0 B15R2.314 C[C@@H]1CN(C[C@@H]1O)Cc2ccccc2 2230a_200015306588_100015291786 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.314 C[C@@H]1CN(C[C@@H]1O)Cc2ccccc2 269982a_200015306588_100000211182 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.314 C[C@@H]1CN(C[C@@H]1O)Cc2ccccc2 270004a_200015306588_100015611070 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 2230a_100016987628_100015291786 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 269982a_100016987628_100000211182 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 270004a_100016987628_100015611070 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 34a_100016987628_100015291786 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.494 CCCC(CCC)Nc1ccccc1 34a_100000106764_200011218217 [0,0,1,0,0,0|3,0,0]=4 8 B14R1.494 CCCC(CCC)Oc1ccccc1 34a_100000210340_200011218217 [0,0,1,0,0,0|3,0,0]=4 9 B14R1.494 CCCC(CCC)Oc1ccccc1 7a_100000210340_200011218217 [0,0,1,0,0,0|3,0,0]=4 10 B14R1.494 CCCC(CCC)Sc1ccccc1 62a_100000719477_200011218217 [0,0,1,0,0,0|3,0,0]=4 11 B14R1.494 CCCC(CCC)Sc1ccccc1 62a_200011218217_100000041952 [0,0,1,0,0,0|3,0,0]=4 12 B14R1.494 CCCN(CCC)Cc1ccccc1 2230a_100000184400_100000210303 [0,0,1,0,0,0|3,0,0]=4 13 B14R1.494 CCCN(CCC)Cc1ccccc1 2230a_100000210455_100015291786 [0,0,1,0,0,0|3,0,0]=4 14 B14R1.494 CCCN(CCC)Cc1ccccc1 269982a_100000184400_100000210303 [0,0,1,0,0,0|3,0,0]=4 15 B14R1.494 CCCN(CCC)Cc1ccccc1 269982a_100000210455_100000211182 [0,0,1,0,0,0|3,0,0]=4 16 B14R1.494 CCCN(CCC)Cc1ccccc1 270004a_100000210455_100015611070 [0,0,1,0,0,0|3,0,0]=4 17 B14R1.494 CCNC(COC)Cc1ccccc1 2230a_100000766165_100000210202 [0,0,1,0,0,0|3,0,0]=4 18 B14R1.743 C#CC(C)OC(C)Cc1ccccc1 34a_100000748627_200000035995 [0,0,1,0,0,0|1,0,2]=4 19 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 34a_100009815206_200011218536 [0,0,1,0,0,0|1,0,2]=4 20 B14R1.743 C#C[C@@H](C)OC(C)Cc1ccccc1 7a_100009815206_200011218536 [0,0,1,0,0,0|1,0,2]=4 21 B14R1.743 C=CC(C)OC(C)Cc1ccccc1 34a_100000695699_200011218536 [0,0,1,0,0,0|1,0,2]=4 22 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 34a_100011218135_200011218536 [0,0,1,0,0,0|2,0,1]=4 23 B14R1.743 CC(C#N)OC(C)Cc1ccccc1 7a_100000748627_100000703298 [0,0,1,0,0,0|2,0,1]=4 24 B14R1.743 CC(CF)OC(C)Cc1ccccc1 34a_100016041109_200011218536 [0,0,1,0,0,0|2,0,0]=3 25 B14R1.743 CC(CF)OC(C)Cc1ccccc1 7a_100016041109_200011218536 [0,0,1,0,0,0|2,0,0]=3 26 B14R1.743 CC(CN)OC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,0,1,0,0,0|2,0,0]=3 27 B14R1.743 CC(CO)OC(C)Cc1ccccc1 34a_100000748627_100012180447 [0,0,1,0,0,0|2,0,0]=3 28 B14R1.743 CC(CO)OC(C)Cc1ccccc1 7a_100000748627_100012180447 [0,0,1,0,0,0|2,0,0]=3 29 B14R1.743 CC(CO)SC(C)Cc1ccccc1 62a_100012180447_200011218536 [0,0,1,0,0,0|2,1,0]=4 30 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_100016084084_200011218536 [0,0,1,0,0,0|2,1,0]=4 31 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_200011218536_100016084084 [0,0,1,0,0,0|2,1,0]=4 32 B14R1.743 CCC(C)CC(=O)Cc1ccccc1 1458a_100000708755_100015291786 [0,0,1,0,0,0|1,0,2]=4 33 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748023 [0,0,1,0,0,0|3,0,0]=4 34 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000753921_100015291786 [0,0,1,0,0,0|3,0,0]=4 35 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748023 [0,0,1,0,0,0|3,0,0]=4 36 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000753921_100000211182 [0,0,1,0,0,0|3,0,0]=4 37 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243153 [0,0,1,0,0,0|3,0,0]=4 38 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000753921_100015611070 [0,0,1,0,0,0|3,0,0]=4 39 B14R1.743 CCC(C)NC(C)C[n+]1ccccc1 270004a_100000209981_100000034229 [0,0,1,0,0,0|3,0,0]=4 40 B14R1.743 CCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000758301 [0,0,1,0,0,0|3,0,0]=4 41 B14R1.743 CCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000758301 [0,0,1,0,0,0|3,0,0]=4 42 B14R1.743 CCC(C)NC(C)Cc1cccnc1 270004a_100000209981_100015187140 [0,0,1,0,0,0|3,0,0]=4 43 B14R1.743 CCC(C)NC(C)Cc1ccncc1 270004a_100000209981_100000238508 [0,0,1,0,0,0|3,0,0]=4 44 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [0,0,1,0,0,0|1,0,0]=2 45 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [0,0,1,0,0,0|1,0,0]=2 46 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [0,0,1,0,0,0|1,0,0]=2 47 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_100000758301_200011218536 [0,0,1,0,0,0|1,1,0]=3 48 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000758301 [0,0,1,0,0,0|1,1,0]=3 49 B14R1.743 CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225621_100000729385 [0,0,1,0,0,0|2,0,0]=3 50 B14R1.743 CCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000225621_100000729385 [0,0,1,0,0,0|2,0,0]=3 51 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 2230a_100000186898_100009816398 [0,0,1,0,0,0|3,0,0]=4 52 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 269982a_100000186898_100009816398 [0,0,1,0,0,0|3,0,0]=4 53 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_100009879195_200011218536 [0,0,1,0,0,0|2,1,0]=4 54 B14R1.743 COC(C)SC(C)Cc1ccccc1 62a_200011218536_100009879195 [0,0,1,0,0,0|2,1,0]=4 55 B14R1.6449 C=C(C)C(C)NCCc1ccccc1 269862a_100000106460_100011216138 [0,0,1,0,0,0|2,0,1]=4 56 B14R1.6449 CC(=NNCc1ccccc1)C(C)O 4a_100000007032_100000212229 [0,0,1,0,0,0|2,0,1]=4 57 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,0,1,0,0,0|1,0,2]=4 58 B14R1.6449 CC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100009814033 [0,0,1,0,0,0|1,0,2]=4 59 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 34a_100000212229_100000765856 [0,0,1,0,0,0|0,0,2]=3 60 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000179758 [0,0,1,0,0,0|0,0,2]=3 61 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100000765856_100009814033 [0,0,1,0,0,0|0,1,2]=4 62 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100009814033_100011218657 [0,0,1,0,0,0|0,1,2]=4 63 B14R1.6449 CC(C)C(C)NCCc1ccccc1 2230a_100000211541_100000765856 [0,0,1,0,0,0|2,0,0]=3 64 B14R1.6449 CC(C)C(C)NCCc1ccccn1 2230a_100000211541_100015183660 [0,0,1,0,0,0|3,0,0]=4 65 B14R1.6449 CC(C)C(C)NCCc1cccnc1 2230a_100000211541_200011713674 [0,0,1,0,0,0|3,0,0]=4 66 B14R1.6449 CC(C)C(C)NCCc1ccncc1 2230a_100000211541_100000723409 [0,0,1,0,0,0|3,0,0]=4 67 B14R1.6449 CC(C)C(C)NCSc1ccccc1 2230a_100000211541_100011218342 [0,0,1,0,0,0|3,0,0]=4 68 B14R1.6449 CC(C)C(C)OCCc1ccccc1 7a_100000748068_100000765856 [0,0,1,0,0,0|1,0,0]=2 69 B14R1.6449 CC(C)C(C)OCCc1ccccn1 7a_100000748068_100015183660 [0,0,1,0,0,0|2,0,0]=3 70 B14R1.6449 CC(C)C(C)OCCc1cccnc1 7a_100000748068_200011713674 [0,0,1,0,0,0|2,0,0]=3 71 B14R1.6449 CC(C)C(C)OCCc1ccncc1 7a_100000748068_100000723409 [0,0,1,0,0,0|2,0,0]=3 72 B14R1.6449 CC(C)N(C)CCCc1ccccc1 2230a_100000693637_100000210206 [0,0,1,0,0,0|3,0,0]=4 73 B14R1.6449 CC(C)N(C)CCCc1ccccc1 269982a_100000693637_100000210206 [0,0,1,0,0,0|3,0,0]=4 74 B14R1.6449 CC(C)N(C)CCCc1ccccc1 269982a_200000211004_100000211621 [0,0,1,0,0,0|3,0,0]=4 75 B14R1.6449 CC(CCCc1ccccc1)N(C)C 2230a_100102631434_200010759516 [0,0,1,0,0,0|3,0,0]=4 76 B14R1.6449 CC(CCCc1ccccc1)N(C)C 269982a_100102631434_200010759516 [0,0,1,0,0,0|3,0,0]=4 77 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,0,1,0,0,0|1,0,2]=4 78 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,0,1,0,0,0|1,0,2]=4 79 B14R1.6449 C[C@@H](O)C(=O)CCCc1ccccc1 1458a_100000717761_100000211621 [0,0,1,0,0,0|2,0,1]=4 80 B14R1.6449 C[C@@H](O)C(=O)NCCc1ccccc1 240690a_100000106460_100000717761 [0,0,1,0,0,0|2,0,1]=4 81 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,0,1,0,0,0|1,0,2]=4 82 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,0,1,0,0,0|1,0,2]=4 83 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,0,1,0,0,0|2,0,1]=4 84 B14R1.6449 C[C@H](O)C(=O)CCCc1ccccc1 1458a_217856618621_100000211621 [0,0,1,0,0,0|2,0,1]=4 85 B14R1.6449 C[C@H](O)C(=O)NCCc1ccccc1 1626a_100000106460_217856618621 [0,0,1,0,0,0|2,0,1]=4 86 B14R1.6449 C[C@H](O)C(=O)NCCc1ccccc1 240690a_100000106460_217856618621 [0,0,1,0,0,0|2,0,1]=4 87 B14R1.6449 C[C@H](OCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000765856 [0,0,1,0,0,0|1,0,2]=4 88 B14R2.427 C[C@H]1[C@H](CN1Cc2ccccc2)O 2230a_206633788156_100015291786 [0,0,0,0,1,0|3,0,0]=4 89 B14R2.427 C[C@H]1[C@H](CN1Cc2ccccc2)O 269982a_206633788156_100000211182 [0,0,0,0,1,0|3,0,0]=4 90 B14R2.427 C[C@H]1[C@H](CN1Cc2ccccc2)O 270004a_206633788156_100015611070 [0,0,0,0,1,0|3,0,0]=4 91 B16R2.2822 CC1CC(CN(C1)Cc2ccccc2)C 2230a_100000210448_100015291786 [0,0,0,0,0,1|3,0,0]=4 92 B16R2.2822 CC1CC(CN(C1)Cc2ccccc2)C 269982a_100000210448_100000211182 [0,0,0,0,0,1|3,0,0]=4 93 B16R2.2822 CC1CC(CN(C1)Cc2ccccc2)C 270004a_100000210448_100015611070 [0,0,0,0,0,1|3,0,0]=4 94 B16R2.2822 CC1CC(CN(C1)Cc2ccccc2)C 34a_100000210448_100015291786 [0,0,0,0,0,1|3,0,0]=4 95 B16R2.2822 CC1CN(CC(O1)C)Cc2ccccc2 2230a_100000210032_100015291786 [0,0,0,0,0,1|3,0,0]=4 96 B16R2.2822 CC1CN(CC(O1)C)Cc2ccccc2 269982a_100000210032_100000211182 [0,0,0,0,0,1|3,0,0]=4 97 B16R2.2822 CC1CN(CC(O1)C)Cc2ccccc2 270004a_100000210032_100015611070 [0,0,0,0,0,1|3,0,0]=4 98 B16R2.2822 CC1CN(CC(O1)C)Cc2ccccc2 34a_100000210032_100015291786 [0,0,0,0,0,1|3,0,0]=4 99 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [1,0,1,0,0,0|0,0,2]=4 100 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [1,0,1,0,0,0|0,0,2]=4 101 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [1,0,1,0,0,0|1,0,0]=3 102 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [1,0,1,0,0,0|2,0,0]=4 103 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [1,0,1,0,0,0|2,0,0]=4 104 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [1,0,1,0,0,0|2,0,0]=4 105 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [1,0,1,0,0,0|2,0,0]=4 106 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [1,0,1,0,0,0|2,0,0]=4 107 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [1,0,1,0,0,0|2,0,0]=4 108 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [1,0,1,0,0,0|2,0,0]=4 109 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [1,0,1,0,0,0|2,0,0]=4 110 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [1,0,1,0,0,0|2,0,0]=4 111 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [1,0,1,0,0,0|2,0,0]=4 112 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [1,0,1,0,0,0|1,0,0]=3 113 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [1,0,1,0,0,0|2,0,0]=4 114 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [1,0,1,0,0,0|0,0,0]=2 115 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [1,0,1,0,0,0|1,0,0]=3 116 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [1,0,1,0,0,0|1,0,0]=3 117 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [1,0,1,0,0,0|2,0,0]=4 118 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [1,0,1,0,0,0|2,0,0]=4 119 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [1,0,1,0,0,0|2,0,0]=4 120 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [1,0,1,0,0,0|2,0,0]=4 121 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [1,0,1,0,0,0|2,0,0]=4 122 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [1,0,1,0,0,0|2,0,0]=4 123 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [1,0,1,0,0,0|2,0,0]=4 124 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [1,0,1,0,0,0|2,0,0]=4 125 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [1,0,1,0,0,0|1,0,0]=3 126 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [1,0,1,0,0,0|1,0,0]=3 127 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [1,0,1,0,0,0|1,0,0]=3 128 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [1,0,1,0,0,0|1,1,0]=4 129 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [1,0,1,0,0,0|1,1,0]=4 130 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [1,0,1,0,0,0|2,0,0]=4 131 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [1,0,1,0,0,0|2,0,0]=4 132 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [1,0,1,0,0,0|2,0,0]=4 133 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [1,0,1,0,0,0|2,0,0]=4 134 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [1,0,1,0,0,0|2,0,0]=4 135 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [1,0,1,0,0,0|2,0,0]=4 136 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [1,0,1,0,0,0|2,0,0]=4 137 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [1,0,1,0,0,0|1,0,0]=3 138 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [1,0,1,0,0,0|1,0,0]=3 139 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [1,0,1,0,0,0|1,0,0]=3 140 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [1,0,1,0,0,0|1,1,0]=4 141 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [1,0,1,0,0,0|1,1,0]=4 142 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [1,0,1,0,0,0|2,0,0]=4 143 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [1,0,1,0,0,0|2,0,0]=4 144 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [1,0,1,0,0,0|0,0,2]=4 145 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [1,0,1,0,0,0|0,0,2]=4 146 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [1,0,1,0,0,0|0,0,2]=4 147 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [1,0,1,0,0,0|0,0,2]=4 148 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [1,0,1,0,0,0|1,0,1]=4 149 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [1,0,1,0,0,0|1,0,1]=4 150 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [1,0,1,0,0,0|2,0,0]=4 151 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [1,0,1,0,0,0|2,0,0]=4 152 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [1,0,1,0,0,0|1,0,0]=3 153 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [1,0,1,0,0,0|1,0,0]=3 154 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [1,0,1,0,0,0|2,0,0]=4 155 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [1,0,1,0,0,0|2,0,0]=4 156 B13R1.718 CC(CF)OCCc1ccncc1 7a_100016041109_100000723409 [1,0,1,0,0,0|2,0,0]=4 157 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [1,0,1,0,0,0|1,0,0]=3 158 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [1,0,1,0,0,0|2,0,0]=4 159 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [1,0,1,0,0,0|2,0,0]=4 160 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [1,0,1,0,0,0|1,0,0]=3 161 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [1,0,1,0,0,0|1,0,0]=3 162 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [1,0,1,0,0,0|2,0,0]=4 163 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [1,0,1,0,0,0|0,0,0]=2 164 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [1,0,1,0,0,0|0,0,0]=2 165 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [1,0,1,0,0,0|1,0,0]=3 166 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [1,0,1,0,0,0|1,0,0]=3 167 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [1,0,1,0,0,0|1,0,0]=3 168 B13R1.718 CC(CO)OCCc1cnccn1 34a_100011349526_100012180447 [1,0,1,0,0,0|2,0,0]=4 169 B13R1.718 CC(CO)OCCc1cncnc1 34a_100011709255_100012180447 [1,0,1,0,0,0|2,0,0]=4 170 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [1,0,1,0,0,0|0,1,0]=3 171 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [1,0,1,0,0,0|1,1,0]=4 172 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [1,0,1,0,0,0|1,1,0]=4 173 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [1,0,1,0,0,0|1,1,0]=4 174 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [1,0,1,0,0,0|1,1,0]=4 175 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [1,0,1,0,0,0|2,0,0]=4 176 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [1,0,1,0,0,0|2,0,0]=4 177 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [1,0,1,0,0,0|2,0,0]=4 178 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [1,0,1,0,0,0|2,0,0]=4 179 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [1,0,1,0,0,0|2,0,0]=4 180 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [1,0,1,0,0,0|2,0,0]=4 181 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [1,0,1,0,0,0|2,0,0]=4 182 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [1,0,1,0,0,0|2,0,0]=4 183 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [1,0,1,0,0,0|2,0,0]=4 184 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [1,0,1,0,0,0|2,0,0]=4 185 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [1,0,1,0,0,0|1,0,0]=3 186 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [1,0,1,0,0,0|1,0,0]=3 187 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [1,0,1,0,0,0|1,0,0]=3 188 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [1,0,1,0,0,0|2,0,0]=4 189 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [1,0,1,0,0,0|2,0,0]=4 190 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [1,0,1,0,0,0|2,0,0]=4 191 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [1,0,1,0,0,0|2,0,0]=4 192 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [1,0,1,0,0,0|2,0,0]=4 193 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [1,0,1,0,0,0|0,0,0]=2 194 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [1,0,1,0,0,0|0,0,0]=2 195 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [1,0,1,0,0,0|0,0,0]=2 196 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [1,0,1,0,0,0|1,0,0]=3 197 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [1,0,1,0,0,0|1,0,0]=3 198 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [1,0,1,0,0,0|1,0,0]=3 199 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [1,0,1,0,0,0|1,0,0]=3 200 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [1,0,1,0,0,0|1,0,0]=3 201 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [1,0,1,0,0,0|1,0,0]=3 202 B13R1.718 CCC(C)OCCc1cnccn1 34a_100011349526_100011215416 [1,0,1,0,0,0|2,0,0]=4 203 B13R1.718 CCC(C)OCCc1cncnc1 34a_100011709255_100011215416 [1,0,1,0,0,0|2,0,0]=4 204 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [1,0,1,0,0,0|0,1,0]=3 205 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [1,0,1,0,0,0|0,1,0]=3 206 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [1,0,1,0,0,0|1,1,0]=4 207 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [1,0,1,0,0,0|1,1,0]=4 208 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [1,0,1,0,0,0|1,1,0]=4 209 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [1,0,1,0,0,0|1,1,0]=4 210 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [1,0,1,0,0,0|1,1,0]=4 211 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [1,0,1,0,0,0|1,1,0]=4 212 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [1,0,1,0,0,0|1,1,0]=4 213 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [1,0,1,0,0,0|1,1,0]=4 214 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [1,0,1,0,0,0|2,0,0]=4 215 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [1,0,1,0,0,0|2,0,0]=4 216 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [1,0,1,0,0,0|2,0,0]=4 217 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [1,0,1,0,0,0|2,0,0]=4 218 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [1,0,1,0,0,0|2,0,0]=4 219 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [1,0,1,0,0,0|2,0,0]=4 220 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [1,0,1,0,0,0|2,0,0]=4 221 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [1,0,1,0,0,0|2,0,0]=4 222 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [1,0,1,0,0,0|2,0,0]=4 223 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [1,0,1,0,0,0|2,0,0]=4 224 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [1,0,1,0,0,0|2,0,0]=4 225 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [1,0,1,0,0,0|2,0,0]=4 226 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [1,0,1,0,0,0|2,0,0]=4 227 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [1,0,1,0,0,0|2,0,0]=4 228 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [1,0,1,0,0,0|2,0,0]=4 229 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [1,0,1,0,0,0|1,1,0]=4 230 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [1,0,1,0,0,0|1,1,0]=4 231 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [1,0,1,0,0,0|2,0,0]=4 232 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [1,0,1,0,0,0|2,0,0]=4 233 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [1,0,1,0,0,0|2,0,0]=4 234 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [1,0,1,0,0,0|2,0,0]=4 235 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [1,0,1,0,0,0|2,0,0]=4 236 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [1,0,1,0,0,0|2,0,0]=4 237 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [1,0,1,0,0,0|2,0,0]=4 238 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [1,0,1,0,0,0|2,0,0]=4 239 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [1,0,1,0,0,0|1,0,0]=3 240 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [1,0,1,0,0,0|2,0,0]=4 241 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [1,0,1,0,0,0|2,0,0]=4 242 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [1,0,1,0,0,0|2,0,0]=4 243 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [1,0,1,0,0,0|2,0,0]=4 244 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [1,0,1,0,0,0|0,1,0]=3 245 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [1,0,1,0,0,0|0,1,0]=3 246 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [1,0,1,0,0,0|1,1,0]=4 247 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [1,0,1,0,0,0|1,1,0]=4 248 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [1,0,1,0,0,0|1,1,0]=4 249 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [1,0,1,0,0,0|1,1,0]=4 250 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [1,0,1,0,0,0|1,1,0]=4 251 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [1,0,1,0,0,0|1,1,0]=4 252 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [1,0,1,0,0,0|1,1,0]=4 253 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [1,0,1,0,0,0|1,1,0]=4 254 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [1,0,1,0,0,0|1,0,1]=4 255 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [1,0,1,0,0,0|1,0,1]=4 256 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [1,0,1,0,0,0|1,0,1]=4 257 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [1,0,1,0,0,0|0,0,2]=4 258 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [1,0,1,0,0,0|1,0,0]=3 259 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [1,0,1,0,0,0|2,0,0]=4 260 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [1,0,1,0,0,0|2,0,0]=4 261 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [1,0,1,0,0,0|2,0,0]=4 262 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [1,0,1,0,0,0|2,0,0]=4 263 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [1,0,1,0,0,0|2,0,0]=4 264 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [1,0,1,0,0,0|1,0,0]=3 265 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [1,0,1,0,0,0|1,0,0]=3 266 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [1,0,1,0,0,0|1,0,0]=3 267 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [1,0,1,0,0,0|2,0,0]=4 268 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [1,0,1,0,0,0|2,0,0]=4 269 B13R1.337 CC(C)COCCc1ccncc1 34a_100011216225_100000210624 [1,0,1,0,0,0|2,0,0]=4 270 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [1,0,1,0,0,0|1,1,0]=4 271 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [1,0,1,0,0,0|1,1,0]=4 272 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [1,0,1,0,0,0|1,0,0]=3 273 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [1,0,1,0,0,0|2,0,0]=4 274 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [1,0,1,0,0,0|2,0,0]=4 275 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [1,0,1,0,0,0|2,0,0]=4 276 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [1,0,1,0,0,0|2,0,0]=4 277 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [1,0,1,0,0,0|2,0,0]=4 278 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [1,0,1,0,0,0|2,0,0]=4 279 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [1,0,1,0,0,0|2,0,0]=4 280 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [1,0,1,0,0,0|2,0,0]=4 281 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [1,0,1,0,0,0|2,0,0]=4 282 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [1,0,1,0,0,0|2,0,0]=4 283 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [1,0,1,0,0,0|2,0,0]=4 284 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [1,0,1,0,0,0|2,0,0]=4 285 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [1,0,1,0,0,0|2,0,0]=4 286 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [1,0,1,0,0,0|2,0,0]=4 287 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [1,0,1,0,0,0|1,0,0]=3 288 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [1,0,1,0,0,0|1,0,0]=3 289 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [1,0,1,0,0,0|1,0,0]=3 290 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [1,0,1,0,0,0|1,0,0]=3 291 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [1,0,1,0,0,0|2,0,0]=4 292 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [1,0,1,0,0,0|2,0,0]=4 293 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [1,0,1,0,0,0|2,0,0]=4 294 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [1,0,1,0,0,0|2,0,0]=4 295 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [1,0,1,0,0,0|2,0,0]=4 296 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [1,0,1,0,0,0|0,0,0]=2 297 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [1,0,1,0,0,0|0,0,0]=2 298 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [1,0,1,0,0,0|1,0,0]=3 299 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [1,0,1,0,0,0|1,0,0]=3 300 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [1,0,1,0,0,0|1,0,0]=3 301 B13R1.337 CC(O)COCCc1cnccn1 34a_100011349526_100011218427 [1,0,1,0,0,0|2,0,0]=4 302 B13R1.337 CC(O)COCCc1cncnc1 34a_100011709255_100011218427 [1,0,1,0,0,0|2,0,0]=4 303 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [1,0,1,0,0,0|0,1,0]=3 304 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [1,0,1,0,0,0|0,1,0]=3 305 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [1,0,1,0,0,0|1,1,0]=4 306 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [1,0,1,0,0,0|1,1,0]=4 307 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [1,0,1,0,0,0|1,1,0]=4 308 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [1,0,1,0,0,0|1,1,0]=4 309 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [1,0,1,0,0,0|1,1,0]=4 310 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [1,0,1,0,0,0|1,1,0]=4 311 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [1,0,1,0,0,0|1,1,0]=4 312 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [1,0,1,0,0,0|1,1,0]=4 313 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [1,0,1,0,0,0|1,0,0]=3 314 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [1,0,1,0,0,0|1,0,0]=3 315 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [1,0,1,0,0,0|1,0,0]=3 316 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [1,0,1,0,0,0|1,0,0]=3 317 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [1,0,1,0,0,0|2,0,0]=4 318 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [1,0,1,0,0,0|0,0,0]=2 319 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [1,0,1,0,0,0|0,0,0]=2 320 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [1,0,1,0,0,0|1,0,0]=3 321 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [1,0,1,0,0,0|1,0,0]=3 322 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [1,0,1,0,0,0|1,0,0]=3 323 B13R1.337 C[C@@H](O)COCCc1cnccn1 34a_100011349526_100009817552 [1,0,1,0,0,0|2,0,0]=4 324 B13R1.337 C[C@@H](O)COCCc1cncnc1 34a_100011709255_100009817552 [1,0,1,0,0,0|2,0,0]=4 325 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [1,0,1,0,0,0|0,1,0]=3 326 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [1,0,1,0,0,0|0,1,0]=3 327 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [1,0,1,0,0,0|1,1,0]=4 328 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [1,0,1,0,0,0|1,1,0]=4 329 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [1,0,1,0,0,0|1,1,0]=4 330 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [1,0,1,0,0,0|1,1,0]=4 331 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [1,0,1,0,0,0|1,1,0]=4 332 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [1,0,1,0,0,0|1,1,0]=4 333 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [1,0,1,0,0,0|1,1,0]=4 334 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [1,0,1,0,0,0|1,1,0]=4 335 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [1,0,1,0,0,0|2,0,0]=4 336 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [1,0,1,0,0,0|2,0,0]=4 337 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [1,0,1,0,0,0|2,0,0]=4 338 B15R1.602 CCOC(Cc1cccc(c1)O)OCC 271570a_203496583355_100000766805 [0,1,1,0,0,0|0,0,0]=2 339 B15R1.1064 CCCCC(Cc1ccccc1)NCC 270004a_100015525214_200011218368 [0,1,1,0,0,0|2,0,0]=4 340 B15R1.1064 CCCN(COCC)Cc1ccccc1 269982a_100000184400_100000739092 [0,1,1,0,0,0|2,0,0]=4 341 B15R1.1308 CCOC(Cc1ccccc1)C(=O)OC 34a_100121572206_100000764117 [0,1,1,0,0,0|2,0,0]=4 342 B15R1.1308 CCO[C@H](Cc1ccccc1)C(=O)OC 34a_100009819611_100000210202 [0,1,1,0,0,0|2,0,0]=4 343 B15R1.1308 CCO[C@H](Cc1ccccc1)C(=O)OC 7a_100009819611_100000210202 [0,1,1,0,0,0|2,0,0]=4 344 B15R1.1310 CC(C)CC(Cc1ccccc1)OCF 34a_100011350937_100015361967 [0,1,1,0,0,0|2,0,0]=4 345 B15R1.1310 CC(C)CC(Cc1ccccc1)OCF 7a_100011350937_100015361967 [0,1,1,0,0,0|2,0,0]=4 346 B15R1.1310 CCOC(Cc1ccccc1)CC(C)C 34a_100011350937_100000210202 [0,1,1,0,0,0|1,0,0]=3 347 B15R1.1310 CCOC(Cc1ccccc1)CC(C)C 7a_100011350937_100000210202 [0,1,1,0,0,0|1,0,0]=3 348 B15R1.339 CC(Cc1ccccc1)OC(C)(C)CCl 7a_100000764493_200011218536 [0,1,1,0,0,0|2,0,0]=4 349 B15R1.339 CCC(C)(C)OC(C)Cc1ccccc1 7a_100000210230_200011218536 [0,1,1,0,0,0|1,0,0]=3 350 B15R1.339 CCC(C)(C)OC(C)Cc1ccccc1 7a_100000748627_100000210677 [0,1,1,0,0,0|1,0,0]=3 351 B15R1.339 CCC(C)(C)SC(C)Cc1ccccc1 62a_100000032637_200011218536 [0,1,1,0,0,0|1,1,0]=4 352 B15R1.339 CCC(C)(C)SC(C)Cc1ccccc1 62a_200011218536_100000032637 [0,1,1,0,0,0|1,1,0]=4 353 B15R1.477 C#CC(CC)OC(C)Cc1ccccc1 34a_100000758843_200011218536 [0,1,1,0,0,0|1,0,1]=4 354 B15R1.477 C#CC(CC)OC(C)Cc1ccccc1 7a_100000758843_200011218536 [0,1,1,0,0,0|1,0,1]=4 355 B15R1.477 C=CC(CC)OC(C)Cc1ccccc1 34a_100000766422_200011218536 [0,1,1,0,0,0|1,0,1]=4 356 B15R1.477 C=CC(CC)OC(C)Cc1ccccc1 7a_100000766422_200011218536 [0,1,1,0,0,0|1,0,1]=4 357 B15R1.477 CC(Cc1ccccc1)OC(CCl)CCl 7a_100000737055_200011218536 [0,1,1,0,0,0|2,0,0]=4 358 B15R1.477 CC(Cc1ccccc1)OC(CF)CF 34a_100000032261_200011218536 [0,1,1,0,0,0|2,0,0]=4 359 B15R1.477 CC(Cc1ccccc1)OC(CF)CF 7a_100000032261_200011218536 [0,1,1,0,0,0|2,0,0]=4 360 B15R1.477 CC(Cc1ccccc1)OC(CN)CN 34a_100000031598_200011218536 [0,1,1,0,0,0|2,0,0]=4 361 B15R1.477 CC(Cc1ccccc1)O[C@@H](CF)CCl 34a_100015614560_200011218536 [0,1,1,0,0,0|2,0,0]=4 362 B15R1.477 CC(Cc1ccccc1)O[C@@H](CF)CCl 7a_100015614560_200011218536 [0,1,1,0,0,0|2,0,0]=4 363 B15R1.477 CCC(CC)OC(C)Cc1ccccc1 7a_100000688536_200011218536 [0,1,1,0,0,0|1,0,0]=3 364 B15R1.477 CCC(CC)OC(C)Cc1ccccc1 7a_100000748627_100000210505 [0,1,1,0,0,0|1,0,0]=3 365 B15R1.477 CCC(CC)SC(C)Cc1ccccc1 62a_100000210505_200011218536 [0,1,1,0,0,0|1,1,0]=4 366 B15R1.477 CCC(CC)SC(C)Cc1ccccc1 62a_200011218536_100000210505 [0,1,1,0,0,0|1,1,0]=4 367 B15R1.477 CCN(CC)C[C@@H](O)Cc1ccccc1 2230a_100000724800_100000729385 [0,1,1,0,0,0|2,0,0]=4 368 B15R1.477 CCN(CC)C[C@@H](O)Cc1ccccc1 269956a_100000042499_100000729385 [0,1,1,0,0,0|2,0,0]=4 369 B15R1.477 CCN(CC)C[C@@H](O)Cc1ccccc1 269982a_100000724800_100000729385 [0,1,1,0,0,0|2,0,0]=4 370 B15R1.762 CCC(C)NC(C)Cc1ccccc1Br 270004a_100000209981_100011350739 [0,1,1,0,0,0|2,0,0]=4 371 B15R1.762 CCC(C)NC(C)Cc1ccccc1C 270004a_100000209981_200000764500 [0,1,1,0,0,0|2,0,0]=4 372 B15R1.762 CCC(C)NC(C)Cc1ccccc1Cl 270004a_100000209981_100000758791 [0,1,1,0,0,0|2,0,0]=4 373 B15R1.762 CCC(C)NC(C)Cc1ccccc1F 270004a_100000209981_100000709178 [0,1,1,0,0,0|2,0,0]=4 374 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 34a_100000685586_200011218536 [0,1,1,0,0,0|1,0,1]=4 375 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 7a_100000685586_200011218536 [0,1,1,0,0,0|1,0,1]=4 376 B15R1.809 C/C=C/C(C)OC(C)Cc1ccccc1 34a_200102604097_200011218536 [0,1,1,0,0,0|1,0,1]=4 377 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 34a_100000731007_200011218536 [0,1,1,0,0,0|1,0,1]=4 378 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 7a_100000731007_200011218536 [0,1,1,0,0,0|1,0,1]=4 379 B15R1.809 CC#CC(C)OC(C)Cc1ccccc1 34a_100011216543_200011218536 [0,1,1,0,0,0|1,0,1]=4 380 B15R1.809 CC(CC#N)OC(C)Cc1ccccc1 7a_100000748627_100009813641 [0,1,1,0,0,0|1,0,1]=4 381 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [0,1,1,0,0,0|1,0,0]=3 382 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [0,1,1,0,0,0|1,0,0]=3 383 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [0,1,1,0,0,0|1,0,0]=3 384 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [0,1,1,0,0,0|1,1,0]=4 385 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [0,1,1,0,0,0|1,1,0]=4 386 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [0,1,1,0,0,0|2,0,0]=4 387 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [0,1,1,0,0,0|1,0,0]=3 388 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [0,1,1,0,0,0|1,0,0]=3 389 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [0,1,1,0,0,0|1,0,0]=3 390 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [0,1,1,0,0,0|1,0,0]=3 391 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [0,1,1,0,0,0|1,1,0]=4 392 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [0,1,1,0,0,0|1,1,0]=4 393 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000747261_100000729385 [0,1,1,0,0,0|2,0,0]=4 394 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000747261_100000729385 [0,1,1,0,0,0|2,0,0]=4 395 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 2230a_100000210263_100000729385 [0,1,1,0,0,0|2,0,0]=4 396 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 269982a_100000210263_100000729385 [0,1,1,0,0,0|2,0,0]=4 397 B15R1.809 COCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000765312 [0,1,1,0,0,0|1,0,0]=3 398 B15R1.809 COCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000765312 [0,1,1,0,0,0|1,0,0]=3 399 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_100000765312_200011218536 [0,1,1,0,0,0|1,1,0]=4 400 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000765312 [0,1,1,0,0,0|1,1,0]=4 401 B15R1.809 COC[C@@H](C)OC(C)Cc1ccccc1 34a_100011934205_200011218536 [0,1,1,0,0,0|1,0,0]=3 402 B15R1.950 CC(CO)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100012180447 [0,1,1,0,0,0|2,0,0]=4 403 B15R1.950 CCC(C)OC(C)C(=O)c1ccccc1 7a_100000210228_100000239700 [0,1,1,0,0,0|1,0,1]=4 404 B15R1.950 CCC(C)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100011215416 [0,1,1,0,0,0|1,0,0]=3 405 B15R1.966 C#CC(Cc1ccccc1)OC(C)CC 34a_100000685211_100011215416 [0,1,1,0,0,0|1,0,0]=3 406 B15R1.966 C#CC(Cc1ccccc1)OC(C)CC 7a_100000685211_100000758301 [0,1,1,0,0,0|1,0,0]=3 407 B15R1.966 C#CC(Cc1ccccc1)OC(C)CO 34a_100000685211_100012180447 [0,1,1,0,0,0|2,0,0]=4 408 B15R1.966 C#CC(Cc1ccccc1)OC(C)CO 7a_100000685211_100012180447 [0,1,1,0,0,0|2,0,0]=4 409 B15R1.966 CC(CF)OC(C#N)Cc1ccccc1 7a_100016041109_100000183401 [0,1,1,0,0,0|2,0,0]=4 410 B15R1.966 CC(CO)NC(CO)Cc1ccccc1 2230a_100000739027_100012180447 [0,1,1,0,0,0|2,0,0]=4 411 B15R1.966 CC(CO)OC(CN)Cc1ccccc1 34a_100000752270_100012180447 [0,1,1,0,0,0|2,0,0]=4 412 B15R1.966 CC(CO)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100012180447 [0,1,1,0,0,0|2,0,0]=4 413 B15R1.966 CCC(C)NC(C#N)Cc1ccccc1 2230a_100000746547_100000758301 [0,1,1,0,0,0|2,0,0]=4 414 B15R1.966 CCC(C)NC(CC)Cc1ccccc1 270004a_100000209981_100000212045 [0,1,1,0,0,0|2,0,0]=4 415 B15R1.966 CCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_100000758301 [0,1,1,0,0,0|1,0,0]=3 416 B15R1.966 CCC(C)NC(CO)Cc1cccnc1 2230a_100000717814_100000758301 [0,1,1,0,0,0|2,0,0]=4 417 B15R1.966 CCC(C)NC(CO)Cc1ccncc1 2230a_100000717866_100000758301 [0,1,1,0,0,0|2,0,0]=4 418 B15R1.966 CCC(C)OC(C#N)Cc1ccccc1 7a_100000210228_100000183401 [0,1,1,0,0,0|1,0,0]=3 419 B15R1.966 CCC(C)OC(CC)Cc1ccccc1 7a_100000760156_100000758301 [0,1,1,0,0,0|1,0,0]=3 420 B15R1.966 CCC(C)OC(CN)Cc1ccccc1 34a_100000752270_100011215416 [0,1,1,0,0,0|1,0,0]=3 421 B15R1.966 CCC(C)O[C@H](CCl)Cc1ccccc1 7a_100000729385_100000758301 [0,1,1,0,0,0|1,0,0]=3 422 B15R1.966 CCC(C)SC(C#N)Cc1ccccc1 62a_100000183401_100000758301 [0,1,1,0,0,0|1,1,0]=4 423 B15R1.966 CCC(C)SC(C#N)Cc1ccccc1 62a_100000758301_100000183401 [0,1,1,0,0,0|1,1,0]=4 424 B15R1.966 CCC(Cc1ccccc1)OC(C)CO 7a_100000760156_100012180447 [0,1,1,0,0,0|2,0,0]=4 425 B15R1.973 CCC(C)C(=O)C(C)Cc1ccccc1 1458a_100000754839_100000758301 [0,1,1,0,0,0|2,0,0]=4 426 B15R1.973 CCC(C)C(=O)C(C)Cc1ccccc1 1458a_100011192722_200011218536 [0,1,1,0,0,0|2,0,0]=4 427 B15R1.973 CCC(C)C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000758301 [0,1,1,0,0,0|1,0,0]=3 428 B15R1.973 CCC(C)N(C)C(C)Cc1ccccc1 269982a_100000741768_200011218536 [0,1,1,0,0,0|2,0,0]=4 429 B15R1.973 CCN(C)C(=O)[C@H](O)Cc1ccccc1 240690a_100000225621_100009816399 [0,1,1,0,0,0|2,0,0]=4 430 B15R1.981 CC(CO)OC(C)Cc1ccc(cc1)F 34a_100011351027_100012180447 [0,1,1,0,0,0|2,0,0]=4 431 B15R1.981 CC(CO)OC(C)Cc1ccc(cc1)F 7a_100011351027_100012180447 [0,1,1,0,0,0|2,0,0]=4 432 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)Br 270004a_100000209981_100000691760 [0,1,1,0,0,0|2,0,0]=4 433 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)C 270004a_100000209981_100000751045 [0,1,1,0,0,0|2,0,0]=4 434 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)Cl 270004a_100000209981_100000747806 [0,1,1,0,0,0|2,0,0]=4 435 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)F 270004a_100000209981_100000745281 [0,1,1,0,0,0|2,0,0]=4 436 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_100000758301 [0,1,1,0,0,0|2,0,0]=4 437 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)O 270004a_100000209981_100011218180 [0,1,1,0,0,0|2,0,0]=4 438 B15R1.981 CCC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_100011215416 [0,1,1,0,0,0|2,0,0]=4 439 B15R1.981 CCC(C)OC(C)Cc1ccc(cc1)F 34a_100011351027_100011215416 [0,1,1,0,0,0|1,0,0]=3 440 B15R1.981 CCC(C)OC(C)Cc1ccc(cc1)F 7a_100011351027_100000758301 [0,1,1,0,0,0|1,0,0]=3 441 B15R1.982 CCC(C)NC(C)Cc1cccc(c1)Br 270004a_100000209981_100000689217 [0,1,1,0,0,0|2,0,0]=4 442 B15R1.982 CCC(C)NC(C)Cc1cccc(c1)Cl 270004a_100000209981_100000727212 [0,1,1,0,0,0|2,0,0]=4 443 B15R1.982 CCC(C)NC(C)Cc1cccc(c1)F 270004a_100000209981_100000687711 [0,1,1,0,0,0|2,0,0]=4 444 B15R1.982 CCC(C)OC(C)Cc1cccc(n1)C 34a_200015421231_100011215416 [0,1,1,0,0,0|2,0,0]=4 445 B15R1.3675 CC(=O)C(C)OC(C)Cc1ccccc1 34a_100000212229_200011218536 [0,1,1,0,0,0|1,0,1]=4 446 B15R1.3675 CC(=O)C(C)OC(C)Cc1ccccc1 7a_100000748627_100000179758 [0,1,1,0,0,0|1,0,1]=4 447 B15R1.3675 CC(C)N(C)C[C@@H](O)Cc1ccccc1 269982a_200000211004_100000729385 [0,1,1,0,0,0|2,0,0]=4 448 B15R1.3675 CC(Cc1ccccc1)OC(C)C(C)C 7a_100000748068_200011218536 [0,1,1,0,0,0|1,0,0]=3 449 B15R1.11663 CC(CO)OC(C)(C)Cc1ccccc1 7a_100011215222_100012180447 [0,1,1,0,0,0|2,0,0]=4 450 B15R1.11663 CCC(C)OC(C)(C)Cc1ccccc1 7a_100011215222_100000758301 [0,1,1,0,0,0|1,0,0]=3 451 B15R1.11663 CCC(C)OC(F)(F)Oc1ccccc1 7a_100000210228_200000057402 [0,1,1,0,0,0|2,0,0]=4 452 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)Br 34a_100000212229_100011740612 [0,1,1,0,0,0|0,0,2]=4 453 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)Br 7a_100000766406_100000179758 [0,1,1,0,0,0|0,0,2]=4 454 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)C 34a_100000212229_100011713686 [0,1,1,0,0,0|0,0,2]=4 455 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)C 7a_100000756670_100000179758 [0,1,1,0,0,0|0,0,2]=4 456 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)Cl 34a_100000212229_100011713675 [0,1,1,0,0,0|0,0,2]=4 457 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000179758 [0,1,1,0,0,0|0,0,2]=4 458 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)F 34a_100000212229_100011217392 [0,1,1,0,0,0|0,0,2]=4 459 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)F 7a_100000754732_100000179758 [0,1,1,0,0,0|0,0,2]=4 460 B15R1.112 CC(=O)C(C)OCCc1ccc(cc1)I 7a_100012291149_100000179758 [0,1,1,0,0,0|0,0,2]=4 461 B15R1.112 CC(C)C(C)NCCc1ccc(cc1)Br 2230a_100000211541_100011740612 [0,1,1,0,0,0|2,0,0]=4 462 B15R1.112 CC(C)C(C)NCCc1ccc(cc1)Cl 2230a_100000211541_100011713675 [0,1,1,0,0,0|2,0,0]=4 463 B15R1.112 CC(C)C(C)NCCc1ccc(cc1)F 2230a_100000211541_100011217392 [0,1,1,0,0,0|2,0,0]=4 464 B15R1.112 CC(C)C(C)NCCc1ccc(cc1)O 2230a_100000211541_100009816426 [0,1,1,0,0,0|2,0,0]=4 465 B15R1.112 CC(C)C(C)OCCc1ccc(cc1)Br 7a_100000748068_100011740612 [0,1,1,0,0,0|1,0,0]=3 466 B15R1.112 CC(C)C(C)OCCc1ccc(cc1)Cl 7a_100000748068_100011713675 [0,1,1,0,0,0|1,0,0]=3 467 B15R1.112 CC(C)C(C)OCCc1ccc(cc1)F 7a_100000748068_100011217392 [0,1,1,0,0,0|1,0,0]=3 468 B15R1.112 CC(C)C(C)OCCc1ccc(cc1)O 7a_100000748068_100009816426 [0,1,1,0,0,0|1,0,0]=3 469 B15R1.112 Cc1ccc(cc1)CCNC(C)C(C)C 2230a_100000211541_100011713686 [0,1,1,0,0,0|2,0,0]=4 470 B15R1.112 Cc1ccc(cc1)CCOC(C)C(C)C 7a_100000748068_100011713686 [0,1,1,0,0,0|1,0,0]=3 471 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)Br 34a_100000212229_100011740638 [0,1,1,0,0,0|0,0,2]=4 472 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)Br 7a_100011217444_100000179758 [0,1,1,0,0,0|0,0,2]=4 473 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)C 34a_100000212229_100011713685 [0,1,1,0,0,0|0,0,2]=4 474 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)C 7a_100011217157_100000179758 [0,1,1,0,0,0|0,0,2]=4 475 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)Cl 34a_100000212229_100011713710 [0,1,1,0,0,0|0,0,2]=4 476 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)Cl 7a_100000754733_100000179758 [0,1,1,0,0,0|0,0,2]=4 477 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)F 34a_100000212229_100011217235 [0,1,1,0,0,0|0,0,2]=4 478 B15R1.121 CC(=O)C(C)OCCc1cccc(c1)F 7a_100000763591_100000179758 [0,1,1,0,0,0|0,0,2]=4 479 B15R1.121 CC(C)C(C)NCCc1cccc(c1)Br 2230a_100000211541_100011740638 [0,1,1,0,0,0|2,0,0]=4 480 B15R1.121 CC(C)C(C)NCCc1cccc(c1)Cl 2230a_100000211541_100011713710 [0,1,1,0,0,0|2,0,0]=4 481 B15R1.121 CC(C)C(C)NCCc1cccc(c1)F 2230a_100000211541_100011217235 [0,1,1,0,0,0|2,0,0]=4 482 B15R1.121 CC(C)C(C)OCCc1cccc(c1)Br 7a_100000748068_100011740638 [0,1,1,0,0,0|1,0,0]=3 483 B15R1.121 CC(C)C(C)OCCc1cccc(c1)Cl 7a_100000748068_100011713710 [0,1,1,0,0,0|1,0,0]=3 484 B15R1.121 CC(C)C(C)OCCc1cccc(c1)F 7a_100000748068_100011217235 [0,1,1,0,0,0|1,0,0]=3 485 B15R1.121 Cc1cccc(c1)CCNC(C)C(C)C 2230a_100000211541_100011713685 [0,1,1,0,0,0|2,0,0]=4 486 B15R1.121 Cc1cccc(c1)CCOC(C)C(C)C 7a_100000748068_100011713685 [0,1,1,0,0,0|1,0,0]=3 487 B15R1.257 CC(=O)C(C)OCCc1ccccc1Br 34a_100000212229_100012161201 [0,1,1,0,0,0|0,0,2]=4 488 B15R1.257 CC(=O)C(C)OCCc1ccccc1Br 7a_100000731337_100000179758 [0,1,1,0,0,0|0,0,2]=4 489 B15R1.257 CC(=O)C(C)OCCc1ccccc1C 34a_100000212229_100011713688 [0,1,1,0,0,0|0,0,2]=4 490 B15R1.257 CC(=O)C(C)OCCc1ccccc1C 7a_100011220023_100000179758 [0,1,1,0,0,0|0,0,2]=4 491 B15R1.257 CC(=O)C(C)OCCc1ccccc1Cl 34a_100000212229_100011713703 [0,1,1,0,0,0|0,0,2]=4 492 B15R1.257 CC(=O)C(C)OCCc1ccccc1Cl 7a_100011215284_100000179758 [0,1,1,0,0,0|0,0,2]=4 493 B15R1.257 CC(=O)C(C)OCCc1ccccc1F 34a_100000212229_100000720011 [0,1,1,0,0,0|0,0,2]=4 494 B15R1.257 CC(=O)C(C)OCCc1ccccc1F 7a_100000753711_100000179758 [0,1,1,0,0,0|0,0,2]=4 495 B15R1.257 CC(=O)C(C)OCCc1ccccc1I 7a_100010255290_100000179758 [0,1,1,0,0,0|0,0,2]=4 496 B15R1.257 CC(=O)C(C)OCCc1ccccc1O 34a_100000212229_100000722297 [0,1,1,0,0,0|0,0,2]=4 497 B15R1.257 CC(C)C(C)NCCc1ccccc1Br 2230a_100000211541_100012161201 [0,1,1,0,0,0|2,0,0]=4 498 B15R1.257 CC(C)C(C)NCCc1ccccc1Cl 2230a_100000211541_100011713703 [0,1,1,0,0,0|2,0,0]=4 499 B15R1.257 CC(C)C(C)NCCc1ccccc1Cl 270004a_100000211541_200011713468 [0,1,1,0,0,0|2,0,0]=4 500 B15R1.257 CC(C)C(C)NCCc1ccccc1F 2230a_100000211541_100011713696 [0,1,1,0,0,0|2,0,0]=4 501 B15R1.257 CC(C)C(C)OCCc1ccccc1Br 7a_100000748068_100012161201 [0,1,1,0,0,0|1,0,0]=3 502 B15R1.257 CC(C)C(C)OCCc1ccccc1Cl 7a_100000748068_100011713703 [0,1,1,0,0,0|1,0,0]=3 503 B15R1.257 CC(C)C(C)OCCc1ccccc1F 7a_100000748068_100000720011 [0,1,1,0,0,0|1,0,0]=3 504 B15R1.257 CC(C)C(C)OCCc1ccccc1O 7a_100000748068_100000722297 [0,1,1,0,0,0|1,0,0]=3 505 B15R1.257 Cc1ccccc1CCNC(C)C(C)C 2230a_100000211541_100011713688 [0,1,1,0,0,0|2,0,0]=4 506 B15R1.257 Cc1ccccc1CCOC(C)C(C)C 7a_100000748068_100011713688 [0,1,1,0,0,0|1,0,0]=3 507 B15R1.500 CC(=O)C(C)OCC(C)c1ccccc1 34a_100000212229_100000756946 [0,1,1,0,0,0|0,0,2]=4 508 B15R1.500 CC(=O)C(C)OCC(C)c1ccccc1 7a_100011215166_100000179758 [0,1,1,0,0,0|0,0,2]=4 509 B15R1.500 CC(=O)C(C)OCC(O)c1ccccc1 34a_100000212229_100000185958 [0,1,1,0,0,0|0,0,2]=4 510 B15R1.500 CC(=O)C(C)OC[C@@H](O)c1ccccc1 34a_100000212229_100011933945 [0,1,1,0,0,0|0,0,2]=4 511 B15R1.500 CC(C)C(C)NCC(O)c1ccccc1 2230a_100000211541_100000185958 [0,1,1,0,0,0|2,0,0]=4 512 B15R1.500 CC(C)C(C)NC[C@@H](O)c1ccccc1 2230a_100000211541_100011933945 [0,1,1,0,0,0|2,0,0]=4 513 B15R1.500 CC(C)C(C)OCC(=O)c1ccccc1 7a_100000748068_100000211460 [0,1,1,0,0,0|1,0,1]=4 514 B15R1.500 CC(C)C(C)OCC(O)c1ccccc1 7a_100000748068_100000185958 [0,1,1,0,0,0|1,0,0]=3 515 B15R1.500 CC(C)C(C)OC[C@@H](O)c1ccccc1 7a_100000748068_100011933945 [0,1,1,0,0,0|1,0,0]=3 516 B15R1.500 CC(CNC(C)C(C)C)c1ccccc1 2230a_100000211541_100000756946 [0,1,1,0,0,0|2,0,0]=4 517 B15R1.500 CC(CNC(C)C(C)C)c1ccccc1 270004a_100000211541_100000212034 [0,1,1,0,0,0|2,0,0]=4 518 B15R1.500 CC(COC(C)C(C)C)c1ccccc1 7a_100000748068_100000756946 [0,1,1,0,0,0|1,0,0]=3 519 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1ccccc1 34a_100015455354_100000765856 [0,1,1,0,0,0|1,0,0]=3 520 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1ccccc1 7a_100015455354_100000765856 [0,1,1,0,0,0|1,0,0]=3 521 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1ccccn1 7a_100015455354_100015183660 [0,1,1,0,0,0|2,0,0]=4 522 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1cccnc1 7a_100015455354_200011713674 [0,1,1,0,0,0|2,0,0]=4 523 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1ccncc1 7a_100015455354_100000723409 [0,1,1,0,0,0|2,0,0]=4 524 B15R1.1321 CC(CO)N(C)CCCc1ccccc1 2230a_100000693034_100000211621 [0,1,1,0,0,0|2,0,0]=4 525 B15R1.1321 CC(CO)N(C)CCCc1ccccc1 2230a_100000693637_100012180447 [0,1,1,0,0,0|2,0,0]=4 526 B15R1.1321 CC(CO)N(C)CCCc1ccccc1 269982a_100000693034_100000211621 [0,1,1,0,0,0|2,0,0]=4 527 B15R1.1321 CCC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000742827 [0,1,1,0,0,0|0,0,2]=4 528 B15R1.1321 CCC(C)C(C)NCCc1ccccc1 269862a_100000106460_100000210599 [0,1,1,0,0,0|2,0,0]=4 529 B15R1.1321 CCC(C)C(C)NCCc1ccccc1 270004a_100000106460_100000210599 [0,1,1,0,0,0|2,0,0]=4 530 B15R1.1321 CCC(C)C(C)OCCc1ccccc1 7a_100011215189_100000765856 [0,1,1,0,0,0|1,0,0]=3 531 B15R1.1321 CCC(C)C(C)OCCc1ccccn1 7a_100011215189_100015183660 [0,1,1,0,0,0|2,0,0]=4 532 B15R1.1321 CCC(C)C(C)OCCc1cccnc1 7a_100011215189_200011713674 [0,1,1,0,0,0|2,0,0]=4 533 B15R1.1321 CCC(C)C(C)OCCc1ccncc1 7a_100011215189_100000723409 [0,1,1,0,0,0|2,0,0]=4 534 B15R1.1321 CNC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000731044 [0,1,1,0,0,0|0,0,2]=4 535 B15R1.1321 CNC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000209862 [0,1,1,0,0,0|0,0,2]=4 536 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000211248 [0,1,1,0,0,0|0,0,2]=4 537 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 34a_100011215400_100000765856 [0,1,1,0,0,0|0,0,2]=4 538 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000211248 [0,1,1,0,0,0|0,0,2]=4 539 B15R1.1321 COC(C)N(C)CCCc1ccccc1 269982a_100000693637_100009879195 [0,1,1,0,0,0|2,0,0]=4 540 B15R1.1321 C[C@H](CO)N(C)CCCc1ccccc1 269982a_100000693637_100016084084 [0,1,1,0,0,0|2,0,0]=4 541 B15R1.3010 C#CC(OCCc1ccccc1)C(C)C 34a_100011217124_100000765856 [0,1,1,0,0,0|1,0,1]=4 542 B15R1.3010 C#CC(OCCc1ccccc1)C(C)C 7a_100011217124_100000765856 [0,1,1,0,0,0|1,0,1]=4 543 B15R1.3010 C=CC(OCCc1ccccc1)C(C)C 34a_100000732651_100000765856 [0,1,1,0,0,0|1,0,1]=4 544 B15R1.3010 C=CC(OCCc1ccccc1)C(C)C 7a_100000732651_100000765856 [0,1,1,0,0,0|1,0,1]=4 545 B15R1.3010 CC(C)C(C#N)OCCc1ccccc1 34a_100000748901_100000765856 [0,1,1,0,0,0|1,0,1]=4 546 B15R1.3010 CC(C)C(C#N)OCCc1ccccc1 7a_100000748901_100000765856 [0,1,1,0,0,0|1,0,1]=4 547 B15R1.3010 CC(C)C(CN)OCCc1ccccc1 34a_100000759067_100000765856 [0,1,1,0,0,0|1,0,0]=3 548 B15R1.3010 CC(C)[C@H](CO)NCCc1ccccc1 2230a_100011830312_100000765856 [0,1,1,0,0,0|2,0,0]=4 549 B15R1.3010 CC(C)[C@H](CO)NCCc1ccccc1 34a_100011830312_100000765856 [0,1,1,0,0,0|2,0,0]=4 550 B15R1.3010 CCC(NCCc1ccccc1)C(C)C 270004a_100000106460_100000210600 [0,1,1,0,0,0|2,0,0]=4 551 B15R1.3010 CCC(OCCc1ccccc1)C(C)C 34a_100011218073_100000765856 [0,1,1,0,0,0|1,0,0]=3 552 B15R1.3010 CCC(OCCc1ccccc1)C(C)C 7a_100011218073_100000765856 [0,1,1,0,0,0|1,0,0]=3 553 B15R1.3010 CCC(OCCc1ccccn1)C(C)C 7a_100011218073_100015183660 [0,1,1,0,0,0|2,0,0]=4 554 B15R1.3010 CCC(OCCc1cccnc1)C(C)C 7a_100011218073_200011713674 [0,1,1,0,0,0|2,0,0]=4 555 B15R1.3010 CCC(OCCc1ccncc1)C(C)C 7a_100011218073_100000723409 [0,1,1,0,0,0|2,0,0]=4 556 B15R1.3010 CC[C@H](NCCc1ccccc1)[C@@H](C)O 2230a_100161114882_100000765856 [0,1,1,0,0,0|1,0,0]=3 557 B15R1.3010 CC[C@H](NCCc1ccccc1)[C@@H](C)O 34a_100161114882_100000765856 [0,1,1,0,0,0|1,0,0]=3 558 B15R1.3010 CC[C@H](NCCc1ccccn1)[C@@H](C)O 2230a_100161114882_100015183660 [0,1,1,0,0,0|2,0,0]=4 559 B15R1.3010 CC[C@H](NCCc1cccnc1)[C@@H](C)O 2230a_100161114882_200011713674 [0,1,1,0,0,0|2,0,0]=4 560 B15R1.3010 CC[C@H](NCCc1ccncc1)[C@@H](C)O 2230a_100161114882_100000723409 [0,1,1,0,0,0|2,0,0]=4 561 B15R1.3010 CC[C@H](NCSc1ccccc1)[C@@H](C)O 2230a_100161114882_100011218342 [0,1,1,0,0,0|2,0,0]=4 562 B15R1.3010 C[C@@H](O)[C@@H](CO)NCCc1ccccc1 2230a_100015196842_100000765856 [0,1,1,0,0,0|1,0,0]=3 563 B15R1.3010 C[C@@H](O)[C@@H](CO)NCCc1ccccc1 34a_100015196842_100000765856 [0,1,1,0,0,0|1,0,0]=3 564 B15R1.3010 C[C@@H](O)[C@@H](CO)NCCc1ccccn1 2230a_100015196842_100015183660 [0,1,1,0,0,0|2,0,0]=4 565 B15R1.3010 C[C@@H](O)[C@@H](CO)NCCc1cccnc1 2230a_100015196842_200011713674 [0,1,1,0,0,0|2,0,0]=4 566 B15R1.3010 C[C@@H](O)[C@@H](CO)NCCc1ccncc1 2230a_100015196842_100000723409 [0,1,1,0,0,0|2,0,0]=4 567 B15R1.3010 C[C@@H](O)[C@@H](CO)NCSc1ccccc1 2230a_100015196842_100011218342 [0,1,1,0,0,0|2,0,0]=4 568 B15R1.3678 CC(C)C(C)C(=O)CCc1ccccc1 1458a_100000755409_100000765856 [0,1,1,0,0,0|2,0,0]=4 569 B15R1.3678 CC(C)C(C)N(C)CCc1ccccc1 2230a_100000228512_100000765856 [0,1,1,0,0,0|2,0,0]=4 570 B15R1.3678 CC(C)C(C)N(C)CCc1ccccc1 269982a_100000228512_100000765856 [0,1,1,0,0,0|2,0,0]=4 571 B15R1.9012 CC(=O)C(C)(C)OCCc1ccccc1 34a_100000747739_100000765856 [0,1,1,0,0,0|0,0,2]=4 572 B15R1.9012 CC(=O)C(C)(C)OCCc1ccccc1 7a_100000210268_100000075568 [0,1,1,0,0,0|0,0,2]=4 573 B15R1.9012 CC(=O)C(C)(C)OCCc1ccccc1 7a_100000747739_100000765856 [0,1,1,0,0,0|0,0,2]=4 574 B15R1.9012 CC(C)C(C)(C)NCCc1ccccc1 2230a_200160471154_100000765856 [0,1,1,0,0,0|2,0,0]=4 575 B15R1.9012 CC(C)C(C)(C)OCCc1ccccc1 7a_100011215261_100000765856 [0,1,1,0,0,0|1,0,0]=3 576 B15R1.9012 CC(C)C(C)(C)OCCc1ccccn1 7a_100011215261_100015183660 [0,1,1,0,0,0|2,0,0]=4 577 B15R1.9012 CC(C)C(C)(C)OCCc1cccnc1 7a_100011215261_200011713674 [0,1,1,0,0,0|2,0,0]=4 578 B15R1.9012 CC(C)C(C)(C)OCCc1ccncc1 7a_100011215261_100000723409 [0,1,1,0,0,0|2,0,0]=4 579 B15R1.9095 CC(NCCc1ccccc1)C(C)(C)O 269862a_100000106460_100000747739 [0,1,1,0,0,0|1,0,0]=3 580 B15R1.9095 CC(NCCc1ccccn1)C(C)(C)O 269862a_100000211156_100000747739 [0,1,1,0,0,0|2,0,0]=4 581 B15R1.9095 CC(NCCc1cccnc1)C(C)(C)O 269862a_100000736294_100000747739 [0,1,1,0,0,0|2,0,0]=4 582 B15R1.9095 CC(NCCc1ccncc1)C(C)(C)O 269862a_100000742849_100000747739 [0,1,1,0,0,0|2,0,0]=4 583 B15R1.9095 CC(OCCc1ccccc1)C(F)(F)F 34a_100000765112_100000765856 [0,1,1,0,0,0|2,0,0]=4 584 B15R1.9095 C[C@@H](NCCc1ccccc1)C(C)(C)C 2230a_100025703359_100000765856 [0,1,1,0,0,0|2,0,0]=4 585 B15R1.9095 C[C@H](NCCc1ccccc1)C(C)(C)O 2230a_100025708725_100000765856 [0,1,1,0,0,0|1,0,0]=3 586 B15R1.9095 C[C@H](NCCc1ccccn1)C(C)(C)O 2230a_100025708725_100015183660 [0,1,1,0,0,0|2,0,0]=4 587 B15R1.9095 C[C@H](NCCc1cccnc1)C(C)(C)O 2230a_100025708725_200011713674 [0,1,1,0,0,0|2,0,0]=4 588 B15R1.9095 C[C@H](NCCc1ccncc1)C(C)(C)O 2230a_100025708725_100000723409 [0,1,1,0,0,0|2,0,0]=4 589 B15R1.9095 C[C@H](NCSc1ccccc1)C(C)(C)O 2230a_100025708725_100011218342 [0,1,1,0,0,0|2,0,0]=4 590 B13R0.174 C=CC=CC(=O)CC(OCC)OCC 1458a_100016291481_100000210512 [0,0,2,0,0,0|1,0,0]=3 591 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [0,0,1,1,0,0|2,0,0]=4 592 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [0,0,1,1,0,0|2,0,0]=4 593 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [0,0,1,1,0,0|2,0,0]=4 594 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [0,0,1,1,0,0|2,0,0]=4 595 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [0,0,1,1,0,0|2,0,0]=4 596 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [0,0,1,1,0,0|2,0,0]=4 597 B15R2.72 CCN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_100000210202 [0,0,1,1,0,0|2,0,0]=4 598 B15R2.72 CCN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_100000210202 [0,0,1,1,0,0|2,0,0]=4 599 B15R2.72 CCOC1COCC1c2ccccc2 34a_100010739164_100000210202 [0,0,1,1,0,0|2,0,0]=4 600 B15R2.72 CCOC1COCC1c2ccccc2 7a_100010739164_100000210202 [0,0,1,1,0,0|2,0,0]=4 601 B15R2.118 CCN1CCCC1Cc2ccccc2 2230a_100159249835_100000210202 [0,0,1,1,0,0|2,0,0]=4 602 B15R2.118 CCN1CCCC1Cc2ccccc2 269982a_100159249835_100000204670 [0,0,1,1,0,0|2,0,0]=4 603 B15R2.118 CCN1CCCC1Cc2ccccc2 34a_100159249835_100000210202 [0,0,1,1,0,0|2,0,0]=4 604 B15R2.889 CCO[C@@H]1Cc2ccccc2[C@@H]1OC 34a_200016238473_100000210202 [0,0,1,1,0,0|2,0,0]=4 605 B15R2.889 CCO[C@@H]1Cc2ccccc2[C@@H]1OC 7a_200016238473_100000210202 [0,0,1,1,0,0|2,0,0]=4 606 B15R2.1122 CC1CCN1C(C)Cc2ccccc2 269982a_100000755817_200011218536 [0,0,1,1,0,0|2,0,0]=4 607 B15R2.1122 CC1CCN1C(C)Cc2ccccc2 34a_100000755817_200011218536 [0,0,1,1,0,0|2,0,0]=4 608 B15R2.1257 CC(Cc1ccccc1)OC2(CC2)C 7a_100011725673_200011218536 [0,0,1,1,0,0|1,0,0]=3 609 B15R2.1561 CCC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000758301 [0,0,1,1,0,0|2,0,0]=4 610 B15R2.1561 CCC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000758301 [0,0,1,1,0,0|2,0,0]=4 611 B15R2.1561 CCC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100011215416 [0,0,1,1,0,0|2,0,0]=4 612 B15R2.1569 CC(CF)OC1Cc2ccccc2C1 34a_100016041109_100000753484 [0,0,1,1,0,0|2,0,0]=4 613 B15R2.1569 CC(CF)OC1Cc2ccccc2C1 7a_100016041109_100000753484 [0,0,1,1,0,0|2,0,0]=4 614 B15R2.1569 CC(CN)OC1Cc2ccccc2C1 34a_100000210904_100000753484 [0,0,1,1,0,0|2,0,0]=4 615 B15R2.1569 CC(CO)OC1Cc2ccccc2C1 34a_100011215286_100012180447 [0,0,1,1,0,0|2,0,0]=4 616 B15R2.1569 CCC(C)NC1Cc2ccccc2C1 2230a_100000753258_100000758301 [0,0,1,1,0,0|2,0,0]=4 617 B15R2.1569 CCC(C)NC1Cc2ccccc2C1 34a_100000753258_100011215416 [0,0,1,1,0,0|2,0,0]=4 618 B15R2.1569 CCC(C)OC1Cc2ccccc2C1 34a_100011215286_100011215416 [0,0,1,1,0,0|1,0,0]=3 619 B15R2.1569 CCC(C)OC1Cc2ccccc2C1 7a_100000210228_100000753484 [0,0,1,1,0,0|1,0,0]=3 620 B15R2.1569 CCC(C)SC1Cc2ccccc2C1 62a_100000758301_100000753484 [0,0,1,1,0,0|1,1,0]=4 621 B15R2.1621 CCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000758301 [0,0,1,1,0,0|2,0,0]=4 622 B15R2.1621 CCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215416 [0,0,1,1,0,0|2,0,0]=4 623 B15R2.16446 CC(Cc1ccccc1)NC2CCC2 34a_100000749019_200011218536 [0,0,1,1,0,0|2,0,0]=4 624 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748187_200011218536 [0,0,1,1,0,0|1,0,0]=3 625 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748627_100000749161 [0,0,1,1,0,0|1,0,0]=3 626 B15R2.16446 CC(Cc1ccccc1)OC2COC2 34a_100000748627_100009818527 [0,0,1,1,0,0|2,0,0]=4 627 B15R2.16446 CC(Cc1ccccc1)OC2COC2 7a_100000748627_100009818527 [0,0,1,1,0,0|2,0,0]=4 628 B15R2.16446 CC(Cc1ccccc1)OC2CSC2 7a_100000072292_200011218536 [0,0,1,1,0,0|2,0,0]=4 629 B15R2.16446 CC(Cc1ccccc1)SC2CCC2 62a_200011218536_100000749161 [0,0,1,1,0,0|1,1,0]=4 630 B15R2.16446 O[C@@H](Cc1ccccc1)CN2CCC2 269982a_100000754969_100000729385 [0,0,1,1,0,0|2,0,0]=4 631 B15R2.342 O=C1CCC1OCCc2ccccc2 34a_100000210268_100009892977 [0,0,1,1,0,0|0,0,2]=4 632 B15R2.342 O=C1CCC1OCCc2ccccc2 7a_100000210268_100009892977 [0,0,1,1,0,0|0,0,2]=4 633 B15R2.597 C[C@H]1[C@H](CN1CCc2ccccc2)O 2230a_206633788156_100000765856 [0,0,1,1,0,0|1,0,0]=3 634 B15R2.597 C[C@H]1[C@H](CN1CCc2ccccc2)O 269982a_206633788156_100000765856 [0,0,1,1,0,0|1,0,0]=3 635 B15R2.597 C[C@H]1[C@H](CN1CCc2ccccn2)O 2230a_206633788156_100015183660 [0,0,1,1,0,0|2,0,0]=4 636 B15R2.597 C[C@H]1[C@H](CN1CCc2ccccn2)O 269982a_206633788156_100015183660 [0,0,1,1,0,0|2,0,0]=4 637 B15R2.597 C[C@H]1[C@H](CN1CCc2cccnc2)O 2230a_206633788156_200011713674 [0,0,1,1,0,0|2,0,0]=4 638 B15R2.597 C[C@H]1[C@H](CN1CCc2cccnc2)O 269982a_206633788156_200011713674 [0,0,1,1,0,0|2,0,0]=4 639 B15R2.597 C[C@H]1[C@H](CN1CCc2ccncc2)O 2230a_206633788156_100000723409 [0,0,1,1,0,0|2,0,0]=4 640 B15R2.597 C[C@H]1[C@H](CN1CCc2ccncc2)O 269982a_206633788156_100000723409 [0,0,1,1,0,0|2,0,0]=4 641 B15R2.597 C[C@H]1[C@H](CN1CSc2ccccc2)O 2230a_206633788156_100011218342 [0,0,1,1,0,0|2,0,0]=4 642 B15R2.597 C[C@H]1[C@H](CN1CSc2ccccc2)O 269982a_206633788156_100011218342 [0,0,1,1,0,0|2,0,0]=4 643 B15R2.16438 CC(NCCc1ccccc1)C2CC2 2230a_100000700016_100000765856 [0,0,1,1,0,0|2,0,0]=4 644 B15R2.16438 CC(NCCc1ccccc1)C2CC2 269862a_100000106460_100000210639 [0,0,1,1,0,0|2,0,0]=4 645 B15R2.16438 CC(NCCc1ccccc1)C2CC2 34a_100000700016_100000765856 [0,0,1,1,0,0|2,0,0]=4 646 B15R2.16438 CC(NCCc1ccccc1)C2CO2 270004a_100000106460_100000031964 [0,0,1,1,0,0|1,0,0]=3 647 B15R2.16438 CC(NCCc1ccccn1)C2CO2 270004a_100000211156_100000031964 [0,0,1,1,0,0|2,0,0]=4 648 B15R2.16438 CC(NCCc1cccnc1)C2CO2 270004a_100000736294_100000031964 [0,0,1,1,0,0|2,0,0]=4 649 B15R2.16438 CC(NCCc1ccncc1)C2CO2 270004a_100000742849_100000031964 [0,0,1,1,0,0|2,0,0]=4 650 B15R2.16438 CC(OCCc1ccccc1)C2CC2 34a_100000744524_100000765856 [0,0,1,1,0,0|1,0,0]=3 651 B15R2.16438 CC(OCCc1ccccc1)C2CC2 7a_100000744524_100000765856 [0,0,1,1,0,0|1,0,0]=3 652 B15R2.16438 CC(OCCc1ccccn1)C2CC2 7a_100000744524_100015183660 [0,0,1,1,0,0|2,0,0]=4 653 B15R2.16438 CC(OCCc1cccnc1)C2CC2 7a_100000744524_200011713674 [0,0,1,1,0,0|2,0,0]=4 654 B15R2.16438 CC(OCCc1ccncc1)C2CC2 7a_100000744524_100000723409 [0,0,1,1,0,0|2,0,0]=4 655 B15R2.107888 CC(C)C(C)OC1Cc2c1cccc2 7a_100000748068_100009813401 [0,0,1,1,0,0|1,0,0]=3 656 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,0,1,0,1,0|2,0,0]=4 657 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,0,1,0,1,0|2,0,0]=4 658 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,0,1,0,1,0|2,0,0]=4 659 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,0,1,0,1,0|1,0,0]=3 660 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,0,1,0,1,0|1,0,0]=3 661 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,0,1,0,1,0|2,0,0]=4 662 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,0,1,0,1,0|2,0,0]=4 663 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,0,1,0,1,0|2,0,0]=4 664 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,0,1,0,1,0|2,0,0]=4 665 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,0,1,0,1,0|2,0,0]=4 666 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,0,1,0,1,0|2,0,0]=4 667 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,0,1,0,1,0|2,0,0]=4 668 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,0,1,0,1,0|2,0,0]=4 669 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,0,1,0,1,0|2,0,0]=4 670 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,0,1,0,1,0|2,0,0]=4 671 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,0,1,0,1,0|2,0,0]=4 672 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,0,1,0,1,0|2,0,0]=4 673 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,0,1,0,1,0|2,0,0]=4 674 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,0,1,0,1,0|1,0,0]=3 675 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,0,1,0,1,0|1,0,0]=3 676 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,0,1,0,1,0|1,0,0]=3 677 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,0,1,0,1,0|1,1,0]=4 678 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,0,1,0,1,0|1,1,0]=4 679 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,0,1,0,1,0|2,0,0]=4 680 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,0,1,0,1,0|2,0,0]=4 681 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,0,1,0,1,0|2,0,0]=4 682 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,0,1,0,1,0|2,0,0]=4 683 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,0,1,0,1,0|1,0,1]=4 684 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,0,1,0,1,0|0,0,2]=4 685 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,0,1,0,1,0|2,0,0]=4 686 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,0,1,0,1,0|2,0,0]=4 687 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,0,1,0,1,0|2,0,0]=4 688 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,0,1,0,1,0|2,0,0]=4 689 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,0,1,0,1,0|2,0,0]=4 690 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,0,1,0,1,0|2,0,0]=4 691 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,0,1,0,1,0|2,0,0]=4 692 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,0,1,0,1,0|2,0,0]=4 693 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,0,1,0,1,0|2,0,0]=4 694 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,0,1,0,1,0|2,0,0]=4 695 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,0,1,0,1,0|2,0,0]=4 696 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,0,1,0,1,0|2,0,0]=4 697 B13R1.545 CCC(C)OC(C)Cc1ccco1 34a_100011803939_100011215416 [0,0,1,0,1,0|2,0,0]=4 698 B13R1.545 CCC(C)OC(C)Cc1ccco1 7a_100011803939_100000758301 [0,0,1,0,1,0|2,0,0]=4 699 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,0,1,0,1,0|0,0,2]=4 700 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,0,1,0,1,0|0,0,2]=4 701 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,0,1,0,1,0|0,0,2]=4 702 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,0,1,0,1,0|0,0,2]=4 703 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,0,1,0,1,0|2,0,0]=4 704 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,0,1,0,1,0|2,0,0]=4 705 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,0,1,0,1,0|2,0,0]=4 706 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,0,1,0,1,0|1,0,0]=3 707 B13R1.351 CC(C)C(C)OCc1ccccn1 7a_100000748068_100000721315 [0,0,1,0,1,0|2,0,0]=4 708 B13R1.351 CC(C)C(C)OCc1cccnc1 7a_100000748068_100000741622 [0,0,1,0,1,0|2,0,0]=4 709 B13R1.351 CC(C)C(C)OCc1ccncc1 7a_100000748068_100015193705 [0,0,1,0,1,0|2,0,0]=4 710 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000200190_200000210301 [0,0,1,0,1,0|2,0,0]=4 711 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000207497_100000210206 [0,0,1,0,1,0|2,0,0]=4 712 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000200190_200000210301 [0,0,1,0,1,0|2,0,0]=4 713 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000207497_100000210206 [0,0,1,0,1,0|2,0,0]=4 714 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_200000211004_100000765856 [0,0,1,0,1,0|2,0,0]=4 715 B13R1.351 CC(C)N(C)CCc1ccccc1 34a_100000200190_200000210301 [0,0,1,0,1,0|2,0,0]=4 716 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 2230a_100000200190_200025704644 [0,0,1,0,1,0|2,0,0]=4 717 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 269982a_100000200190_200025704644 [0,0,1,0,1,0|2,0,0]=4 718 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 34a_100000200190_200025704644 [0,0,1,0,1,0|2,0,0]=4 719 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,0,1,0,1,0|0,0,2]=4 720 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,0,1,0,1,0|2,0,0]=4 721 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,0,1,0,1,0|1,0,1]=4 722 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,0,1,0,1,0|1,0,1]=4 723 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,0,1,0,1,0|0,0,2]=4 724 B13R1.1110 CC(C)C(C)OCCc1cccs1 7a_100000748068_100000748579 [0,0,1,0,1,0|2,0,0]=4 725 B13R1.1110 CC(C)C(C)OCCn1cccc1 7a_100000748068_200000035178 [0,0,1,0,1,0|2,0,0]=4 726 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [1,0,0,0,1,0|2,0,0]=4 727 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [1,0,0,0,1,0|2,0,0]=4 728 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [1,0,0,0,1,0|2,0,0]=4 729 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [1,0,0,0,1,0|2,0,0]=4 730 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [1,0,0,0,1,0|2,0,0]=4 731 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [1,0,0,0,1,0|2,0,0]=4 732 B15R1.3983 CCCC(C#Cc1ccccc1)OCC 34a_200000065213_100000210202 [0,0,1,0,0,1|1,0,1]=4 733 B15R1.3983 CCCC(C#Cc1ccccc1)OCC 7a_200000065213_100000210202 [0,0,1,0,0,1|1,0,1]=4 734 B15R1.3983 CCCC(CCC)NCc1ccccc1 207a_100011207992_100015611070 [0,0,1,0,0,1|2,0,0]=4 735 B15R1.3983 CCCC(CCC)NCc1ccccc1 2230a_100011207992_100015291786 [0,0,1,0,0,1|2,0,0]=4 736 B15R1.3983 CCCC(CCC)NCc1ccccc1 270004a_100011207992_100015611070 [0,0,1,0,0,1|2,0,0]=4 737 B15R1.3983 CCCC(CCC)NCc1ccccc1 270004a_100015324214_100000210088 [0,0,1,0,0,1|2,0,0]=4 738 B15R1.3983 CCCC(CCC)NCc1ccccc1 34a_100011207992_100015291786 [0,0,1,0,0,1|2,0,0]=4 739 B15R1.3983 CCCC(CCC)NCc1ccccc1 34a_100015324214_200011218217 [0,0,1,0,0,1|2,0,0]=4 740 B15R1.3983 CCCC(CCC)OCc1ccccc1 34a_100000210790_200011218217 [0,0,1,0,0,1|2,0,0]=4 741 B15R1.3983 CCCC(CCC)OCc1ccccc1 34a_200011218534_100015291786 [0,0,1,0,0,1|2,0,0]=4 742 B15R1.3983 CCCC(CCC)OCc1ccccc1 7a_100000210790_200011218217 [0,0,1,0,0,1|2,0,0]=4 743 B15R1.3983 CCCC(CCC)OCc1ccccc1 7a_200011218534_100000211182 [0,0,1,0,0,1|2,0,0]=4 744 B15R1.3983 CCCC(CCC)SCc1ccccc1 62a_100000211182_200011218217 [0,0,1,0,0,1|2,0,0]=4 745 B15R1.3983 CCCC(CCC)SCc1ccccc1 62a_200011218217_100015291786 [0,0,1,0,0,1|2,0,0]=4 746 B15R1.3983 CCCC(CCc1ccccc1)NCC 270004a_100015525214_100000759375 [0,0,1,0,0,1|2,0,0]=4 747 B15R1.3983 CCOC(C=Cc1ccccc1)OCC 271570a_100000047244_100000210277 [0,0,1,0,0,1|0,0,1]=3 748 B15R1.3983 CCOC(C=Cc1ccccn1)OCC 271570a_100000047244_100011216584 [0,0,1,0,0,1|1,0,1]=4 749 B15R1.3983 CCOC(C=Cc1cccnc1)OCC 271570a_100000047244_100000752921 [0,0,1,0,0,1|1,0,1]=4 750 B15R1.3983 CCOC(C=Cc1ccncc1)OCC 271570a_100000047244_100000035832 [0,0,1,0,0,1|1,0,1]=4 751 B15R1.3983 CCOC(CNc1ccccc1)OCC 34a_100000106764_100000210512 [0,0,1,0,0,1|0,0,0]=2 752 B15R1.3983 CCOC(CNc1cccnn1)OCC 27a_100000211098_100016991348 [0,0,1,0,0,1|2,0,0]=4 753 B15R1.3983 CCOC(CNc1ccncn1)OCC 27a_100000211098_100000703185 [0,0,1,0,0,1|2,0,0]=4 754 B15R1.3983 CCOC(CNc1cnccn1)OCC 27a_100000211098_100000211759 [0,0,1,0,0,1|2,0,0]=4 755 B15R1.3983 CCOC(CNc1ncccn1)OCC 27a_100000211098_100000211032 [0,0,1,0,0,1|2,0,0]=4 756 B15R1.3983 CCOC(COc1ccccc1)OCC 34a_100000210340_100000210512 [0,0,1,0,0,1|0,0,0]=2 757 B15R1.3983 CCOC(COc1ccccc1)OCC 7a_100000210340_100000210512 [0,0,1,0,0,1|0,0,0]=2 758 B15R1.3983 CCOC(COc1cccnc1)OCC 34a_100000210849_100000210512 [0,0,1,0,0,1|1,0,0]=3 759 B15R1.3983 CCOC(COc1cccnc1)OCC 7a_100000210849_100000210512 [0,0,1,0,0,1|1,0,0]=3 760 B15R1.3983 CCOC(COc1ccncc1)OCC 34a_100000212176_100000210512 [0,0,1,0,0,1|1,0,0]=3 761 B15R1.3983 CCOC(COc1ccnnc1)OCC 34a_100015204005_100000210512 [0,0,1,0,0,1|2,0,0]=4 762 B15R1.3983 CCOC(COc1cncnc1)OCC 7a_100000754086_100000210512 [0,0,1,0,0,1|2,0,0]=4 763 B15R1.3983 CCOC(CSc1ccccc1)OCC 62a_100000210512_100000041952 [0,0,1,0,0,1|0,0,0]=2 764 B15R1.3983 CCOC(CSc1ccccc1)OCC 62a_100000719477_100000210512 [0,0,1,0,0,1|0,0,0]=2 765 B15R1.3983 CCOC(CSc1ccccn1)OCC 62a_100000210512_100011216584 [0,0,1,0,0,1|1,0,0]=3 766 B15R1.3983 CCOC(CSc1ccccn1)OCC 62a_100011216584_100000210512 [0,0,1,0,0,1|1,0,0]=3 767 B15R1.3983 CCOC(CSc1cccnc1)OCC 62a_100000210063_100000210512 [0,0,1,0,0,1|1,0,0]=3 768 B15R1.3983 CCOC(CSc1cccnc1)OCC 62a_100000210512_100000210063 [0,0,1,0,0,1|1,0,0]=3 769 B15R1.3983 CCOC(CSc1cccnn1)OCC 62a_100000210512_100016991348 [0,0,1,0,0,1|2,0,0]=4 770 B15R1.3983 CCOC(CSc1cccnn1)OCC 62a_100016991348_100000210512 [0,0,1,0,0,1|2,0,0]=4 771 B15R1.3983 CCOC(CSc1ccncc1)OCC 62a_100000210512_100000728582 [0,0,1,0,0,1|1,0,0]=3 772 B15R1.3983 CCOC(CSc1ccncc1)OCC 62a_100000728582_100000210512 [0,0,1,0,0,1|1,0,0]=3 773 B15R1.3983 CCOC(CSc1ccncn1)OCC 62a_100000210512_100000703185 [0,0,1,0,0,1|2,0,0]=4 774 B15R1.3983 CCOC(CSc1ccncn1)OCC 62a_100000703185_100000210512 [0,0,1,0,0,1|2,0,0]=4 775 B15R1.3983 CCOC(CSc1ccnnc1)OCC 62a_100000210512_100000732662 [0,0,1,0,0,1|2,0,0]=4 776 B15R1.3983 CCOC(CSc1ccnnc1)OCC 62a_100000732662_100000210512 [0,0,1,0,0,1|2,0,0]=4 777 B15R1.3983 CCOC(CSc1cnccn1)OCC 62a_100000210512_100000211759 [0,0,1,0,0,1|2,0,0]=4 778 B15R1.3983 CCOC(CSc1cnccn1)OCC 62a_100000211759_100000210512 [0,0,1,0,0,1|2,0,0]=4 779 B15R1.3983 CCOC(CSc1cncnc1)OCC 62a_100000210512_100011206942 [0,0,1,0,0,1|2,0,0]=4 780 B15R1.3983 CCOC(CSc1cncnc1)OCC 62a_100011206942_100000210512 [0,0,1,0,0,1|2,0,0]=4 781 B15R1.3983 CCOC(CSc1ncccn1)OCC 62a_100000210512_100000211032 [0,0,1,0,0,1|2,0,0]=4 782 B15R1.3983 CCOC(CSc1ncccn1)OCC 62a_100000211032_100000210512 [0,0,1,0,0,1|2,0,0]=4 783 B15R1.741 CC(CO)OC(C)COc1ccccc1 34a_100000210911_100012180447 [0,0,1,0,0,1|2,0,0]=4 784 B15R1.741 CC(CO)OC(C)COc1ccccc1 7a_100000210911_100012180447 [0,0,1,0,0,1|2,0,0]=4 785 B15R1.741 CC(CO)O[C@@H](C)CCc1ccccc1 34a_100009815974_100012180447 [0,0,1,0,0,1|2,0,0]=4 786 B15R1.741 CC(CO)O[C@@H](C)CCc1ccccc1 7a_100009815974_100012180447 [0,0,1,0,0,1|2,0,0]=4 787 B15R1.741 CCC(C)CC(C)NCc1ccccc1 207a_100000763565_100015611070 [0,0,1,0,0,1|2,0,0]=4 788 B15R1.741 CCC(C)CC(C)NCc1ccccc1 2230a_100000763565_100015291786 [0,0,1,0,0,1|2,0,0]=4 789 B15R1.741 CCC(C)CC(C)NCc1ccccc1 270004a_100000763565_100015611070 [0,0,1,0,0,1|2,0,0]=4 790 B15R1.741 CCC(C)CC(C)NCc1ccccc1 270004a_100015324214_100011710205 [0,0,1,0,0,1|2,0,0]=4 791 B15R1.741 CCC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000758301 [0,0,1,0,0,1|2,0,0]=4 792 B15R1.741 CCC(C)NC(C)CCc1ccccc1 270004a_100000209981_100000210092 [0,0,1,0,0,1|2,0,0]=4 793 B15R1.741 CCC(C)NC(C)CCc1ccccc1 34a_100000210798_100011215416 [0,0,1,0,0,1|2,0,0]=4 794 B15R1.741 CCC(C)NC(C)COc1ccccc1 2230a_100000746794_100000758301 [0,0,1,0,0,1|2,0,0]=4 795 B15R1.741 CCC(C)NC(C)COc1ccccc1 270004a_100000209981_100000150576 [0,0,1,0,0,1|2,0,0]=4 796 B15R1.741 CCC(C)NC(C)COc1ccccc1 34a_100000746794_100011215416 [0,0,1,0,0,1|2,0,0]=4 797 B15R1.741 CCC(C)NC(C)CSc1ccccc1 270004a_100000209981_100000150717 [0,0,1,0,0,1|2,0,0]=4 798 B15R1.741 CCC(C)OC(C)C#Cc1ccccc1 34a_200000065209_100011215416 [0,0,1,0,0,1|1,0,1]=4 799 B15R1.741 CCC(C)OC(C)C#Cc1ccccc1 7a_200000065209_100000758301 [0,0,1,0,0,1|1,0,1]=4 800 B15R1.741 CCC(C)OC(C)COc1ccccc1 34a_100000210911_100011215416 [0,0,1,0,0,1|1,0,0]=3 801 B15R1.741 CCC(C)OC(C)COc1ccccc1 7a_100000210911_100000758301 [0,0,1,0,0,1|1,0,0]=3 802 B15R1.741 CCC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_100011215416 [0,0,1,0,0,1|1,0,0]=3 803 B15R1.741 CCC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000758301 [0,0,1,0,0,1|1,0,0]=3 804 B15R1.741 CCN(C)CC(O)COc1ccccc1 2230a_100000179124_200000210301 [0,0,1,0,0,1|2,0,0]=4 805 B15R1.741 CCN(C)CC(O)COc1ccccc1 269982a_100000179124_200000210301 [0,0,1,0,0,1|2,0,0]=4 806 B15R1.741 CCN([13CH3])CC(O)COc1ccccc1 2230a_100000179124_200025704644 [0,0,1,0,0,1|2,0,0]=4 807 B15R1.741 CCN([13CH3])CC(O)COc1ccccc1 269982a_100000179124_200025704644 [0,0,1,0,0,1|2,0,0]=4 808 B15R1.964 C#C[C@@H](C)OC[C@@H](O)Cc1ccccc1 34a_100009815206_100000729385 [0,0,1,0,0,1|0,0,2]=4 809 B15R1.964 C#C[C@@H](C)OC[C@@H](O)Cc1ccccc1 7a_100009815206_100000729385 [0,0,1,0,0,1|0,0,2]=4 810 B15R1.964 C=CC(C)OC[C@@H](O)Cc1ccccc1 34a_100000695699_100000729385 [0,0,1,0,0,1|0,0,2]=4 811 B15R1.964 CC(C#N)OC[C@@H](O)Cc1ccccc1 34a_100011218135_100000729385 [0,0,1,0,0,1|1,0,1]=4 812 B15R1.964 CC(CF)OC[C@@H](O)Cc1ccccc1 34a_100016041109_100000729385 [0,0,1,0,0,1|1,0,0]=3 813 B15R1.964 CC(CF)OC[C@@H](O)Cc1ccccc1 7a_100016041109_100000729385 [0,0,1,0,0,1|1,0,0]=3 814 B15R1.964 CC(CN)COC(C)Cc1ccccc1 34a_100000744482_200011218536 [0,0,1,0,0,1|2,0,0]=4 815 B15R1.964 CC(CN)OC[C@@H](O)Cc1ccccc1 34a_100000210904_100000729385 [0,0,1,0,0,1|1,0,0]=3 816 B15R1.964 CC(CO)NCC(O)Cc1ccccc1 2230a_100000752270_100012180447 [0,0,1,0,0,1|2,0,0]=4 817 B15R1.964 CC(CO)OCC(N)Cc1ccccc1 34a_100000739027_100012180447 [0,0,1,0,0,1|2,0,0]=4 818 B15R1.964 CC(CO)SC[C@@H](O)Cc1ccccc1 62a_100012180447_100000729385 [0,0,1,0,0,1|1,1,0]=4 819 B15R1.964 CC(COC(C)CO)Cc1ccccc1 34a_100012125295_100012180447 [0,0,1,0,0,1|2,0,0]=4 820 B15R1.964 CC(COC(C)CO)Cc1ccccc1 7a_100012125295_100012180447 [0,0,1,0,0,1|2,0,0]=4 821 B15R1.964 CC(Cc1ccccc1)OC[C@@H](C)CO 34a_100000748627_100000059175 [0,0,1,0,0,1|2,0,0]=4 822 B15R1.964 CC(Cc1ccccc1)OC[C@@H](C)CO 7a_100000748627_100000059175 [0,0,1,0,0,1|2,0,0]=4 823 B15R1.964 CCC(C)COC(C)Cc1ccccc1 34a_100000748627_100000748023 [0,0,1,0,0,1|1,0,0]=3 824 B15R1.964 CCC(C)COC(C)Cc1ccccc1 7a_100000748627_100000748023 [0,0,1,0,0,1|1,0,0]=3 825 B15R1.964 CCC(C)CSC(C)Cc1ccccc1 62a_100000748023_200011218536 [0,0,1,0,0,1|1,1,0]=4 826 B15R1.964 CCC(C)CSC(C)Cc1ccccc1 62a_200011218536_100000748023 [0,0,1,0,0,1|1,1,0]=4 827 B15R1.964 CCC(C)NCC(O)Cc1ccccc1 2230a_100000752270_100000758301 [0,0,1,0,0,1|1,0,0]=3 828 B15R1.964 CCC(C)NC[C@@H](O)Cc1ccccc1 2230a_100000209981_100000729385 [0,0,1,0,0,1|1,0,0]=3 829 B15R1.964 CCC(C)OCC(=O)Cc1ccccc1 7a_100000210228_100000233483 [0,0,1,0,0,1|0,0,2]=4 830 B15R1.964 CCC(C)OCC(C)Cc1ccccc1 34a_100012125295_100011215416 [0,0,1,0,0,1|1,0,0]=3 831 B15R1.964 CCC(C)OCC(C)Cc1ccccc1 7a_100012125295_100000758301 [0,0,1,0,0,1|1,0,0]=3 832 B15R1.964 CCC(C)OCC(C)Oc1ccccc1 34a_200000036796_100011215416 [0,0,1,0,0,1|2,0,0]=4 833 B15R1.964 CCC(C)OCC(C)Oc1ccccc1 7a_200000036796_100000758301 [0,0,1,0,0,1|2,0,0]=4 834 B15R1.964 CCC(C)OCC(N)Cc1ccccc1 34a_100000739027_100011215416 [0,0,1,0,0,1|1,0,0]=3 835 B15R1.964 CCC(C)OC[C@@H](O)Cc1ccccc1 7a_100000210228_100000729385 [0,0,1,0,0,1|0,0,0]=2 836 B15R1.964 CCC(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000758301 [0,0,1,0,0,1|0,1,0]=3 837 B15R1.964 CCC(C)SC[C@@H](O)Cc1ccccc1 62a_100000758301_100000729385 [0,0,1,0,0,1|0,1,0]=3 838 B15R1.964 CCC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218378 [0,0,1,0,0,1|2,0,0]=4 839 B15R1.964 CCC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218378 [0,0,1,0,0,1|2,0,0]=4 840 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 34a_100000748627_100009816398 [0,0,1,0,0,1|1,0,0]=3 841 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 7a_100000748627_100009816398 [0,0,1,0,0,1|1,0,0]=3 842 B15R1.964 CC[C@H](C)COC(C)Cc1ccccc1 7a_100009816381_200011218536 [0,0,1,0,0,1|1,0,0]=3 843 B15R1.964 CC[C@H](C)CSC(C)Cc1ccccc1 62a_100009816398_200011218536 [0,0,1,0,0,1|1,1,0]=4 844 B15R1.964 CC[C@H](C)CSC(C)Cc1ccccc1 62a_200011218536_100009816398 [0,0,1,0,0,1|1,1,0]=4 845 B15R1.964 COC(C)COC(C)Cc1ccccc1 34a_100000690652_200011218536 [0,0,1,0,0,1|2,0,0]=4 846 B15R1.964 COC(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100009879195 [0,0,1,0,0,1|1,1,0]=4 847 B15R1.964 COC(C)SC[C@@H](O)Cc1ccccc1 62a_100009879195_100000729385 [0,0,1,0,0,1|1,1,0]=4 848 B15R1.964 C[C@H](CO)NC[C@@H](O)Cc1ccccc1 2230a_100000737577_100000729385 [0,0,1,0,0,1|2,0,0]=4 849 B15R1.964 C[C@H](CO)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100016084084 [0,0,1,0,0,1|1,1,0]=4 850 B15R1.964 C[C@H](CO)SC[C@@H](O)Cc1ccccc1 62a_100016084084_100000729385 [0,0,1,0,0,1|1,1,0]=4 851 B15R1.3664 CC(=NNCCc1ccccc1)C(C)O 4a_100000740470_100000212229 [0,0,1,0,0,1|1,0,1]=4 852 B15R1.3664 CC(=O)C(C)COCCc1ccccc1 34a_100000032740_100000765856 [0,0,1,0,0,1|0,0,2]=4 853 B15R1.3664 CC(=O)C(C)COCCc1ccccc1 7a_100000032740_100000765856 [0,0,1,0,0,1|0,0,2]=4 854 B15R1.3664 CC(=O)C(C)OCCCc1ccccc1 34a_100000212229_100000211621 [0,0,1,0,0,1|0,0,2]=4 855 B15R1.3664 CC(=O)C(C)OCCCc1ccccc1 7a_100000210828_100000179758 [0,0,1,0,0,1|0,0,2]=4 856 B15R1.3664 CC(=O)C(C)OCCOc1ccccc1 34a_100000212229_100000184471 [0,0,1,0,0,1|0,0,2]=4 857 B15R1.3664 CC(=O)C(C)OCCOc1ccccc1 7a_100000210260_100000179758 [0,0,1,0,0,1|0,0,2]=4 858 B15R1.3664 CC(=O)C(C)OCCSc1ccccc1 34a_100000212229_100000246102 [0,0,1,0,0,1|0,0,2]=4 859 B15R1.3664 CC(=O)C(C)OCCSc1ccccc1 7a_100000230494_100000179758 [0,0,1,0,0,1|0,0,2]=4 860 B15R1.3664 CC(=O)C(C)OCOCc1ccccc1 34a_100000212229_100000763385 [0,0,1,0,0,1|0,0,2]=4 861 B15R1.3664 CC(=O)C(C)OCSCc1ccccc1 34a_100000212229_200011217039 [0,0,1,0,0,1|0,0,2]=4 862 B15R1.3664 CC(C)C(C)NCCCc1ccccc1 2230a_100000211541_100000211621 [0,0,1,0,0,1|2,0,0]=4 863 B15R1.3664 CC(C)C(C)NCCOc1ccccc1 2230a_100000211541_100000184471 [0,0,1,0,0,1|2,0,0]=4 864 B15R1.3664 CC(C)C(C)NCCOc1ccccc1 270004a_100000211541_100000758736 [0,0,1,0,0,1|2,0,0]=4 865 B15R1.3664 CC(C)C(C)NCCSc1ccccc1 2230a_100000211541_100000246102 [0,0,1,0,0,1|2,0,0]=4 866 B15R1.3664 CC(C)C(C)NCOCc1ccccc1 2230a_100000211541_100000763385 [0,0,1,0,0,1|2,0,0]=4 867 B15R1.3664 CC(C)C(C)NCSCc1ccccc1 2230a_100000211541_200011217039 [0,0,1,0,0,1|2,0,0]=4 868 B15R1.3664 CC(C)C(C)OC/C=C/c1ccccc1 7a_100000748068_100016265936 [0,0,1,0,0,1|1,0,1]=4 869 B15R1.3664 CC(C)C(C)OCC#Cc1ccccc1 7a_100000748068_100011352542 [0,0,1,0,0,1|1,0,1]=4 870 B15R1.3664 CC(C)C(C)OCCCc1ccccc1 7a_100000748068_100000211621 [0,0,1,0,0,1|1,0,0]=3 871 B15R1.3664 CC(C)C(C)OCCOc1ccccc1 7a_100000748068_100000184471 [0,0,1,0,0,1|1,0,0]=3 872 B15R1.3664 CC(C)C(C)OCCSc1ccccc1 7a_100000748068_100000246102 [0,0,1,0,0,1|1,0,0]=3 873 B15R1.3664 CC(C)[C@@H](N)COCCc1ccccc1 34a_100011830312_100000765856 [0,0,1,0,0,1|2,0,0]=4 874 B15R1.9084 CC(=CC(C)OCCc1ccccc1)C 34a_100000717055_100000765856 [0,0,1,0,0,1|1,0,1]=4 875 B15R1.9084 CC(C)CC(C)NCCc1ccccc1 2230a_100000106460_100000731052 [0,0,1,0,0,1|2,0,0]=4 876 B15R1.9084 CC(C)CC(C)NCCc1ccccc1 2230a_100000692259_100000765856 [0,0,1,0,0,1|2,0,0]=4 877 B15R1.9084 CC(C)CC(C)NCCc1ccccc1 34a_100000106460_100000731052 [0,0,1,0,0,1|2,0,0]=4 878 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 34a_100000210268_100000731052 [0,0,1,0,0,1|1,0,0]=3 879 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 34a_100000211805_100000765856 [0,0,1,0,0,1|1,0,0]=3 880 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 7a_100000210268_100000731052 [0,0,1,0,0,1|1,0,0]=3 881 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 7a_100000211805_100000765856 [0,0,1,0,0,1|1,0,0]=3 882 B15R1.9084 CC(C)CC(C)OCCc1ccccn1 34a_100000210271_100000731052 [0,0,1,0,0,1|2,0,0]=4 883 B15R1.9084 CC(C)CC(C)OCCc1ccccn1 7a_100000211805_100015183660 [0,0,1,0,0,1|2,0,0]=4 884 B15R1.9084 CC(C)CC(C)OCCc1cccnc1 34a_100011217484_100000731052 [0,0,1,0,0,1|2,0,0]=4 885 B15R1.9084 CC(C)CC(C)OCCc1cccnc1 7a_100000211805_200011713674 [0,0,1,0,0,1|2,0,0]=4 886 B15R1.9084 CC(C)CC(C)OCCc1ccncc1 34a_100011216225_100000731052 [0,0,1,0,0,1|2,0,0]=4 887 B15R1.9084 CC(C)CC(C)OCCc1ccncc1 7a_100000211805_100000723409 [0,0,1,0,0,1|2,0,0]=4 888 B15R1.9084 CC(C)CC(C)SCCc1ccccc1 62a_100000731052_100011218657 [0,0,1,0,0,1|1,1,0]=4 889 B15R1.9084 CC(C)CC(C)SCCc1ccccc1 62a_100000765856_100000731052 [0,0,1,0,0,1|1,1,0]=4 890 B15R1.9084 CC(C)NC(C)CCCc1ccccc1 2230a_100138425928_200010759516 [0,0,1,0,0,1|2,0,0]=4 891 B15R1.9084 CC(C)NC(C)CCCc1ccccc1 34a_100138425928_200010759516 [0,0,1,0,0,1|2,0,0]=4 892 B15R1.9084 CC(C)OC(C)CCCc1ccccc1 34a_100000212225_200010759516 [0,0,1,0,0,1|2,0,0]=4 893 B15R1.9084 CC(C)SC(C)CCCc1ccccc1 62a_100000210206_200010759516 [0,0,1,0,0,1|2,0,0]=4 894 B15R1.9084 CC(C)SC(C)CCCc1ccccc1 62a_200010759516_100000210206 [0,0,1,0,0,1|2,0,0]=4 895 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 2230a_100000227577_100000211621 [0,0,1,0,0,1|2,0,0]=4 896 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 2230a_100000693637_100011218427 [0,0,1,0,0,1|2,0,0]=4 897 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 269982a_100000227577_100000211621 [0,0,1,0,0,1|2,0,0]=4 898 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 269982a_100000693637_100011218427 [0,0,1,0,0,1|2,0,0]=4 899 B15R1.9084 C[C@@H](O)CN(C)CCCc1ccccc1 2230a_100000693637_100009817552 [0,0,1,0,0,1|2,0,0]=4 900 B15R1.9084 C[C@@H](O)CN(C)CCCc1ccccc1 269982a_100000693637_100009817552 [0,0,1,0,0,1|2,0,0]=4 901 B15R2.283 CC1CCC(C1)NCc2ccccc2 270004a_100015324214_100011215218 [1,0,0,0,0,1|2,0,0]=4 902 B15R2.283 CC1CCC(C1)OCc2ccccc2 34a_100000698185_100015291786 [1,0,0,0,0,1|2,0,0]=4 903 B17R2.193 CC1CCC(CC1C)NCc2ccccc2 270004a_100015324214_100000759390 [0,0,0,0,0,2|2,0,0]=4 904 B17R2.193 CC1CCC(CC1C)OCc2ccccc2 34a_100011215933_100015291786 [0,0,0,0,0,2|2,0,0]=4 905 B17R2.193 CC1CCC(CC1C)OCc2ccccc2 7a_100011215933_100000211182 [0,0,0,0,0,2|2,0,0]=4 906 B17R2.3212 CC1CC(CC(C1)NCc2ccccc2)C 270004a_100015324214_100000753413 [0,0,0,0,0,2|2,0,0]=4 907 B17R2.3212 CC1CC(CC(O1)C)NCc2ccccc2 270004a_100015324214_200102525066 [0,0,0,0,0,2|2,0,0]=4 908 B17R2.3212 CC1CC(CC(O1)C)OCc2ccccc2 34a_200000691454_100015291786 [0,0,0,0,0,2|2,0,0]=4 909 B17R2.3212 CC1CC(CC(O1)C)OCc2ccccc2 7a_200000691454_100000211182 [0,0,0,0,0,2|2,0,0]=4