0,0,1,0,0,0|3,0,0]=4 176 B14R1.121 CCC(NCCOC)c1cccnc1 2230a_100000246009_100011201679 [0,0,1,0,0,0|3,0,0]=4 177 B14R1.121 CCC(NCCOC)c1cccnc1 269862a_100000209980_100011218761 [0,0,1,0,0,0|3,0,0]=4 178 B14R1.121 CCC(NCCOC)c1ccncc1 269862a_100000209980_100011216016 [0,0,1,0,0,0|3,0,0]=4 179 B14R1.121 CCC(NCCSC)c1ccccc1 2230a_100000737752_100000751147 [0,0,1,0,0,0|2,0,0]=3 180 B14R1.121 CCC(NCCSC)c1ccccc1 269862a_100020590264_100000210124 [0,0,1,0,0,0|2,0,0]=3 181 B14R1.121 CCC(NCCSC)c1ccccn1 2230a_100015186561_100000751147 [0,0,1,0,0,0|3,0,0]=4 182 B14R1.121 CCC(NCCSC)c1ccccn1 269862a_100020590264_100000748178 [0,0,1,0,0,0|3,0,0]=4 183 B14R1.121 CCC(NCCSC)c1cccnc1 2230a_100000246009_100000751147 [0,0,1,0,0,0|3,0,0]=4 184 B14R1.121 CCC(NCCSC)c1cccnc1 269862a_100020590264_100011218761 [0,0,1,0,0,0|3,0,0]=4 185 B14R1.121 CCC(NCCSC)c1ccncc1 269862a_100020590264_100011216016 [0,0,1,0,0,0|3,0,0]=4 186 B14R1.121 CCC(OCCC#N)c1ccccc1 7a_100000698172_100000184422 [0,0,1,0,0,0|2,0,0]=3 187 B14R1.121 CCC(OCCCF)c1ccccc1 34a_100000698172_100011934791 [0,0,1,0,0,0|2,0,0]=3 188 B14R1.121 CCC(OCCCF)c1ccccc1 7a_100000698172_100011934791 [0,0,1,0,0,0|2,0,0]=3 189 B14R1.121 CCC(OCCCO)c1ccccc1 34a_100000698172_100000230001 [0,0,1,0,0,0|2,0,0]=3 190 B14R1.121 CCC(OCCCO)c1ccccc1 7a_100000698172_100011215043 [0,0,1,0,0,0|2,0,0]=3 191 B14R1.121 CCC(OCCOC)c1ccccc1 34a_100000698172_100011201679 [0,0,1,0,0,0|1,0,0]=2 192 B14R1.121 CCC(OCCOC)c1ccccc1 7a_100000698172_100000233755 [0,0,1,0,0,0|1,0,0]=2 193 B14R1.121 CCC(OCCSC)c1ccccc1 34a_100000698172_100000212216 [0,0,1,0,0,0|1,0,0]=2 194 B14R1.121 CCC(OCCSC)c1ccccc1 7a_100000698172_100000212216 [0,0,1,0,0,0|1,0,0]=2 195 B14R1.121 CCCCCC(NC)c1ccccc1 269862a_106832991636_100000211787 [0,0,1,0,0,0|3,0,0]=4 196 B14R1.121 CCCCCC(OC)c1ccccc1 34a_100000748122_200000210301 [0,0,1,0,0,0|3,0,0]=4 197 B14R1.121 CCCCCC(OC)c1ccccc1 7a_100000748122_200000210301 [0,0,1,0,0,0|3,0,0]=4 198 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 34a_100000748122_200025704644 [0,0,1,0,0,0|3,0,0]=4 199 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 7a_100000748122_200025704644 [0,0,1,0,0,0|3,0,0]=4 200 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_100000210013_100000210326 [0,0,1,0,0,0|3,0,0]=4 201 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_200000219563_100000210202 [0,0,1,0,0,0|3,0,0]=4 202 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_100000210013_100000210215 [0,0,1,0,0,0|3,0,0]=4 203 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_200000219563_100000204670 [0,0,1,0,0,0|3,0,0]=4 204 B14R1.121 CCCCCN(CC)c1ccccc1 34a_100000210013_100000718602 [0,0,1,0,0,0|3,0,0]=4 205 B14R1.121 CCCCCN(CC)c1ccccc1 34a_200000219563_100000210202 [0,0,1,0,0,0|3,0,0]=4 206 B14R1.121 CCCCCN(CC)c1ccccc1 7a_200000219563_100000210202 [0,0,1,0,0,0|3,0,0]=4 207 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,0,1,0,0,0|2,0,0]=3 208 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,0,1,0,0,0|2,0,0]=3 209 B14R1.121 CCCCNC(CC)c1ccccn1 2230a_100015186561_100000210211 [0,0,1,0,0,0|3,0,0]=4 210 B14R1.121 CCCCNC(CC)c1ccccn1 269862a_100000102301_100000748178 [0,0,1,0,0,0|3,0,0]=4 211 B14R1.121 CCCCNC(CC)c1cccnc1 2230a_100000246009_100000210211 [0,0,1,0,0,0|3,0,0]=4 212 B14R1.121 CCCCNC(CC)c1cccnc1 269862a_100000102301_100011218761 [0,0,1,0,0,0|3,0,0]=4 213 B14R1.121 CCCCNC(CC)c1ccncc1 269862a_100000102301_100011216016 [0,0,1,0,0,0|3,0,0]=4 214 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,0,1,0,0,0|3,0,0]=4 215 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,0,1,0,0,0|3,0,0]=4 216 B14R1.121 CCCCOC(C#N)c1ccccc1 7a_100011217353_100000210211 [0,0,1,0,0,0|2,0,1]=4 217 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,0,1,0,0,0|2,0,0]=3 218 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,0,1,0,0,0|1,0,0]=2 219 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,0,1,0,0,0|1,0,0]=2 220 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,0,1,0,0,0|2,0,0]=3 221 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,0,1,0,0,0|2,0,0]=3 222 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,0,1,0,0,0|2,0,0]=3 223 B14R1.121 CCCNCC(CC)c1ccccc1 270004a_100020643023_100000753018 [0,0,1,0,0,0|3,0,0]=4 224 B14R1.121 CCCOCC(CC)c1ccccc1 34a_100000752371_100000210303 [0,0,1,0,0,0|3,0,0]=4 225 B14R1.121 CCCOCC(CC)c1ccccc1 7a_100000752371_100000210303 [0,0,1,0,0,0|3,0,0]=4 226 B14R1.121 CCN(CCCOC)c1ccccc1 2230a_100000210013_100000740836 [0,0,1,0,0,0|3,0,0]=4 227 B14R1.121 CCN(CCCOC)c1ccccc1 269982a_100000210013_100000740836 [0,0,1,0,0,0|3,0,0]=4 228 B14R1.121 CCN(CCCOC)c1ccccc1 34a_100000210013_100000740836 [0,0,1,0,0,0|3,0,0]=4 229 B14R1.121 CNCCCC(NC)c1cccnc1 269862a_106832991636_100020654510 [0,0,1,0,0,0|3,0,0]=4 230 B14R1.121 COCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011201679 [0,0,1,0,0,0|3,0,0]=4 231 B14R1.121 COCCN[C@H](CO)c1ccccc1 34a_100000751927_100011201679 [0,0,1,0,0,0|3,0,0]=4 232 B14R1.121 COCCOC(C#N)c1ccccc1 7a_100011217353_100000233755 [0,0,1,0,0,0|2,0,1]=4 233 B14R1.121 COCCOC(CBr)c1ccccc1 7a_100000185958_100000233755 [0,0,1,0,0,0|2,0,0]=3 234 B14R1.121 COCCOC(CN)c1ccccc1 34a_100000210709_100011201679 [0,0,1,0,0,0|2,0,0]=3 235 B14R1.121 COCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011201679 [0,0,1,0,0,0|2,0,0]=3 236 B14R1.121 COCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000233755 [0,0,1,0,0,0|2,0,0]=3 237 B14R1.121 CSCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000751147 [0,0,1,0,0,0|3,0,0]=4 238 B14R1.121 CSCCN[C@H](CO)c1ccccc1 34a_100000751927_100000212216 [0,0,1,0,0,0|3,0,0]=4 239 B14R1.121 CSCCOC(C#N)c1ccccc1 7a_100011217353_100000212216 [0,0,1,0,0,0|2,0,1]=4 240 B14R1.121 CSCCOC(CBr)c1ccccc1 7a_100000185958_100000212216 [0,0,1,0,0,0|2,0,0]=3 241 B14R1.121 CSCCOC(CN)c1ccccc1 34a_100000210709_100000212216 [0,0,1,0,0,0|2,0,0]=3 242 B14R1.121 CSCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000212216 [0,0,1,0,0,0|2,0,0]=3 243 B14R1.121 CSCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000212216 [0,0,1,0,0,0|2,0,0]=3 244 B14R1.121 FCCCOC(CBr)c1ccccc1 7a_100000185958_100011934791 [0,0,1,0,0,0|3,0,0]=4 245 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011934791 [0,0,1,0,0,0|3,0,0]=4 246 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011934791 [0,0,1,0,0,0|3,0,0]=4 247 B14R1.121 N#CCCOC(CBr)c1ccccc1 7a_100000185958_100000184422 [0,0,1,0,0,0|3,0,0]=4 248 B14R1.121 N#CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000184422 [0,0,1,0,0,0|3,0,0]=4 249 B14R1.121 NCC(OCCCF)c1ccccc1 34a_100000210709_100011934791 [0,0,1,0,0,0|3,0,0]=4 250 B14R1.121 NCC(OCCCO)c1ccccc1 34a_100000210709_100000230001 [0,0,1,0,0,0|3,0,0]=4 251 B14R1.121 OCCCOC(CBr)c1ccccc1 7a_100000185958_100011215043 [0,0,1,0,0,0|3,0,0]=4 252 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000230001 [0,0,1,0,0,0|3,0,0]=4 253 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215043 [0,0,1,0,0,0|3,0,0]=4 254 B14R1.521 CCC(C)C(COC)c1ccccc1 34a_200011273946_200000210301 [0,0,1,0,0,0|3,0,0]=4 255 B14R1.521 CCC(C)C(COC)c1ccccc1 7a_200011273946_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B14R1.521 CCC(C)C(CO[13CH3])c1ccccc1 34a_200011273946_200025704644 [0,0,1,0,0,0|3,0,0]=4 257 B14R1.521 CCC(C)C(CO[13CH3])c1ccccc1 7a_200011273946_200025704644 [0,0,1,0,0,0|3,0,0]=4 258 B14R1.521 CCCN(c1ccccc1)C(C)CC 2230a_200011218496_100000758301 [0,0,1,0,0,0|3,0,0]=4 259 B14R1.521 CCCN(c1ccccc1)C(C)CC 269982a_200011218496_100000758301 [0,0,1,0,0,0|3,0,0]=4 260 B14R1.521 CCCN(c1ccccc1)C(C)CC 34a_200011218496_100011215416 [0,0,1,0,0,0|3,0,0]=4 261 B14R1.521 CCCN(c1ccccc1)C(C)OC 269982a_200011218496_100009879195 [0,0,1,0,0,0|3,0,0]=4 262 B14R1.521 CCNC(C(=O)NC)c1ccccc1 2230a_100000741928_100000210202 [0,0,1,0,0,0|2,0,1]=4 263 B14R1.521 CCNC(C(=O)NC)c1ccccc1 34a_100000741928_100000210202 [0,0,1,0,0,0|2,0,1]=4 264 B14R1.521 CCNC(c1ccccc1)C(C)CC 2230a_100025702663_100000210202 [0,0,1,0,0,0|2,0,0]=3 265 B14R1.521 CCOC(C(=O)NC)c1ccccc1 34a_100012026080_100000210202 [0,0,1,0,0,0|1,0,1]=3 266 B14R1.521 CCOC(C(=O)NN)c1ccccc1 34a_100011203043_100000210202 [0,0,1,0,0,0|2,0,1]=4 267 B14R1.521 CCOC(C(=O)OC)c1ccccc1 34a_100121572206_100000185205 [0,0,1,0,0,0|2,0,1]=4 268 B14R1.521 CCO[C@@H](C(=O)OC)c1ccccc1 34a_100009815907_100000210202 [0,0,1,0,0,0|2,0,1]=4 269 B14R1.521 CNC(=O)C(OCF)c1ccccc1 34a_100012026080_100015361967 [0,0,1,0,0,0|2,0,1]=4 270 B14R1.716 CC(CF)OCOCc1ccccc1 34a_100016041109_100000763385 [0,0,1,0,0,0|3,0,0]=4 271 B14R1.716 CC(CN)OCOCc1ccccc1 34a_100000210904_100000763385 [0,0,1,0,0,0|3,0,0]=4 272 B14R1.716 CC(CO)CCNCc1ccccc1 207a_106354213184_100015611070 [0,0,1,0,0,0|3,0,0]=4 273 B14R1.716 CC(CO)CCNCc1ccccc1 2230a_106354213184_100015291786 [0,0,1,0,0,0|3,0,0]=4 274 B14R1.716 CC(CO)CCNCc1ccccc1 270004a_106354213184_100015611070 [0,0,1,0,0,0|3,0,0]=4 275 B14R1.716 CC(CO)CCNCc1ccccc1 34a_106354213184_100015291786 [0,0,1,0,0,0|3,0,0]=4 276 B14R1.716 CC(CO)SCOCc1ccccc1 62a_100012180447_100000763385 [0,0,1,0,0,0|3,0,0]=4 277 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,0,1,0,0,0|3,0,0]=4 278 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,0,1,0,0,0|3,0,0]=4 279 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,0,1,0,0,0|2,0,0]=3 280 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,0,1,0,0,0|2,0,0]=3 281 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [0,0,1,0,0,0|2,1,0]=4 282 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [0,0,1,0,0,0|2,1,0]=4 283 B14R1.716 CCC(C)CCNCc1ccccc1 207a_100020591266_100015611070 [0,0,1,0,0,0|2,0,0]=3 284 B14R1.716 CCC(C)CCNCc1ccccc1 2230a_100020591266_100015291786 [0,0,1,0,0,0|2,0,0]=3 285 B14R1.716 CCC(C)CCNCc1ccccc1 270004a_100020591266_100015611070 [0,0,1,0,0,0|2,0,0]=3 286 B14R1.716 CCC(C)CCNCc1ccccn1 207a_100020591266_100000209966 [0,0,1,0,0,0|3,0,0]=4 287 B14R1.716 CCC(C)CCNCc1ccccn1 2230a_100020591266_100000721315 [0,0,1,0,0,0|3,0,0]=4 288 B14R1.716 CCC(C)CCNCc1ccccn1 270004a_100020591266_100000209966 [0,0,1,0,0,0|3,0,0]=4 289 B14R1.716 CCC(C)CCNCc1cccnc1 207a_100020591266_100000209961 [0,0,1,0,0,0|3,0,0]=4 290 B14R1.716 CCC(C)CCNCc1cccnc1 2230a_100020591266_100000741622 [0,0,1,0,0,0|3,0,0]=4 291 B14R1.716 CCC(C)CCNCc1cccnc1 270004a_100020591266_100000209961 [0,0,1,0,0,0|3,0,0]=4 292 B14R1.716 CCC(C)CCNCc1ccncc1 207a_100020591266_100000186114 [0,0,1,0,0,0|3,0,0]=4 293 B14R1.716 CCC(C)CCNCc1ccncc1 2230a_100020591266_100015193705 [0,0,1,0,0,0|3,0,0]=4 294 B14R1.716 CCC(C)CCOCc1ccccc1 7a_100011215188_100000211182 [0,0,1,0,0,0|1,0,0]=2 295 B14R1.716 CCC(C)CCOCc1ccccn1 7a_100011215188_100000721315 [0,0,1,0,0,0|2,0,0]=3 296 B14R1.716 CCC(C)CCOCc1cccnc1 7a_100011215188_100000741622 [0,0,1,0,0,0|2,0,0]=3 297 B14R1.716 CCC(C)CCOCc1cccnn1 7a_100011215188_100016990269 [0,0,1,0,0,0|3,0,0]=4 298 B14R1.716 CCC(C)CCOCc1ccncc1 7a_100011215188_100015193705 [0,0,1,0,0,0|2,0,0]=3 299 B14R1.716 CCC(C)CCOCc1cnccn1 7a_100011215188_100016995436 [0,0,1,0,0,0|3,0,0]=4 300 B14R1.716 CCC(C)CCOCc1cncnc1 7a_100011215188_100015196519 [0,0,1,0,0,0|3,0,0]=4 301 B14R1.716 CCC(C)CCOCc1ncccn1 7a_100011215188_100000703007 [0,0,1,0,0,0|3,0,0]=4 302 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100000106460_100000748023 [0,0,1,0,0,0|3,0,0]=4 303 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100020588543_100000765856 [0,0,1,0,0,0|3,0,0]=4 304 B14R1.716 CCC(C)CNCCc1ccccc1 270004a_100000106460_100000243153 [0,0,1,0,0,0|3,0,0]=4 305 B14R1.716 CCC(C)CNCCc1ccccc1 34a_100000106460_100000748023 [0,0,1,0,0,0|3,0,0]=4 306 B14R1.716 CCC(C)COCCc1ccccc1 34a_100000210268_100000748023 [0,0,1,0,0,0|3,0,0]=4 307 B14R1.716 CCC(C)COCCc1ccccc1 7a_100000210268_100000748023 [0,0,1,0,0,0|3,0,0]=4 308 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000748023_100011218657 [0,0,1,0,0,0|3,0,0]=4 309 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000765856_100000748023 [0,0,1,0,0,0|3,0,0]=4 310 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000209981_100000211621 [0,0,1,0,0,0|3,0,0]=4 311 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000211184_100000758301 [0,0,1,0,0,0|3,0,0]=4 312 B14R1.716 CCC(C)NCCCc1ccccc1 34a_100000211184_100011215416 [0,0,1,0,0,0|3,0,0]=4 313 B14R1.716 CCC(C)NCOCc1ccccc1 2230a_100000209981_100000763385 [0,0,1,0,0,0|2,0,0]=3 314 B14R1.716 CCC(C)NCSCc1ccccc1 2230a_100000209981_200011217039 [0,0,1,0,0,0|2,1,0]=4 315 B14R1.716 CCC(C)OCCCc1ccccc1 34a_100000210828_100011215416 [0,0,1,0,0,0|3,0,0]=4 316 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210228_100000211621 [0,0,1,0,0,0|3,0,0]=4 317 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210828_100000758301 [0,0,1,0,0,0|3,0,0]=4 318 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000211621_100000758301 [0,0,1,0,0,0|3,0,0]=4 319 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000758301_100000211621 [0,0,1,0,0,0|3,0,0]=4 320 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000758301_100000763385 [0,0,1,0,0,0|2,0,0]=3 321 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000763385_100000758301 [0,0,1,0,0,0|2,0,0]=3 322 B14R1.716 CCC(C)SCSCc1ccccc1 62a_100000758301_200011217039 [0,0,1,0,0,0|2,1,0]=4 323 B14R1.716 CCC(C)SCSCc1ccccc1 62a_200011217039_100000758301 [0,0,1,0,0,0|2,1,0]=4 324 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000225621_100000701786 [0,0,1,0,0,0|1,0,0]=2 325 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000741445_100000210202 [0,0,1,0,0,0|1,0,0]=2 326 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000225621_100000701786 [0,0,1,0,0,0|1,0,0]=2 327 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000741445_100000204670 [0,0,1,0,0,0|1,0,0]=2 328 B14R1.716 CCN(C)CCCCc1ccccc1 34a_100000741445_100000210202 [0,0,1,0,0,0|1,0,0]=2 329 B14R1.716 CCN(C)CCCCc1ccncc1 2230a_100000225621_100020630000 [0,0,1,0,0,0|2,0,0]=3 330 B14R1.716 CCN(C)CCCCc1ccncc1 269982a_100000225621_100020630000 [0,0,1,0,0,0|2,0,0]=3 331 B14R1.716 CCN(C)CCCOc1ccccc1 2230a_100000225621_100000199009 [0,0,1,0,0,0|2,0,0]=3 332 B14R1.716 CCN(C)CCCOc1ccccc1 2230a_100000225623_100000210202 [0,0,1,0,0,0|2,0,0]=3 333 B14R1.716 CCN(C)CCCOc1ccccc1 269982a_100000225621_100000199009 [0,0,1,0,0,0|2,0,0]=3 334 B14R1.716 CCN(C)CCCOc1ccccc1 269982a_100000225623_100000204670 [0,0,1,0,0,0|2,0,0]=3 335 B14R1.716 CCN(C)CCCOc1ccccc1 7a_100000210340_100015186262 [0,0,1,0,0,0|2,0,0]=3 336 B14R1.716 CCN(C)CCCOc1cccnc1 7a_100000210849_100015186262 [0,0,1,0,0,0|3,0,0]=4 337 B14R1.716 CCN(C)CCCSc1ccccc1 2230a_100000225621_200011203293 [0,0,1,0,0,0|2,0,0]=3 338 B14R1.716 CCN(C)CCCSc1ccccc1 2230a_100015183843_100000210202 [0,0,1,0,0,0|2,0,0]=3 339 B14R1.716 CCN(C)CCCSc1ccccc1 269982a_100000225621_200011203293 [0,0,1,0,0,0|2,0,0]=3 340 B14R1.716 CCN(C)CCCSc1ccccc1 269982a_100015183843_100000204670 [0,0,1,0,0,0|2,0,0]=3 341 B14R1.716 CCN(C)CCCSc1ccccc1 62a_100000719477_100015186262 [0,0,1,0,0,0|2,0,0]=3 342 B14R1.716 CCN(C)CCCSc1ccccn1 62a_100011216584_100015186262 [0,0,1,0,0,0|3,0,0]=4 343 B14R1.716 CCN(C)CCCSc1cccnc1 62a_100000210063_100015186262 [0,0,1,0,0,0|3,0,0]=4 344 B14R1.716 CCN(C)CCCSc1ccncc1 62a_100000728582_100015186262 [0,0,1,0,0,0|3,0,0]=4 345 B14R1.716 CCN(C)CCOCc1ccccc1 2230a_100000225621_100000234347 [0,0,1,0,0,0|0,0,0]=1 346 B14R1.716 CCN(C)CCOCc1ccccc1 2230a_100000687121_100000210202 [0,0,1,0,0,0|0,0,0]=1 347 B14R1.716 CCN(C)CCOCc1ccccc1 269982a_100000225621_100000234347 [0,0,1,0,0,0|0,0,0]=1 348 B14R1.716 CCN(C)CCOCc1ccccc1 269982a_100000687121_100000204670 [0,0,1,0,0,0|0,0,0]=1 349 B14R1.716 CCN(C)CCSCc1ccccc1 2230a_100000225621_200011297719 [0,0,1,0,0,0|0,1,0]=2 350 B14R1.716 CCN(C)CCSCc1ccccc1 269982a_100000225621_200011297719 [0,0,1,0,0,0|0,1,0]=2 351 B14R1.716 CC[C@H](C)CNCCc1ccccc1 2230a_100000106460_100009816398 [0,0,1,0,0,0|3,0,0]=4 352 B14R1.716 CC[C@H](C)CNCCc1ccccc1 34a_100000106460_100009816398 [0,0,1,0,0,0|3,0,0]=4 353 B14R1.716 CC[C@H](C)COCCc1ccccc1 34a_100000210268_100009816398 [0,0,1,0,0,0|3,0,0]=4 354 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100000210268_100009816398 [0,0,1,0,0,0|3,0,0]=4 355 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100009816381_100000765856 [0,0,1,0,0,0|3,0,0]=4 356 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100000765856_100009816398 [0,0,1,0,0,0|3,0,0]=4 357 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100009816398_100011218657 [0,0,1,0,0,0|3,0,0]=4 358 B14R1.716 CN(CF)CCCCc1ccccc1 269982a_100000741445_100015361967 [0,0,1,0,0,0|2,0,0]=3 359 B14R1.716 CN(CF)CCCCc1ccccc1 34a_100000741445_100015361967 [0,0,1,0,0,0|2,0,0]=3 360 B14R1.716 CN(CF)CCCOc1ccccc1 269982a_100000225623_100015361967 [0,0,1,0,0,0|3,0,0]=4 361 B14R1.716 CN(CF)CCCSc1ccccc1 269982a_100015183843_100015361967 [0,0,1,0,0,0|3,0,0]=4 362 B14R1.716 CN(CF)CCOCc1ccccc1 269982a_100000687121_100015361967 [0,0,1,0,0,0|1,0,0]=2 363 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [0,0,1,0,0,0|3,0,0]=4 364 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [0,0,1,0,0,0|3,0,0]=4 365 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [0,0,1,0,0,0|3,0,0]=4 366 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [0,0,1,0,0,0|3,0,0]=4 367 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [0,0,1,0,0,0|3,0,0]=4 368 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [0,0,1,0,0,0|3,0,0]=4 369 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [0,0,1,0,0,0|3,0,0]=4 370 B14R1.716 CNC(C)CCCCc1ccccc1 270004a_106832991635_200011485782 [0,0,1,0,0,0|3,0,0]=4 371 B14R1.716 CNC(C)CCOCc1ccccc1 270004a_106832991635_100011219826 [0,0,1,0,0,0|2,0,0]=3 372 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,1,0,0,0|3,0,0]=4 373 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,1,0,0,0|3,0,0]=4 374 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [0,0,1,0,0,0|2,0,0]=3 375 B14R1.716 COC(C)CCOCc1ccccn1 7a_100000764861_100000721315 [0,0,1,0,0,0|3,0,0]=4 376 B14R1.716 COC(C)CCOCc1cccnc1 7a_100000764861_100000741622 [0,0,1,0,0,0|3,0,0]=4 377 B14R1.716 COC(C)CCOCc1ccncc1 7a_100000764861_100015193705 [0,0,1,0,0,0|3,0,0]=4 378 B14R1.716 COC(C)SCOCc1ccccc1 62a_100000763385_100009879195 [0,0,1,0,0,0|3,0,0]=4 379 B14R1.716 COC(C)SCOCc1ccccc1 62a_100009879195_100000763385 [0,0,1,0,0,0|3,0,0]=4 380 B14R1.716 C[C@H](CO)NCOCc1ccccc1 2230a_100000737577_100000763385 [0,0,1,0,0,0|3,0,0]=4 381 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100000763385_100016084084 [0,0,1,0,0,0|3,0,0]=4 382 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100016084084_100000763385 [0,0,1,0,0,0|3,0,0]=4 383 B14R1.716 O=C(CF)CCOCc1ccccc1 1458a_100000743319_100015361967 [0,0,1,0,0,0|3,0,0]=4 384 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [0,0,1,0,0,0|3,0,0]=4 385 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 11a_100102631434_100000211302 [0,0,1,0,0,0|2,0,1]=4 386 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000211302 [0,0,1,0,0,0|2,0,1]=4 387 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000211302 [0,0,1,0,0,0|2,0,1]=4 388 B14R1.1027 CCC(C(=O)N(C)C)c1ccccc1 527a_100102631434_100000211302 [0,0,1,0,0,0|2,0,1]=4 389 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 2230a_100000737544_100000210206 [0,0,1,0,0,0|3,0,0]=4 390 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 269982a_100000712692_200000210301 [0,0,1,0,0,0|3,0,0]=4 391 B14R1.1027 CCC(c1ccccc1)N(C)C(C)C 269982a_100000737544_100000210206 [0,0,1,0,0,0|3,0,0]=4 392 B14R1.1027 CCC(c1ccccc1)N([13CH3])C(C)C 269982a_100000712692_200025704644 [0,0,1,0,0,0|3,0,0]=4 393 B14R1.1027 CN(C)C(=O)C(N[13CH3])c1ccccc1 2230a_100000742453_200025704644 [0,0,1,0,0,0|2,0,1]=4 394 B14R1.1027 CN(C)C(=O)C(N[13CH3])c1ccccc1 34a_100000742453_200025704644 [0,0,1,0,0,0|2,0,1]=4 395 B14R1.1027 CN(C)C(=O)C(O[13CH3])c1ccccc1 34a_200012109783_200025704644 [0,0,1,0,0,0|1,0,1]=3 396 B14R1.1027 CN(C)C(=O)C(S[13CH3])c1ccccc1 62a_100000204569_200025704644 [0,0,1,0,0,0|1,1,1]=4 397 B14R1.1027 CN(C)C(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000204569 [0,0,1,0,0,0|1,1,1]=4 398 B14R1.1027 CNC(C(=O)N(C)C)c1ccccc1 2230a_100000742453_200000210301 [0,0,1,0,0,0|2,0,1]=4 399 B14R1.1027 CNC(C(=O)N(C)C)c1ccccc1 2230a_106832991635_100000204569 [0,0,1,0,0,0|2,0,1]=4 400 B14R1.1027 CNC(C(=O)N(C)C)c1ccccc1 34a_100000742453_200000210301 [0,0,1,0,0,0|2,0,1]=4 401 B14R1.1027 CNC(C(=O)N(C)C)c1ccccc1 7a_106832991635_100000204569 [0,0,1,0,0,0|2,0,1]=4 402 B14R1.1027 COC(C(=O)N(C)C)c1ccccc1 34a_200012109783_200000210301 [0,0,1,0,0,0|1,0,1]=3 403 B14R1.1027 CO[C@@H](C(=O)C(C)C)c1ccccc1 1458a_100000698336_100000210206 [0,0,1,0,0,0|2,0,1]=4 404 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000698336 [0,0,1,0,0,0|1,0,1]=3 405 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000698336 [0,0,1,0,0,0|1,0,1]=3 406 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000698336 [0,0,1,0,0,0|1,0,1]=3 407 B14R1.1027 CO[C@@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000698336 [0,0,1,0,0,0|1,0,1]=3 408 B14R1.1027 CSC(C(=O)N(C)C)c1ccccc1 62a_100000204569_200000210301 [0,0,1,0,0,0|1,1,1]=4 409 B14R1.1027 CSC(C(=O)N(C)C)c1ccccc1 62a_200000210301_100000204569 [0,0,1,0,0,0|1,1,1]=4 410 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [1,0,1,0,0,0|1,0,1]=4 411 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [1,0,1,0,0,0|1,0,1]=4 412 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [1,0,1,0,0,0|1,0,1]=4 413 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [1,0,1,0,0,0|1,0,1]=4 414 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [1,0,1,0,0,0|1,0,1]=4 415 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [1,0,1,0,0,0|1,0,1]=4 416 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [1,0,1,0,0,0|1,0,1]=4 417 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [1,0,1,0,0,0|2,0,0]=4 418 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [1,0,1,0,0,0|2,0,0]=4 419 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [1,0,1,0,0,0|2,0,0]=4 420 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [1,0,1,0,0,0|2,0,0]=4 421 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [1,0,1,0,0,0|2,0,0]=4 422 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [1,0,1,0,0,0|2,0,0]=4 423 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [1,0,1,0,0,0|1,0,0]=3 424 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [1,0,1,0,0,0|1,0,0]=3 425 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [1,0,1,0,0,0|1,0,0]=3 426 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [1,0,1,0,0,0|1,0,0]=3 427 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [1,0,1,0,0,0|2,0,0]=4 428 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [1,0,1,0,0,0|2,0,0]=4 429 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [1,0,1,0,0,0|2,0,0]=4 430 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [1,0,1,0,0,0|2,0,0]=4 431 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [1,0,1,0,0,0|2,0,0]=4 432 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [1,0,1,0,0,0|2,0,0]=4 433 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [1,0,1,0,0,0|2,0,0]=4 434 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [1,0,1,0,0,0|2,0,0]=4 435 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [1,0,1,0,0,0|2,0,0]=4 436 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [1,0,1,0,0,0|2,0,0]=4 437 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000742850_100000210303 [1,0,1,0,0,0|2,0,0]=4 438 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000747261_100000723409 [1,0,1,0,0,0|2,0,0]=4 439 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000742850_100000210303 [1,0,1,0,0,0|2,0,0]=4 440 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000747261_100000723409 [1,0,1,0,0,0|2,0,0]=4 441 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [1,0,1,0,0,0|2,0,0]=4 442 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [1,0,1,0,0,0|2,0,0]=4 443 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [1,0,1,0,0,0|2,0,0]=4 444 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [1,0,1,0,0,0|2,0,0]=4 445 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [1,0,1,0,0,0|1,0,1]=4 446 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [1,0,1,0,0,0|1,0,1]=4 447 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [1,0,1,0,0,0|1,0,1]=4 448 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [1,0,1,0,0,0|0,0,2]=4 449 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [1,0,1,0,0,0|0,0,2]=4 450 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [1,0,1,0,0,0|1,0,0]=3 451 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [1,0,1,0,0,0|1,0,0]=3 452 B13R1.42 CN(CCF)CCc1ccccn1 2230a_100000737206_100011217306 [1,0,1,0,0,0|2,0,0]=4 453 B13R1.42 CN(CCF)CCc1ccccn1 269982a_100000737206_100011217306 [1,0,1,0,0,0|2,0,0]=4 454 B13R1.42 CN(CCF)CCc1cccnc1 2230a_100000763209_100011217306 [1,0,1,0,0,0|2,0,0]=4 455 B13R1.42 CN(CCF)CCc1cccnc1 269982a_100000763209_100011217306 [1,0,1,0,0,0|2,0,0]=4 456 B13R1.42 CN(CCF)CCc1ccncc1 2230a_100000742850_100011217306 [1,0,1,0,0,0|2,0,0]=4 457 B13R1.42 CN(CCF)CCc1ccncc1 269982a_100000742850_100011217306 [1,0,1,0,0,0|2,0,0]=4 458 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [1,0,1,0,0,0|0,0,0]=2 459 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [1,0,1,0,0,0|0,0,0]=2 460 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [1,0,1,0,0,0|0,0,0]=2 461 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [1,0,1,0,0,0|0,0,0]=2 462 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000210263_100015183660 [1,0,1,0,0,0|1,0,0]=3 463 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000737206_100000211926 [1,0,1,0,0,0|1,0,0]=3 464 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000210263_100015183660 [1,0,1,0,0,0|1,0,0]=3 465 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000737206_100000211926 [1,0,1,0,0,0|1,0,0]=3 466 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000210263_200011713674 [1,0,1,0,0,0|1,0,0]=3 467 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000763209_100000211926 [1,0,1,0,0,0|1,0,0]=3 468 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000210263_200011713674 [1,0,1,0,0,0|1,0,0]=3 469 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000763209_100000211926 [1,0,1,0,0,0|1,0,0]=3 470 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000210263_100000723409 [1,0,1,0,0,0|1,0,0]=3 471 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000742850_100000211926 [1,0,1,0,0,0|1,0,0]=3 472 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000210263_100000723409 [1,0,1,0,0,0|1,0,0]=3 473 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000742850_100000211926 [1,0,1,0,0,0|1,0,0]=3 474 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [1,0,1,0,0,0|1,0,0]=3 475 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [1,0,1,0,0,0|1,0,0]=3 476 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [1,0,1,0,0,0|2,0,0]=4 477 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [1,0,1,0,0,0|2,0,0]=4 478 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [1,0,1,0,0,0|2,0,0]=4 479 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [1,0,1,0,0,0|2,0,0]=4 480 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [1,0,1,0,0,0|2,0,0]=4 481 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [1,0,1,0,0,0|2,0,0]=4 482 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [1,0,1,0,0,0|2,0,0]=4 483 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [1,0,1,0,0,0|2,0,0]=4 484 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [1,0,1,0,0,0|2,0,0]=4 485 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [1,0,1,0,0,0|2,0,0]=4 486 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [1,0,1,0,0,0|1,0,1]=4 487 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [1,0,1,0,0,0|1,0,0]=3 488 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [1,0,1,0,0,0|1,0,0]=3 489 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [1,0,1,0,0,0|0,0,0]=2 490 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [1,0,1,0,0,0|2,0,0]=4 491 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [1,0,1,0,0,0|2,0,0]=4 492 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [1,0,1,0,0,0|2,0,0]=4 493 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [1,0,1,0,0,0|2,0,0]=4 494 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [1,0,1,0,0,0|1,0,0]=3 495 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [1,0,1,0,0,0|1,0,0]=3 496 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [1,0,1,0,0,0|2,0,0]=4 497 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [1,0,1,0,0,0|2,0,0]=4 498 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [1,0,1,0,0,0|1,0,0]=3 499 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [1,0,1,0,0,0|1,0,0]=3 500 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [1,0,1,0,0,0|2,0,0]=4 501 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [1,0,1,0,0,0|1,0,0]=3 502 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [1,0,1,0,0,0|2,0,0]=4 503 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [1,0,1,0,0,0|1,0,0]=3 504 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [1,0,1,0,0,0|1,0,0]=3 505 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [1,0,1,0,0,0|1,0,0]=3 506 B13R1.44 CC(Cc1cnccn1)NCCO 2230a_100011277835_100000211926 [1,0,1,0,0,0|2,0,0]=4 507 B13R1.44 CC(Cc1cnccn1)NCCO 270004a_100000210304_100015184882 [1,0,1,0,0,0|2,0,0]=4 508 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [1,0,1,0,0,0|2,0,0]=4 509 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [1,0,1,0,0,0|2,0,0]=4 510 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [1,0,1,0,0,0|2,0,0]=4 511 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [1,0,1,0,0,0|2,0,0]=4 512 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [1,0,1,0,0,0|2,0,0]=4 513 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [1,0,1,0,0,0|2,0,0]=4 514 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [1,0,1,0,0,0|2,0,0]=4 515 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [1,0,1,0,0,0|2,0,0]=4 516 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [1,0,1,0,0,0|2,0,0]=4 517 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [1,0,1,0,0,0|2,0,0]=4 518 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [1,0,1,0,0,0|2,0,0]=4 519 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [1,0,1,0,0,0|2,0,0]=4 520 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [1,0,1,0,0,0|2,0,0]=4 521 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [1,0,1,0,0,0|2,0,0]=4 522 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [1,0,1,0,0,0|2,0,0]=4 523 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [1,0,1,0,0,0|2,0,0]=4 524 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [1,0,1,0,0,0|2,0,0]=4 525 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [1,0,1,0,0,0|2,0,0]=4 526 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [1,0,1,0,0,0|2,0,0]=4 527 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [1,0,1,0,0,0|2,0,0]=4 528 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [1,0,1,0,0,0|2,0,0]=4 529 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [1,0,1,0,0,0|2,0,0]=4 530 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [1,0,1,0,0,0|2,0,0]=4 531 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [1,0,1,0,0,0|2,0,0]=4 532 B13R1.135 CC(Cc1ccccn1)N(C)CF 269982a_200011351704_100015361967 [1,0,1,0,0,0|2,0,0]=4 533 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [1,0,1,0,0,0|2,0,0]=4 534 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [1,0,1,0,0,0|2,0,0]=4 535 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [1,0,1,0,0,0|2,0,0]=4 536 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [1,0,1,0,0,0|2,0,0]=4 537 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [1,0,1,0,0,0|2,0,0]=4 538 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [1,0,1,0,0,0|2,0,0]=4 539 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [1,0,1,0,0,0|2,0,0]=4 540 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [1,0,1,0,0,0|2,0,0]=4 541 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [1,0,1,0,0,0|2,0,0]=4 542 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [1,0,1,0,0,0|2,0,0]=4 543 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [1,0,1,0,0,0|2,0,0]=4 544 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [1,0,1,0,0,0|0,0,0]=2 545 B13R1.135 CCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210202 [1,0,1,0,0,0|1,0,0]=3 546 B13R1.135 CCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000204670 [1,0,1,0,0,0|1,0,0]=3 547 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [1,0,1,0,0,0|2,0,0]=4 548 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [1,0,1,0,0,0|2,0,0]=4 549 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [1,0,1,0,0,0|2,0,0]=4 550 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [1,0,1,0,0,0|2,0,0]=4 551 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [1,0,1,0,0,0|2,0,0]=4 552 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [1,0,1,0,0,0|2,0,0]=4 553 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [1,0,1,0,0,0|2,0,0]=4 554 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [1,0,1,0,0,0|2,0,0]=4 555 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [1,0,1,0,0,0|2,0,0]=4 556 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [1,0,1,0,0,0|2,0,0]=4 557 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [1,0,1,0,0,0|0,0,2]=4 558 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [1,0,1,0,0,0|1,0,0]=3 559 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [1,0,1,0,0,0|1,0,0]=3 560 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [1,0,1,0,0,0|0,0,0]=2 561 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [1,0,1,0,0,0|0,0,0]=2 562 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [1,0,1,0,0,0|0,0,0]=2 563 B13R1.11 CCN(C)CS(=O)c1ccccc1 269982a_100000225621_100000031784 [1,0,1,0,0,0|1,0,1]=4 564 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [1,0,1,0,0,0|0,0,0]=2 565 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [1,0,1,0,0,0|1,0,0]=3 566 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [1,0,1,0,0,0|1,0,1]=4 567 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [1,0,1,0,0,0|0,0,2]=4 568 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [1,0,1,0,0,0|2,0,0]=4 569 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 2230a_100102631434_100000239700 [1,0,1,0,0,0|0,0,2]=4 570 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 269982a_100102631434_100000239700 [1,0,1,0,0,0|0,0,2]=4 571 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [1,0,1,0,0,0|2,0,0]=4 572 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [1,0,1,0,0,0|2,0,0]=4 573 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [1,0,1,0,0,0|2,0,0]=4 574 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [1,0,1,0,0,0|2,0,0]=4 575 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [1,0,1,0,0,0|2,0,0]=4 576 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [1,0,1,0,0,0|1,0,1]=4 577 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [1,0,1,0,0,0|1,0,1]=4 578 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [1,0,1,0,0,0|1,0,1]=4 579 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [1,0,1,0,0,0|1,0,1]=4 580 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [1,0,1,0,0,0|1,0,1]=4 581 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [1,0,1,0,0,0|1,0,1]=4 582 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [1,0,1,0,0,0|1,0,1]=4 583 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [1,0,1,0,0,0|1,0,1]=4 584 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [1,0,1,0,0,0|1,0,1]=4 585 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [1,0,1,0,0,0|1,0,1]=4 586 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [1,0,1,0,0,0|1,0,1]=4 587 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [1,0,1,0,0,0|1,0,1]=4 588 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [1,0,1,0,0,0|1,0,1]=4 589 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [1,0,1,0,0,0|1,0,1]=4 590 B13R1.24 CC#CCOC(C)c1ccccc1 34a_100000761923_100000211855 [1,0,1,0,0,0|1,0,1]=4 591 B13R1.24 CC#CCO[C@H](C)c1ccccc1 34a_100000761318_100000748600 [1,0,1,0,0,0|1,0,1]=4 592 B13R1.24 CC#CCO[C@H](C)c1ccccc1 7a_100000761318_100000748600 [1,0,1,0,0,0|1,0,1]=4 593 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [1,0,1,0,0,0|2,0,0]=4 594 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [1,0,1,0,0,0|2,0,0]=4 595 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [1,0,1,0,0,0|2,0,0]=4 596 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [1,0,1,0,0,0|2,0,0]=4 597 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [1,0,1,0,0,0|2,0,0]=4 598 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [1,0,1,0,0,0|1,0,1]=4 599 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [1,0,1,0,0,0|1,0,1]=4 600 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [1,0,1,0,0,0|2,0,0]=4 601 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [1,0,1,0,0,0|2,0,0]=4 602 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [1,0,1,0,0,0|2,0,0]=4 603 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [1,0,1,0,0,0|2,0,0]=4 604 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [1,0,1,0,0,0|1,0,0]=3 605 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [1,0,1,0,0,0|1,0,0]=3 606 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [1,0,1,0,0,0|1,0,0]=3 607 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [1,0,1,0,0,0|1,0,0]=3 608 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [1,0,1,0,0,0|1,1,0]=4 609 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [1,0,1,0,0,0|1,1,0]=4 610 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [1,0,1,0,0,0|1,0,1]=4 611 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [1,0,1,0,0,0|1,0,1]=4 612 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [1,0,1,0,0,0|2,0,0]=4 613 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [1,0,1,0,0,0|2,0,0]=4 614 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [1,0,1,0,0,0|2,0,0]=4 615 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [1,0,1,0,0,0|1,0,0]=3 616 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [1,0,1,0,0,0|1,0,0]=3 617 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [1,0,1,0,0,0|1,0,0]=3 618 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [1,0,1,0,0,0|1,1,0]=4 619 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [1,0,1,0,0,0|1,1,0]=4 620 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [1,0,1,0,0,0|2,0,0]=4 621 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [1,0,1,0,0,0|2,0,0]=4 622 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [1,0,1,0,0,0|2,0,0]=4 623 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [1,0,1,0,0,0|1,0,0]=3 624 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [1,0,1,0,0,0|1,0,0]=3 625 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [1,0,1,0,0,0|1,0,0]=3 626 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [1,0,1,0,0,0|1,0,0]=3 627 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [1,0,1,0,0,0|1,1,0]=4 628 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [1,0,1,0,0,0|1,1,0]=4 629 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [1,0,1,0,0,0|2,0,0]=4 630 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [1,0,1,0,0,0|2,0,0]=4 631 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [1,0,1,0,0,0|2,0,0]=4 632 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [1,0,1,0,0,0|2,0,0]=4 633 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [1,0,1,0,0,0|2,0,0]=4 634 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [1,0,1,0,0,0|0,0,2]=4 635 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [1,0,1,0,0,0|0,0,2]=4 636 B13R1.26 C#CCOC(CC)c1ccccc1 34a_100000698172_100000184674 [1,0,1,0,0,0|0,0,2]=4 637 B13R1.26 C#CCOC(CC)c1ccccc1 7a_100000698172_100000038162 [1,0,1,0,0,0|0,0,2]=4 638 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [1,0,1,0,0,0|0,0,2]=4 639 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [1,0,1,0,0,0|0,0,2]=4 640 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [1,0,1,0,0,0|0,0,2]=4 641 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [1,0,1,0,0,0|0,0,2]=4 642 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [1,0,1,0,0,0|2,0,0]=4 643 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [1,0,1,0,0,0|2,0,0]=4 644 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [1,0,1,0,0,0|2,0,0]=4 645 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [1,0,1,0,0,0|2,0,0]=4 646 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [1,0,1,0,0,0|2,0,0]=4 647 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [1,0,1,0,0,0|2,0,0]=4 648 B13R1.26 CCC(OCC#N)c1ccccc1 7a_100000698172_100011215382 [1,0,1,0,0,0|0,0,2]=4 649 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [1,0,1,0,0,0|1,0,1]=4 650 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [1,0,1,0,0,0|1,0,1]=4 651 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [1,0,1,0,0,0|1,0,0]=3 652 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [1,0,1,0,0,0|1,0,0]=3 653 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [1,0,1,0,0,0|1,0,0]=3 654 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [1,0,1,0,0,0|1,0,0]=3 655 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [1,0,1,0,0,0|1,0,0]=3 656 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [1,0,1,0,0,0|2,0,0]=4 657 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [1,0,1,0,0,0|2,0,0]=4 658 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [1,0,1,0,0,0|2,0,0]=4 659 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [1,0,1,0,0,0|2,0,0]=4 660 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [1,0,1,0,0,0|2,0,0]=4 661 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [1,0,1,0,0,0|2,0,0]=4 662 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [1,0,1,0,0,0|2,0,0]=4 663 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [1,0,1,0,0,0|2,0,0]=4 664 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [1,0,1,0,0,0|2,0,0]=4 665 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [1,0,1,0,0,0|2,0,0]=4 666 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [1,0,1,0,0,0|2,0,0]=4 667 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [1,0,1,0,0,0|1,0,0]=3 668 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [1,0,1,0,0,0|1,0,0]=3 669 B13R1.26 CCCNC(CC)c1ccccn1 2230a_100015186561_100000210303 [1,0,1,0,0,0|2,0,0]=4 670 B13R1.26 CCCNC(CC)c1ccccn1 269862a_100020643023_100000748178 [1,0,1,0,0,0|2,0,0]=4 671 B13R1.26 CCCNC(CC)c1cccnc1 2230a_100000246009_100000210303 [1,0,1,0,0,0|2,0,0]=4 672 B13R1.26 CCCNC(CC)c1cccnc1 269862a_100020643023_100011218761 [1,0,1,0,0,0|2,0,0]=4 673 B13R1.26 CCCNC(CC)c1ccncc1 269862a_100020643023_100011216016 [1,0,1,0,0,0|2,0,0]=4 674 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [1,0,1,0,0,0|2,0,0]=4 675 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [1,0,1,0,0,0|2,0,0]=4 676 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [1,0,1,0,0,0|1,0,1]=4 677 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [1,0,1,0,0,0|1,0,0]=3 678 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [1,0,1,0,0,0|0,0,0]=2 679 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [1,0,1,0,0,0|0,0,0]=2 680 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [1,0,1,0,0,0|1,0,0]=3 681 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [1,0,1,0,0,0|1,0,0]=3 682 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [1,0,1,0,0,0|1,0,0]=3 683 B13R1.26 CCN(CCOC)c1ccccc1 2230a_100000210013_100011201679 [1,0,1,0,0,0|2,0,0]=4 684 B13R1.26 CCN(CCOC)c1ccccc1 269982a_100000210013_100000233755 [1,0,1,0,0,0|2,0,0]=4 685 B13R1.26 CCN(CCOC)c1ccccc1 34a_100000210013_100011201679 [1,0,1,0,0,0|2,0,0]=4 686 B13R1.26 CCN(CCOC)c1ccccc1 7a_100000184040_200000210301 [1,0,1,0,0,0|2,0,0]=4 687 B13R1.26 CCN(CCO[13CH3])c1ccccc1 7a_100000184040_200025704644 [1,0,1,0,0,0|2,0,0]=4 688 B13R1.26 CCN(CCSC)c1ccccc1 2230a_100000210013_100000751147 [1,0,1,0,0,0|2,0,0]=4 689 B13R1.26 CCN(CCSC)c1ccccc1 269982a_100000210013_100000212216 [1,0,1,0,0,0|2,0,0]=4 690 B13R1.26 CCN(CCSC)c1ccccc1 34a_100000210013_100000212216 [1,0,1,0,0,0|2,0,0]=4 691 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [1,0,1,0,0,0|2,0,0]=4 692 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [1,0,1,0,0,0|2,0,0]=4 693 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [1,0,1,0,0,0|2,0,0]=4 694 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [1,0,1,0,0,0|1,0,0]=3 695 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [1,0,1,0,0,0|2,0,0]=4 696 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [1,0,1,0,0,0|2,0,0]=4 697 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [1,0,1,0,0,0|2,0,0]=4 698 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [1,0,1,0,0,0|2,0,0]=4 699 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [1,0,1,0,0,0|2,0,0]=4 700 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [1,0,1,0,0,0|2,0,0]=4 701 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [1,0,1,0,0,0|2,0,0]=4 702 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [1,0,1,0,0,0|2,0,0]=4 703 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [1,0,1,0,0,0|2,0,0]=4 704 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [1,0,1,0,0,0|2,0,0]=4 705 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [1,0,1,0,0,0|1,0,1]=4 706 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [1,0,1,0,0,0|1,0,1]=4 707 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [1,0,1,0,0,0|2,0,0]=4 708 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [1,0,1,0,0,0|2,0,0]=4 709 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [1,0,1,0,0,0|2,0,0]=4 710 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [1,0,1,0,0,0|1,0,0]=3 711 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [1,0,1,0,0,0|1,0,0]=3 712 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [1,0,1,0,0,0|2,0,0]=4 713 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [1,0,1,0,0,0|2,0,0]=4 714 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [1,0,1,0,0,0|2,0,0]=4 715 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [1,0,1,0,0,0|2,0,0]=4 716 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [1,0,1,0,0,0|2,0,0]=4 717 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [1,0,1,0,0,0|2,0,0]=4 718 B13R1.398 CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210202 [1,0,1,0,0,0|2,0,0]=4 719 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [1,0,1,0,0,0|2,0,0]=4 720 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [1,0,1,0,0,0|2,0,0]=4 721 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [1,0,1,0,0,0|0,0,2]=4 722 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [1,0,1,0,0,0|0,0,2]=4 723 B13R1.405 CC(C)C(OCF)c1ccccc1 34a_200011217822_100015361967 [1,0,1,0,0,0|1,0,0]=3 724 B13R1.405 CC(C)C(OCF)c1ccccc1 7a_200011217822_100015361967 [1,0,1,0,0,0|1,0,0]=3 725 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 2230a_200009885855_200025704644 [1,0,1,0,0,0|2,0,0]=4 726 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 34a_200009885855_200025704644 [1,0,1,0,0,0|2,0,0]=4 727 B13R1.405 CC(C)[C@H](NCF)c1ccccc1 34a_100015186014_100015361967 [1,0,1,0,0,0|2,0,0]=4 728 B13R1.405 CCCN(c1ccccc1)C(C)C 2230a_100000210572_100000210303 [1,0,1,0,0,0|2,0,0]=4 729 B13R1.405 CCCN(c1ccccc1)C(C)C 2230a_200011218496_100000210206 [1,0,1,0,0,0|2,0,0]=4 730 B13R1.405 CCCN(c1ccccc1)C(C)C 269982a_100000210572_100000210303 [1,0,1,0,0,0|2,0,0]=4 731 B13R1.405 CCCN(c1ccccc1)C(C)C 269982a_200011218496_100000210206 [1,0,1,0,0,0|2,0,0]=4 732 B13R1.405 CCCN(c1ccccc1)C(C)C 34a_100000210572_100000210303 [1,0,1,0,0,0|2,0,0]=4 733 B13R1.405 CCCN(c1ccccc1)C(C)C 34a_200011218496_100000210206 [1,0,1,0,0,0|2,0,0]=4 734 B13R1.405 CCCN(c1ccccc1)C(C)C 7a_100000210572_100000210303 [1,0,1,0,0,0|2,0,0]=4 735 B13R1.405 CCNC(c1ccccn1)C(C)C 2230a_100015183375_100000210202 [1,0,1,0,0,0|2,0,0]=4 736 B13R1.405 CCNC(c1ccccn1)C(C)C 269862a_100015525214_100011350566 [1,0,1,0,0,0|2,0,0]=4 737 B13R1.405 CCNC(c1cccnc1)C(C)C 2230a_100015185317_100000210202 [1,0,1,0,0,0|2,0,0]=4 738 B13R1.405 CCNC(c1ccncc1)C(C)C 2230a_100000755331_100000210202 [1,0,1,0,0,0|2,0,0]=4 739 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [1,0,1,0,0,0|2,0,0]=4 740 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [1,0,1,0,0,0|1,0,0]=3 741 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [1,0,1,0,0,0|1,0,0]=3 742 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [1,0,1,0,0,0|1,0,1]=4 743 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [1,0,1,0,0,0|1,0,1]=4 744 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [1,0,1,0,0,0|0,0,0]=2 745 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [1,0,1,0,0,0|0,0,0]=2 746 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_200000210301 [1,0,1,0,0,0|2,0,0]=4 747 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 34a_200009885855_200000210301 [1,0,1,0,0,0|2,0,0]=4 748 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [1,0,1,0,0,0|1,0,1]=4 749 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [1,0,1,0,0,0|1,0,1]=4 750 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [1,0,1,0,0,0|1,0,1]=4 751 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [1,0,1,0,0,0|1,0,1]=4 752 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [1,0,1,0,0,0|2,0,0]=4 753 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [1,0,1,0,0,0|2,0,0]=4 754 B13R1.532 CCC(C)N(CC)c1ccccc1 2230a_100000210013_100000758301 [1,0,1,0,0,0|2,0,0]=4 755 B13R1.532 CCC(C)N(CC)c1ccccc1 269982a_100000210013_100000758301 [1,0,1,0,0,0|2,0,0]=4 756 B13R1.532 CCC(C)N(CC)c1ccccc1 34a_100000210013_100011215416 [1,0,1,0,0,0|2,0,0]=4 757 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [1,0,1,0,0,0|2,0,0]=4 758 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [1,0,1,0,0,0|2,0,0]=4 759 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [1,0,1,0,0,0|2,0,0]=4 760 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [1,0,1,0,0,0|2,0,0]=4 761 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [1,0,1,0,0,0|2,0,0]=4 762 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [1,0,1,0,0,0|2,0,0]=4 763 B13R1.532 CCN(c1ccccc1)C(C)OC 269982a_100000210013_100009879195 [1,0,1,0,0,0|2,0,0]=4 764 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [1,0,1,0,0,0|1,0,1]=4 765 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [1,0,1,0,0,0|1,0,1]=4 766 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [1,0,1,0,0,0|1,0,1]=4 767 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [1,0,1,0,0,0|1,0,1]=4 768 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [1,0,1,0,0,0|1,0,1]=4 769 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [1,0,1,0,0,0|1,0,1]=4 770 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [1,0,1,0,0,0|2,0,0]=4 771 B13R1.28 C/C=C/CCOCc1ccccc1 34a_100016278192_100015291786 [1,0,1,0,0,0|1,0,1]=4 772 B13R1.28 CC#CCCOCc1ccccc1 34a_100000750427_100015291786 [1,0,1,0,0,0|1,0,1]=4 773 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [1,0,1,0,0,0|1,0,1]=4 774 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [1,0,1,0,0,0|1,0,1]=4 775 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [1,0,1,0,0,0|1,0,1]=4 776 B13R1.28 CCC#CCOCc1ccccc1 34a_100000032950_100015291786 [1,0,1,0,0,0|1,0,1]=4 777 B13R1.28 CCC#CCOCc1ccccc1 34a_100000210790_100009813939 [1,0,1,0,0,0|1,0,1]=4 778 B13R1.28 CCC#CCOCc1ccccc1 7a_100000210790_100009813939 [1,0,1,0,0,0|1,0,1]=4 779 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [1,0,1,0,0,0|2,0,0]=4 780 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [1,0,1,0,0,0|2,0,0]=4 781 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [1,0,1,0,0,0|2,0,0]=4 782 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [1,0,1,0,0,0|2,0,0]=4 783 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [1,0,1,0,0,0|2,0,0]=4 784 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [1,0,1,0,0,0|1,0,0]=3 785 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [1,0,1,0,0,0|1,0,0]=3 786 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [1,0,1,0,0,0|1,0,0]=3 787 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [1,0,1,0,0,0|1,0,0]=3 788 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [1,0,1,0,0,0|2,0,0]=4 789 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [1,0,1,0,0,0|2,0,0]=4 790 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [1,0,1,0,0,0|2,0,0]=4 791 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [1,0,1,0,0,0|2,0,0]=4 792 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [1,0,1,0,0,0|2,0,0]=4 793 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [1,0,1,0,0,0|1,1,0]=4 794 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [1,0,1,0,0,0|1,1,0]=4 795 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [1,0,1,0,0,0|2,0,0]=4 796 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [1,0,1,0,0,0|2,0,0]=4 797 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [1,0,1,0,0,0|2,0,0]=4 798 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [1,0,1,0,0,0|1,0,0]=3 799 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [1,0,1,0,0,0|1,0,0]=3 800 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [1,0,1,0,0,0|1,0,0]=3 801 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [1,0,1,0,0,0|2,0,0]=4 802 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [1,0,1,0,0,0|2,0,0]=4 803 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [1,0,1,0,0,0|2,0,0]=4 804 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [1,0,1,0,0,0|2,0,0]=4 805 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [1,0,1,0,0,0|2,0,0]=4 806 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [1,0,1,0,0,0|2,0,0]=4 807 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [1,0,1,0,0,0|0,0,0]=2 808 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [1,0,1,0,0,0|0,0,0]=2 809 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [1,0,1,0,0,0|0,0,0]=2 810 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [1,0,1,0,0,0|0,1,0]=3 811 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [1,0,1,0,0,0|0,1,0]=3 812 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [1,0,1,0,0,0|0,1,0]=3 813 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [1,0,1,0,0,0|0,1,0]=3 814 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [1,0,1,0,0,0|2,0,0]=4 815 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [1,0,1,0,0,0|2,0,0]=4 816 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [1,0,1,0,0,0|2,0,0]=4 817 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [1,0,1,0,0,0|2,0,0]=4 818 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [1,0,1,0,0,0|2,0,0]=4 819 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [1,0,1,0,0,0|2,0,0]=4 820 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [1,0,1,0,0,0|2,0,0]=4 821 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [1,0,1,0,0,0|2,0,0]=4 822 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [1,0,1,0,0,0|2,0,0]=4 823 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [1,0,1,0,0,0|2,0,0]=4 824 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [1,0,1,0,0,0|1,0,0]=3 825 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [1,0,1,0,0,0|1,0,0]=3 826 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [1,0,1,0,0,0|1,0,0]=3 827 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [1,0,1,0,0,0|1,0,0]=3 828 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [1,0,1,0,0,0|1,0,0]=3 829 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [1,0,1,0,0,0|1,0,0]=3 830 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [1,0,1,0,0,0|1,0,0]=3 831 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [1,0,1,0,0,0|2,0,0]=4 832 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [1,0,1,0,0,0|2,0,0]=4 833 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [1,0,1,0,0,0|2,0,0]=4 834 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [1,0,1,0,0,0|2,0,0]=4 835 B13R1.28 CCOCCOCc1ccncc1 7a_100000210136_100015193705 [1,0,1,0,0,0|2,0,0]=4 836 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [1,0,1,0,0,0|1,1,0]=4 837 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [1,0,1,0,0,0|1,1,0]=4 838 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [1,0,1,0,0,0|1,1,0]=4 839 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [1,0,1,0,0,0|1,1,0]=4 840 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [1,0,1,0,0,0|1,1,0]=4 841 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [1,0,1,0,0,0|2,0,0]=4 842 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [1,0,1,0,0,0|2,0,0]=4 843 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [1,0,1,0,0,0|2,0,0]=4 844 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [1,0,1,0,0,0|2,0,0]=4 845 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [1,0,1,0,0,0|2,0,0]=4 846 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [1,0,1,0,0,0|2,0,0]=4 847 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [1,0,1,0,0,0|2,0,0]=4 848 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [1,0,1,0,0,0|1,0,0]=3 849 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [1,0,1,0,0,0|1,0,0]=3 850 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [1,0,1,0,0,0|1,0,0]=3 851 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [1,0,1,0,0,0|1,0,0]=3 852 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [1,0,1,0,0,0|1,0,0]=3 853 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [1,0,1,0,0,0|1,0,0]=3 854 B13R1.28 CCSCCOCc1ccccn1 34a_100000212035_100000721315 [1,0,1,0,0,0|2,0,0]=4 855 B13R1.28 CCSCCOCc1ccccn1 7a_100000212035_100000721315 [1,0,1,0,0,0|2,0,0]=4 856 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [1,0,1,0,0,0|2,0,0]=4 857 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [1,0,1,0,0,0|2,0,0]=4 858 B13R1.28 CCSCCOCc1ccncc1 7a_100000212035_100015193705 [1,0,1,0,0,0|2,0,0]=4 859 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [1,0,1,0,0,0|1,1,0]=4 860 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [1,0,1,0,0,0|1,1,0]=4 861 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [1,0,1,0,0,0|1,1,0]=4 862 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [1,0,1,0,0,0|1,1,0]=4 863 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [1,0,1,0,0,0|2,0,0]=4 864 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [1,0,1,0,0,0|2,0,0]=4 865 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [1,0,1,0,0,0|2,0,0]=4 866 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [1,0,1,0,0,0|2,0,0]=4 867 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [1,0,1,0,0,0|2,0,0]=4 868 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [1,0,1,0,0,0|2,0,0]=4 869 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [1,0,1,0,0,0|2,0,0]=4 870 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [1,0,1,0,0,0|2,0,0]=4 871 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [1,0,1,0,0,0|2,0,0]=4 872 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [1,0,1,0,0,0|2,0,0]=4 873 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [1,0,1,0,0,0|2,0,0]=4 874 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [1,0,1,0,0,0|2,0,0]=4 875 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [1,0,1,0,0,0|2,0,0]=4 876 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [1,0,1,0,0,0|2,0,0]=4 877 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [1,0,1,0,0,0|2,0,0]=4 878 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [1,0,1,0,0,0|2,0,0]=4 879 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [1,0,1,0,0,0|2,0,0]=4 880 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [1,0,1,0,0,0|2,0,0]=4 881 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [1,0,1,0,0,0|2,0,0]=4 882 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [1,0,1,0,0,0|2,0,0]=4 883 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [1,0,1,0,0,0|2,0,0]=4 884 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [1,0,1,0,0,0|2,0,0]=4 885 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [1,0,1,0,0,0|2,0,0]=4 886 B13R1.28 FCNCCOCc1ccccc1 34a_100000753106_100015361967 [1,0,1,0,0,0|1,0,0]=3 887 B13R1.28 FCNCCSCc1ccccc1 34a_100000189534_100015361967 [1,0,1,0,0,0|1,1,0]=4 888 B13R1.28 FCNCCSCc1ccccc1 7a_100000189534_100015361967 [1,0,1,0,0,0|1,1,0]=4 889 B13R1.28 FCOCCOCc1ccccc1 34a_100000759325_100015361967 [1,0,1,0,0,0|2,0,0]=4 890 B13R1.28 FCOCCOCc1ccccc1 7a_100000759325_100015361967 [1,0,1,0,0,0|2,0,0]=4 891 B13R1.28 FCSCCOCc1ccccc1 62a_100000234347_100015361967 [1,0,1,0,0,0|2,0,0]=4 892 B13R1.28 FCSCCOCc1ccccc1 62a_100015361967_100000234347 [1,0,1,0,0,0|2,0,0]=4 893 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [1,0,1,0,0,0|2,0,0]=4 894 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [1,0,1,0,0,0|2,0,0]=4 895 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [1,0,1,0,0,0|2,0,0]=4 896 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [1,0,1,0,0,0|2,0,0]=4 897 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [1,0,1,0,0,0|2,0,0]=4 898 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [1,0,1,0,0,0|2,0,0]=4 899 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [1,0,1,0,0,0|2,0,0]=4 900 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [1,0,1,0,0,0|2,0,0]=4 901 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [1,0,1,0,0,0|2,0,0]=4 902 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [1,0,1,0,0,0|2,0,0]=4 903 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [1,0,1,0,0,0|1,0,1]=4 904 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [1,0,1,0,0,0|1,0,1]=4 905 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [1,0,1,0,0,0|1,0,1]=4 906 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [1,0,1,0,0,0|1,0,1]=4 907 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [1,0,1,0,0,0|1,0,1]=4 908 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [1,0,1,0,0,0|1,0,1]=4 909 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,1,0,0,0|2,0,0]=4 910 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,1,0,0,0|2,0,0]=4 911 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,1,0,0,0|2,0,0]=4 912 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,1,0,0,0|2,0,0]=4 913 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,1,0,0,0|2,0,0]=4 914 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [1,0,1,0,0,0|2,0,0]=4 915 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [1,0,1,0,0,0|2,0,0]=4 916 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [1,0,1,0,0,0|2,0,0]=4 917 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [1,0,1,0,0,0|2,0,0]=4 918 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [1,0,1,0,0,0|2,0,0]=4 919 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [1,0,1,0,0,0|2,0,0]=4 920 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [1,0,1,0,0,0|1,0,0]=3 921 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [1,0,1,0,0,0|1,0,0]=3 922 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [1,0,1,0,0,0|1,0,0]=3 923 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [1,0,1,0,0,0|1,0,0]=3 924 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [1,0,1,0,0,0|2,0,0]=4 925 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [1,0,1,0,0,0|2,0,0]=4 926 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [1,0,1,0,0,0|2,0,0]=4 927 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [1,0,1,0,0,0|2,0,0]=4 928 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [1,0,1,0,0,0|2,0,0]=4 929 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [1,0,1,0,0,0|1,1,0]=4 930 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [1,0,1,0,0,0|1,1,0]=4 931 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [1,0,1,0,0,0|2,0,0]=4 932 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [1,0,1,0,0,0|2,0,0]=4 933 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [1,0,1,0,0,0|2,0,0]=4 934 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [1,0,1,0,0,0|2,0,0]=4 935 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [1,0,1,0,0,0|2,0,0]=4 936 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [1,0,1,0,0,0|2,0,0]=4 937 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [1,0,1,0,0,0|2,0,0]=4 938 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [1,0,1,0,0,0|2,0,0]=4 939 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [1,0,1,0,0,0|1,0,0]=3 940 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [1,0,1,0,0,0|1,0,0]=3 941 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [1,0,1,0,0,0|1,0,0]=3 942 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [1,0,1,0,0,0|1,0,0]=3 943 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [1,0,1,0,0,0|1,0,0]=3 944 B13R1.337 CN(C)CCCCc1ccncc1 2230a_100102631434_100020630000 [1,0,1,0,0,0|2,0,0]=4 945 B13R1.337 CN(C)CCCCc1ccncc1 269982a_100102631434_100020630000 [1,0,1,0,0,0|2,0,0]=4 946 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [1,0,1,0,0,0|2,0,0]=4 947 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [1,0,1,0,0,0|2,0,0]=4 948 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [1,0,1,0,0,0|2,0,0]=4 949 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [1,0,1,0,0,0|2,0,0]=4 950 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [1,0,1,0,0,0|2,0,0]=4 951 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [1,0,1,0,0,0|2,0,0]=4 952 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [1,0,1,0,0,0|2,0,0]=4 953 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [1,0,1,0,0,0|2,0,0]=4 954 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [1,0,1,0,0,0|2,0,0]=4 955 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [1,0,1,0,0,0|2,0,0]=4 956 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [1,0,1,0,0,0|1,0,0]=3 957 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [1,0,1,0,0,0|1,0,0]=3 958 B13R1.337 CN(C)CCNCc1ccccn1 207a_100000210585_100000209966 [1,0,1,0,0,0|2,0,0]=4 959 B13R1.337 CN(C)CCNCc1ccccn1 270004a_100000210585_100000209966 [1,0,1,0,0,0|2,0,0]=4 960 B13R1.337 CN(C)CCNCc1cccnc1 207a_100000210585_100000209961 [1,0,1,0,0,0|2,0,0]=4 961 B13R1.337 CN(C)CCNCc1cccnc1 270004a_100000210585_100000209961 [1,0,1,0,0,0|2,0,0]=4 962 B13R1.337 CN(C)CCNCc1ccncc1 207a_100000210585_100000186114 [1,0,1,0,0,0|2,0,0]=4 963 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [1,0,1,0,0,0|0,0,0]=2 964 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [1,0,1,0,0,0|0,0,0]=2 965 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [1,0,1,0,0,0|0,0,0]=2 966 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [1,0,1,0,0,0|0,0,0]=2 967 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [1,0,1,0,0,0|0,0,0]=2 968 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [1,0,1,0,0,0|0,1,0]=3 969 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [1,0,1,0,0,0|0,1,0]=3 970 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [1,0,1,0,0,0|0,1,0]=3 971 B13R1.337 CN(C)CCSCc1ccccn1 62a_100000721315_100000755713 [1,0,1,0,0,0|1,1,0]=4 972 B13R1.337 CN(C)CCSCc1cccnc1 62a_100000741622_100000755713 [1,0,1,0,0,0|1,1,0]=4 973 B13R1.337 CN(C)CCSCc1ccncc1 62a_100015193705_100000755713 [1,0,1,0,0,0|1,1,0]=4 974 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [1,0,1,0,0,0|1,0,0]=3 975 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [1,0,1,0,0,0|1,0,0]=3 976 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [1,0,1,0,0,0|1,0,0]=3 977 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [1,0,1,0,0,0|2,0,0]=4 978 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [1,0,1,0,0,0|2,0,0]=4 979 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [1,0,1,0,0,0|2,0,0]=4 980 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [1,0,1,0,0,0|2,0,0]=4 981 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [1,0,1,0,0,0|0,0,0]=2 982 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [1,0,1,0,0,0|0,0,0]=2 983 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [1,0,1,0,0,0|2,0,0]=4 984 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,1,0,0,0|2,0,0]=4 985 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [1,0,1,0,0,0|2,0,0]=4 986 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [1,0,1,0,0,0|1,0,0]=3 987 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [1,0,1,0,0,0|2,0,0]=4 988 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [1,0,1,0,0,0|2,0,0]=4 989 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000225692_100000691760 [0,1,1,0,0,0|1,0,1]=4 990 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)C 270004a_100000225692_100000751045 [0,1,1,0,0,0|1,0,1]=4 991 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000225692_100000747806 [0,1,1,0,0,0|1,0,1]=4 992 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)F 270004a_100000225692_100000745281 [0,1,1,0,0,0|1,0,1]=4 993 B15R1.48 C#CCN(C)C(C)Cc1ccc(cc1)O 270004a_100000225692_100011218180 [0,1,1,0,0,0|1,0,1]=4 994 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000225617_100000691760 [0,1,1,0,0,0|1,0,1]=4 995 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)C 270004a_100000225617_100000751045 [0,1,1,0,0,0|1,0,1]=4 996 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000225617_100000747806 [0,1,1,0,0,0|1,0,1]=4 997 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)F 270004a_100000225617_100000745281 [0,1,1,0,0,0|1,0,1]=4 998 B15R1.48 C=CCN(C)C(C)Cc1ccc(cc1)O 270004a_100000225617_100011218180 [0,1,1,0,0,0|1,0,1]=4 999 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Br 2230a_100000180866_100009893172 [0,1,1,0,0,0|2,0,0]=4 1000 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Br 2230a_100000731037_100011217064 [0,1,1,0,0,0|2,0,0]=4 1001 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Br 269982a_100000180866_100009893172 [0,1,1,0,0,0|2,0,0]=4 1002 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Br 269982a_100000731037_100011217064 [0,1,1,0,0,0|2,0,0]=4 1003 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Br 270004a_100000731037_100000186029 [0,1,1,0,0,0|2,0,0]=4 1004 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 2230a_100000184517_100009893172 [0,1,1,0,0,0|2,0,0]=4 1005 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 2230a_100000731037_100000694040 [0,1,1,0,0,0|2,0,0]=4 1006 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 269982a_100000184517_100009893172 [0,1,1,0,0,0|2,0,0]=4 1007 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 269982a_100000731037_100000187161 [0,1,1,0,0,0|2,0,0]=4 1008 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 270004a_100000731037_100000189385 [0,1,1,0,0,0|2,0,0]=4 1009 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl 34a_100000184517_100009893172 [0,1,1,0,0,0|2,0,0]=4 1010 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F 2230a_100000184576_100009893172 [0,1,1,0,0,0|2,0,0]=4 1011 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F 2230a_100000731037_100000198546 [0,1,1,0,0,0|2,0,0]=4 1012 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F 269982a_100000184576_100009893172 [0,1,1,0,0,0|2,0,0]=4 1013 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F 269982a_100000731037_100000198546 [0,1,1,0,0,0|2,0,0]=4 1014 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F 270004a_100000731037_100000210084 [0,1,1,0,0,0|2,0,0]=4 1015 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)F 34a_100000184576_100009893172 [0,1,1,0,0,0|2,0,0]=4 1016 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)I 2230a_100000731037_100000189116 [0,1,1,0,0,0|2,0,0]=4 1017 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)I 269982a_100000731037_100000189116 [0,1,1,0,0,0|2,0,0]=4 1018 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)O 2230a_100000207500_100009893172 [0,1,1,0,0,0|2,0,0]=4 1019 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)O 269982a_100000207500_100009893172 [0,1,1,0,0,0|2,0,0]=4 1020 B15R1.48 CC(Cc1ccc(cc1)Br)C(=O)CCO 1458a_100000695199_100000211926 [0,1,1,0,0,0|2,0,0]=4 1021 B15R1.48 CC(Cc1ccc(cc1)Br)N(C)CCO 270004a_100000210263_100000691760 [0,1,1,0,0,0|0,0,0]=2 1022 B15R1.48 CC(Cc1ccc(cc1)Cl)N(C)CCO 270004a_100000210263_100000747806 [0,1,1,0,0,0|0,0,0]=2 1023 B15R1.48 CC(Cc1ccc(cc1)F)C(=O)CCO 1458a_100000746122_100000211926 [0,1,1,0,0,0|2,0,0]=4 1024 B15R1.48 CC(Cc1ccc(cc1)F)N(C)CCO 270004a_100000210263_100000745281 [0,1,1,0,0,0|0,0,0]=2 1025 B15R1.48 CC(Cc1ccc(cc1)O)N(C)CCO 270004a_100000210263_100011218180 [0,1,1,0,0,0|0,0,0]=2 1026 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)Br 270004a_100000747261_100000691760 [0,1,1,0,0,0|1,0,0]=3 1027 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)C 270004a_100000747261_100000751045 [0,1,1,0,0,0|1,0,0]=3 1028 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000747806 [0,1,1,0,0,0|1,0,0]=3 1029 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)F 270004a_100000747261_100000745281 [0,1,1,0,0,0|1,0,0]=3 1030 B15R1.48 CCCN(C)C(C)Cc1ccc(cc1)O 270004a_100000747261_100011218180 [0,1,1,0,0,0|1,0,0]=3 1031 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Br 240690a_100000210263_100000198978 [0,1,1,0,0,0|1,0,1]=4 1032 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Br 527a_100000210263_100000198978 [0,1,1,0,0,0|1,0,1]=4 1033 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Cl 240690a_100000210263_100000211027 [0,1,1,0,0,0|1,0,1]=4 1034 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)Cl 527a_100000210263_100000211027 [0,1,1,0,0,0|1,0,1]=4 1035 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)F 240690a_100000210263_100000210951 [0,1,1,0,0,0|1,0,1]=4 1036 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)F 527a_100000210263_100000210951 [0,1,1,0,0,0|1,0,1]=4 1037 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)I 240690a_100000210263_100000688869 [0,1,1,0,0,0|1,0,1]=4 1038 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)I 527a_100000210263_100000688869 [0,1,1,0,0,0|1,0,1]=4 1039 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)O 240690a_100000210263_100000198540 [0,1,1,0,0,0|1,0,1]=4 1040 B15R1.48 CN(CCO)C(=O)Cc1ccc(cc1)O 527a_100000210263_100000198540 [0,1,1,0,0,0|1,0,1]=4 1041 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CCO 240690a_100000210263_100000212244 [0,1,1,0,0,0|1,0,1]=4 1042 B15R1.48 Cc1ccc(cc1)CC(=O)N(C)CCO 527a_100000210263_100000212244 [0,1,1,0,0,0|1,0,1]=4 1043 B15R1.48 Cc1ccc(cc1)CC(C)N(C)CCO 270004a_100000210263_100000751045 [0,1,1,0,0,0|0,0,0]=2 1044 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 2230a_100000731037_100000210814 [0,1,1,0,0,0|2,0,0]=4 1045 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 2230a_100000744650_100009893172 [0,1,1,0,0,0|2,0,0]=4 1046 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 269982a_100000731037_100000210814 [0,1,1,0,0,0|2,0,0]=4 1047 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 269982a_100000744650_100009893172 [0,1,1,0,0,0|2,0,0]=4 1048 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 270004a_100000731037_100000211033 [0,1,1,0,0,0|2,0,0]=4 1049 B15R1.48 Cc1ccc(cc1)CN(C)C(C)CCO 34a_100000744650_100009893172 [0,1,1,0,0,0|2,0,0]=4 1050 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)Br 270004a_100000225692_100000689217 [0,1,1,0,0,0|1,0,1]=4 1051 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000225692_100000727212 [0,1,1,0,0,0|1,0,1]=4 1052 B15R1.49 C#CCN(C)C(C)Cc1cccc(c1)F 270004a_100000225692_100000687711 [0,1,1,0,0,0|1,0,1]=4 1053 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)Br 270004a_100000225617_100000689217 [0,1,1,0,0,0|1,0,1]=4 1054 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000225617_100000727212 [0,1,1,0,0,0|1,0,1]=4 1055 B15R1.49 C=CCN(C)C(C)Cc1cccc(c1)F 270004a_100000225617_100000687711 [0,1,1,0,0,0|1,0,1]=4 1056 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Br 2230a_100000187585_100009893172 [0,1,1,0,0,0|2,0,0]=4 1057 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Br 2230a_100000731037_100000698116 [0,1,1,0,0,0|2,0,0]=4 1058 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Br 269982a_100000187585_100009893172 [0,1,1,0,0,0|2,0,0]=4 1059 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Br 269982a_100000731037_100000211773 [0,1,1,0,0,0|2,0,0]=4 1060 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Br 270004a_100000731037_100000210085 [0,1,1,0,0,0|2,0,0]=4 1061 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl 2230a_100000731037_100000181238 [0,1,1,0,0,0|2,0,0]=4 1062 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl 2230a_100020629429_100009893172 [0,1,1,0,0,0|2,0,0]=4 1063 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl 269982a_100000731037_100000181238 [0,1,1,0,0,0|2,0,0]=4 1064 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl 269982a_100020629429_100009893172 [0,1,1,0,0,0|2,0,0]=4 1065 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl 270004a_100000731037_100000210801 [0,1,1,0,0,0|2,0,0]=4 1066 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 2230a_100000184398_100009893172 [0,1,1,0,0,0|2,0,0]=4 1067 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 2230a_100000731037_100000230114 [0,1,1,0,0,0|2,0,0]=4 1068 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 269982a_100000184398_100009893172 [0,1,1,0,0,0|2,0,0]=4 1069 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 269982a_100000731037_100000230114 [0,1,1,0,0,0|2,0,0]=4 1070 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 270004a_100000731037_100000210812 [0,1,1,0,0,0|2,0,0]=4 1071 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)F 34a_100000184398_100009893172 [0,1,1,0,0,0|2,0,0]=4 1072 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)I 2230a_100000731037_100011218688 [0,1,1,0,0,0|2,0,0]=4 1073 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)I 269982a_100000731037_100011218688 [0,1,1,0,0,0|2,0,0]=4 1074 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)I 270004a_100000731037_100000014684 [0,1,1,0,0,0|2,0,0]=4 1075 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)O 2230a_100000207540_100009893172 [0,1,1,0,0,0|2,0,0]=4 1076 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)O 2230a_100000731037_100011660834 [0,1,1,0,0,0|2,0,0]=4 1077 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)O 269982a_100000207540_100009893172 [0,1,1,0,0,0|2,0,0]=4 1078 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)O 269982a_100000731037_100000084143 [0,1,1,0,0,0|2,0,0]=4 1079 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)O 270004a_100000731037_100000188321 [0,1,1,0,0,0|2,0,0]=4 1080 B15R1.49 CC(Cc1cccc(c1)Br)N(C)CCO 270004a_100000210263_100000689217 [0,1,1,0,0,0|0,0,0]=2 1081 B15R1.49 CC(Cc1cccc(c1)Cl)N(C)CCO 270004a_100000210263_100000727212 [0,1,1,0,0,0|0,0,0]=2 1082 B15R1.49 CC(Cc1cccc(c1)F)N(C)CCO 270004a_100000210263_100000687711 [0,1,1,0,0,0|0,0,0]=2 1083 B15R1.49 CCCN(C)C(C)Cc1cc(ccn1)C 270004a_100000747261_200015184229 [0,1,1,0,0,0|2,0,0]=4 1084 B15R1.49 CCCN(C)C(C)Cc1cccc(c1)Br 270004a_100000747261_100000689217 [0,1,1,0,0,0|1,0,0]=3 1085 B15R1.49 CCCN(C)C(C)Cc1cccc(c1)Cl 270004a_100000747261_100000727212 [0,1,1,0,0,0|1,0,0]=3 1086 B15R1.49 CCCN(C)C(C)Cc1cccc(c1)F 270004a_100000747261_100000687711 [0,1,1,0,0,0|1,0,0]=3 1087 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Br 240690a_100000210263_100000747190 [0,1,1,0,0,0|1,0,1]=4 1088 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Br 527a_100000210263_100000747190 [0,1,1,0,0,0|1,0,1]=4 1089 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Cl 240690a_100000210263_100000749307 [0,1,1,0,0,0|1,0,1]=4 1090 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)Cl 527a_100000210263_100000749307 [0,1,1,0,0,0|1,0,1]=4 1091 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)F 240690a_100000210263_100000211661 [0,1,1,0,0,0|1,0,1]=4 1092 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)F 527a_100000210263_100000211661 [0,1,1,0,0,0|1,0,1]=4 1093 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)I 240690a_100000210263_100000238430 [0,1,1,0,0,0|1,0,1]=4 1094 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)I 527a_100000210263_100000238430 [0,1,1,0,0,0|1,0,1]=4 1095 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)O 240690a_100000210263_100000745134 [0,1,1,0,0,0|1,0,1]=4 1096 B15R1.49 CN(CCO)C(=O)Cc1cccc(c1)O 527a_100000210263_100000745134 [0,1,1,0,0,0|1,0,1]=4 1097 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CCO 240690a_100000210263_100011206899 [0,1,1,0,0,0|1,0,1]=4 1098 B15R1.49 Cc1cccc(c1)CC(=O)N(C)CCO 527a_100000210263_100011206899 [0,1,1,0,0,0|1,0,1]=4 1099 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 2230a_100000731037_100000211840 [0,1,1,0,0,0|2,0,0]=4 1100 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 2230a_102495364743_100009893172 [0,1,1,0,0,0|2,0,0]=4 1101 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 269982a_100000731037_100000211840 [0,1,1,0,0,0|2,0,0]=4 1102 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 269982a_102495364743_100009893172 [0,1,1,0,0,0|2,0,0]=4 1103 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 270004a_100000731037_100000211157 [0,1,1,0,0,0|2,0,0]=4 1104 B15R1.49 Cc1cccc(c1)CN(C)C(C)CCO 34a_102495364743_100009893172 [0,1,1,0,0,0|2,0,0]=4 1105 B15R1.49 Cc1ccnc(c1)CC(C)N(C)CCO 270004a_100000210263_200015184229 [0,1,1,0,0,0|1,0,0]=3 1106 B15R1.496 C=C(C)CN(C)C(C)Cc1ccccc1 269982a_100000225649_200011218536 [0,1,1,0,0,0|1,0,1]=4 1107 B15R1.496 CC(C)CN(C)C(C)C[n+]1ccccc1 270004a_100000747067_100000034229 [0,1,1,0,0,0|2,0,0]=4 1108 B15R1.496 CC(C)CN(C)C(C)Cc1ccccc1 269982a_100000747067_200011218536 [0,1,1,0,0,0|1,0,0]=3 1109 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210760 [0,1,1,0,0,0|2,0,0]=4 1110 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210624 [0,1,1,0,0,0|2,0,0]=4 1111 B15R1.496 CC(C)CN(C)C(C)Cc1ccccn1 270004a_200011351704_100000210432 [0,1,1,0,0,0|2,0,0]=4 1112 B15R1.496 CC(C)CN(C)C(C)Cc1cccnc1 270004a_100000747067_100015187140 [0,1,1,0,0,0|2,0,0]=4 1113 B15R1.496 CC(C)CN(C)C(C)Cc1ccncc1 270004a_100000747067_100000238508 [0,1,1,0,0,0|2,0,0]=4 1114 B15R1.496 CC(Cc1ccccc1)C(=O)C[C@@H](C)O 1458a_100011933948_200011218536 [0,1,1,0,0,0|2,0,0]=4 1115 B15R1.496 CC(Cc1ccccc1)N(C)CC(=O)O 269956a_100000746989_200011218536 [0,1,1,0,0,0|0,0,1]=3 1116 B15R1.496 CC(Cc1ccccn1)N(C)CC(F)F 2230a_200011351704_100011934356 [0,1,1,0,0,0|2,0,0]=4 1117 B15R1.496 CC(Cc1ccccn1)N(C)CC(F)F 269982a_200011351704_100011934356 [0,1,1,0,0,0|2,0,0]=4 1118 B15R1.496 CC(Cc1ccccn1)N(C)C[C@@H](C)O 2230a_200011351704_100009817552 [0,1,1,0,0,0|1,0,0]=3 1119 B15R1.496 CC(Cc1ccccn1)N(C)C[C@@H](C)O 269982a_200011351704_100009817552 [0,1,1,0,0,0|1,0,0]=3 1120 B15R1.496 CC(O)CC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011218427 [0,1,1,0,0,0|2,0,0]=4 1121 B15R1.496 CC(O)CN(C)C(C)C[n+]1ccccc1 270004a_100000227577_100000034229 [0,1,1,0,0,0|1,0,0]=3 1122 B15R1.496 CC(O)CN(C)C(C)Cc1ccccc1 269982a_100000227577_200011218536 [0,1,1,0,0,0|0,0,0]=2 1123 B15R1.496 CC(O)CN(C)C(C)Cc1ccccn1 2230a_200011351704_100011218427 [0,1,1,0,0,0|1,0,0]=3 1124 B15R1.496 CC(O)CN(C)C(C)Cc1ccccn1 269982a_200011351704_100011218427 [0,1,1,0,0,0|1,0,0]=3 1125 B15R1.496 CC(O)CN(C)C(C)Cc1cccnc1 270004a_100000227577_100015187140 [0,1,1,0,0,0|1,0,0]=3 1126 B15R1.496 CC(O)CN(C)C(C)Cc1ccncc1 270004a_100000227577_100000238508 [0,1,1,0,0,0|1,0,0]=3 1127 B15R1.496 CC(O)CN(C)C(C)Cc1cnccn1 270004a_100000227577_100015184882 [0,1,1,0,0,0|2,0,0]=4 1128 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000688953 [0,1,1,0,0,0|2,0,0]=4 1129 B15R1.551 C#CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000730999 [0,1,1,0,0,0|2,0,0]=4 1130 B15R1.551 C=CCCN(C)C(C)C[n+]1ccccc1 270004a_100020639649_100000034229 [0,1,1,0,0,0|2,0,0]=4 1131 B15R1.551 C=CCCN(C)C(C)Cc1ccccc1 269982a_100020639649_200011218536 [0,1,1,0,0,0|1,0,0]=3 1132 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000754431 [0,1,1,0,0,0|2,0,0]=4 1133 B15R1.551 C=CCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000754431 [0,1,1,0,0,0|2,0,0]=4 1134 B15R1.551 C=CCCN(C)C(C)Cc1cccnc1 270004a_100020639649_100015187140 [0,1,1,0,0,0|2,0,0]=4 1135 B15R1.551 C=CCCN(C)C(C)Cc1ccncc1 270004a_100020639649_100000238508 [0,1,1,0,0,0|2,0,0]=4 1136 B15R1.551 CC(C[n+]1ccccc1)N(C)CCC#N 270004a_100000184479_100000034229 [0,1,1,0,0,0|2,0,0]=4 1137 B15R1.551 CC(C[n+]1ccccc1)N(C)CCCO 270004a_100000213112_100000034229 [0,1,1,0,0,0|1,0,0]=3 1138 B15R1.551 CC(Cc1ccccc1)C(=O)CCCO 1458a_100000754839_100011215043 [0,1,1,0,0,0|2,0,0]=4 1139 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000754839 [0,1,1,0,0,0|2,0,0]=4 1140 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000754839 [0,1,1,0,0,0|2,0,0]=4 1141 B15R1.551 CC(Cc1ccccc1)C(C)NCCF 269862a_100000724931_200011390852 [0,1,1,0,0,0|2,0,0]=4 1142 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 269862a_100000210304_200011390852 [0,1,1,0,0,0|1,0,0]=3 1143 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 270004a_100000210304_200011390852 [0,1,1,0,0,0|1,0,0]=3 1144 B15R1.551 CC(Cc1ccccc1)N(C)CCCO 269982a_100000213112_200011218536 [0,1,1,0,0,0|0,0,0]=2 1145 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 2230a_200011351704_100011215226 [0,1,1,0,0,0|2,0,0]=4 1146 B15R1.551 CC(Cc1ccccn1)N(C)CCC#N 269982a_200011351704_100011215226 [0,1,1,0,0,0|2,0,0]=4 1147 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 2230a_200011351704_100011934791 [0,1,1,0,0,0|2,0,0]=4 1148 B15R1.551 CC(Cc1ccccn1)N(C)CCCF 269982a_200011351704_100011934791 [0,1,1,0,0,0|2,0,0]=4 1149 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 2230a_200011351704_100000230001 [0,1,1,0,0,0|1,0,0]=3 1150 B15R1.551 CC(Cc1ccccn1)N(C)CCCO 269982a_200011351704_100011215043 [0,1,1,0,0,0|1,0,0]=3 1151 B15R1.551 CC(Cc1cccnc1)N(C)CCC#N 270004a_100000184479_100015187140 [0,1,1,0,0,0|2,0,0]=4 1152 B15R1.551 CC(Cc1cccnc1)N(C)CCCO 270004a_100000213112_100015187140 [0,1,1,0,0,0|1,0,0]=3 1153 B15R1.551 CC(Cc1ccncc1)N(C)CCC#N 270004a_100000184479_100000238508 [0,1,1,0,0,0|2,0,0]=4 1154 B15R1.551 CC(Cc1ccncc1)N(C)CCCO 270004a_100000213112_100000238508 [0,1,1,0,0,0|1,0,0]=3 1155 B15R1.551 CC(Cc1cnccn1)N(C)CCCO 270004a_100000213112_100015184882 [0,1,1,0,0,0|2,0,0]=4 1156 B15R1.551 CC(NCCO)C(C)Oc1ccccc1 270004a_100000210304_100000150574 [0,1,1,0,0,0|2,0,0]=4 1157 B15R1.551 CCCCN(C)C(C)C[n+]1ccccc1 270004a_100000207549_100000034229 [0,1,1,0,0,0|2,0,0]=4 1158 B15R1.551 CCCCN(C)C(C)Cc1ccccc1 269982a_100000207549_200011218536 [0,1,1,0,0,0|1,0,0]=3 1159 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000210211 [0,1,1,0,0,0|2,0,0]=4 1160 B15R1.551 CCCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000210211 [0,1,1,0,0,0|2,0,0]=4 1161 B15R1.551 CCCCN(C)C(C)Cc1cccnc1 270004a_100000207549_100015187140 [0,1,1,0,0,0|2,0,0]=4 1162 B15R1.551 CCCCN(C)C(C)Cc1ccncc1 270004a_100000207549_100000238508 [0,1,1,0,0,0|2,0,0]=4 1163 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 269862a_100020643023_200011390852 [0,1,1,0,0,0|2,0,0]=4 1164 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 270004a_100020643023_200011390852 [0,1,1,0,0,0|2,0,0]=4 1165 B15R1.551 CCOCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000739092 [0,1,1,0,0,0|2,0,0]=4 1166 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000749529_200011218536 [0,1,1,0,0,0|2,0,0]=4 1167 B15R1.551 COCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000233755 [0,1,1,0,0,0|2,0,0]=4 1168 B15R1.551 COCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000742357 [0,1,1,0,0,0|2,0,0]=4 1169 B15R1.551 COCCN(C)C(C)C[n+]1ccccc1 270004a_100000743101_100000034229 [0,1,1,0,0,0|1,0,0]=3 1170 B15R1.551 COCCN(C)C(C)Cc1ccccc1 269982a_100000743101_200011218536 [0,1,1,0,0,0|0,0,0]=2 1171 B15R1.551 COCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100011201679 [0,1,1,0,0,0|1,0,0]=3 1172 B15R1.551 COCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000233755 [0,1,1,0,0,0|1,0,0]=3 1173 B15R1.551 COCCN(C)C(C)Cc1cccnc1 270004a_100000743101_100015187140 [0,1,1,0,0,0|1,0,0]=3 1174 B15R1.551 COCCN(C)C(C)Cc1ccncc1 270004a_100000743101_100000238508 [0,1,1,0,0,0|1,0,0]=3 1175 B15R1.551 COCCN(C)C(C)Cc1cnccn1 270004a_100000743101_100015184882 [0,1,1,0,0,0|2,0,0]=4 1176 B15R1.551 CSCCN(C)C(C)C[n+]1ccccc1 270004a_100000686725_100000034229 [0,1,1,0,0,0|1,1,0]=4 1177 B15R1.551 CSCCN(C)C(C)Cc1ccccc1 269982a_100000686725_200011218536 [0,1,1,0,0,0|0,1,0]=3 1178 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 2230a_200011351704_100000751147 [0,1,1,0,0,0|1,1,0]=4 1179 B15R1.551 CSCCN(C)C(C)Cc1ccccn1 269982a_200011351704_100000212216 [0,1,1,0,0,0|1,1,0]=4 1180 B15R1.551 CSCCN(C)C(C)Cc1cccnc1 270004a_100000686725_100015187140 [0,1,1,0,0,0|1,1,0]=4 1181 B15R1.551 CSCCN(C)C(C)Cc1ccncc1 270004a_100000686725_100000238508 [0,1,1,0,0,0|1,1,0]=4 1182 B15R1.578 CC(C(=O)c1ccccc1)N(C)CCO 2230a_100000210263_100000239700 [0,1,1,0,0,0|0,0,1]=3 1183 B15R1.578 CC(C(=O)c1ccccc1)N(C)CCO 269982a_100000210263_100000239700 [0,1,1,0,0,0|0,0,1]=3 1184 B15R1.578 CC(CCO)N(C)C(C)c1ccccc1 2230a_100000195388_100009893172 [0,1,1,0,0,0|2,0,0]=4 1185 B15R1.578 CC(CCO)N(C)C(C)c1ccccc1 2230a_100000731037_100000230085 [0,1,1,0,0,0|2,0,0]=4 1186 B15R1.578 CC(CCO)N(C)C(C)c1ccccc1 269982a_100000195388_100009893172 [0,1,1,0,0,0|2,0,0]=4 1187 B15R1.578 CC(CCO)N(C)C(C)c1ccccc1 269982a_100000731037_100000230085 [0,1,1,0,0,0|2,0,0]=4 1188 B15R1.578 CCCN(C)C(C)C(=O)c1ccccc1 2230a_100000747261_100000239700 [0,1,1,0,0,0|1,0,1]=4 1189 B15R1.578 CCCN(C)C(C)C(=O)c1ccccc1 269982a_100000747261_100000239700 [0,1,1,0,0,0|1,0,1]=4 1190 B15R1.578 CN(CCO)C(=O)C(F)c1ccccc1 240690a_100000210263_100000698975 [0,1,1,0,0,0|1,0,1]=4 1191 B15R1.578 CN(CCO)C(=O)C(F)c1ccccc1 527a_100000210263_100000698975 [0,1,1,0,0,0|1,0,1]=4 1192 B15R1.578 CN(CCO)C(=O)[C@H](O)c1ccccc1 240690a_100000210263_100000684486 [0,1,1,0,0,0|1,0,1]=4 1193 B15R1.578 C[C@H](C(=O)N(C)CCO)c1ccccc1 240690a_100000210263_100000751047 [0,1,1,0,0,0|1,0,1]=4 1194 B15R1.578 C[C@H](C(=O)N(C)CCO)c1ccccc1 527a_100000210263_100000751047 [0,1,1,0,0,0|1,0,1]=4 1195 B15R1.640 C#CCN(C)C(CC)Cc1ccccc1 270004a_100000225692_100000212045 [0,1,1,0,0,0|1,0,1]=4 1196 B15R1.640 C#CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000038162 [0,1,1,0,0,0|1,0,1]=4 1197 B15R1.640 C=CCN(C)C(CC)Cc1ccccc1 270004a_100000225617_100000212045 [0,1,1,0,0,0|1,0,1]=4 1198 B15R1.640 C=CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210623 [0,1,1,0,0,0|1,0,1]=4 1199 B15R1.640 C=CCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210623 [0,1,1,0,0,0|1,0,1]=4 1200 B15R1.640 CCC(Cc1ccccc1)N(C)CCO 270004a_100000210263_100000212045 [0,1,1,0,0,0|0,0,0]=2 1201 B15R1.640 CCCN(C)C(CC)Cc1ccccc1 270004a_100000747261_100000212045 [0,1,1,0,0,0|1,0,0]=3 1202 B15R1.640 CCCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000210303 [0,1,1,0,0,0|1,0,0]=3 1203 B15R1.640 CCCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000210303 [0,1,1,0,0,0|1,0,0]=3 1204 B15R1.640 CCN(Cc1ccccc1)C(C)CCO 2230a_100000186914_100009893172 [0,1,1,0,0,0|2,0,0]=4 1205 B15R1.640 CCN(Cc1ccccc1)C(C)CCO 2230a_100011935059_100015291786 [0,1,1,0,0,0|2,0,0]=4 1206 B15R1.640 CCN(Cc1ccccc1)C(C)CCO 269982a_100000186914_100009893172 [0,1,1,0,0,0|2,0,0]=4 1207 B15R1.640 CCN(Cc1ccccc1)C(C)CCO 269982a_100011935059_100000211182 [0,1,1,0,0,0|2,0,0]=4 1208 B15R1.640 CCN(Cc1ccccc1)C(C)CCO 270004a_100011935059_100015611070 [0,1,1,0,0,0|2,0,0]=4 1209 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011215382 [0,1,1,0,0,0|1,0,1]=4 1210 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011214920 [0,1,1,0,0,0|1,0,1]=4 1211 B15R1.640 CN(CC=O)[C@H](CO)Cc1ccccc1 2230a_100016995599_200015260668 [0,1,1,0,0,0|0,0,2]=4 1212 B15R1.640 CN(CC=O)[C@H](CO)Cc1ccccc1 269982a_100016995599_200015260668 [0,1,1,0,0,0|0,0,2]=4 1213 B15R1.640 CN(CCF)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011217306 [0,1,1,0,0,0|1,0,0]=3 1214 B15R1.640 CN(CCF)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011217306 [0,1,1,0,0,0|1,0,0]=3 1215 B15R1.640 CN(CCO)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000211926 [0,1,1,0,0,0|0,0,0]=2 1216 B15R1.640 CN(CCO)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000211926 [0,1,1,0,0,0|0,0,0]=2 1217 B15R1.640 COCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000766300 [0,1,1,0,0,0|2,0,0]=4 1218 B15R1.640 COCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100000766300 [0,1,1,0,0,0|2,0,0]=4 1219 B15R1.640 CSCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011218213 [0,1,1,0,0,0|2,0,0]=4 1220 B15R1.640 CSCN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011218213 [0,1,1,0,0,0|2,0,0]=4 1221 B15R1.973 CC(CO)N(C)C(C)C[n+]1ccccc1 270004a_100000693034_100000034229 [0,1,1,0,0,0|1,0,0]=3 1222 B15R1.973 CC(CO)N(C)C(C)Cc1ccccc1 269982a_100000693034_200011218536 [0,1,1,0,0,0|0,0,0]=2 1223 B15R1.973 CC(CO)N(C)C(C)Cc1ccccn1 2230a_200011351704_100012180447 [0,1,1,0,0,0|1,0,0]=3 1224 B15R1.973 CC(CO)N(C)C(C)Cc1cccnc1 270004a_100000693034_100015187140 [0,1,1,0,0,0|1,0,0]=3 1225 B15R1.973 CC(CO)N(C)C(C)Cc1ccncc1 270004a_100000693034_100000238508 [0,1,1,0,0,0|1,0,0]=3 1226 B15R1.973 CC(CO)N(C)C(C)Cc1cnccn1 270004a_100000693034_100015184882 [0,1,1,0,0,0|2,0,0]=4 1227 B15R1.973 CC(Cc1ccccc1)C(=O)C(O)CO 1458a_100011215603_200011218536 [0,1,1,0,0,0|2,0,0]=4 1228 B15R1.973 CC(Cc1ccccn1)N(C)C(=O)CO 240690a_200011351704_100000210174 [0,1,1,0,0,0|1,0,1]=4 1229 B15R1.973 CC(Cc1ccccn1)N(C)C(=O)CO 527a_200011351704_100000210174 [0,1,1,0,0,0|1,0,1]=4 1230 B15R1.973 CC(Cc1ccccn1)N(C)[C@H](C)CO 269982a_200011351704_100016084084 [0,1,1,0,0,0|1,0,0]=3 1231 B15R1.973 CCC(C)N(C)C(C)C[n+]1ccccc1 270004a_100000741768_100000034229 [0,1,1,0,0,0|2,0,0]=4 1232 B15R1.973 CCC(C)N(C)C(C)Cc1ccccc1 269982a_100000741768_200011218536 [0,1,1,0,0,0|1,0,0]=3 1233 B15R1.973 CCC(C)N(C)C(C)Cc1ccccn1 2230a_200011351704_100000758301 [0,1,1,0,0,0|2,0,0]=4 1234 B15R1.973 CCC(C)N(C)C(C)Cc1ccccn1 269982a_200011351704_100000758301 [0,1,1,0,0,0|2,0,0]=4 1235 B15R1.973 CCC(C)N(C)C(C)Cc1cccnc1 270004a_100000741768_100015187140 [0,1,1,0,0,0|2,0,0]=4 1236 B15R1.973 CCC(C)N(C)C(C)Cc1ccncc1 270004a_100000741768_100000238508 [0,1,1,0,0,0|2,0,0]=4 1237 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 2230a_100000705463_100000210202 [0,1,1,0,0,0|1,0,1]=4 1238 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 269982a_100000705463_100000204670 [0,1,1,0,0,0|1,0,1]=4 1239 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 269982a_100000744766_200011218536 [0,1,1,0,0,0|1,0,1]=4 1240 B15R1.1289 C#CCN(CC)C(C)Cc1ccccc1 34a_100000705463_100000210202 [0,1,1,0,0,0|1,0,1]=4 1241 B15R1.1289 C#CCN(CF)C(C)Cc1ccccc1 269982a_100000705463_100015361967 [0,1,1,0,0,0|1,0,1]=4 1242 B15R1.1289 C#CCN(CF)C(C)Cc1ccccc1 34a_100000705463_100015361967 [0,1,1,0,0,0|1,0,1]=4 1243 B15R1.1289 CCCN(CC)C(C)C[n+]1ccccc1 270004a_100000226822_100000034229 [0,1,1,0,0,0|2,0,0]=4 1244 B15R1.1289 CCCN(CC)C(C)Cc1ccccc1 269982a_100000226822_200011218536 [0,1,1,0,0,0|1,0,0]=3 1245 B15R1.1289 CCCN(CC)C(C)Cc1cccnc1 270004a_100000226822_100015187140 [0,1,1,0,0,0|2,0,0]=4 1246 B15R1.1289 CCCN(CC)C(C)Cc1ccncc1 270004a_100000226822_100000238508 [0,1,1,0,0,0|2,0,0]=4 1247 B15R1.1289 CCN(CCO)C(C)C[n+]1ccccc1 270004a_100000210973_100000034229 [0,1,1,0,0,0|1,0,0]=3 1248 B15R1.1289 CCN(CCO)C(C)Cc1ccccc1 269982a_100000210973_200011218536 [0,1,1,0,0,0|0,0,0]=2 1249 B15R1.1289 CCN(CCO)C(C)Cc1cccnc1 270004a_100000210973_100015187140 [0,1,1,0,0,0|1,0,0]=3 1250 B15R1.1289 CCN(CCO)C(C)Cc1ccncc1 270004a_100000210973_100000238508 [0,1,1,0,0,0|1,0,0]=3 1251 B15R1.1289 CCN(CCO)C(C)Cc1cnccn1 270004a_100000210973_100015184882 [0,1,1,0,0,0|2,0,0]=4 1252 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1Br 270004a_100000225692_100011350739 [0,1,1,0,0,0|1,0,1]=4 1253 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1C 270004a_100000225692_200000764500 [0,1,1,0,0,0|1,0,1]=4 1254 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1Cl 270004a_100000225692_100000758791 [0,1,1,0,0,0|1,0,1]=4 1255 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1F 270004a_100000225692_100000709178 [0,1,1,0,0,0|1,0,1]=4 1256 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1Br 270004a_100000225617_100011350739 [0,1,1,0,0,0|1,0,1]=4 1257 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1C 270004a_100000225617_200000764500 [0,1,1,0,0,0|1,0,1]=4 1258 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1Cl 270004a_100000225617_100000758791 [0,1,1,0,0,0|1,0,1]=4 1259 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1F 270004a_100000225617_100000709178 [0,1,1,0,0,0|1,0,1]=4 1260 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Br 2230a_100000184654_100009893172 [0,1,1,0,0,0|2,0,0]=4 1261 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Br 2230a_100000731037_100000184730 [0,1,1,0,0,0|2,0,0]=4 1262 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Br 269982a_100000184654_100009893172 [0,1,1,0,0,0|2,0,0]=4 1263 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Br 269982a_100000731037_100000184730 [0,1,1,0,0,0|2,0,0]=4 1264 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Br 270004a_100000731037_100000211189 [0,1,1,0,0,0|2,0,0]=4 1265 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl 2230a_100000184507_100009893172 [0,1,1,0,0,0|2,0,0]=4 1266 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl 2230a_100000731037_100000187162 [0,1,1,0,0,0|2,0,0]=4 1267 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl 269982a_100000184507_100009893172 [0,1,1,0,0,0|2,0,0]=4 1268 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl 269982a_100000731037_100000187162 [0,1,1,0,0,0|2,0,0]=4 1269 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl 270004a_100000731037_100000210073 [0,1,1,0,0,0|2,0,0]=4 1270 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 2230a_100000731037_100000211605 [0,1,1,0,0,0|2,0,0]=4 1271 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 2230a_100000742528_100009893172 [0,1,1,0,0,0|2,0,0]=4 1272 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 269982a_100000731037_100000211605 [0,1,1,0,0,0|2,0,0]=4 1273 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 269982a_100000742528_100009893172 [0,1,1,0,0,0|2,0,0]=4 1274 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 270004a_100000731037_100000210811 [0,1,1,0,0,0|2,0,0]=4 1275 B15R1.3960 CC(CCO)N(C)Cc1ccccc1F 34a_100000742528_100009893172 [0,1,1,0,0,0|2,0,0]=4 1276 B15R1.3960 CC(CCO)N(C)Cc1ccccc1I 2230a_100000731037_100011215278 [0,1,1,0,0,0|2,0,0]=4 1277 B15R1.3960 CC(CCO)N(C)Cc1ccccc1I 269982a_100000731037_100011215278 [0,1,1,0,0,0|2,0,0]=4 1278 B15R1.3960 CC(CCO)N(C)Cc1ccccc1I 270004a_100000731037_100000010305 [0,1,1,0,0,0|2,0,0]=4 1279 B15R1.3960 CC(CCO)N(C)Cc1ccccc1O 2230a_100015189988_100009893172 [0,1,1,0,0,0|2,0,0]=4 1280 B15R1.3960 CC(CCO)N(C)Cc1ccccc1O 269982a_100015189988_100009893172 [0,1,1,0,0,0|2,0,0]=4 1281 B15R1.3960 CC(Cc1ccccc1Br)N(C)CCO 270004a_100000210263_100011350739 [0,1,1,0,0,0|0,0,0]=2 1282 B15R1.3960 CC(Cc1ccccc1Cl)N(C)CCO 270004a_100000210263_100000758791 [0,1,1,0,0,0|0,0,0]=2 1283 B15R1.3960 CC(Cc1ccccc1F)N(C)CCO 270004a_100000210263_100000709178 [0,1,1,0,0,0|0,0,0]=2 1284 B15R1.3960 CCCN(C)C(C)Cc1ccccc1Br 270004a_100000747261_100011350739 [0,1,1,0,0,0|1,0,0]=3 1285 B15R1.3960 CCCN(C)C(C)Cc1ccccc1C 270004a_100000747261_200000764500 [0,1,1,0,0,0|1,0,0]=3 1286 B15R1.3960 CCCN(C)C(C)Cc1ccccc1Cl 270004a_100000747261_100000758791 [0,1,1,0,0,0|1,0,0]=3 1287 B15R1.3960 CCCN(C)C(C)Cc1ccccc1F 270004a_100000747261_100000709178 [0,1,1,0,0,0|1,0,0]=3 1288 B15R1.3960 CCCN(C)C(C)Cc1ncccc1C 270004a_100000747261_100011823981 [0,1,1,0,0,0|2,0,0]=4 1289 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Br 240690a_100000210263_100000751119 [0,1,1,0,0,0|1,0,1]=4 1290 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Br 527a_100000210263_100000751119 [0,1,1,0,0,0|1,0,1]=4 1291 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Cl 240690a_100000210263_100000183793 [0,1,1,0,0,0|1,0,1]=4 1292 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1Cl 527a_100000210263_100000183793 [0,1,1,0,0,0|1,0,1]=4 1293 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1F 240690a_100000210263_100000212012 [0,1,1,0,0,0|1,0,1]=4 1294 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1F 527a_100000210263_100000212012 [0,1,1,0,0,0|1,0,1]=4 1295 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1I 240690a_100000210263_100000036491 [0,1,1,0,0,0|1,0,1]=4 1296 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1I 527a_100000210263_100000036491 [0,1,1,0,0,0|1,0,1]=4 1297 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1O 240690a_100000210263_100000743006 [0,1,1,0,0,0|1,0,1]=4 1298 B15R1.3960 CN(CCO)C(=O)Cc1ccccc1O 527a_100000210263_100000743006 [0,1,1,0,0,0|1,0,1]=4 1299 B15R1.3960 Cc1ccccc1CC(=O)N(C)CCO 240690a_100000210263_100000212180 [0,1,1,0,0,0|1,0,1]=4 1300 B15R1.3960 Cc1ccccc1CC(=O)N(C)CCO 527a_100000210263_100000212180 [0,1,1,0,0,0|1,0,1]=4 1301 B15R1.3960 Cc1ccccc1CC(C)N(C)CCO 270004a_100000210263_200000764500 [0,1,1,0,0,0|0,0,0]=2 1302 B15R1.3960 Cc1ccccc1CN(C)C(C)CCO 2230a_100000184421_100009893172 [0,1,1,0,0,0|2,0,0]=4 1303 B15R1.3960 Cc1ccccc1CN(C)C(C)CCO 2230a_100000731037_100000211839 [0,1,1,0,0,0|2,0,0]=4 1304 B15R1.3960 Cc1ccccc1CN(C)C(C)CCO 269982a_100000184421_100009893172 [0,1,1,0,0,0|2,0,0]=4 1305 B15R1.3960 Cc1ccccc1CN(C)C(C)CCO 269982a_100000731037_100000211839 [0,1,1,0,0,0|2,0,0]=4 1306 B15R1.3960 Cc1ccccc1CN(C)C(C)CCO 270004a_100000731037_100000211143 [0,1,1,0,0,0|2,0,0]=4 1307 B15R1.3960 Cc1cccnc1CC(C)N(C)CCO 270004a_100000210263_100011823981 [0,1,1,0,0,0|1,0,0]=3 1308 B15R1.10540 CC(C)(Cc1ccccc1)C(=O)CCO 1458a_100000757416_100000211926 [0,1,1,0,0,0|2,0,0]=4 1309 B15R1.10540 CN(CCO)C(F)(F)Oc1ccccc1 269982a_100000210263_200000057402 [0,1,1,0,0,0|2,0,0]=4 1310 B15R1.10540 CN(CCO)S(=O)(=O)Cc1ccccc1 270084a_100000210263_100000211737 [0,1,1,0,0,0|2,0,0]=4 1311 B15R1.10540 CN(CCO)S(=O)(=O)Cc1ccccc1 274078a_100000210263_100000211737 [0,1,1,0,0,0|2,0,0]=4 1312 B15R1.10540 CN(CCO)S(=O)(=O)Cc1ccccc1 40a_100000210263_100000235865 [0,1,1,0,0,0|2,0,0]=4 1313 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)Br 240690a_100000225621_100000756554 [0,1,1,0,0,0|1,0,1]=4 1314 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)F 240690a_100000225621_100000209909 [0,1,1,0,0,0|1,0,1]=4 1315 B15R1.75 CCN(C)C(=O)C(O)c1ccc(cc1)O 240690a_100000225621_100011215213 [0,1,1,0,0,0|1,0,1]=4 1316 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)C 240690a_100000225621_100009815954 [0,1,1,0,0,0|1,0,1]=4 1317 B15R1.75 CCN(C)C(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100000225621_100009817493 [0,1,1,0,0,0|1,0,1]=4 1318 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)Br 2230a_100000225621_100000184162 [0,1,1,0,0,0|0,0,2]=4 1319 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)Br 269982a_100000225621_100000184162 [0,1,1,0,0,0|0,0,2]=4 1320 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)C 2230a_100000225621_100000726416 [0,1,1,0,0,0|0,0,2]=4 1321 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)C 269982a_100000225621_100000726416 [0,1,1,0,0,0|0,0,2]=4 1322 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)Cl 2230a_100000225621_100000183210 [0,1,1,0,0,0|0,0,2]=4 1323 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)Cl 269982a_100000225621_100000183210 [0,1,1,0,0,0|0,0,2]=4 1324 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)F 2230a_100000225621_100000229918 [0,1,1,0,0,0|0,0,2]=4 1325 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)F 269982a_100000225621_100000229918 [0,1,1,0,0,0|0,0,2]=4 1326 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)O 2230a_100000225621_200010205864 [0,1,1,0,0,0|0,0,2]=4 1327 B15R1.75 CCN(C)C(C)C(=O)c1ccc(cc1)O 269982a_100000225621_200010205864 [0,1,1,0,0,0|0,0,2]=4 1328 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)C 240690a_100000225621_100011434945 [0,1,1,0,0,0|1,0,1]=4 1329 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)Cl 240690a_100000225621_100011216955 [0,1,1,0,0,0|1,0,1]=4 1330 B15R1.76 CCN(C)C(=O)C(O)c1cccc(c1)F 240690a_100000225621_100011434943 [0,1,1,0,0,0|1,0,1]=4 1331 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)Br 2230a_100000225621_100012349134 [0,1,1,0,0,0|0,0,2]=4 1332 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)Br 269982a_100000225621_100012349134 [0,1,1,0,0,0|0,0,2]=4 1333 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)Cl 2230a_100000225621_100000184413 [0,1,1,0,0,0|0,0,2]=4 1334 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)Cl 269982a_100000225621_100000184413 [0,1,1,0,0,0|0,0,2]=4 1335 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)F 2230a_100000225621_100012356231 [0,1,1,0,0,0|0,0,2]=4 1336 B15R1.76 CCN(C)C(C)C(=O)c1cccc(c1)F 269982a_100000225621_100012356231 [0,1,1,0,0,0|0,0,2]=4 1337 B15R1.502 CC(C)N(C)C(=O)[C@H](O)c1ccccc1 240690a_200000211004_100000684486 [0,1,1,0,0,0|1,0,1]=4 1338 B15R1.502 CC(C)N(C)C(C)C(=O)c1ccccc1 269982a_200000211004_100000239700 [0,1,1,0,0,0|0,0,2]=4 1339 B15R1.646 CCN(CC)C(=O)[C@H](O)c1ccccc1 240690a_100000724800_100000684486 [0,1,1,0,0,0|1,0,1]=4 1340 B15R1.646 CCN(CC)C(C)C(=O)c1ccccc1 2230a_100000724800_100000239700 [0,1,1,0,0,0|0,0,2]=4 1341 B15R1.646 CCN(CC)C(C)C(=O)c1ccccc1 269956a_100000042499_100000239700 [0,1,1,0,0,0|0,0,2]=4 1342 B15R1.646 CCN(CC)C(C)C(=O)c1ccccc1 269982a_100000724800_100000239700 [0,1,1,0,0,0|0,0,2]=4 1343 B15R1.1326 CCN(C)C(=O)[C@](C)(O)c1ccccc1 240690a_100000225621_100000753667 [0,1,1,0,0,0|1,0,1]=4 1344 B15R1.1329 CCN(C)C(=O)C(CO)c1ccccc1 240690a_100000225621_100011218805 [0,1,1,0,0,0|1,0,1]=4 1345 B15R1.1329 CCN(C)C(=O)[C@H](OC)c1ccccc1 11a_100000225621_100000698336 [0,1,1,0,0,0|1,0,1]=4 1346 B15R1.1329 CCN(C)C(=O)[C@H](OC)c1ccccc1 1626a_100000225621_100000698336 [0,1,1,0,0,0|1,0,1]=4 1347 B15R1.1329 CCN(C)C(=O)[C@H](OC)c1ccccc1 240690a_100000225621_100000698336 [0,1,1,0,0,0|1,0,1]=4 1348 B15R1.1329 CCN(C)C(=O)[C@H](OC)c1ccccc1 527a_100000225621_100000698336 [0,1,1,0,0,0|1,0,1]=4 1349 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1Br 240690a_100000225621_200011356456 [0,1,1,0,0,0|1,0,1]=4 1350 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1Cl 240690a_100000225621_100011217820 [0,1,1,0,0,0|1,0,1]=4 1351 B15R1.4434 CCN(C)C(=O)C(O)c1ccccc1F 240690a_100000225621_100011219519 [0,1,1,0,0,0|1,0,1]=4 1352 B15R1.4434 CCN(C)C(C)C(=O)c1ccccc1Cl 2230a_100000225621_100010255250 [0,1,1,0,0,0|0,0,2]=4 1353 B15R1.4434 CCN(C)C(C)C(=O)c1ccccc1Cl 269982a_100000225621_100010255250 [0,1,1,0,0,0|0,0,2]=4 1354 B15R1.11642 CCN(C)C(C)(C)C(=O)c1ccccc1 2230a_100000225621_200009813919 [0,1,1,0,0,0|0,0,2]=4 1355 B15R1.11642 CCN(C)C(C)(C)C(=O)c1ccccc1 269982a_100000225621_200009813919 [0,1,1,0,0,0|0,0,2]=4 1356 B15R1.33 C#CCCCOC(CC)c1ccccc1 34a_100000698172_100000695029 [0,1,1,0,0,0|1,0,1]=4 1357 B15R1.33 C#CCCCOC(CC)c1ccccc1 7a_100000698172_100011215417 [0,1,1,0,0,0|1,0,1]=4 1358 B15R1.33 C#CCCOCC(CC)c1ccccc1 34a_100000752371_100000688953 [0,1,1,0,0,0|1,0,1]=4 1359 B15R1.33 C#CCCOCC(CC)c1ccccc1 7a_100000752371_100000688953 [0,1,1,0,0,0|1,0,1]=4 1360 B15R1.33 C/C=C/COCC(CC)c1ccccc1 34a_100000752371_100102629194 [0,1,1,0,0,0|1,0,1]=4 1361 B15R1.33 C/C=C/COCC(CC)c1ccccc1 7a_100000752371_100102629194 [0,1,1,0,0,0|1,0,1]=4 1362 B15R1.33 C=CCCCOC(CC)c1ccccc1 34a_100000698172_100000757094 [0,1,1,0,0,0|1,0,1]=4 1363 B15R1.33 C=CCCCOC(CC)c1ccccc1 7a_100000698172_100000757094 [0,1,1,0,0,0|1,0,1]=4 1364 B15R1.33 C=CCCOCC(CC)c1ccccc1 34a_100000752371_100000754431 [0,1,1,0,0,0|1,0,1]=4 1365 B15R1.33 C=CCCOCC(CC)c1ccccc1 7a_100000752371_100000754431 [0,1,1,0,0,0|1,0,1]=4 1366 B15R1.33 C=COCCOC(CC)c1ccccc1 34a_100000698172_100000039644 [0,1,1,0,0,0|1,0,1]=4 1367 B15R1.33 C=COCCOC(CC)c1ccccc1 7a_100000698172_100000039644 [0,1,1,0,0,0|1,0,1]=4 1368 B15R1.33 CC#CCOCC(CC)c1ccccc1 34a_100000752371_100000748600 [0,1,1,0,0,0|1,0,1]=4 1369 B15R1.33 CC#CCOCC(CC)c1ccccc1 7a_100000752371_100000748600 [0,1,1,0,0,0|1,0,1]=4 1370 B15R1.33 CC/C=C\COC(CC)c1ccccc1 34a_100000698172_100103147603 [0,1,1,0,0,0|1,0,1]=4 1371 B15R1.33 CC/C=C\COC(CC)c1ccccc1 7a_100000698172_100103147603 [0,1,1,0,0,0|1,0,1]=4 1372 B15R1.33 CC=CCOCC(CC)c1ccccc1 34a_100000752371_100000070051 [0,1,1,0,0,0|1,0,1]=4 1373 B15R1.33 CC=CCOCC(CC)c1ccccc1 7a_100000752371_100000070051 [0,1,1,0,0,0|1,0,1]=4 1374 B15R1.33 CCC#CCOC(CC)c1ccccc1 34a_100000698172_100009813939 [0,1,1,0,0,0|1,0,1]=4 1375 B15R1.33 CCC#CCOC(CC)c1ccccc1 7a_100000698172_100009813939 [0,1,1,0,0,0|1,0,1]=4 1376 B15R1.33 CCC(CNCCOC)c1ccccc1 270004a_100000209980_100000753018 [0,1,1,0,0,0|2,0,0]=4 1377 B15R1.33 CCC(CNCCSC)c1ccccc1 270004a_100020590264_100000753018 [0,1,1,0,0,0|2,0,0]=4 1378 B15R1.33 CCC(COCCC#N)c1ccccc1 7a_100000752371_100000184422 [0,1,1,0,0,0|2,0,0]=4 1379 B15R1.33 CCC(COCCCF)c1ccccc1 34a_100000752371_100011934791 [0,1,1,0,0,0|2,0,0]=4 1380 B15R1.33 CCC(COCCCF)c1ccccc1 7a_100000752371_100011934791 [0,1,1,0,0,0|2,0,0]=4 1381 B15R1.33 CCC(COCCCO)c1ccccc1 34a_100000752371_100000230001 [0,1,1,0,0,0|2,0,0]=4 1382 B15R1.33 CCC(COCCCO)c1ccccc1 7a_100000752371_100011215043 [0,1,1,0,0,0|2,0,0]=4 1383 B15R1.33 CCC(COCCOC)c1ccccc1 34a_100000752371_100011201679 [0,1,1,0,0,0|1,0,0]=3 1384 B15R1.33 CCC(COCCOC)c1ccccc1 7a_100000752371_100000233755 [0,1,1,0,0,0|1,0,0]=3 1385 B15R1.33 CCC(COCCSC)c1ccccc1 34a_100000752371_100000212216 [0,1,1,0,0,0|1,0,0]=3 1386 B15R1.33 CCC(COCCSC)c1ccccc1 7a_100000752371_100000212216 [0,1,1,0,0,0|1,0,0]=3 1387 B15R1.33 CCC(NCCCCF)c1ccccc1 2230a_100000737752_100000729493 [0,1,1,0,0,0|2,0,0]=4 1388 B15R1.33 CCC(NCCCCO)c1ccccc1 2230a_100000737752_100000210776 [0,1,1,0,0,0|2,0,0]=4 1389 B15R1.33 CCC(NCCCCO)c1ccccc1 269862a_100000750430_100000210124 [0,1,1,0,0,0|2,0,0]=4 1390 B15R1.33 CCC(NCCCOC)c1ccccc1 2230a_100000737752_100000740836 [0,1,1,0,0,0|2,0,0]=4 1391 B15R1.33 CCC(NCCCOC)c1ccccc1 269862a_100150723488_100000210124 [0,1,1,0,0,0|2,0,0]=4 1392 B15R1.33 CCC(NCCCSC)c1ccccc1 269862a_100000749238_100000210124 [0,1,1,0,0,0|2,0,0]=4 1393 B15R1.33 CCC(OCC#CCO)c1ccccc1 34a_100000698172_200000047223 [0,1,1,0,0,0|1,0,1]=4 1394 B15R1.33 CCC(OCC#CCO)c1ccccc1 7a_100000698172_200000047223 [0,1,1,0,0,0|1,0,1]=4 1395 B15R1.33 CCC(OCCCC#N)c1ccccc1 7a_100000698172_100000687738 [0,1,1,0,0,0|1,0,1]=4 1396 B15R1.33 CCC(OCCCC=O)c1ccccc1 7a_100000698172_200011292268 [0,1,1,0,0,0|1,0,1]=4 1397 B15R1.33 CCC(OCCCCF)c1ccccc1 34a_100000698172_100000729493 [0,1,1,0,0,0|1,0,0]=3 1398 B15R1.33 CCC(OCCCCF)c1ccccc1 7a_100000698172_100000729493 [0,1,1,0,0,0|1,0,0]=3 1399 B15R1.33 CCC(OCCCCO)c1ccccc1 34a_100000698172_100011216708 [0,1,1,0,0,0|1,0,0]=3 1400 B15R1.33 CCC(OCCCCO)c1ccccc1 7a_100000698172_100000210776 [0,1,1,0,0,0|1,0,0]=3 1401 B15R1.33 CCC(OCCCOC)c1ccccc1 34a_100000698172_100000740836 [0,1,1,0,0,0|1,0,0]=3 1402 B15R1.33 CCC(OCCCOC)c1ccccc1 7a_100000698172_100000740836 [0,1,1,0,0,0|1,0,0]=3 1403 B15R1.33 CCCCCNC(CC)c1ccccc1 2230a_100000737752_100000210326 [0,1,1,0,0,0|2,0,0]=4 1404 B15R1.33 CCCCCNC(CC)c1ccccc1 269862a_100000209983_100000210124 [0,1,1,0,0,0|2,0,0]=4 1405 B15R1.33 CCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210326 [0,1,1,0,0,0|2,0,0]=4 1406 B15R1.33 CCCCCOC(CC)c1ccccc1 34a_100000698172_100000718602 [0,1,1,0,0,0|1,0,0]=3 1407 B15R1.33 CCCCCOC(CC)c1ccccc1 7a_100000698172_100000210326 [0,1,1,0,0,0|1,0,0]=3 1408 B15R1.33 CCCCCOC(CN)c1ccccc1 34a_100000210709_100000718602 [0,1,1,0,0,0|2,0,0]=4 1409 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000718602 [0,1,1,0,0,0|2,0,0]=4 1410 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210326 [0,1,1,0,0,0|2,0,0]=4 1411 B15R1.33 CCCCNCC(CC)c1ccccc1 270004a_100000102301_100000753018 [0,1,1,0,0,0|2,0,0]=4 1412 B15R1.33 CCCCOCC(CC)c1ccccc1 34a_100000752371_100000210210 [0,1,1,0,0,0|1,0,0]=3 1413 B15R1.33 CCCCOCC(CC)c1ccccc1 7a_100000752371_100000210211 [0,1,1,0,0,0|1,0,0]=3 1414 B15R1.33 CCCCOCC(OC)c1ccccc1 34a_100011215540_100000210210 [0,1,1,0,0,0|2,0,0]=4 1415 B15R1.33 CCCCOCC(OC)c1ccccc1 7a_100011215540_100000210211 [0,1,1,0,0,0|2,0,0]=4 1416 B15R1.33 CCCCOCN(CC)c1ccccc1 2230a_100000210013_100011995733 [0,1,1,0,0,0|2,0,0]=4 1417 B15R1.33 CCCCOCN(CC)c1ccccc1 269982a_100000210013_100011995733 [0,1,1,0,0,0|2,0,0]=4 1418 B15R1.33 CCCCOCN(CC)c1ccccc1 34a_100000210013_100011995733 [0,1,1,0,0,0|2,0,0]=4 1419 B15R1.33 CCN(COCCOC)c1ccccc1 2230a_100000210013_100000231047 [0,1,1,0,0,0|2,0,0]=4 1420 B15R1.33 CCN(COCCOC)c1ccccc1 269982a_100000210013_100000231047 [0,1,1,0,0,0|2,0,0]=4 1421 B15R1.33 CCOCCNC(CC)c1ccccc1 2230a_100000737752_100011215890 [0,1,1,0,0,0|2,0,0]=4 1422 B15R1.33 CCOCCNC(CC)c1ccccc1 269862a_100011200944_100000210124 [0,1,1,0,0,0|2,0,0]=4 1423 B15R1.33 CCOCCOC(CBr)c1ccccc1 7a_100000185958_100011215890 [0,1,1,0,0,0|2,0,0]=4 1424 B15R1.33 CCOCCOC(CC)c1ccccc1 34a_100000698172_100000210147 [0,1,1,0,0,0|1,0,0]=3 1425 B15R1.33 CCOCCOC(CC)c1ccccc1 7a_100000698172_100011215890 [0,1,1,0,0,0|1,0,0]=3 1426 B15R1.33 CCOCCOC(CN)c1ccccc1 34a_100000210709_100000210147 [0,1,1,0,0,0|2,0,0]=4 1427 B15R1.33 CCOCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210147 [0,1,1,0,0,0|2,0,0]=4 1428 B15R1.33 CCOCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215890 [0,1,1,0,0,0|2,0,0]=4 1429 B15R1.33 CCSCCNC(CC)c1ccccc1 2230a_100000737752_100000757381 [0,1,1,0,0,0|2,0,0]=4 1430 B15R1.33 CCSCCNC(CC)c1ccccc1 269862a_100000106463_100000210124 [0,1,1,0,0,0|2,0,0]=4 1431 B15R1.33 CCSCCOC(CBr)c1ccccc1 7a_100000185958_100000757381 [0,1,1,0,0,0|2,0,0]=4 1432 B15R1.33 CCSCCOC(CC)c1ccccc1 34a_100000698172_100000757381 [0,1,1,0,0,0|1,0,0]=3 1433 B15R1.33 CCSCCOC(CC)c1ccccc1 7a_100000698172_100000757381 [0,1,1,0,0,0|1,0,0]=3 1434 B15R1.33 CCSCCOC(CN)c1ccccc1 34a_100000210709_100000757381 [0,1,1,0,0,0|2,0,0]=4 1435 B15R1.33 CCSCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000757381 [0,1,1,0,0,0|2,0,0]=4 1436 B15R1.33 CCSCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000757381 [0,1,1,0,0,0|2,0,0]=4 1437 B15R1.33 COC(COCCSC)c1ccccc1 34a_100011215540_100000212216 [0,1,1,0,0,0|2,0,0]=4 1438 B15R1.33 COC(COCCSC)c1ccccc1 7a_100011215540_100000212216 [0,1,1,0,0,0|2,0,0]=4 1439 B15R1.33 COCCCOC(CBr)c1ccccc1 7a_100000185958_100000740836 [0,1,1,0,0,0|2,0,0]=4 1440 B15R1.33 COCCCOC(CN)c1ccccc1 34a_100000210709_100000740836 [0,1,1,0,0,0|2,0,0]=4 1441 B15R1.33 COCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000740836 [0,1,1,0,0,0|2,0,0]=4 1442 B15R1.33 COCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000740836 [0,1,1,0,0,0|2,0,0]=4 1443 B15R1.33 COCCOCC(OC)c1ccccc1 34a_100011215540_100011201679 [0,1,1,0,0,0|2,0,0]=4 1444 B15R1.33 COCCOCC(OC)c1ccccc1 7a_100011215540_100000233755 [0,1,1,0,0,0|2,0,0]=4 1445 B15R1.33 FCCCCOC(CBr)c1ccccc1 7a_100000185958_100000729493 [0,1,1,0,0,0|2,0,0]=4 1446 B15R1.33 FCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000729493 [0,1,1,0,0,0|2,0,0]=4 1447 B15R1.33 FCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000729493 [0,1,1,0,0,0|2,0,0]=4 1448 B15R1.33 NCC(OCCCCF)c1ccccc1 34a_100000210709_100000729493 [0,1,1,0,0,0|2,0,0]=4 1449 B15R1.33 NCC(OCCCCO)c1ccccc1 34a_100000210709_100011216708 [0,1,1,0,0,0|2,0,0]=4 1450 B15R1.33 OCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210776 [0,1,1,0,0,0|2,0,0]=4 1451 B15R1.33 OCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011216708 [0,1,1,0,0,0|2,0,0]=4 1452 B15R1.33 OCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210776 [0,1,1,0,0,0|2,0,0]=4 1453 B15R1.101 C#CCCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000688953 [0,1,1,0,0,0|1,0,1]=4 1454 B15R1.101 C#CCCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000688953 [0,1,1,0,0,0|1,0,1]=4 1455 B15R1.101 C#CCCOC(CC)c1ccc(cc1)C 34a_100000246521_100000688953 [0,1,1,0,0,0|1,0,1]=4 1456 B15R1.101 C#CCCOC(CC)c1ccc(cc1)C 7a_100000246521_100000688953 [0,1,1,0,0,0|1,0,1]=4 1457 B15R1.101 C#CCCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000688953 [0,1,1,0,0,0|1,0,1]=4 1458 B15R1.101 C#CCCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000688953 [0,1,1,0,0,0|1,0,1]=4 1459 B15R1.101 C#CCCOC(CC)c1ccc(cc1)F 34a_100000246474_100000688953 [0,1,1,0,0,0|1,0,1]=4 1460 B15R1.101 C#CCCOC(CC)c1ccc(cc1)F 7a_100000246474_100000688953 [0,1,1,0,0,0|1,0,1]=4 1461 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)Br 34a_100000246506_100102629194 [0,1,1,0,0,0|1,0,1]=4 1462 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)Br 7a_100000246506_100102629194 [0,1,1,0,0,0|1,0,1]=4 1463 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)C 34a_100000246521_100102629194 [0,1,1,0,0,0|1,0,1]=4 1464 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)C 7a_100000246521_100102629194 [0,1,1,0,0,0|1,0,1]=4 1465 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)Cl 34a_100000246471_100102629194 [0,1,1,0,0,0|1,0,1]=4 1466 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)Cl 7a_100000246471_100102629194 [0,1,1,0,0,0|1,0,1]=4 1467 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)F 34a_100000246474_100102629194 [0,1,1,0,0,0|1,0,1]=4 1468 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)F 7a_100000246474_100102629194 [0,1,1,0,0,0|1,0,1]=4 1469 B15R1.101 C=CCCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000754431 [0,1,1,0,0,0|1,0,1]=4 1470 B15R1.101 C=CCCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000754431 [0,1,1,0,0,0|1,0,1]=4 1471 B15R1.101 C=CCCOC(CC)c1ccc(cc1)C 34a_100000246521_100000754431 [0,1,1,0,0,0|1,0,1]=4 1472 B15R1.101 C=CCCOC(CC)c1ccc(cc1)C 7a_100000246521_100000754431 [0,1,1,0,0,0|1,0,1]=4 1473 B15R1.101 C=CCCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000754431 [0,1,1,0,0,0|1,0,1]=4 1474 B15R1.101 C=CCCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000754431 [0,1,1,0,0,0|1,0,1]=4 1475 B15R1.101 C=CCCOC(CC)c1ccc(cc1)F 34a_100000246474_100000754431 [0,1,1,0,0,0|1,0,1]=4 1476 B15R1.101 C=CCCOC(CC)c1ccc(cc1)F 7a_100000246474_100000754431 [0,1,1,0,0,0|1,0,1]=4 1477 B15R1.101 CC#CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000748600 [0,1,1,0,0,0|1,0,1]=4 1478 B15R1.101 CC#CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000748600 [0,1,1,0,0,0|1,0,1]=4 1479 B15R1.101 CC#CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000748600 [0,1,1,0,0,0|1,0,1]=4 1480 B15R1.101 CC#CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000748600 [0,1,1,0,0,0|1,0,1]=4 1481 B15R1.101 CC#CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000748600 [0,1,1,0,0,0|1,0,1]=4 1482 B15R1.101 CC#CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000748600 [0,1,1,0,0,0|1,0,1]=4 1483 B15R1.101 CC#CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000748600 [0,1,1,0,0,0|1,0,1]=4 1484 B15R1.101 CC#CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000748600 [0,1,1,0,0,0|1,0,1]=4 1485 B15R1.101 CC=CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000070051 [0,1,1,0,0,0|1,0,1]=4 1486 B15R1.101 CC=CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000070051 [0,1,1,0,0,0|1,0,1]=4 1487 B15R1.101 CC=CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000070051 [0,1,1,0,0,0|1,0,1]=4 1488 B15R1.101 CC=CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000070051 [0,1,1,0,0,0|1,0,1]=4 1489 B15R1.101 CC=CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000070051 [0,1,1,0,0,0|1,0,1]=4 1490 B15R1.101 CC=CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000070051 [0,1,1,0,0,0|1,0,1]=4 1491 B15R1.101 CC=CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000070051 [0,1,1,0,0,0|1,0,1]=4 1492 B15R1.101 CC=CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000070051 [0,1,1,0,0,0|1,0,1]=4 1493 B15R1.101 CCC(NCCOC)c1ccc(cc1)Br 269862a_100000209980_100000211647 [0,1,1,0,0,0|2,0,0]=4 1494 B15R1.101 CCC(NCCOC)c1ccc(cc1)C 2230a_100000749201_100011201679 [0,1,1,0,0,0|2,0,0]=4 1495 B15R1.101 CCC(NCCOC)c1ccc(cc1)C 269862a_100000209980_100000185863 [0,1,1,0,0,0|2,0,0]=4 1496 B15R1.101 CCC(NCCOC)c1ccc(cc1)C 34a_100000749201_100011201679 [0,1,1,0,0,0|2,0,0]=4 1497 B15R1.101 CCC(NCCOC)c1ccc(cc1)Cl 269862a_100000209980_100000210983 [0,1,1,0,0,0|2,0,0]=4 1498 B15R1.101 CCC(NCCOC)c1ccc(cc1)F 2230a_100011191751_100011201679 [0,1,1,0,0,0|2,0,0]=4 1499 B15R1.101 CCC(NCCOC)c1ccc(cc1)F 269862a_100000209980_100000211089 [0,1,1,0,0,0|2,0,0]=4 1500 B15R1.101 CCC(NCCOC)c1ccc(cc1)F 34a_100011191751_100011201679 [0,1,1,0,0,0|2,0,0]=4 1501 B15R1.101 CCC(NCCOC)c1ccc(cc1)I 269862a_100000209980_100000763097 [0,1,1,0,0,0|2,0,0]=4 1502 B15R1.101 CCC(NCCOC)c1ccc(cc1)O 34a_100015187210_100011201679 [0,1,1,0,0,0|2,0,0]=4 1503 B15R1.101 CCC(NCCSC)c1ccc(cc1)Br 269862a_100020590264_100000211647 [0,1,1,0,0,0|2,0,0]=4 1504 B15R1.101 CCC(NCCSC)c1ccc(cc1)C 2230a_100000749201_100000751147 [0,1,1,0,0,0|2,0,0]=4 1505 B15R1.101 CCC(NCCSC)c1ccc(cc1)C 269862a_100020590264_100000185863 [0,1,1,0,0,0|2,0,0]=4 1506 B15R1.101 CCC(NCCSC)c1ccc(cc1)C 34a_100000749201_100000212216 [0,1,1,0,0,0|2,0,0]=4 1507 B15R1.101 CCC(NCCSC)c1ccc(cc1)Cl 269862a_100020590264_100000210983 [0,1,1,0,0,0|2,0,0]=4 1508 B15R1.101 CCC(NCCSC)c1ccc(cc1)F 2230a_100011191751_100000751147 [0,1,1,0,0,0|2,0,0]=4 1509 B15R1.101 CCC(NCCSC)c1ccc(cc1)F 269862a_100020590264_100000211089 [0,1,1,0,0,0|2,0,0]=4 1510 B15R1.101 CCC(NCCSC)c1ccc(cc1)F 34a_100011191751_100000212216 [0,1,1,0,0,0|2,0,0]=4 1511 B15R1.101 CCC(NCCSC)c1ccc(cc1)I 269862a_100020590264_100000763097 [0,1,1,0,0,0|2,0,0]=4 1512 B15R1.101 CCC(NCCSC)c1ccc(cc1)O 34a_100015187210_100000212216 [0,1,1,0,0,0|2,0,0]=4 1513 B15R1.101 CCC(OCCC#N)c1ccc(cc1)Br 7a_100000246506_100000184422 [0,1,1,0,0,0|2,0,0]=4 1514 B15R1.101 CCC(OCCC#N)c1ccc(cc1)C 7a_100000246521_100000184422 [0,1,1,0,0,0|2,0,0]=4 1515 B15R1.101 CCC(OCCC#N)c1ccc(cc1)Cl 7a_100000246471_100000184422 [0,1,1,0,0,0|2,0,0]=4 1516 B15R1.101 CCC(OCCC#N)c1ccc(cc1)F 7a_100000246474_100000184422 [0,1,1,0,0,0|2,0,0]=4 1517 B15R1.101 CCC(OCCCF)c1ccc(cc1)Br 34a_100000246506_100011934791 [0,1,1,0,0,0|2,0,0]=4 1518 B15R1.101 CCC(OCCCF)c1ccc(cc1)Br 7a_100000246506_100011934791 [0,1,1,0,0,0|2,0,0]=4 1519 B15R1.101 CCC(OCCCF)c1ccc(cc1)C 34a_100000246521_100011934791 [0,1,1,0,0,0|2,0,0]=4 1520 B15R1.101 CCC(OCCCF)c1ccc(cc1)C 7a_100000246521_100011934791 [0,1,1,0,0,0|2,0,0]=4 1521 B15R1.101 CCC(OCCCF)c1ccc(cc1)Cl 34a_100000246471_100011934791 [0,1,1,0,0,0|2,0,0]=4 1522 B15R1.101 CCC(OCCCF)c1ccc(cc1)Cl 7a_100000246471_100011934791 [0,1,1,0,0,0|2,0,0]=4 1523 B15R1.101 CCC(OCCCF)c1ccc(cc1)F 34a_100000246474_100011934791 [0,1,1,0,0,0|2,0,0]=4 1524 B15R1.101 CCC(OCCCF)c1ccc(cc1)F 7a_100000246474_100011934791 [0,1,1,0,0,0|2,0,0]=4 1525 B15R1.101 CCC(OCCCO)c1ccc(cc1)Br 34a_100000246506_100000230001 [0,1,1,0,0,0|2,0,0]=4 1526 B15R1.101 CCC(OCCCO)c1ccc(cc1)Br 7a_100000246506_100011215043 [0,1,1,0,0,0|2,0,0]=4 1527 B15R1.101 CCC(OCCCO)c1ccc(cc1)C 34a_100000246521_100000230001 [0,1,1,0,0,0|2,0,0]=4 1528 B15R1.101 CCC(OCCCO)c1ccc(cc1)C 7a_100000246521_100011215043 [0,1,1,0,0,0|2,0,0]=4 1529 B15R1.101 CCC(OCCCO)c1ccc(cc1)Cl 34a_100000246471_100000230001 [0,1,1,0,0,0|2,0,0]=4 1530 B15R1.101 CCC(OCCCO)c1ccc(cc1)Cl 7a_100000246471_100011215043 [0,1,1,0,0,0|2,0,0]=4 1531 B15R1.101 CCC(OCCCO)c1ccc(cc1)F 34a_100000246474_100000230001 [0,1,1,0,0,0|2,0,0]=4 1532 B15R1.101 CCC(OCCCO)c1ccc(cc1)F 7a_100000246474_100011215043 [0,1,1,0,0,0|2,0,0]=4 1533 B15R1.101 CCC(OCCOC)c1ccc(cc1)Br 34a_100000246506_100011201679 [0,1,1,0,0,0|1,0,0]=3 1534 B15R1.101 CCC(OCCOC)c1ccc(cc1)Br 7a_100000246506_100000233755 [0,1,1,0,0,0|1,0,0]=3 1535 B15R1.101 CCC(OCCOC)c1ccc(cc1)C 34a_100000246521_100011201679 [0,1,1,0,0,0|1,0,0]=3 1536 B15R1.101 CCC(OCCOC)c1ccc(cc1)C 7a_100000246521_100000233755 [0,1,1,0,0,0|1,0,0]=3 1537 B15R1.101 CCC(OCCOC)c1ccc(cc1)Cl 34a_100000246471_100011201679 [0,1,1,0,0,0|1,0,0]=3 1538 B15R1.101 CCC(OCCOC)c1ccc(cc1)Cl 7a_100000246471_100000233755 [0,1,1,0,0,0|1,0,0]=3 1539 B15R1.101 CCC(OCCOC)c1ccc(cc1)F 34a_100000246474_100011201679 [0,1,1,0,0,0|1,0,0]=3 1540 B15R1.101 CCC(OCCOC)c1ccc(cc1)F 7a_100000246474_100000233755 [0,1,1,0,0,0|1,0,0]=3 1541 B15R1.101 CCC(OCCSC)c1ccc(cc1)Br 34a_100000246506_100000212216 [0,1,1,0,0,0|1,0,0]=3 1542 B15R1.101 CCC(OCCSC)c1ccc(cc1)Br 7a_100000246506_100000212216 [0,1,1,0,0,0|1,0,0]=3 1543 B15R1.101 CCC(OCCSC)c1ccc(cc1)C 34a_100000246521_100000212216 [0,1,1,0,0,0|1,0,0]=3 1544 B15R1.101 CCC(OCCSC)c1ccc(cc1)C 7a_100000246521_100000212216 [0,1,1,0,0,0|1,0,0]=3 1545 B15R1.101 CCC(OCCSC)c1ccc(cc1)Cl 34a_100000246471_100000212216 [0,1,1,0,0,0|1,0,0]=3 1546 B15R1.101 CCC(OCCSC)c1ccc(cc1)Cl 7a_100000246471_100000212216 [0,1,1,0,0,0|1,0,0]=3 1547 B15R1.101 CCC(OCCSC)c1ccc(cc1)F 34a_100000246474_100000212216 [0,1,1,0,0,0|1,0,0]=3 1548 B15R1.101 CCC(OCCSC)c1ccc(cc1)F 7a_100000246474_100000212216 [0,1,1,0,0,0|1,0,0]=3 1549 B15R1.101 CCCCNC(CC)c1ccc(cc1)Br 269862a_100000102301_100000211647 [0,1,1,0,0,0|2,0,0]=4 1550 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210211 [0,1,1,0,0,0|2,0,0]=4 1551 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 269862a_100000102301_100000185863 [0,1,1,0,0,0|2,0,0]=4 1552 B15R1.101 CCCCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210210 [0,1,1,0,0,0|2,0,0]=4 1553 B15R1.101 CCCCNC(CC)c1ccc(cc1)Cl 269862a_100000102301_100000210983 [0,1,1,0,0,0|2,0,0]=4 1554 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210211 [0,1,1,0,0,0|2,0,0]=4 1555 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 269862a_100000102301_100000211089 [0,1,1,0,0,0|2,0,0]=4 1556 B15R1.101 CCCCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210210 [0,1,1,0,0,0|2,0,0]=4 1557 B15R1.101 CCCCNC(CC)c1ccc(cc1)I 269862a_100000102301_100000763097 [0,1,1,0,0,0|2,0,0]=4 1558 B15R1.101 CCCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210210 [0,1,1,0,0,0|2,0,0]=4 1559 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210211 [0,1,1,0,0,0|2,0,0]=4 1560 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210210 [0,1,1,0,0,0|2,0,0]=4 1561 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210211 [0,1,1,0,0,0|2,0,0]=4 1562 B15R1.101 CCCCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210210 [0,1,1,0,0,0|2,0,0]=4 1563 B15R1.101 CCCCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210210 [0,1,1,0,0,0|1,0,0]=3 1564 B15R1.101 CCCCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210211 [0,1,1,0,0,0|1,0,0]=3 1565 B15R1.101 CCCCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210210 [0,1,1,0,0,0|1,0,0]=3 1566 B15R1.101 CCCCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210211 [0,1,1,0,0,0|1,0,0]=3 1567 B15R1.101 CCCCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210210 [0,1,1,0,0,0|1,0,0]=3 1568 B15R1.101 CCCCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210211 [0,1,1,0,0,0|1,0,0]=3 1569 B15R1.101 CCCCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210210 [0,1,1,0,0,0|1,0,0]=3 1570 B15R1.101 CCCCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210211 [0,1,1,0,0,0|1,0,0]=3 1571 B15R1.101 CCCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210210 [0,1,1,0,0,0|2,0,0]=4 1572 B15R1.101 CCCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210211 [0,1,1,0,0,0|2,0,0]=4 1573 B15R1.101 CCCCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210210 [0,1,1,0,0,0|2,0,0]=4 1574 B15R1.101 CCCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210210 [0,1,1,0,0,0|2,0,0]=4 1575 B15R1.101 CCCCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210210 [0,1,1,0,0,0|2,0,0]=4 1576 B15R1.101 CCCCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210211 [0,1,1,0,0,0|2,0,0]=4 1577 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)Br 2230a_100025736560_100011201679 [0,1,1,0,0,0|2,0,0]=4 1578 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)Br 34a_100025736560_100011201679 [0,1,1,0,0,0|2,0,0]=4 1579 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)Cl 2230a_100015186824_100011201679 [0,1,1,0,0,0|2,0,0]=4 1580 B15R1.101 CC[C@H](NCCOC)c1ccc(cc1)Cl 34a_100015186824_100011201679 [0,1,1,0,0,0|2,0,0]=4 1581 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)Br 2230a_100025736560_100000751147 [0,1,1,0,0,0|2,0,0]=4 1582 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)Br 34a_100025736560_100000212216 [0,1,1,0,0,0|2,0,0]=4 1583 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)Cl 2230a_100015186824_100000751147 [0,1,1,0,0,0|2,0,0]=4 1584 B15R1.101 CC[C@H](NCCSC)c1ccc(cc1)Cl 34a_100015186824_100000212216 [0,1,1,0,0,0|2,0,0]=4 1585 B15R1.101 COCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100011201679 [0,1,1,0,0,0|2,0,0]=4 1586 B15R1.101 COCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000233755 [0,1,1,0,0,0|2,0,0]=4 1587 B15R1.101 COCCOC(CN)c1ccc(cc1)Br 34a_100020626992_100011201679 [0,1,1,0,0,0|2,0,0]=4 1588 B15R1.101 COCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100011201679 [0,1,1,0,0,0|2,0,0]=4 1589 B15R1.101 COCCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100011201679 [0,1,1,0,0,0|2,0,0]=4 1590 B15R1.101 COCCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000233755 [0,1,1,0,0,0|2,0,0]=4 1591 B15R1.101 CSCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000212216 [0,1,1,0,0,0|2,0,0]=4 1592 B15R1.101 CSCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000212216 [0,1,1,0,0,0|2,0,0]=4 1593 B15R1.101 CSCCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000212216 [0,1,1,0,0,0|2,0,0]=4 1594 B15R1.101 CSCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000212216 [0,1,1,0,0,0|2,0,0]=4 1595 B15R1.101 CSCCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000212216 [0,1,1,0,0,0|2,0,0]=4 1596 B15R1.101 CSCCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000212216 [0,1,1,0,0,0|2,0,0]=4 1597 B15R1.102 C#CCCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000688953 [0,1,1,0,0,0|1,0,1]=4 1598 B15R1.102 C#CCCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000688953 [0,1,1,0,0,0|1,0,1]=4 1599 B15R1.102 C#CCCOC(CC)c1cccc(c1)F 34a_100011350881_100000688953 [0,1,1,0,0,0|1,0,1]=4 1600 B15R1.102 C#CCCOC(CC)c1cccc(c1)F 7a_100011350881_100000688953 [0,1,1,0,0,0|1,0,1]=4 1601 B15R1.102 C#CCCOC(CC)c1cccc(c1)I 34a_200013212081_100000688953 [0,1,1,0,0,0|1,0,1]=4 1602 B15R1.102 C#CCCOC(CC)c1cccc(c1)I 7a_200013212081_100000688953 [0,1,1,0,0,0|1,0,1]=4 1603 B15R1.102 C/C=C/COC(CC)c1cccc(c1)Cl 34a_100000766619_100102629194 [0,1,1,0,0,0|1,0,1]=4 1604 B15R1.102 C/C=C/COC(CC)c1cccc(c1)Cl 7a_100000766619_100102629194 [0,1,1,0,0,0|1,0,1]=4 1605 B15R1.102 C/C=C/COC(CC)c1cccc(c1)F 34a_100011350881_100102629194 [0,1,1,0,0,0|1,0,1]=4 1606 B15R1.102 C/C=C/COC(CC)c1cccc(c1)F 7a_100011350881_100102629194 [0,1,1,0,0,0|1,0,1]=4 1607 B15R1.102 C/C=C/COC(CC)c1cccc(c1)I 34a_200013212081_100102629194 [0,1,1,0,0,0|1,0,1]=4 1608 B15R1.102 C/C=C/COC(CC)c1cccc(c1)I 7a_200013212081_100102629194 [0,1,1,0,0,0|1,0,1]=4 1609 B15R1.102 C=CCCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000754431 [0,1,1,0,0,0|1,0,1]=4 1610 B15R1.102 C=CCCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000754431 [0,1,1,0,0,0|1,0,1]=4 1611 B15R1.102 C=CCCOC(CC)c1cccc(c1)F 34a_100011350881_100000754431 [0,1,1,0,0,0|1,0,1]=4 1612 B15R1.102 C=CCCOC(CC)c1cccc(c1)F 7a_100011350881_100000754431 [0,1,1,0,0,0|1,0,1]=4 1613 B15R1.102 C=CCCOC(CC)c1cccc(c1)I 34a_200013212081_100000754431 [0,1,1,0,0,0|1,0,1]=4 1614 B15R1.102 C=CCCOC(CC)c1cccc(c1)I 7a_200013212081_100000754431 [0,1,1,0,0,0|1,0,1]=4 1615 B15R1.102 CC#CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000748600 [0,1,1,0,0,0|1,0,1]=4 1616 B15R1.102 CC#CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000748600 [0,1,1,0,0,0|1,0,1]=4 1617 B15R1.102 CC#CCOC(CC)c1cccc(c1)F 34a_100011350881_100000748600 [0,1,1,0,0,0|1,0,1]=4 1618 B15R1.102 CC#CCOC(CC)c1cccc(c1)F 7a_100011350881_100000748600 [0,1,1,0,0,0|1,0,1]=4 1619 B15R1.102 CC#CCOC(CC)c1cccc(c1)I 34a_200013212081_100000748600 [0,1,1,0,0,0|1,0,1]=4 1620 B15R1.102 CC#CCOC(CC)c1cccc(c1)I 7a_200013212081_100000748600 [0,1,1,0,0,0|1,0,1]=4 1621 B15R1.102 CC=CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000070051 [0,1,1,0,0,0|1,0,1]=4 1622 B15R1.102 CC=CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000070051 [0,1,1,0,0,0|1,0,1]=4 1623 B15R1.102 CC=CCOC(CC)c1cccc(c1)F 34a_100011350881_100000070051 [0,1,1,0,0,0|1,0,1]=4 1624 B15R1.102 CC=CCOC(CC)c1cccc(c1)F 7a_100011350881_100000070051 [0,1,1,0,0,0|1,0,1]=4 1625 B15R1.102 CC=CCOC(CC)c1cccc(c1)I 34a_200013212081_100000070051 [0,1,1,0,0,0|1,0,1]=4 1626 B15R1.102 CC=CCOC(CC)c1cccc(c1)I 7a_200013212081_100000070051 [0,1,1,0,0,0|1,0,1]=4 1627 B15R1.102 CCC(NCCOC)c1cccc(c1)Br 269862a_100000209980_100000211677 [0,1,1,0,0,0|2,0,0]=4 1628 B15R1.102 CCC(NCCOC)c1cccc(c1)C 269862a_100000209980_100000730664 [0,1,1,0,0,0|2,0,0]=4 1629 B15R1.102 CCC(NCCOC)c1cccc(c1)Cl 2230a_100000737531_100011201679 [0,1,1,0,0,0|2,0,0]=4 1630 B15R1.102 CCC(NCCOC)c1cccc(c1)Cl 269862a_100000209980_100000211052 [0,1,1,0,0,0|2,0,0]=4 1631 B15R1.102 CCC(NCCOC)c1cccc(c1)Cl 34a_100000737531_100011201679 [0,1,1,0,0,0|2,0,0]=4 1632 B15R1.102 CCC(NCCOC)c1cccc(c1)F 2230a_100159265421_100011201679 [0,1,1,0,0,0|2,0,0]=4 1633 B15R1.102 CCC(NCCOC)c1cccc(c1)F 269862a_100000209980_100000687998 [0,1,1,0,0,0|2,0,0]=4 1634 B15R1.102 CCC(NCCOC)c1cccc(c1)F 34a_100159265421_100011201679 [0,1,1,0,0,0|2,0,0]=4 1635 B15R1.102 CCC(NCCOC)c1cccc(c1)O 2230a_100159312145_100011201679 [0,1,1,0,0,0|2,0,0]=4 1636 B15R1.102 CCC(NCCOC)c1cccc(c1)O 269862a_100000209980_100011996911 [0,1,1,0,0,0|2,0,0]=4 1637 B15R1.102 CCC(NCCOC)c1cccc(c1)O 34a_100159312145_100011201679 [0,1,1,0,0,0|2,0,0]=4 1638 B15R1.102 CCC(NCCSC)c1cccc(c1)Br 269862a_100020590264_100000211677 [0,1,1,0,0,0|2,0,0]=4 1639 B15R1.102 CCC(NCCSC)c1cccc(c1)C 269862a_100020590264_100000730664 [0,1,1,0,0,0|2,0,0]=4 1640 B15R1.102 CCC(NCCSC)c1cccc(c1)Cl 2230a_100000737531_100000751147 [0,1,1,0,0,0|2,0,0]=4 1641 B15R1.102 CCC(NCCSC)c1cccc(c1)Cl 269862a_100020590264_100000211052 [0,1,1,0,0,0|2,0,0]=4 1642 B15R1.102 CCC(NCCSC)c1cccc(c1)Cl 34a_100000737531_100000212216 [0,1,1,0,0,0|2,0,0]=4 1643 B15R1.102 CCC(NCCSC)c1cccc(c1)F 2230a_100159265421_100000751147 [0,1,1,0,0,0|2,0,0]=4 1644 B15R1.102 CCC(NCCSC)c1cccc(c1)F 269862a_100020590264_100000687998 [0,1,1,0,0,0|2,0,0]=4 1645 B15R1.102 CCC(NCCSC)c1cccc(c1)F 34a_100159265421_100000212216 [0,1,1,0,0,0|2,0,0]=4 1646 B15R1.102 CCC(NCCSC)c1cccc(c1)O 2230a_100159312145_100000751147 [0,1,1,0,0,0|2,0,0]=4 1647 B15R1.102 CCC(NCCSC)c1cccc(c1)O 269862a_100020590264_100011996911 [0,1,1,0,0,0|2,0,0]=4 1648 B15R1.102 CCC(NCCSC)c1cccc(c1)O 34a_100159312145_100000212216 [0,1,1,0,0,0|2,0,0]=4 1649 B15R1.102 CCC(OCCC#N)c1cccc(c1)Cl 7a_100000766619_100000184422 [0,1,1,0,0,0|2,0,0]=4 1650 B15R1.102 CCC(OCCC#N)c1cccc(c1)F 7a_100011350881_100000184422 [0,1,1,0,0,0|2,0,0]=4 1651 B15R1.102 CCC(OCCC#N)c1cccc(c1)I 7a_200013212081_100000184422 [0,1,1,0,0,0|2,0,0]=4 1652 B15R1.102 CCC(OCCCF)c1cccc(c1)Cl 34a_100000766619_100011934791 [0,1,1,0,0,0|2,0,0]=4 1653 B15R1.102 CCC(OCCCF)c1cccc(c1)Cl 7a_100000766619_100011934791 [0,1,1,0,0,0|2,0,0]=4 1654 B15R1.102 CCC(OCCCF)c1cccc(c1)F 34a_100011350881_100011934791 [0,1,1,0,0,0|2,0,0]=4 1655 B15R1.102 CCC(OCCCF)c1cccc(c1)F 7a_100011350881_100011934791 [0,1,1,0,0,0|2,0,0]=4 1656 B15R1.102 CCC(OCCCF)c1cccc(c1)I 34a_200013212081_100011934791 [0,1,1,0,0,0|2,0,0]=4 1657 B15R1.102 CCC(OCCCF)c1cccc(c1)I 7a_200013212081_100011934791 [0,1,1,0,0,0|2,0,0]=4 1658 B15R1.102 CCC(OCCCO)c1cccc(c1)Cl 34a_100000766619_100000230001 [0,1,1,0,0,0|2,0,0]=4 1659 B15R1.102 CCC(OCCCO)c1cccc(c1)Cl 7a_100000766619_100011215043 [0,1,1,0,0,0|2,0,0]=4 1660 B15R1.102 CCC(OCCCO)c1cccc(c1)F 34a_100011350881_100000230001 [0,1,1,0,0,0|2,0,0]=4 1661 B15R1.102 CCC(OCCCO)c1cccc(c1)F 7a_100011350881_100011215043 [0,1,1,0,0,0|2,0,0]=4 1662 B15R1.102 CCC(OCCCO)c1cccc(c1)I 34a_200013212081_100000230001 [0,1,1,0,0,0|2,0,0]=4 1663 B15R1.102 CCC(OCCCO)c1cccc(c1)I 7a_200013212081_100011215043 [0,1,1,0,0,0|2,0,0]=4 1664 B15R1.102 CCC(OCCOC)c1cccc(c1)Cl 34a_100000766619_100011201679 [0,1,1,0,0,0|1,0,0]=3 1665 B15R1.102 CCC(OCCOC)c1cccc(c1)Cl 7a_100000766619_100000233755 [0,1,1,0,0,0|1,0,0]=3 1666 B15R1.102 CCC(OCCOC)c1cccc(c1)F 34a_100011350881_100011201679 [0,1,1,0,0,0|1,0,0]=3 1667 B15R1.102 CCC(OCCOC)c1cccc(c1)F 7a_100011350881_100000233755 [0,1,1,0,0,0|1,0,0]=3 1668 B15R1.102 CCC(OCCOC)c1cccc(c1)I 34a_200013212081_100011201679 [0,1,1,0,0,0|1,0,0]=3 1669 B15R1.102 CCC(OCCOC)c1cccc(c1)I 7a_200013212081_100000233755 [0,1,1,0,0,0|1,0,0]=3 1670 B15R1.102 CCC(OCCSC)c1cccc(c1)Cl 34a_100000766619_100000212216 [0,1,1,0,0,0|1,0,0]=3 1671 B15R1.102 CCC(OCCSC)c1cccc(c1)Cl 7a_100000766619_100000212216 [0,1,1,0,0,0|1,0,0]=3 1672 B15R1.102 CCC(OCCSC)c1cccc(c1)F 34a_100011350881_100000212216 [0,1,1,0,0,0|1,0,0]=3 1673 B15R1.102 CCC(OCCSC)c1cccc(c1)F 7a_100011350881_100000212216 [0,1,1,0,0,0|1,0,0]=3 1674 B15R1.102 CCC(OCCSC)c1cccc(c1)I 34a_200013212081_100000212216 [0,1,1,0,0,0|1,0,0]=3 1675 B15R1.102 CCC(OCCSC)c1cccc(c1)I 7a_200013212081_100000212216 [0,1,1,0,0,0|1,0,0]=3 1676 B15R1.102 CCCCNC(CC)c1cccc(c1)Br 269862a_100000102301_100000211677 [0,1,1,0,0,0|2,0,0]=4 1677 B15R1.102 CCCCNC(CC)c1cccc(c1)C 269862a_100000102301_100000730664 [0,1,1,0,0,0|2,0,0]=4 1678 B15R1.102 CCCCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210211 [0,1,1,0,0,0|2,0,0]=4 1679 B15R1.102 CCCCNC(CC)c1cccc(c1)Cl 269862a_100000102301_100000211052 [0,1,1,0,0,0|2,0,0]=4 1680 B15R1.102 CCCCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210210 [0,1,1,0,0,0|2,0,0]=4 1681 B15R1.102 CCCCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210211 [0,1,1,0,0,0|2,0,0]=4 1682 B15R1.102 CCCCNC(CC)c1cccc(c1)F 269862a_100000102301_100000687998 [0,1,1,0,0,0|2,0,0]=4 1683 B15R1.102 CCCCNC(CC)c1cccc(c1)F 34a_100159265421_100000210210 [0,1,1,0,0,0|2,0,0]=4 1684 B15R1.102 CCCCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210211 [0,1,1,0,0,0|2,0,0]=4 1685 B15R1.102 CCCCNC(CC)c1cccc(c1)O 269862a_100000102301_100011996911 [0,1,1,0,0,0|2,0,0]=4 1686 B15R1.102 CCCCNC(CC)c1cccc(c1)O 34a_100159312145_100000210210 [0,1,1,0,0,0|2,0,0]=4 1687 B15R1.102 CCCCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210211 [0,1,1,0,0,0|2,0,0]=4 1688 B15R1.102 CCCCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210210 [0,1,1,0,0,0|2,0,0]=4 1689 B15R1.102 CCCCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210211 [0,1,1,0,0,0|2,0,0]=4 1690 B15R1.102 CCCCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210210 [0,1,1,0,0,0|2,0,0]=4 1691 B15R1.102 CCCCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210210 [0,1,1,0,0,0|1,0,0]=3 1692 B15R1.102 CCCCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210211 [0,1,1,0,0,0|1,0,0]=3 1693 B15R1.102 CCCCOC(CC)c1cccc(c1)F 34a_100011350881_100000210210 [0,1,1,0,0,0|1,0,0]=3 1694 B15R1.102 CCCCOC(CC)c1cccc(c1)F 7a_100011350881_100000210211 [0,1,1,0,0,0|1,0,0]=3 1695 B15R1.102 CCCCOC(CC)c1cccc(c1)I 34a_200013212081_100000210210 [0,1,1,0,0,0|1,0,0]=3 1696 B15R1.102 CCCCOC(CC)c1cccc(c1)I 7a_200013212081_100000210211 [0,1,1,0,0,0|1,0,0]=3 1697 B15R1.102 CC[C@@H](NCCOC)c1cccc(c1)C 2230a_200016991486_100011201679 [0,1,1,0,0,0|2,0,0]=4 1698 B15R1.102 CC[C@@H](NCCOC)c1cccc(c1)C 34a_200016991486_100011201679 [0,1,1,0,0,0|2,0,0]=4 1699 B15R1.102 CC[C@@H](NCCSC)c1cccc(c1)C 2230a_200016991486_100000751147 [0,1,1,0,0,0|2,0,0]=4 1700 B15R1.102 CC[C@@H](NCCSC)c1cccc(c1)C 34a_200016991486_100000212216 [0,1,1,0,0,0|2,0,0]=4 1701 B15R1.102 CC[C@H](NCCOC)c1cccc(c1)Br 2230a_100102422761_100011201679 [0,1,1,0,0,0|2,0,0]=4 1702 B15R1.102 CC[C@H](NCCOC)c1cccc(c1)Br 34a_100102422761_100011201679 [0,1,1,0,0,0|2,0,0]=4 1703 B15R1.102 CC[C@H](NCCSC)c1cccc(c1)Br 2230a_100102422761_100000751147 [0,1,1,0,0,0|2,0,0]=4 1704 B15R1.102 CC[C@H](NCCSC)c1cccc(c1)Br 34a_100102422761_100000212216 [0,1,1,0,0,0|2,0,0]=4 1705 B15R1.1097 C=CC(O)COC(CC)c1ccccc1 34a_100000698172_100000730141 [0,1,1,0,0,0|1,0,1]=4 1706 B15R1.1097 C=CC(O)COC(CC)c1ccccc1 7a_100000698172_100000730141 [0,1,1,0,0,0|1,0,1]=4 1707 B15R1.1097 CCC(=O)COC(CC)c1ccccc1 7a_100000698172_100000747405 [0,1,1,0,0,0|1,0,1]=4 1708 B15R1.1097 CCC(C)CNC(CC)c1ccccc1 2230a_100000737752_100000748023 [0,1,1,0,0,0|2,0,0]=4 1709 B15R1.1097 CCC(C)CNC(CC)c1ccccc1 269862a_100020588543_100000210124 [0,1,1,0,0,0|2,0,0]=4 1710 B15R1.1097 CCC(C)CNC(CC)c1ccccc1 270004a_100000737752_100000243153 [0,1,1,0,0,0|2,0,0]=4 1711 B15R1.1097 CCC(C)COC(CBr)c1ccccc1 7a_100000185958_100000748023 [0,1,1,0,0,0|2,0,0]=4 1712 B15R1.1097 CCC(C)COC(CC)c1ccccc1 34a_100000698172_100000748023 [0,1,1,0,0,0|1,0,0]=3 1713 B15R1.1097 CCC(C)COC(CC)c1ccccc1 7a_100000698172_100000748023 [0,1,1,0,0,0|1,0,0]=3 1714 B15R1.1097 CCC(C)COC(CN)c1ccccc1 34a_100000210709_100000748023 [0,1,1,0,0,0|2,0,0]=4 1715 B15R1.1097 CCC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000748023 [0,1,1,0,0,0|2,0,0]=4 1716 B15R1.1097 CCC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000748023 [0,1,1,0,0,0|2,0,0]=4 1717 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 2230a_100000737752_100000183359 [0,1,1,0,0,0|1,0,1]=4 1718 B15R1.1097 CCC(NCC(=O)NC)c1ccccc1 269862a_100000693194_100000210124 [0,1,1,0,0,0|1,0,1]=4 1719 B15R1.1097 CCC(NC[C@@H](C)CC)c1ccccc1 2230a_100000737752_100009816398 [0,1,1,0,0,0|2,0,0]=4 1720 B15R1.1097 CCC(NC[C@@H](C)OC)c1ccccc1 269862a_100020591295_100000210124 [0,1,1,0,0,0|2,0,0]=4 1721 B15R1.1097 CCC(O)CNC(CC)c1ccccc1 2230a_100000737752_100011218378 [0,1,1,0,0,0|2,0,0]=4 1722 B15R1.1097 CCC(O)CNC(CC)c1ccccc1 269862a_100011218483_100000210124 [0,1,1,0,0,0|2,0,0]=4 1723 B15R1.1097 CCC(O)COC(CBr)c1ccccc1 7a_100000185958_100011218378 [0,1,1,0,0,0|2,0,0]=4 1724 B15R1.1097 CCC(O)COC(CC)c1ccccc1 34a_100000698172_100011218378 [0,1,1,0,0,0|1,0,0]=3 1725 B15R1.1097 CCC(O)COC(CC)c1ccccc1 7a_100000698172_100011218378 [0,1,1,0,0,0|1,0,0]=3 1726 B15R1.1097 CCC(O)COC(CN)c1ccccc1 34a_100000210709_100011218378 [0,1,1,0,0,0|2,0,0]=4 1727 B15R1.1097 CCC(O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100011218378 [0,1,1,0,0,0|2,0,0]=4 1728 B15R1.1097 CCC(O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100011218378 [0,1,1,0,0,0|2,0,0]=4 1729 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 34a_100000698172_100000183359 [0,1,1,0,0,0|0,0,1]=3 1730 B15R1.1097 CCC(OCC(=O)NC)c1ccccc1 7a_100000698172_100000183359 [0,1,1,0,0,0|0,0,1]=3 1731 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 34a_100000698172_100000747449 [0,1,1,0,0,0|1,0,1]=4 1732 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 7a_100000698172_100000747449 [0,1,1,0,0,0|1,0,1]=4 1733 B15R1.1097 CCC(OCC(O)CO)c1ccccc1 34a_100000698172_100011219619 [0,1,1,0,0,0|2,0,0]=4 1734 B15R1.1097 CCC(OCC(O)CO)c1ccccc1 7a_100000698172_100011219619 [0,1,1,0,0,0|2,0,0]=4 1735 B15R1.1097 CCC(OC[C@@H](C)CC)c1ccccc1 34a_100000698172_100009816398 [0,1,1,0,0,0|1,0,0]=3 1736 B15R1.1097 CCC(OC[C@@H](C)CC)c1ccccc1 7a_100000698172_100009816398 [0,1,1,0,0,0|1,0,0]=3 1737 B15R1.1097 CCC(OC[C@@H](C)CO)c1ccccc1 34a_100000698172_100000059175 [0,1,1,0,0,0|2,0,0]=4 1738 B15R1.1097 CCC(OC[C@@H](C)CO)c1ccccc1 7a_100000698172_100000059175 [0,1,1,0,0,0|2,0,0]=4 1739 B15R1.1097 CCC(OC[C@@H](O)CF)c1ccccc1 34a_100000698172_100015614560 [0,1,1,0,0,0|2,0,0]=4 1740 B15R1.1097 CCC(OC[C@@H](O)CF)c1ccccc1 7a_100000698172_100015614560 [0,1,1,0,0,0|2,0,0]=4 1741 B15R1.1097 CCC(OC[C@@H](O)CO)c1ccccc1 34a_100000698172_100009815848 [0,1,1,0,0,0|2,0,0]=4 1742 B15R1.1097 CCC(OC[C@@H](O)CO)c1ccccc1 7a_100000698172_100009815848 [0,1,1,0,0,0|2,0,0]=4 1743 B15R1.1097 CC[C@H](C)COC(CBr)c1ccccc1 7a_100000185958_100009816398 [0,1,1,0,0,0|2,0,0]=4 1744 B15R1.1097 CC[C@H](C)COC(CN)c1ccccc1 34a_100000210709_100009816398 [0,1,1,0,0,0|2,0,0]=4 1745 B15R1.1097 CC[C@H](C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009816398 [0,1,1,0,0,0|2,0,0]=4 1746 B15R1.1097 CC[C@H](C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100009816398 [0,1,1,0,0,0|2,0,0]=4 1747 B15R1.1097 CNC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000183359 [0,1,1,0,0,0|1,0,1]=4 1748 B15R1.1097 CNC(=O)COC(CN)c1ccccc1 34a_100000210709_100000183359 [0,1,1,0,0,0|1,0,1]=4 1749 B15R1.1097 CNC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000183359 [0,1,1,0,0,0|1,0,1]=4 1750 B15R1.1097 CNC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000183359 [0,1,1,0,0,0|1,0,1]=4 1751 B15R1.1215 CCC(C(=O)CCOC)c1ccccc1 1458a_100000211302_100000233755 [0,1,1,0,0,0|2,0,0]=4 1752 B15R1.1215 CCC(C(=O)CCSC)c1ccccc1 1458a_100000211302_100000751147 [0,1,1,0,0,0|2,0,0]=4 1753 B15R1.1215 CCC(c1ccccc1)N(C)CCOC 2230a_100000737544_100011201679 [0,1,1,0,0,0|2,0,0]=4 1754 B15R1.1215 CCC(c1ccccc1)N(C)CCOC 269982a_100000737544_100000233755 [0,1,1,0,0,0|2,0,0]=4 1755 B15R1.1215 CCC(c1ccccc1)N(C)CCSC 2230a_100000737544_100000751147 [0,1,1,0,0,0|2,0,0]=4 1756 B15R1.1215 CCC(c1ccccc1)N(C)CCSC 269982a_100000737544_100000212216 [0,1,1,0,0,0|2,0,0]=4 1757 B15R1.1215 CCCCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210211 [0,1,1,0,0,0|2,0,0]=4 1758 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210211 [0,1,1,0,0,0|2,0,0]=4 1759 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 2230a_100000756087_200000210301 [0,1,1,0,0,0|2,0,0]=4 1760 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210211 [0,1,1,0,0,0|2,0,0]=4 1761 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 269982a_100000756087_200000210301 [0,1,1,0,0,0|2,0,0]=4 1762 B15R1.1215 CCCCN([13CH3])C(CC)c1ccccc1 2230a_100000756087_200025704644 [0,1,1,0,0,0|2,0,0]=4 1763 B15R1.1215 CCCCN([13CH3])C(CC)c1ccccc1 269982a_100000756087_200025704644 [0,1,1,0,0,0|2,0,0]=4 1764 B15R1.1215 CCN(C(=O)CCNC)c1ccccc1 2230a_106832991635_200011194832 [0,1,1,0,0,0|2,0,0]=4 1765 B15R1.1215 CCN(C(=O)CCNC)c1ccccc1 7a_106832991635_200011194832 [0,1,1,0,0,0|2,0,0]=4 1766 B15R1.1257 CCC(NC(C)COC)c1ccccc1 2230a_100000737752_100000765312 [0,1,1,0,0,0|2,0,0]=4 1767 B15R1.1257 CCC(NC(C)COC)c1ccccc1 270004a_100000737752_100000749346 [0,1,1,0,0,0|2,0,0]=4 1768 B15R1.1257 CCC(NC(C)CSC)c1ccccc1 270004a_100000737752_100011216314 [0,1,1,0,0,0|2,0,0]=4 1769 B15R1.1257 CCC(N[C@H](C)COC)c1ccccc1 269862a_100000764878_100000210124 [0,1,1,0,0,0|2,0,0]=4 1770 B15R1.1257 CCC(OC(C)CC#N)c1ccccc1 7a_100000698172_100009813641 [0,1,1,0,0,0|2,0,0]=4 1771 B15R1.1257 CCC(OC(C)CCO)c1ccccc1 34a_100000698172_100009893172 [0,1,1,0,0,0|2,0,0]=4 1772 B15R1.1257 CCC(OC(C)CCO)c1ccccc1 7a_100000698172_100009893172 [0,1,1,0,0,0|2,0,0]=4 1773 B15R1.1257 CCC(OC(C)COC)c1ccccc1 34a_100000698172_100000765312 [0,1,1,0,0,0|1,0,0]=3 1774 B15R1.1257 CCC(OC(C)COC)c1ccccc1 7a_100000698172_100000765312 [0,1,1,0,0,0|1,0,0]=3 1775 B15R1.1257 CCCC(C)NC(CC)c1ccccc1 2230a_100000737752_100000766640 [0,1,1,0,0,0|2,0,0]=4 1776 B15R1.1257 CCCC(C)NC(CC)c1ccccc1 269862a_100000741246_100000210124 [0,1,1,0,0,0|2,0,0]=4 1777 B15R1.1257 CCCC(C)NC(CC)c1ccccc1 270004a_100000737752_100000211909 [0,1,1,0,0,0|2,0,0]=4 1778 B15R1.1257 CCCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000766640 [0,1,1,0,0,0|2,0,0]=4 1779 B15R1.1257 CCCC(C)OC(CC)c1ccccc1 34a_100000698172_100000766640 [0,1,1,0,0,0|1,0,0]=3 1780 B15R1.1257 CCCC(C)OC(CC)c1ccccc1 7a_100000698172_100000766640 [0,1,1,0,0,0|1,0,0]=3 1781 B15R1.1257 CCCC(C)OC(CN)c1ccccc1 34a_100000210709_100000766640 [0,1,1,0,0,0|2,0,0]=4 1782 B15R1.1257 CCCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000766640 [0,1,1,0,0,0|2,0,0]=4 1783 B15R1.1257 CCCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000766640 [0,1,1,0,0,0|2,0,0]=4 1784 B15R1.1257 COCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000765312 [0,1,1,0,0,0|2,0,0]=4 1785 B15R1.1257 COCC(C)OC(CN)c1ccccc1 34a_100000210709_100000765312 [0,1,1,0,0,0|2,0,0]=4 1786 B15R1.1257 COCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000765312 [0,1,1,0,0,0|2,0,0]=4 1787 B15R1.1257 COCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000765312 [0,1,1,0,0,0|2,0,0]=4 1788 B15R1.1412 C#CCCOC(CCC)c1ccccc1 34a_100000747916_100000688953 [0,1,1,0,0,0|1,0,1]=4 1789 B15R1.1412 C#CCCOC(CCC)c1ccccc1 7a_100000747916_100000688953 [0,1,1,0,0,0|1,0,1]=4 1790 B15R1.1412 C#CCCOC(CCN)c1ccccc1 34a_100000763605_100000688953 [0,1,1,0,0,0|1,0,1]=4 1791 B15R1.1412 C#CCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000688953 [0,1,1,0,0,0|1,0,1]=4 1792 B15R1.1412 C#CCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000688953 [0,1,1,0,0,0|1,0,1]=4 1793 B15R1.1412 C/C=C/COC(CCC)c1ccccc1 34a_100000747916_100102629194 [0,1,1,0,0,0|1,0,1]=4 1794 B15R1.1412 C/C=C/COC(CCC)c1ccccc1 7a_100000747916_100102629194 [0,1,1,0,0,0|1,0,1]=4 1795 B15R1.1412 C/C=C/COC(CCN)c1ccccc1 34a_100000763605_100102629194 [0,1,1,0,0,0|1,0,1]=4 1796 B15R1.1412 C/C=C/CO[C@H](CCCl)c1ccccc1 34a_100000729684_100102629194 [0,1,1,0,0,0|1,0,1]=4 1797 B15R1.1412 C/C=C/CO[C@H](CCCl)c1ccccc1 7a_100000729684_100102629194 [0,1,1,0,0,0|1,0,1]=4 1798 B15R1.1412 C=CCC(OCCCC)c1ccccc1 34a_100000687291_100000210210 [0,1,1,0,0,0|1,0,1]=4 1799 B15R1.1412 C=CCC(OCCCC)c1ccccc1 7a_100000687291_100000210211 [0,1,1,0,0,0|1,0,1]=4 1800 B15R1.1412 C=CCC(OCCOC)c1ccccc1 34a_100000687291_100011201679 [0,1,1,0,0,0|1,0,1]=4 1801 B15R1.1412 C=CCC(OCCOC)c1ccccc1 7a_100000687291_100000233755 [0,1,1,0,0,0|1,0,1]=4 1802 B15R1.1412 C=CCC(OCCSC)c1ccccc1 34a_100000687291_100000212216 [0,1,1,0,0,0|1,0,1]=4 1803 B15R1.1412 C=CCC(OCCSC)c1ccccc1 7a_100000687291_100000212216 [0,1,1,0,0,0|1,0,1]=4 1804 B15R1.1412 C=CCCOC(CCC)c1ccccc1 34a_100000747916_100000754431 [0,1,1,0,0,0|1,0,1]=4 1805 B15R1.1412 C=CCCOC(CCC)c1ccccc1 7a_100000747916_100000754431 [0,1,1,0,0,0|1,0,1]=4 1806 B15R1.1412 C=CCCOC(CCN)c1ccccc1 34a_100000763605_100000754431 [0,1,1,0,0,0|1,0,1]=4 1807 B15R1.1412 C=CCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000754431 [0,1,1,0,0,0|1,0,1]=4 1808 B15R1.1412 C=CCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000754431 [0,1,1,0,0,0|1,0,1]=4 1809 B15R1.1412 CC#CCOC(CCC)c1ccccc1 34a_100000747916_100000748600 [0,1,1,0,0,0|1,0,1]=4 1810 B15R1.1412 CC#CCOC(CCC)c1ccccc1 7a_100000747916_100000748600 [0,1,1,0,0,0|1,0,1]=4 1811 B15R1.1412 CC#CCOC(CCN)c1ccccc1 34a_100000763605_100000748600 [0,1,1,0,0,0|1,0,1]=4 1812 B15R1.1412 CC#CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000748600 [0,1,1,0,0,0|1,0,1]=4 1813 B15R1.1412 CC#CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000748600 [0,1,1,0,0,0|1,0,1]=4 1814 B15R1.1412 CC=CCOC(CCC)c1ccccc1 34a_100000747916_100000070051 [0,1,1,0,0,0|1,0,1]=4 1815 B15R1.1412 CC=CCOC(CCC)c1ccccc1 7a_100000747916_100000070051 [0,1,1,0,0,0|1,0,1]=4 1816 B15R1.1412 CC=CCOC(CCN)c1ccccc1 34a_100000763605_100000070051 [0,1,1,0,0,0|1,0,1]=4 1817 B15R1.1412 CC=CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000070051 [0,1,1,0,0,0|1,0,1]=4 1818 B15R1.1412 CC=CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000070051 [0,1,1,0,0,0|1,0,1]=4 1819 B15R1.1412 CCCC(NCCOC)c1ccccc1 2230a_100000189686_100011201679 [0,1,1,0,0,0|2,0,0]=4 1820 B15R1.1412 CCCC(NCCOC)c1ccccc1 269862a_100000209980_100000211045 [0,1,1,0,0,0|2,0,0]=4 1821 B15R1.1412 CCCC(NCCOC)c1ccccc1 34a_100000189686_100011201679 [0,1,1,0,0,0|2,0,0]=4 1822 B15R1.1412 CCCC(NCCSC)c1ccccc1 2230a_100000189686_100000751147 [0,1,1,0,0,0|2,0,0]=4 1823 B15R1.1412 CCCC(NCCSC)c1ccccc1 269862a_100020590264_100000211045 [0,1,1,0,0,0|2,0,0]=4 1824 B15R1.1412 CCCC(NCCSC)c1ccccc1 34a_100000189686_100000212216 [0,1,1,0,0,0|2,0,0]=4 1825 B15R1.1412 CCCC(OCCC#N)c1ccccc1 7a_100000747916_100000184422 [0,1,1,0,0,0|2,0,0]=4 1826 B15R1.1412 CCCC(OCCCF)c1ccccc1 34a_100000747916_100011934791 [0,1,1,0,0,0|2,0,0]=4 1827 B15R1.1412 CCCC(OCCCF)c1ccccc1 7a_100000747916_100011934791 [0,1,1,0,0,0|2,0,0]=4 1828 B15R1.1412 CCCC(OCCCO)c1ccccc1 34a_100000747916_100000230001 [0,1,1,0,0,0|2,0,0]=4 1829 B15R1.1412 CCCC(OCCCO)c1ccccc1 7a_100000747916_100011215043 [0,1,1,0,0,0|2,0,0]=4 1830 B15R1.1412 CCCC(OCCOC)c1ccccc1 34a_100000747916_100011201679 [0,1,1,0,0,0|1,0,0]=3 1831 B15R1.1412 CCCC(OCCOC)c1ccccc1 7a_100000747916_100000233755 [0,1,1,0,0,0|1,0,0]=3 1832 B15R1.1412 CCCC(OCCSC)c1ccccc1 34a_100000747916_100000212216 [0,1,1,0,0,0|1,0,0]=3 1833 B15R1.1412 CCCC(OCCSC)c1ccccc1 7a_100000747916_100000212216 [0,1,1,0,0,0|1,0,0]=3 1834 B15R1.1412 CCCCCC(NCC)c1ccccc1 269862a_100015525214_100000211787 [0,1,1,0,0,0|2,0,0]=4 1835 B15R1.1412 CCCCCC(OCC)c1ccccc1 34a_100000748122_100000210202 [0,1,1,0,0,0|2,0,0]=4 1836 B15R1.1412 CCCCCC(OCC)c1ccccc1 7a_100000748122_100000210202 [0,1,1,0,0,0|2,0,0]=4 1837 B15R1.1412 CCCCNC(CCC)c1ccccc1 2230a_100000189686_100000210211 [0,1,1,0,0,0|2,0,0]=4 1838 B15R1.1412 CCCCNC(CCC)c1ccccc1 269862a_100000102301_100000211045 [0,1,1,0,0,0|2,0,0]=4 1839 B15R1.1412 CCCCNC(CCC)c1ccccc1 34a_100000189686_100000210210 [0,1,1,0,0,0|2,0,0]=4 1840 B15R1.1412 CCCCNC(CCCl)c1ccccc1 2230a_100000102301_200010132975 [0,1,1,0,0,0|2,0,0]=4 1841 B15R1.1412 CCCCNC(CCCl)c1ccccc1 7a_106832991798_200010132975 [0,1,1,0,0,0|2,0,0]=4 1842 B15R1.1412 CCCCNC(COC)c1ccccc1 269862a_100000102301_100000765260 [0,1,1,0,0,0|2,0,0]=4 1843 B15R1.1412 CCCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210211 [0,1,1,0,0,0|2,0,0]=4 1844 B15R1.1412 CCCCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210211 [0,1,1,0,0,0|2,0,0]=4 1845 B15R1.1412 CCCCN[C@H](COC)c1ccccc1 34a_103619048568_100000210210 [0,1,1,0,0,0|2,0,0]=4 1846 B15R1.1412 CCCCOC(CCC)c1ccccc1 34a_100000747916_100000210210 [0,1,1,0,0,0|1,0,0]=3 1847 B15R1.1412 CCCCOC(CCC)c1ccccc1 7a_100000747916_100000210211 [0,1,1,0,0,0|1,0,0]=3 1848 B15R1.1412 CCCCOC(CCCl)c1ccccc1 7a_100000210227_200010132975 [0,1,1,0,0,0|1,0,0]=3 1849 B15R1.1412 CCCCOC(CCN)c1ccccc1 34a_100000763605_100000210210 [0,1,1,0,0,0|1,0,0]=3 1850 B15R1.1412 CCCCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210211 [0,1,1,0,0,0|1,0,1]=4 1851 B15R1.1412 CCCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210210 [0,1,1,0,0,0|1,0,0]=3 1852 B15R1.1412 CCCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210211 [0,1,1,0,0,0|1,0,0]=3 1853 B15R1.1412 CCCCSC(CCCl)c1ccccc1 62a_100000210211_200010132975 [0,1,1,0,0,0|1,1,0]=4 1854 B15R1.1412 CCCCSC(CCCl)c1ccccc1 62a_200010132975_100000210210 [0,1,1,0,0,0|1,1,0]=4 1855 B15R1.1412 CCNC(CCCNC)c1cccnc1 269862a_100015525214_100020654510 [0,1,1,0,0,0|2,0,0]=4 1856 B15R1.1412 COCC(NCCSC)c1ccccc1 269862a_100020590264_100000765260 [0,1,1,0,0,0|2,0,0]=4 1857 B15R1.1412 COCCNC(CCCl)c1ccccc1 2230a_100000209980_200010132975 [0,1,1,0,0,0|2,0,0]=4 1858 B15R1.1412 COCCNC(COC)c1ccccc1 269862a_100000209980_100000765260 [0,1,1,0,0,0|2,0,0]=4 1859 B15R1.1412 COCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100011201679 [0,1,1,0,0,0|2,0,0]=4 1860 B15R1.1412 COCCN[C@H](COC)c1ccccc1 2230a_103619048568_100011201679 [0,1,1,0,0,0|2,0,0]=4 1861 B15R1.1412 COCCN[C@H](COC)c1ccccc1 34a_103619048568_100011201679 [0,1,1,0,0,0|2,0,0]=4 1862 B15R1.1412 COCCOC(CCN)c1ccccc1 34a_100000763605_100011201679 [0,1,1,0,0,0|1,0,0]=3 1863 B15R1.1412 COCCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000233755 [0,1,1,0,0,0|1,0,1]=4 1864 B15R1.1412 COCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100011201679 [0,1,1,0,0,0|1,0,0]=3 1865 B15R1.1412 COCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000233755 [0,1,1,0,0,0|1,0,0]=3 1866 B15R1.1412 COCCSC(CCCl)c1ccccc1 62a_100000233755_200010132975 [0,1,1,0,0,0|1,1,0]=4 1867 B15R1.1412 COCCSC(CCCl)c1ccccc1 62a_200010132975_100000233755 [0,1,1,0,0,0|1,1,0]=4 1868 B15R1.1412 COC[C@@H](NCCSC)c1ccccc1 2230a_103619048568_100000751147 [0,1,1,0,0,0|2,0,0]=4 1869 B15R1.1412 COC[C@@H](NCCSC)c1ccccc1 34a_103619048568_100000212216 [0,1,1,0,0,0|2,0,0]=4 1870 B15R1.1412 CSCCNC(CCCl)c1ccccc1 2230a_100020590264_200010132975 [0,1,1,0,0,0|2,0,0]=4 1871 B15R1.1412 CSCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000751147 [0,1,1,0,0,0|2,0,0]=4 1872 B15R1.1412 CSCCOC(CCCl)c1ccccc1 7a_100000230434_200010132975 [0,1,1,0,0,0|1,0,0]=3 1873 B15R1.1412 CSCCOC(CCN)c1ccccc1 34a_100000763605_100000212216 [0,1,1,0,0,0|1,0,0]=3 1874 B15R1.1412 CSCCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000212216 [0,1,1,0,0,0|1,0,1]=4 1875 B15R1.1412 CSCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000212216 [0,1,1,0,0,0|1,0,0]=3 1876 B15R1.1412 CSCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000212216 [0,1,1,0,0,0|1,0,0]=3 1877 B15R1.1412 CSCCSC(CCCl)c1ccccc1 62a_100000212216_200010132975 [0,1,1,0,0,0|1,1,0]=4 1878 B15R1.1412 CSCCSC(CCCl)c1ccccc1 62a_200010132975_100000751147 [0,1,1,0,0,0|1,1,0]=4 1879 B15R1.1412 FCCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100011934791 [0,1,1,0,0,0|2,0,0]=4 1880 B15R1.1412 FCCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100011934791 [0,1,1,0,0,0|2,0,0]=4 1881 B15R1.1412 N#CCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000184422 [0,1,1,0,0,0|2,0,0]=4 1882 B15R1.1412 NCCC(OCCCF)c1ccccc1 34a_100000763605_100011934791 [0,1,1,0,0,0|2,0,0]=4 1883 B15R1.1412 NCCC(OCCCO)c1ccccc1 34a_100000763605_100000230001 [0,1,1,0,0,0|2,0,0]=4 1884 B15R1.1412 OCCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000230001 [0,1,1,0,0,0|2,0,0]=4 1885 B15R1.1412 OCCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100011215043 [0,1,1,0,0,0|2,0,0]=4 1886 B15R1.3402 C#CCCOC(CC)c1ccccc1F 34a_200011689290_100000688953 [0,1,1,0,0,0|1,0,1]=4 1887 B15R1.3402 C#CCCOC(CC)c1ccccc1F 7a_200011689290_100000688953 [0,1,1,0,0,0|1,0,1]=4 1888 B15R1.3402 C/C=C/COC(CC)c1ccccc1F 34a_200011689290_100102629194 [0,1,1,0,0,0|1,0,1]=4 1889 B15R1.3402 C/C=C/COC(CC)c1ccccc1F 7a_200011689290_100102629194 [0,1,1,0,0,0|1,0,1]=4 1890 B15R1.3402 C=CCCOC(CC)c1ccccc1F 34a_200011689290_100000754431 [0,1,1,0,0,0|1,0,1]=4 1891 B15R1.3402 C=CCCOC(CC)c1ccccc1F 7a_200011689290_100000754431 [0,1,1,0,0,0|1,0,1]=4 1892 B15R1.3402 CC#CCOC(CC)c1ccccc1F 34a_200011689290_100000748600 [0,1,1,0,0,0|1,0,1]=4 1893 B15R1.3402 CC#CCOC(CC)c1ccccc1F 7a_200011689290_100000748600 [0,1,1,0,0,0|1,0,1]=4 1894 B15R1.3402 CC=CCOC(CC)c1ccccc1F 34a_200011689290_100000070051 [0,1,1,0,0,0|1,0,1]=4 1895 B15R1.3402 CC=CCOC(CC)c1ccccc1F 7a_200011689290_100000070051 [0,1,1,0,0,0|1,0,1]=4 1896 B15R1.3402 CCC(NCCOC)c1ccccc1C 269862a_100000209980_100011350723 [0,1,1,0,0,0|2,0,0]=4 1897 B15R1.3402 CCC(NCCOC)c1ccccc1Cl 269862a_100000209980_100011400563 [0,1,1,0,0,0|2,0,0]=4 1898 B15R1.3402 CCC(NCCOC)c1ccccc1F 269862a_100000209980_100000686739 [0,1,1,0,0,0|2,0,0]=4 1899 B15R1.3402 CCC(NCCSC)c1ccccc1C 269862a_100020590264_100011350723 [0,1,1,0,0,0|2,0,0]=4 1900 B15R1.3402 CCC(NCCSC)c1ccccc1Cl 269862a_100020590264_100011400563 [0,1,1,0,0,0|2,0,0]=4 1901 B15R1.3402 CCC(NCCSC)c1ccccc1F 269862a_100020590264_100000686739 [0,1,1,0,0,0|2,0,0]=4 1902 B15R1.3402 CCC(OCCC#N)c1ccccc1F 7a_200011689290_100000184422 [0,1,1,0,0,0|2,0,0]=4 1903 B15R1.3402 CCC(OCCCF)c1ccccc1F 34a_200011689290_100011934791 [0,1,1,0,0,0|2,0,0]=4 1904 B15R1.3402 CCC(OCCCF)c1ccccc1F 7a_200011689290_100011934791 [0,1,1,0,0,0|2,0,0]=4 1905 B15R1.3402 CCC(OCCCO)c1ccccc1F 34a_200011689290_100000230001 [0,1,1,0,0,0|2,0,0]=4 1906 B15R1.3402 CCC(OCCCO)c1ccccc1F 7a_200011689290_100011215043 [0,1,1,0,0,0|2,0,0]=4 1907 B15R1.3402 CCC(OCCOC)c1ccccc1F 34a_200011689290_100011201679 [0,1,1,0,0,0|1,0,0]=3 1908 B15R1.3402 CCC(OCCOC)c1ccccc1F 7a_200011689290_100000233755 [0,1,1,0,0,0|1,0,0]=3 1909 B15R1.3402 CCC(OCCSC)c1ccccc1F 34a_200011689290_100000212216 [0,1,1,0,0,0|1,0,0]=3 1910 B15R1.3402 CCC(OCCSC)c1ccccc1F 7a_200011689290_100000212216 [0,1,1,0,0,0|1,0,0]=3 1911 B15R1.3402 CCCCNC(CC)c1ccccc1C 269862a_100000102301_100011350723 [0,1,1,0,0,0|2,0,0]=4 1912 B15R1.3402 CCCCNC(CC)c1ccccc1Cl 269862a_100000102301_100011400563 [0,1,1,0,0,0|2,0,0]=4 1913 B15R1.3402 CCCCNC(CC)c1ccccc1F 269862a_100000102301_100000686739 [0,1,1,0,0,0|2,0,0]=4 1914 B15R1.3402 CCCCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210211 [0,1,1,0,0,0|2,0,0]=4 1915 B15R1.3402 CCCCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210210 [0,1,1,0,0,0|2,0,0]=4 1916 B15R1.3402 CCCCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210211 [0,1,1,0,0,0|2,0,0]=4 1917 B15R1.3402 CCCCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210210 [0,1,1,0,0,0|2,0,0]=4 1918 B15R1.3402 CCCCOC(CC)c1ccccc1F 34a_200011689290_100000210210 [0,1,1,0,0,0|1,0,0]=3 1919 B15R1.3402 CCCCOC(CC)c1ccccc1F 7a_200011689290_100000210211 [0,1,1,0,0,0|1,0,0]=3 1920 B15R1.3402 CCCCOC(CN)c1ccccc1Br 34a_100011236429_100000210210 [0,1,1,0,0,0|2,0,0]=4 1921 B15R1.3402 CCCCOC(CN)c1ccccc1Cl 34a_200000759403_100000210210 [0,1,1,0,0,0|2,0,0]=4 1922 B15R1.3402 CC[C@H](NCCOC)c1ccccc1Cl 2230a_200016987949_100011201679 [0,1,1,0,0,0|2,0,0]=4 1923 B15R1.3402 CC[C@H](NCCOC)c1ccccc1Cl 34a_200016987949_100011201679 [0,1,1,0,0,0|2,0,0]=4 1924 B15R1.3402 CC[C@H](NCCOC)c1ccccc1F 2230a_100015190424_100011201679 [0,1,1,0,0,0|2,0,0]=4 1925 B15R1.3402 CC[C@H](NCCOC)c1ccccc1F 34a_100015190424_100011201679 [0,1,1,0,0,0|2,0,0]=4 1926 B15R1.3402 CC[C@H](NCCSC)c1ccccc1Cl 2230a_200016987949_100000751147 [0,1,1,0,0,0|2,0,0]=4 1927 B15R1.3402 CC[C@H](NCCSC)c1ccccc1Cl 34a_200016987949_100000212216 [0,1,1,0,0,0|2,0,0]=4 1928 B15R1.3402 CC[C@H](NCCSC)c1ccccc1F 2230a_100015190424_100000751147 [0,1,1,0,0,0|2,0,0]=4 1929 B15R1.3402 CC[C@H](NCCSC)c1ccccc1F 34a_100015190424_100000212216 [0,1,1,0,0,0|2,0,0]=4 1930 B15R1.3402 COCCOC(CN)c1ccccc1Br 34a_100011236429_100011201679 [0,1,1,0,0,0|2,0,0]=4 1931 B15R1.3402 COCCOC(CN)c1ccccc1Cl 34a_200000759403_100011201679 [0,1,1,0,0,0|2,0,0]=4 1932 B15R1.3402 CSCCOC(CN)c1ccccc1Br 34a_100011236429_100000212216 [0,1,1,0,0,0|2,0,0]=4 1933 B15R1.3402 CSCCOC(CN)c1ccccc1Cl 34a_200000759403_100000212216 [0,1,1,0,0,0|2,0,0]=4 1934 B15R1.3473 C#CCCOC(C)(CC)c1ccccc1 7a_100000748282_100000688953 [0,1,1,0,0,0|1,0,1]=4 1935 B15R1.3473 C/C=C/COC(C)(CC)c1ccccc1 7a_100000748282_100102629194 [0,1,1,0,0,0|1,0,1]=4 1936 B15R1.3473 C=CCCOC(C)(CC)c1ccccc1 7a_100000748282_100000754431 [0,1,1,0,0,0|1,0,1]=4 1937 B15R1.3473 CC#CCOC(C)(CC)c1ccccc1 7a_100000748282_100000748600 [0,1,1,0,0,0|1,0,1]=4 1938 B15R1.3473 CC=CCOC(C)(CC)c1ccccc1 7a_100000748282_100000070051 [0,1,1,0,0,0|1,0,1]=4 1939 B15R1.3473 CCC(C)(OCCC#N)c1ccccc1 7a_100000748282_100000184422 [0,1,1,0,0,0|2,0,0]=4 1940 B15R1.3473 CCC(C)(OCCCF)c1ccccc1 7a_100000748282_100011934791 [0,1,1,0,0,0|2,0,0]=4 1941 B15R1.3473 CCC(C)(OCCCO)c1ccccc1 7a_100000748282_100011215043 [0,1,1,0,0,0|2,0,0]=4 1942 B15R1.3473 CCC(C)(OCCOC)c1ccccc1 7a_100000748282_100000233755 [0,1,1,0,0,0|1,0,0]=3 1943 B15R1.3473 CCC(C)(OCCSC)c1ccccc1 7a_100000748282_100000212216 [0,1,1,0,0,0|1,0,0]=3 1944 B15R1.3473 CCCCOC(C)(CC)c1ccccc1 7a_100000748282_100000210211 [0,1,1,0,0,0|1,0,0]=3 1945 B15R1.3474 C#CCCOC(c1ccccc1)C(C)C 34a_200011217822_100000688953 [0,1,1,0,0,0|1,0,1]=4 1946 B15R1.3474 C#CCCOC(c1ccccc1)C(C)C 7a_200011217822_100000688953 [0,1,1,0,0,0|1,0,1]=4 1947 B15R1.3474 C/C=C/COC(c1ccccc1)C(C)C 34a_200011217822_100102629194 [0,1,1,0,0,0|1,0,1]=4 1948 B15R1.3474 C/C=C/COC(c1ccccc1)C(C)C 7a_200011217822_100102629194 [0,1,1,0,0,0|1,0,1]=4 1949 B15R1.3474 C=C(C)C(OCCCC)c1ccccc1 34a_200011216824_100000210210 [0,1,1,0,0,0|1,0,1]=4 1950 B15R1.3474 C=C(C)C(OCCCC)c1ccccc1 7a_200011216824_100000210211 [0,1,1,0,0,0|1,0,1]=4 1951 B15R1.3474 C=C(C)C(OCCOC)c1ccccc1 34a_200011216824_100011201679 [0,1,1,0,0,0|1,0,1]=4 1952 B15R1.3474 C=C(C)C(OCCOC)c1ccccc1 7a_200011216824_100000233755 [0,1,1,0,0,0|1,0,1]=4 1953 B15R1.3474 C=C(C)C(OCCSC)c1ccccc1 34a_200011216824_100000212216 [0,1,1,0,0,0|1,0,1]=4 1954 B15R1.3474 C=C(C)C(OCCSC)c1ccccc1 7a_200011216824_100000212216 [0,1,1,0,0,0|1,0,1]=4 1955 B15R1.3474 C=CCCOC(c1ccccc1)C(C)C 34a_200011217822_100000754431 [0,1,1,0,0,0|1,0,1]=4 1956 B15R1.3474 C=CCCOC(c1ccccc1)C(C)C 7a_200011217822_100000754431 [0,1,1,0,0,0|1,0,1]=4 1957 B15R1.3474 CC#CCOC(c1ccccc1)C(C)C 34a_200011217822_100000748600 [0,1,1,0,0,0|1,0,1]=4 1958 B15R1.3474 CC#CCOC(c1ccccc1)C(C)C 7a_200011217822_100000748600 [0,1,1,0,0,0|1,0,1]=4 1959 B15R1.3474 CC(C)C(OCCC#N)c1ccccc1 7a_200011217822_100000184422 [0,1,1,0,0,0|2,0,0]=4 1960 B15R1.3474 CC(C)C(OCCCF)c1ccccc1 34a_200011217822_100011934791 [0,1,1,0,0,0|2,0,0]=4 1961 B15R1.3474 CC(C)C(OCCCF)c1ccccc1 7a_200011217822_100011934791 [0,1,1,0,0,0|2,0,0]=4 1962 B15R1.3474 CC(C)C(OCCCO)c1ccccc1 34a_200011217822_100000230001 [0,1,1,0,0,0|2,0,0]=4 1963 B15R1.3474 CC(C)C(OCCCO)c1ccccc1 7a_200011217822_100011215043 [0,1,1,0,0,0|2,0,0]=4 1964 B15R1.3474 CC=CCOC(c1ccccc1)C(C)C 34a_200011217822_100000070051 [0,1,1,0,0,0|1,0,1]=4 1965 B15R1.3474 CC=CCOC(c1ccccc1)C(C)C 7a_200011217822_100000070051 [0,1,1,0,0,0|1,0,1]=4 1966 B15R1.3474 CCCCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210211 [0,1,1,0,0,0|2,0,0]=4 1967 B15R1.3474 CCCCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210211 [0,1,1,0,0,0|2,0,0]=4 1968 B15R1.3474 CCCCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210210 [0,1,1,0,0,0|2,0,0]=4 1969 B15R1.3474 CCCCOC(C(=O)C)c1ccccc1 7a_100000210227_100009888967 [0,1,1,0,0,0|1,0,1]=4 1970 B15R1.3474 CCCCOC(c1ccccc1)C(C)C 34a_200011217822_100000210210 [0,1,1,0,0,0|1,0,0]=3 1971 B15R1.3474 CCCCOC(c1ccccc1)C(C)C 7a_200011217822_100000210211 [0,1,1,0,0,0|1,0,0]=3 1972 B15R1.3474 COCCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100011201679 [0,1,1,0,0,0|2,0,0]=4 1973 B15R1.3474 COCCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100011201679 [0,1,1,0,0,0|2,0,0]=4 1974 B15R1.3474 COCCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100011201679 [0,1,1,0,0,0|2,0,0]=4 1975 B15R1.3474 COCCOC(c1ccccc1)C(C)C 34a_200011217822_100011201679 [0,1,1,0,0,0|1,0,0]=3 1976 B15R1.3474 COCCOC(c1ccccc1)C(C)C 7a_200011217822_100000233755 [0,1,1,0,0,0|1,0,0]=3 1977 B15R1.3474 CSCCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000751147 [0,1,1,0,0,0|2,0,0]=4 1978 B15R1.3474 CSCCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000751147 [0,1,1,0,0,0|2,0,0]=4 1979 B15R1.3474 CSCCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000212216 [0,1,1,0,0,0|2,0,0]=4 1980 B15R1.3474 CSCCOC(C(=O)C)c1ccccc1 7a_100000230434_100009888967 [0,1,1,0,0,0|1,0,1]=4 1981 B15R1.3474 CSCCOC(c1ccccc1)C(C)C 34a_200011217822_100000212216 [0,1,1,0,0,0|1,0,0]=3 1982 B15R1.3474 CSCCOC(c1ccccc1)C(C)C 7a_200011217822_100000212216 [0,1,1,0,0,0|1,0,0]=3 1983 B15R1.5331 C#CC(OCCN(C)C)c1ccccc1 7a_100011219616_100000755713 [0,1,1,0,0,0|0,0,2]=4 1984 B15R1.5331 C=C(C)CCNC(CC)c1ccccc1 2230a_100000737752_100000730704 [0,1,1,0,0,0|2,0,0]=4 1985 B15R1.5331 C=C(C)CCOC(CBr)c1ccccc1 7a_100000185958_100000730704 [0,1,1,0,0,0|2,0,0]=4 1986 B15R1.5331 C=C(C)CCOC(CC)c1ccccc1 34a_100000698172_100000730704 [0,1,1,0,0,0|1,0,0]=3 1987 B15R1.5331 C=C(C)CCOC(CC)c1ccccc1 7a_100000698172_100000730704 [0,1,1,0,0,0|1,0,0]=3 1988 B15R1.5331 C=C(C)CCOC(CN)c1ccccc1 34a_100000210709_100000730704 [0,1,1,0,0,0|2,0,0]=4 1989 B15R1.5331 C=C(C)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000730704 [0,1,1,0,0,0|2,0,0]=4 1990 B15R1.5331 C=C(C)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000730704 [0,1,1,0,0,0|2,0,0]=4 1991 B15R1.5331 C=CC(OCCN(C)C)c1ccccc1 7a_100011215659_100000755713 [0,1,1,0,0,0|0,0,2]=4 1992 B15R1.5331 CC(=O)CCOC(CBr)c1ccccc1 7a_100000185958_100000053229 [0,1,1,0,0,0|2,0,0]=4 1993 B15R1.5331 CC(=O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000053229 [0,1,1,0,0,0|2,0,0]=4 1994 B15R1.5331 CC(C)CCOC(CBr)c1ccccc1 7a_100000185958_100000210626 [0,1,1,0,0,0|2,0,0]=4 1995 B15R1.5331 CC(C)CCOC(CN)c1ccccc1 34a_100000210709_100000210312 [0,1,1,0,0,0|2,0,0]=4 1996 B15R1.5331 CC(C)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210312 [0,1,1,0,0,0|2,0,0]=4 1997 B15R1.5331 CC(C)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210626 [0,1,1,0,0,0|2,0,0]=4 1998 B15R1.5331 CC(O)CCOC(CBr)c1ccccc1 7a_100000185958_100012276601 [0,1,1,0,0,0|2,0,0]=4 1999 B15R1.5331 CC(O)CCOC(CN)c1ccccc1 34a_100000210709_100012276601 [0,1,1,0,0,0|2,0,0]=4 2000 B15R1.5331 CC(O)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100012276601 [0,1,1,0,0,0|2,0,0]=4 2001 B15R1.5331 CC(O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100012276601 [0,1,1,0,0,0|2,0,0]=4 2002 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 2230a_100000737752_100000210312 [0,1,1,0,0,0|2,0,0]=4 2003 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 269862a_100000210545_100000210124 [0,1,1,0,0,0|2,0,0]=4 2004 B15R1.5331 CCC(NCCC(C)C)c1ccccc1 269862a_100000737752_100000185833 [0,1,1,0,0,0|2,0,0]=4 2005 B15R1.5331 CCC(NCCC(C)O)c1ccccc1 2230a_100000737752_100012276601 [0,1,1,0,0,0|2,0,0]=4 2006 B15R1.5331 CCC(NCCC(C)O)c1ccccc1 269862a_200000755665_100000210124 [0,1,1,0,0,0|2,0,0]=4 2007 B15R1.5331 CCC(NCCN(C)C)c1ccccc1 269862a_100000210585_100000210124 [0,1,1,0,0,0|1,0,0]=3 2008 B15R1.5331 CCC(NCCN(C)C)c1ccccn1 269862a_100000210585_100000748178 [0,1,1,0,0,0|2,0,0]=4 2009 B15R1.5331 CCC(NCCN(C)C)c1cccnc1 269862a_100000210585_100011218761 [0,1,1,0,0,0|2,0,0]=4 2010 B15R1.5331 CCC(NCCN(C)C)c1ccncc1 269862a_100000210585_100011216016 [0,1,1,0,0,0|2,0,0]=4 2011 B15R1.5331 CCC(OCC=C(C)C)c1ccccc1 34a_100000698172_100000761012 [0,1,1,0,0,0|1,0,1]=4 2012 B15R1.5331 CCC(OCC=C(C)C)c1ccccc1 7a_100000698172_100000761012 [0,1,1,0,0,0|1,0,1]=4 2013 B15R1.5331 CCC(OCCC(=O)C)c1ccccc1 7a_100000698172_100000053229 [0,1,1,0,0,0|1,0,0]=3 2014 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 34a_100000698172_100000731001 [0,1,1,0,0,0|2,0,0]=4 2015 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 7a_100000698172_100000744528 [0,1,1,0,0,0|2,0,0]=4 2016 B15R1.5331 CCC(OCCC(C)C)c1ccccc1 34a_100000698172_100000210312 [0,1,1,0,0,0|1,0,0]=3 2017 B15R1.5331 CCC(OCCC(C)C)c1ccccc1 7a_100000698172_100000210626 [0,1,1,0,0,0|1,0,0]=3 2018 B15R1.5331 CCC(OCCC(C)O)c1ccccc1 34a_100000698172_100012276601 [0,1,1,0,0,0|1,0,0]=3 2019 B15R1.5331 CCC(OCCC(C)O)c1ccccc1 7a_100000698172_100012276601 [0,1,1,0,0,0|1,0,0]=3 2020 B15R1.5331 CCC(OCCN(C)C)c1ccccc1 7a_100000698172_100000755713 [0,1,1,0,0,0|0,0,0]=2 2021 B15R1.5331 CCC(OCOC(=O)C)c1ccccc1 34a_100000698172_100009813279 [0,1,1,0,0,0|2,0,0]=4 2022 B15R1.5331 CCC(OCOC(C)C)c1ccccc1 34a_100000698172_100000709892 [0,1,1,0,0,0|2,0,0]=4 2023 B15R1.5331 CCN(CCCN(C)C)c1ccccc1 269982a_100000210013_100000757444 [0,1,1,0,0,0|2,0,0]=4 2024 B15R1.5331 CN(C)CCOC(C#N)c1ccccc1 7a_100011217353_100000755713 [0,1,1,0,0,0|1,0,1]=4 2025 B15R1.5331 CN(C)CCOC(CBr)c1ccccc1 7a_100000185958_100000755713 [0,1,1,0,0,0|1,0,0]=3 2026 B15R1.5331 CN(C)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000755713 [0,1,1,0,0,0|1,0,0]=3 2027 B15R1.158 CCC(C)C(COCF)c1ccccc1 34a_200011273946_100015361967 [0,1,1,0,0,0|2,0,0]=4 2028 B15R1.158 CCC(C)C(COCF)c1ccccc1 7a_200011273946_100015361967 [0,1,1,0,0,0|2,0,0]=4 2029 B15R1.158 CCC(C)C(NCCF)c1ccccc1 2230a_100025702663_100011217306 [0,1,1,0,0,0|2,0,0]=4 2030 B15R1.158 CCC(C)C(NCCO)c1ccccc1 2230a_100025702663_100000211926 [0,1,1,0,0,0|2,0,0]=4 2031 B15R1.158 CCC(C)C(NCOC)c1ccccc1 2230a_100025702663_100000766300 [0,1,1,0,0,0|2,0,0]=4 2032 B15R1.158 CCC(C)C(NCSC)c1ccccc1 2230a_100025702663_100011218213 [0,1,1,0,0,0|2,0,0]=4 2033 B15R1.158 CCCNC(c1ccccc1)C(C)CC 2230a_100025702663_100000210303 [0,1,1,0,0,0|2,0,0]=4 2034 B15R1.158 CCCOC(C(=O)NC)c1ccccc1 34a_100012026080_100000210303 [0,1,1,0,0,0|1,0,1]=4 2035 B15R1.158 CCOCC(c1ccccc1)C(C)CC 34a_200011273946_100000210202 [0,1,1,0,0,0|1,0,0]=3 2036 B15R1.158 CCOCC(c1ccccc1)C(C)CC 7a_200011273946_100000210202 [0,1,1,0,0,0|1,0,0]=3 2037 B15R1.158 CNC(=O)C(OCCF)c1ccccc1 34a_100012026080_100011217306 [0,1,1,0,0,0|1,0,1]=4 2038 B15R1.158 CNC(=O)C(OCCO)c1ccccc1 34a_100012026080_100000211926 [0,1,1,0,0,0|1,0,1]=4 2039 B15R1.158 CNC(=O)C(OCSC)c1ccccc1 34a_100012026080_100011218213 [0,1,1,0,0,0|1,0,1]=4 2040 B15R1.635 CCOC(C(=O)N(C)C)c1ccccc1 34a_200012109783_100000210202 [0,1,1,0,0,0|1,0,1]=4 2041 B15R1.3197 CCC(C)C(NC(C)C)c1ccccc1 2230a_100025702663_100000210206 [0,1,1,0,0,0|2,0,0]=4 2042 B15R1.3197 CNC(=O)C(OC(C)C)c1ccccc1 34a_100012026080_100000210206 [0,1,1,0,0,0|1,0,1]=4 2043 B15R1.3201 CCC(=O)C(c1ccccc1)C(C)CC 1458a_100000211421_100000210202 [0,1,1,0,0,0|2,0,0]=4 2044 B15R1.9917 CCNC(=O)C(OCC)c1ccccc1 34a_200000215474_100000210202 [0,1,1,0,0,0|1,0,1]=4 2045 B15R1.9917 CCNC(=O)C(OCC)c1ccccc1 7a_200000215474_100000210202 [0,1,1,0,0,0|1,0,1]=4 2046 B15R1.26 CCC(C)CCNCc1ccc(cc1)Br 207a_100020591266_100000186029 [0,1,1,0,0,0|2,0,0]=4 2047 B15R1.26 CCC(C)CCNCc1ccc(cc1)Br 2230a_100020591266_100011217064 [0,1,1,0,0,0|2,0,0]=4 2048 B15R1.26 CCC(C)CCNCc1ccc(cc1)Br 270004a_100020591266_100000186029 [0,1,1,0,0,0|2,0,0]=4 2049 B15R1.26 CCC(C)CCNCc1ccc(cc1)C 207a_100020591266_100000211033 [0,1,1,0,0,0|2,0,0]=4 2050 B15R1.26 CCC(C)CCNCc1ccc(cc1)C 2230a_100020591266_100000210814 [0,1,1,0,0,0|2,0,0]=4 2051 B15R1.26 CCC(C)CCNCc1ccc(cc1)C 270004a_100020591266_100000211033 [0,1,1,0,0,0|2,0,0]=4 2052 B15R1.26 CCC(C)CCNCc1ccc(cc1)Cl 207a_100020591266_100000189385 [0,1,1,0,0,0|2,0,0]=4 2053 B15R1.26 CCC(C)CCNCc1ccc(cc1)Cl 2230a_100020591266_100000694040 [0,1,1,0,0,0|2,0,0]=4 2054 B15R1.26 CCC(C)CCNCc1ccc(cc1)Cl 270004a_100020591266_100000189385 [0,1,1,0,0,0|2,0,0]=4 2055 B15R1.26 CCC(C)CCNCc1ccc(cc1)F 207a_100020591266_100000210084 [0,1,1,0,0,0|2,0,0]=4 2056 B15R1.26 CCC(C)CCNCc1ccc(cc1)F 2230a_100020591266_100000198546 [0,1,1,0,0,0|2,0,0]=4 2057 B15R1.26 CCC(C)CCNCc1ccc(cc1)F 270004a_100020591266_100000210084 [0,1,1,0,0,0|2,0,0]=4 2058 B15R1.26 CCC(C)CCNCc1ccc(cc1)I 207a_100020591266_100000188517 [0,1,1,0,0,0|2,0,0]=4 2059 B15R1.26 CCC(C)CCNCc1ccc(cc1)I 2230a_100020591266_100000189116 [0,1,1,0,0,0|2,0,0]=4 2060 B15R1.26 CCC(C)CCOCc1ccc(cc1)Br 7a_100011215188_100011217064 [0,1,1,0,0,0|1,0,0]=3 2061 B15R1.26 CCC(C)CCOCc1ccc(cc1)C 7a_100011215188_100000210814 [0,1,1,0,0,0|1,0,0]=3 2062 B15R1.26 CCC(C)CCOCc1ccc(cc1)Cl 7a_100011215188_100000187161 [0,1,1,0,0,0|1,0,0]=3 2063 B15R1.26 CCC(C)CCOCc1ccc(cc1)F 7a_100011215188_100000198546 [0,1,1,0,0,0|1,0,0]=3 2064 B15R1.26 CCC(C)CCOCc1ccc(cc1)I 7a_100011215188_100000189116 [0,1,1,0,0,0|1,0,0]=3 2065 B15R1.26 CCC(C)CCOCc1ccc(cn1)Br 7a_100011215188_100000702658 [0,1,1,0,0,0|2,0,0]=4 2066 B15R1.26 CCC(C)CCOCc1ccc(cn1)C 7a_100011215188_100000691093 [0,1,1,0,0,0|2,0,0]=4 2067 B15R1.26 CCC(C)CCOCc1ccc(cn1)Cl 7a_100011215188_100012066911 [0,1,1,0,0,0|2,0,0]=4 2068 B15R1.26 CCC(C)CCOCc1ccc(cn1)F 7a_100011215188_100000703193 [0,1,1,0,0,0|2,0,0]=4 2069 B15R1.26 CCC(C)CCOCc1ccc(nc1)Br 7a_100011215188_100009831999 [0,1,1,0,0,0|2,0,0]=4 2070 B15R1.26 CCC(C)CCOCc1ccc(nc1)C 7a_100011215188_100016987292 [0,1,1,0,0,0|2,0,0]=4 2071 B15R1.26 CCC(C)CCOCc1ccc(nc1)Cl 7a_100011215188_100000735431 [0,1,1,0,0,0|2,0,0]=4 2072 B15R1.26 CCC(C)CCOCc1ccc(nc1)F 7a_100011215188_100009820150 [0,1,1,0,0,0|2,0,0]=4 2073 B15R1.26 CCN(C)CCCCc1ccc(cc1)Br 2230a_100000225621_200012094861 [0,1,1,0,0,0|1,0,0]=3 2074 B15R1.26 CCN(C)CCCCc1ccc(cc1)Br 269982a_100000225621_200012094861 [0,1,1,0,0,0|1,0,0]=3 2075 B15R1.26 CCN(C)CCCCc1ccc(cc1)F 2230a_100000225621_100012093538 [0,1,1,0,0,0|1,0,0]=3 2076 B15R1.26 CCN(C)CCCCc1ccc(cc1)F 269982a_100000225621_100012093538 [0,1,1,0,0,0|1,0,0]=3 2077 B15R1.26 CCN(C)CCCNc1ccc(cc1)Br 2230a_100000210018_100015186262 [0,1,1,0,0,0|2,0,0]=4 2078 B15R1.26 CCN(C)CCCNc1ccc(cc1)Cl 2230a_100000210052_100015186262 [0,1,1,0,0,0|2,0,0]=4 2079 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 2230a_100000225621_100011259224 [0,1,1,0,0,0|2,0,0]=4 2080 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 2230a_100102699777_100000210202 [0,1,1,0,0,0|2,0,0]=4 2081 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 269982a_100000225621_100011259224 [0,1,1,0,0,0|2,0,0]=4 2082 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 269982a_100102699777_100000204670 [0,1,1,0,0,0|2,0,0]=4 2083 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 34a_100102699777_100000210202 [0,1,1,0,0,0|2,0,0]=4 2084 B15R1.26 CCN(C)CCCOc1ccc(cc1)Br 7a_100000185759_100015186262 [0,1,1,0,0,0|2,0,0]=4 2085 B15R1.26 CCN(C)CCCOc1ccc(cc1)C 2230a_100011252574_100000210202 [0,1,1,0,0,0|2,0,0]=4 2086 B15R1.26 CCN(C)CCCOc1ccc(cc1)C 269982a_100011252574_100000204670 [0,1,1,0,0,0|2,0,0]=4 2087 B15R1.26 CCN(C)CCCOc1ccc(cc1)C 34a_100011252574_100000210202 [0,1,1,0,0,0|2,0,0]=4 2088 B15R1.26 CCN(C)CCCOc1ccc(cc1)C 7a_100000210336_100015186262 [0,1,1,0,0,0|2,0,0]=4 2089 B15R1.26 CCN(C)CCCOc1ccc(cc1)Cl 2230a_100000225747_100000210202 [0,1,1,0,0,0|2,0,0]=4 2090 B15R1.26 CCN(C)CCCOc1ccc(cc1)Cl 269982a_100000225747_100000204670 [0,1,1,0,0,0|2,0,0]=4 2091 B15R1.26 CCN(C)CCCOc1ccc(cc1)Cl 34a_100000225747_100000210202 [0,1,1,0,0,0|2,0,0]=4 2092 B15R1.26 CCN(C)CCCOc1ccc(cc1)Cl 7a_100000210216_100015186262 [0,1,1,0,0,0|2,0,0]=4 2093 B15R1.26 CCN(C)CCCOc1ccc(cc1)F 2230a_100000225621_100000181347 [0,1,1,0,0,0|2,0,0]=4 2094 B15R1.26 CCN(C)CCCOc1ccc(cc1)F 2230a_100000225698_100000210202 [0,1,1,0,0,0|2,0,0]=4 2095 B15R1.26 CCN(C)CCCOc1ccc(cc1)F 269982a_100000225621_100000181347 [0,1,1,0,0,0|2,0,0]=4 2096 B15R1.26 CCN(C)CCCOc1ccc(cc1)F 269982a_100000225698_100000204670 [0,1,1,0,0,0|2,0,0]=4 2097 B15R1.26 CCN(C)CCCOc1ccc(cc1)F 34a_100000225698_100000210202 [0,1,1,0,0,0|2,0,0]=4 2098 B15R1.26 CCN(C)CCCOc1ccc(cc1)I 7a_100000212066_100015186262 [0,1,1,0,0,0|2,0,0]=4 2099 B15R1.26 CCN(C)CCCSc1ccc(cc1)Br 62a_100000752885_100015186262 [0,1,1,0,0,0|2,0,0]=4 2100 B15R1.26 CCN(C)CCCSc1ccc(cc1)C 2230a_100015185772_100000210202 [0,1,1,0,0,0|2,0,0]=4 2101 B15R1.26 CCN(C)CCCSc1ccc(cc1)C 269982a_100015185772_100000204670 [0,1,1,0,0,0|2,0,0]=4 2102 B15R1.26 CCN(C)CCCSc1ccc(cc1)C 62a_100000186775_100015186262 [0,1,1,0,0,0|2,0,0]=4 2103 B15R1.26 CCN(C)CCCSc1ccc(cc1)Cl 62a_100000755918_100015186262 [0,1,1,0,0,0|2,0,0]=4 2104 B15R1.26 CCN(C)CCCSc1ccc(cc1)F 62a_100000211213_100015186262 [0,1,1,0,0,0|2,0,0]=4 2105 B15R1.26 CCN(C)CCCSc1ccc(cc1)N 62a_100000185761_100015186262 [0,1,1,0,0,0|2,0,0]=4 2106 B15R1.26 COC(C)CCOCc1ccc(cc1)Br 7a_100000764861_100011217064 [0,1,1,0,0,0|2,0,0]=4 2107 B15R1.26 COC(C)CCOCc1ccc(cc1)C 7a_100000764861_100000210814 [0,1,1,0,0,0|2,0,0]=4 2108 B15R1.26 COC(C)CCOCc1ccc(cc1)Cl 7a_100000764861_100000187161 [0,1,1,0,0,0|2,0,0]=4 2109 B15R1.26 COC(C)CCOCc1ccc(cc1)F 7a_100000764861_100000198546 [0,1,1,0,0,0|2,0,0]=4 2110 B15R1.26 COC(C)CCOCc1ccc(cc1)I 7a_100000764861_100000189116 [0,1,1,0,0,0|2,0,0]=4 2111 B15R1.315 CCC(C)(C)NCOCc1ccccc1 2230a_100000211385_100000763385 [0,1,1,0,0,0|2,0,0]=4 2112 B15R1.315 CCC(C)(C)SCOCc1ccccc1 62a_100000032637_100000763385 [0,1,1,0,0,0|2,0,0]=4 2113 B15R1.315 CCC(C)(C)SCOCc1ccccc1 62a_100000763385_100000032637 [0,1,1,0,0,0|2,0,0]=4 2114 B15R1.315 CCS(=O)(=O)CCOCc1ccccc1 34a_100000210790_100000756660 [0,1,1,0,0,0|2,0,0]=4 2115 B15R1.315 CCS(=O)(=O)CCOCc1ccccc1 34a_200011216379_100015291786 [0,1,1,0,0,0|2,0,0]=4 2116 B15R1.315 CCS(=O)(=O)CCOCc1ccccc1 7a_100000210790_100000756660 [0,1,1,0,0,0|2,0,0]=4 2117 B15R1.315 CCS(=O)(=O)CCOCc1ccccc1 7a_200011216379_100000211182 [0,1,1,0,0,0|2,0,0]=4 2118 B15R1.315 COC(C)(C)CCOCc1ccccc1 7a_100000699976_100000211182 [0,1,1,0,0,0|2,0,0]=4 2119 B15R1.452 CCC(CC)NCOCc1ccccc1 2230a_100000199018_100000763385 [0,1,1,0,0,0|2,0,0]=4 2120 B15R1.452 CCC(CC)SCOCc1ccccc1 62a_100000210505_100000763385 [0,1,1,0,0,0|2,0,0]=4 2121 B15R1.452 CCC(CC)SCOCc1ccccc1 62a_100000763385_100000210505 [0,1,1,0,0,0|2,0,0]=4 2122 B15R1.452 CCN(CC)CCCCc1ccccc1 2230a_100000724800_100000701786 [0,1,1,0,0,0|1,0,0]=3 2123 B15R1.452 CCN(CC)CCCCc1ccccc1 269956a_100000042499_100000701786 [0,1,1,0,0,0|1,0,0]=3 2124 B15R1.452 CCN(CC)CCCCc1ccccc1 269982a_100000724800_100000701786 [0,1,1,0,0,0|1,0,0]=3 2125 B15R1.452 CCN(CC)CCCCc1ccncc1 2230a_100000724800_100020630000 [0,1,1,0,0,0|2,0,0]=4 2126 B15R1.452 CCN(CC)CCCCc1ccncc1 269956a_100000042499_100020630000 [0,1,1,0,0,0|2,0,0]=4 2127 B15R1.452 CCN(CC)CCCCc1ccncc1 269982a_100000724800_100020630000 [0,1,1,0,0,0|2,0,0]=4 2128 B15R1.452 CCN(CC)CCCOc1ccccc1 2230a_100000724800_100000199009 [0,1,1,0,0,0|2,0,0]=4 2129 B15R1.452 CCN(CC)CCCOc1ccccc1 269956a_100000042499_100000199009 [0,1,1,0,0,0|2,0,0]=4 2130 B15R1.452 CCN(CC)CCCOc1ccccc1 269982a_100000724800_100000199009 [0,1,1,0,0,0|2,0,0]=4 2131 B15R1.452 CCN(CC)CCCOc1ccccc1 7a_100000210340_100000709985 [0,1,1,0,0,0|2,0,0]=4 2132 B15R1.452 CCN(CC)CCCSc1ccccc1 2230a_100000724800_200011203293 [0,1,1,0,0,0|2,0,0]=4 2133 B15R1.452 CCN(CC)CCCSc1ccccc1 269956a_100000042499_200011203293 [0,1,1,0,0,0|2,0,0]=4 2134 B15R1.452 CCN(CC)CCCSc1ccccc1 269982a_100000724800_200011203293 [0,1,1,0,0,0|2,0,0]=4 2135 B15R1.452 CCN(CC)CCCSc1ccccc1 62a_100000719477_100000709985 [0,1,1,0,0,0|2,0,0]=4 2136 B15R1.452 CCN(CC)CCNCc1ccccc1 207a_100015382049_100015611070 [0,1,1,0,0,0|1,0,0]=3 2137 B15R1.452 CCN(CC)CCNCc1ccccc1 2230a_100015324214_100000700428 [0,1,1,0,0,0|1,0,0]=3 2138 B15R1.452 CCN(CC)CCNCc1ccccc1 2230a_100015382049_100015291786 [0,1,1,0,0,0|1,0,0]=3 2139 B15R1.452 CCN(CC)CCNCc1ccccc1 270004a_100015382049_100015611070 [0,1,1,0,0,0|1,0,0]=3 2140 B15R1.452 CCN(CC)CCNCc1ccccn1 207a_100015382049_100000209966 [0,1,1,0,0,0|2,0,0]=4 2141 B15R1.452 CCN(CC)CCNCc1ccccn1 2230a_100015382049_100000721315 [0,1,1,0,0,0|2,0,0]=4 2142 B15R1.452 CCN(CC)CCNCc1ccccn1 270004a_100015382049_100000209966 [0,1,1,0,0,0|2,0,0]=4 2143 B15R1.452 CCN(CC)CCNCc1cccnc1 207a_100015382049_100000209961 [0,1,1,0,0,0|2,0,0]=4 2144 B15R1.452 CCN(CC)CCNCc1cccnc1 2230a_100015382049_100000741622 [0,1,1,0,0,0|2,0,0]=4 2145 B15R1.452 CCN(CC)CCNCc1cccnc1 270004a_100015382049_100000209961 [0,1,1,0,0,0|2,0,0]=4 2146 B15R1.452 CCN(CC)CCNCc1ccncc1 207a_100015382049_100000186114 [0,1,1,0,0,0|2,0,0]=4 2147 B15R1.452 CCN(CC)CCNCc1ccncc1 2230a_100015382049_100015193705 [0,1,1,0,0,0|2,0,0]=4 2148 B15R1.452 CCN(CC)CCOCc1ccccc1 2230a_100000724800_100000234347 [0,1,1,0,0,0|0,0,0]=2 2149 B15R1.452 CCN(CC)CCOCc1ccccc1 269956a_100000042499_100000234347 [0,1,1,0,0,0|0,0,0]=2 2150 B15R1.452 CCN(CC)CCOCc1ccccc1 269982a_100000724800_100000234347 [0,1,1,0,0,0|0,0,0]=2 2151 B15R1.452 CCN(CC)CCOCc1ccccc1 7a_100000210790_100000700428 [0,1,1,0,0,0|0,0,0]=2 2152 B15R1.452 CCN(CC)CCOCc1ccccc1 7a_100016990331_100000211182 [0,1,1,0,0,0|0,0,0]=2 2153 B15R1.452 CCN(CC)CCOCc1ccccn1 7a_100016990331_100000721315 [0,1,1,0,0,0|1,0,0]=3 2154 B15R1.452 CCN(CC)CCOCc1cccnc1 7a_100016990331_100000741622 [0,1,1,0,0,0|1,0,0]=3 2155 B15R1.452 CCN(CC)CCOCc1cccnn1 7a_100016990331_100016990269 [0,1,1,0,0,0|2,0,0]=4 2156 B15R1.452 CCN(CC)CCOCc1ccncc1 7a_100016990331_100015193705 [0,1,1,0,0,0|1,0,0]=3 2157 B15R1.452 CCN(CC)CCOCc1cnccn1 7a_100016990331_100016995436 [0,1,1,0,0,0|2,0,0]=4 2158 B15R1.452 CCN(CC)CCOCc1cncnc1 7a_100016990331_100015196519 [0,1,1,0,0,0|2,0,0]=4 2159 B15R1.452 CCN(CC)CCOCc1ncccn1 7a_100016990331_100000703007 [0,1,1,0,0,0|2,0,0]=4 2160 B15R1.452 CCN(CC)CCSCc1ccccc1 2230a_100000724800_200011297719 [0,1,1,0,0,0|0,1,0]=3 2161 B15R1.452 CCN(CC)CCSCc1ccccc1 269956a_100000042499_200011297719 [0,1,1,0,0,0|0,1,0]=3 2162 B15R1.452 CCN(CC)CCSCc1ccccc1 269982a_100000724800_200011297719 [0,1,1,0,0,0|0,1,0]=3 2163 B15R1.452 CCN(CC)CCSCc1ccccc1 62a_100000211182_100000700428 [0,1,1,0,0,0|0,1,0]=3 2164 B15R1.452 CCN(CC)CCSCc1ccccn1 62a_100000721315_100000700428 [0,1,1,0,0,0|1,1,0]=4 2165 B15R1.452 CCN(CC)CCSCc1cccnc1 62a_100000741622_100000700428 [0,1,1,0,0,0|1,1,0]=4 2166 B15R1.452 CCN(CC)CCSCc1ccncc1 62a_100015193705_100000700428 [0,1,1,0,0,0|1,1,0]=4 2167 B15R1.452 CCN(CC)COCCc1ccccc1 7a_200015374951_100000765856 [0,1,1,0,0,0|2,0,0]=4 2168 B15R1.452 CC[C@@H](CO)NCOCc1ccccc1 2230a_100000709445_100000763385 [0,1,1,0,0,0|2,0,0]=4 2169 B15R1.452 COC(CCOCc1ccccc1)OC 34a_100000210790_100000139399 [0,1,1,0,0,0|2,0,0]=4 2170 B15R1.452 COC(CCOCc1ccccc1)OC 7a_100000210790_100009813347 [0,1,1,0,0,0|2,0,0]=4 2171 B15R1.741 CCC(C)CC(C)NCc1ccccc1 207a_100000763565_100015611070 [0,1,1,0,0,0|2,0,0]=4 2172 B15R1.741 CCC(C)CC(C)NCc1ccccc1 2230a_100000763565_100015291786 [0,1,1,0,0,0|2,0,0]=4 2173 B15R1.741 CCC(C)CC(C)NCc1ccccc1 270004a_100000763565_100015611070 [0,1,1,0,0,0|2,0,0]=4 2174 B15R1.741 CCC(C)CC(C)NCc1ccccc1 270004a_100015324214_100011710205 [0,1,1,0,0,0|2,0,0]=4 2175 B15R1.741 CCN(C)CC(=O)CCc1ccccc1 1458a_100116209913_100000765856 [0,1,1,0,0,0|1,0,1]=4 2176 B15R1.741 CCN(C)CC(=O)CCc1ccccc1 2230a_100000225621_100012361361 [0,1,1,0,0,0|1,0,1]=4 2177 B15R1.741 CCN(C)CC(=O)CCc1ccccc1 269982a_100000225621_100012361361 [0,1,1,0,0,0|1,0,1]=4 2178 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 2230a_100000225621_100000183539 [0,1,1,0,0,0|1,0,1]=4 2179 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 2230a_100015205873_100000210202 [0,1,1,0,0,0|1,0,1]=4 2180 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 240690a_100015324214_100116209913 [0,1,1,0,0,0|1,0,1]=4 2181 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 269982a_100000225621_100000183539 [0,1,1,0,0,0|1,0,1]=4 2182 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 269982a_100015205873_100000204670 [0,1,1,0,0,0|1,0,1]=4 2183 B15R1.741 CCN(C)CC(=O)NCc1ccccc1 527a_100015324214_100116209913 [0,1,1,0,0,0|1,0,1]=4 2184 B15R1.741 CCN(C)CC(=O)OCc1ccccc1 2230a_100000225621_100000753625 [0,1,1,0,0,0|0,0,1]=3 2185 B15R1.741 CCN(C)CC(=O)OCc1ccccc1 2230a_100020626385_100000210202 [0,1,1,0,0,0|0,0,1]=3 2186 B15R1.741 CCN(C)CC(=O)OCc1ccccc1 269982a_100000225621_100000753625 [0,1,1,0,0,0|0,0,1]=3 2187 B15R1.741 CCN(C)CC(=O)OCc1ccccc1 269982a_100020626385_100000204670 [0,1,1,0,0,0|0,0,1]=3 2188 B15R1.741 CCN(C)CC(O)COc1ccccc1 2230a_100000179124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2189 B15R1.741 CCN(C)CC(O)COc1ccccc1 269982a_100000179124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2190 B15R1.741 CCN([13CH3])CC(O)COc1ccccc1 2230a_100000179124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2191 B15R1.741 CCN([13CH3])CC(O)COc1ccccc1 269982a_100000179124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2192 B15R1.741 CN(CF)CC(=O)OCc1ccccc1 269982a_100020626385_100015361967 [0,1,1,0,0,0|1,0,1]=4 2193 B15R1.778 C#CCN(C)CCCCc1ccccc1 2230a_100000225692_100000701786 [0,1,1,0,0,0|1,0,1]=4 2194 B15R1.778 C#CCN(C)CCCCc1ccccc1 2230a_100000741445_100000038162 [0,1,1,0,0,0|1,0,1]=4 2195 B15R1.778 C#CCN(C)CCCCc1ccccc1 34a_100000225692_100000701786 [0,1,1,0,0,0|1,0,1]=4 2196 B15R1.778 C#CCN(C)CCCCc1ccccc1 34a_100000741445_100000184674 [0,1,1,0,0,0|1,0,1]=4 2197 B15R1.778 C#CCN(C)CCOCc1ccccc1 2230a_100000225692_100000234347 [0,1,1,0,0,0|0,0,1]=3 2198 B15R1.778 C#CCN(C)CCOCc1ccccc1 2230a_100000687121_100000038162 [0,1,1,0,0,0|0,0,1]=3 2199 B15R1.778 C#CCN(C)CCOCc1ccccc1 34a_100000225692_100000234347 [0,1,1,0,0,0|0,0,1]=3 2200 B15R1.778 C#CCN(C)CCSCc1ccccc1 2230a_100000225692_200011297719 [0,1,1,0,0,0|0,1,1]=4 2201 B15R1.778 C#CCN(C)CCSCc1ccccc1 34a_100000225692_200011297719 [0,1,1,0,0,0|0,1,1]=4 2202 B15R1.778 C=CCN(C)CCCCc1ccccc1 2230a_100000225617_100000701786 [0,1,1,0,0,0|1,0,1]=4 2203 B15R1.778 C=CCN(C)CCCCc1ccccc1 2230a_100000741445_100000210623 [0,1,1,0,0,0|1,0,1]=4 2204 B15R1.778 C=CCN(C)CCCCc1ccccc1 269982a_100000225617_100000701786 [0,1,1,0,0,0|1,0,1]=4 2205 B15R1.778 C=CCN(C)CCCCc1ccccc1 269982a_100000741445_100000210623 [0,1,1,0,0,0|1,0,1]=4 2206 B15R1.778 C=CCN(C)CCCCc1ccccc1 34a_100000741445_100015514636 [0,1,1,0,0,0|1,0,1]=4 2207 B15R1.778 C=CCN(C)CCOCc1ccccc1 2230a_100000225617_100000234347 [0,1,1,0,0,0|0,0,1]=3 2208 B15R1.778 C=CCN(C)CCOCc1ccccc1 2230a_100000687121_100000210623 [0,1,1,0,0,0|0,0,1]=3 2209 B15R1.778 C=CCN(C)CCOCc1ccccc1 269982a_100000225617_100000234347 [0,1,1,0,0,0|0,0,1]=3 2210 B15R1.778 C=CCN(C)CCOCc1ccccc1 269982a_100000687121_100000210623 [0,1,1,0,0,0|0,0,1]=3 2211 B15R1.778 C=CCN(C)CCSCc1ccccc1 2230a_100000225617_200011297719 [0,1,1,0,0,0|0,1,1]=4 2212 B15R1.778 C=CCN(C)CCSCc1ccccc1 269982a_100000225617_200011297719 [0,1,1,0,0,0|0,1,1]=4 2213 B15R1.778 CC(CCBr)OCOCc1ccccc1 34a_100012276601_100000763385 [0,1,1,0,0,0|2,0,0]=4 2214 B15R1.778 CC(CCO)SCOCc1ccccc1 62a_100000763385_100009893172 [0,1,1,0,0,0|2,0,0]=4 2215 B15R1.778 CC(CCO)SCOCc1ccccc1 62a_100009893172_100000763385 [0,1,1,0,0,0|2,0,0]=4 2216 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000211992_100000234347 [0,1,1,0,0,0|2,0,0]=4 2217 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210303 [0,1,1,0,0,0|2,0,0]=4 2218 B15R1.778 CCCC(C)CCOCc1ccccc1 34a_100011217855_100015291786 [0,1,1,0,0,0|1,0,0]=3 2219 B15R1.778 CCCC(C)CCOCc1ccccc1 7a_100011217855_100000211182 [0,1,1,0,0,0|1,0,0]=3 2220 B15R1.778 CCCC(C)CCOCc1ccccn1 34a_100011217855_100000721315 [0,1,1,0,0,0|2,0,0]=4 2221 B15R1.778 CCCC(C)CCOCc1ccccn1 7a_100011217855_100000721315 [0,1,1,0,0,0|2,0,0]=4 2222 B15R1.778 CCCC(C)CCOCc1cccnc1 34a_100011217855_100000733263 [0,1,1,0,0,0|2,0,0]=4 2223 B15R1.778 CCCC(C)CCOCc1cccnc1 7a_100011217855_100000741622 [0,1,1,0,0,0|2,0,0]=4 2224 B15R1.778 CCCC(C)CCOCc1ccncc1 7a_100011217855_100015193705 [0,1,1,0,0,0|2,0,0]=4 2225 B15R1.778 CCCC(C)NCOCc1ccccc1 2230a_100000741246_100000763385 [0,1,1,0,0,0|2,0,0]=4 2226 B15R1.778 CCCC(C)OCOCc1ccccc1 34a_100000764384_100000763385 [0,1,1,0,0,0|2,0,0]=4 2227 B15R1.778 CCCC(C)SCOCc1ccccc1 62a_100000763385_100000766640 [0,1,1,0,0,0|2,0,0]=4 2228 B15R1.778 CCCC(C)SCOCc1ccccc1 62a_100000766640_100000763385 [0,1,1,0,0,0|2,0,0]=4 2229 B15R1.778 CCCN(C)CCCCc1ccccc1 2230a_100000741445_100000210303 [0,1,1,0,0,0|1,0,0]=3 2230 B15R1.778 CCCN(C)CCCCc1ccccc1 2230a_100000747261_100000701786 [0,1,1,0,0,0|1,0,0]=3 2231 B15R1.778 CCCN(C)CCCCc1ccccc1 269982a_100000741445_100000210303 [0,1,1,0,0,0|1,0,0]=3 2232 B15R1.778 CCCN(C)CCCCc1ccccc1 269982a_100000747261_100000701786 [0,1,1,0,0,0|1,0,0]=3 2233 B15R1.778 CCCN(C)CCCCc1ccccc1 34a_100000741445_100000210303 [0,1,1,0,0,0|1,0,0]=3 2234 B15R1.778 CCCN(C)CCCCc1ccncc1 2230a_100000747261_100020630000 [0,1,1,0,0,0|2,0,0]=4 2235 B15R1.778 CCCN(C)CCCCc1ccncc1 269982a_100000747261_100020630000 [0,1,1,0,0,0|2,0,0]=4 2236 B15R1.778 CCCN(C)CCCOc1ccccc1 2230a_100000225623_100000210303 [0,1,1,0,0,0|2,0,0]=4 2237 B15R1.778 CCCN(C)CCCOc1ccccc1 2230a_100000747261_100000199009 [0,1,1,0,0,0|2,0,0]=4 2238 B15R1.778 CCCN(C)CCCOc1ccccc1 269982a_100000225623_100000210303 [0,1,1,0,0,0|2,0,0]=4 2239 B15R1.778 CCCN(C)CCCOc1ccccc1 269982a_100000747261_100000199009 [0,1,1,0,0,0|2,0,0]=4 2240 B15R1.778 CCCN(C)CCCSc1ccccc1 2230a_100000747261_200011203293 [0,1,1,0,0,0|2,0,0]=4 2241 B15R1.778 CCCN(C)CCCSc1ccccc1 2230a_100015183843_100000210303 [0,1,1,0,0,0|2,0,0]=4 2242 B15R1.778 CCCN(C)CCCSc1ccccc1 269982a_100000747261_200011203293 [0,1,1,0,0,0|2,0,0]=4 2243 B15R1.778 CCCN(C)CCCSc1ccccc1 269982a_100015183843_100000210303 [0,1,1,0,0,0|2,0,0]=4 2244 B15R1.778 CCCN(C)CCOCc1ccccc1 2230a_100000687121_100000210303 [0,1,1,0,0,0|0,0,0]=2 2245 B15R1.778 CCCN(C)CCOCc1ccccc1 2230a_100000747261_100000234347 [0,1,1,0,0,0|0,0,0]=2 2246 B15R1.778 CCCN(C)CCOCc1ccccc1 269982a_100000687121_100000210303 [0,1,1,0,0,0|0,0,0]=2 2247 B15R1.778 CCCN(C)CCOCc1ccccc1 269982a_100000747261_100000234347 [0,1,1,0,0,0|0,0,0]=2 2248 B15R1.778 CCCN(C)CCSCc1ccccc1 2230a_100000747261_200011297719 [0,1,1,0,0,0|0,1,0]=3 2249 B15R1.778 CCCN(C)CCSCc1ccccc1 269982a_100000747261_200011297719 [0,1,1,0,0,0|0,1,0]=3 2250 B15R1.778 CCC[C@H](N)CCOCc1ccccc1 34a_100015193777_100015291786 [0,1,1,0,0,0|2,0,0]=4 2251 B15R1.778 CCNC(=O)CCOCc1ccccc1 11a_100015525214_100000743319 [0,1,1,0,0,0|2,0,0]=4 2252 B15R1.778 CCNC(=O)CCOCc1ccccc1 240690a_100015525214_100000743319 [0,1,1,0,0,0|2,0,0]=4 2253 B15R1.778 CCNC(=O)CCOCc1ccccc1 527a_100015525214_100000743319 [0,1,1,0,0,0|2,0,0]=4 2254 B15R1.778 CCNC(=O)CCOCc1ccccc1 7a_100000210790_100000737597 [0,1,1,0,0,0|2,0,0]=4 2255 B15R1.778 CCNC(C)CCCCc1ccccc1 270004a_100015525214_200011485782 [0,1,1,0,0,0|2,0,0]=4 2256 B15R1.778 CCNC(C)CCOCc1ccccc1 270004a_100015525214_100011219826 [0,1,1,0,0,0|1,0,0]=3 2257 B15R1.778 CCOC(=O)CCOCc1ccccc1 34a_100000210790_100000765890 [0,1,1,0,0,0|2,0,0]=4 2258 B15R1.778 CCOC(=O)CCOCc1ccccc1 7a_100000210790_100011206558 [0,1,1,0,0,0|2,0,0]=4 2259 B15R1.778 CN(CC#N)CCCCc1ccccc1 2230a_100000741445_100011215382 [0,1,1,0,0,0|1,0,1]=4 2260 B15R1.778 CN(CC#N)CCCCc1ccccc1 2230a_100000748184_100000701786 [0,1,1,0,0,0|1,0,1]=4 2261 B15R1.778 CN(CC#N)CCCCc1ccccc1 269982a_100000741445_100011214920 [0,1,1,0,0,0|1,0,1]=4 2262 B15R1.778 CN(CC#N)CCOCc1ccccc1 2230a_100000687121_100011215382 [0,1,1,0,0,0|0,0,1]=3 2263 B15R1.778 CN(CC#N)CCOCc1ccccc1 2230a_100000748184_100000234347 [0,1,1,0,0,0|0,0,1]=3 2264 B15R1.778 CN(CC#N)CCOCc1ccccc1 269982a_100000687121_100011214920 [0,1,1,0,0,0|0,0,1]=3 2265 B15R1.778 CN(CC#N)CCSCc1ccccc1 2230a_100000748184_200011297719 [0,1,1,0,0,0|0,1,1]=4 2266 B15R1.778 CN(CC=O)CCCCc1ccccc1 2230a_100000741445_200015260668 [0,1,1,0,0,0|1,0,1]=4 2267 B15R1.778 CN(CC=O)CCCCc1ccccc1 269982a_100000741445_200015260668 [0,1,1,0,0,0|1,0,1]=4 2268 B15R1.778 CN(CC=O)CCCCc1ccccc1 34a_100000741445_200009817547 [0,1,1,0,0,0|1,0,1]=4 2269 B15R1.778 CN(CC=O)CCOCc1ccccc1 2230a_100000687121_200015260668 [0,1,1,0,0,0|0,0,1]=3 2270 B15R1.778 CN(CC=O)CCOCc1ccccc1 269982a_100000687121_200015260668 [0,1,1,0,0,0|0,0,1]=3 2271 B15R1.778 CN(CCF)CCCCc1ccccc1 2230a_100000741445_100011217306 [0,1,1,0,0,0|1,0,0]=3 2272 B15R1.778 CN(CCF)CCCCc1ccccc1 269982a_100000741445_100011217306 [0,1,1,0,0,0|1,0,0]=3 2273 B15R1.778 CN(CCF)CCCCc1ccccc1 34a_100000741445_100011217306 [0,1,1,0,0,0|1,0,0]=3 2274 B15R1.778 CN(CCF)CCCOc1ccccc1 2230a_100000225623_100011217306 [0,1,1,0,0,0|2,0,0]=4 2275 B15R1.778 CN(CCF)CCCOc1ccccc1 269982a_100000225623_100011217306 [0,1,1,0,0,0|2,0,0]=4 2276 B15R1.778 CN(CCF)CCCSc1ccccc1 2230a_100015183843_100011217306 [0,1,1,0,0,0|2,0,0]=4 2277 B15R1.778 CN(CCF)CCCSc1ccccc1 269982a_100015183843_100011217306 [0,1,1,0,0,0|2,0,0]=4 2278 B15R1.778 CN(CCF)CCOCc1ccccc1 2230a_100000687121_100011217306 [0,1,1,0,0,0|0,0,0]=2 2279 B15R1.778 CN(CCF)CCOCc1ccccc1 269982a_100000687121_100011217306 [0,1,1,0,0,0|0,0,0]=2 2280 B15R1.778 CN(CCO)CCCCc1ccccc1 2230a_100000210263_100000701786 [0,1,1,0,0,0|1,0,0]=3 2281 B15R1.778 CN(CCO)CCCCc1ccccc1 2230a_100000741445_100000211926 [0,1,1,0,0,0|1,0,0]=3 2282 B15R1.778 CN(CCO)CCCCc1ccccc1 269982a_100000210263_100000701786 [0,1,1,0,0,0|1,0,0]=3 2283 B15R1.778 CN(CCO)CCCCc1ccccc1 269982a_100000741445_100000211926 [0,1,1,0,0,0|1,0,0]=3 2284 B15R1.778 CN(CCO)CCCCc1ccccc1 34a_100000741445_100000211926 [0,1,1,0,0,0|1,0,0]=3 2285 B15R1.778 CN(CCO)CCCCc1ccncc1 2230a_100000210263_100020630000 [0,1,1,0,0,0|2,0,0]=4 2286 B15R1.778 CN(CCO)CCCCc1ccncc1 269982a_100000210263_100020630000 [0,1,1,0,0,0|2,0,0]=4 2287 B15R1.778 CN(CCO)CCCOc1ccccc1 2230a_100000210263_100000199009 [0,1,1,0,0,0|2,0,0]=4 2288 B15R1.778 CN(CCO)CCCOc1ccccc1 2230a_100000225623_100000211926 [0,1,1,0,0,0|2,0,0]=4 2289 B15R1.778 CN(CCO)CCCOc1ccccc1 269982a_100000210263_100000199009 [0,1,1,0,0,0|2,0,0]=4 2290 B15R1.778 CN(CCO)CCCOc1ccccc1 269982a_100000225623_100000211926 [0,1,1,0,0,0|2,0,0]=4 2291 B15R1.778 CN(CCO)CCCSc1ccccc1 2230a_100000210263_200011203293 [0,1,1,0,0,0|2,0,0]=4 2292 B15R1.778 CN(CCO)CCCSc1ccccc1 2230a_100015183843_100000211926 [0,1,1,0,0,0|2,0,0]=4 2293 B15R1.778 CN(CCO)CCCSc1ccccc1 269982a_100000210263_200011203293 [0,1,1,0,0,0|2,0,0]=4 2294 B15R1.778 CN(CCO)CCCSc1ccccc1 269982a_100015183843_100000211926 [0,1,1,0,0,0|2,0,0]=4 2295 B15R1.778 CN(CCO)CCOCc1ccccc1 2230a_100000210263_100000234347 [0,1,1,0,0,0|0,0,0]=2 2296 B15R1.778 CN(CCO)CCOCc1ccccc1 2230a_100000687121_100000211926 [0,1,1,0,0,0|0,0,0]=2 2297 B15R1.778 CN(CCO)CCOCc1ccccc1 269982a_100000210263_100000234347 [0,1,1,0,0,0|0,0,0]=2 2298 B15R1.778 CN(CCO)CCOCc1ccccc1 269982a_100000687121_100000211926 [0,1,1,0,0,0|0,0,0]=2 2299 B15R1.778 CN(CCO)CCSCc1ccccc1 2230a_100000210263_200011297719 [0,1,1,0,0,0|0,1,0]=3 2300 B15R1.778 CN(CCO)CCSCc1ccccc1 269982a_100000210263_200011297719 [0,1,1,0,0,0|0,1,0]=3 2301 B15R1.778 COCC(=O)CCOCc1ccccc1 1458a_100000210968_100000234347 [0,1,1,0,0,0|2,0,0]=4 2302 B15R1.778 COCC(C)SCOCc1ccccc1 62a_100000763385_100000765312 [0,1,1,0,0,0|2,0,0]=4 2303 B15R1.778 COCC(C)SCOCc1ccccc1 62a_100000765312_100000763385 [0,1,1,0,0,0|2,0,0]=4 2304 B15R1.778 COCN(C)CCCCc1ccccc1 2230a_100000741445_100000766300 [0,1,1,0,0,0|1,0,0]=3 2305 B15R1.778 COCN(C)CCCCc1ccccc1 269982a_100000741445_100000766300 [0,1,1,0,0,0|1,0,0]=3 2306 B15R1.778 COCN(C)CCCOc1ccccc1 2230a_100000225623_100000766300 [0,1,1,0,0,0|2,0,0]=4 2307 B15R1.778 COCN(C)CCCOc1ccccc1 269982a_100000225623_100000766300 [0,1,1,0,0,0|2,0,0]=4 2308 B15R1.778 COCN(C)CCCSc1ccccc1 2230a_100015183843_100000766300 [0,1,1,0,0,0|2,0,0]=4 2309 B15R1.778 COCN(C)CCCSc1ccccc1 269982a_100015183843_100000766300 [0,1,1,0,0,0|2,0,0]=4 2310 B15R1.778 COCN(C)CCOCc1ccccc1 2230a_100000687121_100000766300 [0,1,1,0,0,0|0,0,0]=2 2311 B15R1.778 COCN(C)CCOCc1ccccc1 269982a_100000687121_100000766300 [0,1,1,0,0,0|0,0,0]=2 2312 B15R1.778 COC[C@@H](C)NCOCc1ccccc1 2230a_100000764878_100000763385 [0,1,1,0,0,0|2,0,0]=4 2313 B15R1.778 COC[C@@H](C)OCOCc1ccccc1 34a_100011934205_100000763385 [0,1,1,0,0,0|2,0,0]=4 2314 B15R1.778 CSCC(=O)CCOCc1ccccc1 1458a_100000184570_100000234347 [0,1,1,0,0,0|2,0,0]=4 2315 B15R1.778 CSCN(C)CCCCc1ccccc1 2230a_100000741445_100011218213 [0,1,1,0,0,0|1,0,0]=3 2316 B15R1.778 CSCN(C)CCCCc1ccccc1 269982a_100000741445_100011218213 [0,1,1,0,0,0|1,0,0]=3 2317 B15R1.778 CSCN(C)CCCCc1ccccc1 34a_100000741445_100011218213 [0,1,1,0,0,0|1,0,0]=3 2318 B15R1.778 CSCN(C)CCCOc1ccccc1 2230a_100000225623_100011218213 [0,1,1,0,0,0|2,0,0]=4 2319 B15R1.778 CSCN(C)CCCOc1ccccc1 269982a_100000225623_100011218213 [0,1,1,0,0,0|2,0,0]=4 2320 B15R1.778 CSCN(C)CCCSc1ccccc1 2230a_100015183843_100011218213 [0,1,1,0,0,0|2,0,0]=4 2321 B15R1.778 CSCN(C)CCCSc1ccccc1 269982a_100015183843_100011218213 [0,1,1,0,0,0|2,0,0]=4 2322 B15R1.778 CSCN(C)CCOCc1ccccc1 2230a_100000687121_100011218213 [0,1,1,0,0,0|0,0,0]=2 2323 B15R1.778 CSCN(C)CCOCc1ccccc1 269982a_100000687121_100011218213 [0,1,1,0,0,0|0,0,0]=2 2324 B15R1.778 C[C@H](CCO)NCOCc1ccccc1 2230a_100000706166_100000763385 [0,1,1,0,0,0|2,0,0]=4 2325 B15R1.778 C[C@H](CCO)NCOCc1ccccc1 34a_100000706166_100000763385 [0,1,1,0,0,0|2,0,0]=4 2326 B15R1.778 O=C(CCF)CCOCc1ccccc1 1458a_100000743319_100011217306 [0,1,1,0,0,0|2,0,0]=4 2327 B15R1.778 O=C(CCO)CCOCc1ccccc1 1458a_100000743319_100000211926 [0,1,1,0,0,0|2,0,0]=4 2328 B15R1.778 O=C(CCO)CCOCc1ccccc1 1458a_100011216618_100000234347 [0,1,1,0,0,0|2,0,0]=4 2329 B15R1.942 CCC(C)CCNCc1cccc(c1)Br 207a_100020591266_100000210085 [0,1,1,0,0,0|2,0,0]=4 2330 B15R1.942 CCC(C)CCNCc1cccc(c1)Br 2230a_100020591266_100000698116 [0,1,1,0,0,0|2,0,0]=4 2331 B15R1.942 CCC(C)CCNCc1cccc(c1)Br 270004a_100020591266_100000210085 [0,1,1,0,0,0|2,0,0]=4 2332 B15R1.942 CCC(C)CCNCc1cccc(c1)C 207a_100020591266_100000211157 [0,1,1,0,0,0|2,0,0]=4 2333 B15R1.942 CCC(C)CCNCc1cccc(c1)C 2230a_100020591266_100000211840 [0,1,1,0,0,0|2,0,0]=4 2334 B15R1.942 CCC(C)CCNCc1cccc(c1)C 270004a_100020591266_100000211157 [0,1,1,0,0,0|2,0,0]=4 2335 B15R1.942 CCC(C)CCNCc1cccc(c1)Cl 207a_100020591266_100000210801 [0,1,1,0,0,0|2,0,0]=4 2336 B15R1.942 CCC(C)CCNCc1cccc(c1)Cl 2230a_100020591266_100000181238 [0,1,1,0,0,0|2,0,0]=4 2337 B15R1.942 CCC(C)CCNCc1cccc(c1)Cl 270004a_100020591266_100000210801 [0,1,1,0,0,0|2,0,0]=4 2338 B15R1.942 CCC(C)CCNCc1cccc(c1)F 207a_100020591266_100000210812 [0,1,1,0,0,0|2,0,0]=4 2339 B15R1.942 CCC(C)CCNCc1cccc(c1)F 2230a_100020591266_100000230114 [0,1,1,0,0,0|2,0,0]=4 2340 B15R1.942 CCC(C)CCNCc1cccc(c1)F 270004a_100020591266_100000210812 [0,1,1,0,0,0|2,0,0]=4 2341 B15R1.942 CCC(C)CCNCc1cccc(c1)I 207a_100020591266_100000014684 [0,1,1,0,0,0|2,0,0]=4 2342 B15R1.942 CCC(C)CCNCc1cccc(c1)I 2230a_100020591266_100011218688 [0,1,1,0,0,0|2,0,0]=4 2343 B15R1.942 CCC(C)CCNCc1cccc(c1)I 270004a_100020591266_100000014684 [0,1,1,0,0,0|2,0,0]=4 2344 B15R1.942 CCC(C)CCNCc1cccc(c1)O 207a_100020591266_100000188321 [0,1,1,0,0,0|2,0,0]=4 2345 B15R1.942 CCC(C)CCNCc1cccc(c1)O 2230a_100020591266_100011660834 [0,1,1,0,0,0|2,0,0]=4 2346 B15R1.942 CCC(C)CCNCc1cccc(c1)O 270004a_100020591266_100000188321 [0,1,1,0,0,0|2,0,0]=4 2347 B15R1.942 CCC(C)CCOCc1cc(ccn1)Br 7a_100011215188_100010173614 [0,1,1,0,0,0|2,0,0]=4 2348 B15R1.942 CCC(C)CCOCc1cc(ccn1)C 7a_100011215188_100000718516 [0,1,1,0,0,0|2,0,0]=4 2349 B15R1.942 CCC(C)CCOCc1cc(ccn1)Cl 7a_100011215188_100016988179 [0,1,1,0,0,0|2,0,0]=4 2350 B15R1.942 CCC(C)CCOCc1cccc(c1)Br 7a_100011215188_100000211773 [0,1,1,0,0,0|1,0,0]=3 2351 B15R1.942 CCC(C)CCOCc1cccc(c1)C 7a_100011215188_100000211840 [0,1,1,0,0,0|1,0,0]=3 2352 B15R1.942 CCC(C)CCOCc1cccc(c1)Cl 7a_100011215188_100000187163 [0,1,1,0,0,0|1,0,0]=3 2353 B15R1.942 CCC(C)CCOCc1cccc(c1)F 7a_100011215188_100000230114 [0,1,1,0,0,0|1,0,0]=3 2354 B15R1.942 CCC(C)CCOCc1cccc(c1)I 7a_100011215188_100011218688 [0,1,1,0,0,0|1,0,0]=3 2355 B15R1.942 CCC(C)CCOCc1cccc(c1)O 7a_100011215188_100000084143 [0,1,1,0,0,0|1,0,0]=3 2356 B15R1.942 CCC(C)CCOCc1cccc(n1)Br 7a_100011215188_100009889011 [0,1,1,0,0,0|2,0,0]=4 2357 B15R1.942 CCC(C)CCOCc1cccc(n1)C 7a_100011215188_100000757606 [0,1,1,0,0,0|2,0,0]=4 2358 B15R1.942 CCC(C)CCOCc1cccc(n1)Cl 7a_100011215188_100000086093 [0,1,1,0,0,0|2,0,0]=4 2359 B15R1.942 CCC(C)CCOCc1cccc(n1)F 7a_100011215188_100009819644 [0,1,1,0,0,0|2,0,0]=4 2360 B15R1.942 CCC(C)CCOCc1ccnc(c1)Br 7a_100011215188_100010254460 [0,1,1,0,0,0|2,0,0]=4 2361 B15R1.942 CCC(C)CCOCc1ccnc(c1)C 7a_100011215188_200020672517 [0,1,1,0,0,0|2,0,0]=4 2362 B15R1.942 CCC(C)CCOCc1ccnc(c1)Cl 7a_100011215188_100000764220 [0,1,1,0,0,0|2,0,0]=4 2363 B15R1.942 CCC(C)CCOCc1cncc(c1)Br 7a_100011215188_100000738771 [0,1,1,0,0,0|2,0,0]=4 2364 B15R1.942 CCC(C)CCOCc1cncc(c1)C 7a_100011215188_100000716715 [0,1,1,0,0,0|2,0,0]=4 2365 B15R1.942 CCC(C)CCOCc1cncc(c1)Cl 7a_100011215188_100016992070 [0,1,1,0,0,0|2,0,0]=4 2366 B15R1.942 CCC(C)CCOCc1cncc(c1)F 7a_100011215188_100000725299 [0,1,1,0,0,0|2,0,0]=4 2367 B15R1.942 CCN(C)CCCNc1cccc(c1)C 2230a_100000188690_100015186262 [0,1,1,0,0,0|2,0,0]=4 2368 B15R1.942 CCN(C)CCCOc1cccc(c1)Br 7a_100000210342_100015186262 [0,1,1,0,0,0|2,0,0]=4 2369 B15R1.942 CCN(C)CCCOc1cccc(c1)C 2230a_100000225621_100000212303 [0,1,1,0,0,0|2,0,0]=4 2370 B15R1.942 CCN(C)CCCOc1cccc(c1)C 2230a_100000225758_100000210202 [0,1,1,0,0,0|2,0,0]=4 2371 B15R1.942 CCN(C)CCCOc1cccc(c1)C 269982a_100000225621_100000212303 [0,1,1,0,0,0|2,0,0]=4 2372 B15R1.942 CCN(C)CCCOc1cccc(c1)C 269982a_100000225758_100000204670 [0,1,1,0,0,0|2,0,0]=4 2373 B15R1.942 CCN(C)CCCOc1cccc(c1)C 34a_100000225758_100000210202 [0,1,1,0,0,0|2,0,0]=4 2374 B15R1.942 CCN(C)CCCOc1cccc(c1)C 7a_100000210337_100015186262 [0,1,1,0,0,0|2,0,0]=4 2375 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 2230a_100000225621_100000742658 [0,1,1,0,0,0|2,0,0]=4 2376 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 2230a_100000742927_100000210202 [0,1,1,0,0,0|2,0,0]=4 2377 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 269982a_100000225621_100000742658 [0,1,1,0,0,0|2,0,0]=4 2378 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 269982a_100000742927_100000204670 [0,1,1,0,0,0|2,0,0]=4 2379 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 34a_100000742927_100000210202 [0,1,1,0,0,0|2,0,0]=4 2380 B15R1.942 CCN(C)CCCOc1cccc(c1)Cl 7a_100000210295_100015186262 [0,1,1,0,0,0|2,0,0]=4 2381 B15R1.942 CCN(C)CCCOc1cccc(c1)F 7a_100000210426_100015186262 [0,1,1,0,0,0|2,0,0]=4 2382 B15R1.942 CCN(C)CCCOc1cccc(c1)I 7a_100000211634_100015186262 [0,1,1,0,0,0|2,0,0]=4 2383 B15R1.942 CCN(C)CCCSc1cccc(c1)Br 62a_100000691529_100015186262 [0,1,1,0,0,0|2,0,0]=4 2384 B15R1.942 CCN(C)CCCSc1cccc(c1)C 62a_100011215228_100015186262 [0,1,1,0,0,0|2,0,0]=4 2385 B15R1.942 CCN(C)CCCSc1cccc(c1)Cl 62a_100000699651_100015186262 [0,1,1,0,0,0|2,0,0]=4 2386 B15R1.942 CCN(C)CCCSc1cccc(c1)F 62a_100000685547_100015186262 [0,1,1,0,0,0|2,0,0]=4 2387 B15R1.942 CCN(C)CCCSc1cccc(c1)N 62a_100000210019_100015186262 [0,1,1,0,0,0|2,0,0]=4 2388 B15R1.942 CCN(C)CCCSc1cccc(c1)[S] 62a_114929384022_100015186262 [0,1,1,0,0,0|2,0,0]=4 2389 B15R1.942 COC(C)CCOCc1cccc(c1)Br 7a_100000764861_100000211773 [0,1,1,0,0,0|2,0,0]=4 2390 B15R1.942 COC(C)CCOCc1cccc(c1)C 7a_100000764861_100000211840 [0,1,1,0,0,0|2,0,0]=4 2391 B15R1.942 COC(C)CCOCc1cccc(c1)Cl 7a_100000764861_100000187163 [0,1,1,0,0,0|2,0,0]=4 2392 B15R1.942 COC(C)CCOCc1cccc(c1)F 7a_100000764861_100000230114 [0,1,1,0,0,0|2,0,0]=4 2393 B15R1.942 COC(C)CCOCc1cccc(c1)I 7a_100000764861_100011218688 [0,1,1,0,0,0|2,0,0]=4 2394 B15R1.942 COC(C)CCOCc1cccc(c1)O 7a_100000764861_100000084143 [0,1,1,0,0,0|2,0,0]=4 2395 B15R1.959 CCC(C)CCNC(C)c1ccccc1 2230a_100020591266_100000230085 [0,1,1,0,0,0|2,0,0]=4 2396 B15R1.959 CCC(C)CCNC(C)c1ccccc1 269862a_100020591266_100000185851 [0,1,1,0,0,0|2,0,0]=4 2397 B15R1.959 CCC(C)CCOC(C)c1ccccc1 7a_100011215188_100000230085 [0,1,1,0,0,0|1,0,0]=3 2398 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100015186262 [0,1,1,0,0,0|1,0,1]=4 2399 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 2230a_100000225621_100000211006 [0,1,1,0,0,0|1,0,1]=4 2400 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 269982a_100000225621_100000211006 [0,1,1,0,0,0|1,0,1]=4 2401 B15R1.959 CCN(C)CCCN(C)c1ccccc1 2230a_100000210012_100015186262 [0,1,1,0,0,0|2,0,0]=4 2402 B15R1.959 CCN(C)CCCN(C)c1ccccc1 269982a_100000210012_100015186262 [0,1,1,0,0,0|2,0,0]=4 2403 B15R1.959 CCN(C)CCNC(=O)c1ccccc1 269982a_100000225621_200011215302 [0,1,1,0,0,0|1,0,1]=4 2404 B15R1.959 CCN(C)CCOC(=O)c1ccccc1 269982a_100000225621_100009812718 [0,1,1,0,0,0|0,0,1]=3 2405 B15R1.959 COC(C)CCOC(C)c1ccccc1 7a_100000764861_100000230085 [0,1,1,0,0,0|2,0,0]=4 2406 B15R1.964 CCC(C)CCC(=O)Cc1ccccc1 1458a_100000701222_100015291786 [0,1,1,0,0,0|2,0,0]=4 2407 B15R1.964 CCN(C)CCC(=O)Cc1ccccc1 1458a_100000755305_100015291786 [0,1,1,0,0,0|1,0,0]=3 2408 B15R1.964 CCN(C)CCC(=O)Cc1ccccn1 1458a_100000755305_100000721315 [0,1,1,0,0,0|2,0,0]=4 2409 B15R1.964 CCN(C)CCC(=O)Cc1cccnc1 1458a_100000755305_100000733263 [0,1,1,0,0,0|2,0,0]=4 2410 B15R1.964 CCN(C)CCC(=O)Cc1ccncc1 1458a_100000755305_100000705612 [0,1,1,0,0,0|2,0,0]=4 2411 B15R1.964 CCN(C)CCC(=O)Nc1ccccc1 2230a_100000225621_100000242058 [0,1,1,0,0,0|2,0,0]=4 2412 B15R1.964 CCN(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000755305 [0,1,1,0,0,0|2,0,0]=4 2413 B15R1.964 CCN(C)CCC(=O)Nc1ccccc1 269982a_100000225621_100000242058 [0,1,1,0,0,0|2,0,0]=4 2414 B15R1.964 CCN(C)CCC(=O)Oc1ccccc1 2230a_100000225621_200000035796 [0,1,1,0,0,0|2,0,0]=4 2415 B15R1.964 CCN(C)CCC(=O)Oc1ccccc1 269982a_100000225621_200000035796 [0,1,1,0,0,0|2,0,0]=4 2416 B15R1.964 CCN(C)CCN(C)Cc1ccccc1 2230a_100000225621_100015196923 [0,1,1,0,0,0|1,0,0]=3 2417 B15R1.964 CCN(C)CCN(C)Cc1ccccc1 2230a_100011233411_100000210202 [0,1,1,0,0,0|1,0,0]=3 2418 B15R1.964 CCN(C)CCN(C)Cc1ccccc1 269982a_100000225621_100015196923 [0,1,1,0,0,0|1,0,0]=3 2419 B15R1.964 CCN(C)CCN(C)Cc1ccccc1 269982a_100011233411_100000204670 [0,1,1,0,0,0|1,0,0]=3 2420 B15R1.964 CN(CF)CCN(C)Cc1ccccc1 269982a_100011233411_100015361967 [0,1,1,0,0,0|2,0,0]=4 2421 B15R1.1091 CCC(C)CCNCc1ccccc1Br 207a_100020591266_100000211189 [0,1,1,0,0,0|2,0,0]=4 2422 B15R1.1091 CCC(C)CCNCc1ccccc1Br 2230a_100020591266_100000184730 [0,1,1,0,0,0|2,0,0]=4 2423 B15R1.1091 CCC(C)CCNCc1ccccc1Br 270004a_100020591266_100000211189 [0,1,1,0,0,0|2,0,0]=4 2424 B15R1.1091 CCC(C)CCNCc1ccccc1C 207a_100020591266_100000211143 [0,1,1,0,0,0|2,0,0]=4 2425 B15R1.1091 CCC(C)CCNCc1ccccc1C 2230a_100020591266_100000211839 [0,1,1,0,0,0|2,0,0]=4 2426 B15R1.1091 CCC(C)CCNCc1ccccc1C 270004a_100020591266_100000211143 [0,1,1,0,0,0|2,0,0]=4 2427 B15R1.1091 CCC(C)CCNCc1ccccc1Cl 207a_100020591266_100000210073 [0,1,1,0,0,0|2,0,0]=4 2428 B15R1.1091 CCC(C)CCNCc1ccccc1Cl 2230a_100020591266_100000187162 [0,1,1,0,0,0|2,0,0]=4 2429 B15R1.1091 CCC(C)CCNCc1ccccc1Cl 270004a_100020591266_100000210073 [0,1,1,0,0,0|2,0,0]=4 2430 B15R1.1091 CCC(C)CCNCc1ccccc1F 207a_100020591266_100000210811 [0,1,1,0,0,0|2,0,0]=4 2431 B15R1.1091 CCC(C)CCNCc1ccccc1F 2230a_100020591266_100000211605 [0,1,1,0,0,0|2,0,0]=4 2432 B15R1.1091 CCC(C)CCNCc1ccccc1F 270004a_100020591266_100000210811 [0,1,1,0,0,0|2,0,0]=4 2433 B15R1.1091 CCC(C)CCNCc1ccccc1I 207a_100020591266_100000010305 [0,1,1,0,0,0|2,0,0]=4 2434 B15R1.1091 CCC(C)CCNCc1ccccc1I 2230a_100020591266_100011215278 [0,1,1,0,0,0|2,0,0]=4 2435 B15R1.1091 CCC(C)CCNCc1ccccc1I 270004a_100020591266_100000010305 [0,1,1,0,0,0|2,0,0]=4 2436 B15R1.1091 CCC(C)CCOCc1ccccc1Br 7a_100011215188_100000184730 [0,1,1,0,0,0|1,0,0]=3 2437 B15R1.1091 CCC(C)CCOCc1ccccc1C 7a_100011215188_100000211839 [0,1,1,0,0,0|1,0,0]=3 2438 B15R1.1091 CCC(C)CCOCc1ccccc1Cl 7a_100011215188_100000187162 [0,1,1,0,0,0|1,0,0]=3 2439 B15R1.1091 CCC(C)CCOCc1ccccc1F 7a_100011215188_100000211605 [0,1,1,0,0,0|1,0,0]=3 2440 B15R1.1091 CCC(C)CCOCc1ccccc1I 7a_100011215188_100011215278 [0,1,1,0,0,0|1,0,0]=3 2441 B15R1.1091 CCC(C)CCOCc1cccnc1Br 7a_100011215188_100010140945 [0,1,1,0,0,0|2,0,0]=4 2442 B15R1.1091 CCC(C)CCOCc1cccnc1C 7a_100011215188_100000732876 [0,1,1,0,0,0|2,0,0]=4 2443 B15R1.1091 CCC(C)CCOCc1cccnc1Cl 7a_100011215188_100000045678 [0,1,1,0,0,0|2,0,0]=4 2444 B15R1.1091 CCC(C)CCOCc1cccnc1F 7a_100011215188_100000099810 [0,1,1,0,0,0|2,0,0]=4 2445 B15R1.1091 CCC(C)CCOCc1ccncc1C 7a_100011215188_100020672808 [0,1,1,0,0,0|2,0,0]=4 2446 B15R1.1091 CCC(C)CCOCc1ccncc1Cl 7a_100011215188_100000763264 [0,1,1,0,0,0|2,0,0]=4 2447 B15R1.1091 CCC(C)CCOCc1cnccc1C 7a_100011215188_100000690890 [0,1,1,0,0,0|2,0,0]=4 2448 B15R1.1091 CCC(C)CCOCc1ncccc1Br 7a_100011215188_100025702911 [0,1,1,0,0,0|2,0,0]=4 2449 B15R1.1091 CCC(C)CCOCc1ncccc1C 7a_100011215188_100000696600 [0,1,1,0,0,0|2,0,0]=4 2450 B15R1.1091 CCC(C)CCOCc1ncccc1Cl 7a_100011215188_100000099807 [0,1,1,0,0,0|2,0,0]=4 2451 B15R1.1091 CCC(C)CCOCc1ncccc1F 7a_100011215188_100000104219 [0,1,1,0,0,0|2,0,0]=4 2452 B15R1.1091 CCC(C)CCOCc1ncccc1O 7a_100011215188_200020655725 [0,1,1,0,0,0|2,0,0]=4 2453 B15R1.1091 CCN(C)CCCOc1ccccc1Br 2230a_100000225621_200011259276 [0,1,1,0,0,0|2,0,0]=4 2454 B15R1.1091 CCN(C)CCCOc1ccccc1Br 2230a_100015186278_100000210202 [0,1,1,0,0,0|2,0,0]=4 2455 B15R1.1091 CCN(C)CCCOc1ccccc1Br 269982a_100000225621_200011259276 [0,1,1,0,0,0|2,0,0]=4 2456 B15R1.1091 CCN(C)CCCOc1ccccc1Br 269982a_100015186278_100000204670 [0,1,1,0,0,0|2,0,0]=4 2457 B15R1.1091 CCN(C)CCCOc1ccccc1Br 7a_100000181306_100015186262 [0,1,1,0,0,0|2,0,0]=4 2458 B15R1.1091 CCN(C)CCCOc1ccccc1C 2230a_100000225621_100000742659 [0,1,1,0,0,0|2,0,0]=4 2459 B15R1.1091 CCN(C)CCCOc1ccccc1C 2230a_100000742905_100000210202 [0,1,1,0,0,0|2,0,0]=4 2460 B15R1.1091 CCN(C)CCCOc1ccccc1C 269982a_100000225621_100000742659 [0,1,1,0,0,0|2,0,0]=4 2461 B15R1.1091 CCN(C)CCCOc1ccccc1C 269982a_100000742905_100000204670 [0,1,1,0,0,0|2,0,0]=4 2462 B15R1.1091 CCN(C)CCCOc1ccccc1C 34a_100000742905_100000210202 [0,1,1,0,0,0|2,0,0]=4 2463 B15R1.1091 CCN(C)CCCOc1ccccc1C 7a_100000210338_100015186262 [0,1,1,0,0,0|2,0,0]=4 2464 B15R1.1091 CCN(C)CCCOc1ccccc1Cl 2230a_100011252689_100000210202 [0,1,1,0,0,0|2,0,0]=4 2465 B15R1.1091 CCN(C)CCCOc1ccccc1Cl 269982a_100011252689_100000204670 [0,1,1,0,0,0|2,0,0]=4 2466 B15R1.1091 CCN(C)CCCOc1ccccc1Cl 34a_100011252689_100000210202 [0,1,1,0,0,0|2,0,0]=4 2467 B15R1.1091 CCN(C)CCCOc1ccccc1Cl 7a_100000210172_100015186262 [0,1,1,0,0,0|2,0,0]=4 2468 B15R1.1091 CCN(C)CCCOc1ccccc1F 2230a_100000225621_100011203253 [0,1,1,0,0,0|2,0,0]=4 2469 B15R1.1091 CCN(C)CCCOc1ccccc1F 269982a_100000225621_100011203253 [0,1,1,0,0,0|2,0,0]=4 2470 B15R1.1091 CCN(C)CCCOc1ccccc1F 7a_100000210171_100015186262 [0,1,1,0,0,0|2,0,0]=4 2471 B15R1.1091 CCN(C)CCCOc1ccccc1I 7a_100000739446_100015186262 [0,1,1,0,0,0|2,0,0]=4 2472 B15R1.1091 CCN(C)CCCOc1ccccc1N 7a_100000185747_100015186262 [0,1,1,0,0,0|2,0,0]=4 2473 B15R1.1091 CCN(C)CCCSc1ccccc1Br 62a_100000695589_100015186262 [0,1,1,0,0,0|2,0,0]=4 2474 B15R1.1091 CCN(C)CCCSc1ccccc1C 62a_100000210755_100015186262 [0,1,1,0,0,0|2,0,0]=4 2475 B15R1.1091 CCN(C)CCCSc1ccccc1Cl 2230a_100000225621_100000750589 [0,1,1,0,0,0|2,0,0]=4 2476 B15R1.1091 CCN(C)CCCSc1ccccc1Cl 269982a_100000225621_100000750589 [0,1,1,0,0,0|2,0,0]=4 2477 B15R1.1091 CCN(C)CCCSc1ccccc1Cl 62a_100000764095_100015186262 [0,1,1,0,0,0|2,0,0]=4 2478 B15R1.1091 CCN(C)CCCSc1ccccc1F 62a_100011215700_100015186262 [0,1,1,0,0,0|2,0,0]=4 2479 B15R1.1091 CCN(C)CCCSc1ccccc1N 62a_100000210017_100015186262 [0,1,1,0,0,0|2,0,0]=4 2480 B15R1.1091 CCN(C)CCCSc1ccccc1O 62a_100000739446_100015186262 [0,1,1,0,0,0|2,0,0]=4 2481 B15R1.1091 COC(C)CCOCc1ccccc1Br 7a_100000764861_100000184730 [0,1,1,0,0,0|2,0,0]=4 2482 B15R1.1091 COC(C)CCOCc1ccccc1C 7a_100000764861_100000211839 [0,1,1,0,0,0|2,0,0]=4 2483 B15R1.1091 COC(C)CCOCc1ccccc1Cl 7a_100000764861_100000187162 [0,1,1,0,0,0|2,0,0]=4 2484 B15R1.1091 COC(C)CCOCc1ccccc1F 7a_100000764861_100000211605 [0,1,1,0,0,0|2,0,0]=4 2485 B15R1.1091 COC(C)CCOCc1ccccc1I 7a_100000764861_100011215278 [0,1,1,0,0,0|2,0,0]=4 2486 B15R1.1321 CCC(C)C(=O)COCc1ccccc1 1458a_100000230186_100000758301 [0,1,1,0,0,0|1,0,1]=4 2487 B15R1.1321 CCC(C)N(C)COCc1ccccc1 2230a_100000741768_100000763385 [0,1,1,0,0,0|2,0,0]=4 2488 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 11a_100000225621_100011207963 [0,1,1,0,0,0|1,0,1]=4 2489 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 1626a_100000225621_100011207963 [0,1,1,0,0,0|1,0,1]=4 2490 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 240690a_100000225621_100011207963 [0,1,1,0,0,0|1,0,1]=4 2491 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 527a_100000225621_100011207963 [0,1,1,0,0,0|1,0,1]=4 2492 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 2230a_100015324214_100000738999 [0,1,1,0,0,0|1,0,1]=4 2493 B15R1.1321 CCN(C)C(=O)CNCc1ccccc1 34a_100015324214_100000738999 [0,1,1,0,0,0|1,0,1]=4 2494 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 11a_100000225621_100000230186 [0,1,1,0,0,0|0,0,1]=3 2495 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 1626a_100000225621_100000230186 [0,1,1,0,0,0|0,0,1]=3 2496 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 240690a_100000225621_100000230186 [0,1,1,0,0,0|0,0,1]=3 2497 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 34a_100000210790_100000738999 [0,1,1,0,0,0|0,0,1]=3 2498 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 527a_100000225621_100000230186 [0,1,1,0,0,0|0,0,1]=3 2499 B15R1.1321 CCN(C)C(=O)COCc1ccccc1 7a_100000210790_100000738999 [0,1,1,0,0,0|0,0,1]=3 2500 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 11a_100000225621_100000150264 [0,1,1,0,0,0|0,1,1]=4 2501 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 1626a_100000225621_100000150264 [0,1,1,0,0,0|0,1,1]=4 2502 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 240690a_100000225621_100000150264 [0,1,1,0,0,0|0,1,1]=4 2503 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 527a_100000225621_100000150264 [0,1,1,0,0,0|0,1,1]=4 2504 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 62a_100000211182_100000738999 [0,1,1,0,0,0|0,1,1]=4 2505 B15R1.1321 CCN(C)C(=O)CSCc1ccccc1 62a_100000738999_100015291786 [0,1,1,0,0,0|0,1,1]=4 2506 B15R1.1321 CCN(C)C(C)CCCc1ccccc1 2230a_100000225621_200010759516 [0,1,1,0,0,0|1,0,0]=3 2507 B15R1.1321 CCN(C)C(C)CCCc1ccccc1 269982a_100000225621_200010759516 [0,1,1,0,0,0|1,0,0]=3 2508 B15R1.1321 CCN(C)C(C)COCc1ccccc1 7a_100000732741_100000211182 [0,1,1,0,0,0|0,0,0]=2 2509 B15R1.1321 CCN(C)C(C)COCc1ccccn1 7a_100000732741_100000721315 [0,1,1,0,0,0|1,0,0]=3 2510 B15R1.1321 CCN(C)C(C)COCc1cccnc1 7a_100000732741_100000741622 [0,1,1,0,0,0|1,0,0]=3 2511 B15R1.1321 CCN(C)C(C)COCc1cccnn1 7a_100000732741_100016990269 [0,1,1,0,0,0|2,0,0]=4 2512 B15R1.1321 CCN(C)C(C)COCc1ccncc1 7a_100000732741_100015193705 [0,1,1,0,0,0|1,0,0]=3 2513 B15R1.1321 CCN(C)C(C)COCc1cnccn1 7a_100000732741_100016995436 [0,1,1,0,0,0|2,0,0]=4 2514 B15R1.1321 CCN(C)C(C)COCc1cncnc1 7a_100000732741_100015196519 [0,1,1,0,0,0|2,0,0]=4 2515 B15R1.1321 CCN(C)C(C)COCc1ncccn1 7a_100000732741_100000703007 [0,1,1,0,0,0|2,0,0]=4 2516 B15R1.1321 CON(C)C(=O)COCc1ccccc1 7a_100000210790_100000764215 [0,1,1,0,0,0|1,0,1]=4 2517 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 11a_100000741445_100015343762 [0,1,1,0,0,0|1,0,1]=4 2518 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 1626a_100000741445_100015343762 [0,1,1,0,0,0|1,0,1]=4 2519 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 240690a_100000741445_100015343762 [0,1,1,0,0,0|1,0,1]=4 2520 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 527a_100000741445_100103153847 [0,1,1,0,0,0|1,0,1]=4 2521 B15R1.3664 CC(=O)N(C)CCOCc1ccccc1 11a_100000687121_100015343762 [0,1,1,0,0,0|0,0,1]=3 2522 B15R1.3664 CC(=O)N(C)CCOCc1ccccc1 1626a_100000687121_100015343762 [0,1,1,0,0,0|0,0,1]=3 2523 B15R1.3664 CC(=O)N(C)CCOCc1ccccc1 240690a_100000687121_100015343762 [0,1,1,0,0,0|0,0,1]=3 2524 B15R1.3664 CC(=O)N(C)CCOCc1ccccc1 527a_100000687121_100103153847 [0,1,1,0,0,0|0,0,1]=3 2525 B15R1.3664 CC(C)C(=O)CCOCc1ccccc1 1458a_100000210198_100000234347 [0,1,1,0,0,0|2,0,0]=4 2526 B15R1.3664 CC(C)C(=O)CCOCc1ccccc1 1458a_100000743319_100000210206 [0,1,1,0,0,0|2,0,0]=4 2527 B15R1.3664 CC(C)C(C)NCOCc1ccccc1 2230a_100000211541_100000763385 [0,1,1,0,0,0|2,0,0]=4 2528 B15R1.3664 CC(C)C(N)CCOCc1ccccc1 34a_100161115045_100015291786 [0,1,1,0,0,0|2,0,0]=4 2529 B15R1.3664 CC(C)N(C)CCCCc1ccccc1 2230a_100000741445_100000210206 [0,1,1,0,0,0|1,0,0]=3 2530 B15R1.3664 CC(C)N(C)CCCCc1ccccc1 269982a_100000741445_100000210206 [0,1,1,0,0,0|1,0,0]=3 2531 B15R1.3664 CC(C)N(C)CCCCc1ccccc1 269982a_200000211004_100000701786 [0,1,1,0,0,0|1,0,0]=3 2532 B15R1.3664 CC(C)N(C)CCCCc1ccccc1 34a_100000741445_100000210206 [0,1,1,0,0,0|1,0,0]=3 2533 B15R1.3664 CC(C)N(C)CCCCc1ccncc1 269982a_200000211004_100020630000 [0,1,1,0,0,0|2,0,0]=4 2534 B15R1.3664 CC(C)N(C)CCCOc1ccccc1 2230a_100000225623_100000210206 [0,1,1,0,0,0|2,0,0]=4 2535 B15R1.3664 CC(C)N(C)CCCOc1ccccc1 269982a_100000225623_100000210206 [0,1,1,0,0,0|2,0,0]=4 2536 B15R1.3664 CC(C)N(C)CCCOc1ccccc1 269982a_200000211004_100000199009 [0,1,1,0,0,0|2,0,0]=4 2537 B15R1.3664 CC(C)N(C)CCCSc1ccccc1 2230a_100015183843_100000210206 [0,1,1,0,0,0|2,0,0]=4 2538 B15R1.3664 CC(C)N(C)CCCSc1ccccc1 269982a_100015183843_100000210206 [0,1,1,0,0,0|2,0,0]=4 2539 B15R1.3664 CC(C)N(C)CCCSc1ccccc1 269982a_200000211004_200011203293 [0,1,1,0,0,0|2,0,0]=4 2540 B15R1.3664 CC(C)N(C)CCNCc1ccccc1 207a_100000749581_100015611070 [0,1,1,0,0,0|1,0,0]=3 2541 B15R1.3664 CC(C)N(C)CCNCc1ccccc1 270004a_100000749581_100015611070 [0,1,1,0,0,0|1,0,0]=3 2542 B15R1.3664 CC(C)N(C)CCNCc1ccccn1 207a_100000749581_100000209966 [0,1,1,0,0,0|2,0,0]=4 2543 B15R1.3664 CC(C)N(C)CCNCc1ccccn1 270004a_100000749581_100000209966 [0,1,1,0,0,0|2,0,0]=4 2544 B15R1.3664 CC(C)N(C)CCNCc1cccnc1 207a_100000749581_100000209961 [0,1,1,0,0,0|2,0,0]=4 2545 B15R1.3664 CC(C)N(C)CCNCc1cccnc1 270004a_100000749581_100000209961 [0,1,1,0,0,0|2,0,0]=4 2546 B15R1.3664 CC(C)N(C)CCNCc1ccncc1 207a_100000749581_100000186114 [0,1,1,0,0,0|2,0,0]=4 2547 B15R1.3664 CC(C)N(C)CCOCc1ccccc1 2230a_100000687121_100000210206 [0,1,1,0,0,0|0,0,0]=2 2548 B15R1.3664 CC(C)N(C)CCOCc1ccccc1 269982a_100000687121_100000210206 [0,1,1,0,0,0|0,0,0]=2 2549 B15R1.3664 CC(C)N(C)CCOCc1ccccc1 269982a_200000211004_100000234347 [0,1,1,0,0,0|0,0,0]=2 2550 B15R1.3664 CC(C)N(C)CCSCc1ccccc1 269982a_200000211004_200011297719 [0,1,1,0,0,0|0,1,0]=3 2551 B15R1.3664 CC(CCOCc1ccccc1)N(C)C 270004a_100102631434_100011219826 [0,1,1,0,0,0|2,0,0]=4 2552 B15R1.3664 CC(F)C(=O)CCOCc1ccccc1 1458a_100000062450_100000234347 [0,1,1,0,0,0|2,0,0]=4 2553 B15R1.3664 C[C@@H](O)C(=O)CCOCc1ccccc1 1458a_100000717761_100000234347 [0,1,1,0,0,0|2,0,0]=4 2554 B15R1.3664 C[C@H](O)C(=O)CCOCc1ccccc1 1458a_217856618621_100000234347 [0,1,1,0,0,0|2,0,0]=4 2555 B15R1.1353 COC(C(=O)N(C)C)c1ccc(cc1)Cl 11a_100102631434_100012350483 [0,1,1,0,0,0|1,0,1]=4 2556 B15R1.1353 COC(C(=O)N(C)C)c1ccc(cc1)Cl 1626a_100102631434_100012350483 [0,1,1,0,0,0|1,0,1]=4 2557 B15R1.1353 COC(C(=O)N(C)C)c1ccc(cc1)Cl 240690a_100102631434_100012350483 [0,1,1,0,0,0|1,0,1]=4 2558 B15R1.1353 COC(C(=O)N(C)C)c1ccc(cc1)Cl 527a_100102631434_100012350483 [0,1,1,0,0,0|1,0,1]=4 2559 B15R1.1365 COC(C(=O)N(C)C)c1cccc(c1)Cl 11a_100102631434_100012350482 [0,1,1,0,0,0|1,0,1]=4 2560 B15R1.1365 COC(C(=O)N(C)C)c1cccc(c1)Cl 1626a_100102631434_100012350482 [0,1,1,0,0,0|1,0,1]=4 2561 B15R1.1365 COC(C(=O)N(C)C)c1cccc(c1)Cl 240690a_100102631434_100012350482 [0,1,1,0,0,0|1,0,1]=4 2562 B15R1.1365 COC(C(=O)N(C)C)c1cccc(c1)Cl 527a_100102631434_100012350482 [0,1,1,0,0,0|1,0,1]=4 2563 B15R1.3037 CCN(c1ccccc1)C(C)(C)N(C)C 269982a_100000210013_217856628674 [0,1,1,0,0,0|2,0,0]=4 2564 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1C 11a_100102631434_100012277922 [0,1,1,0,0,0|1,0,1]=4 2565 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1C 1626a_100102631434_100012277922 [0,1,1,0,0,0|1,0,1]=4 2566 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1C 240690a_100102631434_100012277922 [0,1,1,0,0,0|1,0,1]=4 2567 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1C 527a_100102631434_100012277922 [0,1,1,0,0,0|1,0,1]=4 2568 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1F 11a_100102631434_100012277919 [0,1,1,0,0,0|1,0,1]=4 2569 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1F 1626a_100102631434_100012277919 [0,1,1,0,0,0|1,0,1]=4 2570 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1F 240690a_100102631434_100012277919 [0,1,1,0,0,0|1,0,1]=4 2571 B15R1.3963 COC(C(=O)N(C)C)c1ccccc1F 527a_100102631434_100012277919 [0,1,1,0,0,0|1,0,1]=4 2572 B15R2.17 CCN1CCCC(C1)c2ccccc2 2230a_100011236195_100000210202 [1,1,0,0,0,0|1,0,0]=3 2573 B15R2.17 CCN1CCCC(C1)c2ccccc2 269982a_100011236195_100000204670 [1,1,0,0,0,0|1,0,0]=3 2574 B15R2.17 CCN1CCCC(C1)c2ccccc2 34a_100011236195_100000210202 [1,1,0,0,0,0|1,0,0]=3 2575 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_100000210202 [1,1,0,0,0,0|0,0,0]=2 2576 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100000204670 [1,1,0,0,0,0|0,0,0]=2 2577 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100000210202 [1,1,0,0,0,0|0,0,0]=2 2578 B15R2.17 CNC1CCCC(C1)c2ccccc2 270004a_106832991635_100000718469 [1,1,0,0,0,0|2,0,0]=4 2579 B15R2.17 CNC1CCOC(C1)c2ccccc2 270004a_106832991635_100011986434 [1,1,0,0,0,0|1,0,0]=3 2580 B15R2.17 COC1CCOC(C1)c2ccccc2 34a_100000692292_200000210301 [1,1,0,0,0,0|1,0,0]=3 2581 B15R2.17 COC1CCOC(C1)c2ccccc2 7a_100000692292_200000210301 [1,1,0,0,0,0|1,0,0]=3 2582 B15R2.17 FCN1CCCC(C1)c2ccccc2 269982a_100011236195_100015361967 [1,1,0,0,0,0|1,0,0]=3 2583 B15R2.17 FCN1CCCC(C1)c2ccccc2 34a_100011236195_100015361967 [1,1,0,0,0,0|1,0,0]=3 2584 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100015361967 [1,1,0,0,0,0|0,0,0]=2 2585 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100015361967 [1,1,0,0,0,0|0,0,0]=2 2586 B15R2.17 [13CH3]OC1CCOC(C1)c2ccccc2 34a_100000692292_200025704644 [1,1,0,0,0,0|1,0,0]=3 2587 B15R2.17 [13CH3]OC1CCOC(C1)c2ccccc2 7a_100000692292_200025704644 [1,1,0,0,0,0|1,0,0]=3 2588 B15R2.28 CN1CCC[C@H](C1)c2ccc(cc2)Br 2230a_106439422950_200000210301 [1,1,0,0,0,0|1,0,0]=3 2589 B15R2.28 CN1CCC[C@H](C1)c2ccc(cc2)Br 269982a_106439422950_200000210301 [1,1,0,0,0,0|1,0,0]=3 2590 B15R2.28 CN1CCC[C@H](C1)c2ccc(cc2)Br 34a_106439422950_200000210301 [1,1,0,0,0,0|1,0,0]=3 2591 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 2230a_100000745233_200000210301 [1,1,0,0,0,0|0,0,0]=2 2592 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 269982a_100000745233_200000210301 [1,1,0,0,0,0|0,0,0]=2 2593 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 34a_100000745233_200000210301 [1,1,0,0,0,0|0,0,0]=2 2594 B15R2.28 [13CH3]N1CCC[C@H](C1)c2ccc(cc2)Br 2230a_106439422950_200025704644 [1,1,0,0,0,0|1,0,0]=3 2595 B15R2.28 [13CH3]N1CCC[C@H](C1)c2ccc(cc2)Br 269982a_106439422950_200025704644 [1,1,0,0,0,0|1,0,0]=3 2596 B15R2.28 [13CH3]N1CCC[C@H](C1)c2ccc(cc2)Br 34a_106439422950_200025704644 [1,1,0,0,0,0|1,0,0]=3 2597 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 2230a_100000745233_200025704644 [1,1,0,0,0,0|0,0,0]=2 2598 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 269982a_100000745233_200025704644 [1,1,0,0,0,0|0,0,0]=2 2599 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 34a_100000745233_200025704644 [1,1,0,0,0,0|0,0,0]=2 2600 B15R2.30 Cc1cccc(c1)C2CCCN(C2)C 2230a_100015187063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2601 B15R2.30 Cc1cccc(c1)C2CCCN(C2)C 269982a_100015187063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2602 B15R2.30 Cc1cccc(c1)C2CCCN(C2)C 34a_100015187063_200000210301 [1,1,0,0,0,0|1,0,0]=3 2603 B15R2.30 Cc1cccc(c1)C2CCCN(C2)[13CH3] 2230a_100015187063_200025704644 [1,1,0,0,0,0|1,0,0]=3 2604 B15R2.30 Cc1cccc(c1)C2CCCN(C2)[13CH3] 269982a_100015187063_200025704644 [1,1,0,0,0,0|1,0,0]=3 2605 B15R2.30 Cc1cccc(c1)C2CCCN(C2)[13CH3] 34a_100015187063_200025704644 [1,1,0,0,0,0|1,0,0]=3 2606 B15R2.33 CN1CCN(C(C1)c2ccccc2)C 2230a_100000212268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2607 B15R2.33 CN1CCN(C(C1)c2ccccc2)C 269982a_100000212268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2608 B15R2.33 CN1CCN(C(C1)c2ccccc2)[13CH3] 2230a_100000212268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2609 B15R2.33 CN1CCN(C(C1)c2ccccc2)[13CH3] 269982a_100000212268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2610 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200000210301 [1,1,0,0,0,0|1,0,0]=3 2611 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200000210301 [1,1,0,0,0,0|1,0,0]=3 2612 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200025704644 [1,1,0,0,0,0|1,0,0]=3 2613 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200025704644 [1,1,0,0,0,0|1,0,0]=3 2614 B15R2.21 CNC1CCCCC1c2ccccc2 270004a_106832991635_100000212245 [1,1,0,0,0,0|2,0,0]=4 2615 B15R2.21 CO[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_200000210301 [1,1,0,0,0,0|2,0,0]=4 2616 B15R2.21 CO[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_200000210301 [1,1,0,0,0,0|2,0,0]=4 2617 B15R2.21 [13CH3]O[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_200025704644 [1,1,0,0,0,0|2,0,0]=4 2618 B15R2.21 [13CH3]O[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_200025704644 [1,1,0,0,0,0|2,0,0]=4 2619 B15R2.38 CN1CCCCC1Cc2ccccc2 2230a_100000748602_200000210301 [0,0,1,1,0,0|1,0,0]=3 2620 B15R2.38 CN1CCCCC1Cc2ccccc2 269982a_100000748602_200000210301 [0,0,1,1,0,0|1,0,0]=3 2621 B15R2.38 CN1CCCCC1Cc2ccccc2 34a_100000748602_200000210301 [0,0,1,1,0,0|1,0,0]=3 2622 B15R2.38 CN1CCCCC1Cc2ccccn2 2230a_100011997240_200000210301 [0,0,1,1,0,0|2,0,0]=4 2623 B15R2.38 CN1CCCCC1Cc2ccccn2 269982a_100011997240_200000210301 [0,0,1,1,0,0|2,0,0]=4 2624 B15R2.38 CN1CCCCC1Cc2ccccn2 34a_100011997240_200000210301 [0,0,1,1,0,0|2,0,0]=4 2625 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200000210301 [0,0,1,1,0,0|0,0,0]=2 2626 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200000210301 [0,0,1,1,0,0|0,0,0]=2 2627 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200000210301 [0,0,1,1,0,0|0,0,0]=2 2628 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 2230a_100000748602_200025704644 [0,0,1,1,0,0|1,0,0]=3 2629 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 269982a_100000748602_200025704644 [0,0,1,1,0,0|1,0,0]=3 2630 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 34a_100000748602_200025704644 [0,0,1,1,0,0|1,0,0]=3 2631 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 2230a_100011997240_200025704644 [0,0,1,1,0,0|2,0,0]=4 2632 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 269982a_100011997240_200025704644 [0,0,1,1,0,0|2,0,0]=4 2633 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 34a_100011997240_200025704644 [0,0,1,1,0,0|2,0,0]=4 2634 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200025704644 [0,0,1,1,0,0|0,0,0]=2 2635 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200025704644 [0,0,1,1,0,0|0,0,0]=2 2636 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200025704644 [0,0,1,1,0,0|0,0,0]=2 2637 B15R2.64 CC(C[n+]1ccccc1)N2CCCC2 270004a_100000188435_100000034229 [0,0,1,1,0,0|2,0,0]=4 2638 B15R2.64 CC(C[n+]1ccccc1)N2CCSC2 270004a_100011215254_100000034229 [0,0,1,1,0,0|1,1,0]=4 2639 B15R2.64 CC(Cc1ccccc1)N2CC=CC2 269982a_100015195280_200011218536 [0,0,1,1,0,0|1,0,1]=4 2640 B15R2.64 CC(Cc1ccccc1)N2CCCC2 269982a_100000188435_200011218536 [0,0,1,1,0,0|1,0,0]=3 2641 B15R2.64 CC(Cc1ccccc1)N2CCSC2 269982a_100011215254_200011218536 [0,0,1,1,0,0|0,1,0]=3 2642 B15R2.64 CC(Cc1cccnc1)N2CCCC2 270004a_100000188435_100015187140 [0,0,1,1,0,0|2,0,0]=4 2643 B15R2.64 CC(Cc1cccnc1)N2CCSC2 270004a_100011215254_100015187140 [0,0,1,1,0,0|1,1,0]=4 2644 B15R2.64 CC(Cc1ccncc1)N2CCCC2 270004a_100000188435_100000238508 [0,0,1,1,0,0|2,0,0]=4 2645 B15R2.64 CC(Cc1ccncc1)N2CCSC2 270004a_100011215254_100000238508 [0,0,1,1,0,0|1,1,0]=4 2646 B15R2.64 CN(Cc1ccccc1)C2CCOC2 2230a_100000186898_100000731011 [0,0,1,1,0,0|2,0,0]=4 2647 B15R2.64 CN(Cc1ccccc1)C2CCOC2 2230a_100016988252_100015291786 [0,0,1,1,0,0|2,0,0]=4 2648 B15R2.64 CN(Cc1ccccc1)C2CCOC2 269982a_100000186898_100000731011 [0,0,1,1,0,0|2,0,0]=4 2649 B15R2.64 CN(Cc1ccccc1)C2CCOC2 269982a_100016988252_100000211182 [0,0,1,1,0,0|2,0,0]=4 2650 B15R2.64 CN(Cc1ccccc1)C2CCOC2 270004a_100000186898_100000752484 [0,0,1,1,0,0|2,0,0]=4 2651 B15R2.64 CN(Cc1ccccc1)C2CCOC2 270004a_100016988252_100015611070 [0,0,1,1,0,0|2,0,0]=4 2652 B15R2.64 CN(Cc1ccccc1)C2CCOC2 34a_100016988252_100015291786 [0,0,1,1,0,0|2,0,0]=4 2653 B15R2.596 CC(C[n+]1ccccc1)N2CC(C2)F 270004a_100000690557_100000034229 [0,0,1,1,0,0|2,0,0]=4 2654 B15R2.596 CC(Cc1ccccc1)N2CC(C2)F 269982a_100000690557_200011218536 [0,0,1,1,0,0|1,0,0]=3 2655 B15R2.596 CC(Cc1ccccc1)N2CC(C2)F 34a_100000690557_200011218536 [0,0,1,1,0,0|1,0,0]=3 2656 B15R2.596 CC(Cc1ccccc1)N2CC(C2)O 269982a_100000749847_200011218536 [0,0,1,1,0,0|0,0,0]=2 2657 B15R2.596 CC(Cc1cccnc1)N2CC(C2)F 270004a_100000690557_100015187140 [0,0,1,1,0,0|2,0,0]=4 2658 B15R2.596 CC(Cc1ccncc1)N2CC(C2)F 270004a_100000690557_100000238508 [0,0,1,1,0,0|2,0,0]=4 2659 B15R2.596 CC1CN(C1)C(C)C[n+]2ccccc2 270004a_100000702820_100000034229 [0,0,1,1,0,0|2,0,0]=4 2660 B15R2.596 CC1CN(C1)C(C)Cc2ccccc2 269982a_100000702820_200011218536 [0,0,1,1,0,0|1,0,0]=3 2661 B15R2.596 CC1CN(C1)C(C)Cc2ccccc2 34a_100000702820_200011218536 [0,0,1,1,0,0|1,0,0]=3 2662 B15R2.596 CC1CN(C1)C(C)Cc2cccnc2 270004a_100000702820_100015187140 [0,0,1,1,0,0|2,0,0]=4 2663 B15R2.596 CC1CN(C1)C(C)Cc2ccncc2 270004a_100000702820_100000238508 [0,0,1,1,0,0|2,0,0]=4 2664 B15R2.1342 O=C(CCO)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000211926 [0,0,1,1,0,0|2,0,0]=4 2665 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000038162 [0,0,1,1,0,0|1,0,1]=4 2666 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 34a_100000225692_100000753484 [0,0,1,1,0,0|1,0,1]=4 2667 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000184674 [0,0,1,1,0,0|1,0,1]=4 2668 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210623 [0,0,1,1,0,0|1,0,1]=4 2669 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 269982a_100000225617_100000753484 [0,0,1,1,0,0|1,0,1]=4 2670 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210623 [0,0,1,1,0,0|1,0,1]=4 2671 B15R2.1356 C=CCN(C)C1Cc2ccccc2C1 34a_100016990990_100015514636 [0,0,1,1,0,0|1,0,1]=4 2672 B15R2.1356 CC(CCO)N1Cc2ccccc2C1 2230a_100000752595_100009893172 [0,0,1,1,0,0|2,0,0]=4 2673 B15R2.1356 CC(CCO)N1Cc2ccccc2C1 269982a_100000752595_100009893172 [0,0,1,1,0,0|2,0,0]=4 2674 B15R2.1356 CC(CCO)N1Cc2ccccc2C1 34a_100000752595_100009893172 [0,0,1,1,0,0|2,0,0]=4 2675 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000210303 [0,0,1,1,0,0|1,0,0]=3 2676 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 269982a_100000747261_100000753484 [0,0,1,1,0,0|1,0,0]=3 2677 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000210303 [0,0,1,1,0,0|1,0,0]=3 2678 B15R2.1356 CCCN(C)C1Cc2ccccc2C1 34a_100016990990_100000210303 [0,0,1,1,0,0|1,0,0]=3 2679 B15R2.1356 CN(CC#N)C1Cc2ccccc2C1 2230a_100016990990_100011215382 [0,0,1,1,0,0|1,0,1]=4 2680 B15R2.1356 CN(CC#N)C1Cc2ccccc2C1 269982a_100016990990_100011214920 [0,0,1,1,0,0|1,0,1]=4 2681 B15R2.1356 CN(CC=O)C1Cc2ccccc2C1 2230a_100016990990_200015260668 [0,0,1,1,0,0|0,0,2]=4 2682 B15R2.1356 CN(CC=O)C1Cc2ccccc2C1 269982a_100016990990_200015260668 [0,0,1,1,0,0|0,0,2]=4 2683 B15R2.1356 CN(CC=O)C1Cc2ccccc2C1 34a_100016990990_200009817547 [0,0,1,1,0,0|0,0,2]=4 2684 B15R2.1356 CN(CCF)C1Cc2ccccc2C1 2230a_100016990990_100011217306 [0,0,1,1,0,0|1,0,0]=3 2685 B15R2.1356 CN(CCF)C1Cc2ccccc2C1 269982a_100016990990_100011217306 [0,0,1,1,0,0|1,0,0]=3 2686 B15R2.1356 CN(CCF)C1Cc2ccccc2C1 34a_100016990990_100011217306 [0,0,1,1,0,0|1,0,0]=3 2687 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 2230a_100016990990_100000211926 [0,0,1,1,0,0|0,0,0]=2 2688 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 269982a_100000210263_100000753484 [0,0,1,1,0,0|0,0,0]=2 2689 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 269982a_100016990990_100000211926 [0,0,1,1,0,0|0,0,0]=2 2690 B15R2.1356 CN(CCO)C1Cc2ccccc2C1 34a_100016990990_100000211926 [0,0,1,1,0,0|0,0,0]=2 2691 B15R2.1356 COCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000766300 [0,0,1,1,0,0|2,0,0]=4 2692 B15R2.1356 COCN(C)C1Cc2ccccc2C1 269982a_100016990990_100000766300 [0,0,1,1,0,0|2,0,0]=4 2693 B15R2.1356 CSCN(C)C1Cc2ccccc2C1 2230a_100016990990_100011218213 [0,0,1,1,0,0|2,0,0]=4 2694 B15R2.1356 CSCN(C)C1Cc2ccccc2C1 269982a_100016990990_100011218213 [0,0,1,1,0,0|2,0,0]=4 2695 B15R2.1356 CSCN(C)C1Cc2ccccc2C1 34a_100016990990_100011218213 [0,0,1,1,0,0|2,0,0]=4 2696 B15R2.1356 O=C(CCO)C1Cc2ccccc2C1 1458a_100000685393_100000211926 [0,0,1,1,0,0|2,0,0]=4 2697 B15R2.1356 O=C(CCO)C1Cc2ccccc2C1 1458a_100011216618_100000753484 [0,0,1,1,0,0|2,0,0]=4 2698 B15R2.16454 CC(C1CO1)N(C)Cc2ccccc2 270004a_100000186898_100000031964 [0,0,1,1,0,0|2,0,0]=4 2699 B15R2.16454 CC(C[n+]1ccccc1)N(C)C2CC2 270004a_100000226674_100000034229 [0,0,1,1,0,0|2,0,0]=4 2700 B15R2.16454 CC(Cc1ccccc1)C(=O)C2CO2 1458a_100000701028_200011218536 [0,0,1,1,0,0|2,0,0]=4 2701 B15R2.16454 CC(Cc1ccccc1)N(C)C2CC2 269982a_100000226674_200011218536 [0,0,1,1,0,0|1,0,0]=3 2702 B15R2.16454 CC(Cc1ccccn1)N(C)C2CC2 269982a_200011351704_100000211595 [0,0,1,1,0,0|2,0,0]=4 2703 B15R2.16454 CC(Cc1cccnc1)N(C)C2CC2 270004a_100000226674_100015187140 [0,0,1,1,0,0|2,0,0]=4 2704 B15R2.16454 CC(Cc1ccncc1)N(C)C2CC2 270004a_100000226674_100000238508 [0,0,1,1,0,0|2,0,0]=4 2705 B15R2.1592 CCN(C)C1Cc2ccccc2C1=O 269982a_100000225621_100011218503 [0,0,1,1,0,0|0,0,2]=4 2706 B15R2.1592 CCN(C)C1Cc2ccccc2C1O 2230a_100000225621_100000211646 [0,0,1,1,0,0|0,0,0]=2 2707 B15R2.1592 CCN(C)[C@@H]1Cc2ccccc2[C@H]1O 2230a_200016148318_100000210202 [0,0,1,1,0,0|0,0,0]=2 2708 B15R2.1592 CCN(C)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100000204670 [0,0,1,1,0,0|0,0,0]=2 2709 B15R2.1592 CN(CF)[C@@H]1Cc2ccccc2[C@H]1O 269982a_200016148318_100015361967 [0,0,1,1,0,0|1,0,0]=3 2710 B15R2.110153 CC(C(=O)c1ccccc1)N2CCC2 269982a_100000754969_100000239700 [0,0,1,1,0,0|0,0,2]=4 2711 B15R2.110153 O=C([C@H](O)c1ccccc1)N2CCC2 240690a_100000754969_100000684486 [0,0,1,1,0,0|1,0,1]=4 2712 B15R2.1 CNC1CCC(CC1)c2ccccc2 270004a_106832991635_100000184041 [0,0,1,1,0,0|1,0,0]=3 2713 B15R2.1 CNC1CCC(CC1)c2ccccc2 34a_100000737527_200000210301 [0,0,1,1,0,0|1,0,0]=3 2714 B15R2.1 CNC1CCN(CC1)c2ccccc2 2230a_100000744080_200000210301 [0,0,1,1,0,0|2,0,0]=4 2715 B15R2.1 CNC1CCN(CC1)c2ccccc2 270004a_106832991635_100000743493 [0,0,1,1,0,0|2,0,0]=4 2716 B15R2.1 CNC1CCN(CC1)c2ccccc2 34a_100000744080_200000210301 [0,0,1,1,0,0|2,0,0]=4 2717 B15R2.1 CO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_200000210301 [0,0,1,1,0,0|2,0,0]=4 2718 B15R2.1 CO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_200000210301 [0,0,1,1,0,0|2,0,0]=4 2719 B15R2.1 CO[C@H]1CO[C@H](OC1)c2ccccc2 34a_100015291175_200000210301 [0,0,1,1,0,0|2,0,0]=4 2720 B15R2.1 CO[C@H]1CO[C@H](OC1)c2ccccc2 7a_100015291175_200000210301 [0,0,1,1,0,0|2,0,0]=4 2721 B15R2.1 [13CH3]NC1CCC(CC1)c2ccccc2 34a_100000737527_200025704644 [0,0,1,1,0,0|1,0,0]=3 2722 B15R2.1 [13CH3]NC1CCN(CC1)c2ccccc2 2230a_100000744080_200025704644 [0,0,1,1,0,0|2,0,0]=4 2723 B15R2.1 [13CH3]NC1CCN(CC1)c2ccccc2 34a_100000744080_200025704644 [0,0,1,1,0,0|2,0,0]=4 2724 B15R2.1 [13CH3]O[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_200025704644 [0,0,1,1,0,0|2,0,0]=4 2725 B15R2.1 [13CH3]O[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_200025704644 [0,0,1,1,0,0|2,0,0]=4 2726 B15R2.1 [13CH3]O[C@H]1CO[C@H](OC1)c2ccccc2 34a_100015291175_200025704644 [0,0,1,1,0,0|2,0,0]=4 2727 B15R2.1 [13CH3]O[C@H]1CO[C@H](OC1)c2ccccc2 7a_100015291175_200025704644 [0,0,1,1,0,0|2,0,0]=4 2728 B15R2.5 C#CCCOC1CCc2c1cccc2 34a_100000212247_100000688953 [0,0,1,1,0,0|1,0,1]=4 2729 B15R2.5 C#CCCOC1CCc2c1cccc2 7a_100000212247_100000688953 [0,0,1,1,0,0|1,0,1]=4 2730 B15R2.5 C/C=C/COC1CCc2c1cccc2 34a_100000212247_100102629194 [0,0,1,1,0,0|1,0,1]=4 2731 B15R2.5 C/C=C/COC1CCc2c1cccc2 7a_100000212247_100102629194 [0,0,1,1,0,0|1,0,1]=4 2732 B15R2.5 C=CCCOC1CCc2c1cccc2 34a_100000212247_100000754431 [0,0,1,1,0,0|1,0,1]=4 2733 B15R2.5 C=CCCOC1CCc2c1cccc2 7a_100000212247_100000754431 [0,0,1,1,0,0|1,0,1]=4 2734 B15R2.5 CC#CCOC1CCc2c1cccc2 34a_100000212247_100000748600 [0,0,1,1,0,0|1,0,1]=4 2735 B15R2.5 CC#CCOC1CCc2c1cccc2 7a_100000212247_100000748600 [0,0,1,1,0,0|1,0,1]=4 2736 B15R2.5 CC=CCOC1CCc2c1cccc2 34a_100000212247_100000070051 [0,0,1,1,0,0|1,0,1]=4 2737 B15R2.5 CC=CCOC1CCc2c1cccc2 7a_100000212247_100000070051 [0,0,1,1,0,0|1,0,1]=4 2738 B15R2.5 CCCCNC1CCc2c1cccc2 2230a_100000102301_200000721974 [0,0,1,1,0,0|2,0,0]=4 2739 B15R2.5 CCCCNC1CCc2c1cccc2 269862a_100000102301_100000212051 [0,0,1,1,0,0|2,0,0]=4 2740 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210211 [0,0,1,1,0,0|2,0,0]=4 2741 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210210 [0,0,1,1,0,0|2,0,0]=4 2742 B15R2.5 CCCCOC1CCc2c1cccc2 34a_100000212247_100000210210 [0,0,1,1,0,0|1,0,0]=3 2743 B15R2.5 CCCCOC1CCc2c1cccc2 7a_100000212247_100000210211 [0,0,1,1,0,0|1,0,0]=3 2744 B15R2.5 CCCCSC1CCc2c1cccc2 62a_100000210211_200000721974 [0,0,1,1,0,0|1,1,0]=4 2745 B15R2.5 CNCCCN1CCc2c1cccc2 2230a_100011191709_200000210301 [0,0,1,1,0,0|2,0,0]=4 2746 B15R2.5 COCCNC1CCc2c1cccc2 2230a_100000209980_200000721974 [0,0,1,1,0,0|2,0,0]=4 2747 B15R2.5 COCCNC1CCc2c1cccc2 269862a_100000209980_100000212051 [0,0,1,1,0,0|2,0,0]=4 2748 B15R2.5 COCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011201679 [0,0,1,1,0,0|2,0,0]=4 2749 B15R2.5 COCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011201679 [0,0,1,1,0,0|2,0,0]=4 2750 B15R2.5 COCCOC1CCc2c1cccc2 34a_100000212247_100011201679 [0,0,1,1,0,0|1,0,0]=3 2751 B15R2.5 COCCOC1CCc2c1cccc2 7a_100000212247_100000233755 [0,0,1,1,0,0|1,0,0]=3 2752 B15R2.5 COCCSC1CCc2c1cccc2 62a_100000233755_200000721974 [0,0,1,1,0,0|1,1,0]=4 2753 B15R2.5 CSCCNC1CCc2c1cccc2 2230a_100020590264_200000721974 [0,0,1,1,0,0|2,0,0]=4 2754 B15R2.5 CSCCNC1CCc2c1cccc2 269862a_100020590264_100000212051 [0,0,1,1,0,0|2,0,0]=4 2755 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000751147 [0,0,1,1,0,0|2,0,0]=4 2756 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000212216 [0,0,1,1,0,0|2,0,0]=4 2757 B15R2.5 CSCCOC1CCc2c1cccc2 34a_100000212247_100000212216 [0,0,1,1,0,0|1,0,0]=3 2758 B15R2.5 CSCCOC1CCc2c1cccc2 7a_100000212247_100000212216 [0,0,1,1,0,0|1,0,0]=3 2759 B15R2.5 CSCCSC1CCc2c1cccc2 62a_100000212216_200000721974 [0,0,1,1,0,0|1,1,0]=4 2760 B15R2.5 FCCCOC1CCc2c1cccc2 34a_100000212247_100011934791 [0,0,1,1,0,0|2,0,0]=4 2761 B15R2.5 FCCCOC1CCc2c1cccc2 7a_100000212247_100011934791 [0,0,1,1,0,0|2,0,0]=4 2762 B15R2.5 N#CCCOC1CCc2c1cccc2 7a_100000212247_100000184422 [0,0,1,1,0,0|2,0,0]=4 2763 B15R2.5 OCCCOC1CCc2c1cccc2 34a_100000212247_100000230001 [0,0,1,1,0,0|2,0,0]=4 2764 B15R2.5 OCCCOC1CCc2c1cccc2 7a_100000212247_100011215043 [0,0,1,1,0,0|2,0,0]=4 2765 B15R2.5 [13CH3]NCCCN1CCc2c1cccc2 2230a_100011191709_200025704644 [0,0,1,1,0,0|2,0,0]=4 2766 B15R2.66 CNCC1COC(O1)c2ccccc2 7a_106832991635_100011996486 [0,0,1,1,0,0|1,0,0]=3 2767 B15R2.66 CSCC1COC(O1)c2ccccc2 62a_200000210301_100011996486 [0,0,1,1,0,0|2,0,0]=4 2768 B15R2.66 [13CH3]SCC1COC(O1)c2ccccc2 62a_200025704644_100011996486 [0,0,1,1,0,0|2,0,0]=4 2769 B15R2.80 CCCCN1CCC1c2ccccc2 2230a_100000739605_100000210211 [0,0,1,1,0,0|2,0,0]=4 2770 B15R2.80 CCCCN1CCC1c2ccccc2 269982a_100000739605_100000210211 [0,0,1,1,0,0|2,0,0]=4 2771 B15R2.80 COCCN1CCC1c2ccccc2 2230a_100000739605_100011201679 [0,0,1,1,0,0|2,0,0]=4 2772 B15R2.80 COCCN1CCC1c2ccccc2 269982a_100000739605_100000233755 [0,0,1,1,0,0|2,0,0]=4 2773 B15R2.80 CSCCN1CCC1c2ccccc2 2230a_100000739605_100000751147 [0,0,1,1,0,0|2,0,0]=4 2774 B15R2.80 CSCCN1CCC1c2ccccc2 269982a_100000739605_100000212216 [0,0,1,1,0,0|2,0,0]=4 2775 B15R2.131 CNC(c1ccccc1)C2CCNC2 269862a_106832991636_100015189469 [0,0,1,1,0,0|2,0,0]=4 2776 B15R2.548 CN1CCCC(CC1)c2ccccc2 2230a_100015185863_200000210301 [0,0,1,1,0,0|1,0,0]=3 2777 B15R2.548 CN1CCCC(CC1)c2ccccc2 269982a_100015185863_200000210301 [0,0,1,1,0,0|1,0,0]=3 2778 B15R2.548 CN1CCCC(CC1)c2ccccc2 34a_100015185863_200000210301 [0,0,1,1,0,0|1,0,0]=3 2779 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 2230a_100015185863_200025704644 [0,0,1,1,0,0|1,0,0]=3 2780 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 269982a_100015185863_200025704644 [0,0,1,1,0,0|1,0,0]=3 2781 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 34a_100015185863_200025704644 [0,0,1,1,0,0|1,0,0]=3 2782 B15R2.1327 BrCC(OCC1CC1)c2ccccc2 7a_100000185958_100000742324 [0,0,1,1,0,0|2,0,0]=4 2783 B15R2.1327 BrCC(OCC1CO1)c2ccccc2 7a_100000185958_102125554688 [0,0,1,1,0,0|2,0,0]=4 2784 B15R2.1327 BrCC(OCC1CS1)c2ccccc2 7a_100000185958_100000031435 [0,0,1,1,0,0|2,0,0]=4 2785 B15R2.1327 BrCC(OC[C@@H]1CO1)c2ccccc2 7a_100000185958_100000745022 [0,0,1,1,0,0|2,0,0]=4 2786 B15R2.1327 CCC(NCC1CC1)c2ccccc2 2230a_100000737752_100000742324 [0,0,1,1,0,0|2,0,0]=4 2787 B15R2.1327 CCC(NCC1CC1)c2ccccc2 269862a_100000737752_100000741477 [0,0,1,1,0,0|2,0,0]=4 2788 B15R2.1327 CCC(NCC1CO1)c2ccccc2 2230a_100000737752_100011216344 [0,0,1,1,0,0|2,0,0]=4 2789 B15R2.1327 CCC(OCC1CC1)c2ccccc2 34a_100000698172_100000742324 [0,0,1,1,0,0|1,0,0]=3 2790 B15R2.1327 CCC(OCC1CC1)c2ccccc2 7a_100000698172_100000742324 [0,0,1,1,0,0|1,0,0]=3 2791 B15R2.1327 CCC(OCC1CO1)c2ccccc2 34a_100000698172_102125554688 [0,0,1,1,0,0|1,0,0]=3 2792 B15R2.1327 CCC(OCC1CO1)c2ccccc2 7a_100000698172_102125554688 [0,0,1,1,0,0|1,0,0]=3 2793 B15R2.1327 CCC(OCC1CS1)c2ccccc2 7a_100000698172_100000031435 [0,0,1,1,0,0|1,0,0]=3 2794 B15R2.1327 CCC(OC[C@@H]1CO1)c2ccccc2 7a_100000698172_100000745022 [0,0,1,1,0,0|1,0,0]=3 2795 B15R2.1327 ClC[C@@H](OCC1CC1)c2ccccc2 34a_100011933945_100000742324 [0,0,1,1,0,0|2,0,0]=4 2796 B15R2.1327 ClC[C@@H](OCC1CC1)c2ccccc2 7a_100011933945_100000742324 [0,0,1,1,0,0|2,0,0]=4 2797 B15R2.1327 ClC[C@@H](OCC1CO1)c2ccccc2 34a_100011933945_102125554688 [0,0,1,1,0,0|2,0,0]=4 2798 B15R2.1327 ClC[C@@H](OCC1CO1)c2ccccc2 7a_100011933945_102125554688 [0,0,1,1,0,0|2,0,0]=4 2799 B15R2.1327 ClC[C@@H](OCC1CS1)c2ccccc2 7a_100011933945_100000031435 [0,0,1,1,0,0|2,0,0]=4 2800 B15R2.1327 ClC[C@@H](OC[C@@H]1CO1)c2ccccc2 7a_100011933945_100000745022 [0,0,1,1,0,0|2,0,0]=4 2801 B15R2.1327 NCC(OCC1CC1)c2ccccc2 34a_100000210709_100000742324 [0,0,1,1,0,0|2,0,0]=4 2802 B15R2.1327 NCC(OCC1CO1)c2ccccc2 34a_100000210709_102125554688 [0,0,1,1,0,0|2,0,0]=4 2803 B15R2.1331 BrCC(OC1COC1)c2ccccc2 7a_100000185958_100009818527 [0,0,1,1,0,0|2,0,0]=4 2804 B15R2.1331 CCC(NC1CCC1)c2ccccc2 269862a_100000749019_100000210124 [0,0,1,1,0,0|2,0,0]=4 2805 B15R2.1331 CCC(NC1CCC1)c2ccccc2 270004a_100000737752_100000241760 [0,0,1,1,0,0|2,0,0]=4 2806 B15R2.1331 CCC(NC1COC1)c2ccccc2 269862a_100016991112_100000210124 [0,0,1,1,0,0|2,0,0]=4 2807 B15R2.1331 CCC(NC1CSC1)c2ccccc2 269862a_100016994217_100000210124 [0,0,1,1,0,0|2,0,0]=4 2808 B15R2.1331 CCC(OC1CCC1)c2ccccc2 34a_100000698172_100000749161 [0,0,1,1,0,0|1,0,0]=3 2809 B15R2.1331 CCC(OC1COC1)c2ccccc2 34a_100000698172_100009818527 [0,0,1,1,0,0|1,0,0]=3 2810 B15R2.1331 CCC(OC1COC1)c2ccccc2 7a_100000698172_100009818527 [0,0,1,1,0,0|1,0,0]=3 2811 B15R2.1331 ClC[C@@H](OC1CCC1)c2ccccc2 34a_100011933945_100000749161 [0,0,1,1,0,0|2,0,0]=4 2812 B15R2.1331 ClC[C@@H](OC1COC1)c2ccccc2 34a_100011933945_100009818527 [0,0,1,1,0,0|2,0,0]=4 2813 B15R2.1331 ClC[C@@H](OC1COC1)c2ccccc2 7a_100011933945_100009818527 [0,0,1,1,0,0|2,0,0]=4 2814 B15R2.1331 NCC(OC1CCC1)c2ccccc2 34a_100000210709_100000749161 [0,0,1,1,0,0|2,0,0]=4 2815 B15R2.1331 NCC(OC1COC1)c2ccccc2 34a_100000210709_100009818527 [0,0,1,1,0,0|2,0,0]=4 2816 B15R2.2127 CCCCNC1(CC1)c2ccccc2 2230a_100000749958_100000210211 [0,0,1,1,0,0|2,0,0]=4 2817 B15R2.2127 COCCNC1(CC1)c2ccccc2 2230a_100000749958_100011201679 [0,0,1,1,0,0|2,0,0]=4 2818 B15R2.2127 CSCCNC1(CC1)c2ccccc2 2230a_100000749958_100000751147 [0,0,1,1,0,0|2,0,0]=4 2819 B15R2.44 CCNC1c2ccccc2CC1CC 269862a_100015525214_100011215617 [0,0,1,1,0,0|2,0,0]=4 2820 B15R2.9941 CCNC1c2ccccc2CCC1C 269862a_100015525214_100000696181 [0,0,1,1,0,0|2,0,0]=4 2821 B15R2.17002 CCNC(c1ccccc1)C2CCC2 269862a_100015525214_100011215208 [0,0,1,1,0,0|2,0,0]=4 2822 B15R2.17002 CCN[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_100000210202 [0,0,1,1,0,0|2,0,0]=4 2823 B15R2.17002 CCN[C@@H](c1ccccc1)C2CCC2 34a_100025717287_100000210202 [0,0,1,1,0,0|2,0,0]=4 2824 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 11a_106832991635_100000026751 [0,0,1,1,0,0|1,0,1]=4 2825 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 1626a_100102657272_100000026751 [0,0,1,1,0,0|1,0,1]=4 2826 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 240690a_100102657272_100000026751 [0,0,1,1,0,0|1,0,1]=4 2827 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 527a_100102657272_100000026751 [0,0,1,1,0,0|1,0,1]=4 2828 B15R2.15 CCN1CCC(C1)Oc2ccccc2 2230a_200015184049_100000210202 [0,0,1,1,0,0|2,0,0]=4 2829 B15R2.15 CCN1CCC(C1)Oc2ccccc2 269982a_200015184049_100000204670 [0,0,1,1,0,0|2,0,0]=4 2830 B15R2.15 CCN1CCC(C1)Oc2ccccc2 7a_100000210340_200011861547 [0,0,1,1,0,0|2,0,0]=4 2831 B15R2.15 CCN1CCC(C1)Sc2ccccc2 62a_100000719477_200011861547 [0,0,1,1,0,0|2,0,0]=4 2832 B15R2.29 CC1CCN(CC1)Cc2ccccc2 2230a_100000188429_100015291786 [0,0,1,1,0,0|2,0,0]=4 2833 B15R2.29 CC1CCN(CC1)Cc2ccccc2 269982a_100000188429_100000211182 [0,0,1,1,0,0|2,0,0]=4 2834 B15R2.29 CC1CCN(CC1)Cc2ccccc2 270004a_100000188429_100015611070 [0,0,1,1,0,0|2,0,0]=4 2835 B15R2.29 CC1CCN(CC1)Cc2ccccc2 34a_100000188429_100015291786 [0,0,1,1,0,0|2,0,0]=4 2836 B15R2.29 CN1CCC(CC1)Cc2ccccc2 2230a_100000210444_200000210301 [0,0,1,1,0,0|1,0,0]=3 2837 B15R2.29 CN1CCC(CC1)Cc2ccccc2 269982a_100000210444_200000210301 [0,0,1,1,0,0|1,0,0]=3 2838 B15R2.29 CN1CCC(CC1)Cc2ccccc2 34a_100000210444_200000210301 [0,0,1,1,0,0|1,0,0]=3 2839 B15R2.29 CN1CCC(CC1)Cc2ccncc2 2230a_100000722458_200000210301 [0,0,1,1,0,0|2,0,0]=4 2840 B15R2.29 CN1CCC(CC1)Cc2ccncc2 269982a_100000722458_200000210301 [0,0,1,1,0,0|2,0,0]=4 2841 B15R2.29 CN1CCC(CC1)Oc2ccccc2 2230a_100000737644_200000210301 [0,0,1,1,0,0|2,0,0]=4 2842 B15R2.29 CN1CCC(CC1)Oc2ccccc2 269982a_100000737644_200000210301 [0,0,1,1,0,0|2,0,0]=4 2843 B15R2.29 CN1CCC(CC1)Oc2ccccc2 34a_100000737644_200000210301 [0,0,1,1,0,0|2,0,0]=4 2844 B15R2.29 CN1CCC(CC1)Sc2ccccc2 62a_100000719477_100011215917 [0,0,1,1,0,0|2,0,0]=4 2845 B15R2.29 CN1CCN(CC1)Cc2ccccc2 2230a_100000188432_100015291786 [0,0,1,1,0,0|1,0,0]=3 2846 B15R2.29 CN1CCN(CC1)Cc2ccccc2 269982a_100000188432_100000211182 [0,0,1,1,0,0|1,0,0]=3 2847 B15R2.29 CN1CCN(CC1)Cc2ccccc2 270004a_100000188432_100015611070 [0,0,1,1,0,0|1,0,0]=3 2848 B15R2.29 CN1CCN(CC1)Cc2ccccn2 2230a_100000188432_100000721315 [0,0,1,1,0,0|2,0,0]=4 2849 B15R2.29 CN1CCN(CC1)Cc2ccccn2 2230a_100000229886_200000210301 [0,0,1,1,0,0|2,0,0]=4 2850 B15R2.29 CN1CCN(CC1)Cc2ccccn2 269982a_100000188432_100000721315 [0,0,1,1,0,0|2,0,0]=4 2851 B15R2.29 CN1CCN(CC1)Cc2ccccn2 269982a_100000229886_200000210301 [0,0,1,1,0,0|2,0,0]=4 2852 B15R2.29 CN1CCN(CC1)Cc2ccccn2 270004a_100000188432_100000209966 [0,0,1,1,0,0|2,0,0]=4 2853 B15R2.29 CN1CCN(CC1)Cc2cccnc2 2230a_100000188432_100000741622 [0,0,1,1,0,0|2,0,0]=4 2854 B15R2.29 CN1CCN(CC1)Cc2cccnc2 2230a_100000241969_200000210301 [0,0,1,1,0,0|2,0,0]=4 2855 B15R2.29 CN1CCN(CC1)Cc2cccnc2 269982a_100000188432_100000733263 [0,0,1,1,0,0|2,0,0]=4 2856 B15R2.29 CN1CCN(CC1)Cc2cccnc2 269982a_100000241969_200000210301 [0,0,1,1,0,0|2,0,0]=4 2857 B15R2.29 CN1CCN(CC1)Cc2cccnc2 270004a_100000188432_100000209961 [0,0,1,1,0,0|2,0,0]=4 2858 B15R2.29 CN1CCN(CC1)Cc2ccncc2 2230a_100000188432_100015193705 [0,0,1,1,0,0|2,0,0]=4 2859 B15R2.29 CN1CCN(CC1)Cc2ccncc2 2230a_100000195410_200000210301 [0,0,1,1,0,0|2,0,0]=4 2860 B15R2.29 CN1CCN(CC1)Cc2ccncc2 269982a_100000188432_100015193705 [0,0,1,1,0,0|2,0,0]=4 2861 B15R2.29 CN1CCN(CC1)Cc2ccncc2 269982a_100000195410_200000210301 [0,0,1,1,0,0|2,0,0]=4 2862 B15R2.29 [13CH3]N1CCC(CC1)Cc2ccccc2 2230a_100000210444_200025704644 [0,0,1,1,0,0|1,0,0]=3 2863 B15R2.29 [13CH3]N1CCC(CC1)Cc2ccccc2 269982a_100000210444_200025704644 [0,0,1,1,0,0|1,0,0]=3 2864 B15R2.29 [13CH3]N1CCC(CC1)Cc2ccccc2 34a_100000210444_200025704644 [0,0,1,1,0,0|1,0,0]=3 2865 B15R2.29 [13CH3]N1CCC(CC1)Cc2ccncc2 2230a_100000722458_200025704644 [0,0,1,1,0,0|2,0,0]=4 2866 B15R2.29 [13CH3]N1CCC(CC1)Cc2ccncc2 269982a_100000722458_200025704644 [0,0,1,1,0,0|2,0,0]=4 2867 B15R2.29 [13CH3]N1CCC(CC1)Oc2ccccc2 2230a_100000737644_200025704644 [0,0,1,1,0,0|2,0,0]=4 2868 B15R2.29 [13CH3]N1CCC(CC1)Oc2ccccc2 269982a_100000737644_200025704644 [0,0,1,1,0,0|2,0,0]=4 2869 B15R2.29 [13CH3]N1CCC(CC1)Oc2ccccc2 34a_100000737644_200025704644 [0,0,1,1,0,0|2,0,0]=4 2870 B15R2.29 [13CH3]N1CCN(CC1)Cc2ccccn2 2230a_100000229886_200025704644 [0,0,1,1,0,0|2,0,0]=4 2871 B15R2.29 [13CH3]N1CCN(CC1)Cc2ccccn2 269982a_100000229886_200025704644 [0,0,1,1,0,0|2,0,0]=4 2872 B15R2.29 [13CH3]N1CCN(CC1)Cc2cccnc2 2230a_100000241969_200025704644 [0,0,1,1,0,0|2,0,0]=4 2873 B15R2.29 [13CH3]N1CCN(CC1)Cc2cccnc2 269982a_100000241969_200025704644 [0,0,1,1,0,0|2,0,0]=4 2874 B15R2.29 [13CH3]N1CCN(CC1)Cc2ccncc2 2230a_100000195410_200025704644 [0,0,1,1,0,0|2,0,0]=4 2875 B15R2.29 [13CH3]N1CCN(CC1)Cc2ccncc2 269982a_100000195410_200025704644 [0,0,1,1,0,0|2,0,0]=4 2876 B15R2.283 CC1CCC(C1)NCc2ccccc2 270004a_100015324214_100011215218 [0,0,1,1,0,0|2,0,0]=4 2877 B15R2.283 CC1CCC(C1)OCc2ccccc2 34a_100000698185_100015291786 [0,0,1,1,0,0|1,0,0]=3 2878 B15R2.283 CC1CCC(C1)OCc2ccccn2 34a_100000698185_100000721315 [0,0,1,1,0,0|2,0,0]=4 2879 B15R2.283 CC1CCC(C1)OCc2cccnc2 34a_100000698185_100000733263 [0,0,1,1,0,0|2,0,0]=4 2880 B15R2.283 CN1CCC(C1)CNc2ccccc2 34a_100000106764_200000690779 [0,0,1,1,0,0|2,0,0]=4 2881 B15R2.283 CN1CCC(C1)COc2ccccc2 34a_100000210340_200000690779 [0,0,1,1,0,0|2,0,0]=4 2882 B15R2.283 CN1CCC(C1)COc2ccccc2 7a_100000210340_200000690779 [0,0,1,1,0,0|2,0,0]=4 2883 B15R2.283 CN1CCC(C1)CSc2ccccc2 62a_100000719477_200000690779 [0,0,1,1,0,0|2,0,0]=4 2884 B15R2.283 CN1CCC(C1)CSc2ccccc2 62a_200000690779_100000041952 [0,0,1,1,0,0|2,0,0]=4 2885 B15R2.283 CN1CCC(C1)NCc2ccccc2 207a_100000744687_100015611070 [0,0,1,1,0,0|1,0,0]=3 2886 B15R2.283 CN1CCC(C1)NCc2ccccc2 270004a_100000744687_100015611070 [0,0,1,1,0,0|1,0,0]=3 2887 B15R2.283 CN1CCC(C1)NCc2ccccn2 207a_100000744687_100000209966 [0,0,1,1,0,0|2,0,0]=4 2888 B15R2.283 CN1CCC(C1)NCc2ccccn2 270004a_100000744687_100000209966 [0,0,1,1,0,0|2,0,0]=4 2889 B15R2.283 CN1CCC(C1)NCc2cccnc2 207a_100000744687_100000209961 [0,0,1,1,0,0|2,0,0]=4 2890 B15R2.283 CN1CCC(C1)NCc2cccnc2 270004a_100000744687_100000209961 [0,0,1,1,0,0|2,0,0]=4 2891 B15R2.283 CN1CCC(C1)NCc2ccncc2 207a_100000744687_100000186114 [0,0,1,1,0,0|2,0,0]=4 2892 B15R2.283 CN1CCC(C1)OCc2ccccc2 2230a_100011290789_200000210301 [0,0,1,1,0,0|0,0,0]=2 2893 B15R2.283 CN1CCC(C1)OCc2ccccc2 269982a_100011290789_200000210301 [0,0,1,1,0,0|0,0,0]=2 2894 B15R2.283 CN1CCC(C1)OCc2ccccc2 34a_100011290789_200000210301 [0,0,1,1,0,0|0,0,0]=2 2895 B15R2.283 CN1CCC(C1)OCc2ccccc2 7a_100000210790_200012183744 [0,0,1,1,0,0|0,0,0]=2 2896 B15R2.283 CN1CCC(C1)SCc2ccccc2 62a_100000211182_200012183744 [0,0,1,1,0,0|0,1,0]=3 2897 B15R2.283 CN1CCC(C1)SCc2ccccn2 62a_100000721315_200012183744 [0,0,1,1,0,0|1,1,0]=4 2898 B15R2.283 CN1CCC(C1)SCc2cccnc2 62a_100000741622_200012183744 [0,0,1,1,0,0|1,1,0]=4 2899 B15R2.283 CN1CCC(C1)SCc2ccncc2 62a_100015193705_200012183744 [0,0,1,1,0,0|1,1,0]=4 2900 B15R2.283 O=C1CCC(C1)OCc2ccccc2 34a_100012614533_100015291786 [0,0,1,1,0,0|2,0,0]=4 2901 B15R2.283 [13CH3]N1CCC(C1)OCc2ccccc2 2230a_100011290789_200025704644 [0,0,1,1,0,0|0,0,0]=2 2902 B15R2.283 [13CH3]N1CCC(C1)OCc2ccccc2 269982a_100011290789_200025704644 [0,0,1,1,0,0|0,0,0]=2 2903 B15R2.283 [13CH3]N1CCC(C1)OCc2ccccc2 34a_100011290789_200025704644 [0,0,1,1,0,0|0,0,0]=2 2904 B15R2.342 CC1CCN1COCc2ccccc2 34a_100000755817_100000763385 [0,0,1,1,0,0|2,0,0]=4 2905 B15R2.1995 CCN1CC(C1)NCc2ccccc2 2230a_200015199589_100015291786 [0,0,1,1,0,0|1,0,0]=3 2906 B15R2.1995 CCN1CC(C1)NCc2ccccn2 2230a_200015199589_100000721315 [0,0,1,1,0,0|2,0,0]=4 2907 B15R2.1995 CCN1CC(C1)NCc2cccnc2 2230a_200015199589_100000741622 [0,0,1,1,0,0|2,0,0]=4 2908 B15R2.1995 CCN1CC(C1)NCc2ccncc2 2230a_200015199589_100015193705 [0,0,1,1,0,0|2,0,0]=4 2909 B15R2.1995 CCN1CC(C1)OCc2ccccc2 269982a_100000692158_100000204670 [0,0,1,1,0,0|0,0,0]=2 2910 B15R2.1995 CCN1CC(C1)OCc2ccccc2 34a_100000692158_100000210202 [0,0,1,1,0,0|0,0,0]=2 2911 B15R2.1995 CNC1CC(C1)OCc2ccccc2 2230a_106832991635_100012470880 [0,0,1,1,0,0|2,0,0]=4 2912 B15R2.1995 CNC1CC(C1)OCc2ccccc2 270004a_106832991635_100000766647 [0,0,1,1,0,0|2,0,0]=4 2913 B15R2.1995 CNC1CC(C1)OCc2ccccc2 34a_100102657272_100012470880 [0,0,1,1,0,0|2,0,0]=4 2914 B15R2.1995 CNC1CC(C1)OCc2ccccc2 7a_106832991635_100012470880 [0,0,1,1,0,0|2,0,0]=4 2915 B15R2.1995 CN[C@H]1C[C@@H](C1)OCc2ccccc2 2230a_100015959148_200000210301 [0,0,1,1,0,0|2,0,0]=4 2916 B15R2.1995 COC1CC(C1)OCc2ccccc2 34a_100138415774_100012470880 [0,0,1,1,0,0|2,0,0]=4 2917 B15R2.1995 CO[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_200000210301 [0,0,1,1,0,0|2,0,0]=4 2918 B15R2.1995 CSC1CC(C1)OCc2ccccc2 62a_100012470880_200000210301 [0,0,1,1,0,0|2,0,0]=4 2919 B15R2.1995 CSC1CC(C1)OCc2ccccc2 62a_200000210301_100012470880 [0,0,1,1,0,0|2,0,0]=4 2920 B15R2.1995 FCN1CC(C1)OCc2ccccc2 269982a_100000692158_100015361967 [0,0,1,1,0,0|1,0,0]=3 2921 B15R2.1995 FCN1CC(C1)OCc2ccccc2 34a_100000692158_100015361967 [0,0,1,1,0,0|1,0,0]=3 2922 B15R2.1995 [13CH3]N[C@H]1C[C@@H](C1)OCc2ccccc2 2230a_100015959148_200025704644 [0,0,1,1,0,0|2,0,0]=4 2923 B15R2.1995 [13CH3]O[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_200025704644 [0,0,1,1,0,0|2,0,0]=4 2924 B15R2.1995 [13CH3]SC1CC(C1)OCc2ccccc2 62a_100012470880_200025704644 [0,0,1,1,0,0|2,0,0]=4 2925 B15R2.1995 [13CH3]SC1CC(C1)OCc2ccccc2 62a_200025704644_100012470880 [0,0,1,1,0,0|2,0,0]=4 2926 B15R2.7945 CC1(CC1)NCOCc2ccccc2 2230a_100000757604_100000763385 [0,0,1,1,0,0|2,0,0]=4 2927 B15R2.27836 c1cc(ccn1)CCCCN2CCC2 269982a_100000754969_100020630000 [0,0,1,1,0,0|2,0,0]=4 2928 B15R2.27836 c1ccc(cc1)CCCCN2CCC2 269982a_100000754969_100000701786 [0,0,1,1,0,0|1,0,0]=3 2929 B15R2.27836 c1ccc(cc1)COCCC2COC2 34a_100009855314_100015291786 [0,0,1,1,0,0|2,0,0]=4 2930 B15R2.27836 c1ccc(cc1)COCCN2CCC2 269982a_100000754969_100000234347 [0,0,1,1,0,0|0,0,0]=2 2931 B15R2.27836 c1ccc(cc1)COCNC2CCC2 2230a_100000749019_100000763385 [0,0,1,1,0,0|2,0,0]=4 2932 B15R2.27836 c1ccc(cc1)COCNC2CCC2 34a_100000749019_100000763385 [0,0,1,1,0,0|2,0,0]=4 2933 B15R2.27836 c1ccc(cc1)COCOC2CCC2 34a_100000748187_100000763385 [0,0,1,1,0,0|2,0,0]=4 2934 B15R2.27836 c1ccc(cc1)COCSC2CCC2 62a_100000763385_100000749161 [0,0,1,1,0,0|2,0,0]=4 2935 B15R2.27836 c1ccc(cc1)CSCCN2CCC2 269982a_100000754969_200011297719 [0,0,1,1,0,0|0,1,0]=3 2936 B15R2.27836 c1ccc(cc1)OCCCN2CCC2 269982a_100000754969_100000199009 [0,0,1,1,0,0|2,0,0]=4 2937 B15R2.27836 c1ccc(cc1)SCCCN2CCC2 269982a_100000754969_200011203293 [0,0,1,1,0,0|2,0,0]=4 2938 B15R3.2025 CN1CC2CC(C1)c3c2cccc3 2230a_100016997830_200000210301 [1,0,0,1,0,0|1,0,0]=3 2939 B15R3.2025 CN1CC2CC(C1)c3c2cccc3 269982a_100016997830_200000210301 [1,0,0,1,0,0|1,0,0]=3 2940 B15R3.2025 [13CH3]N1CC2CC(C1)c3c2cccc3 2230a_100016997830_200025704644 [1,0,0,1,0,0|1,0,0]=3 2941 B15R3.2025 [13CH3]N1CC2CC(C1)c3c2cccc3 269982a_100016997830_200025704644 [1,0,0,1,0,0|1,0,0]=3 2942 B13R1.66 CC(Cc1ccco1)N(C)CCO 270004a_100000210263_100011216958 [0,0,1,0,1,0|1,0,0]=3 2943 B13R1.66 CCCN(C)C(C)Cc1ccco1 270004a_100000747261_100011216958 [0,0,1,0,1,0|2,0,0]=4 2944 B13R1.536 CCC(C)CCOCc1ccsc1 7a_100011215188_100011261437 [0,0,1,0,1,0|2,0,0]=4 2945 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,0,1,0,1,0|2,0,0]=4 2946 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,0,1,0,1,0|2,0,0]=4 2947 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,0,1,0,1,0|2,0,0]=4 2948 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,0,1,0,1,0|2,0,0]=4 2949 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,0,1,0,1,0|2,0,0]=4 2950 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,1,0,1,0|2,0,0]=4 2951 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,1,0,1,0|2,0,0]=4 2952 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,0,1,0,1,0|2,0,0]=4 2953 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,0,1,0,1,0|2,0,0]=4 2954 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,0,1,0,1,0|2,0,0]=4 2955 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,0,1,0,1,0|2,0,0]=4 2956 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,0,1,0,1,0|2,0,0]=4 2957 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,0,1,0,1,0|2,0,0]=4 2958 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,0,1,0,1,0|2,0,0]=4 2959 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,0,1,0,1,0|2,0,0]=4 2960 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,0,1,0,1,0|2,0,0]=4 2961 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,0,1,0,1,0|2,0,0]=4 2962 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,0,1,0,1,0|2,0,0]=4 2963 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,0,1,0,1,0|1,0,0]=3 2964 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,0,1,0,1,0|1,0,0]=3 2965 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,0,1,0,1,0|1,1,0]=4 2966 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,0,1,0,1,0|1,1,0]=4 2967 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,0,1,0,1,0|2,0,0]=4 2968 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,0,1,0,1,0|2,0,0]=4 2969 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,0,1,0,1,0|2,0,0]=4 2970 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,0,1,0,1,0|2,0,0]=4 2971 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,0,1,0,1,0|2,0,0]=4 2972 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,0,1,0,1,0|2,0,0]=4 2973 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,0,1,0,1,0|2,0,0]=4 2974 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,0,1,0,1,0|2,0,0]=4 2975 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,0,1,0,1,0|2,0,0]=4 2976 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,0,1,0,1,0|2,0,0]=4 2977 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100000225621_100016265936 [0,0,1,0,1,0|0,0,2]=4 2978 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100020603567_200000210301 [0,0,1,0,1,0|0,0,2]=4 2979 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100000225621_100016265936 [0,0,1,0,1,0|0,0,2]=4 2980 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100020603567_200000210301 [0,0,1,0,1,0|0,0,2]=4 2981 B13R1.718 CCN(C)CC#Cc1ccccc1 2230a_100000225621_100011352542 [0,0,1,0,1,0|0,0,2]=4 2982 B13R1.718 CCN(C)CC#Cc1ccccc1 269982a_100000225621_100011352542 [0,0,1,0,1,0|0,0,2]=4 2983 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,0,1,0,1,0|0,0,0]=2 2984 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,0,1,0,1,0|0,0,0]=2 2985 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,0,1,0,1,0|0,0,0]=2 2986 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,0,1,0,1,0|0,0,0]=2 2987 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,0,1,0,1,0|0,0,0]=2 2988 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,0,1,0,1,0|0,0,0]=2 2989 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,0,1,0,1,0|0,0,0]=2 2990 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,0,1,0,1,0|0,0,0]=2 2991 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,0,1,0,1,0|0,0,0]=2 2992 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,0,1,0,1,0|0,0,0]=2 2993 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,0,1,0,1,0|0,1,0]=3 2994 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,0,1,0,1,0|0,1,0]=3 2995 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,0,1,0,1,0|0,0,0]=2 2996 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,0,1,0,1,0|0,1,0]=3 2997 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,0,1,0,1,0|0,1,0]=3 2998 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 2230a_100020603567_200025704644 [0,0,1,0,1,0|0,0,2]=4 2999 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 269982a_100020603567_200025704644 [0,0,1,0,1,0|0,0,2]=4 3000 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,0,1,0,1,0|0,0,0]=2 3001 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,0,1,0,1,0|0,0,0]=2 3002 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,0,1,0,1,0|2,0,0]=4 3003 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,0,1,0,1,0|2,0,0]=4 3004 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,0,1,0,1,0|1,0,0]=3 3005 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,0,1,0,1,0|1,0,0]=3 3006 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,0,1,0,1,0|1,0,0]=3 3007 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,0,1,0,1,0|2,0,0]=4 3008 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,0,1,0,1,0|2,0,0]=4 3009 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,0,1,0,1,0|2,0,0]=4 3010 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,0,1,0,1,0|1,1,0]=4 3011 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,0,1,0,1,0|1,1,0]=4 3012 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,0,1,0,1,0|1,0,0]=3 3013 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [0,0,1,0,1,0|1,0,0]=3 3014 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,0,1,0,1,0|2,0,0]=4 3015 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,0,1,0,1,0|2,0,0]=4 3016 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,0,1,0,1,0|2,0,0]=4 3017 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,0,1,0,1,0|2,0,0]=4 3018 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,0,1,0,1,0|2,0,0]=4 3019 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,0,1,0,1,0|2,0,0]=4 3020 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,0,1,0,1,0|2,0,0]=4 3021 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,0,1,0,1,0|2,0,0]=4 3022 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,0,1,0,1,0|2,0,0]=4 3023 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,0,1,0,1,0|2,0,0]=4 3024 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,0,1,0,1,0|2,0,0]=4 3025 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,0,1,0,1,0|2,0,0]=4 3026 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [1,0,0,0,1,0|0,0,0]=2 3027 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [1,0,0,0,1,0|0,0,0]=2 3028 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [1,0,0,0,1,0|0,0,0]=2 3029 B13R2.10 CN1CCC(C1)c2ccccn2 2230a_100102730755_200000210301 [1,0,0,0,1,0|1,0,0]=3 3030 B13R2.10 CN1CCC(C1)c2ccccn2 269982a_100102730755_200000210301 [1,0,0,0,1,0|1,0,0]=3 3031 B13R2.10 CN1CCC(C1)c2cccnc2 2230a_200015204282_200000210301 [1,0,0,0,1,0|1,0,0]=3 3032 B13R2.10 CN1CCC(C1)c2cccnc2 269982a_200015204282_200000210301 [1,0,0,0,1,0|1,0,0]=3 3033 B13R2.10 CN1CCC(C1)c2cncnc2 2230a_100025749470_200000210301 [1,0,0,0,1,0|2,0,0]=4 3034 B13R2.10 CN1CCC(C1)c2cncnc2 269982a_100025749470_200000210301 [1,0,0,0,1,0|2,0,0]=4 3035 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [1,0,0,0,1,0|0,0,0]=2 3036 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [1,0,0,0,1,0|0,0,0]=2 3037 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [1,0,0,0,1,0|0,0,0]=2 3038 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 2230a_100102730755_200025704644 [1,0,0,0,1,0|1,0,0]=3 3039 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 269982a_100102730755_200025704644 [1,0,0,0,1,0|1,0,0]=3 3040 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 2230a_200015204282_200025704644 [1,0,0,0,1,0|1,0,0]=3 3041 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 269982a_200015204282_200025704644 [1,0,0,0,1,0|1,0,0]=3 3042 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 2230a_100025749470_200025704644 [1,0,0,0,1,0|2,0,0]=4 3043 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 269982a_100025749470_200025704644 [1,0,0,0,1,0|2,0,0]=4 3044 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [1,0,0,0,1,0|1,0,0]=3 3045 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [1,0,0,0,1,0|1,0,0]=3 3046 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [1,0,0,0,1,0|1,0,0]=3 3047 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [1,0,0,0,1,0|2,0,0]=4 3048 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [1,0,0,0,1,0|2,0,0]=4 3049 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [1,0,0,0,1,0|2,0,0]=4 3050 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [1,0,0,0,1,0|2,0,0]=4 3051 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [1,0,0,0,1,0|2,0,0]=4 3052 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [1,0,0,0,1,0|2,0,0]=4 3053 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [1,0,0,0,1,0|0,1,0]=3 3054 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [1,0,0,0,1,0|0,1,0]=3 3055 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [1,0,0,0,1,0|0,1,0]=3 3056 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [1,0,0,0,1,0|0,1,0]=3 3057 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [1,0,0,0,1,0|1,0,0]=3 3058 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [1,0,0,0,1,0|1,0,0]=3 3059 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [1,0,0,0,1,0|1,0,0]=3 3060 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [1,0,0,0,1,0|2,0,0]=4 3061 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [1,0,0,0,1,0|2,0,0]=4 3062 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [1,0,0,0,1,0|2,0,0]=4 3063 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [1,0,0,0,1,0|2,0,0]=4 3064 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [1,0,0,0,1,0|2,0,0]=4 3065 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [1,0,0,0,1,0|2,0,0]=4 3066 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [1,0,0,0,1,0|0,1,0]=3 3067 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [1,0,0,0,1,0|0,1,0]=3 3068 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [1,0,0,0,1,0|0,1,0]=3 3069 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [1,0,0,0,1,0|0,1,0]=3 3070 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [0,0,1,0,0,1|2,0,0]=4 3071 B15R1.809 CC(CCO)NC(C)Cc1ccccn1 2230a_100000238496_100009893172 [0,0,1,0,0,1|2,0,0]=4 3072 B15R1.809 CC(CCO)NC(C)Cc1cccnc1 2230a_100011207255_100009893172 [0,0,1,0,0,1|2,0,0]=4 3073 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [0,0,1,0,0,1|1,0,0]=3 3074 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [0,0,1,0,0,1|1,0,0]=3 3075 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [0,0,1,0,0,1|1,0,0]=3 3076 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [0,0,1,0,0,1|1,0,0]=3 3077 B15R1.809 CC(C[n+]1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000034229 [0,0,1,0,0,1|2,0,0]=4 3078 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [0,0,1,0,0,1|1,0,0]=3 3079 B15R1.809 CC(Cc1cccnc1)N[C@H](C)CCO 270004a_100000706166_100015187140 [0,0,1,0,0,1|2,0,0]=4 3080 B15R1.809 CC(Cc1ccncc1)N[C@H](C)CCO 270004a_100000706166_100000238508 [0,0,1,0,0,1|2,0,0]=4 3081 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [0,0,1,0,0,1|2,0,0]=4 3082 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [0,0,1,0,0,1|2,0,0]=4 3083 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [0,0,1,0,0,1|2,0,0]=4 3084 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [0,0,1,0,0,1|2,0,0]=4 3085 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [0,0,1,0,0,1|2,0,0]=4 3086 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [0,0,1,0,0,1|2,0,0]=4 3087 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000747261_100000729385 [0,0,1,0,0,1|2,0,0]=4 3088 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000747261_100000729385 [0,0,1,0,0,1|2,0,0]=4 3089 B15R1.809 CN(CCO)CC(=O)Cc1ccccc1 2230a_100000210263_100000233483 [0,0,1,0,0,1|1,0,1]=4 3090 B15R1.809 CN(CCO)CC(=O)Cc1ccccc1 269982a_100000210263_100000233483 [0,0,1,0,0,1|1,0,1]=4 3091 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 2230a_100000210263_100000729385 [0,0,1,0,0,1|1,0,0]=3 3092 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 269982a_100000210263_100000729385 [0,0,1,0,0,1|1,0,0]=3 3093 B15R1.826 C#CCN(C)C(C)CCc1ccccc1 270004a_100000225692_100000210092 [0,0,1,0,0,1|1,0,1]=4 3094 B15R1.826 C#CCN(C)C(C)COc1ccccc1 270004a_100000225692_100000150576 [0,0,1,0,0,1|1,0,1]=4 3095 B15R1.826 C#CCN(C)C(C)CSc1ccccc1 270004a_100000225692_100000150717 [0,0,1,0,0,1|1,0,1]=4 3096 B15R1.826 C=CCN(C)C(C)CCc1ccccc1 270004a_100000225617_100000210092 [0,0,1,0,0,1|1,0,1]=4 3097 B15R1.826 C=CCN(C)C(C)COc1ccccc1 270004a_100000225617_100000150576 [0,0,1,0,0,1|1,0,1]=4 3098 B15R1.826 C=CCN(C)C(C)CSc1ccccc1 270004a_100000225617_100000150717 [0,0,1,0,0,1|1,0,1]=4 3099 B15R1.826 CC(CCO)N(C)CCc1ccccc1 2230a_100000207497_100009893172 [0,0,1,0,0,1|2,0,0]=4 3100 B15R1.826 CC(CCO)N(C)CCc1ccccc1 2230a_100000731037_100000765856 [0,0,1,0,0,1|2,0,0]=4 3101 B15R1.826 CC(CCO)N(C)CCc1ccccc1 269982a_100000207497_100009893172 [0,0,1,0,0,1|2,0,0]=4 3102 B15R1.826 CC(CCO)N(C)CCc1ccccc1 269982a_100000731037_100000765856 [0,0,1,0,0,1|2,0,0]=4 3103 B15R1.826 CC(CCO)N(C)CSc1ccccc1 2230a_100000731037_100011218342 [0,0,1,0,0,1|2,0,0]=4 3104 B15R1.826 CC(CCO)N(C)CSc1ccccc1 269982a_100000731037_100011218342 [0,0,1,0,0,1|2,0,0]=4 3105 B15R1.826 CC(CCc1ccccc1)C(=O)CCO 1458a_100011435293_100000211926 [0,0,1,0,0,1|2,0,0]=4 3106 B15R1.826 CC(CCc1ccccc1)N(C)CCO 270004a_100000210263_100000210092 [0,0,1,0,0,1|0,0,0]=2 3107 B15R1.826 CC(COc1ccccc1)N(C)CCO 2230a_200009868044_200000210301 [0,0,1,0,0,1|0,0,0]=2 3108 B15R1.826 CC(COc1ccccc1)N(C)CCO 269982a_200009868044_200000210301 [0,0,1,0,0,1|0,0,0]=2 3109 B15R1.826 CC(COc1ccccc1)N(C)CCO 270004a_100000210263_100000150576 [0,0,1,0,0,1|0,0,0]=2 3110 B15R1.826 CC(COc1ccccc1)N(C)CCO 34a_200009868044_200000210301 [0,0,1,0,0,1|0,0,0]=2 3111 B15R1.826 CC(COc1ccccc1)N([13CH3])CCO 2230a_200009868044_200025704644 [0,0,1,0,0,1|0,0,0]=2 3112 B15R1.826 CC(COc1ccccc1)N([13CH3])CCO 269982a_200009868044_200025704644 [0,0,1,0,0,1|0,0,0]=2 3113 B15R1.826 CC(COc1ccccc1)N([13CH3])CCO 34a_200009868044_200025704644 [0,0,1,0,0,1|0,0,0]=2 3114 B15R1.826 CC(CSc1ccccc1)N(C)CCO 270004a_100000210263_100000150717 [0,0,1,0,0,1|0,0,0]=2 3115 B15R1.826 CC(SCc1ccccc1)C(=O)CCO 1458a_100000149570_100000211926 [0,0,1,0,0,1|2,0,0]=4 3116 B15R1.826 CCCC(C)C(C)NCc1ccccc1 270004a_100015324214_100011216282 [0,0,1,0,0,1|2,0,0]=4 3117 B15R1.826 CCCC(C)C(C)OCc1ccccc1 34a_100000708338_100015291786 [0,0,1,0,0,1|2,0,0]=4 3118 B15R1.826 CCCC(C)C(C)OCc1ccccc1 7a_100000708338_100000211182 [0,0,1,0,0,1|2,0,0]=4 3119 B15R1.826 CCCN(C)C(C)CCc1ccccc1 270004a_100000747261_100000210092 [0,0,1,0,0,1|1,0,0]=3 3120 B15R1.826 CCCN(C)C(C)COc1ccccc1 270004a_100000747261_100000150576 [0,0,1,0,0,1|1,0,0]=3 3121 B15R1.826 CCCN(C)C(C)CSc1ccccc1 270004a_100000747261_100000150717 [0,0,1,0,0,1|1,0,0]=3 3122 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 240690a_100000210263_100000185753 [0,0,1,0,0,1|1,0,1]=4 3123 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 527a_100000210263_100000185753 [0,0,1,0,0,1|1,0,1]=4 3124 B15R1.826 CN(CCO)C(=O)COc1ccccc1 240690a_100000210263_100000186222 [0,0,1,0,0,1|1,0,1]=4 3125 B15R1.826 CN(CCO)C(=O)COc1ccccc1 527a_100000210263_100000186222 [0,0,1,0,0,1|1,0,1]=4 3126 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 240690a_100000210263_100000211596 [0,0,1,0,0,1|1,0,1]=4 3127 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 527a_100000210263_100000211596 [0,0,1,0,0,1|1,0,1]=4 3128 B15R1.826 CN(CCO)C(=O)NCc1ccccc1 2708a_100015324214_100000210263 [0,0,1,0,0,1|1,0,1]=4 3129 B15R1.826 CN(CCO)C(=O)NCc1ccccc1 273464a_100015324214_100000210263 [0,0,1,0,0,1|1,0,1]=4 3130 B15R1.826 C[C@H](OCc1ccccc1)C(=O)CCO 1458a_100000703211_100000211926 [0,0,1,0,0,1|2,0,0]=4 3131 B15R1.947 CCC(C)C(C)N[C@H](C)c1ccccc1 269862a_100000751104_100000210599 [0,0,1,0,0,1|2,0,0]=4 3132 B15R1.947 CCC(C)C(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000210599 [0,0,1,0,0,1|2,0,0]=4 3133 B15R1.947 CCC(C)C(C)OC(C)c1ccccc1 7a_100011215189_100000230085 [0,0,1,0,0,1|2,0,0]=4 3134 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 2230a_100000227976_100000758301 [0,0,1,0,0,1|2,0,0]=4 3135 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 2230a_100000741768_100000185958 [0,0,1,0,0,1|2,0,0]=4 3136 B15R1.947 CCC(C)N(C)CC(O)c1ccccc1 269982a_100000227976_100000758301 [0,0,1,0,0,1|2,0,0]=4 3137 B15R1.947 CCC(C)N(C)C[C@@H](O)c1ccccc1 2230a_100000741768_100011933945 [0,0,1,0,0,1|2,0,0]=4 3138 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 240690a_100000225621_100000690199 [0,0,1,0,0,1|1,0,1]=4 3139 B15R1.950 CCC(C)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011215416 [0,0,1,0,0,1|2,0,0]=4 3140 B15R1.1035 C#CCCOC(CC)Cc1ccccc1 7a_100000760156_100000688953 [0,0,1,0,0,1|1,0,1]=4 3141 B15R1.1035 C/C=C/COC(CC)Cc1ccccc1 7a_100000760156_100102629194 [0,0,1,0,0,1|1,0,1]=4 3142 B15R1.1035 C=CCCOC(CC)Cc1ccccc1 7a_100000760156_100000754431 [0,0,1,0,0,1|1,0,1]=4 3143 B15R1.1035 CC#CCOC(CC)Cc1ccccc1 7a_100000760156_100000748600 [0,0,1,0,0,1|1,0,1]=4 3144 B15R1.1035 CC=CCOC(CC)Cc1ccccc1 7a_100000760156_100000070051 [0,0,1,0,0,1|1,0,1]=4 3145 B15R1.1035 CCC(Cc1ccccc1)NCCOC 270004a_100000209980_100000212045 [0,0,1,0,0,1|2,0,0]=4 3146 B15R1.1035 CCC(Cc1ccccc1)NCCSC 270004a_100020590264_100000212045 [0,0,1,0,0,1|2,0,0]=4 3147 B15R1.1035 CCC(Cc1ccccc1)OCCC#N 7a_100000760156_100000184422 [0,0,1,0,0,1|2,0,0]=4 3148 B15R1.1035 CCC(Cc1ccccc1)OCCCF 7a_100000760156_100011934791 [0,0,1,0,0,1|2,0,0]=4 3149 B15R1.1035 CCC(Cc1ccccc1)OCCCO 7a_100000760156_100011215043 [0,0,1,0,0,1|2,0,0]=4 3150 B15R1.1035 CCC(Cc1ccccc1)OCCOC 7a_100000760156_100000233755 [0,0,1,0,0,1|1,0,0]=3 3151 B15R1.1035 CCC(Cc1ccccc1)OCCSC 7a_100000760156_100000212216 [0,0,1,0,0,1|1,0,0]=3 3152 B15R1.1035 CCCCNC(CC)Cc1ccccc1 270004a_100000102301_100000212045 [0,0,1,0,0,1|2,0,0]=4 3153 B15R1.1035 CCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210211 [0,0,1,0,0,1|1,0,0]=3 3154 B15R1.1035 CCCCOC(CN)Cc1ccccc1 34a_100000752270_100000210210 [0,0,1,0,0,1|2,0,0]=4 3155 B15R1.1035 CCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210211 [0,0,1,0,0,1|2,0,0]=4 3156 B15R1.1035 COCCOC(CN)Cc1ccccc1 34a_100000752270_100011201679 [0,0,1,0,0,1|2,0,0]=4 3157 B15R1.1035 COCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000233755 [0,0,1,0,0,1|2,0,0]=4 3158 B15R1.1035 CSCCOC(CN)Cc1ccccc1 34a_100000752270_100000212216 [0,0,1,0,0,1|2,0,0]=4 3159 B15R1.1035 CSCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000212216 [0,0,1,0,0,1|2,0,0]=4 3160 B15R1.4388 CCCC(NC(C)CC)c1ccccc1 2230a_100000189686_100000758301 [0,0,1,0,0,1|2,0,0]=4 3161 B15R1.4388 CCCC(NC(C)CC)c1ccccc1 269862a_100000209981_100000211045 [0,0,1,0,0,1|2,0,0]=4 3162 B15R1.4388 CCCC(NC(C)CC)c1ccccc1 34a_100000189686_100011215416 [0,0,1,0,0,1|2,0,0]=4 3163 B15R1.4388 CCCC(OC(C)CC)c1ccccc1 34a_100000747916_100011215416 [0,0,1,0,0,1|2,0,0]=4 3164 B15R1.4388 CCCC(OC(C)CC)c1ccccc1 7a_100000747916_100000758301 [0,0,1,0,0,1|2,0,0]=4 3165 B15R1.962 CC(CF)OCCOCc1ccccc1 34a_100016041109_100000234347 [0,0,1,0,0,1|2,0,0]=4 3166 B15R1.962 CC(CF)OCCOCc1ccccc1 7a_100016041109_100000234347 [0,0,1,0,0,1|2,0,0]=4 3167 B15R1.962 CC(CN)COCOCc1ccccc1 34a_100000744482_100000763385 [0,0,1,0,0,1|2,0,0]=4 3168 B15R1.962 CC(CN)OCCOCc1ccccc1 34a_100000210904_100000234347 [0,0,1,0,0,1|2,0,0]=4 3169 B15R1.962 CC(CO)CNCOCc1ccccc1 34a_100000744482_100000763385 [0,0,1,0,0,1|2,0,0]=4 3170 B15R1.962 CC(CO)NCCOCc1ccccc1 2230a_100000753106_100012180447 [0,0,1,0,0,1|2,0,0]=4 3171 B15R1.962 CC(CO)NCCOCc1ccccc1 34a_100000753106_100012180447 [0,0,1,0,0,1|2,0,0]=4 3172 B15R1.962 CC(CO)OCCOCc1ccccc1 34a_100000759325_100012180447 [0,0,1,0,0,1|2,0,0]=4 3173 B15R1.962 CC(CO)OCCOCc1ccccc1 7a_100000759325_100012180447 [0,0,1,0,0,1|2,0,0]=4 3174 B15R1.962 CC(CO)SCCOCc1ccccc1 62a_100012180447_100000234347 [0,0,1,0,0,1|2,0,0]=4 3175 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000210414_100011215529 [0,0,1,0,0,1|2,0,0]=4 3176 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000748059_100000210202 [0,0,1,0,0,1|2,0,0]=4 3177 B15R1.962 CCC(=O)COCOCc1ccccc1 34a_100000725409_100000763385 [0,0,1,0,0,1|2,0,0]=4 3178 B15R1.962 CCC(=O)CSCOCc1ccccc1 62a_100000747405_100000763385 [0,0,1,0,0,1|2,0,0]=4 3179 B15R1.962 CCC(=O)CSCOCc1ccccc1 62a_100000763385_100000747405 [0,0,1,0,0,1|2,0,0]=4 3180 B15R1.962 CCC(=O)NCCOCc1ccccc1 11a_100000753106_100000210414 [0,0,1,0,0,1|2,0,0]=4 3181 B15R1.962 CCC(=O)NCCOCc1ccccc1 1626a_100000753106_100000210414 [0,0,1,0,0,1|2,0,0]=4 3182 B15R1.962 CCC(=O)NCCOCc1ccccc1 240690a_100000753106_100000210414 [0,0,1,0,0,1|2,0,0]=4 3183 B15R1.962 CCC(=O)NCCOCc1ccccc1 34a_200000158885_100015291786 [0,0,1,0,0,1|2,0,0]=4 3184 B15R1.962 CCC(=O)NCCOCc1ccccc1 527a_100000753106_100000210414 [0,0,1,0,0,1|2,0,0]=4 3185 B15R1.962 CCC(=O)NCCOCc1ccccc1 7a_200000158885_100000211182 [0,0,1,0,0,1|2,0,0]=4 3186 B15R1.962 CCC(=O)OCCOCc1ccccc1 7a_200000031056_100000211182 [0,0,1,0,0,1|2,0,0]=4 3187 B15R1.962 CCC(C)CCCOCc1ccccc1 7a_100011216074_100000211182 [0,0,1,0,0,1|1,0,0]=3 3188 B15R1.962 CCC(C)CCCOCc1ccccn1 7a_100011216074_100000721315 [0,0,1,0,0,1|2,0,0]=4 3189 B15R1.962 CCC(C)CCCOCc1cccnc1 7a_100011216074_100000741622 [0,0,1,0,0,1|2,0,0]=4 3190 B15R1.962 CCC(C)CCCOCc1ccncc1 7a_100011216074_100015193705 [0,0,1,0,0,1|2,0,0]=4 3191 B15R1.962 CCC(C)CCNCCc1ccccc1 2230a_100020591266_100000765856 [0,0,1,0,0,1|2,0,0]=4 3192 B15R1.962 CCC(C)CCNCSc1ccccc1 2230a_100020591266_100011218342 [0,0,1,0,0,1|2,0,0]=4 3193 B15R1.962 CCC(C)CCOCCc1ccccc1 7a_100011215188_100000765856 [0,0,1,0,0,1|1,0,0]=3 3194 B15R1.962 CCC(C)CCOCCc1ccccn1 7a_100011215188_100015183660 [0,0,1,0,0,1|2,0,0]=4 3195 B15R1.962 CCC(C)CCOCCc1cccnc1 7a_100011215188_200011713674 [0,0,1,0,0,1|2,0,0]=4 3196 B15R1.962 CCC(C)CCOCCc1ccncc1 7a_100011215188_100000723409 [0,0,1,0,0,1|2,0,0]=4 3197 B15R1.962 CCC(C)CNCCCc1ccccc1 2230a_100000211184_100000748023 [0,0,1,0,0,1|2,0,0]=4 3198 B15R1.962 CCC(C)CNCCCc1ccccc1 2230a_100020588543_100000211621 [0,0,1,0,0,1|2,0,0]=4 3199 B15R1.962 CCC(C)CNCCCc1ccccc1 270004a_100000211184_100000243153 [0,0,1,0,0,1|2,0,0]=4 3200 B15R1.962 CCC(C)CNCCCc1ccccc1 34a_100000211184_100000748023 [0,0,1,0,0,1|2,0,0]=4 3201 B15R1.962 CCC(C)CNCOCc1ccccc1 2230a_100020588543_100000763385 [0,0,1,0,0,1|1,0,0]=3 3202 B15R1.962 CCC(C)CNCSCc1ccccc1 2230a_100020588543_200011217039 [0,0,1,0,0,1|1,1,0]=4 3203 B15R1.962 CCC(C)COCCCc1ccccc1 34a_100000210828_100000748023 [0,0,1,0,0,1|2,0,0]=4 3204 B15R1.962 CCC(C)COCCCc1ccccc1 7a_100000210828_100000748023 [0,0,1,0,0,1|2,0,0]=4 3205 B15R1.962 CCC(C)CSCCCc1ccccc1 62a_100000211621_100000748023 [0,0,1,0,0,1|2,0,0]=4 3206 B15R1.962 CCC(C)CSCCCc1ccccc1 62a_100000748023_100000211621 [0,0,1,0,0,1|2,0,0]=4 3207 B15R1.962 CCC(C)CSCOCc1ccccc1 62a_100000748023_100000763385 [0,0,1,0,0,1|1,0,0]=3 3208 B15R1.962 CCC(C)CSCOCc1ccccc1 62a_100000763385_100000748023 [0,0,1,0,0,1|1,0,0]=3 3209 B15R1.962 CCC(C)CSCSCc1ccccc1 62a_100000748023_200011217039 [0,0,1,0,0,1|1,1,0]=4 3210 B15R1.962 CCC(C)CSCSCc1ccccc1 62a_200011217039_100000748023 [0,0,1,0,0,1|1,1,0]=4 3211 B15R1.962 CCC(C)NCCCCc1ccccc1 2230a_100000209981_100000701786 [0,0,1,0,0,1|2,0,0]=4 3212 B15R1.962 CCC(C)NCCCCc1ccccc1 2230a_100015280158_100000758301 [0,0,1,0,0,1|2,0,0]=4 3213 B15R1.962 CCC(C)NCCCCc1ccccc1 34a_100015280158_100011215416 [0,0,1,0,0,1|2,0,0]=4 3214 B15R1.962 CCC(C)NCCOCc1ccccc1 2230a_100000209981_100000234347 [0,0,1,0,0,1|1,0,0]=3 3215 B15R1.962 CCC(C)NCCOCc1ccccc1 2230a_100000753106_100000758301 [0,0,1,0,0,1|1,0,0]=3 3216 B15R1.962 CCC(C)NCCOCc1ccccc1 34a_100000753106_100011215416 [0,0,1,0,0,1|1,0,0]=3 3217 B15R1.962 CCC(C)NCCSCc1ccccc1 2230a_100000189534_100000758301 [0,0,1,0,0,1|1,1,0]=4 3218 B15R1.962 CCC(C)NCCSCc1ccccc1 2230a_100000209981_200011297719 [0,0,1,0,0,1|1,1,0]=4 3219 B15R1.962 CCC(C)NCCSCc1ccccc1 34a_100000189534_100011215416 [0,0,1,0,0,1|1,1,0]=4 3220 B15R1.962 CCC(C)NCCSCc1ccccc1 7a_100000189534_100000758301 [0,0,1,0,0,1|1,1,0]=4 3221 B15R1.962 CCC(C)OCCCCc1ccccc1 34a_100000703073_100011215416 [0,0,1,0,0,1|2,0,0]=4 3222 B15R1.962 CCC(C)OCCCCc1ccccc1 7a_100000210228_100000701786 [0,0,1,0,0,1|2,0,0]=4 3223 B15R1.962 CCC(C)OCCCCc1ccccc1 7a_100000703073_100000758301 [0,0,1,0,0,1|2,0,0]=4 3224 B15R1.962 CCC(C)OCCNCc1ccccc1 34a_100000180844_100011215416 [0,0,1,0,0,1|2,0,0]=4 3225 B15R1.962 CCC(C)OCCOCc1ccccc1 34a_100000759325_100011215416 [0,0,1,0,0,1|1,0,0]=3 3226 B15R1.962 CCC(C)OCCOCc1ccccc1 7a_100000210228_100000234347 [0,0,1,0,0,1|1,0,0]=3 3227 B15R1.962 CCC(C)OCCOCc1ccccc1 7a_100000759325_100000758301 [0,0,1,0,0,1|1,0,0]=3 3228 B15R1.962 CCC(C)OCCSCc1ccccc1 34a_100011205989_100011215416 [0,0,1,0,0,1|1,1,0]=4 3229 B15R1.962 CCC(C)OCCSCc1ccccc1 7a_100011205989_100000758301 [0,0,1,0,0,1|1,1,0]=4 3230 B15R1.962 CCC(C)SCCCCc1ccccc1 62a_100000701786_100000758301 [0,0,1,0,0,1|2,0,0]=4 3231 B15R1.962 CCC(C)SCCCCc1ccccc1 62a_100000758301_100000701786 [0,0,1,0,0,1|2,0,0]=4 3232 B15R1.962 CCC(C)SCCOCc1ccccc1 62a_100000234347_100000758301 [0,0,1,0,0,1|1,0,0]=3 3233 B15R1.962 CCC(C)SCCOCc1ccccc1 62a_100000758301_100000234347 [0,0,1,0,0,1|1,0,0]=3 3234 B15R1.962 CCC(C)SCCSCc1ccccc1 62a_100000758301_200011297719 [0,0,1,0,0,1|1,1,0]=4 3235 B15R1.962 CCC(C)SCCSCc1ccccc1 62a_200011297719_100000758301 [0,0,1,0,0,1|1,1,0]=4 3236 B15R1.962 CCC(O)CNCOCc1ccccc1 2230a_100011218483_100000763385 [0,0,1,0,0,1|2,0,0]=4 3237 B15R1.962 CCC(O)CSCOCc1ccccc1 62a_100000763385_100011218378 [0,0,1,0,0,1|2,0,0]=4 3238 B15R1.962 CCC(O)CSCOCc1ccccc1 62a_100011218378_100000763385 [0,0,1,0,0,1|2,0,0]=4 3239 B15R1.962 CCN(C)CCCCCc1ccccc1 2230a_100000225621_200011217138 [0,0,1,0,0,1|1,0,0]=3 3240 B15R1.962 CCN(C)CCCCCc1ccccc1 269982a_100000225621_200011217138 [0,0,1,0,0,1|1,0,0]=3 3241 B15R1.962 CCN(C)CCCCOc1ccccc1 2230a_100000225621_100011215240 [0,0,1,0,0,1|1,0,0]=3 3242 B15R1.962 CCN(C)CCCCOc1ccccc1 269982a_100000225621_100011215240 [0,0,1,0,0,1|1,0,0]=3 3243 B15R1.962 CCN(C)CCCNCc1ccccc1 2230a_100015324214_100015186262 [0,0,1,0,0,1|1,0,0]=3 3244 B15R1.962 CCN(C)CCCOCc1ccccc1 2230a_100000225621_100011215529 [0,0,1,0,0,1|0,0,0]=2 3245 B15R1.962 CCN(C)CCCOCc1ccccc1 2230a_100000233174_100000210202 [0,0,1,0,0,1|0,0,0]=2 3246 B15R1.962 CCN(C)CCCOCc1ccccc1 269982a_100000225621_100011215529 [0,0,1,0,0,1|0,0,0]=2 3247 B15R1.962 CCN(C)CCCOCc1ccccc1 269982a_100000233174_100000204670 [0,0,1,0,0,1|0,0,0]=2 3248 B15R1.962 CCN(C)CCCOCc1ccccc1 7a_100000210790_100015186262 [0,0,1,0,0,1|0,0,0]=2 3249 B15R1.962 CCN(C)CCCSCc1ccccc1 62a_100000211182_100015186262 [0,0,1,0,0,1|0,1,0]=3 3250 B15R1.962 CCN(C)CCCSCc1ccccn1 62a_100000721315_100015186262 [0,0,1,0,0,1|1,1,0]=4 3251 B15R1.962 CCN(C)CCCSCc1cccnc1 62a_100000741622_100015186262 [0,0,1,0,0,1|1,1,0]=4 3252 B15R1.962 CCN(C)CCCSCc1ccncc1 62a_100015193705_100015186262 [0,0,1,0,0,1|1,1,0]=4 3253 B15R1.962 CC[C@H](C)CNCCCc1ccccc1 2230a_100000211184_100009816398 [0,0,1,0,0,1|2,0,0]=4 3254 B15R1.962 CC[C@H](C)CNCCCc1ccccc1 34a_100000211184_100009816398 [0,0,1,0,0,1|2,0,0]=4 3255 B15R1.962 CC[C@H](C)COCCCc1ccccc1 34a_100000210828_100009816398 [0,0,1,0,0,1|2,0,0]=4 3256 B15R1.962 CC[C@H](C)COCCCc1ccccc1 7a_100000210828_100009816398 [0,0,1,0,0,1|2,0,0]=4 3257 B15R1.962 CC[C@H](C)COCCCc1ccccc1 7a_100009816381_100000211621 [0,0,1,0,0,1|2,0,0]=4 3258 B15R1.962 CC[C@H](C)CSCCCc1ccccc1 62a_100000211621_100009816398 [0,0,1,0,0,1|2,0,0]=4 3259 B15R1.962 CC[C@H](C)CSCCCc1ccccc1 62a_100009816398_100000211621 [0,0,1,0,0,1|2,0,0]=4 3260 B15R1.962 CC[C@H](C)CSCOCc1ccccc1 62a_100000763385_100009816398 [0,0,1,0,0,1|1,0,0]=3 3261 B15R1.962 CC[C@H](C)CSCOCc1ccccc1 62a_100009816398_100000763385 [0,0,1,0,0,1|1,0,0]=3 3262 B15R1.962 CC[C@H](C)CSCSCc1ccccc1 62a_100009816398_200011217039 [0,0,1,0,0,1|1,1,0]=4 3263 B15R1.962 CC[C@H](C)CSCSCc1ccccc1 62a_200011217039_100009816398 [0,0,1,0,0,1|1,1,0]=4 3264 B15R1.962 CN(CF)CCCOCc1ccccc1 269982a_100000233174_100015361967 [0,0,1,0,0,1|1,0,0]=3 3265 B15R1.962 COC(C)CCOCCc1ccccc1 7a_100000764861_100000765856 [0,0,1,0,0,1|2,0,0]=4 3266 B15R1.962 COC(C)COCOCc1ccccc1 34a_100000690652_100000763385 [0,0,1,0,0,1|2,0,0]=4 3267 B15R1.962 COC(C)SCCOCc1ccccc1 62a_100000234347_100009879195 [0,0,1,0,0,1|2,0,0]=4 3268 B15R1.962 COC(C)SCCOCc1ccccc1 62a_100009879195_100000234347 [0,0,1,0,0,1|2,0,0]=4 3269 B15R1.962 CO[C@H](C)CNCOCc1ccccc1 2230a_100020591295_100000763385 [0,0,1,0,0,1|2,0,0]=4 3270 B15R1.962 C[C@@H](CN)CCCOCc1ccccc1 34a_100160569302_100015291786 [0,0,1,0,0,1|2,0,0]=4 3271 B15R1.962 C[C@@H](CO)CSCOCc1ccccc1 62a_100000059175_100000763385 [0,0,1,0,0,1|2,0,0]=4 3272 B15R1.962 C[C@@H](CO)CSCOCc1ccccc1 62a_100000763385_100000059175 [0,0,1,0,0,1|2,0,0]=4 3273 B15R1.962 C[C@H](CO)NCCOCc1ccccc1 2230a_100000737577_100000234347 [0,0,1,0,0,1|2,0,0]=4 3274 B15R1.962 C[C@H](CO)SCCOCc1ccccc1 62a_100000234347_100016084084 [0,0,1,0,0,1|2,0,0]=4 3275 B15R1.962 C[C@H](CO)SCCOCc1ccccc1 62a_100016084084_100000234347 [0,0,1,0,0,1|2,0,0]=4 3276 B15R1.523 CCC(NC(C)C(C)C)c1ccccc1 269862a_100000211541_100000210124 [0,0,1,0,0,1|2,0,0]=4 3277 B15R1.1350 CCN(c1ccccc1)C(C)CN(C)C 269982a_100000210013_100020606517 [0,0,1,0,0,1|2,0,0]=4 3278 B15R2.31 CN1CCCC(C1)Cc2ccccc2 2230a_100000752525_200000210301 [1,0,0,0,0,1|1,0,0]=3 3279 B15R2.31 CN1CCCC(C1)Cc2ccccc2 269982a_100000752525_200000210301 [1,0,0,0,0,1|1,0,0]=3 3280 B15R2.31 CN1CCCC(C1)Cc2ccccc2 34a_100000752525_200000210301 [1,0,0,0,0,1|1,0,0]=3 3281 B15R2.31 CN1CCCC(C1)Oc2ccccc2 2230a_100015203908_200000210301 [1,0,0,0,0,1|1,0,0]=3 3282 B15R2.31 CN1CCCC(C1)Oc2ccccc2 269982a_100015203908_200000210301 [1,0,0,0,0,1|1,0,0]=3 3283 B15R2.31 CN1CCCC(C1)Oc2ccccc2 34a_100015203908_200000210301 [1,0,0,0,0,1|1,0,0]=3 3284 B15R2.31 CN1CCCC(C1)Oc2ccncc2 2230a_200020605211_200000210301 [1,0,0,0,0,1|2,0,0]=4 3285 B15R2.31 CN1CCCC(C1)Oc2ccncc2 269982a_200020605211_200000210301 [1,0,0,0,0,1|2,0,0]=4 3286 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [1,0,0,0,0,1|0,0,0]=2 3287 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [1,0,0,0,0,1|0,0,0]=2 3288 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [1,0,0,0,0,1|0,0,0]=2 3289 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 2230a_100000752525_200025704644 [1,0,0,0,0,1|1,0,0]=3 3290 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 269982a_100000752525_200025704644 [1,0,0,0,0,1|1,0,0]=3 3291 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 34a_100000752525_200025704644 [1,0,0,0,0,1|1,0,0]=3 3292 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccccc2 2230a_100015203908_200025704644 [1,0,0,0,0,1|1,0,0]=3 3293 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccccc2 269982a_100015203908_200025704644 [1,0,0,0,0,1|1,0,0]=3 3294 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccccc2 34a_100015203908_200025704644 [1,0,0,0,0,1|1,0,0]=3 3295 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccncc2 2230a_200020605211_200025704644 [1,0,0,0,0,1|2,0,0]=4 3296 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccncc2 269982a_200020605211_200025704644 [1,0,0,0,0,1|2,0,0]=4 3297 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [1,0,0,0,0,1|0,0,0]=2 3298 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [1,0,0,0,0,1|0,0,0]=2 3299 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [1,0,0,0,0,1|0,0,0]=2 3300 B17R2.5274 CC1CCCC(C1C)NCc2ccccc2 207a_100000211273_100015611070 [0,0,0,0,0,2|2,0,0]=4 3301 B17R2.5274 CC1CCCC(C1C)NCc2ccccc2 2230a_100000211273_100015291786 [0,0,0,0,0,2|2,0,0]=4 3302 B17R2.5274 CC1CCCC(C1C)NCc2ccccc2 270004a_100000211273_100015611070 [0,0,0,0,0,2|2,0,0]=4 3303 B17R2.5274 CC1CCCC(C1C)NCc2ccccc2 34a_100000211273_100015291786 [0,0,0,0,0,2|2,0,0]=4 3304 B17R2.5274 CC1CCCC(C1C)OCc2ccccc2 34a_100011217532_100015291786 [0,0,0,0,0,2|2,0,0]=4 3305 B17R2.5274 CC1CCCC(C1C)OCc2ccccc2 7a_100011217532_100000211182 [0,0,0,0,0,2|2,0,0]=4 3306 B17R2.19982 CC1CN(CCCN1Cc2ccccc2)C 269982a_100011935175_100000211182 [0,0,0,0,0,2|2,0,0]=4