0 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100011290941_100000728258 [0,0,0,0,0,0|1,0,1]=2 1 B16R2.42567 C=Cc1cnc2[nH]cc(c2c1)CN(C)C 271570a_100011290941_200010174824 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000049097_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000049097_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B16R2.42567 CN(C)Cc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100000728258 [0,0,0,0,0,0|0,1,0]=1 5 B16R2.42567 CN(C)Cc1c[nH]c2c1cc(cn2)S[13CH3] 62a_200025704644_200010174824 [0,0,0,0,0,0|1,1,0]=2 6 B16R2.42567 COc1cc2c(c[nH]c2cn1)C=C(C)C 271570a_100102525489_200010163580 [0,0,0,0,0,0|2,0,1]=3 7 B16R2.42567 COc1cc2c(c[nH]c2cn1)SC(C)C 62a_100000210206_200010163580 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000739362_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000739362_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B16R2.42567 COc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100000748866 [0,0,0,0,0,0|0,0,0]=0 11 B16R2.42567 COc1ccc2[nH]cc(c2n1)C=C(C)C 271570a_100102525489_100010199035 [0,0,0,0,0,0|2,0,1]=3 12 B16R2.42567 COc1ccc2[nH]cc(c2n1)SC(C)C 62a_100000210206_100010199035 [0,0,0,0,0,0|3,0,0]=3 13 B16R2.42567 COc1ccc2[nH]nc(c2c1)C=C(C)C 271570a_100102525489_100012353730 [0,0,0,0,0,0|2,0,1]=3 14 B16R2.42567 COc1ccc2[nH]nc(c2c1)CN(C)C 270004a_100102631434_100000084273 [0,0,0,0,0,0|1,0,0]=1 15 B16R2.42567 COc1ccc2[nH]nc(c2c1)SC(C)C 62a_100000210206_100012353730 [0,0,0,0,0,0|3,0,0]=3 16 B16R2.42567 COc1ccc2[nH]nc(c2n1)C=C(C)C 271570a_100102525489_200010246295 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.42567 COc1ccc2[nH]nc(c2n1)SC(C)C 62a_100000210206_200010246295 [0,0,0,0,0,0|4,0,0]=4 18 B16R2.42567 COc1cnc2[nH]cc(c2c1)C=C(C)C 271570a_100102525489_100010199036 [0,0,0,0,0,0|2,0,1]=3 19 B16R2.42567 COc1cnc2[nH]cc(c2c1)SC(C)C 62a_100000210206_100010199036 [0,0,0,0,0,0|3,0,0]=3 20 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200000210301 [0,0,0,0,0,0|3,1,0]=4 21 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CN(C)C 62a_200000210301_100000728258 [0,0,0,0,0,0|0,1,0]=1 22 B16R2.42567 CSc1cnc2[nH]cc(c2c1)CN(C)C 62a_200000210301_200010174824 [0,0,0,0,0,0|1,1,0]=2 23 B16R2.42567 [13CH3]Sc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200025704644 [0,0,0,0,0,0|3,1,0]=4 24 B15R2.9410 CC(=Cc1c[nH]c2c1cc(cn2)C)C 271570a_100102525489_100010246215 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.9410 CC(=Cc1n[nH]c2c1cc(cc2)C)C 271570a_100102525489_100000123028 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [1,0,0,0,0,0|2,0,0]=3 28 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [1,0,0,0,0,0|2,0,0]=3 31 B15R2.9410 CC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.9410 CC(=O)Oc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000755435 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000728258 [1,0,0,0,0,0|0,0,0]=1 35 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_200010174824 [1,0,0,0,0,0|1,0,0]=2 36 B15R2.9410 CN(C)Cc1c[nH]c2c1nc(cn2)Br 270004a_100102631434_100010090762 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.9410 CN(C)Cc1cnc2n1cc(cc2)Br 270004a_100102631434_100000757799 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.9410 CN(C)Cc1cnc2n1cc(cc2)Cl 270004a_100102631434_100000095899 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Br 270004a_100102631434_100009814807 [1,0,0,0,0,0|2,0,0]=3 40 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 2230a_100102631434_100009814428 [1,0,0,0,0,0|2,0,0]=3 41 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 269982a_100102631434_100009814428 [1,0,0,0,0,0|2,0,0]=3 42 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 270004a_100102631434_100000040578 [1,0,0,0,0,0|2,0,0]=3 43 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)F 2230a_100102631434_100010109839 [1,0,0,0,0,0|2,0,0]=3 44 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)F 269982a_100102631434_100010109839 [1,0,0,0,0,0|2,0,0]=3 45 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)Br 270004a_100102631434_100009888965 [1,0,0,0,0,0|2,0,0]=3 46 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)Cl 270004a_100102631434_100000086617 [1,0,0,0,0,0|2,0,0]=3 47 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)F 270004a_100102631434_100000084349 [1,0,0,0,0,0|2,0,0]=3 48 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cn2)Br 270004a_100102631434_100010234984 [1,0,0,0,0,0|3,0,0]=4 49 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [1,0,0,0,0,0|2,0,0]=3 50 B15R2.9410 Cc1ccc2[nH]cc(c2n1)SC(C)C 62a_100000210206_100010212567 [1,0,0,0,0,0|3,0,0]=4 51 B15R2.9410 Cc1ccc2[nH]nc(c2c1)CN(C)C 270004a_100102631434_100000050950 [1,0,0,0,0,0|1,0,0]=2 52 B15R2.9410 Cc1ccc2[nH]nc(c2c1)SC(C)C 62a_100000210206_100000123028 [1,0,0,0,0,0|3,0,0]=4 53 B15R2.9410 Cc1ccc2ncc(n2c1)CN(C)C 270004a_100102631434_100000097737 [1,0,0,0,0,0|1,0,1]=3 54 B15R2.9410 Cc1ccc2occ(c2c1)CC(=O)[13CH3] 1458a_100000188615_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B15R2.9410 Cc1ccc2scc(c2c1)CC(=O)[13CH3] 1458a_100000242747_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B15R2.9410 Cc1cnc2[nH]cc(c2c1)SC(C)C 62a_100000210206_100010246215 [1,0,0,0,0,0|3,0,0]=4 57 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [1,0,0,0,0,0|3,0,0]=4 58 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [1,0,0,0,0,0|2,0,0]=3 62 B15R2.54412 CC=Cc1c[nH]c2c1cc(cn2)OC 271570a_100016259895_100010199036 [1,0,0,0,0,0|2,0,1]=4 63 B15R2.54412 CC=Cc1c[nH]c2c1cc(nc2)OC 271570a_100016259895_200010163580 [1,0,0,0,0,0|2,0,1]=4 64 B15R2.54412 CC=Cc1c[nH]c2c1nc(cc2)OC 271570a_100016259895_100010199035 [1,0,0,0,0,0|2,0,1]=4 65 B15R2.54412 CC=Cc1n[nH]c2c1cc(cc2)OC 271570a_100016259895_100012353730 [1,0,0,0,0,0|2,0,1]=4 66 B15R2.54412 CCSc1c[nH]c2c1cc(cn2)OC 62a_100000210202_100010199036 [1,0,0,0,0,0|3,0,0]=4 67 B15R2.54412 CCSc1c[nH]c2c1cc(nc2)OC 62a_100000210202_200010163580 [1,0,0,0,0,0|3,0,0]=4 68 B15R2.54412 CCSc1c[nH]c2c1nc(cc2)OC 62a_100000210202_100010199035 [1,0,0,0,0,0|3,0,0]=4 69 B15R2.54412 CCSc1n[nH]c2c1cc(cc2)OC 62a_100000210202_100012353730 [1,0,0,0,0,0|3,0,0]=4 70 B15R2.54412 CNCc1c[nH]c2c1cc(cc2)OC 270004a_106832991635_100000748866 [1,0,0,0,0,0|0,0,0]=1 71 B15R2.54412 CNCc1n[nH]c2c1cc(cc2)OC 207a_100102657272_100000084273 [1,0,0,0,0,0|1,0,0]=2 72 B15R2.54412 CNCc1n[nH]c2c1cc(cc2)OC 270004a_106832991635_100000084273 [1,0,0,0,0,0|1,0,0]=2 73 B15R2.54412 COc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200000210301 [1,0,0,0,0,0|2,0,0]=3 74 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCN 62a_200000210301_100016990496 [1,0,0,0,0,0|2,1,0]=4 75 B15R2.54412 CSc1ccc2[nH]cc(c2c1)CCO 62a_200000210301_100011933977 [1,0,0,0,0,0|2,1,0]=4 76 B15R2.54412 [13CH3]Oc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCN 62a_200025704644_100016990496 [1,0,0,0,0,0|2,1,0]=4 78 B15R2.54412 [13CH3]Sc1ccc2[nH]cc(c2c1)CCO 62a_200025704644_100011933977 [1,0,0,0,0,0|2,1,0]=4 79 B17R2.11798 COc1ccc2[nH]c(c(c2c1)CC(=O)C)C 1458a_100000032111_200000210301 [0,1,0,0,0,0|2,0,0]=3 80 B17R2.11798 COc1ccc2[nH]c(c(c2c1)CC(=O)[13CH3])C 1458a_100000032111_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B17R2.11798 COc1ccc2c(c1)C(=C(C2)C)CC(=O)C 1458a_100010423569_200000210301 [0,1,0,0,0,0|3,0,0]=4 82 B17R2.11798 COc1ccc2c(c1)C(=C(C2)C)CC(=O)[13CH3] 1458a_100010423569_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B17R2.27792 C=C=Cc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100015277604_100000728258 [0,1,0,0,0,0|1,0,1]=3 84 B17R2.27792 C=C=Cc1cnc2[nH]cc(c2c1)CN(C)C 271570a_100015277604_200010174824 [0,1,0,0,0,0|2,0,1]=4 85 B17R2.27792 CC=Cc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100016259895_100000728258 [0,1,0,0,0,0|1,0,0]=2 86 B17R2.27792 CC=Cc1cnc2[nH]cc(c2c1)CN(C)C 271570a_100016259895_200010174824 [0,1,0,0,0,0|2,0,0]=3 87 B17R2.27792 CCOc1ccc2[nH]cc(c2c1)CN(C)C 270004a_100102631434_100102524904 [0,1,0,0,0,0|0,0,0]=1 88 B17R2.27792 CCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000210202_100000728258 [0,1,0,0,0,0|0,1,0]=2 89 B17R2.27792 CCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000210202_200010174824 [0,1,0,0,0,0|1,1,0]=3 90 B17R2.27792 CN(C)Cc1c[nH]c2c1cc(cc2)SCF 62a_100015361967_100000728258 [0,1,0,0,0,0|0,1,0]=2 91 B17R2.27792 CN(C)Cc1c[nH]c2c1cc(cn2)SCF 62a_100015361967_200010174824 [0,1,0,0,0,0|1,1,0]=3 92 B17R2.73214 COc1cc2c(c[nH]c2cn1)SC(C)(C)C 62a_100000211941_200010163580 [0,1,0,0,0,0|3,0,0]=4 93 B17R2.73214 COc1ccc2[nH]cc(c2n1)SC(C)(C)C 62a_100000211941_100010199035 [0,1,0,0,0,0|3,0,0]=4 94 B17R2.73214 COc1ccc2[nH]nc(c2c1)SC(C)(C)C 62a_100000211941_100012353730 [0,1,0,0,0,0|3,0,0]=4 95 B17R2.73214 COc1cnc2[nH]cc(c2c1)SC(C)(C)C 62a_100000211941_100010199036 [0,1,0,0,0,0|3,0,0]=4 96 B17R2.73215 CCC(=O)Cc1c[nH]c2c1cc(cc2)CC 1458a_100000049097_100000210202 [0,1,0,0,0,0|3,0,0]=4 97 B17R2.73215 CCC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000210202 [0,1,0,0,0,0|2,0,0]=3 98 B17R2.73215 CCC(C)Sc1c[nH]c2c1cc(cn2)OC 62a_100000758301_100010199036 [0,1,0,0,0,0|3,0,0]=4 99 B17R2.73215 CCC(C)Sc1c[nH]c2c1cc(nc2)OC 62a_100000758301_200010163580 [0,1,0,0,0,0|3,0,0]=4 100 B17R2.73215 CCC(C)Sc1c[nH]c2c1nc(cc2)OC 62a_100000758301_100010199035 [0,1,0,0,0,0|3,0,0]=4 101 B17R2.73215 CCC(C)Sc1n[nH]c2c1cc(cc2)OC 62a_100000758301_100012353730 [0,1,0,0,0,0|3,0,0]=4 102 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)CF 1458a_100000049097_100015361967 [0,1,0,0,0,0|3,0,0]=4 103 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)NC 11a_106832991635_100000049097 [0,1,0,0,0,0|3,0,0]=4 104 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)NC 240690a_100102657272_100000049097 [0,1,0,0,0,0|3,0,0]=4 105 B17R2.73215 CCc1ccc2[nH]cc(c2c1)CC(=O)NC 527a_100102657272_100000049097 [0,1,0,0,0,0|3,0,0]=4 106 B17R2.73215 CNC(=O)Cc1c[nH]c2c1cc(cc2)OC 240690a_100102657272_100000739362 [0,1,0,0,0,0|2,0,0]=3 107 B17R2.73215 CNC(=O)Cc1c[nH]c2c1cc(cc2)OC 527a_100102657272_100000739362 [0,1,0,0,0,0|2,0,0]=3 108 B17R2.73215 COc1cc2c(c[nH]c2cn1)SC(C)CO 62a_100012180447_200010163580 [0,1,0,0,0,0|3,0,0]=4 109 B17R2.73215 COc1cc2c(c[nH]c2cn1)SC(C)OC 62a_100009879195_200010163580 [0,1,0,0,0,0|3,0,0]=4 110 B17R2.73215 COc1cc2c(c[nH]c2cn1)S[C@H](C)CO 62a_100016084084_200010163580 [0,1,0,0,0,0|3,0,0]=4 111 B17R2.73215 COc1ccc2[nH]cc(c2c1)CC(=O)CF 1458a_100000739362_100015361967 [0,1,0,0,0,0|2,0,0]=3 112 B17R2.73215 COc1ccc2[nH]cc(c2n1)SC(C)CO 62a_100012180447_100010199035 [0,1,0,0,0,0|3,0,0]=4 113 B17R2.73215 COc1ccc2[nH]cc(c2n1)SC(C)OC 62a_100009879195_100010199035 [0,1,0,0,0,0|3,0,0]=4 114 B17R2.73215 COc1ccc2[nH]cc(c2n1)S[C@H](C)CO 62a_100016084084_100010199035 [0,1,0,0,0,0|3,0,0]=4 115 B17R2.73215 COc1ccc2[nH]nc(c2c1)SC(C)CO 62a_100012180447_100012353730 [0,1,0,0,0,0|3,0,0]=4 116 B17R2.73215 COc1ccc2[nH]nc(c2c1)SC(C)OC 62a_100009879195_100012353730 [0,1,0,0,0,0|3,0,0]=4 117 B17R2.73215 COc1ccc2[nH]nc(c2c1)S[C@H](C)CO 62a_100016084084_100012353730 [0,1,0,0,0,0|3,0,0]=4 118 B17R2.73215 COc1cnc2[nH]cc(c2c1)SC(C)CO 62a_100012180447_100010199036 [0,1,0,0,0,0|3,0,0]=4 119 B17R2.73215 COc1cnc2[nH]cc(c2c1)SC(C)OC 62a_100009879195_100010199036 [0,1,0,0,0,0|3,0,0]=4 120 B17R2.73215 COc1cnc2[nH]cc(c2c1)S[C@H](C)CO 62a_100016084084_100010199036 [0,1,0,0,0,0|3,0,0]=4 121 B17R2.73241 COc1cc2c(c[nH]c2cn1)C(=C(C)C)C 271570a_200000049429_200010163580 [0,1,0,0,0,0|2,0,1]=4 122 B17R2.73241 COc1ccc2[nH]cc(c2n1)C(=C(C)C)C 271570a_200000049429_100010199035 [0,1,0,0,0,0|2,0,1]=4 123 B17R2.73241 COc1ccc2[nH]nc(c2c1)C(=C(C)C)C 271570a_200000049429_100012353730 [0,1,0,0,0,0|2,0,1]=4 124 B17R2.73241 COc1cnc2[nH]cc(c2c1)C(=C(C)C)C 271570a_200000049429_100010199036 [0,1,0,0,0,0|2,0,1]=4 125 B17R2.429181 COc1ccc2c(c1)c(nn2C)C=C(C)C 271570a_100102525489_100010988832 [0,1,0,0,0,0|2,0,1]=4 126 B17R2.429181 COc1ccc2c(c1)c(nn2C)SC(C)C 62a_100000210206_100010988832 [0,1,0,0,0,0|3,0,0]=4 127 B17R2.1146278 C=C(C)c1ccc2[nH]cc(c2c1)CN(C)C 271570a_100000694244_100000728258 [0,1,0,0,0,0|1,0,0]=2 128 B17R2.1146278 C=C(C)c1cnc2[nH]cc(c2c1)CN(C)C 271570a_100000694244_200010174824 [0,1,0,0,0,0|2,0,0]=3 129 B17R2.1146278 CN(C)Cc1n[nH]c2c1cc(cc2)[N+](=O)[O-] 270004a_100102631434_100000086567 [0,1,0,0,0,0|3,0,0]=4 130 B15R1.4 CCc1ccc(cc1)NN=CCC(C)C 4a_100015204395_100000185833 [0,0,1,0,0,0|3,0,0]=4 131 B15R1.4 COc1ccc(cc1)CCCCN(C)C 2230a_100102631434_100012285823 [0,0,1,0,0,0|1,0,2]=4 132 B15R1.4 COc1ccc(cc1)CCCCN(C)C 269982a_100102631434_100012285823 [0,0,1,0,0,0|1,0,2]=4 133 B15R1.4 COc1ccc(cc1)CNCCN(C)C 207a_100000210585_100000169835 [0,0,1,0,0,0|2,0,1]=4 134 B15R1.4 COc1ccc(cc1)CNCCN(C)C 270004a_100000210585_100000169835 [0,0,1,0,0,0|2,0,1]=4 135 B15R1.4 COc1ccc(cc1)NCCCC(C)C 34a_100000184247_100011214892 [0,0,1,0,0,0|1,0,2]=4 136 B15R1.4 COc1ccc(cc1)NN=CC=C(C)C 4a_100000005221_100011215525 [0,0,1,0,0,0|2,0,1]=4 137 B15R1.4 COc1ccc(cc1)NN=CCC(C)C 4a_100000005221_100000185833 [0,0,1,0,0,0|2,0,0]=3 138 B15R1.4 COc1ccc(cc1)OCCCN(C)C 2230a_100000225731_200000210301 [0,0,1,0,0,0|1,0,2]=4 139 B15R1.4 COc1ccc(cc1)OCCCN(C)C 2230a_100102631434_100000212274 [0,0,1,0,0,0|1,0,2]=4 140 B15R1.4 COc1ccc(cc1)OCCCN(C)C 269982a_100000225731_200000210301 [0,0,1,0,0,0|1,0,2]=4 141 B15R1.4 COc1ccc(cc1)OCCCN(C)C 269982a_100102631434_100000212274 [0,0,1,0,0,0|1,0,2]=4 142 B15R1.4 COc1ccc(cc1)OCCCN(C)C 34a_100000225731_200000210301 [0,0,1,0,0,0|1,0,2]=4 143 B15R1.4 COc1ccc(cc1)OCCCN(C)[13CH3] 2230a_100000225731_200025704644 [0,0,1,0,0,0|1,0,2]=4 144 B15R1.4 COc1ccc(cc1)OCCCN(C)[13CH3] 269982a_100000225731_200025704644 [0,0,1,0,0,0|1,0,2]=4 145 B15R1.4 COc1ccc(cc1)OCCCN(C)[13CH3] 34a_100000225731_200025704644 [0,0,1,0,0,0|1,0,2]=4 146 B15R1.4 COc1ccc(cn1)NN=CCC(C)C 4a_100102564821_100000185833 [0,0,1,0,0,0|3,0,0]=4 147 B15R1.4 CSc1ccc(cc1)NN=CCC(C)C 4a_100000006515_100000185833 [0,0,1,0,0,0|2,1,0]=4 148 B15R1.1863 COc1ccc(c(c1)C(=O)CC(C)C)Br 1458a_100000211723_100000210624 [0,0,1,0,0,0|3,0,0]=4 149 B15R1.1863 COc1ccc(c(c1)C(=O)CC(C)C)C 1458a_100011399813_100000210624 [0,0,1,0,0,0|3,0,0]=4 150 B15R1.1863 COc1ccc(c(c1)C(=O)CC(C)C)Cl 1458a_100000763818_100000210624 [0,0,1,0,0,0|3,0,0]=4 151 B15R1.1863 COc1ccc(c(c1)C(=O)CC(C)C)F 1458a_100011217016_100000210624 [0,0,1,0,0,0|3,0,0]=4 152 B15R1.1863 COc1ccc(c(c1)C(=O)CC(C)C)I 1458a_100012339533_100000210624 [0,0,1,0,0,0|3,0,0]=4 153 B15R1.1863 COc1ccc(c(c1)C(=O)CC(C)C)O 1458a_100000211986_100000210624 [0,0,1,0,0,0|3,0,0]=4 154 B15R1.1863 COc1ccc(c(c1)C(=O)CN(C)C)O 269982a_100102631434_100010402061 [0,0,1,0,0,0|2,0,0]=3 155 B15R1.1863 COc1ccc(c(c1)[C@@H](N)CC(C)C)N 271570a_100015190218_100015195136 [0,0,1,0,0,0|2,0,1]=4 156 B15R2.3137 C=C(C)c1c[nH]c2c1cc(cn2)OC 271570a_100000694244_100010199036 [0,0,0,0,1,0|2,0,1]=4 157 B15R2.3137 C=C(C)c1c[nH]c2c1cc(nc2)OC 271570a_100000694244_200010163580 [0,0,0,0,1,0|2,0,1]=4 158 B15R2.3137 C=C(C)c1c[nH]c2c1nc(cc2)OC 271570a_100000694244_100010199035 [0,0,0,0,1,0|2,0,1]=4 159 B15R2.3137 C=C(C)c1n[nH]c2c1cc(cc2)OC 271570a_100000694244_100012353730 [0,0,0,0,1,0|2,0,1]=4 160 B15R2.3137 C=Cc1ccc2[nH]cc(c2c1)C(C)C 271570a_100011290941_100014147963 [0,0,0,0,1,0|2,0,1]=4 161 B15R2.3137 CC(C)c1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100014147963 [0,0,0,0,1,0|1,1,0]=3 162 B15R2.3137 CC(C)c1n[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100010332741 [0,0,0,0,1,0|2,1,0]=4 163 B15R2.3137 CSc1ccc2[nH]cc(c2c1)C(C)C 62a_200000210301_100014147963 [0,0,0,0,1,0|1,1,0]=3 164 B15R2.3137 CSc1ccc2[nH]nc(c2c1)C(C)C 62a_200000210301_100010332741 [0,0,0,0,1,0|2,1,0]=4 165 B17R2.11712 COc1ccc2c(c1)C=C(CO2)CN(C)C 270004a_100102631434_100000025530 [0,0,0,0,0,1|1,0,1]=3 166 B17R2.11712 COc1ccc2ccc(cc2c1)C=C(C)C 271570a_100102525489_100010090027 [0,0,0,0,0,1|2,0,1]=4 167 B17R2.11712 COc1ccc2ccc(cc2c1)OC(C)C 34a_100000179802_100000210206 [0,0,0,0,0,1|3,0,0]=4 168 B17R2.11712 COc1ccc2ccc(cc2c1)OC(C)C 7a_100000179802_100000210206 [0,0,0,0,0,1|3,0,0]=4 169 B17R2.11712 COc1ccc2ccc(cc2c1)SC(C)C 62a_100000210206_100010090027 [0,0,0,0,0,1|3,0,0]=4 170 B17R2.11712 COc1ccc2ccc(nc2c1)C=C(C)C 271570a_100102525489_100009877240 [0,0,0,0,0,1|2,0,1]=4 171 B17R2.11712 COc1ccc2ccc(nc2c1)NC(C)C 27a_100138425928_100009877240 [0,0,0,0,0,1|3,0,0]=4 172 B17R2.11712 COc1ccc2ccc(nc2c1)SC(C)C 62a_100000210206_100009877240 [0,0,0,0,0,1|3,0,0]=4 173 B17R2.11712 COc1ccc2ncc(cc2c1)C=C(C)C 271570a_100102525489_100000700671 [0,0,0,0,0,1|1,0,2]=4 174 B17R2.11712 COc1ccc2ncc(cc2c1)SC(C)C 62a_100000210206_100000700671 [0,0,0,0,0,1|2,0,1]=4 175 B17R2.11712 COc1ccc2ncc(nc2c1)C=C(C)C 271570a_100102525489_100009882714 [0,0,0,0,0,1|1,0,2]=4 176 B17R2.11712 COc1ccc2ncc(nc2c1)NC(C)C 27a_100138425928_100009882714 [0,0,0,0,0,1|2,0,1]=4 177 B17R2.11712 COc1ccc2ncc(nc2c1)SC(C)C 62a_100000210206_100009882714 [0,0,0,0,0,1|2,0,1]=4 178 B17R2.12011 COc1ccc2cccc(c2c1)C=C(C)C 271570a_100102525489_100010178974 [0,0,0,0,0,1|2,0,1]=4 179 B17R2.12011 COc1ccc2cccc(c2c1)CC(=O)C 1458a_100000692902_200000210301 [0,0,0,0,0,1|3,0,0]=4 180 B17R2.12011 COc1ccc2cccc(c2c1)CC(=O)[13CH3] 1458a_100000692902_200025704644 [0,0,0,0,0,1|3,0,0]=4 181 B17R2.12011 COc1ccc2cccc(c2c1)NC(C)C 34a_100000087654_100000210206 [0,0,0,0,0,1|3,0,0]=4 182 B17R2.12011 COc1ccc2cccc(c2c1)OC(C)C 34a_100000040783_100000210206 [0,0,0,0,0,1|3,0,0]=4 183 B17R2.12011 COc1ccc2cccc(c2c1)OC(C)C 7a_100000040783_100000210206 [0,0,0,0,0,1|3,0,0]=4 184 B17R2.12011 COc1ccc2cccc(c2c1)SC(C)C 62a_100000210206_100010178974 [0,0,0,0,0,1|3,0,0]=4 185 B17R2.12011 COc1ccc2ccnc(c2c1)C=C(C)C 271570a_100102525489_100012348807 [0,0,0,0,0,1|2,0,1]=4 186 B17R2.12011 COc1ccc2ccnc(c2c1)NC(C)C 27a_100138425928_100012348807 [0,0,0,0,0,1|3,0,0]=4 187 B17R2.12011 COc1ccc2ccnc(c2c1)SC(C)C 62a_100000210206_100012348807 [0,0,0,0,0,1|3,0,0]=4 188 B17R2.12011 COc1ccc2nccc(c2c1)C=C(C)C 271570a_100102525489_100011310462 [0,0,0,0,0,1|1,0,2]=4 189 B17R2.12011 COc1ccc2nccc(c2c1)CN(C)C 270004a_100102631434_100000068177 [0,0,0,0,0,1|0,0,1]=2 190 B17R2.12011 COc1ccc2nccc(c2c1)NC(C)C 27a_100138425928_100011310462 [0,0,0,0,0,1|2,0,1]=4 191 B17R2.12011 COc1ccc2nccc(c2c1)OC(C)C 34a_100000005308_100000210206 [0,0,0,0,0,1|2,0,1]=4 192 B17R2.12011 COc1ccc2nccc(c2c1)SC(C)C 62a_100000210206_100011310462 [0,0,0,0,0,1|2,0,1]=4 193 B17R2.12011 COc1ccc2ncnc(c2c1)C=C(C)C 271570a_100102525489_100011804145 [0,0,0,0,0,1|1,0,2]=4 194 B17R2.12011 COc1ccc2ncnc(c2c1)NC(C)C 27a_100138425928_100011804145 [0,0,0,0,0,1|2,0,1]=4 195 B17R2.12011 COc1ccc2ncnc(c2c1)SC(C)C 62a_100000210206_100011804145 [0,0,0,0,0,1|2,0,1]=4 196 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(cn2)OC 62a_100000748629_100010199036 [0,0,0,0,0,1|2,0,1]=4 197 B17R2.73242 C=C(C)CSc1c[nH]c2c1cc(nc2)OC 62a_100000748629_200010163580 [0,0,0,0,0,1|2,0,1]=4 198 B17R2.73242 C=C(C)CSc1c[nH]c2c1nc(cc2)OC 62a_100000748629_100010199035 [0,0,0,0,0,1|2,0,1]=4 199 B17R2.73242 C=C(C)CSc1n[nH]c2c1cc(cc2)OC 62a_100000748629_100012353730 [0,0,0,0,0,1|2,0,1]=4 200 B17R2.73242 COc1cc2c(c[nH]c2cn1)C=CC(C)C 271570a_100016257149_200010163580 [0,0,0,0,0,1|2,0,1]=4 201 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(C)C 62a_100000210624_200010163580 [0,0,0,0,0,1|2,0,0]=3 202 B17R2.73242 COc1cc2c(c[nH]c2cn1)SCC(C)O 62a_100011218427_200010163580 [0,0,0,0,0,1|3,0,0]=4 203 B17R2.73242 COc1cc2c(c[nH]c2cn1)SC[C@@H](C)O 62a_100009817552_200010163580 [0,0,0,0,0,1|3,0,0]=4 204 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [0,0,0,0,0,1|2,0,0]=3 205 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [0,0,0,0,0,1|2,0,0]=3 206 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 11a_100000084035_100015343762 [0,0,0,0,0,1|2,0,0]=3 207 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 240690a_100000084035_100015343762 [0,0,0,0,0,1|2,0,0]=3 208 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 527a_100000084035_100103153847 [0,0,0,0,0,1|2,0,0]=3 209 B17R2.73242 COc1ccc2[nH]cc(c2n1)C=CC(C)C 271570a_100016257149_100010199035 [0,0,0,0,0,1|2,0,1]=4 210 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(C)C 62a_100000210624_100010199035 [0,0,0,0,0,1|2,0,0]=3 211 B17R2.73242 COc1ccc2[nH]cc(c2n1)SCC(C)O 62a_100011218427_100010199035 [0,0,0,0,0,1|3,0,0]=4 212 B17R2.73242 COc1ccc2[nH]cc(c2n1)SC[C@@H](C)O 62a_100009817552_100010199035 [0,0,0,0,0,1|3,0,0]=4 213 B17R2.73242 COc1ccc2[nH]nc(c2c1)C=CC(C)C 271570a_100016257149_100012353730 [0,0,0,0,0,1|2,0,1]=4 214 B17R2.73242 COc1ccc2[nH]nc(c2c1)CNC(C)C 207a_100138425928_100000084273 [0,0,0,0,0,1|2,0,0]=3 215 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(C)C 62a_100000210624_100012353730 [0,0,0,0,0,1|2,0,0]=3 216 B17R2.73242 COc1ccc2[nH]nc(c2c1)SCC(C)O 62a_100011218427_100012353730 [0,0,0,0,0,1|3,0,0]=4 217 B17R2.73242 COc1ccc2[nH]nc(c2c1)SC[C@@H](C)O 62a_100009817552_100012353730 [0,0,0,0,0,1|3,0,0]=4 218 B17R2.73242 COc1ccc2[nH]nc(c2n1)SCC(C)C 62a_100000210624_200010246295 [0,0,0,0,0,1|3,0,0]=4 219 B17R2.73242 COc1cnc2[nH]cc(c2c1)C=CC(C)C 271570a_100016257149_100010199036 [0,0,0,0,0,1|2,0,1]=4 220 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(C)C 62a_100000210624_100010199036 [0,0,0,0,0,1|2,0,0]=3 221 B17R2.73242 COc1cnc2[nH]cc(c2c1)SCC(C)O 62a_100011218427_100010199036 [0,0,0,0,0,1|3,0,0]=4 222 B17R2.73242 COc1cnc2[nH]cc(c2c1)SC[C@@H](C)O 62a_100009817552_100010199036 [0,0,0,0,0,1|3,0,0]=4 223 B14R1.677 Cc1ccc(cc1)NN=CCC(C)C 4a_100000683527_100000185833 [1,0,1,0,0,0|2,0,0]=4 224 B14R1.776 CCCC=NNc1ccc(cc1)OC 4a_100000005221_100000185831 [1,0,1,0,0,0|2,0,0]=4 225 B14R1.74 COc1cccc(c1)C(=O)CC(C)C 1458a_100000188888_100000210624 [1,0,1,0,0,0|2,0,0]=4 226 B14R1.74 COc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000211451 [1,0,1,0,0,0|1,0,0]=3 227 B14R1.74 COc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100000170001 [1,0,1,0,0,0|1,0,1]=4 228 B14R1.601 CNCC(=O)c1cc(ccc1O)OC 7a_106832991635_100010402061 [1,0,1,0,0,0|2,0,0]=4 229 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)N 271570a_100016257149_100015195136 [1,0,1,0,0,0|1,0,1]=4 230 B14R1.2335 COc1ccc(c(c1)OCC(C)C)N 34a_100016989039_100000210624 [1,0,1,0,0,0|2,0,0]=4 231 B14R1.2335 COc1ccc(c(c1)OCC(C)C)N 7a_100016989039_100000210760 [1,0,1,0,0,0|2,0,0]=4 232 B14R1.2335 COc1ccc(c(c1)SCC(C)C)N 62a_100000210624_100015195136 [1,0,1,0,0,0|2,0,0]=4 233 B14R1.2335 COc1ccc(c(c1)SCC(C)C)N 62a_100015195136_100000210760 [1,0,1,0,0,0|2,0,0]=4 234 B14R1.6052 CN(C)CC(=O)c1cc(ccc1O)O 269982a_100102631434_100009814097 [1,0,1,0,0,0|2,0,0]=4 235 B14R1.6052 Cc1ccc(c(c1)C(=O)CN(C)C)C 2230a_100102631434_100000183774 [1,0,1,0,0,0|2,0,0]=4 236 B14R1.6052 Cc1ccc(c(c1)C(=O)CN(C)C)C 269982a_100102631434_100000183774 [1,0,1,0,0,0|2,0,0]=4 237 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [2,0,0,0,0,0|2,0,0]=4 238 B14R2.2 CN(C)Cc1c[nH]c2c1ccnc2 270004a_100102631434_100000087688 [2,0,0,0,0,0|1,0,0]=3 239 B14R2.2 CN(C)Cc1cnc2n1cccc2 2230a_100015184908_200000210301 [2,0,0,0,0,0|1,0,1]=4 240 B14R2.2 CN(C)Cc1cnc2n1cccc2 269982a_100015184908_200000210301 [2,0,0,0,0,0|1,0,1]=4 241 B14R2.2 CN(C)Cc1cnc2n1cccc2 270004a_100102631434_100000052358 [2,0,0,0,0,0|1,0,1]=4 242 B14R2.2 CN(C)Cc1cnn2c1cccc2 270004a_100102631434_100011787723 [2,0,0,0,0,0|1,0,1]=4 243 B14R2.2 CN(C)Cc1coc2c1cccc2 270004a_100102631434_100000688544 [2,0,0,0,0,0|1,0,0]=3 244 B14R2.2 CN(C)Cc1csc2c1cccc2 2230a_100102631434_200000742921 [2,0,0,0,0,0|1,0,0]=3 245 B14R2.2 CN(C)Cc1csc2c1cccc2 269982a_100102631434_200000742921 [2,0,0,0,0,0|1,0,0]=3 246 B14R2.2 CN(C)Cc1csc2c1cccc2 270004a_100102631434_100000239721 [2,0,0,0,0,0|1,0,0]=3 247 B14R2.2 CN(C)Cc1n[nH]c2c1cccc2 270004a_100102631434_100000059708 [2,0,0,0,0,0|1,0,0]=3 248 B14R2.2 CN([13CH3])Cc1cnc2n1cccc2 2230a_100015184908_200025704644 [2,0,0,0,0,0|1,0,1]=4 249 B14R2.2 CN([13CH3])Cc1cnc2n1cccc2 269982a_100015184908_200025704644 [2,0,0,0,0,0|1,0,1]=4 250 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [2,0,0,0,0,0|2,0,0]=4 251 B14R2.6419 CNCc1cnc2n1cc(cc2)C 207a_100102657272_100000097737 [2,0,0,0,0,0|1,0,1]=4 252 B14R2.6419 CNCc1cnc2n1cc(cc2)C 270004a_106832991635_100000097737 [2,0,0,0,0,0|1,0,1]=4 253 B14R2.6419 CNCc1csc2c1cc(cc2)Br 207a_100102657272_100009814807 [2,0,0,0,0,0|2,0,0]=4 254 B14R2.6419 CNCc1csc2c1cc(cc2)Br 270004a_106832991635_100009814807 [2,0,0,0,0,0|2,0,0]=4 255 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 207a_100102657272_100000040578 [2,0,0,0,0,0|2,0,0]=4 256 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 2230a_106832991635_100009814428 [2,0,0,0,0,0|2,0,0]=4 257 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 270004a_106832991635_100000040578 [2,0,0,0,0,0|2,0,0]=4 258 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 34a_100102657272_100009814428 [2,0,0,0,0,0|2,0,0]=4 259 B14R2.6419 CNCc1csc2c1cc(cc2)Cl 7a_106832991635_100009814428 [2,0,0,0,0,0|2,0,0]=4 260 B14R2.6419 CNCc1csc2c1cc(cc2)F 2230a_106832991635_100010109839 [2,0,0,0,0,0|2,0,0]=4 261 B14R2.6419 CNCc1csc2c1cc(cc2)F 34a_100102657272_100010109839 [2,0,0,0,0,0|2,0,0]=4 262 B14R2.6419 CNCc1csc2c1cc(cc2)F 7a_106832991635_100010109839 [2,0,0,0,0,0|2,0,0]=4 263 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Br 207a_100102657272_100009888965 [2,0,0,0,0,0|2,0,0]=4 264 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Br 270004a_106832991635_100009888965 [2,0,0,0,0,0|2,0,0]=4 265 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)C 207a_100102657272_100000050950 [2,0,0,0,0,0|1,0,0]=3 266 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)C 270004a_106832991635_100000050950 [2,0,0,0,0,0|1,0,0]=3 267 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Cl 207a_100102657272_100000086617 [2,0,0,0,0,0|2,0,0]=4 268 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)Cl 270004a_106832991635_100000086617 [2,0,0,0,0,0|2,0,0]=4 269 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)F 207a_100102657272_100000084349 [2,0,0,0,0,0|2,0,0]=4 270 B14R2.6419 CNCc1n[nH]c2c1cc(cc2)F 270004a_106832991635_100000084349 [2,0,0,0,0,0|2,0,0]=4 271 B14R2.6419 NCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100016990496 [2,0,0,0,0,0|2,0,0]=4 272 B14R2.6419 OCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100011933977 [2,0,0,0,0,0|2,0,0]=4 273 B14R2.2497 COc1cc2c(c[nH]c2cn1)SC 62a_200000210301_200010163580 [2,0,0,0,0,0|2,0,0]=4 274 B14R2.2497 COc1cc2c(c[nH]c2cn1)S[13CH3] 62a_200025704644_200010163580 [2,0,0,0,0,0|2,0,0]=4 275 B14R2.2497 COc1ccc2[nH]cc(c2c1)C#N 7a_100000059741_200000210301 [2,0,0,0,0,0|0,0,2]=4 276 B14R2.2497 COc1ccc2[nH]cc(c2n1)SC 62a_200000210301_100010199035 [2,0,0,0,0,0|2,0,0]=4 277 B14R2.2497 COc1ccc2[nH]cc(c2n1)S[13CH3] 62a_200025704644_100010199035 [2,0,0,0,0,0|2,0,0]=4 278 B14R2.2497 COc1ccc2[nH]nc(c2c1)SC 62a_200000210301_100012353730 [2,0,0,0,0,0|2,0,0]=4 279 B14R2.2497 COc1ccc2[nH]nc(c2c1)S[13CH3] 62a_200025704644_100012353730 [2,0,0,0,0,0|2,0,0]=4 280 B14R2.2497 COc1cnc2[nH]cc(c2c1)SC 62a_200000210301_100010199036 [2,0,0,0,0,0|2,0,0]=4 281 B14R2.2497 COc1cnc2[nH]cc(c2c1)S[13CH3] 62a_200025704644_100010199036 [2,0,0,0,0,0|2,0,0]=4 282 B14R2.2497 [13CH3]Oc1ccc2[nH]cc(c2c1)C#N 7a_100000059741_200025704644 [2,0,0,0,0,0|0,0,2]=4 283 B16R1.3 COc1ccc(cc1)NN=CCC(C)SC 4a_100000005221_100000036020 [0,1,1,0,0,0|2,0,0]=4 284 B16R1.4 CCc1ccc(cc1)NC(=O)CCN(C)C 11a_100000211069_100000689311 [0,1,1,0,0,0|1,0,1]=4 285 B16R1.4 CCc1ccc(cc1)NC(=O)CCN(C)C 2230a_100102631434_100000181518 [0,1,1,0,0,0|1,0,1]=4 286 B16R1.4 CCc1ccc(cc1)NC(=O)CCN(C)C 22a_100000211069_100000689311 [0,1,1,0,0,0|1,0,1]=4 287 B16R1.4 CCc1ccc(cc1)NC(=O)CCN(C)C 269982a_100102631434_100000181518 [0,1,1,0,0,0|1,0,1]=4 288 B16R1.4 CCc1ccc(cc1)NC(=O)CCN(C)C 527a_100000211069_100000689311 [0,1,1,0,0,0|1,0,1]=4 289 B16R1.4 COc1ccc(cc1)NC(=O)C=CC(C)C 11a_100000184247_100016268746 [0,1,1,0,0,0|1,0,1]=4 290 B16R1.4 COc1ccc(cc1)NC(=O)C=CC(C)C 1626a_100000184247_100016268746 [0,1,1,0,0,0|1,0,1]=4 291 B16R1.4 COc1ccc(cc1)NC(=O)C=CC(C)C 22a_100000184247_100016268746 [0,1,1,0,0,0|1,0,1]=4 292 B16R1.4 COc1ccc(cc1)NC(=O)CCC(C)C 11a_100000184247_100000181311 [0,1,1,0,0,0|1,0,1]=4 293 B16R1.4 COc1ccc(cc1)NC(=O)CCC(C)C 1626a_100000184247_100000181311 [0,1,1,0,0,0|1,0,1]=4 294 B16R1.4 COc1ccc(cc1)NC(=O)CCC(C)C 22a_100000184247_100000181311 [0,1,1,0,0,0|1,0,1]=4 295 B16R1.4 COc1ccc(cc1)NC(=O)CCC(C)C 527a_100000184247_100000181311 [0,1,1,0,0,0|1,0,1]=4 296 B16R1.4 COc1ccc(cc1)NC(=O)CCN(C)C 11a_100000184247_100000689311 [0,1,1,0,0,0|0,0,1]=3 297 B16R1.4 COc1ccc(cc1)NC(=O)CCN(C)C 2230a_100102631434_100000743215 [0,1,1,0,0,0|0,0,1]=3 298 B16R1.4 COc1ccc(cc1)NC(=O)CCN(C)C 22a_100000184247_100000689311 [0,1,1,0,0,0|0,0,1]=3 299 B16R1.4 COc1ccc(cc1)NC(=O)CCN(C)C 269982a_100102631434_100000743215 [0,1,1,0,0,0|0,0,1]=3 300 B16R1.4 COc1ccc(cc1)NC(=O)CCN(C)C 527a_100000184247_100000689311 [0,1,1,0,0,0|0,0,1]=3 301 B16R1.4 COc1ccc(cc1)NC(=O)CC[S+](C)C 11a_100000184247_100009452791 [0,1,1,0,0,0|1,0,1]=4 302 B16R1.4 COc1ccc(cc1)NC(=O)CC[S+](C)C 1626a_100000184247_100009452791 [0,1,1,0,0,0|1,0,1]=4 303 B16R1.4 COc1ccc(cc1)NC(=O)CC[S+](C)C 22a_100000184247_100009452791 [0,1,1,0,0,0|1,0,1]=4 304 B16R1.4 COc1ccc(cc1)NC(=O)NCC(C)C 2430a_100000184247_100000210953 [0,1,1,0,0,0|2,0,0]=4 305 B16R1.4 CSc1ccc(cc1)NC(=O)CCN(C)C 11a_100000212337_100000689311 [0,1,1,0,0,0|0,1,1]=4 306 B16R1.4 CSc1ccc(cc1)NC(=O)CCN(C)C 22a_100000212337_100000689311 [0,1,1,0,0,0|0,1,1]=4 307 B16R1.4 CSc1ccc(cc1)NC(=O)CCN(C)C 527a_100000212337_100000689311 [0,1,1,0,0,0|0,1,1]=4 308 B16R1.14 CCOc1ccc(cc1)NN=CCC(C)C 4a_100000738955_100000185833 [0,1,1,0,0,0|2,0,0]=4 309 B16R1.195 COc1ccc(cc1)NN=CCC(C)(C)C 4a_100000005221_100000750564 [0,1,1,0,0,0|2,0,0]=4 310 B16R1.202 CCc1ccc(cc1)NNC(=O)CN(C)C 22a_100015204395_100000750896 [0,1,1,0,0,0|2,0,0]=4 311 B16R1.202 COc1ccc(cc1)C=CC(=O)CC(C)C 1458a_100000184205_100000210624 [0,1,1,0,0,0|2,0,0]=4 312 B16R1.202 COc1ccc(cc1)CCC(=O)CN(C)C 1458a_100000750896_100000184700 [0,1,1,0,0,0|1,0,1]=4 313 B16R1.202 COc1ccc(cc1)CNC(=O)CN(C)C 11a_100000185587_100000750896 [0,1,1,0,0,0|2,0,0]=4 314 B16R1.202 COc1ccc(cc1)CNC(=O)CN(C)C 2230a_100102631434_100000183506 [0,1,1,0,0,0|2,0,0]=4 315 B16R1.202 COc1ccc(cc1)CNC(=O)CN(C)C 240690a_100000185587_100000750896 [0,1,1,0,0,0|2,0,0]=4 316 B16R1.202 COc1ccc(cc1)CNC(=O)CN(C)C 269982a_100102631434_100000183506 [0,1,1,0,0,0|2,0,0]=4 317 B16R1.202 COc1ccc(cc1)CNC(=O)CN(C)C 527a_100000185587_100000750896 [0,1,1,0,0,0|2,0,0]=4 318 B16R1.202 COc1ccc(cc1)NNC(=O)CC(C)C 22a_100000005221_100000210554 [0,1,1,0,0,0|2,0,0]=4 319 B16R1.202 COc1ccc(cc1)NNC(=O)CN(C)C 22a_100000005221_100000750896 [0,1,1,0,0,0|1,0,0]=3 320 B16R1.202 COc1ccc(cc1)NNC(=O)C[S+](C)C 22a_100000005221_200159257847 [0,1,1,0,0,0|2,0,0]=4 321 B16R1.202 COc1ccc(cn1)NNC(=O)CN(C)C 22a_100102564821_100000750896 [0,1,1,0,0,0|2,0,0]=4 322 B16R1.202 CSc1ccc(cc1)NNC(=O)CN(C)C 22a_100000006515_100000750896 [0,1,1,0,0,0|1,1,0]=4 323 B16R1.214 COc1ccc(cc1)N(C)CCCN(C)C 269982a_100000220023_100000757444 [0,1,1,0,0,0|0,0,2]=4 324 B16R1.4295 COc1ccc(cc1C)NCCCN(C)C 7a_100000743268_100000757444 [0,1,1,0,0,0|0,0,2]=4 325 B16R1.4295 COc1ccc(cc1Cl)NN=CCC(C)C 4a_100000699481_100000185833 [0,1,1,0,0,0|2,0,0]=4 326 B16R1.5636 COc1ccc(c(c1)C)NN=CCC(C)C 4a_115082355441_100000185833 [0,1,1,0,0,0|2,0,0]=4 327 B16R1.5636 COc1ccc(c(c1)F)NN=CCC(C)C 4a_100015191252_100000185833 [0,1,1,0,0,0|2,0,0]=4 328 B16R1.20027 COc1cc(c(cc1O)F)C(=O)CN(C)C 269982a_100102631434_100010235139 [0,1,1,0,0,0|2,0,0]=4 329 B16R1.20229 COc1ccc(c(c1)C(=O)CN(C)C)OC 269982a_100102631434_100000181217 [0,1,1,0,0,0|2,0,0]=4 330 B16R1.20230 CCN(C)CC(=O)c1cc(ccc1O)OC 269982a_100000225621_100010402061 [0,1,1,0,0,0|2,0,0]=4 331 B16R2.12021 CN(C)Cc1c(sc2c1cc(cc2)Cl)Br 270004a_100102631434_100000708962 [1,1,0,0,0,0|2,0,0]=4 332 B16R2.13690 CN(C)Cc1n[nH]c2c1cc(c(c2)Cl)Br 270004a_100102631434_100021507558 [1,1,0,0,0,0|2,0,0]=4 333 B16R2.45232 Cc1cc(c2ncc(n2c1)CN(C)C)Br 270004a_100102631434_200010232102 [1,1,0,0,0,0|1,0,1]=4 334 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_100000210202 [1,1,0,0,0,0|2,0,0]=4 335 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000210202 [1,1,0,0,0,0|2,0,0]=4 336 B16R2.176359 CCN(C)Cc1csc2c1cc(cc2)Cl 2230a_100000225621_100009814428 [1,1,0,0,0,0|2,0,0]=4 337 B16R2.176359 CCN(C)Cc1csc2c1cc(cc2)Cl 269982a_100000225621_100009814428 [1,1,0,0,0,0|2,0,0]=4 338 B16R2.176359 CCN(C)Cc1csc2c1cc(cc2)F 2230a_100000225621_100010109839 [1,1,0,0,0,0|2,0,0]=4 339 B16R2.176359 CCN(C)Cc1csc2c1cc(cc2)F 269982a_100000225621_100010109839 [1,1,0,0,0,0|2,0,0]=4 340 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C 240690a_100102657272_100102525273 [1,1,0,0,0,0|2,0,0]=4 341 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C 527a_100102657272_100102525273 [1,1,0,0,0,0|2,0,0]=4 342 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 11a_106832991635_100000031536 [1,1,0,0,0,0|2,0,0]=4 343 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 240690a_100102657272_100000031536 [1,1,0,0,0,0|2,0,0]=4 344 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 527a_100102657272_100000031536 [1,1,0,0,0,0|2,0,0]=4 345 B16R2.176359 Cc1ccc2[nH]cc(c2c1)CC(=O)CF 1458a_100102525273_100015361967 [1,1,0,0,0,0|2,0,0]=4 346 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100015361967 [1,1,0,0,0,0|2,0,0]=4 347 B16R2.17105 CCOc1ccc2[nH]cc(c2c1)CCO 34a_100000074132_100000210202 [1,1,0,0,0,0|2,0,0]=4 348 B16R2.17105 CCOc1ccc2[nH]cc(c2c1)CNC 270004a_106832991635_100102524904 [1,1,0,0,0,0|0,0,0]=2 349 B16R2.17105 OCCc1c[nH]c2c1cc(cc2)OCF 34a_100000074132_100015361967 [1,1,0,0,0,0|2,0,0]=4 350 B16R2.113583 COCc1cn(c2c1cc(cc2)OC)C 34a_100000077082_200000210301 [1,1,0,0,0,0|1,0,0]=3 351 B16R2.113583 COc1ccc2c(c1)c(cn2C)CO[13CH3] 34a_100000077082_200025704644 [1,1,0,0,0,0|1,0,0]=3 352 B16R2.163638 CCCCc1c[nH]c2c1cc(cn2)OC 271570a_100020621405_100010199036 [1,1,0,0,0,0|2,0,0]=4 353 B16R2.163638 CCCCc1c[nH]c2c1cc(nc2)OC 271570a_100020621405_200010163580 [1,1,0,0,0,0|2,0,0]=4 354 B16R2.163638 CCCCc1c[nH]c2c1nc(cc2)OC 271570a_100020621405_100010199035 [1,1,0,0,0,0|2,0,0]=4 355 B16R2.163638 CCCCc1n[nH]c2c1cc(cc2)OC 271570a_100020621405_100012353730 [1,1,0,0,0,0|2,0,0]=4 356 B16R2.163638 CCCSc1c[nH]c2c1cc(cn2)OC 62a_100000210303_100010199036 [1,1,0,0,0,0|2,0,0]=4 357 B16R2.163638 CCCSc1c[nH]c2c1cc(nc2)OC 62a_100000210303_200010163580 [1,1,0,0,0,0|2,0,0]=4 358 B16R2.163638 CCCSc1c[nH]c2c1nc(cc2)OC 62a_100000210303_100010199035 [1,1,0,0,0,0|2,0,0]=4 359 B16R2.163638 CCCSc1n[nH]c2c1cc(cc2)OC 62a_100000210303_100012353730 [1,1,0,0,0,0|2,0,0]=4 360 B16R2.163638 CCNCc1c[nH]c2c1cc(cc2)OC 270004a_100015525214_100000748866 [1,1,0,0,0,0|0,0,0]=2 361 B16R2.163638 CCNCc1n[nH]c2c1cc(cc2)OC 207a_100015525214_100000084273 [1,1,0,0,0,0|1,0,0]=3 362 B16R2.163638 CCNCc1n[nH]c2c1cc(cc2)OC 270004a_100015525214_100000084273 [1,1,0,0,0,0|1,0,0]=3 363 B16R2.163638 CNCCc1c[nH]c2c1cc(cc2)OC 2230a_100000755253_200000210301 [1,1,0,0,0,0|0,0,0]=2 364 B16R2.163638 COCCc1c[nH]c2c1cc(cc2)OC 34a_200011933912_200000210301 [1,1,0,0,0,0|1,0,0]=3 365 B16R2.163638 COCSc1c[nH]c2c1cc(cn2)OC 62a_100000766300_100010199036 [1,1,0,0,0,0|2,0,0]=4 366 B16R2.163638 COCSc1c[nH]c2c1cc(nc2)OC 62a_100000766300_200010163580 [1,1,0,0,0,0|2,0,0]=4 367 B16R2.163638 COCSc1c[nH]c2c1nc(cc2)OC 62a_100000766300_100010199035 [1,1,0,0,0,0|2,0,0]=4 368 B16R2.163638 COCSc1n[nH]c2c1cc(cc2)OC 62a_100000766300_100012353730 [1,1,0,0,0,0|2,0,0]=4 369 B16R2.163638 COc1cc2c(c[nH]c2cn1)SCSC 62a_100011218213_200010163580 [1,1,0,0,0,0|2,0,0]=4 370 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000755253_200025704644 [1,1,0,0,0,0|0,0,0]=2 371 B16R2.163638 COc1ccc2[nH]cc(c2c1)CCO[13CH3] 34a_200011933912_200025704644 [1,1,0,0,0,0|1,0,0]=3 372 B16R2.163638 COc1ccc2[nH]cc(c2n1)SCSC 62a_100011218213_100010199035 [1,1,0,0,0,0|2,0,0]=4 373 B16R2.163638 COc1ccc2[nH]nc(c2c1)SCSC 62a_100011218213_100012353730 [1,1,0,0,0,0|2,0,0]=4 374 B16R2.163638 COc1cnc2[nH]cc(c2c1)SCSC 62a_100011218213_100010199036 [1,1,0,0,0,0|2,0,0]=4 375 B16R2.163638 CSc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_200000210301 [1,1,0,0,0,0|1,1,0]=4 376 B16R2.163638 CSc1ccc2[nH]cc(c2c1)CCCO 62a_200000210301_100102583652 [1,1,0,0,0,0|1,1,0]=4 377 B16R2.163638 [13CH3]Sc1ccc2[nH]cc(c2c1)CCCO 62a_100102583652_200025704644 [1,1,0,0,0,0|1,1,0]=4 378 B16R2.163638 [13CH3]Sc1ccc2[nH]cc(c2c1)CCCO 62a_200025704644_100102583652 [1,1,0,0,0,0|1,1,0]=4 379 B16R2.17102 CC(C)c1c[nH]c2c1cc(cc2)SCF 62a_100015361967_100014147963 [0,1,0,0,1,0|1,1,0]=4 380 B16R2.17102 CC=Cc1ccc2[nH]cc(c2c1)C(C)C 271570a_100016259895_100014147963 [0,1,0,0,1,0|2,0,0]=4 381 B16R2.17102 CCSc1ccc2[nH]cc(c2c1)C(C)C 62a_100000210202_100014147963 [0,1,0,0,1,0|1,1,0]=4 382 B16R2.143127 C=C(C)c1ccc2[nH]cc(c2c1)C(C)C 271570a_100000694244_100014147963 [0,1,0,0,1,0|2,0,0]=4 383 B18R2.18054 CCc1ccc2occ(c(=O)c2c1)CN(C)C 270004a_100102631434_200000021348 [0,1,0,0,0,1|2,0,0]=4 384 B18R2.18054 COc1ccc2occ(c(=O)c2c1)CN(C)C 270004a_100102631434_100000010186 [0,1,0,0,0,1|1,0,0]=3 385 B18R2.789283 COc1ccc2[nH]c(=O)c(cc2c1)CN(C)C 270004a_100102631434_100000015449 [0,1,0,0,0,1|0,0,0]=2 386 B18R2.111790 COc1ccc2c(ccc(c2n1)CN(C)C)Br 270004a_100102631434_100010291847 [0,1,0,0,0,1|2,0,0]=4 387 B18R2.862975 CCc1ccc2oc(=O)cc(c2c1)CN(C)C 2230a_100102631434_100000068008 [0,1,0,0,0,1|2,0,0]=4 388 B18R2.862975 CCc1ccc2oc(=O)cc(c2c1)CN(C)C 269982a_100102631434_100000068008 [0,1,0,0,0,1|2,0,0]=4 389 B18R2.120969 COc1cc2c(c[nH]c2cn1)[C@@H](N)CC(C)C 271570a_100015190218_200010163580 [0,1,0,0,0,1|2,0,0]=4 390 B18R2.120969 COc1ccc2[nH]cc(c2n1)[C@@H](N)CC(C)C 271570a_100015190218_100010199035 [0,1,0,0,0,1|2,0,0]=4 391 B18R2.120969 COc1ccc2[nH]nc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100012353730 [0,1,0,0,0,1|2,0,0]=4 392 B18R2.120969 COc1cnc2[nH]cc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010199036 [0,1,0,0,0,1|2,0,0]=4 393 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)C(C)C 1458a_100000049097_100000210206 [0,1,0,0,0,1|2,0,0]=4 394 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 11a_100102631434_100000049097 [0,1,0,0,0,1|1,0,0]=3 395 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000049097 [0,1,0,0,0,1|1,0,0]=3 396 B18R2.120970 CCc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 527a_100102631434_100000049097 [0,1,0,0,0,1|1,0,0]=3 397 B18R2.120970 COc1ccc2[nH]cc(c2c1)CC(=O)C(C)C 1458a_100000739362_100000210206 [0,1,0,0,0,1|1,0,0]=3 398 B18R2.120970 COc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000739362 [0,1,0,0,0,1|0,0,0]=2 399 B18R2.120970 COc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 527a_100102631434_100000739362 [0,1,0,0,0,1|0,0,0]=2 400 B18R2.120970 COc1ccc2[nH]cc(c2c1)CN(C)C(C)C 270004a_200000211004_100000748866 [0,1,0,0,0,1|1,0,0]=3 401 B18R2.120970 COc1ccc2[nH]nc(c2c1)CN(C)C(C)C 270004a_200000211004_100000084273 [0,1,0,0,0,1|2,0,0]=4 402 B18R2.120972 C#CC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000707721_100000748866 [0,1,0,0,0,1|1,0,1]=4 403 B18R2.120972 CCC(=O)CCc1c[nH]c2c1cc(cc2)OC 1458a_100010000191_100000210202 [0,1,0,0,0,1|2,0,0]=4 404 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 11a_100000084035_100000210414 [0,1,0,0,0,1|2,0,0]=4 405 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 240690a_100000084035_100000210414 [0,1,0,0,0,1|2,0,0]=4 406 B18R2.120972 CCC(=O)NCc1c[nH]c2c1cc(cc2)OC 527a_100000084035_100000210414 [0,1,0,0,0,1|2,0,0]=4 407 B18R2.120972 CCC(C)CSc1c[nH]c2c1cc(cn2)OC 62a_100000748023_100010199036 [0,1,0,0,0,1|2,0,0]=4 408 B18R2.120972 CCC(C)CSc1c[nH]c2c1cc(nc2)OC 62a_100000748023_200010163580 [0,1,0,0,0,1|2,0,0]=4 409 B18R2.120972 CCC(C)CSc1c[nH]c2c1nc(cc2)OC 62a_100000748023_100010199035 [0,1,0,0,0,1|2,0,0]=4 410 B18R2.120972 CCC(C)CSc1n[nH]c2c1cc(cc2)OC 62a_100000748023_100012353730 [0,1,0,0,0,1|2,0,0]=4 411 B18R2.120972 CCC(C)NCc1c[nH]c2c1cc(cc2)OC 270004a_100000209981_100000748866 [0,1,0,0,0,1|1,0,0]=3 412 B18R2.120972 CCC(C)NCc1n[nH]c2c1cc(cc2)OC 207a_100000209981_100000084273 [0,1,0,0,0,1|2,0,0]=4 413 B18R2.120972 CCC(C)NCc1n[nH]c2c1cc(cc2)OC 270004a_100000209981_100000084273 [0,1,0,0,0,1|2,0,0]=4 414 B18R2.120972 CC[C@H](C)CSc1c[nH]c2c1cc(cn2)OC 62a_100009816398_100010199036 [0,1,0,0,0,1|2,0,0]=4 415 B18R2.120972 CC[C@H](C)CSc1c[nH]c2c1cc(nc2)OC 62a_100009816398_200010163580 [0,1,0,0,0,1|2,0,0]=4 416 B18R2.120972 CC[C@H](C)CSc1c[nH]c2c1nc(cc2)OC 62a_100009816398_100010199035 [0,1,0,0,0,1|2,0,0]=4 417 B18R2.120972 CC[C@H](C)CSc1n[nH]c2c1cc(cc2)OC 62a_100009816398_100012353730 [0,1,0,0,0,1|2,0,0]=4 418 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 11a_106832991635_100010000191 [0,1,0,0,0,1|2,0,0]=4 419 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 240690a_100102657272_100010000191 [0,1,0,0,0,1|2,0,0]=4 420 B18R2.120972 CNC(=O)CCc1c[nH]c2c1cc(cc2)OC 527a_100102657272_100010000191 [0,1,0,0,0,1|2,0,0]=4 421 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100000084035_106832991635 [0,1,0,0,0,1|2,0,0]=4 422 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 2708a_100102657272_100000084035 [0,1,0,0,0,1|2,0,0]=4 423 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 273464a_100102657272_100000084035 [0,1,0,0,0,1|2,0,0]=4 424 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_100000084035_100102657272 [0,1,0,0,0,1|2,0,0]=4 425 B18R2.120972 CNC(=O)NCc1c[nH]c2c1cc(cc2)OC 512a_106832991638_100000084035 [0,1,0,0,0,1|2,0,0]=4 426 B18R2.120972 COc1cc2c(c[nH]c2cn1)SC[C@@H](C)CO 62a_100000059175_200010163580 [0,1,0,0,0,1|2,0,0]=4 427 B18R2.120972 COc1ccc2[nH]cc(c2c1)CCC(=O)CF 1458a_100010000191_100015361967 [0,1,0,0,0,1|2,0,0]=4 428 B18R2.120972 COc1ccc2[nH]cc(c2c1)CNC(=O)CO 240690a_100000084035_100000210174 [0,1,0,0,0,1|2,0,0]=4 429 B18R2.120972 COc1ccc2[nH]cc(c2c1)CNC(=O)CO 527a_100000084035_100000210174 [0,1,0,0,0,1|2,0,0]=4 430 B18R2.120972 COc1ccc2[nH]cc(c2c1)CN[C@H](C)CF 270004a_100102880703_100000748866 [0,1,0,0,0,1|1,0,0]=3 431 B18R2.120972 COc1ccc2[nH]cc(c2c1)CN[C@H](C)CO 270004a_100000737577_100000748866 [0,1,0,0,0,1|1,0,0]=3 432 B18R2.120972 COc1ccc2[nH]cc(c2n1)SC[C@@H](C)CO 62a_100000059175_100010199035 [0,1,0,0,0,1|2,0,0]=4 433 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CF 207a_100102880703_100000084273 [0,1,0,0,0,1|2,0,0]=4 434 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CF 270004a_100102880703_100000084273 [0,1,0,0,0,1|2,0,0]=4 435 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CO 207a_100000737577_100000084273 [0,1,0,0,0,1|2,0,0]=4 436 B18R2.120972 COc1ccc2[nH]nc(c2c1)CN[C@H](C)CO 270004a_100000737577_100000084273 [0,1,0,0,0,1|2,0,0]=4 437 B18R2.120972 COc1ccc2[nH]nc(c2c1)SC[C@@H](C)CO 62a_100000059175_100012353730 [0,1,0,0,0,1|2,0,0]=4 438 B18R2.120972 COc1cnc2[nH]cc(c2c1)SC[C@@H](C)CO 62a_100000059175_100010199036 [0,1,0,0,0,1|2,0,0]=4 439 B18R2.173884 COc1ccc2c(c1)C(=NNC(C)C)C(=O)N2 4a_100000741168_100000183588 [0,1,0,0,0,1|2,0,0]=4 440 B18R2.820545 COc1ccc2c(c1)c(cn2C)COC(C)C 34a_100000077082_100000210206 [0,1,0,0,0,1|1,0,0]=3 441 B18R2.820545 COc1ccc2c(c1)c(nn2C)SCC(C)C 62a_100000210624_100010988832 [0,1,0,0,0,1|2,0,0]=4 442 B18R2.867030 COc1cc2c(c[nH]c2cn1)SCC(C)(C)C 62a_100011219605_200010163580 [0,1,0,0,0,1|2,0,0]=4 443 B18R2.867030 COc1cc2c(c[nH]c2cn1)SCC(C)(C)F 62a_100011997219_200010163580 [0,1,0,0,0,1|2,0,0]=4 444 B18R2.867030 COc1cc2c(c[nH]c2cn1)SCC(C)(C)O 62a_100000764493_200010163580 [0,1,0,0,0,1|2,0,0]=4 445 B18R2.867030 COc1cc2c(c[nH]c2cn1)SC[N+](C)(C)C 62a_200000036245_200010163580 [0,1,0,0,0,1|1,0,1]=4 446 B18R2.867030 COc1cc2c(c[nH]c2cn1)SC[Si](C)(C)C 62a_100000037933_200010163580 [0,1,0,0,0,1|2,0,0]=4 447 B18R2.867030 COc1ccc2[nH]cc(c2c1)CNS(=O)(=O)C 40a_100000084035_100000738038 [0,1,0,0,0,1|2,0,0]=4 448 B18R2.867030 COc1ccc2[nH]cc(c2n1)SCC(C)(C)C 62a_100011219605_100010199035 [0,1,0,0,0,1|2,0,0]=4 449 B18R2.867030 COc1ccc2[nH]cc(c2n1)SCC(C)(C)F 62a_100011997219_100010199035 [0,1,0,0,0,1|2,0,0]=4 450 B18R2.867030 COc1ccc2[nH]cc(c2n1)SCC(C)(C)O 62a_100000764493_100010199035 [0,1,0,0,0,1|2,0,0]=4 451 B18R2.867030 COc1ccc2[nH]cc(c2n1)SC[N+](C)(C)C 62a_200000036245_100010199035 [0,1,0,0,0,1|1,0,1]=4 452 B18R2.867030 COc1ccc2[nH]cc(c2n1)SC[Si](C)(C)C 62a_100000037933_100010199035 [0,1,0,0,0,1|2,0,0]=4 453 B18R2.867030 COc1ccc2[nH]nc(c2c1)CNC(C)(C)C 207a_100000715429_100000084273 [0,1,0,0,0,1|2,0,0]=4 454 B18R2.867030 COc1ccc2[nH]nc(c2c1)SCC(C)(C)C 62a_100011219605_100012353730 [0,1,0,0,0,1|2,0,0]=4 455 B18R2.867030 COc1ccc2[nH]nc(c2c1)SCC(C)(C)F 62a_100011997219_100012353730 [0,1,0,0,0,1|2,0,0]=4 456 B18R2.867030 COc1ccc2[nH]nc(c2c1)SCC(C)(C)O 62a_100000764493_100012353730 [0,1,0,0,0,1|2,0,0]=4 457 B18R2.867030 COc1ccc2[nH]nc(c2c1)SC[N+](C)(C)C 62a_200000036245_100012353730 [0,1,0,0,0,1|1,0,1]=4 458 B18R2.867030 COc1ccc2[nH]nc(c2c1)SC[Si](C)(C)C 62a_100000037933_100012353730 [0,1,0,0,0,1|2,0,0]=4 459 B18R2.867030 COc1cnc2[nH]cc(c2c1)SCC(C)(C)C 62a_100011219605_100010199036 [0,1,0,0,0,1|2,0,0]=4 460 B18R2.867030 COc1cnc2[nH]cc(c2c1)SCC(C)(C)F 62a_100011997219_100010199036 [0,1,0,0,0,1|2,0,0]=4 461 B18R2.867030 COc1cnc2[nH]cc(c2c1)SCC(C)(C)O 62a_100000764493_100010199036 [0,1,0,0,0,1|2,0,0]=4 462 B18R2.867030 COc1cnc2[nH]cc(c2c1)SC[N+](C)(C)C 62a_200000036245_100010199036 [0,1,0,0,0,1|1,0,1]=4 463 B18R2.867030 COc1cnc2[nH]cc(c2c1)SC[Si](C)(C)C 62a_100000037933_100010199036 [0,1,0,0,0,1|2,0,0]=4 464 B18R2.173750 CCC(=O)Cc1c([nH]c2c1cc(cc2)OC)C 1458a_100000032111_100000210202 [0,2,0,0,0,0|2,0,0]=4 465 B18R2.173750 CNC(=O)Cc1c([nH]c2c1cc(cc2)OC)C 11a_106832991635_100000032111 [0,2,0,0,0,0|2,0,0]=4 466 B18R2.173750 CNC(=O)Cc1c([nH]c2c1cc(cc2)OC)C 240690a_100102657272_100000032111 [0,2,0,0,0,0|2,0,0]=4 467 B18R2.173750 CNC(=O)Cc1c([nH]c2c1cc(cc2)OC)C 527a_100102657272_100000032111 [0,2,0,0,0,0|2,0,0]=4 468 B18R2.173750 COc1ccc2[nH]c(c(c2c1)CC(=O)CF)C 1458a_100000032111_100015361967 [0,2,0,0,0,0|2,0,0]=4 469 B18R2.84470 C#CCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000038162_100000728258 [0,2,0,0,0,0|0,1,0]=3 470 B18R2.84470 C#CCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000038162_200010174824 [0,2,0,0,0,0|1,1,0]=4 471 B18R2.84470 C=CCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000210623_100000728258 [0,2,0,0,0,0|0,1,0]=3 472 B18R2.84470 C=CCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000210623_200010174824 [0,2,0,0,0,0|1,1,0]=4 473 B18R2.84470 CCCCc1ccc2[nH]cc(c2c1)CN(C)C 271570a_100020621405_100000728258 [0,2,0,0,0,0|1,0,0]=3 474 B18R2.84470 CCCCc1cnc2[nH]cc(c2c1)CN(C)C 271570a_100020621405_200010174824 [0,2,0,0,0,0|2,0,0]=4 475 B18R2.84470 CCCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000210303_100000728258 [0,2,0,0,0,0|0,1,0]=3 476 B18R2.84470 CCCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000210303_200010174824 [0,2,0,0,0,0|1,1,0]=4 477 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cc2)SCC#N 62a_100011215382_100000728258 [0,2,0,0,0,0|0,1,0]=3 478 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cc2)SCC=O 62a_200015260668_100000728258 [0,2,0,0,0,0|0,1,0]=3 479 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cc2)SCCF 62a_100011217306_100000728258 [0,2,0,0,0,0|0,1,0]=3 480 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cc2)SCCO 62a_100000211926_100000728258 [0,2,0,0,0,0|0,1,0]=3 481 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cn2)SCC#N 62a_100011215382_200010174824 [0,2,0,0,0,0|1,1,0]=4 482 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cn2)SCC=O 62a_200015260668_200010174824 [0,2,0,0,0,0|1,1,0]=4 483 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cn2)SCCF 62a_100011217306_200010174824 [0,2,0,0,0,0|1,1,0]=4 484 B18R2.84470 CN(C)Cc1c[nH]c2c1cc(cn2)SCCO 62a_100000211926_200010174824 [0,2,0,0,0,0|1,1,0]=4 485 B18R2.84470 COCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000766300_100000728258 [0,2,0,0,0,0|0,0,0]=2 486 B18R2.84470 COCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000766300_200010174824 [0,2,0,0,0,0|1,0,0]=3 487 B18R2.84470 CSCSc1ccc2[nH]cc(c2c1)CN(C)C 62a_100011218213_100000728258 [0,2,0,0,0,0|0,1,0]=3 488 B18R2.84470 CSCSc1cnc2[nH]cc(c2c1)CN(C)C 62a_100011218213_200010174824 [0,2,0,0,0,0|1,1,0]=4 489 B18R2.564753 CC(=Cc1ccc2[nH]cc(c2c1)CN(C)C)C 271570a_100102525489_100000728258 [0,2,0,0,0,0|1,0,0]=3 490 B18R2.564753 CC(=Cc1cnc2[nH]cc(c2c1)CN(C)C)C 271570a_100102525489_200010174824 [0,2,0,0,0,0|2,0,0]=4 491 B18R2.564753 CC(C)Sc1ccc2[nH]cc(c2c1)CN(C)C 62a_100000210206_100000728258 [0,2,0,0,0,0|0,1,0]=3 492 B18R2.564753 CC(C)Sc1cnc2[nH]cc(c2c1)CN(C)C 62a_100000210206_200010174824 [0,2,0,0,0,0|1,1,0]=4 493 B18R2.690454 COC(=O)c1ccc2[nH]cc(c2c1)C=C(C)C 271570a_100102525489_100010163954 [0,2,0,0,0,0|1,0,1]=4 494 B18R2.690454 COC(=O)c1ccc2[nH]cc(c2c1)SC(C)C 62a_100000210206_100010163954 [0,2,0,0,0,0|2,0,0]=4 495 B18R2.120973 CCN(CC)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000724800_100000748866 [0,2,0,0,0,0|0,0,0]=2 496 B18R2.120973 CCN(CC)Cc1n[nH]c2c1cc(cc2)OC 270004a_100000724800_100000084273 [0,2,0,0,0,0|1,0,0]=3 497 B18R2.2201742 C#CCC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000184674 [0,2,0,0,0,0|2,0,0]=4 498 B18R2.2201742 C#CCN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000225692_100000748866 [0,2,0,0,0,0|0,0,0]=2 499 B18R2.2201742 C#CCN(C)Cc1n[nH]c2c1cc(cc2)OC 270004a_100000225692_100000084273 [0,2,0,0,0,0|1,0,0]=3 500 B18R2.2201742 C=CCC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000210623 [0,2,0,0,0,0|2,0,0]=4 501 B18R2.2201742 C=CCN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000225617_100000748866 [0,2,0,0,0,0|0,0,0]=2 502 B18R2.2201742 C=CCN(C)Cc1n[nH]c2c1cc(cc2)OC 270004a_100000225617_100000084273 [0,2,0,0,0,0|1,0,0]=3 503 B18R2.2201742 CCCC(=O)Cc1c[nH]c2c1cc(cc2)OC 1458a_100000739362_100000210303 [0,2,0,0,0,0|2,0,0]=4 504 B18R2.2201742 CCCN(C)Cc1c[nH]c2c1cc(cc2)OC 270004a_100000747261_100000748866 [0,2,0,0,0,0|0,0,0]=2 505 B18R2.2201742 CCCN(C)Cc1n[nH]c2c1cc(cc2)OC 270004a_100000747261_100000084273 [0,2,0,0,0,0|1,0,0]=3 506 B18R2.2201742 CCNC(=O)Cc1c[nH]c2c1cc(cc2)OC 240690a_100015525214_100000739362 [0,2,0,0,0,0|2,0,0]=4 507 B18R2.2201742 CCNC(=O)Cc1c[nH]c2c1cc(cc2)OC 527a_100015525214_100000739362 [0,2,0,0,0,0|2,0,0]=4 508 B18R2.2201742 CNNC(=O)Cc1c[nH]c2c1cc(cc2)OC 22a_100016993582_100000739362 [0,2,0,0,0,0|2,0,0]=4 509 B18R2.2201742 COc1ccc2[nH]cc(c2c1)CC(=O)CC#N 1458a_100000739362_100011214920 [0,2,0,0,0,0|2,0,0]=4 510 B18R2.2201742 COc1ccc2[nH]cc(c2c1)CC(=O)CCF 1458a_100000739362_100011217306 [0,2,0,0,0,0|2,0,0]=4 511 B18R2.2201742 COc1ccc2[nH]cc(c2c1)CC(=O)CCO 1458a_100000739362_100000211926 [0,2,0,0,0,0|2,0,0]=4 512 B18R2.2201742 COc1ccc2[nH]cc(c2c1)CN(C)CCO 270004a_100000210263_100000748866 [0,2,0,0,0,0|0,0,0]=2 513 B18R2.2201742 COc1ccc2[nH]nc(c2c1)CN(C)CCO 270004a_100000210263_100000084273 [0,2,0,0,0,0|1,0,0]=3 514 B18R2.1903965 CN(C)Cc1c[nH]c2c1cc(cc2)C(C)(C)C 270004a_100102631434_100000731971 [0,2,0,0,0,0|1,0,0]=3 515 B16R2.7639 COc1ccc2nccc(c2c1)N(C)C 27a_100102631434_100011310462 [0,0,1,1,0,0|0,0,2]=4 516 B16R2.2418 COc1cccc(c1)c2cn(nc2N)C 271570a_100000751105_100010776223 [0,0,1,1,0,0|1,0,1]=4 517 B16R2.36785 COc1cccc2c1[nH]cc2CN(C)C 270004a_100102631434_100000079578 [0,0,1,1,0,0|0,0,0]=2 518 B16R2.7607 COc1ccc2[nH]c(cc2c1)CN(C)C 270004a_100102631434_100000050983 [0,0,1,1,0,0|2,0,0]=4 519 B16R2.7607 COc1ccc2cc(oc2c1)CN(C)C 270004a_100102631434_200009862828 [0,0,1,1,0,0|2,0,0]=4 520 B16R2.7607 COc1ccc2cc(sc2c1)CN(C)C 270004a_100102631434_100000101954 [0,0,1,1,0,0|2,0,0]=4 521 B16R2.7607 COc1ccc2oc(cc2c1)CN(C)C 270004a_100102631434_100000755921 [0,0,1,1,0,0|2,0,0]=4 522 B16R2.7607 COc1ccc2sc(cc2c1)CN(C)C 270004a_100102631434_100000101953 [0,0,1,1,0,0|2,0,0]=4 523 B16R2.2511 COc1ccc(c(c1)c2ccn(c2)C)N 271570a_100010172022_100015195136 [0,0,1,1,0,0|0,0,2]=4 524 B16R2.2511 COc1ccc(c(c1)c2ccn(n2)C)N 271570a_100010713012_100000752436 [0,0,1,1,0,0|1,0,1]=4 525 B16R2.2511 COc1ccc(c(c1)c2ccn(n2)C)N 271570a_100012348833_100015195136 [0,0,1,1,0,0|1,0,1]=4 526 B16R2.2511 COc1ccc(c(c1)c2cnn(c2)C)N 271570a_100000685319_100015195136 [0,0,1,1,0,0|1,0,1]=4 527 B16R2.2511 COc1ccc(c(c1)c2cnn(c2)C)N 271570a_100010713012_100000748075 [0,0,1,1,0,0|1,0,1]=4 528 B16R2.2511 COc1ccc(c(c1)c2cnn(n2)C)N 271570a_100010713012_100000733932 [0,0,1,1,0,0|2,0,0]=4 529 B16R2.36582 COc1cccc2c1cc([nH]2)CN(C)C 270004a_100102631434_100009884150 [0,0,1,1,0,0|2,0,0]=4 530 B16R2.39174 COc1ccc(c2c1cc[nH]2)C=C(C)C 271570a_100102525489_100010138376 [0,0,1,1,0,0|1,0,1]=4 531 B16R3.49439 COc1cc2c(c[nH]c2cn1)C3CC3 271570a_100011220607_200010163580 [1,0,0,1,0,0|2,0,0]=4 532 B16R3.49439 COc1ccc2[nH]cc(c2n1)C3CC3 271570a_100011220607_100010199035 [1,0,0,1,0,0|2,0,0]=4 533 B16R3.49439 COc1ccc2[nH]nc(c2c1)C3CC3 271570a_100011220607_100012353730 [1,0,0,1,0,0|2,0,0]=4 534 B16R3.49439 COc1cnc2[nH]cc(c2c1)C3CC3 271570a_100011220607_100010199036 [1,0,0,1,0,0|2,0,0]=4 535 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 2230a_100015313494_200000210301 [0,0,0,1,0,1|0,0,0]=2 536 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)C 269982a_100015313494_200000210301 [0,0,0,1,0,1|0,0,0]=2 537 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 2230a_100015313494_200025704644 [0,0,0,1,0,1|0,0,0]=2 538 B18R3.172984 COc1ccc2[nH]c3c(c2c1)CCN(C3)[13CH3] 269982a_100015313494_200025704644 [0,0,0,1,0,1|0,0,0]=2 539 B18R3.174956 COc1cc2c(c[nH]c2cn1)SCC3CC3 62a_100000756562_200010163580 [0,0,0,1,0,1|2,0,0]=4 540 B18R3.174956 COc1ccc2[nH]cc(c2n1)SCC3CC3 62a_100000756562_100010199035 [0,0,0,1,0,1|2,0,0]=4 541 B18R3.174956 COc1ccc2[nH]nc(c2c1)SCC3CC3 62a_100000756562_100012353730 [0,0,0,1,0,1|2,0,0]=4 542 B18R3.174956 COc1cnc2[nH]cc(c2c1)SCC3CC3 62a_100000756562_100010199036 [0,0,0,1,0,1|2,0,0]=4 543 B18R3.174331 C=Cc1ccc2[nH]c3c(c2c1)CN(CC3)C 271570a_100011290941_100011855150 [0,1,0,1,0,0|1,0,1]=4 544 B18R3.1871108 CN(C)Cc1c[nH]c2c1cc(cc2)C3CC3 271570a_100011220607_100000728258 [0,1,0,1,0,0|1,0,0]=3 545 B18R3.1871108 CN(C)Cc1c[nH]c2c1cc(cn2)C3CC3 271570a_100011220607_200010174824 [0,1,0,1,0,0|2,0,0]=4 546 B14R1.4 CCc1ccc(cc1)C=CCC(C)C 271570a_100016259101_100011215824 [0,0,1,0,1,0|2,0,0]=4 547 B14R1.4 CNc1ccc(cc1)C=CCC(C)C 271570a_100016259101_100000219623 [0,0,1,0,1,0|2,0,0]=4 548 B14R1.4 COc1ccc(cc1)C=CCC(C)C 271570a_100016259101_100000171711 [0,0,1,0,1,0|1,0,0]=3 549 B14R1.4 COc1ccc(cc1)C=CCN(C)C 270004a_100102631434_100016259823 [0,0,1,0,1,0|0,0,0]=2 550 B14R1.4 COc1ccc(cc1)CCCN(C)C 2230a_100102631434_100011740616 [0,0,1,0,1,0|0,0,2]=4 551 B14R1.4 COc1ccc(cc1)CCCN(C)C 269982a_100102631434_100011740616 [0,0,1,0,1,0|0,0,2]=4 552 B14R1.4 COc1ccc(cc1)CCCN(C)C 270004a_100102631434_100011361577 [0,0,1,0,1,0|0,0,2]=4 553 B14R1.4 COc1ccc(cc1)NCC=C(C)C 34a_100000184247_100000761012 [0,0,1,0,1,0|1,0,1]=4 554 B14R1.4 COc1ccc(cc1)NCCC(C)C 34a_100000184247_100000210312 [0,0,1,0,1,0|1,0,1]=4 555 B14R1.4 COc1ccc(cc1)NN=CC(C)C 4a_100000005221_100000210432 [0,0,1,0,1,0|2,0,0]=4 556 B14R1.4 COc1ccc(cc1)OCCN(C)C 2230a_100102631434_100000183225 [0,0,1,0,1,0|1,0,1]=4 557 B14R1.4 COc1ccc(cc1)OCCN(C)C 269982a_100102631434_100000183225 [0,0,1,0,1,0|1,0,1]=4 558 B14R1.4 COc1ccc(cn1)C=CCC(C)C 271570a_100016259101_100000047065 [0,0,1,0,1,0|2,0,0]=4 559 B14R1.4 COc1ccc(nc1)C=CCC(C)C 271570a_100016259101_100000755202 [0,0,1,0,1,0|2,0,0]=4 560 B14R1.4 CSc1ccc(cc1)C=CCC(C)C 271570a_100016259101_100011263217 [0,0,1,0,1,0|1,1,0]=4 561 B14R1.2340 CN(C)C(=O)c1cc(ccc1N)S[13CH3] 62a_100012355269_200025704644 [0,0,1,0,1,0|1,1,0]=4 562 B14R1.2340 CN(C)C(=O)c1cc(ccc1N)S[13CH3] 62a_200025704644_100012355269 [0,0,1,0,1,0|1,1,0]=4 563 B14R1.2340 COc1ccc(c(c1)C(=C(C)C)C)N 271570a_200000049429_100015195136 [0,0,1,0,1,0|1,0,1]=4 564 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Br 11a_100102631434_100000211723 [0,0,1,0,1,0|2,0,0]=4 565 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Br 1626a_100102631434_100000211723 [0,0,1,0,1,0|2,0,0]=4 566 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Br 240690a_100102631434_100000211723 [0,0,1,0,1,0|2,0,0]=4 567 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Br 527a_100102631434_100000211723 [0,0,1,0,1,0|2,0,0]=4 568 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)C 11a_100102631434_100011399813 [0,0,1,0,1,0|2,0,0]=4 569 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)C 1626a_100102631434_100011399813 [0,0,1,0,1,0|2,0,0]=4 570 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)C 240690a_100102631434_100011399813 [0,0,1,0,1,0|2,0,0]=4 571 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)C 527a_100102631434_100011399813 [0,0,1,0,1,0|2,0,0]=4 572 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Cl 11a_100102631434_100000763818 [0,0,1,0,1,0|2,0,0]=4 573 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Cl 1626a_100102631434_100000763818 [0,0,1,0,1,0|2,0,0]=4 574 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Cl 240690a_100102631434_100000763818 [0,0,1,0,1,0|2,0,0]=4 575 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)Cl 527a_100102631434_100000763818 [0,0,1,0,1,0|2,0,0]=4 576 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)F 11a_100102631434_100011217016 [0,0,1,0,1,0|2,0,0]=4 577 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)F 1626a_100102631434_100011217016 [0,0,1,0,1,0|2,0,0]=4 578 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)F 240690a_100102631434_100011217016 [0,0,1,0,1,0|2,0,0]=4 579 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)F 527a_100102631434_100011217016 [0,0,1,0,1,0|2,0,0]=4 580 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)I 11a_100102631434_100012339533 [0,0,1,0,1,0|2,0,0]=4 581 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)I 1626a_100102631434_100012339533 [0,0,1,0,1,0|2,0,0]=4 582 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)I 240690a_100102631434_100012339533 [0,0,1,0,1,0|2,0,0]=4 583 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)I 527a_100102631434_100012339533 [0,0,1,0,1,0|2,0,0]=4 584 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)O 240690a_100102631434_100000211986 [0,0,1,0,1,0|2,0,0]=4 585 B14R1.2340 COc1ccc(c(c1)C(=O)N(C)C)O 527a_100102631434_100000211986 [0,0,1,0,1,0|2,0,0]=4 586 B14R1.2340 CSc1ccc(c(c1)C(=O)N(C)C)N 62a_100012355269_200000210301 [0,0,1,0,1,0|1,1,0]=4 587 B14R1.2340 CSc1ccc(c(c1)C(=O)N(C)C)N 62a_200000210301_100012355269 [0,0,1,0,1,0|1,1,0]=4 588 B14R1.3723 C=Cc1ccc(cc1CN(C)C)OC 271570a_100011290941_100000727244 [0,0,1,0,1,0|1,0,0]=3 589 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 269982a_100102631434_100011233847 [0,0,1,0,1,0|1,0,1]=4 590 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_100000170336 [0,0,1,0,1,0|1,0,1]=4 591 B14R1.3723 COc1ccc(c(c1)CN(C)C)SC 62a_100000727244_200000210301 [0,0,1,0,1,0|1,0,1]=4 592 B14R1.3723 COc1ccc(c(c1)CN(C)C)SC 62a_200000210301_100000727244 [0,0,1,0,1,0|1,0,1]=4 593 B14R1.3723 COc1ccc(c(c1)CN(C)C)S[13CH3] 62a_100000727244_200025704644 [0,0,1,0,1,0|1,0,1]=4 594 B14R1.3723 COc1ccc(c(c1)CN(C)C)S[13CH3] 62a_200025704644_100000727244 [0,0,1,0,1,0|1,0,1]=4 595 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000731263 [1,0,0,0,1,0|2,0,0]=4 596 B14R2.5816 CC(C)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100014147963 [1,0,0,0,1,0|1,0,0]=3 597 B14R2.5816 CC(C)c1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010332741 [1,0,0,0,1,0|2,0,0]=4 598 B16R1.2 CCc1ccc(cc1)NN=CC=CN(C)C 4a_100015204395_100000735856 [0,0,1,0,0,1|1,0,1]=4 599 B16R1.2 COc1ccc(cc1)CNCCCN(C)C 207a_102531767803_100000169835 [0,0,1,0,0,1|0,0,2]=4 600 B16R1.2 COc1ccc(cc1)CNCCCN(C)C 270004a_102531767803_100000169835 [0,0,1,0,0,1|0,0,2]=4 601 B16R1.2 COc1ccc(cc1)CNN=CCC(C)C 4a_100000741578_100000185833 [0,0,1,0,0,1|2,0,0]=4 602 B16R1.2 COc1ccc(cc1)NN=CC=CN(C)C 4a_100000005221_100000735856 [0,0,1,0,0,1|0,0,1]=3 603 B16R1.2 COc1ccc(cn1)NN=CC=CN(C)C 4a_100102564821_100000735856 [0,0,1,0,0,1|1,0,1]=4 604 B16R1.2 CSc1ccc(cc1)NN=CC=CN(C)C 4a_100000006515_100000735856 [0,0,1,0,0,1|0,1,1]=4 605 B16R1.1139 COC(=O)/C=C/c1ccc(cc1)CN(C)C 2230a_100102631434_100016987420 [0,0,1,0,0,1|2,0,0]=4 606 B16R1.1139 COC(=O)/C=C/c1ccc(cc1)CN(C)C 269982a_100102631434_100016987420 [0,0,1,0,0,1|2,0,0]=4 607 B16R1.20213 COc1ccc(c(c1)CC(=O)CN(C)C)Br 1458a_100000750896_100000761528 [0,0,1,0,0,1|2,0,0]=4 608 B16R1.20213 COc1ccc(c(c1)CC(=O)CN(C)C)Cl 1458a_100000750896_100000718613 [0,0,1,0,0,1|2,0,0]=4 609 B16R1.20213 COc1ccc(c(c1)CC(=O)CN(C)C)F 1458a_100000750896_100010243555 [0,0,1,0,0,1|2,0,0]=4 610 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)Br 11a_100000748603_100000750896 [0,0,1,0,0,1|2,0,0]=4 611 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)Br 22a_100000748603_100000750896 [0,0,1,0,0,1|2,0,0]=4 612 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)C 11a_100000760359_100000750896 [0,0,1,0,0,1|2,0,0]=4 613 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)C 22a_100000760359_100000750896 [0,0,1,0,0,1|2,0,0]=4 614 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)C 527a_100000760359_100000750896 [0,0,1,0,0,1|2,0,0]=4 615 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)Cl 11a_100000745576_100000750896 [0,0,1,0,0,1|2,0,0]=4 616 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)Cl 22a_100000745576_100000750896 [0,0,1,0,0,1|2,0,0]=4 617 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)F 11a_100000764331_100000750896 [0,0,1,0,0,1|2,0,0]=4 618 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)F 22a_100000764331_100000750896 [0,0,1,0,0,1|2,0,0]=4 619 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)F 527a_100000764331_100000750896 [0,0,1,0,0,1|2,0,0]=4 620 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)I 11a_100000748021_100000750896 [0,0,1,0,0,1|2,0,0]=4 621 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)I 22a_100000748021_100000750896 [0,0,1,0,0,1|2,0,0]=4 622 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)O 22a_100000188146_100000750896 [0,0,1,0,0,1|2,0,0]=4 623 B16R1.20213 COc1ccc(c(c1)NC(=O)CN(C)C)O 527a_100000188146_100000750896 [0,0,1,0,0,1|2,0,0]=4 624 B16R1.20213 COc1ccc(c(c1)SC(C)CN(C)C)N 62a_100015195136_100020606517 [0,0,1,0,0,1|0,0,2]=4 625 B16R1.20213 COc1ccc(c(c1)SC(C)CN(C)C)N 62a_100020606517_100015195136 [0,0,1,0,0,1|0,0,2]=4 626 B16R2.11975 CN(C)Cc1ccc2ccc(cc2c1)Br 270004a_100102631434_100010200085 [1,0,0,0,0,1|2,0,0]=4 627 B16R2.11975 CN(C)Cc1ccc2ccc(cc2n1)Cl 2230a_100102631434_100010196396 [1,0,0,0,0,1|2,0,0]=4 628 B16R2.11975 CN(C)Cc1ccc2ccc(cc2n1)Cl 269982a_100102631434_100010196396 [1,0,0,0,0,1|2,0,0]=4 629 B16R2.11975 CN(C)Cc1ccc2ccc(cc2n1)Cl 270004a_100102631434_100000083681 [1,0,0,0,0,1|2,0,0]=4 630 B16R2.11975 CN(C)Cc1cnc2ccc(cc2c1)Br 270004a_100102631434_100010174008 [1,0,0,0,0,1|1,0,1]=4 631 B16R2.11975 CN(C)Cc1cnc2ccc(cc2c1)Cl 270004a_100102631434_200000110299 [1,0,0,0,0,1|1,0,1]=4 632 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(C)C 62a_100000210624_100010212567 [1,0,0,0,0,1|2,0,0]=4 633 B16R2.15551 Cc1ccc2[nH]nc(c2c1)CNC(C)C 207a_100138425928_100000050950 [1,0,0,0,0,1|2,0,0]=4 634 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(C)C 62a_100000210624_100000123028 [1,0,0,0,0,1|2,0,0]=4 635 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(C)C 62a_100000210624_100010246215 [1,0,0,0,0,1|2,0,0]=4 636 B16R2.28226 CNCC1=Cc2cc(ccc2OC1)OC 270004a_106832991635_100000025530 [1,0,0,0,0,1|1,0,1]=4 637 B16R2.28226 COCc1ccc2ccc(cc2c1)OC 34a_100009888446_200000210301 [1,0,0,0,0,1|2,0,0]=4 638 B16R2.28226 COCc1ccc2ccc(cc2c1)OC 7a_100009888446_200000210301 [1,0,0,0,0,1|2,0,0]=4 639 B16R2.28226 COc1ccc2ccc(cc2c1)CO[13CH3] 34a_100009888446_200025704644 [1,0,0,0,0,1|2,0,0]=4 640 B16R2.28226 COc1ccc2ccc(cc2c1)CO[13CH3] 7a_100009888446_200025704644 [1,0,0,0,0,1|2,0,0]=4 641 B16R2.116049 CNCc1ccnc2c1cc(cc2)OC 207a_100102657272_100000068177 [1,0,0,0,0,1|0,0,1]=3 642 B16R2.116049 CNCc1ccnc2c1cc(cc2)OC 270004a_106832991635_100000068177 [1,0,0,0,0,1|0,0,1]=3 643 B16R2.36851 COc1ccnc2c1c(c[nH]2)C=C(C)C 271570a_100102525489_100010232044 [0,0,0,0,1,1|1,0,1]=4 644 B16R2.36851 COc1nccc2c1c(c[nH]2)C=C(C)C 271570a_100102525489_100010206807 [0,0,0,0,1,1|1,0,1]=4 645 B16R2.36851 COc1nccc2c1c(c[nH]2)SC(C)C 62a_100000210206_100010206807 [0,0,0,0,1,1|2,0,0]=4 646 B16R2.2482 COc1cc2[nH]cc(c2cn1)C=C(C)C 271570a_100102525489_200010168631 [0,0,0,0,1,1|1,0,1]=4 647 B16R2.2482 COc1cc2[nH]cc(c2cn1)SC(C)C 62a_100000210206_200010168631 [0,0,0,0,1,1|2,0,0]=4 648 B16R2.2482 COc1ccc2c(c[nH]c2c1)CC(=O)C 1458a_100102525305_200000210301 [0,0,0,0,1,1|2,0,0]=4 649 B16R2.2482 COc1ccc2c(c[nH]c2c1)CC(=O)[13CH3] 1458a_100102525305_200025704644 [0,0,0,0,1,1|2,0,0]=4 650 B16R2.2482 COc1cnc2c(c[nH]c2c1)C=C(C)C 271570a_100102525489_200010168573 [0,0,0,0,1,1|1,0,1]=4 651 B16R2.2482 COc1cnc2c(c[nH]c2c1)SC(C)C 62a_100000210206_200010168573 [0,0,0,0,1,1|2,0,0]=4 652 B18R2.17886 COc1ccc2ccc(cc2c1)COC(C)C 34a_100009888446_100000210206 [0,0,0,0,0,2|2,0,0]=4 653 B18R2.17886 COc1ccc2ccc(cc2c1)COC(C)C 7a_100009888446_100000210206 [0,0,0,0,0,2|2,0,0]=4 654 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)C 34a_100000179802_100000210624 [0,0,0,0,0,2|2,0,0]=4 655 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)C 7a_100000179802_100000210760 [0,0,0,0,0,2|2,0,0]=4 656 B18R2.17886 COc1ccc2ccc(cc2c1)SCC(C)C 62a_100000210624_100010090027 [0,0,0,0,0,2|2,0,0]=4 657 B18R2.17886 COc1ccc2ccc(nc2c1)NCC(C)C 27a_100000210953_100009877240 [0,0,0,0,0,2|2,0,0]=4 658 B18R2.17886 COc1ccc2ccc(nc2c1)SCC(C)C 62a_100000210624_100009877240 [0,0,0,0,0,2|2,0,0]=4 659 B18R2.17886 COc1ccc2ncc(cc2c1)SCC(C)C 62a_100000210624_100000700671 [0,0,0,0,0,2|1,0,1]=4 660 B18R2.17886 COc1ccc2ncc(nc2c1)NCC(C)C 27a_100000210953_100009882714 [0,0,0,0,0,2|1,0,1]=4 661 B18R2.17886 COc1ccc2ncc(nc2c1)SCC(C)C 62a_100000210624_100009882714 [0,0,0,0,0,2|1,0,1]=4 662 B18R2.18288 COc1ccc2cccc(c2c1)NCC(C)C 34a_100000087654_100000210624 [0,0,0,0,0,2|2,0,0]=4 663 B18R2.18288 COc1ccc2cccc(c2c1)OCC(C)C 34a_100000040783_100000210624 [0,0,0,0,0,2|2,0,0]=4 664 B18R2.18288 COc1ccc2cccc(c2c1)OCC(C)C 7a_100000040783_100000210760 [0,0,0,0,0,2|2,0,0]=4 665 B18R2.18288 COc1ccc2cccc(c2c1)SCC(C)C 62a_100000210624_100010178974 [0,0,0,0,0,2|2,0,0]=4 666 B18R2.18288 COc1ccc2ccnc(c2c1)NCC(C)C 27a_100000210953_100012348807 [0,0,0,0,0,2|2,0,0]=4 667 B18R2.18288 COc1ccc2ccnc(c2c1)SCC(C)C 62a_100000210624_100012348807 [0,0,0,0,0,2|2,0,0]=4 668 B18R2.18288 COc1ccc2nccc(c2c1)CNC(C)C 207a_100138425928_100000068177 [0,0,0,0,0,2|1,0,1]=4 669 B18R2.18288 COc1ccc2nccc(c2c1)NCC(C)C 27a_100000210953_100011310462 [0,0,0,0,0,2|1,0,1]=4 670 B18R2.18288 COc1ccc2nccc(c2c1)OCC(C)C 34a_100000005308_100000210624 [0,0,0,0,0,2|1,0,1]=4 671 B18R2.18288 COc1ccc2nccc(c2c1)SCC(C)C 62a_100000210624_100011310462 [0,0,0,0,0,2|1,0,1]=4 672 B18R2.18288 COc1ccc2ncnc(c2c1)NCC(C)C 27a_100000210953_100011804145 [0,0,0,0,0,2|1,0,1]=4 673 B18R2.18288 COc1ccc2ncnc(c2c1)SCC(C)C 62a_100000210624_100011804145 [0,0,0,0,0,2|1,0,1]=4 674 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000038029_200025704644 [0,0,0,0,0,2|2,0,0]=4 675 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 7a_100000038029_200025704644 [0,0,0,0,0,2|2,0,0]=4 676 B18R2.120971 COc1cc2c(c[nH]c2cn1)C=CCC(C)C 271570a_100016259101_200010163580 [0,0,0,0,0,2|2,0,0]=4 677 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCC=C(C)C 62a_100000761012_200010163580 [0,0,0,0,0,2|2,0,0]=4 678 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCCC(C)C 62a_100000210312_200010163580 [0,0,0,0,0,2|2,0,0]=4 679 B18R2.120971 COc1cc2c(c[nH]c2cn1)SCOC(C)C 62a_100000709892_200010163580 [0,0,0,0,0,2|2,0,0]=4 680 B18R2.120971 COc1ccc2[nH]cc(c2c1)C=NNC(C)C 4a_100000741168_100000748866 [0,0,0,0,0,2|1,0,1]=4 681 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 240690a_100000755253_100015343762 [0,0,0,0,0,2|2,0,0]=4 682 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_200000210301 [0,0,0,0,0,2|2,0,0]=4 683 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 527a_100000755253_100103153847 [0,0,0,0,0,2|2,0,0]=4 684 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_200000210301 [0,0,0,0,0,2|2,0,0]=4 685 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000755253_100000210206 [0,0,0,0,0,2|1,0,0]=3 686 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCOC(C)C 34a_200011933912_100000210206 [0,0,0,0,0,2|1,0,0]=3 687 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000084035_100000210432 [0,0,0,0,0,2|1,0,0]=3 688 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)C 270004a_100000210953_100000748866 [0,0,0,0,0,2|1,0,0]=3 689 B18R2.120971 COc1ccc2[nH]cc(c2c1)CNCC(C)O 270004a_100000210904_100000748866 [0,0,0,0,0,2|2,0,0]=4 690 B18R2.120971 COc1ccc2[nH]cc(c2n1)C=CCC(C)C 271570a_100016259101_100010199035 [0,0,0,0,0,2|2,0,0]=4 691 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCC=C(C)C 62a_100000761012_100010199035 [0,0,0,0,0,2|2,0,0]=4 692 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCCC(C)C 62a_100000210312_100010199035 [0,0,0,0,0,2|2,0,0]=4 693 B18R2.120971 COc1ccc2[nH]cc(c2n1)SCOC(C)C 62a_100000709892_100010199035 [0,0,0,0,0,2|2,0,0]=4 694 B18R2.120971 COc1ccc2[nH]nc(c2c1)C=CCC(C)C 271570a_100016259101_100012353730 [0,0,0,0,0,2|2,0,0]=4 695 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)C 207a_100000210953_100000084273 [0,0,0,0,0,2|2,0,0]=4 696 B18R2.120971 COc1ccc2[nH]nc(c2c1)CNCC(C)C 270004a_100000210953_100000084273 [0,0,0,0,0,2|2,0,0]=4 697 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCC=C(C)C 62a_100000761012_100012353730 [0,0,0,0,0,2|2,0,0]=4 698 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCCC(C)C 62a_100000210312_100012353730 [0,0,0,0,0,2|2,0,0]=4 699 B18R2.120971 COc1ccc2[nH]nc(c2c1)SCOC(C)C 62a_100000709892_100012353730 [0,0,0,0,0,2|2,0,0]=4 700 B18R2.120971 COc1cnc2[nH]cc(c2c1)C=CCC(C)C 271570a_100016259101_100010199036 [0,0,0,0,0,2|2,0,0]=4 701 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCC=C(C)C 62a_100000761012_100010199036 [0,0,0,0,0,2|2,0,0]=4 702 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCCC(C)C 62a_100000210312_100010199036 [0,0,0,0,0,2|2,0,0]=4 703 B18R2.120971 COc1cnc2[nH]cc(c2c1)SCOC(C)C 62a_100000709892_100010199036 [0,0,0,0,0,2|2,0,0]=4