0 B16R1.1038 C=C(C)CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000748629 [0,0,0,0,0,0|0,0,4]=4 1 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)C)C 1458a_100000211388_100000211441 [0,0,0,0,0,0|1,0,3]=4 2 B16R1.1038 CC(=CC(=O)CC(O)c1ccc(cc1)Cl)C 1458a_100000211388_200011996143 [0,0,0,0,0,0|2,0,2]=4 3 B16R1.1038 CC(=CC(=O)C[C@H](O)c1ccc(cc1)F)C 1458a_100000211388_100000720402 [0,0,0,0,0,0|2,0,2]=4 4 B16R1.1038 CC(=CC(=O)NC(C)c1ccc(nc1)C)C 11a_100011815741_100000211388 [0,0,0,0,0,0|2,0,2]=4 5 B16R1.1038 CC(=CC(=O)NC(C)c1ccc(nc1)C)C 1626a_100011815741_100000211388 [0,0,0,0,0,0|2,0,2]=4 6 B16R1.1038 CC(=CC(=O)NC(C)c1ccc(nc1)C)C 240690a_100011815741_100000211388 [0,0,0,0,0,0|2,0,2]=4 7 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)F)C 11a_100025705893_100000211388 [0,0,0,0,0,0|2,0,2]=4 8 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)F)C 1626a_100025705893_100000211388 [0,0,0,0,0,0|2,0,2]=4 9 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)F)C 240690a_100025705893_100000211388 [0,0,0,0,0,0|2,0,2]=4 10 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)I)C 11a_100000753911_100000211388 [0,0,0,0,0,0|2,0,2]=4 11 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)I)C 1626a_100000753911_100000211388 [0,0,0,0,0,0|2,0,2]=4 12 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)I)C 240690a_100000753911_100000211388 [0,0,0,0,0,0|2,0,2]=4 13 B16R1.1038 CC(=CC(=O)N[C@@H](C)c1ccc(cc1)O)C 240690a_100161106496_100000211388 [0,0,0,0,0,0|2,0,2]=4 14 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)Br)C 11a_100000720352_100000211388 [0,0,0,0,0,0|2,0,2]=4 15 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)Br)C 1626a_100000720352_100000211388 [0,0,0,0,0,0|2,0,2]=4 16 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)Br)C 240690a_100000720352_100000211388 [0,0,0,0,0,0|2,0,2]=4 17 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)C 11a_100016988085_100000211388 [0,0,0,0,0,0|1,0,2]=3 18 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)C 1626a_100016988085_100000211388 [0,0,0,0,0,0|1,0,2]=3 19 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)C 240690a_100016988085_100000211388 [0,0,0,0,0,0|1,0,2]=3 20 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)Cl 11a_100016988085_200042562850 [0,0,0,0,0,0|2,0,2]=4 21 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)Cl 1626a_100016988085_200042562850 [0,0,0,0,0,0|2,0,2]=4 22 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)Cl 240690a_100016988085_200042562850 [0,0,0,0,0,0|2,0,2]=4 23 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)I 11a_100016988085_100025716642 [0,0,0,0,0,0|2,0,2]=4 24 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)C)I 1626a_100016988085_100025716642 [0,0,0,0,0,0|2,0,2]=4 25 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)Cl)C 11a_100015205461_100000211388 [0,0,0,0,0,0|2,0,2]=4 26 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)Cl)C 1626a_100015205461_100000211388 [0,0,0,0,0,0|2,0,2]=4 27 B16R1.1038 CC(=CC(=O)N[C@H](C)c1ccc(cc1)Cl)C 240690a_100015205461_100000211388 [0,0,0,0,0,0|2,0,2]=4 28 B16R1.1038 CC(=CC(C)OC(C)c1ccc(cc1)Br)C 34a_100000717055_100000755118 [0,0,0,0,0,0|3,0,0]=3 29 B16R1.1038 CC(=CC(C)OC(C)c1ccc(cc1)C)C 34a_100000717055_100011261388 [0,0,0,0,0,0|2,0,0]=2 30 B16R1.1038 CC(=CC(C)OC(C)c1ccc(cc1)F)C 34a_100000717055_100000743420 [0,0,0,0,0,0|3,0,0]=3 31 B16R1.1038 CC(=O)OC(C)SC(C)c1ccc(cc1)C 62a_100009818208_100011261388 [0,0,0,0,0,0|4,0,0]=4 32 B16R1.1038 CC(=O)OC(C)SC(C)c1ccc(cc1)C 62a_100011261388_100009818208 [0,0,0,0,0,0|4,0,0]=4 33 B16R1.1038 Cc1ccc(cc1)C(C)CC(=O)CC(C)C 1458a_100011240733_100000210624 [0,0,0,0,0,0|0,0,4]=4 34 B16R1.1038 Cc1ccc(cc1)C(C)CC(=O)NC(C)C 11a_100138425928_100011240733 [0,0,0,0,0,0|1,0,3]=4 35 B16R1.1038 Cc1ccc(cc1)C(C)CC(=O)NC(C)C 1626a_100138425928_100011240733 [0,0,0,0,0,0|1,0,3]=4 36 B16R1.1038 Cc1ccc(cc1)C(C)CC(=O)NC(C)C 240690a_100138425928_100011240733 [0,0,0,0,0,0|1,0,3]=4 37 B16R1.1038 Cc1ccc(cc1)C(C)CC(=O)NC(C)C 527a_100138425928_100011240733 [0,0,0,0,0,0|1,0,3]=4 38 B16R1.1038 Cc1ccc(cc1)C(C)NC(C)CC(C)C 2230a_100000692259_100011261388 [0,0,0,0,0,0|2,0,2]=4 39 B16R1.1038 Cc1ccc(cc1)C(C)NC(C)CC(C)C 269862a_100000692259_100000185793 [0,0,0,0,0,0|2,0,2]=4 40 B16R1.1038 Cc1ccc(cc1)C(C)NC(C)CN(C)C 269862a_100016992788_100000185793 [0,0,0,0,0,0|3,0,1]=4 41 B16R1.1038 Cc1ccc(cc1)C(C)OC(C)CC(C)C 34a_100000211805_100011261388 [0,0,0,0,0,0|2,0,2]=4 42 B16R1.1038 Cc1ccc(cc1)C(C)OC(C)CC(C)C 7a_100000211805_100011261388 [0,0,0,0,0,0|2,0,2]=4 43 B16R1.1038 Cc1ccc(cc1)C(C)SC(C)CC(C)C 62a_100000731052_100011261388 [0,0,0,0,0,0|2,0,2]=4 44 B16R1.1038 Cc1ccc(cc1)C(C)SC(C)CC(C)C 62a_100011261388_100000731052 [0,0,0,0,0,0|2,0,2]=4 45 B16R1.1038 Cc1ccc(cc1)C(C)SC(C)CN(C)C 62a_100011261388_100020606517 [0,0,0,0,0,0|3,0,1]=4 46 B16R1.1038 Cc1ccc(cc1)C(C)SC(C)CN(C)C 62a_100020606517_100011261388 [0,0,0,0,0,0|3,0,1]=4 47 B16R1.1038 Cc1ccc(cc1)N(C)CC(C)CN(C)C 2230a_100000219977_100015348159 [0,0,0,0,0,0|3,0,1]=4 48 B16R1.1038 Cc1ccc(cc1)N(C)CC(C)CN(C)C 269982a_100000219977_100015348159 [0,0,0,0,0,0|3,0,1]=4 49 B16R1.1038 Cc1ccc(cc1)[C@@H](C)NC(C)CC(C)C 2230a_100016988085_100000731052 [0,0,0,0,0,0|2,0,2]=4 50 B16R1.1038 Cc1ccc(cc1)[C@@H](C)NC(C)CC(C)C 34a_100016988085_100000731052 [0,0,0,0,0,0|2,0,2]=4 51 B16R1.1038 Cc1ccc(cc1)[C@@H](C)OC(C)CC(C)C 34a_100000690690_100000731052 [0,0,0,0,0,0|2,0,2]=4 52 B16R1.1038 Cc1ccc(cc1)[C@@H](C)OC(C)CC(C)C 7a_100000690690_100000731052 [0,0,0,0,0,0|2,0,2]=4 53 B15R1.23 C/C=C/C(C)OC(C)c1ccc(cc1)Br 34a_200102604097_100000755118 [1,0,0,0,0,0|3,0,0]=4 54 B15R1.23 C/C=C/C(C)OC(C)c1ccc(cc1)C 34a_200102604097_100011261388 [1,0,0,0,0,0|2,0,0]=3 55 B15R1.23 C/C=C/C(C)OC(C)c1ccc(cc1)F 34a_200102604097_100000743420 [1,0,0,0,0,0|3,0,0]=4 56 B15R1.23 CC=CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100000210699 [1,0,0,0,0,0|1,0,2]=4 57 B15R1.23 CC=CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100000210699 [1,0,0,0,0,0|1,0,2]=4 58 B15R1.23 CC=CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100000210699 [1,0,0,0,0,0|1,0,2]=4 59 B15R1.23 COCC(O)CN(C)c1ccc(cc1)C 34a_100000219977_100011215053 [1,0,0,0,0,0|2,0,1]=4 60 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)Br)C 1458a_100000211388_100011740612 [1,0,0,0,0,0|1,0,2]=4 61 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)C)C 1458a_100000211388_100011713686 [1,0,0,0,0,0|0,0,2]=3 62 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)C)Cl 1458a_200042562850_100011713686 [1,0,0,0,0,0|1,0,2]=4 63 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)C)I 1458a_100025716642_100011713686 [1,0,0,0,0,0|1,0,2]=4 64 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)Cl)C 1458a_100000211388_100011713675 [1,0,0,0,0,0|1,0,2]=4 65 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)F)C 1458a_100000211388_100011217392 [1,0,0,0,0,0|1,0,2]=4 66 B15R1.870 CC(=CC(=O)CCc1ccc(cc1)O)C 1458a_100000211388_100009816426 [1,0,0,0,0,0|1,0,2]=4 67 B15R1.870 CC(=CC(=O)NCc1ccc(cc1)C)C 11a_100000174908_100000211388 [1,0,0,0,0,0|1,0,2]=4 68 B15R1.870 CC(=CC(=O)NCc1ccc(cc1)C)C 1626a_100000174908_100000211388 [1,0,0,0,0,0|1,0,2]=4 69 B15R1.870 CC(=CC(=O)NCc1ccc(cc1)C)C 240690a_100000174908_100000211388 [1,0,0,0,0,0|1,0,2]=4 70 B15R1.870 CC(=CC(C)OCc1ccc(cc1)Br)C 34a_100000717055_100000189115 [1,0,0,0,0,0|3,0,0]=4 71 B15R1.870 CC(=CC(C)OCc1ccc(cc1)C)C 34a_100000717055_100000210814 [1,0,0,0,0,0|2,0,0]=3 72 B15R1.870 CC(=CC(C)OCc1ccc(cc1)Cl)C 34a_100000717055_100000694040 [1,0,0,0,0,0|3,0,0]=4 73 B15R1.870 CC(=CC(C)OCc1ccc(cc1)F)C 34a_100000717055_100000198546 [1,0,0,0,0,0|3,0,0]=4 74 B15R1.870 CC(=CC(C)OCc1ccc(cc1)I)C 34a_100000717055_100000189116 [1,0,0,0,0,0|3,0,0]=4 75 B15R1.870 CC(=CC(C)OCc1ccc(cn1)C)C 34a_100000717055_100000691093 [1,0,0,0,0,0|3,0,0]=4 76 B15R1.870 CC(=CC(C)OCc1ccc(nc1)C)C 34a_100000717055_100016987292 [1,0,0,0,0,0|3,0,0]=4 77 B15R1.882 C=C(C)CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000730704 [1,0,0,0,0,0|1,0,2]=4 78 B15R1.882 C=C(C)CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000730704 [1,0,0,0,0,0|1,0,2]=4 79 B15R1.882 C=C(C)CCOC(C)c1ccc(cc1)C 34a_100000764851_100011261388 [1,0,0,0,0,0|1,0,2]=4 80 B15R1.882 C=C(C)CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000730704 [1,0,0,0,0,0|1,0,2]=4 81 B15R1.882 C=C(C)CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000730704 [1,0,0,0,0,0|1,0,2]=4 82 B15R1.882 C=C(C)CCSC(C)c1ccc(cc1)C 62a_100000730704_100011261388 [1,0,0,0,0,0|1,0,2]=4 83 B15R1.882 C=C(C)CCSC(C)c1ccc(cc1)C 62a_100011261388_100000730704 [1,0,0,0,0,0|1,0,2]=4 84 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)Br)C 1458a_100000185839_100011217483 [1,0,0,0,0,0|2,0,1]=4 85 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)C)C 1458a_100000188618_100011217483 [1,0,0,0,0,0|1,0,1]=3 86 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)Cl)C 1458a_100000210187_100011217483 [1,0,0,0,0,0|2,0,1]=4 87 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)F)C 1458a_100000187176_100011217483 [1,0,0,0,0,0|2,0,1]=4 88 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)I)C 1458a_100000187904_100011217483 [1,0,0,0,0,0|2,0,1]=4 89 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)O)C 1458a_100000212099_100011217483 [1,0,0,0,0,0|2,0,1]=4 90 B15R1.882 CC(=CCCN(C)c1ccc(cc1)Br)C 2230a_100000219623_100011217483 [1,0,0,0,0,0|2,0,0]=3 91 B15R1.882 CC(=CCCN(C)c1ccc(cc1)Br)C 269982a_100000219623_100011217483 [1,0,0,0,0,0|2,0,0]=3 92 B15R1.882 CC(=CCCN(C)c1ccc(cc1)Br)C 34a_100000219623_100011217483 [1,0,0,0,0,0|2,0,0]=3 93 B15R1.882 CC(=CCCN(C)c1ccc(cc1)C)C 2230a_100000219977_100011217483 [1,0,0,0,0,0|1,0,0]=2 94 B15R1.882 CC(=CCCN(C)c1ccc(cc1)C)C 269982a_100000219977_100011217483 [1,0,0,0,0,0|1,0,0]=2 95 B15R1.882 CC(=CCCN(C)c1ccc(cc1)C)C 34a_100000219977_100011217483 [1,0,0,0,0,0|1,0,0]=2 96 B15R1.882 CC(=CCCN(C)c1ccc(cc1)Cl)C 2230a_100020629279_100011217483 [1,0,0,0,0,0|2,0,0]=3 97 B15R1.882 CC(=CCCN(C)c1ccc(cc1)Cl)C 269982a_100020629279_100011217483 [1,0,0,0,0,0|2,0,0]=3 98 B15R1.882 CC(=CCCN(C)c1ccc(cc1)Cl)C 34a_100020629279_100011217483 [1,0,0,0,0,0|2,0,0]=3 99 B15R1.882 CC(=CCCN(C)c1ccc(cc1)F)C 2230a_100000219829_100011217483 [1,0,0,0,0,0|2,0,0]=3 100 B15R1.882 CC(=CCCN(C)c1ccc(cc1)F)C 269982a_100000219829_100011217483 [1,0,0,0,0,0|2,0,0]=3 101 B15R1.882 CC(=CCCN(C)c1ccc(cc1)F)C 34a_100000219829_100011217483 [1,0,0,0,0,0|2,0,0]=3 102 B15R1.882 CC(=CCCN(C)c1ccc(cc1)I)C 2230a_100000743151_100011217483 [1,0,0,0,0,0|2,0,0]=3 103 B15R1.882 CC(=CCCN(C)c1ccc(cc1)I)C 269982a_100000743151_100011217483 [1,0,0,0,0,0|2,0,0]=3 104 B15R1.882 CC(=CCCN(C)c1ccc(cc1)I)C 34a_100000743151_100011217483 [1,0,0,0,0,0|2,0,0]=3 105 B15R1.882 CC(=CCCN(C)c1ccc(cc1)O)C 269982a_100000182112_100011217483 [1,0,0,0,0,0|2,0,0]=3 106 B15R1.882 CC(=CCCN(C)c1ccc(cc1)O)C 34a_100000182112_100011217483 [1,0,0,0,0,0|2,0,0]=3 107 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C 11a_100000718196_100000188618 [1,0,0,0,0,0|2,0,1]=4 108 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C 1626a_100000718196_100000188618 [1,0,0,0,0,0|2,0,1]=4 109 B15R1.882 CC(=CCNC(=O)c1ccc(cc1)C)C 527a_100000718196_100000188618 [1,0,0,0,0,0|2,0,1]=4 110 B15R1.882 CC(=CCNC(C)c1ccc(cc1)Br)C 34a_100000718196_100000755118 [1,0,0,0,0,0|2,0,0]=3 111 B15R1.882 CC(=CCNC(C)c1ccc(cc1)C)C 34a_100000718196_100011261388 [1,0,0,0,0,0|1,0,0]=2 112 B15R1.882 CC(=CCNC(C)c1ccc(cc1)F)C 34a_100000718196_100000743420 [1,0,0,0,0,0|2,0,0]=3 113 B15R1.882 CC(=CCNC(C)c1ccc(cn1)Br)C 2230a_100000723930_100000761012 [1,0,0,0,0,0|3,0,0]=4 114 B15R1.882 CC(=CCNC(C)c1ccc(cn1)Br)C 270004a_100000718196_100000686046 [1,0,0,0,0,0|3,0,0]=4 115 B15R1.882 CC(=CCNC(C)c1ccc(cn1)C)C 270004a_100000718196_100000084104 [1,0,0,0,0,0|2,0,0]=3 116 B15R1.882 CC(=CCNC(C)c1ccc(cn1)Cl)C 270004a_100000718196_100000692432 [1,0,0,0,0,0|3,0,0]=4 117 B15R1.882 CC(=CCNC(C)c1ccc(cn1)F)C 270004a_100000718196_100102946652 [1,0,0,0,0,0|3,0,0]=4 118 B15R1.882 CC(=CCNC(C)c1ccc(nc1)C)C 2230a_100011815741_100000761012 [1,0,0,0,0,0|2,0,0]=3 119 B15R1.882 CC(=CCNC(C)c1ccc(nc1)C)C 34a_100011815741_100000761012 [1,0,0,0,0,0|2,0,0]=3 120 B15R1.882 CC(=CCN[C@@H](C)c1ccc(cc1)F)C 2230a_100025705893_100000761012 [1,0,0,0,0,0|2,0,0]=3 121 B15R1.882 CC(=CCN[C@@H](C)c1ccc(cc1)F)C 34a_100025705893_100000761012 [1,0,0,0,0,0|2,0,0]=3 122 B15R1.882 CC(=CCN[C@@H](C)c1ccc(cc1)I)C 2230a_100000753911_100000761012 [1,0,0,0,0,0|2,0,0]=3 123 B15R1.882 CC(=CCN[C@@H](C)c1ccc(cc1)O)C 2230a_100161106496_100000761012 [1,0,0,0,0,0|2,0,0]=3 124 B15R1.882 CC(=CCN[C@@H](C)c1ccc(nc1)Br)C 2230a_100015387476_100000761012 [1,0,0,0,0,0|3,0,0]=4 125 B15R1.882 CC(=CCN[C@H](C)c1ccc(cc1)Br)C 2230a_100000720352_100000761012 [1,0,0,0,0,0|2,0,0]=3 126 B15R1.882 CC(=CCN[C@H](C)c1ccc(cc1)C)C 2230a_100016988085_100000761012 [1,0,0,0,0,0|1,0,0]=2 127 B15R1.882 CC(=CCN[C@H](C)c1ccc(cc1)C)C 34a_100016988085_100000761012 [1,0,0,0,0,0|1,0,0]=2 128 B15R1.882 CC(=CCN[C@H](C)c1ccc(cc1)Cl)C 2230a_100015205461_100000761012 [1,0,0,0,0,0|2,0,0]=3 129 B15R1.882 CC(=CCN[C@H](C)c1ccc(cc1)Cl)C 34a_100015205461_100000761012 [1,0,0,0,0,0|2,0,0]=3 130 B15R1.882 CC(=CCOC(C)c1ccc(cc1)Br)C 34a_100000745893_100000761012 [1,0,0,0,0,0|2,0,0]=3 131 B15R1.882 CC(=CCOC(C)c1ccc(cc1)Br)C 34a_100000753907_100000755118 [1,0,0,0,0,0|2,0,0]=3 132 B15R1.882 CC(=CCOC(C)c1ccc(cc1)Br)C 7a_100000745893_100000761012 [1,0,0,0,0,0|2,0,0]=3 133 B15R1.882 CC(=CCOC(C)c1ccc(cc1)C)C 34a_100000753907_100011261388 [1,0,0,0,0,0|1,0,0]=2 134 B15R1.882 CC(=CCOC(C)c1ccc(cc1)F)C 34a_100000181323_100000761012 [1,0,0,0,0,0|2,0,0]=3 135 B15R1.882 CC(=CCOC(C)c1ccc(cc1)F)C 34a_100000753907_100000743420 [1,0,0,0,0,0|2,0,0]=3 136 B15R1.882 CC(=CCOC(C)c1ccc(cc1)F)C 7a_100000181323_100000761012 [1,0,0,0,0,0|2,0,0]=3 137 B15R1.882 CC(=CCOC(C)c1ccc(cc1)N)C 34a_100011216399_100000761012 [1,0,0,0,0,0|2,0,0]=3 138 B15R1.882 CC(=CCOC(C)c1ccc(cn1)Br)C 34a_100012353650_100000761012 [1,0,0,0,0,0|3,0,0]=4 139 B15R1.882 CC(=CCOC(C)c1ccc(cn1)Br)C 7a_100012353650_100000761012 [1,0,0,0,0,0|3,0,0]=4 140 B15R1.882 CC(=CCOC(C)c1ccc(nc1)Br)C 34a_200010274204_100000761012 [1,0,0,0,0,0|3,0,0]=4 141 B15R1.882 CC(=CCOC(C)c1ccc(nc1)Br)C 7a_200010274204_100000761012 [1,0,0,0,0,0|3,0,0]=4 142 B15R1.882 CC(=CCOC(C)c1ccc(nc1)C)C 34a_200011815720_100000761012 [1,0,0,0,0,0|2,0,0]=3 143 B15R1.882 CC(=CCOC(C)c1ccc(nc1)C)C 7a_200011815720_100000761012 [1,0,0,0,0,0|2,0,0]=3 144 B15R1.882 CC(=CCOC(C)c1ccc(nc1)Cl)C 34a_200012017543_100000761012 [1,0,0,0,0,0|3,0,0]=4 145 B15R1.882 CC(=CCOC(C)c1ccc(nc1)Cl)C 7a_200012017543_100000761012 [1,0,0,0,0,0|3,0,0]=4 146 B15R1.882 CC(=CCO[C@@H](C)c1ccc(cc1)Cl)C 34a_100011852131_100000761012 [1,0,0,0,0,0|2,0,0]=3 147 B15R1.882 CC(=CCO[C@@H](C)c1ccc(cc1)Cl)C 7a_100011852131_100000761012 [1,0,0,0,0,0|2,0,0]=3 148 B15R1.882 CC(=CCO[C@H](C)c1ccc(cc1)C)C 34a_100000690690_100000761012 [1,0,0,0,0,0|1,0,0]=2 149 B15R1.882 CC(=CCO[C@H](C)c1ccc(cc1)C)C 7a_100000690690_100000761012 [1,0,0,0,0,0|1,0,0]=2 150 B15R1.882 CC(=CCSC(C)c1ccc(cc1)Br)C 62a_100000755118_100000761012 [1,0,0,0,0,0|2,0,0]=3 151 B15R1.882 CC(=CCSC(C)c1ccc(cc1)Br)C 62a_100000761012_100000755118 [1,0,0,0,0,0|2,0,0]=3 152 B15R1.882 CC(=CCSC(C)c1ccc(cc1)C)C 62a_100000761012_100011261388 [1,0,0,0,0,0|1,0,0]=2 153 B15R1.882 CC(=CCSC(C)c1ccc(cc1)C)C 62a_100011261388_100000761012 [1,0,0,0,0,0|1,0,0]=2 154 B15R1.882 CC(=CCSC(C)c1ccc(cc1)Cl)C 62a_100000684792_100000761012 [1,0,0,0,0,0|2,0,0]=3 155 B15R1.882 CC(=CCSC(C)c1ccc(cc1)Cl)C 62a_100000761012_100000684792 [1,0,0,0,0,0|2,0,0]=3 156 B15R1.882 CC(=CCSC(C)c1ccc(cc1)F)C 62a_100000743420_100000761012 [1,0,0,0,0,0|2,0,0]=3 157 B15R1.882 CC(=CCSC(C)c1ccc(cc1)F)C 62a_100000761012_100000743420 [1,0,0,0,0,0|2,0,0]=3 158 B15R1.882 CC(=O)CCCN(C)c1ccc(cc1)C 269982a_100000219977_100011215641 [1,0,0,0,0,0|2,0,1]=4 159 B15R1.882 CC(=O)CCCN(C)c1ccc(cc1)C 34a_100000219977_100000685027 [1,0,0,0,0,0|2,0,1]=4 160 B15R1.882 CC(=O)CCOC(C)c1ccc(cc1)C 34a_100000759926_100011261388 [1,0,0,0,0,0|2,0,1]=4 161 B15R1.882 CC(=O)CCOC(C)c1ccc(cc1)C 7a_100000759926_100011261388 [1,0,0,0,0,0|2,0,1]=4 162 B15R1.882 CC(=O)CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000053229 [1,0,0,0,0,0|2,0,1]=4 163 B15R1.882 CC(=O)CCSC(C)c1ccc(cc1)C 62a_100000053229_100011261388 [1,0,0,0,0,0|2,0,1]=4 164 B15R1.882 CC(=O)CCSC(C)c1ccc(cc1)C 62a_100011261388_100000053229 [1,0,0,0,0,0|2,0,1]=4 165 B15R1.882 CC(=O)NCCN(C)c1ccc(cc1)C 2230a_100000219977_100000189650 [1,0,0,0,0,0|3,0,0]=4 166 B15R1.882 CC(=O)NCCN(C)c1ccc(cc1)C 269982a_100000219977_100000189650 [1,0,0,0,0,0|3,0,0]=4 167 B15R1.882 CC(=O)OCCN(C)c1ccc(cc1)C 269982a_100000219977_100009814007 [1,0,0,0,0,0|3,0,0]=4 168 B15R1.882 CC(=O)OCCN(C)c1ccc(cc1)C 34a_100000219977_100009814007 [1,0,0,0,0,0|3,0,0]=4 169 B15R1.882 CC(=O)OCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100009813279 [1,0,0,0,0,0|3,0,0]=4 170 B15R1.882 CC(=O)OCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100009813279 [1,0,0,0,0,0|3,0,0]=4 171 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)C 62a_100000076356_100011261388 [1,0,0,0,0,0|3,0,0]=4 172 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)C 62a_100011261388_100000076356 [1,0,0,0,0,0|3,0,0]=4 173 B15R1.882 Cc1ccc(cc1)C(C)NCCC(C)C 269862a_100000210545_100000185793 [1,0,0,0,0,0|1,0,2]=4 174 B15R1.882 Cc1ccc(cc1)C(C)NCCN(C)C 269862a_100000210585_100000185793 [1,0,0,0,0,0|2,0,1]=4 175 B15R1.882 Cc1ccc(cc1)C(C)OCCC(C)C 34a_100000210254_100011261388 [1,0,0,0,0,0|1,0,2]=4 176 B15R1.882 Cc1ccc(cc1)C(C)OCCC(C)C 7a_100000210254_100011261388 [1,0,0,0,0,0|1,0,2]=4 177 B15R1.882 Cc1ccc(cc1)C(C)SCCC(C)C 62a_100000210312_100011261388 [1,0,0,0,0,0|1,0,2]=4 178 B15R1.882 Cc1ccc(cc1)C(C)SCCC(C)C 62a_100011261388_100000210312 [1,0,0,0,0,0|1,0,2]=4 179 B15R1.882 Cc1ccc(cc1)C(C)SCCN(C)C 62a_100011261388_100000755713 [1,0,0,0,0,0|2,0,1]=4 180 B15R1.882 Cc1ccc(cc1)C(C)SCOC(C)C 62a_100000709892_100011261388 [1,0,0,0,0,0|2,0,1]=4 181 B15R1.882 Cc1ccc(cc1)C(C)SCOC(C)C 62a_100011261388_100000709892 [1,0,0,0,0,0|2,0,1]=4 182 B15R1.882 Cc1ccc(cc1)C(N)CCOC(C)C 34a_100011661551_100000210206 [1,0,0,0,0,0|2,0,1]=4 183 B15R1.882 Cc1ccc(cc1)N(C)CCC=C(F)F 2230a_100000219977_200009816681 [1,0,0,0,0,0|3,0,0]=4 184 B15R1.882 Cc1ccc(cc1)N(C)CCC=C(F)F 269982a_100000219977_200009816681 [1,0,0,0,0,0|3,0,0]=4 185 B15R1.882 Cc1ccc(cc1)N(C)CCC=C(F)F 34a_100000219977_200009816681 [1,0,0,0,0,0|3,0,0]=4 186 B15R1.882 Cc1ccc(cc1)N(C)CCCC(C)C 2230a_100000219977_100011214892 [1,0,0,0,0,0|1,0,2]=4 187 B15R1.882 Cc1ccc(cc1)N(C)CCCC(C)C 269982a_100000219977_100011214892 [1,0,0,0,0,0|1,0,2]=4 188 B15R1.882 Cc1ccc(cc1)N(C)CCCC(C)C 34a_100000219977_100011214892 [1,0,0,0,0,0|1,0,2]=4 189 B15R1.882 Cc1ccc(cc1)N(C)CCCN(C)C 269982a_100000219977_100000757444 [1,0,0,0,0,0|2,0,1]=4 190 B15R1.882 Cc1ccc(cc1)N(C)CCOC(C)C 2230a_100000219977_100000211751 [1,0,0,0,0,0|2,0,1]=4 191 B15R1.882 Cc1ccc(cc1)N(C)CCOC(C)C 269982a_100000219977_100000211751 [1,0,0,0,0,0|2,0,1]=4 192 B15R1.882 Cc1ccc(cc1)N(C)CCOC(C)C 34a_100000219977_100000211751 [1,0,0,0,0,0|2,0,1]=4 193 B15R1.882 Cc1ccc(cc1)N(C)CCSC(C)C 2230a_100000219977_100000730970 [1,0,0,0,0,0|2,0,1]=4 194 B15R1.882 Cc1ccc(cc1)N(C)CCSC(C)C 269982a_100000219977_100000730970 [1,0,0,0,0,0|2,0,1]=4 195 B15R1.882 Cc1ccc(cc1)N(C)CCSC(C)C 34a_100000219977_100000730970 [1,0,0,0,0,0|2,0,1]=4 196 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 2230a_100016988085_100000210312 [1,0,0,0,0,0|1,0,2]=4 197 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 269862a_100016988085_100000185833 [1,0,0,0,0,0|1,0,2]=4 198 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(C)C 34a_100016988085_100000210312 [1,0,0,0,0,0|1,0,2]=4 199 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCOC(C)C 2230a_100016988085_100000709892 [1,0,0,0,0,0|2,0,1]=4 200 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCOC(C)C 34a_100016988085_100000709892 [1,0,0,0,0,0|2,0,1]=4 201 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(C)C 34a_100000690690_100000210312 [1,0,0,0,0,0|1,0,2]=4 202 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(C)C 7a_100000690690_100000210626 [1,0,0,0,0,0|1,0,2]=4 203 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCN(C)C 7a_100000690690_100000755713 [1,0,0,0,0,0|2,0,1]=4 204 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCOC(C)C 34a_100000690690_100000709892 [1,0,0,0,0,0|2,0,1]=4 205 B15R1.882 [2H]C(OCC=C(C)C)c1ccc(cc1)F 34a_217856618577_100000761012 [1,0,0,0,0,0|3,0,0]=4 206 B15R1.882 [2H]C(OCC=C(C)C)c1ccc(cc1)F 7a_217856618577_100000761012 [1,0,0,0,0,0|3,0,0]=4 207 B15R1.1076 CC(=CC(=O)CC(C)c1ccccc1)C 1458a_100000211388_100000756946 [1,0,0,0,0,0|0,0,2]=3 208 B15R1.1076 CC(=CC(=O)CC(C)c1ccccc1)Cl 1458a_200042562850_100000756946 [1,0,0,0,0,0|1,0,2]=4 209 B15R1.1076 CC(=CC(=O)CC(C)c1ccccc1)I 1458a_100025716642_100000756946 [1,0,0,0,0,0|1,0,2]=4 210 B15R1.1076 CC(=CC(=O)CC(O)c1ccccc1)C 1458a_100000211388_100000185958 [1,0,0,0,0,0|1,0,2]=4 211 B15R1.1076 CC(=CC(=O)C[C@@H](O)c1ccccc1)C 1458a_100000211388_100011933945 [1,0,0,0,0,0|1,0,2]=4 212 B15R1.1076 CC(=CC(=O)N[C@H](C)c1ccccc1)C 11a_100000751104_100000211388 [1,0,0,0,0,0|1,0,2]=4 213 B15R1.1076 CC(=CC(=O)N[C@H](C)c1ccccc1)C 1626a_100000751104_100000211388 [1,0,0,0,0,0|1,0,2]=4 214 B15R1.1076 CC(=CC(=O)N[C@H](C)c1ccccc1)C 240690a_100000751104_100000211388 [1,0,0,0,0,0|1,0,2]=4 215 B15R1.1076 CC(=CC(C)OC(C)c1ccccc1)C 34a_100000717055_100000211855 [1,0,0,0,0,0|2,0,0]=3 216 B17R1.208 CCc1ccc(cc1)C(C)NC(=O)C=C(C)C 11a_100015186439_100000211388 [0,1,0,0,0,0|1,0,2]=4 217 B17R1.208 CCc1ccc(cc1)C(C)NC(=O)C=C(C)C 1626a_100015186439_100000211388 [0,1,0,0,0,0|1,0,2]=4 218 B17R1.208 CCc1ccc(cc1)C(C)NC(=O)C=C(C)C 240690a_100015186439_100000211388 [0,1,0,0,0,0|1,0,2]=4 219 B17R1.208 COc1ccc(cc1)[C@@H](C)NC(=O)C=C(C)C 11a_100011830352_100000211388 [0,1,0,0,0,0|1,0,2]=4 220 B17R1.208 COc1ccc(cc1)[C@@H](C)NC(=O)C=C(C)C 1626a_100011830352_100000211388 [0,1,0,0,0,0|1,0,2]=4 221 B17R1.208 COc1ccc(cc1)[C@@H](C)NC(=O)C=C(C)C 240690a_100011830352_100000211388 [0,1,0,0,0,0|1,0,2]=4 222 B17R1.208 CSc1ccc(cc1)C(C)NC(=O)C=C(C)C 11a_100000738722_100000211388 [0,1,0,0,0,0|1,0,2]=4 223 B17R1.208 CSc1ccc(cc1)C(C)NC(=O)C=C(C)C 240690a_100000738722_100000211388 [0,1,0,0,0,0|1,0,2]=4 224 B17R1.695 CC(=CC(=O)N[C@@H](CO)c1ccc(cc1)C)C 240690a_100009818840_100000211388 [0,1,0,0,0,0|1,0,2]=4 225 B17R1.695 CCC(NC(=O)C=C(C)C)c1ccc(cc1)C 11a_100000749201_100000211388 [0,1,0,0,0,0|1,0,2]=4 226 B17R1.695 CCC(NC(=O)C=C(C)C)c1ccc(cc1)C 1626a_100000749201_100000211388 [0,1,0,0,0,0|1,0,2]=4 227 B17R1.695 CCC(NC(=O)C=C(C)C)c1ccc(cc1)C 240690a_100000749201_100000211388 [0,1,0,0,0,0|1,0,2]=4 228 B17R1.697 Cc1ccc(cc1)C(C)N[C@H](CO)CC(C)C 2230a_100011830311_100011261388 [0,1,0,0,0,0|1,0,2]=4 229 B17R1.697 Cc1ccc(cc1)C(C)N[C@H](CO)CC(C)C 269862a_100011830311_100000185793 [0,1,0,0,0,0|1,0,2]=4 230 B17R1.697 Cc1ccc(cc1)C(C)N[C@H](CO)CC(C)C 34a_100011830311_100011261388 [0,1,0,0,0,0|1,0,2]=4 231 B17R1.856 CCC(=CC(=O)N[C@H](C)c1ccc(cc1)C)C 11a_100016988085_100020758463 [0,1,0,0,0,0|1,0,2]=4 232 B17R1.856 CCC(=CC(=O)N[C@H](C)c1ccc(cc1)C)C 1626a_100016988085_100020758463 [0,1,0,0,0,0|1,0,2]=4 233 B17R1.856 CCC(=CC(=O)N[C@H](C)c1ccc(cc1)C)C 240690a_100016988085_100020758463 [0,1,0,0,0,0|1,0,2]=4 234 B17R1.856 COC(=O)C[C@@H](O)CN(C)c1ccc(cc1)C 34a_100000219977_100000754131 [0,1,0,0,0,0|2,0,1]=4 235 B17R1.1067 Cc1ccc(cc1)C(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100011261388 [0,1,0,0,0,0|0,0,3]=4 236 B17R1.1073 Cc1ccc(cc1)C(C)N[C@@H](C)C(=O)N(C)C 2230a_100000697320_100011261388 [0,1,0,0,0,0|3,0,0]=4 237 B17R1.1073 Cc1ccc(cc1)C(C)N[C@@H](C)C(=O)N(C)C 269862a_100000697320_100000185793 [0,1,0,0,0,0|3,0,0]=4 238 B17R1.1073 Cc1ccc(cc1)C(C)N[C@@H](C)C(=O)N(C)C 34a_100000697320_100011261388 [0,1,0,0,0,0|3,0,0]=4 239 B17R1.1073 Cc1ccc(cc1)C(C)SC(C)C(=O)C(C)C 62a_100009893295_100011261388 [0,1,0,0,0,0|2,0,1]=4 240 B17R1.1073 Cc1ccc(cc1)C(C)SC(C)C(=O)C(C)C 62a_100011261388_100009893295 [0,1,0,0,0,0|2,0,1]=4 241 B17R1.1073 Cc1ccc(cc1)C(C)SC(C)C(=O)N(C)C 62a_100000209910_100011261388 [0,1,0,0,0,0|3,0,0]=4 242 B17R1.1073 Cc1ccc(cc1)C(C)SC(C)C(=O)N(C)C 62a_100011261388_100000209910 [0,1,0,0,0,0|3,0,0]=4 243 B17R1.1073 Cc1ccc(cc1)[C@@H](C)NC(C)C(=O)C(C)C 2230a_100016988085_100009893295 [0,1,0,0,0,0|2,0,1]=4 244 B17R1.1073 Cc1ccc(cc1)[C@@H](C)NC(C)C(=O)N(C)C 2230a_100016988085_100000209910 [0,1,0,0,0,0|3,0,0]=4 245 B17R1.1073 Cc1ccc(cc1)[C@@H](C)OC(C)C(=O)C(C)C 7a_100000690690_100009893295 [0,1,0,0,0,0|2,0,1]=4 246 B17R1.1073 Cc1ccc(cc1)[C@@H](C)OC(C)C(=O)N(C)C 7a_100000690690_100000209910 [0,1,0,0,0,0|3,0,0]=4 247 B17R1.8286 Cc1ccc(cc1)N(C)CC(O)C[N+](C)(C)C 2230a_100000219977_100000032816 [0,1,0,0,0,0|2,0,1]=4 248 B17R1.8286 Cc1ccc(cc1)N(C)CC(O)C[N+](C)(C)C 269982a_100000219977_100000032816 [0,1,0,0,0,0|2,0,1]=4 249 B17R1.8286 Cc1ccc(cc1)N(C)CC(O)C[N+](C)(C)C 34a_100000219977_100000032816 [0,1,0,0,0,0|2,0,1]=4 250 B17R1.9070 CC(=CC(=O)N[C@@H](C)c1ccc(cc1C)C)C 11a_100000745882_100000211388 [0,1,0,0,0,0|1,0,2]=4 251 B17R1.9070 CC(=CC(=O)N[C@@H](C)c1ccc(cc1C)C)C 1626a_100000745882_100000211388 [0,1,0,0,0,0|1,0,2]=4 252 B17R1.9070 CC(=CC(=O)N[C@@H](C)c1ccc(cc1C)C)C 240690a_100000745882_100000211388 [0,1,0,0,0,0|1,0,2]=4 253 B17R1.23502 CC(=CC(=O)NC(C)c1ccc(c(c1)Cl)C)C 11a_100012005020_100000211388 [0,1,0,0,0,0|1,0,2]=4 254 B17R1.23502 CC(=CC(=O)NC(C)c1ccc(c(c1)Cl)C)C 1626a_100012005020_100000211388 [0,1,0,0,0,0|1,0,2]=4 255 B17R1.23502 CC(=CC(=O)NC(C)c1ccc(c(c1)Cl)C)C 240690a_100012005020_100000211388 [0,1,0,0,0,0|1,0,2]=4 256 B17R1.23502 CC(=CC(=O)N[C@@H](C)c1ccc(c(c1)F)C)C 11a_100011997884_100000211388 [0,1,0,0,0,0|1,0,2]=4 257 B17R1.23502 CC(=CC(=O)N[C@@H](C)c1ccc(c(c1)F)C)C 1626a_100011997884_100000211388 [0,1,0,0,0,0|1,0,2]=4 258 B17R1.23502 CC(=CC(=O)N[C@@H](C)c1ccc(c(c1)F)C)C 240690a_100011997884_100000211388 [0,1,0,0,0,0|1,0,2]=4 259 B17R1.23502 CC(=CC(=O)N[C@H](C)c1ccc(c(c1)C)C)C 11a_100015184928_100000211388 [0,1,0,0,0,0|1,0,2]=4 260 B17R1.23502 CC(=CC(=O)N[C@H](C)c1ccc(c(c1)C)C)C 1626a_100015184928_100000211388 [0,1,0,0,0,0|1,0,2]=4 261 B17R1.23502 CC(=CC(=O)N[C@H](C)c1ccc(c(c1)C)C)C 240690a_100015184928_100000211388 [0,1,0,0,0,0|1,0,2]=4 262 B17R1.23690 CC(=CC(=O)NC(C)(C)c1ccc(cc1)C)C 11a_200011345931_100000211388 [0,1,0,0,0,0|1,0,2]=4 263 B17R1.23690 CC(=CC(=O)NC(C)(C)c1ccc(cc1)C)C 1626a_200011345931_100000211388 [0,1,0,0,0,0|1,0,2]=4 264 B17R1.23690 CC(=CC(=O)NC(C)(C)c1ccc(cc1)C)C 240690a_200011345931_100000211388 [0,1,0,0,0,0|1,0,2]=4 265 B17R2.199 Cc1ccc(cc1)C(C)Cc2nc(no2)C 270196a_100000212224_100011240733 [0,0,0,1,0,0|2,0,1]=4 266 B17R2.199 Cc1ccc(cc1)N(C)Cc2cc(no2)C 2230a_100000219977_100000707947 [0,0,0,1,0,0|2,0,1]=4 267 B17R2.199 Cc1ccc(cc1)N(C)Cc2cc(no2)C 269982a_100000219977_100000707947 [0,0,0,1,0,0|2,0,1]=4 268 B17R2.199 Cc1ccc(cc1)N(C)Cc2cc(no2)C 34a_100000219977_100000707947 [0,0,0,1,0,0|2,0,1]=4 269 B15R1.880 CC(=CC(=O)C(C)c1ccc(cc1)Br)C 1458a_100000211388_100000755118 [0,0,0,0,1,0|1,0,2]=4 270 B15R1.880 CC(=CC(=O)C(C)c1ccc(cc1)C)C 1458a_100000211388_100011261388 [0,0,0,0,1,0|0,0,2]=3 271 B15R1.880 CC(=CC(=O)C(C)c1ccc(cc1)C)Cl 1458a_200042562850_100011261388 [0,0,0,0,1,0|1,0,2]=4 272 B15R1.880 CC(=CC(=O)C(C)c1ccc(cc1)C)I 1458a_100025716642_100011261388 [0,0,0,0,1,0|1,0,2]=4 273 B15R1.880 CC(=CC(=O)C(C)c1ccc(cc1)Cl)C 1458a_100000211388_100000684792 [0,0,0,0,1,0|1,0,2]=4 274 B15R1.880 CC(=CC(=O)C(C)c1ccc(cc1)F)C 1458a_100000211388_100000743420 [0,0,0,0,1,0|1,0,2]=4 275 B15R1.880 CC(=CC(=O)N(C)c1ccc(cc1)C)C 11a_100000219977_100000211388 [0,0,0,0,1,0|1,0,2]=4 276 B15R1.880 CC(=CC(=O)N(C)c1ccc(cc1)C)C 1626a_100000219977_100000211388 [0,0,0,0,1,0|1,0,2]=4 277 B15R1.880 CC(=CC(=O)N(C)c1ccc(cc1)C)C 22a_100000219977_100000211388 [0,0,0,0,1,0|1,0,2]=4 278 B15R1.881 C=C(C)C(C)N[C@H](C)c1ccc(cc1)C 269862a_100016988085_100011216138 [0,0,0,0,1,0|2,0,1]=4 279 B15R1.881 CC(=O)C(C)N[C@H](C)c1ccc(cc1)C 2230a_100016988085_100009814033 [0,0,0,0,1,0|3,0,0]=4 280 B15R1.881 CC(=O)C(C)OC(C)c1ccc(cc1)C 34a_100000212229_100011261388 [0,0,0,0,1,0|3,0,0]=4 281 B15R1.881 CC(=O)C(C)O[C@H](C)c1ccc(cc1)C 7a_100000690690_100000179758 [0,0,0,0,1,0|3,0,0]=4 282 B15R1.881 CC(=O)C(C)SC(C)c1ccc(cc1)C 62a_100009814033_100011261388 [0,0,0,0,1,0|3,0,0]=4 283 B15R1.881 CC(=O)C(C)SC(C)c1ccc(cc1)C 62a_100011261388_100009814033 [0,0,0,0,1,0|3,0,0]=4 284 B15R1.881 Cc1ccc(cc1)C(C)CC(=O)C(C)C 1458a_100011240733_100000210206 [0,0,0,0,1,0|0,0,3]=4 285 B15R1.881 Cc1ccc(cc1)C(C)CC(=O)N(C)C 11a_100102631434_100011240733 [0,0,0,0,1,0|1,0,2]=4 286 B15R1.881 Cc1ccc(cc1)C(C)CC(=O)N(C)C 1626a_100102631434_100011240733 [0,0,0,0,1,0|1,0,2]=4 287 B15R1.881 Cc1ccc(cc1)C(C)CC(=O)N(C)C 240690a_100102631434_100011240733 [0,0,0,0,1,0|1,0,2]=4 288 B15R1.881 Cc1ccc(cc1)C(C)CC(=O)N(C)C 527a_100102631434_100011240733 [0,0,0,0,1,0|1,0,2]=4 289 B15R1.881 Cc1ccc(cc1)C(C)NC(C)C(C)C 2230a_100000211541_100011261388 [0,0,0,0,1,0|2,0,1]=4 290 B15R1.881 Cc1ccc(cc1)C(C)NC(C)C(C)C 269862a_100000211541_100000185793 [0,0,0,0,1,0|2,0,1]=4 291 B15R1.881 Cc1ccc(cc1)C(C)OC(C)C(C)C 7a_100000748068_100011261388 [0,0,0,0,1,0|2,0,1]=4 292 B17R1.1060 CC(=CCC(=O)CC(C)c1ccc(cc1)C)C 1458a_100011240733_100000761012 [0,0,0,0,0,1|0,0,2]=3 293 B17R1.1060 CC(=CCC(=O)N[C@H](C)c1ccc(cc1)C)C 11a_100016988085_100011220947 [0,0,0,0,0,1|1,0,2]=4 294 B17R1.1060 CC(=CCC(=O)N[C@H](C)c1ccc(cc1)C)C 1626a_100016988085_100011220947 [0,0,0,0,0,1|1,0,2]=4 295 B17R1.1060 CC(=CCC(=O)N[C@H](C)c1ccc(cc1)C)C 240690a_100016988085_100011220947 [0,0,0,0,0,1|1,0,2]=4 296 B17R1.1060 CC(=CCC(=O)N[C@H](C)c1ccc(cc1)C)C 527a_100016988085_100011220947 [0,0,0,0,0,1|1,0,2]=4 297 B17R1.1060 CC(=O)OCC(O)CN(C)c1ccc(cc1)C 269982a_100000219977_200000139349 [0,0,0,0,0,1|2,0,1]=4 298 B17R1.1060 CC(=O)OCC(O)CN(C)c1ccc(cc1)C 34a_100000219977_200000139349 [0,0,0,0,0,1|2,0,1]=4 299 B17R1.23544 CC(=CC(=O)CC(C)Oc1ccc(cc1)F)C 1458a_100000211388_100010228477 [0,0,0,0,0,1|1,0,2]=4 300 B17R1.23780 CC(=CC(=O)NCC(C)c1ccc(cc1)O)C 240690a_200015188644_100000211388 [0,0,0,0,0,1|1,0,2]=4 301 B17R1.23780 CC(=CC(=O)NCC(O)c1ccc(cc1)C)C 240690a_200020610344_100000211388 [0,0,0,0,0,1|1,0,2]=4 302 B17R1.23780 CC(=CC(C)OCC(=O)c1ccc(cc1)C)C 34a_100000717055_100000211441 [0,0,0,0,0,1|2,0,1]=4 303 B17R1.23780 CC(=CC(C)OCC(O)c1ccc(cc1)Cl)C 34a_100000717055_200011996143 [0,0,0,0,0,1|3,0,0]=4 304 B17R1.23780 CC(=CC(C)OC[C@H](O)c1ccc(cc1)F)C 34a_100000717055_100000720402 [0,0,0,0,0,1|3,0,0]=4 305 B17R1.23780 CC(NCC(O)CN(C)C)c1ccc(cc1)Br 269862a_100000737402_100000185794 [0,0,0,0,0,1|2,0,1]=4 306 B17R1.23780 CC(NCC(O)CN(C)C)c1ccc(cc1)Cl 269862a_100000737402_100000185797 [0,0,0,0,0,1|2,0,1]=4 307 B17R1.23780 CC(NCC(O)CN(C)C)c1ccc(cc1)F 269862a_100000737402_100000185800 [0,0,0,0,0,1|2,0,1]=4 308 B17R1.23780 CC(NCC(O)CN(C)C)c1ccc(cc1)I 269862a_100000737402_100000185465 [0,0,0,0,0,1|2,0,1]=4 309 B17R1.23780 Cc1ccc(cc1)C(C)NCC(O)CC(=O)O 269956a_100011218706_100011261388 [0,0,0,0,0,1|2,0,1]=4 310 B17R1.23780 Cc1ccc(cc1)C(C)NCC(O)CN(C)C 269862a_100000737402_100000185793 [0,0,0,0,0,1|1,0,1]=3 311 B17R1.23780 Cc1ccc(cc1)C(C)OC[C@@H](N)CC(C)C 34a_100011830311_100011261388 [0,0,0,0,0,1|1,0,2]=4 312 B17R1.23780 Cc1ccc(cc1)C(C)SCC(C)CN(C)C 62a_100011261388_100015348159 [0,0,0,0,0,1|2,0,1]=4 313 B17R1.23780 Cc1ccc(cc1)C(C)SCC(C)CN(C)C 62a_100015348159_100011261388 [0,0,0,0,0,1|2,0,1]=4 314 B17R1.23780 Cc1ccc(cc1)[C@@H](C)NCC(C)CN(C)C 2230a_100016988085_100015348159 [0,0,0,0,0,1|2,0,1]=4 315 B17R1.23780 Cc1ccc(cc1)[C@@H](C)OCC(C)CN(C)C 7a_100000690690_100015348159 [0,0,0,0,0,1|2,0,1]=4 316 B17R1.23780 Cc1ccc(cn1)C(C)NCC(O)CN(C)C 269862a_100000737402_100011280547 [0,0,0,0,0,1|2,0,1]=4 317 B17R1.23780 Cc1ccc(nc1)C(C)NCC(O)CN(C)C 269862a_100000737402_100000084104 [0,0,0,0,0,1|2,0,1]=4 318 B14R1.10 C=CC(C)OC(C)c1ccc(cc1)C 34a_100000695699_100011261388 [2,0,0,0,0,0|2,0,0]=4 319 B14R1.10 C=CC(C)SC(C)c1ccc(cc1)C 62a_100011215867_100011261388 [2,0,0,0,0,0|2,0,0]=4 320 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000730141 [2,0,0,0,0,0|2,0,0]=4 321 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000730141 [2,0,0,0,0,0|2,0,0]=4 322 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000730141 [2,0,0,0,0,0|1,0,0]=3 323 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)C 34a_100000219977_100000730141 [2,0,0,0,0,0|1,0,0]=3 324 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000730141 [2,0,0,0,0,0|2,0,0]=4 325 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000730141 [2,0,0,0,0,0|2,0,0]=4 326 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000730141 [2,0,0,0,0,0|2,0,0]=4 327 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100000730141 [2,0,0,0,0,0|2,0,0]=4 328 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000730141 [2,0,0,0,0,0|2,0,0]=4 329 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100000730141 [2,0,0,0,0,0|2,0,0]=4 330 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100000730141 [2,0,0,0,0,0|2,0,0]=4 331 B14R1.10 CCC(O)CN(C)c1ccc(cc1)C 2230a_100000219977_100011218378 [2,0,0,0,0,0|1,0,1]=4 332 B14R1.10 CCC(O)CN(C)c1ccc(cc1)C 269982a_100000219977_100011218378 [2,0,0,0,0,0|1,0,1]=4 333 B14R1.10 CCC(O)CN(C)c1ccc(cc1)C 34a_100000219977_100011218378 [2,0,0,0,0,0|1,0,1]=4 334 B14R1.19 C/C=C/CNC(C)c1ccc(nc1)C 34a_100011815741_100102629194 [2,0,0,0,0,0|2,0,0]=4 335 B14R1.19 C/C=C/CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100102629194 [2,0,0,0,0,0|2,0,0]=4 336 B14R1.19 C/C=C/CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100102629194 [2,0,0,0,0,0|1,0,0]=3 337 B14R1.19 C/C=C/CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100102629194 [2,0,0,0,0,0|2,0,0]=4 338 B14R1.19 C/C=C/COC(C)c1ccc(cc1)Br 34a_100000745893_100102629194 [2,0,0,0,0,0|2,0,0]=4 339 B14R1.19 C/C=C/COC(C)c1ccc(cc1)Br 34a_100016270725_100000755118 [2,0,0,0,0,0|2,0,0]=4 340 B14R1.19 C/C=C/COC(C)c1ccc(cc1)Br 7a_100000745893_100102629194 [2,0,0,0,0,0|2,0,0]=4 341 B14R1.19 C/C=C/COC(C)c1ccc(cc1)C 34a_100016270725_100011261388 [2,0,0,0,0,0|1,0,0]=3 342 B14R1.19 C/C=C/COC(C)c1ccc(cc1)F 34a_100000181323_100102629194 [2,0,0,0,0,0|2,0,0]=4 343 B14R1.19 C/C=C/COC(C)c1ccc(cc1)F 34a_100016270725_100000743420 [2,0,0,0,0,0|2,0,0]=4 344 B14R1.19 C/C=C/COC(C)c1ccc(cc1)F 7a_100000181323_100102629194 [2,0,0,0,0,0|2,0,0]=4 345 B14R1.19 C/C=C/COC(C)c1ccc(cc1)N 34a_100011216399_100102629194 [2,0,0,0,0,0|2,0,0]=4 346 B14R1.19 C/C=C/COC(C)c1ccc(nc1)C 34a_200011815720_100102629194 [2,0,0,0,0,0|2,0,0]=4 347 B14R1.19 C/C=C/COC(C)c1ccc(nc1)C 7a_200011815720_100102629194 [2,0,0,0,0,0|2,0,0]=4 348 B14R1.19 C/C=C/CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100102629194 [2,0,0,0,0,0|2,0,0]=4 349 B14R1.19 C/C=C/CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100102629194 [2,0,0,0,0,0|2,0,0]=4 350 B14R1.19 C/C=C/CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100102629194 [2,0,0,0,0,0|1,0,0]=3 351 B14R1.19 C/C=C/CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100102629194 [2,0,0,0,0,0|1,0,0]=3 352 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)Br 62a_100000755118_100102629194 [2,0,0,0,0,0|2,0,0]=4 353 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)Br 62a_100102629194_100000755118 [2,0,0,0,0,0|2,0,0]=4 354 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)C 62a_100011261388_100102629194 [2,0,0,0,0,0|1,0,0]=3 355 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)C 62a_100102629194_100011261388 [2,0,0,0,0,0|1,0,0]=3 356 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)Cl 62a_100000684792_100102629194 [2,0,0,0,0,0|2,0,0]=4 357 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)Cl 62a_100102629194_100000684792 [2,0,0,0,0,0|2,0,0]=4 358 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)F 62a_100000743420_100102629194 [2,0,0,0,0,0|2,0,0]=4 359 B14R1.19 C/C=C/CSC(C)c1ccc(cc1)F 62a_100102629194_100000743420 [2,0,0,0,0,0|2,0,0]=4 360 B14R1.19 CC=CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000070051 [2,0,0,0,0,0|2,0,0]=4 361 B14R1.19 CC=CCNC(C)c1ccc(nc1)C 34a_100011815741_100000070051 [2,0,0,0,0,0|2,0,0]=4 362 B14R1.19 CC=CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000070051 [2,0,0,0,0,0|2,0,0]=4 363 B14R1.19 CC=CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000070051 [2,0,0,0,0,0|2,0,0]=4 364 B14R1.19 CC=CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000070051 [2,0,0,0,0,0|2,0,0]=4 365 B14R1.19 CC=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000070051 [2,0,0,0,0,0|2,0,0]=4 366 B14R1.19 CC=CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000070051 [2,0,0,0,0,0|2,0,0]=4 367 B14R1.19 CC=CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000070051 [2,0,0,0,0,0|1,0,0]=3 368 B14R1.19 CC=CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000070051 [2,0,0,0,0,0|1,0,0]=3 369 B14R1.19 CC=CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000070051 [2,0,0,0,0,0|2,0,0]=4 370 B14R1.19 CC=CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000070051 [2,0,0,0,0,0|2,0,0]=4 371 B14R1.19 CC=CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000070051 [2,0,0,0,0,0|2,0,0]=4 372 B14R1.19 CC=CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000070051 [2,0,0,0,0,0|2,0,0]=4 373 B14R1.19 CC=CCOC(C)c1ccc(cc1)F 34a_100000181323_100000070051 [2,0,0,0,0,0|2,0,0]=4 374 B14R1.19 CC=CCOC(C)c1ccc(cc1)F 7a_100000181323_100000070051 [2,0,0,0,0,0|2,0,0]=4 375 B14R1.19 CC=CCOC(C)c1ccc(cc1)N 34a_100011216399_100000070051 [2,0,0,0,0,0|2,0,0]=4 376 B14R1.19 CC=CCOC(C)c1ccc(nc1)C 34a_200011815720_100000070051 [2,0,0,0,0,0|2,0,0]=4 377 B14R1.19 CC=CCOC(C)c1ccc(nc1)C 7a_200011815720_100000070051 [2,0,0,0,0,0|2,0,0]=4 378 B14R1.19 CC=CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000070051 [2,0,0,0,0,0|2,0,0]=4 379 B14R1.19 CC=CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000070051 [2,0,0,0,0,0|2,0,0]=4 380 B14R1.19 CC=CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000070051 [2,0,0,0,0,0|1,0,0]=3 381 B14R1.19 CC=CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000070051 [2,0,0,0,0,0|1,0,0]=3 382 B14R1.19 CC=CCSC(C)c1ccc(cc1)Br 62a_100000070051_100000755118 [2,0,0,0,0,0|2,0,0]=4 383 B14R1.19 CC=CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000070051 [2,0,0,0,0,0|2,0,0]=4 384 B14R1.19 CC=CCSC(C)c1ccc(cc1)C 62a_100000070051_100011261388 [2,0,0,0,0,0|1,0,0]=3 385 B14R1.19 CC=CCSC(C)c1ccc(cc1)C 62a_100011261388_100000070051 [2,0,0,0,0,0|1,0,0]=3 386 B14R1.19 CC=CCSC(C)c1ccc(cc1)Cl 62a_100000070051_100000684792 [2,0,0,0,0,0|2,0,0]=4 387 B14R1.19 CC=CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000070051 [2,0,0,0,0,0|2,0,0]=4 388 B14R1.19 CC=CCSC(C)c1ccc(cc1)F 62a_100000070051_100000743420 [2,0,0,0,0,0|2,0,0]=4 389 B14R1.19 CC=CCSC(C)c1ccc(cc1)F 62a_100000743420_100000070051 [2,0,0,0,0,0|2,0,0]=4 390 B14R1.29 C/C=C/C(C)OC(C)c1ccccc1 34a_200102604097_100000211855 [2,0,0,0,0,0|2,0,0]=4 391 B14R1.29 CC=CC(=O)CC(C)c1ccccc1 1458a_100000210699_100000756946 [2,0,0,0,0,0|0,0,2]=4 392 B14R1.502 C/C=C/C(C)OCc1ccc(cc1)C 34a_200102604097_100000210814 [2,0,0,0,0,0|2,0,0]=4 393 B14R1.502 CC=CC(=O)CCc1ccc(cc1)C 1458a_100000210699_100011713686 [2,0,0,0,0,0|0,0,2]=4 394 B14R1.677 CC(=CCCNc1ccc(cc1)Br)C 2230a_100000210018_100011217483 [2,0,0,0,0,0|2,0,0]=4 395 B14R1.677 CC(=CCCNc1ccc(cc1)Br)C 34a_100000210018_100011217483 [2,0,0,0,0,0|2,0,0]=4 396 B14R1.677 CC(=CCCNc1ccc(cc1)C)C 34a_100000124888_100011217483 [2,0,0,0,0,0|1,0,0]=3 397 B14R1.677 CC(=CCCNc1ccc(cc1)Cl)C 2230a_100000210052_100011217483 [2,0,0,0,0,0|2,0,0]=4 398 B14R1.677 CC(=CCCNc1ccc(cc1)Cl)C 34a_100000210052_100011217483 [2,0,0,0,0,0|2,0,0]=4 399 B14R1.677 CC(=CCCNc1ccc(cc1)F)C 34a_100000185862_100011217483 [2,0,0,0,0,0|2,0,0]=4 400 B14R1.677 CC(=CCCNc1ccc(cc1)I)C 34a_100000185761_100011217483 [2,0,0,0,0,0|2,0,0]=4 401 B14R1.677 CC(=CCCNc1ccc(cc1)O)C 34a_100000185829_100011217483 [2,0,0,0,0,0|2,0,0]=4 402 B14R1.677 CC(=CCCOc1ccc(cc1)Br)C 34a_100000185759_100011217483 [2,0,0,0,0,0|2,0,0]=4 403 B14R1.677 CC(=CCCOc1ccc(cc1)Br)C 7a_100000185759_100011217483 [2,0,0,0,0,0|2,0,0]=4 404 B14R1.677 CC(=CCCOc1ccc(cc1)C)C 34a_100000210336_100011217483 [2,0,0,0,0,0|1,0,0]=3 405 B14R1.677 CC(=CCCOc1ccc(cc1)C)C 7a_100000210336_100011217483 [2,0,0,0,0,0|1,0,0]=3 406 B14R1.677 CC(=CCCOc1ccc(cc1)Cl)C 34a_100000210216_100011217483 [2,0,0,0,0,0|2,0,0]=4 407 B14R1.677 CC(=CCCOc1ccc(cc1)Cl)C 7a_100000210216_100011217483 [2,0,0,0,0,0|2,0,0]=4 408 B14R1.677 CC(=CCCOc1ccc(cc1)F)C 34a_100000210339_100011217483 [2,0,0,0,0,0|2,0,0]=4 409 B14R1.677 CC(=CCCOc1ccc(cc1)I)C 34a_100000212066_100011217483 [2,0,0,0,0,0|2,0,0]=4 410 B14R1.677 CC(=CCCOc1ccc(cc1)I)C 7a_100000212066_100011217483 [2,0,0,0,0,0|2,0,0]=4 411 B14R1.677 CC(=CCCOc1ccc(cc1)N)C 34a_100000185829_100011217483 [2,0,0,0,0,0|2,0,0]=4 412 B14R1.677 CC(=CCCOc1ccc(cn1)C)C 34a_100000759353_100011217483 [2,0,0,0,0,0|2,0,0]=4 413 B14R1.677 CC(=CCCOc1ccc(nc1)C)C 34a_100000745506_100011217483 [2,0,0,0,0,0|2,0,0]=4 414 B14R1.677 CC(=CCCOc1ccc(nc1)C)C 7a_100000745506_100011217483 [2,0,0,0,0,0|2,0,0]=4 415 B14R1.677 CC(=CCCSc1ccc(cc1)Br)C 62a_100000752885_100011217483 [2,0,0,0,0,0|2,0,0]=4 416 B14R1.677 CC(=CCCSc1ccc(cc1)Br)C 62a_100011217483_100000752885 [2,0,0,0,0,0|2,0,0]=4 417 B14R1.677 CC(=CCCSc1ccc(cc1)C)C 62a_100000186775_100011217483 [2,0,0,0,0,0|1,0,0]=3 418 B14R1.677 CC(=CCCSc1ccc(cc1)C)C 62a_100011217483_100000186775 [2,0,0,0,0,0|1,0,0]=3 419 B14R1.677 CC(=CCCSc1ccc(cc1)Cl)C 62a_100000755918_100011217483 [2,0,0,0,0,0|2,0,0]=4 420 B14R1.677 CC(=CCCSc1ccc(cc1)Cl)C 62a_100011217483_100000755918 [2,0,0,0,0,0|2,0,0]=4 421 B14R1.677 CC(=CCCSc1ccc(cc1)F)C 62a_100000211213_100011217483 [2,0,0,0,0,0|2,0,0]=4 422 B14R1.677 CC(=CCCSc1ccc(cc1)F)C 62a_100011217483_100000211213 [2,0,0,0,0,0|2,0,0]=4 423 B14R1.677 CC(=CCCSc1ccc(cc1)N)C 62a_100000185761_100011217483 [2,0,0,0,0,0|2,0,0]=4 424 B14R1.677 CC(=CCCSc1ccc(cc1)N)C 62a_100011217483_100000185761 [2,0,0,0,0,0|2,0,0]=4 425 B14R1.677 CC(=CCCSc1ccc(cc1)O)C 62a_100011217483_100000185759 [2,0,0,0,0,0|2,0,0]=4 426 B14R1.677 CC(=CCCSc1ccc(cn1)C)C 62a_100011192072_100011217483 [2,0,0,0,0,0|2,0,0]=4 427 B14R1.677 CC(=CCCSc1ccc(cn1)C)C 62a_100011217483_100000754016 [2,0,0,0,0,0|2,0,0]=4 428 B14R1.677 CC(=CCCSc1ccc(nc1)C)C 62a_100000751577_100011217483 [2,0,0,0,0,0|2,0,0]=4 429 B14R1.677 CC(=CCCSc1ccc(nc1)C)C 62a_100011217483_100000751577 [2,0,0,0,0,0|2,0,0]=4 430 B14R1.677 CC(=CCNCc1ccc(cc1)Br)C 2230a_100000174875_100000761012 [2,0,0,0,0,0|2,0,0]=4 431 B14R1.677 CC(=CCNCc1ccc(cc1)Br)C 270004a_100000718196_100000186029 [2,0,0,0,0,0|2,0,0]=4 432 B14R1.677 CC(=CCNCc1ccc(cc1)Br)C 34a_100000174875_100000761012 [2,0,0,0,0,0|2,0,0]=4 433 B14R1.677 CC(=CCNCc1ccc(cc1)Br)C 34a_100000718196_100000189115 [2,0,0,0,0,0|2,0,0]=4 434 B14R1.677 CC(=CCNCc1ccc(cc1)C)C 2230a_100000174908_100000761012 [2,0,0,0,0,0|1,0,0]=3 435 B14R1.677 CC(=CCNCc1ccc(cc1)C)C 270004a_100000718196_100000211033 [2,0,0,0,0,0|1,0,0]=3 436 B14R1.677 CC(=CCNCc1ccc(cc1)C)C 34a_100000174908_100000761012 [2,0,0,0,0,0|1,0,0]=3 437 B14R1.677 CC(=CCNCc1ccc(cc1)C)C 34a_100000718196_100000210814 [2,0,0,0,0,0|1,0,0]=3 438 B14R1.677 CC(=CCNCc1ccc(cc1)Cl)C 2230a_100000174871_100000761012 [2,0,0,0,0,0|2,0,0]=4 439 B14R1.677 CC(=CCNCc1ccc(cc1)Cl)C 270004a_100000718196_100000189385 [2,0,0,0,0,0|2,0,0]=4 440 B14R1.677 CC(=CCNCc1ccc(cc1)Cl)C 34a_100000174871_100000761012 [2,0,0,0,0,0|2,0,0]=4 441 B14R1.677 CC(=CCNCc1ccc(cc1)Cl)C 34a_100000718196_100000694040 [2,0,0,0,0,0|2,0,0]=4 442 B14R1.677 CC(=CCNCc1ccc(cc1)F)C 2230a_100000174882_100000761012 [2,0,0,0,0,0|2,0,0]=4 443 B14R1.677 CC(=CCNCc1ccc(cc1)F)C 270004a_100000718196_100000210084 [2,0,0,0,0,0|2,0,0]=4 444 B14R1.677 CC(=CCNCc1ccc(cc1)F)C 34a_100000174882_100000761012 [2,0,0,0,0,0|2,0,0]=4 445 B14R1.677 CC(=CCNCc1ccc(cc1)F)C 34a_100000718196_100000198546 [2,0,0,0,0,0|2,0,0]=4 446 B14R1.677 CC(=CCNCc1ccc(cc1)I)C 2230a_100016989417_100000761012 [2,0,0,0,0,0|2,0,0]=4 447 B14R1.677 CC(=CCNCc1ccc(cc1)I)C 34a_100000718196_100000189116 [2,0,0,0,0,0|2,0,0]=4 448 B14R1.677 CC(=CCNCc1ccc(cc1)I)C 34a_100016989417_100000761012 [2,0,0,0,0,0|2,0,0]=4 449 B14R1.677 CC(=CCNCc1ccc(cc1)O)C 34a_100000185549_100000761012 [2,0,0,0,0,0|2,0,0]=4 450 B14R1.677 CC(=CCNCc1ccc(cn1)C)C 270004a_100000718196_100000050478 [2,0,0,0,0,0|2,0,0]=4 451 B14R1.677 CC(=CCNCc1ccc(cn1)C)C 34a_100000718196_100000691093 [2,0,0,0,0,0|2,0,0]=4 452 B14R1.677 CC(=CCNCc1ccc(cn1)C)C 34a_100015187455_100000761012 [2,0,0,0,0,0|2,0,0]=4 453 B14R1.677 CC(=CCNCc1ccc(nc1)C)C 270004a_100000718196_100000743784 [2,0,0,0,0,0|2,0,0]=4 454 B14R1.677 CC(=CCNCc1ccc(nc1)C)C 34a_100000718196_100016987292 [2,0,0,0,0,0|2,0,0]=4 455 B14R1.677 CC(=CCNCc1ccc(nc1)C)C 34a_100000740942_100000761012 [2,0,0,0,0,0|2,0,0]=4 456 B14R1.677 CC(=CCOCc1cc[n+](cc1)C)C 34a_100009831711_100000761012 [2,0,0,0,0,0|2,0,0]=4 457 B14R1.677 CC(=CCOCc1ccc(cc1)Br)C 34a_100000695286_100000761012 [2,0,0,0,0,0|2,0,0]=4 458 B14R1.677 CC(=CCOCc1ccc(cc1)Br)C 34a_100000753907_100000189115 [2,0,0,0,0,0|2,0,0]=4 459 B14R1.677 CC(=CCOCc1ccc(cc1)C)C 34a_100000753907_100000210814 [2,0,0,0,0,0|1,0,0]=3 460 B14R1.677 CC(=CCOCc1ccc(cc1)C)C 34a_100011215236_100000761012 [2,0,0,0,0,0|1,0,0]=3 461 B14R1.677 CC(=CCOCc1ccc(cc1)C)C 7a_100011215236_100000761012 [2,0,0,0,0,0|1,0,0]=3 462 B14R1.677 CC(=CCOCc1ccc(cc1)Cl)C 34a_100000211118_100000761012 [2,0,0,0,0,0|2,0,0]=4 463 B14R1.677 CC(=CCOCc1ccc(cc1)Cl)C 34a_100000753907_100000694040 [2,0,0,0,0,0|2,0,0]=4 464 B14R1.677 CC(=CCOCc1ccc(cc1)Cl)C 7a_100000211118_100000761012 [2,0,0,0,0,0|2,0,0]=4 465 B14R1.677 CC(=CCOCc1ccc(cc1)F)C 34a_100000210977_100000761012 [2,0,0,0,0,0|2,0,0]=4 466 B14R1.677 CC(=CCOCc1ccc(cc1)F)C 34a_100000753907_100000198546 [2,0,0,0,0,0|2,0,0]=4 467 B14R1.677 CC(=CCOCc1ccc(cc1)F)C 7a_100000210977_100000761012 [2,0,0,0,0,0|2,0,0]=4 468 B14R1.677 CC(=CCOCc1ccc(cc1)I)C 34a_100000690907_100000761012 [2,0,0,0,0,0|2,0,0]=4 469 B14R1.677 CC(=CCOCc1ccc(cc1)I)C 34a_100000753907_100000189116 [2,0,0,0,0,0|2,0,0]=4 470 B14R1.677 CC(=CCOCc1ccc(cc1)I)C 7a_100000690907_100000761012 [2,0,0,0,0,0|2,0,0]=4 471 B14R1.677 CC(=CCOCc1ccc(cc1)N)C 34a_100011215238_100000761012 [2,0,0,0,0,0|2,0,0]=4 472 B14R1.677 CC(=CCOCc1ccc(cn1)C)C 34a_100000753907_100000691093 [2,0,0,0,0,0|2,0,0]=4 473 B14R1.677 CC(=CCOCc1ccc(cn1)C)C 34a_100012001401_100000761012 [2,0,0,0,0,0|2,0,0]=4 474 B14R1.677 CC(=CCOCc1ccc(nc1)C)C 34a_100000753907_100016987292 [2,0,0,0,0,0|2,0,0]=4 475 B14R1.677 CC(=CCOCc1ccc(nc1)C)C 34a_100011248133_100000761012 [2,0,0,0,0,0|2,0,0]=4 476 B14R1.677 CC(=CCSCc1ccc(cc1)Br)C 62a_100000189115_100000761012 [2,0,0,0,0,0|2,0,0]=4 477 B14R1.677 CC(=CCSCc1ccc(cc1)Br)C 62a_100000761012_100000189115 [2,0,0,0,0,0|2,0,0]=4 478 B14R1.677 CC(=CCSCc1ccc(cc1)C)C 62a_100000210814_100000761012 [2,0,0,0,0,0|1,0,0]=3 479 B14R1.677 CC(=CCSCc1ccc(cc1)C)C 62a_100000761012_100000210814 [2,0,0,0,0,0|1,0,0]=3 480 B14R1.677 CC(=CCSCc1ccc(cc1)Cl)C 62a_100000187161_100000761012 [2,0,0,0,0,0|2,0,0]=4 481 B14R1.677 CC(=CCSCc1ccc(cc1)Cl)C 62a_100000761012_100000187161 [2,0,0,0,0,0|2,0,0]=4 482 B14R1.677 CC(=CCSCc1ccc(cc1)F)C 62a_100000198546_100000761012 [2,0,0,0,0,0|2,0,0]=4 483 B14R1.677 CC(=CCSCc1ccc(cc1)F)C 62a_100000761012_100000187164 [2,0,0,0,0,0|2,0,0]=4 484 B14R1.677 CC(=CCSCc1ccc(cc1)I)C 62a_100000189116_100000761012 [2,0,0,0,0,0|2,0,0]=4 485 B14R1.677 CC(=CCSCc1ccc(cc1)I)C 62a_100000761012_100000189116 [2,0,0,0,0,0|2,0,0]=4 486 B14R1.677 CC(=CCSCc1ccc(cn1)C)C 62a_100000691093_100000761012 [2,0,0,0,0,0|2,0,0]=4 487 B14R1.677 CC(=CCSCc1ccc(cn1)C)C 62a_100000761012_100000691093 [2,0,0,0,0,0|2,0,0]=4 488 B14R1.677 CC(=CCSCc1ccc(nc1)C)C 62a_100000761012_100016987292 [2,0,0,0,0,0|2,0,0]=4 489 B14R1.677 CC(=CCSCc1ccc(nc1)C)C 62a_100016987292_100000761012 [2,0,0,0,0,0|2,0,0]=4 490 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 11a_100011236272_100015343762 [2,0,0,0,0,0|2,0,0]=4 491 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 1626a_100011236272_100015343762 [2,0,0,0,0,0|2,0,0]=4 492 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 240690a_100011236272_100015343762 [2,0,0,0,0,0|2,0,0]=4 493 B14R1.677 CC(=O)NCCCc1ccc(cc1)C 527a_100011236272_100103153847 [2,0,0,0,0,0|2,0,0]=4 494 B14R1.677 Cc1ccc(cc1)CCCNC(C)C 2230a_100011236272_100000210206 [2,0,0,0,0,0|1,0,1]=4 495 B14R1.677 Cc1ccc(cc1)CCCNC(C)C 34a_100011236272_100000210206 [2,0,0,0,0,0|1,0,1]=4 496 B14R1.677 Cc1ccc(cc1)CCCOC(C)C 34a_100000189427_100000210206 [2,0,0,0,0,0|1,0,1]=4 497 B14R1.677 Cc1ccc(cc1)CCCOC(C)C 7a_100000189427_100000210206 [2,0,0,0,0,0|1,0,1]=4 498 B14R1.818 CC(=CC(=O)CCc1ccccc1)C 1458a_100000211388_100000765856 [2,0,0,0,0,0|0,0,2]=4 499 B14R1.818 CC(=CC(C)OCc1ccccc1)C 34a_100000717055_100015291786 [2,0,0,0,0,0|2,0,0]=4 500 B14R1.420 CC(=CCCC(=O)c1ccccc1)C 1458a_100000185807_100011217483 [2,0,0,0,0,0|1,0,1]=4 501 B14R1.420 CC(=CCCN(C)c1ccccc1)C 2230a_100000210012_100011217483 [2,0,0,0,0,0|1,0,0]=3 502 B14R1.420 CC(=CCCN(C)c1ccccc1)C 269982a_100000210012_100011217483 [2,0,0,0,0,0|1,0,0]=3 503 B14R1.420 CC(=CCCN(C)c1ccccc1)C 34a_100000210012_100011217483 [2,0,0,0,0,0|1,0,0]=3 504 B14R1.420 CC(=CCNC(C)c1ccccc1)C 34a_100000718196_100000211855 [2,0,0,0,0,0|1,0,0]=3 505 B14R1.420 CC(=CCNC(C)c1ccccn1)C 2230a_100000181244_100000761012 [2,0,0,0,0,0|2,0,0]=4 506 B14R1.420 CC(=CCNC(C)c1cccnc1)C 2230a_100000195435_100000761012 [2,0,0,0,0,0|2,0,0]=4 507 B14R1.420 CC(=CCNC(C)c1ccncc1)C 2230a_100000181269_100000761012 [2,0,0,0,0,0|2,0,0]=4 508 B14R1.420 CC(=CCN[C@H](C)c1ccccc1)C 2230a_100000751104_100000761012 [2,0,0,0,0,0|1,0,0]=3 509 B14R1.420 CC(=CCOC(C)c1ccccc1)C 34a_100000753907_100000211855 [2,0,0,0,0,0|1,0,0]=3 510 B14R1.420 CC(=CCO[C@H](C)c1ccccc1)C 34a_100000761318_100000761012 [2,0,0,0,0,0|1,0,0]=3 511 B14R1.420 CC(=CCO[C@H](C)c1ccccc1)C 7a_100000761318_100000761012 [2,0,0,0,0,0|1,0,0]=3 512 B14R1.420 CC(=CCSC(C)c1ccccc1)C 62a_100000230085_100000761012 [2,0,0,0,0,0|1,0,0]=3 513 B14R1.420 CC(=CCSC(C)c1ccccc1)C 62a_100000761012_100000230085 [2,0,0,0,0,0|1,0,0]=3 514 B16R1.78 C/C=C/CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100102629194 [1,1,0,0,0,0|0,0,2]=4 515 B16R1.78 CC=CCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000070051 [1,1,0,0,0,0|0,0,2]=4 516 B16R1.1124 C/C=C(\C)/C(C)N[C@H](C)c1ccc(cc1)C 269862a_100016988085_100020675665 [1,1,0,0,0,0|2,0,0]=4 517 B16R1.202 CC(=CC(C)OCc1ccc(cc1)CO)C 34a_100000717055_100000067286 [1,1,0,0,0,0|2,0,0]=4 518 B16R1.202 CCc1ccc(cc1)COC(C)C=C(C)C 34a_100000717055_100000747183 [1,1,0,0,0,0|2,0,0]=4 519 B16R1.202 COc1ccc(cc1)CCC(=O)C=C(C)C 1458a_100000211388_100000184700 [1,1,0,0,0,0|0,0,2]=4 520 B16R1.202 COc1ccc(cc1)COC(C)C=C(C)C 34a_100000717055_100000742318 [1,1,0,0,0,0|2,0,0]=4 521 B16R1.202 CSc1ccc(cc1)COC(C)C=C(C)C 34a_100000717055_100000181263 [1,1,0,0,0,0|2,0,0]=4 522 B16R1.850 CCC(=CC(=O)CCc1ccc(cc1)C)C 1458a_100020758463_100011713686 [1,1,0,0,0,0|0,0,2]=4 523 B16R1.7459 CC(=CC(C)OCc1ccc(cc1C)C)C 34a_100000717055_100011219618 [1,1,0,0,0,0|2,0,0]=4 524 B16R1.7459 CC(=CC(C)OCc1ccc(cc1Cl)C)C 34a_100000717055_100012349684 [1,1,0,0,0,0|2,0,0]=4 525 B16R1.7459 CC(=CC(C)OCc1ccc(cc1F)C)C 34a_100000717055_100012002367 [1,1,0,0,0,0|2,0,0]=4 526 B16R1.16534 CC(=CC(C)OCc1ccc(c(c1)Br)C)C 34a_100000717055_100012232412 [1,1,0,0,0,0|2,0,0]=4 527 B16R1.16534 CC(=CC(C)OCc1ccc(c(c1)C)C)C 34a_100000717055_100000742320 [1,1,0,0,0,0|2,0,0]=4 528 B16R1.16534 CC(=CC(C)OCc1ccc(c(c1)Cl)C)C 34a_100000717055_100011823929 [1,1,0,0,0,0|2,0,0]=4 529 B16R1.16534 CC(=CC(C)OCc1ccc(c(c1)F)C)C 34a_100000717055_100011217369 [1,1,0,0,0,0|2,0,0]=4 530 B16R1.16534 CC(=CC(C)OCc1ccc(c(c1)I)C)C 34a_100000717055_100010206137 [1,1,0,0,0,0|2,0,0]=4 531 B16R1.214 C=Cc1ccc(cc1)C(C)NCC=C(C)C 2230a_200012023546_100000761012 [1,1,0,0,0,0|1,0,1]=4 532 B16R1.214 C=Cc1ccc(cc1)C(C)NCC=C(C)C 34a_200012023546_100000761012 [1,1,0,0,0,0|1,0,1]=4 533 B16R1.214 CC(=CCCC(=O)c1ccc(cc1)CO)C 1458a_100000183892_100011217483 [1,1,0,0,0,0|1,0,1]=4 534 B16R1.214 CC(=CCCN(C)c1ccc(cc1)C#N)C 269982a_100000739737_100011217483 [1,1,0,0,0,0|1,0,1]=4 535 B16R1.214 CC(=CCCN(C)c1ccc(cc1)C#N)C 34a_100000739737_100011217483 [1,1,0,0,0,0|1,0,1]=4 536 B16R1.214 CC(=CCN[C@H](C)c1ccc(cc1)C#N)C 2230a_100016991473_100000761012 [1,1,0,0,0,0|1,0,1]=4 537 B16R1.214 CC(=CCN[C@H](C)c1ccc(cc1)C#N)C 34a_100016991473_100000761012 [1,1,0,0,0,0|1,0,1]=4 538 B16R1.214 CC(=CCOC(C)c1ccc(cc1)CN)C 34a_200000048501_100000761012 [1,1,0,0,0,0|1,0,0]=3 539 B16R1.214 CC(=CCO[C@@H](C)c1ccc(cc1)C#N)C 34a_100011852132_100000761012 [1,1,0,0,0,0|1,0,1]=4 540 B16R1.214 CC(=CCO[C@@H](C)c1ccc(cc1)C#N)C 7a_100011852132_100000761012 [1,1,0,0,0,0|1,0,1]=4 541 B16R1.214 CCc1ccc(cc1)C(=O)CCC=C(C)C 1458a_100000211226_100011217483 [1,1,0,0,0,0|1,0,1]=4 542 B16R1.214 CCc1ccc(cc1)C(C)NCC=C(C)C 2230a_100015186439_100000761012 [1,1,0,0,0,0|1,0,0]=3 543 B16R1.214 CCc1ccc(cc1)C(C)NCC=C(C)C 34a_100015186439_100000761012 [1,1,0,0,0,0|1,0,0]=3 544 B16R1.214 CCc1ccc(cc1)C(C)OCC=C(C)C 34a_100011232672_100000761012 [1,1,0,0,0,0|1,0,0]=3 545 B16R1.214 CCc1ccc(cc1)C(C)OCC=C(C)C 7a_100011232672_100000761012 [1,1,0,0,0,0|1,0,0]=3 546 B16R1.214 COc1ccc(cc1)C(=O)CCC=C(C)C 1458a_100000184203_100011217483 [1,1,0,0,0,0|1,0,1]=4 547 B16R1.214 COc1ccc(cc1)C(C)OCC=C(C)C 34a_100000742907_100000761012 [1,1,0,0,0,0|1,0,0]=3 548 B16R1.214 COc1ccc(cc1)C(C)OCC=C(C)C 7a_100000742907_100000761012 [1,1,0,0,0,0|1,0,0]=3 549 B16R1.214 COc1ccc(cc1)N(C)CCC=C(C)C 2230a_100000220023_100011217483 [1,1,0,0,0,0|1,0,0]=3 550 B16R1.214 COc1ccc(cc1)N(C)CCC=C(C)C 269982a_100000220023_100011217483 [1,1,0,0,0,0|1,0,0]=3 551 B16R1.214 COc1ccc(cc1)N(C)CCC=C(C)C 34a_100000220023_100011217483 [1,1,0,0,0,0|1,0,0]=3 552 B16R1.214 COc1ccc(cc1)[C@@H](C)NCC=C(C)C 2230a_100011830352_100000761012 [1,1,0,0,0,0|1,0,0]=3 553 B16R1.214 CSc1ccc(cc1)C(=O)CCC=C(C)C 1458a_100000189692_100011217483 [1,1,0,0,0,0|1,0,1]=4 554 B16R1.214 CSc1ccc(cc1)C(C)NCC=C(C)C 2230a_100000738722_100000761012 [1,1,0,0,0,0|1,0,0]=3 555 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)Br)C 1458a_100011220947_100000755118 [1,1,0,0,0,0|1,0,1]=4 556 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)C)C 1458a_100000751627_100000761012 [1,1,0,0,0,0|0,0,1]=3 557 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)C)C 1458a_100011220947_100011261388 [1,1,0,0,0,0|0,0,1]=3 558 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)Cl)C 1458a_100011216001_100000761012 [1,1,0,0,0,0|1,0,1]=4 559 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)Cl)C 1458a_100011220947_100000684792 [1,1,0,0,0,0|1,0,1]=4 560 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)F)C 1458a_100011220947_100000743420 [1,1,0,0,0,0|1,0,1]=4 561 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)F)C 1458a_100011435297_100000761012 [1,1,0,0,0,0|1,0,1]=4 562 B16R1.1027 CC(=CCC(=O)C(C)c1ccc(cc1)O)C 1458a_100000031422_100000761012 [1,1,0,0,0,0|1,0,1]=4 563 B16R1.1027 CC(=CCC(=O)N(C)c1ccc(cc1)C)C 11a_100000219977_100011220947 [1,1,0,0,0,0|1,0,1]=4 564 B16R1.1027 CC(=CCC(=O)N(C)c1ccc(cc1)C)C 1626a_100000219977_100011220947 [1,1,0,0,0,0|1,0,1]=4 565 B16R1.1027 CC(=CCC(=O)N(C)c1ccc(cc1)C)C 22a_100000219977_100011220947 [1,1,0,0,0,0|1,0,1]=4 566 B16R1.1027 CC(=CCC(=O)[C@H](O)c1ccc(cc1)C)C 1458a_100009815954_100000761012 [1,1,0,0,0,0|1,0,1]=4 567 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)Br)C 2230a_100000231103_100000761012 [1,1,0,0,0,0|2,0,0]=4 568 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)Br)C 269982a_100000231103_100000761012 [1,1,0,0,0,0|2,0,0]=4 569 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)Cl)C 2230a_100000231102_100000761012 [1,1,0,0,0,0|2,0,0]=4 570 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)Cl)C 269982a_100000231102_100000761012 [1,1,0,0,0,0|2,0,0]=4 571 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)F)C 2230a_100000222788_100000761012 [1,1,0,0,0,0|2,0,0]=4 572 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)F)C 269982a_100000222788_100000761012 [1,1,0,0,0,0|2,0,0]=4 573 B16R1.1027 CC(=CCN(C)C(C)c1ccc(cc1)F)C 34a_100000222788_100000761012 [1,1,0,0,0,0|2,0,0]=4 574 B16R1.1039 CC(=O)C(=O)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011261029 [1,1,0,0,0,0|2,0,0]=4 575 B16R1.1039 CC(=O)C(=O)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011261029 [1,1,0,0,0,0|2,0,0]=4 576 B16R1.1039 CC(=O)C(=O)CSC(C)c1ccc(cc1)C 62a_100011261029_100011261388 [1,1,0,0,0,0|2,0,0]=4 577 B16R1.1039 CC(=O)C(=O)CSC(C)c1ccc(cc1)C 62a_100011261388_100011261029 [1,1,0,0,0,0|2,0,0]=4 578 B16R1.1039 Cc1ccc(cc1)C(C)NCC(=O)N(C)C 2230a_100015183351_100011261388 [1,1,0,0,0,0|2,0,0]=4 579 B16R1.1039 Cc1ccc(cc1)C(C)SCC(=O)C(C)C 62a_100000753385_100011261388 [1,1,0,0,0,0|1,0,1]=4 580 B16R1.1039 Cc1ccc(cc1)C(C)SCC(=O)C(C)C 62a_100011261388_100000753385 [1,1,0,0,0,0|1,0,1]=4 581 B16R1.1039 Cc1ccc(cc1)C(C)SCC(=O)N(C)C 62a_100000692301_100011261388 [1,1,0,0,0,0|2,0,0]=4 582 B16R1.1039 Cc1ccc(cc1)C(C)SCC(=O)N(C)C 62a_100011261388_100000692301 [1,1,0,0,0,0|2,0,0]=4 583 B16R1.1039 Cc1ccc(cc1)N(C)CCC(=O)N(C)C 2230a_100000219977_100000737620 [1,1,0,0,0,0|2,0,0]=4 584 B16R1.1039 Cc1ccc(cc1)N(C)CCC(=O)N(C)C 269982a_100000219977_100000737620 [1,1,0,0,0,0|2,0,0]=4 585 B16R1.1039 Cc1ccc(cc1)[C@@H](C)NCC(=O)C(C)C 2230a_100016988085_100000753385 [1,1,0,0,0,0|1,0,1]=4 586 B16R1.1039 Cc1ccc(cc1)[C@@H](C)NCC(=O)C(C)C 34a_100016988085_100000753385 [1,1,0,0,0,0|1,0,1]=4 587 B16R1.1039 Cc1ccc(cc1)[C@@H](C)NCC(=O)N(C)C 2230a_100016988085_100000185267 [1,1,0,0,0,0|2,0,0]=4 588 B16R1.1039 Cc1ccc(cc1)[C@@H](C)NCC(=O)N(C)C 34a_100016988085_100000692301 [1,1,0,0,0,0|2,0,0]=4 589 B16R1.1039 Cc1ccc(cc1)[C@@H](C)OCC(=O)C(C)C 34a_100000690690_100000753385 [1,1,0,0,0,0|1,0,1]=4 590 B16R1.1039 Cc1ccc(cc1)[C@@H](C)OCC(=O)C(C)C 7a_100000690690_100000753385 [1,1,0,0,0,0|1,0,1]=4 591 B16R1.1039 Cc1ccc(cc1)[C@@H](C)OCC(=O)N(C)C 34a_100000690690_100000692301 [1,1,0,0,0,0|2,0,0]=4 592 B16R1.1039 Cc1ccc(cc1)[C@@H](C)OCC(=O)N(C)C 7a_100000690690_100000692301 [1,1,0,0,0,0|2,0,0]=4 593 B16R1.1050 CC(=CCNC(C)(C)c1ccc(cc1)Br)C 2230a_100000739617_100000761012 [1,1,0,0,0,0|2,0,0]=4 594 B16R1.1050 CC(=CCNC(C)(C)c1ccc(cc1)C)C 2230a_200011345931_100000761012 [1,1,0,0,0,0|1,0,0]=3 595 B16R1.1050 CC(=CCNC(C)(C)c1ccc(cc1)C)C 34a_200011345931_100000761012 [1,1,0,0,0,0|1,0,0]=3 596 B16R1.1050 CC(=CCNC(C)(C)c1ccc(cc1)Cl)C 2230a_100000750703_100000761012 [1,1,0,0,0,0|2,0,0]=4 597 B16R1.1050 CC(=CCNC(C)(C)c1ccc(cc1)F)C 2230a_100015193028_100000761012 [1,1,0,0,0,0|2,0,0]=4 598 B16R1.1050 CC(=CCNC(C)(C)c1ccc(cc1)F)C 34a_100015193028_100000761012 [1,1,0,0,0,0|2,0,0]=4 599 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)Br)C 34a_100000753367_100000761012 [1,1,0,0,0,0|2,0,0]=4 600 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)Br)C 7a_100000753367_100000761012 [1,1,0,0,0,0|2,0,0]=4 601 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)C)C 34a_200011345916_100000761012 [1,1,0,0,0,0|1,0,0]=3 602 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)C)C 7a_200011345916_100000761012 [1,1,0,0,0,0|1,0,0]=3 603 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)Cl)C 34a_100000750429_100000761012 [1,1,0,0,0,0|2,0,0]=4 604 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)Cl)C 7a_100000750429_100000761012 [1,1,0,0,0,0|2,0,0]=4 605 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)F)C 34a_100011219992_100000761012 [1,1,0,0,0,0|2,0,0]=4 606 B16R1.1050 CC(=CCOC(C)(C)c1ccc(cc1)F)C 7a_100011219992_100000761012 [1,1,0,0,0,0|2,0,0]=4 607 B16R1.1091 CC(=CCCC(=O)c1ccc(c(c1)Br)C)C 1458a_100000186397_100011217483 [1,1,0,0,0,0|1,0,1]=4 608 B16R1.1091 CC(=CCCC(=O)c1ccc(c(c1)C)C)C 1458a_100000210898_100011217483 [1,1,0,0,0,0|1,0,1]=4 609 B16R1.1091 CC(=CCCC(=O)c1ccc(c(c1)Cl)C)C 1458a_100000751740_100011217483 [1,1,0,0,0,0|1,0,1]=4 610 B16R1.1091 CC(=CCCC(=O)c1ccc(c(c1)F)C)C 1458a_100000212313_100011217483 [1,1,0,0,0,0|1,0,1]=4 611 B16R1.1091 CC(=CCCC(=O)c1ccc(c(c1)I)C)C 1458a_100000751299_100011217483 [1,1,0,0,0,0|1,0,1]=4 612 B16R1.1091 CC(=CCCC(=O)c1ccc(c(c1)O)C)C 1458a_100000233767_100011217483 [1,1,0,0,0,0|1,0,1]=4 613 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Br)C)C 2230a_100000707694_100011217483 [1,1,0,0,0,0|1,0,0]=3 614 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Br)C)C 269982a_100000707694_100011217483 [1,1,0,0,0,0|1,0,0]=3 615 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Br)C)C 34a_100000707694_100011217483 [1,1,0,0,0,0|1,0,0]=3 616 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)Br)C 2230a_100102888905_100011217483 [1,1,0,0,0,0|2,0,0]=4 617 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)Br)C 269982a_100102888905_100011217483 [1,1,0,0,0,0|2,0,0]=4 618 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)Br)C 34a_100102888905_100011217483 [1,1,0,0,0,0|2,0,0]=4 619 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)Cl)C 2230a_114849113799_100011217483 [1,1,0,0,0,0|2,0,0]=4 620 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)Cl)C 269982a_114849113799_100011217483 [1,1,0,0,0,0|2,0,0]=4 621 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)Cl)C 34a_114849113799_100011217483 [1,1,0,0,0,0|2,0,0]=4 622 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)F)C 2230a_100011756966_100011217483 [1,1,0,0,0,0|2,0,0]=4 623 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)F)C 269982a_100011756966_100011217483 [1,1,0,0,0,0|2,0,0]=4 624 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)F)C 34a_100011756966_100011217483 [1,1,0,0,0,0|2,0,0]=4 625 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)C)F)C 7a_100011756966_100011217483 [1,1,0,0,0,0|2,0,0]=4 626 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)C)C 2230a_100000220120_100011217483 [1,1,0,0,0,0|1,0,0]=3 627 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)C)C 269982a_100000220120_100011217483 [1,1,0,0,0,0|1,0,0]=3 628 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)C)C 34a_100000220120_100011217483 [1,1,0,0,0,0|1,0,0]=3 629 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)Cl)C 2230a_100000219944_100011217483 [1,1,0,0,0,0|2,0,0]=4 630 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)Cl)C 269982a_100000219944_100011217483 [1,1,0,0,0,0|2,0,0]=4 631 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)Cl)C 34a_100000219944_100011217483 [1,1,0,0,0,0|2,0,0]=4 632 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)F)C 2230a_100000697440_100011217483 [1,1,0,0,0,0|2,0,0]=4 633 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)F)C 269982a_100000697440_100011217483 [1,1,0,0,0,0|2,0,0]=4 634 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)F)C 34a_100000697440_100011217483 [1,1,0,0,0,0|2,0,0]=4 635 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)Cl)F)C 7a_100000697440_100011217483 [1,1,0,0,0,0|2,0,0]=4 636 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)Br)C 2230a_100012285320_100011217483 [1,1,0,0,0,0|2,0,0]=4 637 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)Br)C 269982a_100012285320_100011217483 [1,1,0,0,0,0|2,0,0]=4 638 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)Br)C 34a_100012285320_100011217483 [1,1,0,0,0,0|2,0,0]=4 639 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)Br)C 7a_100012285320_100011217483 [1,1,0,0,0,0|2,0,0]=4 640 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)C)C 2230a_100160572069_100011217483 [1,1,0,0,0,0|1,0,0]=3 641 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)C)C 269982a_100160572069_100011217483 [1,1,0,0,0,0|1,0,0]=3 642 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)C)C 34a_100160572069_100011217483 [1,1,0,0,0,0|1,0,0]=3 643 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)C)C 7a_100160572069_100011217483 [1,1,0,0,0,0|1,0,0]=3 644 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)F)C 2230a_100000221014_100011217483 [1,1,0,0,0,0|2,0,0]=4 645 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)F)C 269982a_100000221014_100011217483 [1,1,0,0,0,0|2,0,0]=4 646 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)F)C 34a_100000221014_100011217483 [1,1,0,0,0,0|2,0,0]=4 647 B16R1.1091 CC(=CCCN(C)c1ccc(c(c1)F)F)C 7a_100000221014_100011217483 [1,1,0,0,0,0|2,0,0]=4 648 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)C)F)C 2230a_100000705826_100000761012 [1,1,0,0,0,0|2,0,0]=4 649 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)C)F)C 34a_100000705826_100000761012 [1,1,0,0,0,0|2,0,0]=4 650 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)Cl)C)C 2230a_100012005020_100000761012 [1,1,0,0,0,0|1,0,0]=3 651 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)Cl)C)C 34a_100012005020_100000761012 [1,1,0,0,0,0|1,0,0]=3 652 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)Cl)Cl)C 2230a_100000743459_100000761012 [1,1,0,0,0,0|2,0,0]=4 653 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)Cl)Cl)C 34a_100000743459_100000761012 [1,1,0,0,0,0|2,0,0]=4 654 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)F)F)C 2230a_100000756309_100000761012 [1,1,0,0,0,0|2,0,0]=4 655 B16R1.1091 CC(=CCNC(C)c1ccc(c(c1)F)F)C 34a_100000756309_100000761012 [1,1,0,0,0,0|2,0,0]=4 656 B16R1.1091 CC(=CCN[C@@H](C)c1ccc(c(c1)Br)F)C 2230a_100000753309_100000761012 [1,1,0,0,0,0|2,0,0]=4 657 B16R1.1091 CC(=CCN[C@@H](C)c1ccc(c(c1)Br)F)C 34a_100000753309_100000761012 [1,1,0,0,0,0|2,0,0]=4 658 B16R1.1091 CC(=CCN[C@@H](C)c1ccc(c(c1)F)Br)C 2230a_100134618348_100000761012 [1,1,0,0,0,0|2,0,0]=4 659 B16R1.1091 CC(=CCN[C@@H](C)c1ccc(c(c1)F)Br)C 34a_100134618348_100000761012 [1,1,0,0,0,0|2,0,0]=4 660 B16R1.1091 CC(=CCN[C@@H](C)c1ccc(c(c1)F)C)C 2230a_100011997884_100000761012 [1,1,0,0,0,0|1,0,0]=3 661 B16R1.1091 CC(=CCN[C@@H](C)c1ccc(c(c1)F)C)C 34a_100011997884_100000761012 [1,1,0,0,0,0|1,0,0]=3 662 B16R1.1091 CC(=CCN[C@H](C)c1ccc(c(c1)C)C)C 2230a_100015184928_100000761012 [1,1,0,0,0,0|1,0,0]=3 663 B16R1.1091 CC(=CCN[C@H](C)c1ccc(c(c1)C)C)C 34a_100015184928_100000761012 [1,1,0,0,0,0|1,0,0]=3 664 B16R1.1091 CC(=CCN[C@H](C)c1ccc(c(c1)Cl)F)C 2230a_100016987892_100000761012 [1,1,0,0,0,0|2,0,0]=4 665 B16R1.1091 CC(=CCN[C@H](C)c1ccc(c(c1)Cl)F)C 34a_100016987892_100000761012 [1,1,0,0,0,0|2,0,0]=4 666 B16R1.1091 CC(=CCN[C@H](C)c1ccc(c(c1)F)Cl)C 2230a_100016987903_100000761012 [1,1,0,0,0,0|2,0,0]=4 667 B16R1.1091 CC(=CCN[C@H](C)c1ccc(c(c1)F)Cl)C 34a_100016987903_100000761012 [1,1,0,0,0,0|2,0,0]=4 668 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)Br)F)C 34a_100011191524_100000761012 [1,1,0,0,0,0|2,0,0]=4 669 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)Br)F)C 7a_100011191524_100000761012 [1,1,0,0,0,0|2,0,0]=4 670 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)Cl)Cl)C 34a_100000742046_100000761012 [1,1,0,0,0,0|2,0,0]=4 671 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)Cl)Cl)C 7a_100000742046_100000761012 [1,1,0,0,0,0|2,0,0]=4 672 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)F)Cl)C 34a_100011944057_100000761012 [1,1,0,0,0,0|2,0,0]=4 673 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)F)Cl)C 7a_100011944057_100000761012 [1,1,0,0,0,0|2,0,0]=4 674 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)F)F)C 34a_100000246517_100000761012 [1,1,0,0,0,0|2,0,0]=4 675 B16R1.1091 CC(=CCOC(C)c1ccc(c(c1)F)F)C 7a_100000246517_100000761012 [1,1,0,0,0,0|2,0,0]=4 676 B16R1.1142 C#C/C(=C\COC(C)c1ccc(cc1)C)/C 34a_100016990848_100011261388 [1,1,0,0,0,0|1,0,1]=4 677 B16R1.6618 CC(=CCNC(CO)c1ccc(cc1)Br)C 2230a_100000734186_100000761012 [1,1,0,0,0,0|2,0,0]=4 678 B16R1.6618 CC(=CCNC(CO)c1ccc(cc1)Br)C 34a_100000734186_100000761012 [1,1,0,0,0,0|2,0,0]=4 679 B16R1.6618 CC(=CCNC(CO)c1ccc(cc1)F)C 2230a_100000705410_100000761012 [1,1,0,0,0,0|2,0,0]=4 680 B16R1.6618 CC(=CCNC(CO)c1ccc(cc1)F)C 34a_100000705410_100000761012 [1,1,0,0,0,0|2,0,0]=4 681 B16R1.6618 CC(=CCN[C@@H](CO)c1ccc(cc1)C)C 2230a_100009818840_100000761012 [1,1,0,0,0,0|1,0,0]=3 682 B16R1.6618 CC(=CCN[C@@H](CO)c1ccc(cc1)C)C 34a_100009818840_100000761012 [1,1,0,0,0,0|1,0,0]=3 683 B16R1.6618 CC(=CCN[C@H](CO)c1ccc(cc1)Cl)C 2230a_100009818818_100000761012 [1,1,0,0,0,0|2,0,0]=4 684 B16R1.6618 CC(=CCN[C@H](CO)c1ccc(cc1)Cl)C 34a_100009818818_100000761012 [1,1,0,0,0,0|2,0,0]=4 685 B16R1.6618 CC(=CCOC(CCl)c1ccc(cc1)Cl)C 34a_200011996143_100000761012 [1,1,0,0,0,0|2,0,0]=4 686 B16R1.6618 CC(=CCOC(CCl)c1ccc(cc1)Cl)C 7a_200011996143_100000761012 [1,1,0,0,0,0|2,0,0]=4 687 B16R1.6618 CC(=CCOC(CN)c1ccc(cc1)Br)C 34a_100020626992_100000761012 [1,1,0,0,0,0|2,0,0]=4 688 B16R1.6618 CC(=CCOC(CN)c1ccc(cc1)Cl)C 34a_100000736658_100000761012 [1,1,0,0,0,0|2,0,0]=4 689 B16R1.6618 CC(=CCO[C@@H](C#N)c1ccc(cc1)C)C 34a_200009814964_100000761012 [1,1,0,0,0,0|1,0,1]=4 690 B16R1.6618 CC(=CCO[C@@H](C#N)c1ccc(cc1)C)C 7a_200009814964_100000761012 [1,1,0,0,0,0|1,0,1]=4 691 B16R1.6618 CC(=CCO[C@@H](CCl)c1ccc(cc1)F)C 34a_100000720402_100000761012 [1,1,0,0,0,0|2,0,0]=4 692 B16R1.6618 CC(=CCO[C@@H](CCl)c1ccc(cc1)F)C 7a_100000720402_100000761012 [1,1,0,0,0,0|2,0,0]=4 693 B16R1.6618 CCC(NCC=C(C)C)c1ccc(cc1)C 2230a_100000749201_100000761012 [1,1,0,0,0,0|1,0,0]=3 694 B16R1.6618 CCC(NCC=C(C)C)c1ccc(cc1)C 34a_100000749201_100000761012 [1,1,0,0,0,0|1,0,0]=3 695 B16R1.6618 CCC(NCC=C(C)C)c1ccc(cc1)F 2230a_100011191751_100000761012 [1,1,0,0,0,0|2,0,0]=4 696 B16R1.6618 CCC(NCC=C(C)C)c1ccc(cc1)F 34a_100011191751_100000761012 [1,1,0,0,0,0|2,0,0]=4 697 B16R1.6618 CCC(NCC=C(C)C)c1ccc(cc1)O 34a_100015187210_100000761012 [1,1,0,0,0,0|2,0,0]=4 698 B16R1.6618 CCC(NCC=C(C)C)c1ccc(cn1)C 2230a_100015185231_100000761012 [1,1,0,0,0,0|2,0,0]=4 699 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)Br 34a_100000246506_100000761012 [1,1,0,0,0,0|2,0,0]=4 700 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)Br 7a_100000246506_100000761012 [1,1,0,0,0,0|2,0,0]=4 701 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)C 34a_100000246521_100000761012 [1,1,0,0,0,0|1,0,0]=3 702 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)C 7a_100000246521_100000761012 [1,1,0,0,0,0|1,0,0]=3 703 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)Cl 34a_100000246471_100000761012 [1,1,0,0,0,0|2,0,0]=4 704 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)Cl 7a_100000246471_100000761012 [1,1,0,0,0,0|2,0,0]=4 705 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)F 34a_100000246474_100000761012 [1,1,0,0,0,0|2,0,0]=4 706 B16R1.6618 CCC(OCC=C(C)C)c1ccc(cc1)F 7a_100000246474_100000761012 [1,1,0,0,0,0|2,0,0]=4 707 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)Br 2230a_100000219632_100011217483 [1,1,0,0,0,0|2,0,0]=4 708 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)Br 269982a_100000219632_100011217483 [1,1,0,0,0,0|2,0,0]=4 709 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)Br 34a_100000219632_100011217483 [1,1,0,0,0,0|2,0,0]=4 710 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)C 2230a_100000219985_100011217483 [1,1,0,0,0,0|1,0,0]=3 711 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)C 269982a_100000219985_100011217483 [1,1,0,0,0,0|1,0,0]=3 712 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)C 34a_100000219985_100011217483 [1,1,0,0,0,0|1,0,0]=3 713 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)Cl 2230a_100000220165_100011217483 [1,1,0,0,0,0|2,0,0]=4 714 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)Cl 269982a_100000220165_100011217483 [1,1,0,0,0,0|2,0,0]=4 715 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)Cl 34a_100000220165_100011217483 [1,1,0,0,0,0|2,0,0]=4 716 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)F 2230a_100102640331_100011217483 [1,1,0,0,0,0|2,0,0]=4 717 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)F 269982a_100102640331_100011217483 [1,1,0,0,0,0|2,0,0]=4 718 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)F 34a_100102640331_100011217483 [1,1,0,0,0,0|2,0,0]=4 719 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)O 2230a_100011337800_100011217483 [1,1,0,0,0,0|2,0,0]=4 720 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)O 269982a_100011337800_100011217483 [1,1,0,0,0,0|2,0,0]=4 721 B16R1.6618 CCN(CCC=C(C)C)c1ccc(cc1)O 34a_100011337800_100011217483 [1,1,0,0,0,0|2,0,0]=4 722 B16R1.6618 CC[C@H](NCC=C(C)C)c1ccc(cc1)Br 2230a_100025736560_100000761012 [1,1,0,0,0,0|2,0,0]=4 723 B16R1.6618 CC[C@H](NCC=C(C)C)c1ccc(cc1)Br 34a_100025736560_100000761012 [1,1,0,0,0,0|2,0,0]=4 724 B16R1.6618 CC[C@H](NCC=C(C)C)c1ccc(cc1)Cl 2230a_100015186824_100000761012 [1,1,0,0,0,0|2,0,0]=4 725 B16R1.6618 CC[C@H](NCC=C(C)C)c1ccc(cc1)Cl 34a_100015186824_100000761012 [1,1,0,0,0,0|2,0,0]=4 726 B16R1.11442 CC(=CCCC(=O)c1ccc(cc1Br)C)C 1458a_100000685072_100011217483 [1,1,0,0,0,0|1,0,1]=4 727 B16R1.11442 CC(=CCCC(=O)c1ccc(cc1C)C)C 1458a_100000211164_100011217483 [1,1,0,0,0,0|1,0,1]=4 728 B16R1.11442 CC(=CCCC(=O)c1ccc(cc1Cl)C)C 1458a_100000766932_100011217483 [1,1,0,0,0,0|1,0,1]=4 729 B16R1.11442 CC(=CCCC(=O)c1ccc(cc1F)C)C 1458a_100000766033_100011217483 [1,1,0,0,0,0|1,0,1]=4 730 B16R1.11442 CC(=CCCC(=O)c1ccc(cc1I)C)C 1458a_100009999607_100011217483 [1,1,0,0,0,0|1,0,1]=4 731 B16R1.11442 CC(=CCCC(=O)c1ccc(cc1O)C)C 1458a_100000212137_100011217483 [1,1,0,0,0,0|1,0,1]=4 732 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)Br)C 269982a_200000221195_100011217483 [1,1,0,0,0,0|2,0,0]=4 733 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)Br)C 34a_200000221195_100011217483 [1,1,0,0,0,0|2,0,0]=4 734 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)C)C 2230a_100000221369_100011217483 [1,1,0,0,0,0|1,0,0]=3 735 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)C)C 269982a_100000221369_100011217483 [1,1,0,0,0,0|1,0,0]=3 736 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)C)C 34a_100000221369_100011217483 [1,1,0,0,0,0|1,0,0]=3 737 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)Cl)C 269982a_100020633009_100011217483 [1,1,0,0,0,0|2,0,0]=4 738 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)Cl)C 34a_100020633009_100011217483 [1,1,0,0,0,0|2,0,0]=4 739 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)F)C 269982a_100011246292_100011217483 [1,1,0,0,0,0|2,0,0]=4 740 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Br)F)C 34a_100011246292_100011217483 [1,1,0,0,0,0|2,0,0]=4 741 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)Br)C 2230a_100000221803_100011217483 [1,1,0,0,0,0|2,0,0]=4 742 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)Br)C 269982a_100000221803_100011217483 [1,1,0,0,0,0|2,0,0]=4 743 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)Br)C 34a_100000221803_100011217483 [1,1,0,0,0,0|2,0,0]=4 744 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)Cl)C 2230a_114849113698_100011217483 [1,1,0,0,0,0|2,0,0]=4 745 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)Cl)C 269982a_114849113698_100011217483 [1,1,0,0,0,0|2,0,0]=4 746 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)Cl)C 34a_114849113698_100011217483 [1,1,0,0,0,0|2,0,0]=4 747 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)O)C 269982a_100161107805_100011217483 [1,1,0,0,0,0|2,0,0]=4 748 B16R1.11442 CC(=CCCN(C)c1ccc(cc1C)O)C 34a_100161107805_100011217483 [1,1,0,0,0,0|2,0,0]=4 749 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Cl)Br)C 269982a_100000221650_100011217483 [1,1,0,0,0,0|2,0,0]=4 750 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Cl)Br)C 34a_100000221650_100011217483 [1,1,0,0,0,0|2,0,0]=4 751 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Cl)Cl)C 269982a_114849113696_100011217483 [1,1,0,0,0,0|2,0,0]=4 752 B16R1.11442 CC(=CCCN(C)c1ccc(cc1Cl)Cl)C 34a_114849113696_100011217483 [1,1,0,0,0,0|2,0,0]=4 753 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)Br)C 2230a_100000743884_100011217483 [1,1,0,0,0,0|2,0,0]=4 754 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)Br)C 269982a_100000743884_100011217483 [1,1,0,0,0,0|2,0,0]=4 755 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)Br)C 34a_100000743884_100011217483 [1,1,0,0,0,0|2,0,0]=4 756 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)F)C 2230a_100020633734_100011217483 [1,1,0,0,0,0|2,0,0]=4 757 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)F)C 269982a_100020633734_100011217483 [1,1,0,0,0,0|2,0,0]=4 758 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)F)C 34a_100020633734_100011217483 [1,1,0,0,0,0|2,0,0]=4 759 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)I)C 269982a_114948340911_100011217483 [1,1,0,0,0,0|2,0,0]=4 760 B16R1.11442 CC(=CCCN(C)c1ccc(cc1F)I)C 34a_114948340911_100011217483 [1,1,0,0,0,0|2,0,0]=4 761 B16R1.11442 CC(=CCNC(C)c1ccc(cc1Cl)Cl)C 2230a_100000179772_100000761012 [1,1,0,0,0,0|2,0,0]=4 762 B16R1.11442 CC(=CCNC(C)c1ccc(cc1Cl)Cl)C 34a_100000179772_100000761012 [1,1,0,0,0,0|2,0,0]=4 763 B16R1.11442 CC(=CCNC(C)c1ccc(cc1F)Br)C 2230a_100000730447_100000761012 [1,1,0,0,0,0|2,0,0]=4 764 B16R1.11442 CC(=CCNC(C)c1ccc(cc1F)Br)C 34a_100000730447_100000761012 [1,1,0,0,0,0|2,0,0]=4 765 B16R1.11442 CC(=CCNC(C)c1ccc(cc1F)F)C 2230a_100000181410_100000761012 [1,1,0,0,0,0|2,0,0]=4 766 B16R1.11442 CC(=CCNC(C)c1ccc(cc1F)F)C 34a_100000181410_100000761012 [1,1,0,0,0,0|2,0,0]=4 767 B16R1.11442 CC(=CCN[C@@H](C)c1ccc(cc1C)C)C 2230a_100000745882_100000761012 [1,1,0,0,0,0|1,0,0]=3 768 B16R1.11442 CC(=CCN[C@@H](C)c1ccc(cc1C)C)C 34a_100000745882_100000761012 [1,1,0,0,0,0|1,0,0]=3 769 B16R1.11442 CC(=CCN[C@@H](C)c1ccc(cc1C)Cl)C 2230a_100020633667_100000761012 [1,1,0,0,0,0|2,0,0]=4 770 B16R1.11442 CC(=CCN[C@@H](C)c1ccc(cc1C)Cl)C 34a_100020633667_100000761012 [1,1,0,0,0,0|2,0,0]=4 771 B16R1.11442 CC(=CCN[C@H](C)c1ccc(cc1Br)F)C 2230a_100025704064_100000761012 [1,1,0,0,0,0|2,0,0]=4 772 B16R1.11442 CC(=CCN[C@H](C)c1ccc(cc1Br)F)C 34a_100025704064_100000761012 [1,1,0,0,0,0|2,0,0]=4 773 B16R1.11442 CC(=CCN[C@H](C)c1ccc(cc1Cl)F)C 2230a_100015196781_100000761012 [1,1,0,0,0,0|2,0,0]=4 774 B16R1.11442 CC(=CCN[C@H](C)c1ccc(cc1Cl)F)C 34a_100015196781_100000761012 [1,1,0,0,0,0|2,0,0]=4 775 B16R1.11442 CC(=CCOC(C)c1ccc(cc1C)C)C 34a_100000246504_100000761012 [1,1,0,0,0,0|1,0,0]=3 776 B16R1.11442 CC(=CCOC(C)c1ccc(cc1C)C)C 7a_100000246504_100000761012 [1,1,0,0,0,0|1,0,0]=3 777 B16R1.11442 CC(=CCOC(C)c1ccc(cc1Cl)Cl)C 34a_100000743050_100000761012 [1,1,0,0,0,0|2,0,0]=4 778 B16R1.11442 CC(=CCOC(C)c1ccc(cc1Cl)Cl)C 7a_100000743050_100000761012 [1,1,0,0,0,0|2,0,0]=4 779 B16R1.11442 CC(=CCOC(C)c1ccc(cc1Cl)F)C 34a_200011245020_100000761012 [1,1,0,0,0,0|2,0,0]=4 780 B16R1.11442 CC(=CCOC(C)c1ccc(cc1Cl)F)C 7a_200011245020_100000761012 [1,1,0,0,0,0|2,0,0]=4 781 B16R1.11442 CC(=CCOC(C)c1ccc(cc1F)Cl)C 34a_200011805215_100000761012 [1,1,0,0,0,0|2,0,0]=4 782 B16R1.11442 CC(=CCOC(C)c1ccc(cc1F)Cl)C 7a_200011805215_100000761012 [1,1,0,0,0,0|2,0,0]=4 783 B16R1.11442 CC(=CCOC(C)c1ccc(cc1F)F)C 34a_200000246518_100000761012 [1,1,0,0,0,0|2,0,0]=4 784 B16R1.11442 CC(=CCOC(C)c1ccc(cc1F)F)C 7a_200000246518_100000761012 [1,1,0,0,0,0|2,0,0]=4 785 B16R1.847 CCC(=CC(=O)CC(C)c1ccccc1)C 1458a_100020758463_100000756946 [1,1,0,0,0,0|0,0,2]=4 786 B16R1.7437 CC(=CC(C)OC(C)c1ccccc1F)C 34a_100000717055_200000741388 [1,1,0,0,0,0|2,0,0]=4 787 B16R1.1128 CCC(=CC(=O)C(C)c1ccc(cc1)C)C 1458a_100020758463_100011261388 [0,1,0,0,1,0|0,0,2]=4 788 B16R1.621 Cc1ccc(cc1)C(C)N[C@@H](CO)C(C)C 2230a_100011830312_100011261388 [0,1,0,0,1,0|1,0,1]=4 789 B16R1.621 Cc1ccc(cc1)C(C)N[C@@H](CO)C(C)C 269862a_100011830312_100000185793 [0,1,0,0,1,0|1,0,1]=4 790 B16R1.621 Cc1ccc(cc1)C(C)N[C@@H](CO)C(C)C 34a_100011830312_100011261388 [0,1,0,0,1,0|1,0,1]=4 791 B18R1.986 CC(=CCC(=O)CC(C)(C)c1ccc(cc1)C)C 1458a_200000181290_100000761012 [0,1,0,0,0,1|0,0,2]=4 792 B18R1.32391 CC(=CC(C)OC(C)C(=O)c1ccc(cc1)C)C 34a_100000717055_100000726416 [0,1,0,0,0,1|2,0,0]=4 793 B18R1.286 CC(NCC(O)CN(C)C)c1ccc(cc1)CO 269862a_100000737402_100000082505 [0,1,0,0,0,1|1,0,1]=4 794 B18R1.286 CCc1ccc(cc1)C(C)NCC(O)CN(C)C 269862a_100000737402_100000211630 [0,1,0,0,0,1|1,0,1]=4 795 B18R1.286 CNc1ccc(cc1)C(C)NCC(O)CN(C)C 269862a_100000737402_100011806243 [0,1,0,0,0,1|1,0,1]=4 796 B18R1.286 COc1ccc(cc1)C(C)NCC(O)CN(C)C 269862a_100000737402_100000169859 [0,1,0,0,0,1|1,0,1]=4 797 B18R1.286 CSc1ccc(cc1)C(C)NCC(O)CN(C)C 269862a_100000737402_100000185071 [0,1,0,0,0,1|1,0,1]=4 798 B18R1.1094 COC(=O)C[C@@H](O)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000754131 [0,1,0,0,0,1|1,0,1]=4 799 B18R1.1094 COC(=O)C[C@@H](O)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000754131 [0,1,0,0,0,1|1,0,1]=4 800 B18R1.1094 COC(=O)C[C@@H](O)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000754131 [0,1,0,0,0,1|1,0,1]=4 801 B18R1.1094 COC(=O)C[C@@H](O)CSC(C)c1ccc(cc1)C 62a_100000754131_100011261388 [0,1,0,0,0,1|1,0,1]=4 802 B18R1.1094 COC(=O)C[C@@H](O)CSC(C)c1ccc(cc1)C 62a_100011261388_100000754131 [0,1,0,0,0,1|1,0,1]=4 803 B18R1.32416 Cc1ccc(cc1)C(C)SCC(O)C[N+](C)(C)C 62a_100000032816_100011261388 [0,1,0,0,0,1|1,0,1]=4 804 B18R1.32416 Cc1ccc(cc1)C(C)SCC(O)C[N+](C)(C)C 62a_100011261388_100000032816 [0,1,0,0,0,1|1,0,1]=4 805 B18R1.32416 Cc1ccc(cc1)[C@@H](C)NCC(O)C[N+](C)(C)C 2230a_100016988085_100000032816 [0,1,0,0,0,1|1,0,1]=4 806 B18R1.32416 Cc1ccc(cc1)[C@@H](C)NCC(O)C[N+](C)(C)C 34a_100016988085_100000032816 [0,1,0,0,0,1|1,0,1]=4 807 B18R1.32416 Cc1ccc(cc1)[C@@H](C)OCC(O)C[N+](C)(C)C 34a_100000690690_100000032816 [0,1,0,0,0,1|1,0,1]=4 808 B18R1.32416 Cc1ccc(cc1)[C@@H](C)OCC(O)C[N+](C)(C)C 7a_100000690690_100000032816 [0,1,0,0,0,1|1,0,1]=4 809 B18R1.32571 Cc1ccc(cc1Br)C(C)NCC(O)CN(C)C 269862a_100000737402_100011934287 [0,1,0,0,0,1|1,0,1]=4 810 B18R1.32571 Cc1ccc(cc1C)C(C)NCC(O)CN(C)C 269862a_100000737402_100000210971 [0,1,0,0,0,1|1,0,1]=4 811 B18R1.32571 Cc1ccc(cc1Cl)C(C)NCC(O)CN(C)C 269862a_100000737402_100012002458 [0,1,0,0,0,1|1,0,1]=4 812 B18R1.32571 Cc1ccc(cc1F)C(C)NCC(O)CN(C)C 269862a_100000737402_100000767010 [0,1,0,0,0,1|1,0,1]=4 813 B18R1.32571 Cc1ccc(cc1O)C(C)NCC(O)CN(C)C 269862a_100000737402_100000084092 [0,1,0,0,0,1|1,0,1]=4 814 B18R1.45681 Cc1ccc(cc1)C(C)NCC(CO)CC(C)C 269862a_200000723437_100000185793 [0,1,0,0,0,1|0,0,2]=4 815 B18R1.45681 Cc1ccc(cc1)C(C)NCC(CO)CC(C)C 34a_200000723437_100011261388 [0,1,0,0,0,1|0,0,2]=4 816 B18R1.45687 CCC(NCC(O)CN(C)C)c1ccc(cc1)C 269862a_100000737402_100000185863 [0,1,0,0,0,1|1,0,1]=4 817 B18R1.104395 Cc1ccc(c(c1)Br)C(C)NCC(O)CN(C)C 269862a_100000737402_100012353930 [0,1,0,0,0,1|1,0,1]=4 818 B18R1.104395 Cc1ccc(c(c1)C)C(C)NCC(O)CN(C)C 269862a_100000737402_100000211561 [0,1,0,0,0,1|1,0,1]=4 819 B18R1.104395 Cc1ccc(c(c1)F)C(C)NCC(O)CN(C)C 269862a_100000737402_100011216410 [0,1,0,0,0,1|1,0,1]=4 820 B18R1.104395 Cc1ccc(c(c1)O)C(C)NCC(O)CN(C)C 269862a_100000737402_100000234885 [0,1,0,0,0,1|1,0,1]=4 821 B18R2.3763 Cc1ccc(cc1)C(C)NCc2cc(no2)C 2230a_100000745748_100011261388 [0,0,0,1,0,1|1,0,1]=4 822 B18R2.3763 Cc1ccc(cc1)C(C)NCc2cc(no2)C 269862a_100000745748_100000185793 [0,0,0,1,0,1|1,0,1]=4 823 B18R2.3763 Cc1ccc(cc1)C(C)NCc2cc(no2)C 34a_100000745748_100011261388 [0,0,0,1,0,1|1,0,1]=4 824 B18R2.3763 Cc1ccc(cc1)C(C)OCc2cc(no2)C 34a_100000684692_100011261388 [0,0,0,1,0,1|1,0,1]=4 825 B18R2.3763 Cc1ccc(cc1)C(C)SCc2cc(no2)C 62a_100000707947_100011261388 [0,0,0,1,0,1|1,0,1]=4 826 B18R2.3763 Cc1ccc(cc1)C(C)SCc2cc(no2)C 62a_100011261388_100000707947 [0,0,0,1,0,1|1,0,1]=4 827 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NCc2cc(no2)C 207a_100016988085_100011794430 [0,0,0,1,0,1|1,0,1]=4 828 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NCc2cc(no2)C 2230a_100016988085_100000707947 [0,0,0,1,0,1|1,0,1]=4 829 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NCc2cc(no2)C 270004a_100016988085_100011794430 [0,0,0,1,0,1|1,0,1]=4 830 B18R2.3763 Cc1ccc(cc1)[C@@H](C)NCc2cc(no2)C 34a_100016988085_100000707947 [0,0,0,1,0,1|1,0,1]=4 831 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OCc2cc(no2)C 34a_100000690690_100000707947 [0,0,0,1,0,1|1,0,1]=4 832 B18R2.3763 Cc1ccc(cc1)[C@@H](C)OCc2cc(no2)C 7a_100000690690_100000707947 [0,0,0,1,0,1|1,0,1]=4 833 B18R2.252 CC1=CC(CCC1)OC(C)c2ccc(cc2)C 34a_100011218613_100011261388 [0,1,0,1,0,0|2,0,0]=4 834 B18R2.9109 CC1=CC(OC1=O)N[C@H](C)c2ccc(cc2)C 2230a_100016988085_200009893386 [0,1,0,1,0,0|1,0,1]=4 835 B18R2.9109 CC1=CC(OC1=O)SC(C)c2ccc(cc2)C 62a_100011261388_200009893386 [0,1,0,1,0,0|1,0,1]=4 836 B18R2.9109 CC1=CC(OC1=O)SC(C)c2ccc(cc2)C 62a_200009893386_100011261388 [0,1,0,1,0,0|1,0,1]=4 837 B14R1.35 CC=CC(=O)C(C)c1ccc(cc1)C 1458a_100000210699_100011261388 [1,0,0,0,1,0|0,0,2]=4 838 B14R1.698 CC(=CC(=O)Cc1ccc(cc1)C)C 1458a_100000211388_100000210814 [1,0,0,0,1,0|0,0,2]=4 839 B14R1.678 C=C(C)CCN(C)c1ccc(cc1)C 2230a_100000219977_100000730704 [1,0,0,0,1,0|1,0,1]=4 840 B14R1.678 C=C(C)CCN(C)c1ccc(cc1)C 269982a_100000219977_100000730704 [1,0,0,0,1,0|1,0,1]=4 841 B14R1.678 C=C(C)CCN(C)c1ccc(cc1)C 34a_100000219977_100000730704 [1,0,0,0,1,0|1,0,1]=4 842 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000748629 [1,0,0,0,1,0|1,0,1]=4 843 B14R1.678 C=C(C)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000748629 [1,0,0,0,1,0|1,0,1]=4 844 B14R1.678 C=C(C)COC(C)c1ccc(cc1)C 34a_100000210245_100011261388 [1,0,0,0,1,0|1,0,1]=4 845 B14R1.678 C=C(C)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000748629 [1,0,0,0,1,0|1,0,1]=4 846 B14R1.678 C=C(C)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000748629 [1,0,0,0,1,0|1,0,1]=4 847 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)C 62a_100000748629_100011261388 [1,0,0,0,1,0|1,0,1]=4 848 B14R1.678 C=C(C)CSC(C)c1ccc(cc1)C 62a_100011261388_100000211660 [1,0,0,0,1,0|1,0,1]=4 849 B14R1.678 CC(=CCC(=O)c1ccc(cc1)C)C 1458a_100000188618_100000761012 [1,0,0,0,1,0|1,0,1]=4 850 B14R1.678 CC(=CCN(C)c1ccc(cc1)Br)C 2230a_100000219623_100000761012 [1,0,0,0,1,0|2,0,0]=4 851 B14R1.678 CC(=CCN(C)c1ccc(cc1)Br)C 269982a_100000219623_100000761012 [1,0,0,0,1,0|2,0,0]=4 852 B14R1.678 CC(=CCN(C)c1ccc(cc1)Br)C 34a_100000219623_100000761012 [1,0,0,0,1,0|2,0,0]=4 853 B14R1.678 CC(=CCN(C)c1ccc(cc1)C)C 2230a_100000219977_100000761012 [1,0,0,0,1,0|1,0,0]=3 854 B14R1.678 CC(=CCN(C)c1ccc(cc1)C)C 269982a_100000219977_100000761012 [1,0,0,0,1,0|1,0,0]=3 855 B14R1.678 CC(=CCN(C)c1ccc(cc1)C)C 34a_100000219977_100000761012 [1,0,0,0,1,0|1,0,0]=3 856 B14R1.678 CC(=CCN(C)c1ccc(cc1)Cl)C 2230a_100020629279_100000761012 [1,0,0,0,1,0|2,0,0]=4 857 B14R1.678 CC(=CCN(C)c1ccc(cc1)Cl)C 269982a_100020629279_100000761012 [1,0,0,0,1,0|2,0,0]=4 858 B14R1.678 CC(=CCN(C)c1ccc(cc1)Cl)C 34a_100020629279_100000761012 [1,0,0,0,1,0|2,0,0]=4 859 B14R1.678 CC(=CCN(C)c1ccc(cc1)F)C 2230a_100000219829_100000761012 [1,0,0,0,1,0|2,0,0]=4 860 B14R1.678 CC(=CCN(C)c1ccc(cc1)F)C 269982a_100000219829_100000761012 [1,0,0,0,1,0|2,0,0]=4 861 B14R1.678 CC(=CCN(C)c1ccc(cc1)F)C 34a_100000219829_100000761012 [1,0,0,0,1,0|2,0,0]=4 862 B14R1.678 CC(=CCN(C)c1ccc(cc1)I)C 2230a_100000743151_100000761012 [1,0,0,0,1,0|2,0,0]=4 863 B14R1.678 CC(=CCN(C)c1ccc(cc1)I)C 269982a_100000743151_100000761012 [1,0,0,0,1,0|2,0,0]=4 864 B14R1.678 CC(=CCN(C)c1ccc(cc1)I)C 34a_100000743151_100000761012 [1,0,0,0,1,0|2,0,0]=4 865 B14R1.678 CC(=CCN(C)c1ccc(cc1)O)C 269982a_100000182112_100000761012 [1,0,0,0,1,0|2,0,0]=4 866 B14R1.678 CC(=CCN(C)c1ccc(cc1)O)C 34a_100000182112_100000761012 [1,0,0,0,1,0|2,0,0]=4 867 B14R1.678 CC(=O)CCN(C)c1ccc(cc1)C 269982a_100000219977_100000053229 [1,0,0,0,1,0|2,0,0]=4 868 B14R1.678 CC(=O)COC(C)c1ccc(cc1)C 34a_100000211253_100011261388 [1,0,0,0,1,0|2,0,0]=4 869 B14R1.678 Cc1ccc(cc1)C(C)NCC(C)C 2230a_100000210953_100011261388 [1,0,0,0,1,0|1,0,1]=4 870 B14R1.678 Cc1ccc(cc1)C(C)NCC(C)C 269862a_100000210953_100000185793 [1,0,0,0,1,0|1,0,1]=4 871 B14R1.678 Cc1ccc(cc1)C(C)NCC(C)C 34a_100000210953_100011261388 [1,0,0,0,1,0|1,0,1]=4 872 B14R1.678 Cc1ccc(cc1)C(C)OCC(C)C 34a_100000210257_100011261388 [1,0,0,0,1,0|1,0,1]=4 873 B14R1.678 Cc1ccc(cc1)C(C)SCC(C)C 62a_100000210624_100011261388 [1,0,0,0,1,0|1,0,1]=4 874 B14R1.678 Cc1ccc(cc1)C(C)SCC(C)C 62a_100011261388_100000210760 [1,0,0,0,1,0|1,0,1]=4 875 B14R1.678 Cc1ccc(cc1)N(C)CCC(C)C 2230a_100000219977_100000210312 [1,0,0,0,1,0|1,0,1]=4 876 B14R1.678 Cc1ccc(cc1)N(C)CCC(C)C 269982a_100000219977_100000210312 [1,0,0,0,1,0|1,0,1]=4 877 B14R1.678 Cc1ccc(cc1)N(C)CCC(C)C 34a_100000219977_100000210312 [1,0,0,0,1,0|1,0,1]=4 878 B14R1.678 Cc1ccc(cc1)N(C)CCN(C)C 269982a_100000219977_100000755713 [1,0,0,0,1,0|2,0,0]=4 879 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(C)C 2230a_100016988085_100000210760 [1,0,0,0,1,0|1,0,1]=4 880 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(C)C 270004a_100016988085_100000210432 [1,0,0,0,1,0|1,0,1]=4 881 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(C)C 34a_100016988085_100000210624 [1,0,0,0,1,0|1,0,1]=4 882 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 34a_100000690690_100000210624 [1,0,0,0,1,0|1,0,1]=4 883 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(C)C 7a_100000690690_100000210760 [1,0,0,0,1,0|1,0,1]=4 884 B14R1.417 CC(=CC(=O)C(C)c1ccccc1)C 1458a_100000211388_100000230085 [1,0,0,0,1,0|0,0,2]=4 885 B16R1.58 COCC(O)CNC(C)c1ccc(cc1)C 2230a_100000756049_100011261388 [1,0,0,0,0,1|1,0,1]=4 886 B16R1.58 COCC(O)CNC(C)c1ccc(cc1)C 269862a_100000756049_100000185793 [1,0,0,0,0,1|1,0,1]=4 887 B16R1.58 COCC(O)CNC(C)c1ccc(cc1)C 34a_100000756049_100011261388 [1,0,0,0,0,1|1,0,1]=4 888 B16R1.58 COCC(O)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011215053 [1,0,0,0,0,1|1,0,1]=4 889 B16R1.58 COCC(O)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011215053 [1,0,0,0,0,1|1,0,1]=4 890 B16R1.58 COCC(O)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100011215053 [1,0,0,0,0,1|1,0,1]=4 891 B16R1.58 COCC(O)CSC(C)c1ccc(cc1)C 62a_100011215053_100011261388 [1,0,0,0,0,1|1,0,1]=4 892 B16R1.58 COCC(O)CSC(C)c1ccc(cc1)C 62a_100011261388_100011215053 [1,0,0,0,0,1|1,0,1]=4 893 B16R1.76 CC(=CC(=O)CCOc1ccc(cc1)C)C 1458a_100000211388_100000183172 [1,0,0,0,0,1|0,0,2]=4 894 B16R1.76 CC(=CC(=O)NCCc1ccc(cc1)C)C 11a_100000705350_100000211388 [1,0,0,0,0,1|0,0,2]=4 895 B16R1.76 CC(=CC(=O)NCCc1ccc(cc1)C)C 1626a_100000705350_100000211388 [1,0,0,0,0,1|0,0,2]=4 896 B16R1.76 CC(=CC(=O)NCCc1ccc(cc1)C)C 240690a_100000705350_100000211388 [1,0,0,0,0,1|0,0,2]=4 897 B16R1.76 CC(=CC(C)OCCc1ccc(cc1)Br)C 34a_100000717055_100011740612 [1,0,0,0,0,1|2,0,0]=4 898 B16R1.76 CC(=CC(C)OCCc1ccc(cc1)C)C 34a_100000717055_100011713686 [1,0,0,0,0,1|1,0,0]=3 899 B16R1.76 CC(=CC(C)OCCc1ccc(cc1)Cl)C 34a_100000717055_100011713675 [1,0,0,0,0,1|2,0,0]=4 900 B16R1.76 CC(=CC(C)OCCc1ccc(cc1)F)C 34a_100000717055_100011217392 [1,0,0,0,0,1|2,0,0]=4 901 B16R1.1061 CC(=CCC(=O)CCc1ccc(cc1)C)C 1458a_100000234883_100000761012 [1,0,0,0,0,1|0,0,2]=4 902 B16R1.1061 CC(=CCC(=O)CCc1ccc(cc1)C)C 1458a_100011220947_100011713686 [1,0,0,0,0,1|0,0,2]=4 903 B16R1.1026 CC(=CCCNC(C)c1ccc(cn1)Br)C 2230a_100000723930_100011217483 [1,0,0,0,0,1|2,0,0]=4 904 B16R1.1026 CC(=CCCNC(C)c1ccc(nc1)C)C 2230a_100011815741_100011217483 [1,0,0,0,0,1|1,0,0]=3 905 B16R1.1026 CC(=CCCNC(C)c1ccc(nc1)C)C 34a_100011815741_100011217483 [1,0,0,0,0,1|1,0,0]=3 906 B16R1.1026 CC(=CCCN[C@@H](C)c1ccc(cc1)F)C 2230a_100025705893_100011217483 [1,0,0,0,0,1|1,0,0]=3 907 B16R1.1026 CC(=CCCN[C@@H](C)c1ccc(cc1)F)C 34a_100025705893_100011217483 [1,0,0,0,0,1|1,0,0]=3 908 B16R1.1026 CC(=CCCN[C@@H](C)c1ccc(cc1)I)C 2230a_100000753911_100011217483 [1,0,0,0,0,1|1,0,0]=3 909 B16R1.1026 CC(=CCCN[C@@H](C)c1ccc(cc1)O)C 2230a_100161106496_100011217483 [1,0,0,0,0,1|1,0,0]=3 910 B16R1.1026 CC(=CCCN[C@@H](C)c1ccc(nc1)Br)C 2230a_100015387476_100011217483 [1,0,0,0,0,1|2,0,0]=4 911 B16R1.1026 CC(=CCCN[C@H](C)c1ccc(cc1)Br)C 2230a_100000720352_100011217483 [1,0,0,0,0,1|1,0,0]=3 912 B16R1.1026 CC(=CCCN[C@H](C)c1ccc(cc1)C)C 2230a_100016988085_100011217483 [1,0,0,0,0,1|0,0,0]=2 913 B16R1.1026 CC(=CCCN[C@H](C)c1ccc(cc1)C)C 34a_100016988085_100011217483 [1,0,0,0,0,1|0,0,0]=2 914 B16R1.1026 CC(=CCCN[C@H](C)c1ccc(cc1)Cl)C 2230a_100015205461_100011217483 [1,0,0,0,0,1|1,0,0]=3 915 B16R1.1026 CC(=CCCN[C@H](C)c1ccc(cc1)Cl)C 34a_100015205461_100011217483 [1,0,0,0,0,1|1,0,0]=3 916 B16R1.1026 CC(=CCCOC(C)c1ccc(cc1)Br)C 34a_100000745893_100011217483 [1,0,0,0,0,1|1,0,0]=3 917 B16R1.1026 CC(=CCCOC(C)c1ccc(cc1)Br)C 7a_100000745893_100011217483 [1,0,0,0,0,1|1,0,0]=3 918 B16R1.1026 CC(=CCCOC(C)c1ccc(cc1)F)C 34a_100000181323_100011217483 [1,0,0,0,0,1|1,0,0]=3 919 B16R1.1026 CC(=CCCOC(C)c1ccc(cc1)F)C 7a_100000181323_100011217483 [1,0,0,0,0,1|1,0,0]=3 920 B16R1.1026 CC(=CCCOC(C)c1ccc(cc1)N)C 34a_100011216399_100011217483 [1,0,0,0,0,1|1,0,0]=3 921 B16R1.1026 CC(=CCCOC(C)c1ccc(cn1)Br)C 34a_100012353650_100011217483 [1,0,0,0,0,1|2,0,0]=4 922 B16R1.1026 CC(=CCCOC(C)c1ccc(cn1)Br)C 7a_100012353650_100011217483 [1,0,0,0,0,1|2,0,0]=4 923 B16R1.1026 CC(=CCCOC(C)c1ccc(nc1)Br)C 34a_200010274204_100011217483 [1,0,0,0,0,1|2,0,0]=4 924 B16R1.1026 CC(=CCCOC(C)c1ccc(nc1)Br)C 7a_200010274204_100011217483 [1,0,0,0,0,1|2,0,0]=4 925 B16R1.1026 CC(=CCCOC(C)c1ccc(nc1)C)C 34a_200011815720_100011217483 [1,0,0,0,0,1|1,0,0]=3 926 B16R1.1026 CC(=CCCOC(C)c1ccc(nc1)C)C 7a_200011815720_100011217483 [1,0,0,0,0,1|1,0,0]=3 927 B16R1.1026 CC(=CCCOC(C)c1ccc(nc1)Cl)C 34a_200012017543_100011217483 [1,0,0,0,0,1|2,0,0]=4 928 B16R1.1026 CC(=CCCOC(C)c1ccc(nc1)Cl)C 7a_200012017543_100011217483 [1,0,0,0,0,1|2,0,0]=4 929 B16R1.1026 CC(=CCCO[C@@H](C)c1ccc(cc1)Cl)C 34a_100011852131_100011217483 [1,0,0,0,0,1|1,0,0]=3 930 B16R1.1026 CC(=CCCO[C@@H](C)c1ccc(cc1)Cl)C 7a_100011852131_100011217483 [1,0,0,0,0,1|1,0,0]=3 931 B16R1.1026 CC(=CCCO[C@H](C)c1ccc(cc1)C)C 34a_100000690690_100011217483 [1,0,0,0,0,1|0,0,0]=2 932 B16R1.1026 CC(=CCCO[C@H](C)c1ccc(cc1)C)C 7a_100000690690_100011217483 [1,0,0,0,0,1|0,0,0]=2 933 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)Br)C 62a_100000755118_100011217483 [1,0,0,0,0,1|1,0,0]=3 934 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)Br)C 62a_100011217483_100000755118 [1,0,0,0,0,1|1,0,0]=3 935 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)C)C 62a_100011217483_100011261388 [1,0,0,0,0,1|0,0,0]=2 936 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)C)C 62a_100011261388_100011217483 [1,0,0,0,0,1|0,0,0]=2 937 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)Cl)C 62a_100000684792_100011217483 [1,0,0,0,0,1|1,0,0]=3 938 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)Cl)C 62a_100011217483_100000684792 [1,0,0,0,0,1|1,0,0]=3 939 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)F)C 62a_100000743420_100011217483 [1,0,0,0,0,1|1,0,0]=3 940 B16R1.1026 CC(=CCCSC(C)c1ccc(cc1)F)C 62a_100011217483_100000743420 [1,0,0,0,0,1|1,0,0]=3 941 B16R1.1026 CC(=CCNCC(=O)c1ccc(cc1)C)C 34a_100000718196_100000211441 [1,0,0,0,0,1|1,0,1]=4 942 B16R1.1026 CC(=CCNCC(C)c1ccc(cc1)O)C 34a_200015188644_100000761012 [1,0,0,0,0,1|1,0,0]=3 943 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Br)C 2230a_100020626992_100000761012 [1,0,0,0,0,1|2,0,0]=4 944 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Br)C 34a_100020626992_100000761012 [1,0,0,0,0,1|2,0,0]=4 945 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)C)C 2230a_200020610344_100000761012 [1,0,0,0,0,1|1,0,0]=3 946 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)C)C 34a_200020610344_100000761012 [1,0,0,0,0,1|1,0,0]=3 947 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Cl)C 2230a_100000736658_100000761012 [1,0,0,0,0,1|2,0,0]=4 948 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Cl)C 34a_100000718196_200011996143 [1,0,0,0,0,1|2,0,0]=4 949 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)Cl)C 34a_100000736658_100000761012 [1,0,0,0,0,1|2,0,0]=4 950 B16R1.1026 CC(=CCNCC(O)c1ccc(cc1)O)C 34a_100000067596_100000761012 [1,0,0,0,0,1|2,0,0]=4 951 B16R1.1026 CC(=CCNC[C@H](O)c1ccc(cc1)F)C 34a_100000718196_100000720402 [1,0,0,0,0,1|2,0,0]=4 952 B16R1.1026 CC(=CCOCC(=O)c1ccc(cc1)C)C 34a_100000753907_100000211441 [1,0,0,0,0,1|1,0,1]=4 953 B16R1.1026 CC(=CCOCC(N)c1ccc(cc1)Br)C 34a_100000734186_100000761012 [1,0,0,0,0,1|2,0,0]=4 954 B16R1.1026 CC(=CCOCC(N)c1ccc(cc1)F)C 34a_100000705410_100000761012 [1,0,0,0,0,1|2,0,0]=4 955 B16R1.1026 CC(=CCOCC(O)c1ccc(cc1)Cl)C 34a_100000753907_200011996143 [1,0,0,0,0,1|2,0,0]=4 956 B16R1.1026 CC(=CCOC[C@@H](N)c1ccc(cc1)Cl)C 34a_100009818818_100000761012 [1,0,0,0,0,1|2,0,0]=4 957 B16R1.1026 CC(=CCOC[C@H](N)c1ccc(cc1)C)C 34a_100009818840_100000761012 [1,0,0,0,0,1|1,0,0]=3 958 B16R1.1026 CC(=CCOC[C@H](O)c1ccc(cc1)F)C 34a_100000753907_100000720402 [1,0,0,0,0,1|2,0,0]=4 959 B16R1.1026 CC(=CCSCC(=O)c1ccc(cc1)C)C 62a_100000211441_100000761012 [1,0,0,0,0,1|1,0,1]=4 960 B16R1.1026 CC(=CCSCC(=O)c1ccc(cc1)C)C 62a_100000761012_100000211441 [1,0,0,0,0,1|1,0,1]=4 961 B16R1.1026 CC(=CCSCC(O)c1ccc(cc1)Cl)C 62a_100000761012_200011996143 [1,0,0,0,0,1|2,0,0]=4 962 B16R1.1026 CC(=CCSCC(O)c1ccc(cc1)Cl)C 62a_200011996143_100000761012 [1,0,0,0,0,1|2,0,0]=4 963 B16R1.1026 CC(=CCSC[C@H](O)c1ccc(cc1)F)C 62a_100000720402_100000761012 [1,0,0,0,0,1|2,0,0]=4 964 B16R1.1026 CC(=CCSC[C@H](O)c1ccc(cc1)F)C 62a_100000761012_100000720402 [1,0,0,0,0,1|2,0,0]=4 965 B16R1.1026 CC(=O)CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000685027 [1,0,0,0,0,1|1,0,1]=4 966 B16R1.1026 CC(=O)CCCOC(C)c1ccc(cc1)C 34a_100000759063_100011261388 [1,0,0,0,0,1|1,0,1]=4 967 B16R1.1026 CC(=O)CCCOC(C)c1ccc(cc1)C 7a_100000759063_100011261388 [1,0,0,0,0,1|1,0,1]=4 968 B16R1.1026 CC(=O)CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000685027 [1,0,0,0,0,1|1,0,1]=4 969 B16R1.1026 CC(=O)CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100011215641 [1,0,0,0,0,1|1,0,1]=4 970 B16R1.1026 CC(=O)CCCSC(C)c1ccc(cc1)C 62a_100011215641_100011261388 [1,0,0,0,0,1|1,0,1]=4 971 B16R1.1026 CC(=O)CCCSC(C)c1ccc(cc1)C 62a_100011261388_100011215641 [1,0,0,0,0,1|1,0,1]=4 972 B16R1.1026 CC(=O)NCCNC(C)c1ccc(cc1)C 2230a_100000209853_100011261388 [1,0,0,0,0,1|2,0,0]=4 973 B16R1.1026 CC(=O)NCCNC(C)c1ccc(cc1)C 269862a_100000209853_100000185793 [1,0,0,0,0,1|2,0,0]=4 974 B16R1.1026 CC(=O)NCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000189650 [1,0,0,0,0,1|2,0,0]=4 975 B16R1.1026 CC(=O)NCCOC(C)c1ccc(cc1)C 34a_100000158858_100011261388 [1,0,0,0,0,1|2,0,0]=4 976 B16R1.1026 CC(=O)NCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000189650 [1,0,0,0,0,1|2,0,0]=4 977 B16R1.1026 CC(=O)NCCSC(C)c1ccc(cc1)C 62a_100000189650_100011261388 [1,0,0,0,0,1|2,0,0]=4 978 B16R1.1026 CC(=O)NCCSC(C)c1ccc(cc1)C 62a_100011261388_100000189650 [1,0,0,0,0,1|2,0,0]=4 979 B16R1.1026 CC(=O)OCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100009814007 [1,0,0,0,0,1|2,0,0]=4 980 B16R1.1026 CC(=O)OCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100009814007 [1,0,0,0,0,1|2,0,0]=4 981 B16R1.1026 CC(=O)OCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100009814007 [1,0,0,0,0,1|2,0,0]=4 982 B16R1.1026 CC(=O)OCCSC(C)c1ccc(cc1)C 62a_100009814007_100011261388 [1,0,0,0,0,1|2,0,0]=4 983 B16R1.1026 CC(=O)OCCSC(C)c1ccc(cc1)C 62a_100011261388_100009814007 [1,0,0,0,0,1|2,0,0]=4 984 B16R1.1026 CC(=O)SCCNC(C)c1ccc(cc1)C 269862a_100020647217_100000185793 [1,0,0,0,0,1|2,0,0]=4 985 B16R1.1026 Cc1ccc(cc1)C(C)NCCCC(C)C 2230a_200000737386_100011261388 [1,0,0,0,0,1|0,0,2]=4 986 B16R1.1026 Cc1ccc(cc1)C(C)NCCCC(C)C 269862a_200000737386_100000185793 [1,0,0,0,0,1|0,0,2]=4 987 B16R1.1026 Cc1ccc(cc1)C(C)NCCCC(C)C 34a_200000737386_100011261388 [1,0,0,0,0,1|0,0,2]=4 988 B16R1.1026 Cc1ccc(cc1)C(C)NCCCN(C)C 269862a_102531767803_100000185793 [1,0,0,0,0,1|1,0,1]=4 989 B16R1.1026 Cc1ccc(cc1)C(C)NCCOC(C)C 2230a_100000701111_100011261388 [1,0,0,0,0,1|1,0,1]=4 990 B16R1.1026 Cc1ccc(cc1)C(C)NCCOC(C)C 269862a_100000701111_100000185793 [1,0,0,0,0,1|1,0,1]=4 991 B16R1.1026 Cc1ccc(cc1)C(C)NCCOC(C)C 34a_100000701111_100011261388 [1,0,0,0,0,1|1,0,1]=4 992 B16R1.1026 Cc1ccc(cc1)C(C)NCCSC(C)C 2230a_100000731138_100011261388 [1,0,0,0,0,1|1,0,1]=4 993 B16R1.1026 Cc1ccc(cc1)C(C)NCCSC(C)C 269862a_100000731138_100000185793 [1,0,0,0,0,1|1,0,1]=4 994 B16R1.1026 Cc1ccc(cc1)C(C)NCCSC(C)C 34a_100000731138_100011261388 [1,0,0,0,0,1|1,0,1]=4 995 B16R1.1026 Cc1ccc(cc1)C(C)OCCCC(C)C 34a_100000210774_100011261388 [1,0,0,0,0,1|0,0,2]=4 996 B16R1.1026 Cc1ccc(cc1)C(C)OCCCC(C)C 7a_100000210774_100011261388 [1,0,0,0,0,1|0,0,2]=4 997 B16R1.1026 Cc1ccc(cc1)C(C)OCCNC(C)C 34a_100000224655_100011261388 [1,0,0,0,0,1|1,0,1]=4 998 B16R1.1026 Cc1ccc(cc1)C(C)OCCOC(C)C 34a_100000211219_100011261388 [1,0,0,0,0,1|1,0,1]=4 999 B16R1.1026 Cc1ccc(cc1)C(C)OCCOC(C)C 7a_100000211219_100011261388 [1,0,0,0,0,1|1,0,1]=4 1000 B16R1.1026 Cc1ccc(cc1)C(C)OCCSC(C)C 34a_200011212901_100011261388 [1,0,0,0,0,1|1,0,1]=4 1001 B16R1.1026 Cc1ccc(cc1)C(C)OCCSC(C)C 7a_200011212901_100011261388 [1,0,0,0,0,1|1,0,1]=4 1002 B16R1.1026 Cc1ccc(cc1)C(C)SCCC=C(F)F 62a_100011261388_200009816681 [1,0,0,0,0,1|2,0,0]=4 1003 B16R1.1026 Cc1ccc(cc1)C(C)SCCC=C(F)F 62a_200009816681_100011261388 [1,0,0,0,0,1|2,0,0]=4 1004 B16R1.1026 Cc1ccc(cc1)C(C)SCCCC(C)C 62a_100011214892_100011261388 [1,0,0,0,0,1|0,0,2]=4 1005 B16R1.1026 Cc1ccc(cc1)C(C)SCCCC(C)C 62a_100011261388_100011214892 [1,0,0,0,0,1|0,0,2]=4 1006 B16R1.1026 Cc1ccc(cc1)C(C)SCCCN(C)C 62a_100011261388_100000757444 [1,0,0,0,0,1|1,0,1]=4 1007 B16R1.1026 Cc1ccc(cc1)C(C)SCCOC(C)C 62a_100000211751_100011261388 [1,0,0,0,0,1|1,0,1]=4 1008 B16R1.1026 Cc1ccc(cc1)C(C)SCCOC(C)C 62a_100011261388_100000211751 [1,0,0,0,0,1|1,0,1]=4 1009 B16R1.1026 Cc1ccc(cc1)C(C)SCCSC(C)C 62a_100000730970_100011261388 [1,0,0,0,0,1|1,0,1]=4 1010 B16R1.1026 Cc1ccc(cc1)C(C)SCCSC(C)C 62a_100011261388_100000730970 [1,0,0,0,0,1|1,0,1]=4 1011 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCC=C(F)F 2230a_100016988085_200009816681 [1,0,0,0,0,1|2,0,0]=4 1012 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCC=C(F)F 34a_100016988085_200009816681 [1,0,0,0,0,1|2,0,0]=4 1013 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCCC(C)C 2230a_100016988085_100011214892 [1,0,0,0,0,1|0,0,2]=4 1014 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCCC(C)C 34a_100016988085_100011214892 [1,0,0,0,0,1|0,0,2]=4 1015 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCOC(C)C 2230a_100016988085_100000211751 [1,0,0,0,0,1|1,0,1]=4 1016 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCOC(C)C 34a_100016988085_100000211751 [1,0,0,0,0,1|1,0,1]=4 1017 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCSC(C)C 2230a_100016988085_100000730970 [1,0,0,0,0,1|1,0,1]=4 1018 B16R1.1026 Cc1ccc(cc1)[C@@H](C)NCCSC(C)C 34a_100016988085_100000730970 [1,0,0,0,0,1|1,0,1]=4 1019 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCC=C(F)F 34a_100000690690_200009816681 [1,0,0,0,0,1|2,0,0]=4 1020 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCC=C(F)F 7a_100000690690_200009816681 [1,0,0,0,0,1|2,0,0]=4 1021 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCCC(C)C 34a_100000690690_100011214892 [1,0,0,0,0,1|0,0,2]=4 1022 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCCC(C)C 7a_100000690690_100011214892 [1,0,0,0,0,1|0,0,2]=4 1023 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCCN(C)C 7a_100000690690_100000757444 [1,0,0,0,0,1|1,0,1]=4 1024 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCOC(C)C 34a_100000690690_100000211751 [1,0,0,0,0,1|1,0,1]=4 1025 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCOC(C)C 7a_100000690690_100000211751 [1,0,0,0,0,1|1,0,1]=4 1026 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCSC(C)C 34a_100000690690_100000730970 [1,0,0,0,0,1|1,0,1]=4 1027 B16R1.1026 Cc1ccc(cc1)[C@@H](C)OCCSC(C)C 7a_100000690690_100000730970 [1,0,0,0,0,1|1,0,1]=4 1028 B16R1.1026 [2H]C(OCCC=C(C)C)c1ccc(cc1)F 34a_217856618577_100011217483 [1,0,0,0,0,1|2,0,0]=4 1029 B16R1.1026 [2H]C(OCCC=C(C)C)c1ccc(cc1)F 7a_217856618577_100011217483 [1,0,0,0,0,1|2,0,0]=4 1030 B16R1.1067 CC(=CCCC(=O)Cc1ccc(cc1)C)C 1458a_100000212244_100011217483 [1,0,0,0,0,1|1,0,1]=4 1031 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)Br)C 2230a_100000180866_100011217483 [1,0,0,0,0,1|2,0,0]=4 1032 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)Br)C 269982a_100000180866_100011217483 [1,0,0,0,0,1|2,0,0]=4 1033 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)C)C 2230a_100000744650_100011217483 [1,0,0,0,0,1|1,0,0]=3 1034 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)C)C 269982a_100000744650_100011217483 [1,0,0,0,0,1|1,0,0]=3 1035 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)C)C 34a_100000744650_100011217483 [1,0,0,0,0,1|1,0,0]=3 1036 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)Cl)C 2230a_100000184517_100011217483 [1,0,0,0,0,1|2,0,0]=4 1037 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)Cl)C 269982a_100000184517_100011217483 [1,0,0,0,0,1|2,0,0]=4 1038 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)Cl)C 34a_100000184517_100011217483 [1,0,0,0,0,1|2,0,0]=4 1039 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)F)C 2230a_100000184576_100011217483 [1,0,0,0,0,1|2,0,0]=4 1040 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)F)C 269982a_100000184576_100011217483 [1,0,0,0,0,1|2,0,0]=4 1041 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)F)C 34a_100000184576_100011217483 [1,0,0,0,0,1|2,0,0]=4 1042 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)O)C 2230a_100000207500_100011217483 [1,0,0,0,0,1|2,0,0]=4 1043 B16R1.1067 CC(=CCCN(C)Cc1ccc(cc1)O)C 269982a_100000207500_100011217483 [1,0,0,0,0,1|2,0,0]=4 1044 B16R1.1067 CC(=CCCN(C)Cc1ccc(cn1)C)C 2230a_200000717808_100011217483 [1,0,0,0,0,1|2,0,0]=4 1045 B16R1.1067 CC(=CCCN(C)Cc1ccc(cn1)C)C 269982a_200000717808_100011217483 [1,0,0,0,0,1|2,0,0]=4 1046 B16R1.1067 CC(=CCCN(C)Cc1ccc(nc1)C)C 2230a_106623407658_100011217483 [1,0,0,0,0,1|2,0,0]=4 1047 B16R1.1067 CC(=CCCN(C)Cc1ccc(nc1)C)C 269982a_106623407658_100011217483 [1,0,0,0,0,1|2,0,0]=4 1048 B16R1.1067 CC(=CCCN(C)Cc1ccc(nc1)C)C 34a_106623407658_100011217483 [1,0,0,0,0,1|2,0,0]=4 1049 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)Br)C 270004a_100000718196_100000691760 [1,0,0,0,0,1|2,0,0]=4 1050 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)C)C 270004a_100000718196_100000751045 [1,0,0,0,0,1|1,0,0]=3 1051 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)Cl)C 270004a_100000718196_100000747806 [1,0,0,0,0,1|2,0,0]=4 1052 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)F)C 270004a_100000718196_100000745281 [1,0,0,0,0,1|2,0,0]=4 1053 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)O)C 2230a_100102634573_100000761012 [1,0,0,0,0,1|2,0,0]=4 1054 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)O)C 270004a_100000718196_100011218180 [1,0,0,0,0,1|2,0,0]=4 1055 B16R1.1067 CC(=CCNC(C)Cc1ccc(cc1)O)C 34a_100102634573_100000761012 [1,0,0,0,0,1|2,0,0]=4 1056 B16R1.1067 CC(=CCOC(C)Cc1ccc(cc1)F)C 34a_100011351027_100000761012 [1,0,0,0,0,1|2,0,0]=4 1057 B16R1.1067 CC(=CCOC(C)Cc1ccc(cc1)F)C 7a_100011351027_100000761012 [1,0,0,0,0,1|2,0,0]=4 1058 B16R1.612 CC(=CC(=O)NCC(C)c1ccccc1)C 11a_100000701038_100000211388 [1,0,0,0,0,1|0,0,2]=4 1059 B16R1.612 CC(=CC(=O)NCC(C)c1ccccc1)C 1626a_100000701038_100000211388 [1,0,0,0,0,1|0,0,2]=4 1060 B16R1.612 CC(=CC(=O)NCC(C)c1ccccc1)C 240690a_100000701038_100000211388 [1,0,0,0,0,1|0,0,2]=4 1061 B16R1.612 CC(=CC(C)OCC(C)c1ccccc1)C 34a_100000717055_100000756946 [1,0,0,0,0,1|1,0,0]=3 1062 B16R1.612 CC(=CC(C)OCC(O)c1ccccc1)C 34a_100000717055_100000185958 [1,0,0,0,0,1|2,0,0]=4 1063 B16R1.612 CC(=CC(C)OC[C@@H](O)c1ccccc1)C 34a_100000717055_100011933945 [1,0,0,0,0,1|2,0,0]=4 1064 B16R1.612 CC(NCC(O)CN(C)C)c1ccccc1 269862a_100000737402_100000185851 [1,0,0,0,0,1|1,0,1]=4 1065 B16R1.6940 CC(=CC(C)OC(C)Cc1ccccc1)C 34a_100000717055_200011218536 [1,0,0,0,0,1|2,0,0]=4 1066 B16R1.7611 CC(=CCC(=O)CC(C)c1ccccc1)C 1458a_100000183687_100000761012 [1,0,0,0,0,1|0,0,2]=4 1067 B16R1.7611 CC(=CCC(=O)CC(C)c1ccccc1)C 1458a_100011220947_100000756946 [1,0,0,0,0,1|0,0,2]=4 1068 B18R1.972 CC(=O)OCC(O)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000139349 [0,0,0,0,0,2|1,0,1]=4 1069 B18R1.972 CC(=O)OCC(O)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000139349 [0,0,0,0,0,2|1,0,1]=4 1070 B18R1.972 CC(=O)OCC(O)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000139349 [0,0,0,0,0,2|1,0,1]=4 1071 B18R1.972 CC(=O)OCC(O)CSC(C)c1ccc(cc1)C 62a_100011261388_200000139349 [0,0,0,0,0,2|1,0,1]=4 1072 B18R1.972 CC(=O)OCC(O)CSC(C)c1ccc(cc1)C 62a_200000139349_100011261388 [0,0,0,0,0,2|1,0,1]=4 1073 B18R1.32781 CC(=CCCC(=O)CC(C)c1ccc(cc1)C)C 1458a_100011240733_100011217483 [0,0,0,0,0,2|0,0,2]=4 1074 B18R1.32781 CC(=CCCC(C)N[C@H](C)c1ccc(cc1)C)C 270004a_100016988085_100000765506 [0,0,0,0,0,2|2,0,0]=4 1075 B18R1.32781 CC(=CCCC(C)OC(C)c1ccc(cc1)C)C 34a_100102619829_100011261388 [0,0,0,0,0,2|2,0,0]=4 1076 B18R1.32781 CC(=CCCC(C)OC(C)c1ccc(cc1)C)C 7a_100102619829_100011261388 [0,0,0,0,0,2|2,0,0]=4 1077 B18R1.32781 CC(=CCNC(=O)CC(C)c1ccc(cc1)C)C 11a_100000718196_100011240733 [0,0,0,0,0,2|0,0,2]=4 1078 B18R1.32781 CC(=CCNC(=O)CC(C)c1ccc(cc1)C)C 1626a_100000718196_100011240733 [0,0,0,0,0,2|0,0,2]=4 1079 B18R1.32781 CC(=CCNC(=O)CC(C)c1ccc(cc1)C)C 527a_100000718196_100011240733 [0,0,0,0,0,2|0,0,2]=4 1080 B18R1.32745 CC(=CC(=O)NCC(C)Oc1ccc(cc1)C)C 11a_100000763606_100000211388 [0,0,0,0,0,2|0,0,2]=4 1081 B18R1.32745 CC(=CC(=O)NCC(C)Oc1ccc(cc1)C)C 1626a_100000763606_100000211388 [0,0,0,0,0,2|0,0,2]=4 1082 B18R1.32745 CC(=CC(=O)NCC(C)Oc1ccc(cc1)C)C 240690a_100000763606_100000211388 [0,0,0,0,0,2|0,0,2]=4 1083 B18R1.32745 CC(=CC(C)OCC(C)Oc1ccc(cc1)F)C 34a_100000717055_100010228477 [0,0,0,0,0,2|2,0,0]=4 1084 B13R1.11 C=CC(O)CN(C)c1ccccc1 2230a_100000210012_100000730141 [3,0,0,0,0,0|1,0,0]=4 1085 B13R1.11 C=CC(O)CN(C)c1ccccc1 34a_100000210012_100000730141 [3,0,0,0,0,0|1,0,0]=4 1086 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [3,0,0,0,0,0|1,0,0]=4 1087 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [3,0,0,0,0,0|1,0,0]=4 1088 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [3,0,0,0,0,0|1,0,0]=4 1089 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [3,0,0,0,0,0|1,0,0]=4 1090 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [3,0,0,0,0,0|1,0,0]=4 1091 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 269982a_100000219977_100102629194 [3,0,0,0,0,0|1,0,0]=4 1092 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 34a_100000219977_100102629194 [3,0,0,0,0,0|1,0,0]=4 1093 B13R1.17 C=CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000754431 [3,0,0,0,0,0|1,0,0]=4 1094 B13R1.17 C=CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000754431 [3,0,0,0,0,0|1,0,0]=4 1095 B13R1.17 C=CCCN(C)c1ccc(cc1)C 34a_100000219977_100000754431 [3,0,0,0,0,0|1,0,0]=4 1096 B13R1.17 C=CCNC(C)c1ccc(cc1)C 2230a_100020586998_100011261388 [3,0,0,0,0,0|1,0,0]=4 1097 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210623 [3,0,0,0,0,0|1,0,0]=4 1098 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100015514636 [3,0,0,0,0,0|1,0,0]=4 1099 B13R1.17 C=CCOC(C)c1ccc(cc1)C 34a_200000210373_100011261388 [3,0,0,0,0,0|1,0,0]=4 1100 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100015514636 [3,0,0,0,0,0|1,0,0]=4 1101 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100015514636 [3,0,0,0,0,0|1,0,0]=4 1102 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100000210623_100011261388 [3,0,0,0,0,0|1,0,0]=4 1103 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210623 [3,0,0,0,0,0|1,0,0]=4 1104 B13R1.17 CC=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000070051 [3,0,0,0,0,0|1,0,0]=4 1105 B13R1.17 CC=CCN(C)c1ccc(cc1)C 34a_100000219977_100000070051 [3,0,0,0,0,0|1,0,0]=4 1106 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 2230a_100000219977_100011218427 [3,0,0,0,0,0|1,0,0]=4 1107 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 269982a_100000219977_100011218427 [3,0,0,0,0,0|1,0,0]=4 1108 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 34a_100000219977_100011218427 [3,0,0,0,0,0|1,0,0]=4 1109 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 2230a_100000219977_100009817552 [3,0,0,0,0,0|1,0,0]=4 1110 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 269982a_100000219977_100009817552 [3,0,0,0,0,0|1,0,0]=4 1111 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 34a_100000219977_100009817552 [3,0,0,0,0,0|1,0,0]=4 1112 B13R1.9 C/C=C/CNCc1ccc(cc1)C 34a_100000174908_100102629194 [3,0,0,0,0,0|1,0,0]=4 1113 B13R1.9 C/C=C/COCc1ccc(cc1)C 34a_100011215236_100102629194 [3,0,0,0,0,0|1,0,0]=4 1114 B13R1.9 C/C=C/COCc1ccc(cc1)C 34a_100016270725_100000210814 [3,0,0,0,0,0|1,0,0]=4 1115 B13R1.9 C/C=C/COCc1ccc(cc1)C 7a_100011215236_100102629194 [3,0,0,0,0,0|1,0,0]=4 1116 B13R1.9 C/C=C/CSCc1ccc(cc1)C 62a_100000210814_100102629194 [3,0,0,0,0,0|1,0,0]=4 1117 B13R1.9 C/C=C/CSCc1ccc(cc1)C 62a_100102629194_100000210814 [3,0,0,0,0,0|1,0,0]=4 1118 B13R1.9 CC=CCNCc1ccc(cc1)C 2230a_100000174908_100000070051 [3,0,0,0,0,0|1,0,0]=4 1119 B13R1.9 CC=CCNCc1ccc(cc1)C 34a_100000174908_100000070051 [3,0,0,0,0,0|1,0,0]=4 1120 B13R1.9 CC=CCOCc1ccc(cc1)C 34a_100011215236_100000070051 [3,0,0,0,0,0|1,0,0]=4 1121 B13R1.9 CC=CCOCc1ccc(cc1)C 7a_100011215236_100000070051 [3,0,0,0,0,0|1,0,0]=4 1122 B13R1.9 CC=CCSCc1ccc(cc1)C 62a_100000070051_100000210814 [3,0,0,0,0,0|1,0,0]=4 1123 B13R1.9 CC=CCSCc1ccc(cc1)C 62a_100000210814_100000070051 [3,0,0,0,0,0|1,0,0]=4 1124 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [3,0,0,0,0,0|1,0,0]=4 1125 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [3,0,0,0,0,0|1,0,0]=4 1126 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [3,0,0,0,0,0|1,0,0]=4 1127 B13R1.24 C/C=C/CSC(C)c1ccccc1 62a_100000230085_100102629194 [3,0,0,0,0,0|1,0,0]=4 1128 B13R1.24 C/C=C/CSC(C)c1ccccc1 62a_100102629194_100000230085 [3,0,0,0,0,0|1,0,0]=4 1129 B13R1.24 CC=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000070051 [3,0,0,0,0,0|1,0,0]=4 1130 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [3,0,0,0,0,0|1,0,0]=4 1131 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [3,0,0,0,0,0|1,0,0]=4 1132 B13R1.24 CC=CCSC(C)c1ccccc1 62a_100000070051_100000230085 [3,0,0,0,0,0|1,0,0]=4 1133 B13R1.24 CC=CCSC(C)c1ccccc1 62a_100000230085_100000070051 [3,0,0,0,0,0|1,0,0]=4 1134 B13R1.337 CC(=CCCNc1ccccc1)C 34a_100000106764_100011217483 [3,0,0,0,0,0|1,0,0]=4 1135 B13R1.337 CC(=CCCOc1ccccc1)C 34a_100000210340_100011217483 [3,0,0,0,0,0|1,0,0]=4 1136 B13R1.337 CC(=CCCOc1ccccc1)C 7a_100000210340_100011217483 [3,0,0,0,0,0|1,0,0]=4 1137 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100000719477_100011217483 [3,0,0,0,0,0|1,0,0]=4 1138 B13R1.337 CC(=CCCSc1ccccc1)C 62a_100011217483_100000041952 [3,0,0,0,0,0|1,0,0]=4 1139 B13R1.337 CC(=CCNCc1ccccc1)C 2230a_100015324214_100000761012 [3,0,0,0,0,0|1,0,0]=4 1140 B13R1.337 CC(=CCNCc1ccccc1)C 270004a_100000718196_100015611070 [3,0,0,0,0,0|1,0,0]=4 1141 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100000718196_100015291786 [3,0,0,0,0,0|1,0,0]=4 1142 B13R1.337 CC(=CCNCc1ccccc1)C 34a_100015324214_100000761012 [3,0,0,0,0,0|1,0,0]=4 1143 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [3,0,0,0,0,0|1,0,0]=4 1144 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [3,0,0,0,0,0|1,0,0]=4 1145 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [3,0,0,0,0,0|1,0,0]=4 1146 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000211182_100000761012 [3,0,0,0,0,0|1,0,0]=4 1147 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000761012_100015291786 [3,0,0,0,0,0|1,0,0]=4 1148 B15R1.46 C=C[C@@H](CO)NC(C)c1ccc(cc1)C 2230a_100016989147_100011261388 [2,1,0,0,0,0|1,0,0]=4 1149 B15R1.46 C=C[C@@H](CO)NC(C)c1ccc(cc1)C 269862a_100016989147_100000185793 [2,1,0,0,0,0|1,0,0]=4 1150 B15R1.46 C=C[C@@H](CO)NC(C)c1ccc(cc1)C 34a_100016989147_100011261388 [2,1,0,0,0,0|1,0,0]=4 1151 B15R1.211 C=CC(O)CN(C)c1ccc(cc1)OC 2230a_100000220023_100000730141 [2,1,0,0,0,0|1,0,0]=4 1152 B15R1.211 C=CC(O)CN(C)c1ccc(cc1)OC 34a_100000220023_100000730141 [2,1,0,0,0,0|1,0,0]=4 1153 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000730141 [2,1,0,0,0,0|1,0,0]=4 1154 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)Br)C 34a_100000707694_100000730141 [2,1,0,0,0,0|1,0,0]=4 1155 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)Br)C 38a_100000707694_100000730141 [2,1,0,0,0,0|1,0,0]=4 1156 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000730141 [2,1,0,0,0,0|1,0,0]=4 1157 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100000730141 [2,1,0,0,0,0|1,0,0]=4 1158 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)Cl)C 38a_100000220120_100000730141 [2,1,0,0,0,0|1,0,0]=4 1159 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000730141 [2,1,0,0,0,0|1,0,0]=4 1160 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)F)C 34a_100160572069_100000730141 [2,1,0,0,0,0|1,0,0]=4 1161 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)F)C 38a_100160572069_100000730141 [2,1,0,0,0,0|1,0,0]=4 1162 B15R1.758 C=CC(O)CN(C)c1ccc(c(c1)F)C 7a_100160572069_100000730141 [2,1,0,0,0,0|1,0,0]=4 1163 B15R1.3826 C=CC(O)CN(CC)c1ccc(cc1)C 2230a_100000219985_100000730141 [2,1,0,0,0,0|1,0,0]=4 1164 B15R1.3826 C=CC(O)CN(CC)c1ccc(cc1)C 34a_100000219985_100000730141 [2,1,0,0,0,0|1,0,0]=4 1165 B15R1.10256 C=CC(O)CN(C)c1ccc(cc1Br)C 2230a_100000221369_100000730141 [2,1,0,0,0,0|1,0,0]=4 1166 B15R1.10256 C=CC(O)CN(C)c1ccc(cc1Br)C 34a_100000221369_100000730141 [2,1,0,0,0,0|1,0,0]=4 1167 B15R1.30 C/C=C/CCOC(C)c1ccc(cc1)Br 34a_100016278192_100000755118 [2,1,0,0,0,0|1,0,0]=4 1168 B15R1.30 C/C=C/CCOC(C)c1ccc(cc1)C 34a_100016278192_100011261388 [2,1,0,0,0,0|0,0,0]=3 1169 B15R1.30 C/C=C/CCOC(C)c1ccc(cc1)F 34a_100016278192_100000743420 [2,1,0,0,0,0|1,0,0]=4 1170 B15R1.30 C/C=C/CNCC(C)c1ccc(cc1)O 34a_200015188644_100102629194 [2,1,0,0,0,0|1,0,0]=4 1171 B15R1.30 C/C=C/CNCC(O)c1ccc(cc1)C 34a_200020610344_100102629194 [2,1,0,0,0,0|1,0,0]=4 1172 B15R1.30 C/C=C/COC[C@H](N)c1ccc(cc1)C 34a_100009818840_100102629194 [2,1,0,0,0,0|1,0,0]=4 1173 B15R1.30 CC/C=C\CCN(C)c1ccc(cc1)C 2230a_100000219977_100015370543 [2,1,0,0,0,0|1,0,0]=4 1174 B15R1.30 CC/C=C\CCN(C)c1ccc(cc1)C 269982a_100000219977_100015370543 [2,1,0,0,0,0|1,0,0]=4 1175 B15R1.30 CC/C=C\CCN(C)c1ccc(cc1)C 34a_100000219977_100015370543 [2,1,0,0,0,0|1,0,0]=4 1176 B15R1.30 CC/C=C\CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100103147603 [2,1,0,0,0,0|1,0,0]=4 1177 B15R1.30 CC/C=C\CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100103147603 [2,1,0,0,0,0|1,0,0]=4 1178 B15R1.30 CC/C=C\COC(C)c1ccc(cc1)C 34a_100016268518_100011261388 [2,1,0,0,0,0|1,0,0]=4 1179 B15R1.30 CC/C=C\CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100103147603 [2,1,0,0,0,0|1,0,0]=4 1180 B15R1.30 CC/C=C\CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100103147603 [2,1,0,0,0,0|1,0,0]=4 1181 B15R1.30 CC/C=C\CSC(C)c1ccc(cc1)C 62a_100011261388_100103147603 [2,1,0,0,0,0|1,0,0]=4 1182 B15R1.30 CC/C=C\CSC(C)c1ccc(cc1)C 62a_100103147603_100011261388 [2,1,0,0,0,0|1,0,0]=4 1183 B15R1.30 CC=CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000070051 [2,1,0,0,0,0|1,0,0]=4 1184 B15R1.30 CC=CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000070051 [2,1,0,0,0,0|1,0,0]=4 1185 B15R1.30 CC=CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000070051 [2,1,0,0,0,0|1,0,0]=4 1186 B15R1.30 CC=CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000070051 [2,1,0,0,0,0|1,0,0]=4 1187 B15R1.38 C/C=C/CNC(C)(C)c1ccc(cc1)C 34a_200011345931_100102629194 [2,1,0,0,0,0|1,0,0]=4 1188 B15R1.38 C/C=C/COC(C)(C)c1ccc(cc1)C 34a_200011345916_100102629194 [2,1,0,0,0,0|1,0,0]=4 1189 B15R1.38 C/C=C/COC(C)(C)c1ccc(cc1)C 7a_200011345916_100102629194 [2,1,0,0,0,0|1,0,0]=4 1190 B15R1.38 CC=CCNC(C)(C)c1ccc(cc1)C 2230a_200011345931_100000070051 [2,1,0,0,0,0|1,0,0]=4 1191 B15R1.38 CC=CCNC(C)(C)c1ccc(cc1)C 34a_200011345931_100000070051 [2,1,0,0,0,0|1,0,0]=4 1192 B15R1.38 CC=CCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000070051 [2,1,0,0,0,0|1,0,0]=4 1193 B15R1.38 CC=CCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000070051 [2,1,0,0,0,0|1,0,0]=4 1194 B15R1.101 C/C=C/CNC(CC)c1ccc(cc1)C 34a_100000749201_100102629194 [2,1,0,0,0,0|1,0,0]=4 1195 B15R1.101 C/C=C/CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100102629194 [2,1,0,0,0,0|1,0,0]=4 1196 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)C 34a_100000246521_100102629194 [2,1,0,0,0,0|1,0,0]=4 1197 B15R1.101 C/C=C/COC(CC)c1ccc(cc1)C 7a_100000246521_100102629194 [2,1,0,0,0,0|1,0,0]=4 1198 B15R1.101 CC=CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000070051 [2,1,0,0,0,0|1,0,0]=4 1199 B15R1.101 CC=CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000070051 [2,1,0,0,0,0|1,0,0]=4 1200 B15R1.101 CC=CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000070051 [2,1,0,0,0,0|1,0,0]=4 1201 B15R1.101 CC=CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000070051 [2,1,0,0,0,0|1,0,0]=4 1202 B15R1.101 CC=CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000070051 [2,1,0,0,0,0|1,0,0]=4 1203 B15R1.101 CC=CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000070051 [2,1,0,0,0,0|1,0,0]=4 1204 B15R1.135 C/C=C/CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100102629194 [2,1,0,0,0,0|0,0,1]=4 1205 B15R1.135 CC=CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000070051 [2,1,0,0,0,0|0,0,1]=4 1206 B15R1.135 CC=CCC(=O)C(C)c1ccc(cc1)C 1458a_100121576822_100011261388 [2,1,0,0,0,0|0,0,1]=4 1207 B15R1.1389 C/C=C/CNC(C)c1ccc(cc1)CC 34a_100015186439_100102629194 [2,1,0,0,0,0|1,0,0]=4 1208 B15R1.1389 C/C=C/COC(C)c1ccc(cc1)CC 34a_100011232672_100102629194 [2,1,0,0,0,0|1,0,0]=4 1209 B15R1.1389 C/C=C/COC(C)c1ccc(cc1)CC 7a_100011232672_100102629194 [2,1,0,0,0,0|1,0,0]=4 1210 B15R1.1389 C/C=C/COC(C)c1ccc(cc1)CN 34a_200000048501_100102629194 [2,1,0,0,0,0|1,0,0]=4 1211 B15R1.1389 C/C=C/COC(C)c1ccc(cc1)OC 34a_100000742907_100102629194 [2,1,0,0,0,0|1,0,0]=4 1212 B15R1.1389 C/C=C/COC(C)c1ccc(cc1)OC 7a_100000742907_100102629194 [2,1,0,0,0,0|1,0,0]=4 1213 B15R1.1389 CC=CCNC(C)c1ccc(cc1)CC 2230a_100015186439_100000070051 [2,1,0,0,0,0|1,0,0]=4 1214 B15R1.1389 CC=CCNC(C)c1ccc(cc1)CC 34a_100015186439_100000070051 [2,1,0,0,0,0|1,0,0]=4 1215 B15R1.1389 CC=CCNC(C)c1ccc(cc1)SC 2230a_100000738722_100000070051 [2,1,0,0,0,0|1,0,0]=4 1216 B15R1.1389 CC=CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000070051 [2,1,0,0,0,0|1,0,0]=4 1217 B15R1.1389 CC=CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000070051 [2,1,0,0,0,0|1,0,0]=4 1218 B15R1.1389 CC=CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000070051 [2,1,0,0,0,0|1,0,0]=4 1219 B15R1.1389 CC=CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000070051 [2,1,0,0,0,0|1,0,0]=4 1220 B15R1.1389 CC=CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000070051 [2,1,0,0,0,0|1,0,0]=4 1221 B15R1.1389 CC=CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000070051 [2,1,0,0,0,0|1,0,0]=4 1222 B15R1.1404 C/C=C/CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_100102629194 [2,1,0,0,0,0|1,0,0]=4 1223 B15R1.1404 C/C=C/CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_100102629194 [2,1,0,0,0,0|1,0,0]=4 1224 B15R1.1404 C/C=C/CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_100102629194 [2,1,0,0,0,0|1,0,0]=4 1225 B15R1.1404 CC=CCNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_100000070051 [2,1,0,0,0,0|1,0,0]=4 1226 B15R1.1404 CC=CCNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_100000070051 [2,1,0,0,0,0|1,0,0]=4 1227 B15R1.1404 CC=CCN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_100000070051 [2,1,0,0,0,0|1,0,0]=4 1228 B15R1.1404 CC=CCN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_100000070051 [2,1,0,0,0,0|1,0,0]=4 1229 B15R1.1404 CC=CCN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_100000070051 [2,1,0,0,0,0|1,0,0]=4 1230 B15R1.1404 CC=CCN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_100000070051 [2,1,0,0,0,0|1,0,0]=4 1231 B15R1.3309 C/C=C/CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100102629194 [2,1,0,0,0,0|1,0,0]=4 1232 B15R1.3309 C/C=C/COC(C)c1ccc(cc1C)C 34a_100000246504_100102629194 [2,1,0,0,0,0|1,0,0]=4 1233 B15R1.3309 C/C=C/COC(C)c1ccc(cc1C)C 7a_100000246504_100102629194 [2,1,0,0,0,0|1,0,0]=4 1234 B15R1.3309 CC=CCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000070051 [2,1,0,0,0,0|1,0,0]=4 1235 B15R1.3309 CC=CCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000070051 [2,1,0,0,0,0|1,0,0]=4 1236 B15R1.3309 CC=CCOC(C)c1ccc(cc1C)C 34a_100000246504_100000070051 [2,1,0,0,0,0|1,0,0]=4 1237 B15R1.3309 CC=CCOC(C)c1ccc(cc1C)C 7a_100000246504_100000070051 [2,1,0,0,0,0|1,0,0]=4 1238 B15R1.4 CC(=CCCNc1ccc(cc1)CO)C 2230a_100011215238_100011217483 [2,1,0,0,0,0|1,0,0]=4 1239 B15R1.4 CC(=CCCNc1ccc(cc1)CO)C 34a_100011215238_100011217483 [2,1,0,0,0,0|1,0,0]=4 1240 B15R1.4 CC(=CCCOc1ccc(cc1)CN)C 34a_100000185549_100011217483 [2,1,0,0,0,0|1,0,0]=4 1241 B15R1.4 CC(=CCCOc1ccc(cc1)CO)C 34a_100000211755_100011217483 [2,1,0,0,0,0|1,0,0]=4 1242 B15R1.4 CC(=CCCSc1ccc(cc1)CF)C 62a_100010268989_100011217483 [2,1,0,0,0,0|1,0,0]=4 1243 B15R1.4 CC(=CCCSc1ccc(cc1)CF)C 62a_100011217483_100010268989 [2,1,0,0,0,0|1,0,0]=4 1244 B15R1.4 CC(=CCCSc1ccc(cc1)CN)C 62a_100011217483_100016989417 [2,1,0,0,0,0|1,0,0]=4 1245 B15R1.4 CC(=CCCSc1ccc(cc1)CN)C 62a_100016989417_100011217483 [2,1,0,0,0,0|1,0,0]=4 1246 B15R1.4 CC(=CCCSc1ccc(cc1)CO)C 62a_100000690907_100011217483 [2,1,0,0,0,0|1,0,0]=4 1247 B15R1.4 CC(=CCCSc1ccc(cc1)CO)C 62a_100011217483_100000690907 [2,1,0,0,0,0|1,0,0]=4 1248 B15R1.4 CC(=CCNCc1ccc(cc1)CO)C 2230a_100015189231_100000761012 [2,1,0,0,0,0|1,0,0]=4 1249 B15R1.4 CC(=CCNCc1ccc(cc1)CO)C 270004a_100000718196_100009832023 [2,1,0,0,0,0|1,0,0]=4 1250 B15R1.4 CC(=CCNCc1ccc(cc1)CO)C 34a_100000718196_100000067286 [2,1,0,0,0,0|1,0,0]=4 1251 B15R1.4 CC(=CCNCc1ccc(cc1)CO)C 34a_100015189231_100000761012 [2,1,0,0,0,0|1,0,0]=4 1252 B15R1.4 CC(=CCOCc1ccc(cc1)CBr)C 34a_100012353999_100000761012 [2,1,0,0,0,0|1,0,0]=4 1253 B15R1.4 CC(=CCOCc1ccc(cc1)CBr)C 7a_100012353999_100000761012 [2,1,0,0,0,0|1,0,0]=4 1254 B15R1.4 CC(=CCOCc1ccc(cc1)CCl)C 34a_100000067286_100000761012 [2,1,0,0,0,0|1,0,0]=4 1255 B15R1.4 CC(=CCOCc1ccc(cc1)CCl)C 7a_100000067286_100000761012 [2,1,0,0,0,0|1,0,0]=4 1256 B15R1.4 CC(=CCOCc1ccc(cc1)CN)C 34a_100015189231_100000761012 [2,1,0,0,0,0|1,0,0]=4 1257 B15R1.4 CC(=CCOCc1ccc(cc1)CO)C 34a_100000753907_100000067286 [2,1,0,0,0,0|1,0,0]=4 1258 B15R1.4 CC(=CCSCc1ccc(cc1)CO)C 62a_100000067286_100000761012 [2,1,0,0,0,0|1,0,0]=4 1259 B15R1.4 CC(=CCSCc1ccc(cc1)CO)C 62a_100000761012_100000067286 [2,1,0,0,0,0|1,0,0]=4 1260 B15R1.4 CCc1ccc(cc1)CNCC=C(C)C 2230a_100000721222_100000761012 [2,1,0,0,0,0|1,0,0]=4 1261 B15R1.4 CCc1ccc(cc1)CNCC=C(C)C 270004a_100000718196_100000211036 [2,1,0,0,0,0|1,0,0]=4 1262 B15R1.4 CCc1ccc(cc1)CNCC=C(C)C 34a_100000718196_100000747183 [2,1,0,0,0,0|1,0,0]=4 1263 B15R1.4 CCc1ccc(cc1)CNCC=C(C)C 34a_100000721222_100000761012 [2,1,0,0,0,0|1,0,0]=4 1264 B15R1.4 CCc1ccc(cc1)COCC=C(C)C 34a_100000702245_100000761012 [2,1,0,0,0,0|1,0,0]=4 1265 B15R1.4 CCc1ccc(cc1)COCC=C(C)C 34a_100000753907_100000747183 [2,1,0,0,0,0|1,0,0]=4 1266 B15R1.4 CCc1ccc(cc1)COCC=C(C)C 7a_100000702245_100000761012 [2,1,0,0,0,0|1,0,0]=4 1267 B15R1.4 CCc1ccc(cc1)CSCC=C(C)C 62a_100000757233_100000761012 [2,1,0,0,0,0|1,0,0]=4 1268 B15R1.4 CCc1ccc(cc1)CSCC=C(C)C 62a_100000761012_100000747183 [2,1,0,0,0,0|1,0,0]=4 1269 B15R1.4 CCc1ccc(cc1)NCCC=C(C)C 2230a_100000211069_100011217483 [2,1,0,0,0,0|1,0,0]=4 1270 B15R1.4 CCc1ccc(cc1)NCCC=C(C)C 34a_100000211069_100011217483 [2,1,0,0,0,0|1,0,0]=4 1271 B15R1.4 CCc1ccc(cc1)OCCC=C(C)C 34a_100000211359_100011217483 [2,1,0,0,0,0|1,0,0]=4 1272 B15R1.4 CCc1ccc(cc1)OCCC=C(C)C 7a_100000211359_100011217483 [2,1,0,0,0,0|1,0,0]=4 1273 B15R1.4 CCc1ccc(cc1)SCCC=C(C)C 62a_100011215824_100011217483 [2,1,0,0,0,0|1,0,0]=4 1274 B15R1.4 CCc1ccc(cc1)SCCC=C(C)C 62a_100011217483_100011215824 [2,1,0,0,0,0|1,0,0]=4 1275 B15R1.4 CNc1ccc(cc1)OCCC=C(C)C 34a_100000182112_100011217483 [2,1,0,0,0,0|1,0,0]=4 1276 B15R1.4 CNc1ccc(cc1)SCCC=C(C)C 62a_100000743151_100011217483 [2,1,0,0,0,0|1,0,0]=4 1277 B15R1.4 CNc1ccc(cc1)SCCC=C(C)C 62a_100011217483_100000743151 [2,1,0,0,0,0|1,0,0]=4 1278 B15R1.4 COc1ccc(cc1)CNCC=C(C)C 270004a_100000718196_100000169835 [2,1,0,0,0,0|1,0,0]=4 1279 B15R1.4 COc1ccc(cc1)CNCC=C(C)C 34a_100000185587_100000761012 [2,1,0,0,0,0|1,0,0]=4 1280 B15R1.4 COc1ccc(cc1)CNCC=C(C)C 34a_100000718196_100000742318 [2,1,0,0,0,0|1,0,0]=4 1281 B15R1.4 COc1ccc(cc1)COCC=C(C)C 34a_100000173359_100000761012 [2,1,0,0,0,0|1,0,0]=4 1282 B15R1.4 COc1ccc(cc1)COCC=C(C)C 34a_100000753907_100000742318 [2,1,0,0,0,0|1,0,0]=4 1283 B15R1.4 COc1ccc(cc1)CSCC=C(C)C 62a_100000761012_100000742318 [2,1,0,0,0,0|1,0,0]=4 1284 B15R1.4 COc1ccc(cc1)NCCC=C(C)C 34a_100000184247_100011217483 [2,1,0,0,0,0|1,0,0]=4 1285 B15R1.4 COc1ccc(cc1)OCCC=C(C)C 34a_100000210503_100011217483 [2,1,0,0,0,0|1,0,0]=4 1286 B15R1.4 COc1ccc(cc1)SCCC=C(C)C 62a_100011217483_100000171711 [2,1,0,0,0,0|1,0,0]=4 1287 B15R1.4 CSc1ccc(cc1)CNCC=C(C)C 2230a_100000174980_100000761012 [2,1,0,0,0,0|1,0,0]=4 1288 B15R1.4 CSc1ccc(cc1)CNCC=C(C)C 270004a_100000718196_100000211154 [2,1,0,0,0,0|1,0,0]=4 1289 B15R1.4 CSc1ccc(cc1)CNCC=C(C)C 34a_100000174980_100000761012 [2,1,0,0,0,0|1,0,0]=4 1290 B15R1.4 CSc1ccc(cc1)CNCC=C(C)C 34a_100000718196_100000181263 [2,1,0,0,0,0|1,0,0]=4 1291 B15R1.4 CSc1ccc(cc1)COCC=C(C)C 34a_100000753907_100000181263 [2,1,0,0,0,0|1,0,0]=4 1292 B15R1.4 CSc1ccc(cc1)COCC=C(C)C 34a_100011215404_100000761012 [2,1,0,0,0,0|1,0,0]=4 1293 B15R1.4 CSc1ccc(cc1)COCC=C(C)C 7a_100011215404_100000761012 [2,1,0,0,0,0|1,0,0]=4 1294 B15R1.4 CSc1ccc(cc1)CSCC=C(C)C 62a_100000181263_100000761012 [2,1,0,0,0,0|1,0,0]=4 1295 B15R1.4 CSc1ccc(cc1)CSCC=C(C)C 62a_100000761012_100000181263 [2,1,0,0,0,0|1,0,0]=4 1296 B15R1.4 CSc1ccc(cc1)NCCC=C(C)C 34a_100000212337_100011217483 [2,1,0,0,0,0|1,0,0]=4 1297 B15R1.4 CSc1ccc(cc1)OCCC=C(C)C 34a_100000211864_100011217483 [2,1,0,0,0,0|1,0,0]=4 1298 B15R1.4 CSc1ccc(cc1)SCCC=C(C)C 62a_100011217483_100011263217 [2,1,0,0,0,0|1,0,0]=4 1299 B15R1.4 CSc1ccc(cc1)SCCC=C(C)C 62a_100011263217_100011217483 [2,1,0,0,0,0|1,0,0]=4 1300 B15R1.111 CC(=CCC(=O)Cc1ccc(cc1)C)C 1458a_100000212244_100000761012 [2,1,0,0,0,0|0,0,1]=4 1301 B15R1.111 CC(=CCC(=O)Cc1ccc(cc1)C)C 1458a_100011220947_100000210814 [2,1,0,0,0,0|0,0,1]=4 1302 B15R1.111 CC(=CCN(C)Cc1ccc(cc1)C)C 2230a_100000744650_100000761012 [2,1,0,0,0,0|1,0,0]=4 1303 B15R1.111 CC(=CCN(C)Cc1ccc(cc1)C)C 269982a_100000744650_100000761012 [2,1,0,0,0,0|1,0,0]=4 1304 B15R1.111 CC(=CCN(C)Cc1ccc(cc1)C)C 34a_100000744650_100000761012 [2,1,0,0,0,0|1,0,0]=4 1305 B15R1.112 Cc1ccc(cc1)CCCC(=O)C(C)C 1458a_100000741418_100000210206 [2,1,0,0,0,0|0,0,1]=4 1306 B15R1.112 Cc1ccc(cc1)CCCC(=O)N(C)C 11a_100102631434_100000741418 [2,1,0,0,0,0|1,0,0]=4 1307 B15R1.112 Cc1ccc(cc1)CCCC(=O)N(C)C 1626a_100102631434_100000741418 [2,1,0,0,0,0|1,0,0]=4 1308 B15R1.112 Cc1ccc(cc1)CCCC(=O)N(C)C 240690a_100102631434_100000741418 [2,1,0,0,0,0|1,0,0]=4 1309 B15R1.112 Cc1ccc(cc1)CCCC(=O)N(C)C 527a_100102631434_100000741418 [2,1,0,0,0,0|1,0,0]=4 1310 B15R1.888 CC(=CCCNc1ccc(c(c1)Br)C)C 2230a_100000736455_100011217483 [2,1,0,0,0,0|1,0,0]=4 1311 B15R1.888 CC(=CCCNc1ccc(c(c1)Br)C)C 34a_100000736455_100011217483 [2,1,0,0,0,0|1,0,0]=4 1312 B15R1.888 CC(=CCCNc1ccc(c(c1)Br)C)C 7a_100000736455_100011217483 [2,1,0,0,0,0|1,0,0]=4 1313 B15R1.888 CC(=CCCNc1ccc(c(c1)C)C)C 2230a_100000724040_100011217483 [2,1,0,0,0,0|1,0,0]=4 1314 B15R1.888 CC(=CCCNc1ccc(c(c1)C)C)C 34a_100000724040_100011217483 [2,1,0,0,0,0|1,0,0]=4 1315 B15R1.888 CC(=CCCNc1ccc(c(c1)C)C)C 7a_100000724040_100011217483 [2,1,0,0,0,0|1,0,0]=4 1316 B15R1.888 CC(=CCCNc1ccc(c(c1)Cl)C)C 2230a_100000188892_100011217483 [2,1,0,0,0,0|1,0,0]=4 1317 B15R1.888 CC(=CCCNc1ccc(c(c1)Cl)C)C 34a_100000188892_100011217483 [2,1,0,0,0,0|1,0,0]=4 1318 B15R1.888 CC(=CCCNc1ccc(c(c1)Cl)C)C 7a_100000188892_100011217483 [2,1,0,0,0,0|1,0,0]=4 1319 B15R1.888 CC(=CCCNc1ccc(c(c1)F)C)C 2230a_100000210958_100011217483 [2,1,0,0,0,0|1,0,0]=4 1320 B15R1.888 CC(=CCCNc1ccc(c(c1)F)C)C 34a_100000210958_100011217483 [2,1,0,0,0,0|1,0,0]=4 1321 B15R1.888 CC(=CCCNc1ccc(c(c1)F)C)C 7a_100000210958_100011217483 [2,1,0,0,0,0|1,0,0]=4 1322 B15R1.888 CC(=CCCNc1ccc(c(c1)I)C)C 34a_100000184131_100011217483 [2,1,0,0,0,0|1,0,0]=4 1323 B15R1.888 CC(=CCCNc1ccc(c(c1)I)C)C 7a_100000184131_100011217483 [2,1,0,0,0,0|1,0,0]=4 1324 B15R1.888 CC(=CCCNc1ccc(c(c1)O)C)C 34a_100000759471_100011217483 [2,1,0,0,0,0|1,0,0]=4 1325 B15R1.888 CC(=CCCNc1ccc(c(c1)O)C)C 7a_100000759471_100011217483 [2,1,0,0,0,0|1,0,0]=4 1326 B15R1.888 CC(=CCCOc1ccc(c(c1)Br)C)C 34a_100011380479_100011217483 [2,1,0,0,0,0|1,0,0]=4 1327 B15R1.888 CC(=CCCOc1ccc(c(c1)Br)C)C 7a_100011380479_100011217483 [2,1,0,0,0,0|1,0,0]=4 1328 B15R1.888 CC(=CCCOc1ccc(c(c1)C)C)C 34a_100000210932_100011217483 [2,1,0,0,0,0|1,0,0]=4 1329 B15R1.888 CC(=CCCOc1ccc(c(c1)C)C)C 7a_100000210932_100011217483 [2,1,0,0,0,0|1,0,0]=4 1330 B15R1.888 CC(=CCCOc1ccc(c(c1)Cl)C)C 34a_100011265682_100011217483 [2,1,0,0,0,0|1,0,0]=4 1331 B15R1.888 CC(=CCCOc1ccc(c(c1)Cl)C)C 7a_100011265682_100011217483 [2,1,0,0,0,0|1,0,0]=4 1332 B15R1.888 CC(=CCCOc1ccc(c(c1)F)C)C 34a_100000722560_100011217483 [2,1,0,0,0,0|1,0,0]=4 1333 B15R1.888 CC(=CCCOc1ccc(c(c1)F)C)C 7a_100000722560_100011217483 [2,1,0,0,0,0|1,0,0]=4 1334 B15R1.888 CC(=CCCOc1ccc(c(c1)N)C)C 34a_100011216113_100011217483 [2,1,0,0,0,0|1,0,0]=4 1335 B15R1.888 CC(=CCCOc1ccc(c(c1)N)C)C 7a_100011216113_100011217483 [2,1,0,0,0,0|1,0,0]=4 1336 B15R1.888 CC(=CCCSc1ccc(c(c1)Br)C)C 62a_100011217483_100011847877 [2,1,0,0,0,0|1,0,0]=4 1337 B15R1.888 CC(=CCCSc1ccc(c(c1)Br)C)C 62a_100011847877_100011217483 [2,1,0,0,0,0|1,0,0]=4 1338 B15R1.888 CC(=CCCSc1ccc(c(c1)C)C)C 62a_100011215607_100011217483 [2,1,0,0,0,0|1,0,0]=4 1339 B15R1.888 CC(=CCCSc1ccc(c(c1)C)C)C 62a_100011217483_100011215607 [2,1,0,0,0,0|1,0,0]=4 1340 B15R1.888 CC(=CCCSc1ccc(c(c1)Cl)C)C 62a_100011216363_100011217483 [2,1,0,0,0,0|1,0,0]=4 1341 B15R1.888 CC(=CCCSc1ccc(c(c1)Cl)C)C 62a_100011217483_100011216363 [2,1,0,0,0,0|1,0,0]=4 1342 B15R1.888 CC(=CCCSc1ccc(c(c1)F)C)C 62a_100000720648_100011217483 [2,1,0,0,0,0|1,0,0]=4 1343 B15R1.888 CC(=CCCSc1ccc(c(c1)F)C)C 62a_100011217483_100000720648 [2,1,0,0,0,0|1,0,0]=4 1344 B15R1.888 CC(=CCCSc1ccc(c(c1)N)C)C 62a_100000761890_100011217483 [2,1,0,0,0,0|1,0,0]=4 1345 B15R1.888 CC(=CCCSc1ccc(c(c1)N)C)C 62a_100011217483_100000761890 [2,1,0,0,0,0|1,0,0]=4 1346 B15R1.888 CC(=CCCSc1ccc(c(c1)O)C)C 62a_100000685420_100011217483 [2,1,0,0,0,0|1,0,0]=4 1347 B15R1.888 CC(=CCCSc1ccc(c(c1)O)C)C 62a_100011217483_100000685420 [2,1,0,0,0,0|1,0,0]=4 1348 B15R1.888 CC(=CCNCc1ccc(c(c1)Br)C)C 270004a_100000718196_100000695567 [2,1,0,0,0,0|1,0,0]=4 1349 B15R1.888 CC(=CCNCc1ccc(c(c1)Br)C)C 34a_100000718196_100012232412 [2,1,0,0,0,0|1,0,0]=4 1350 B15R1.888 CC(=CCNCc1ccc(c(c1)C)C)C 2230a_100025706692_100000761012 [2,1,0,0,0,0|1,0,0]=4 1351 B15R1.888 CC(=CCNCc1ccc(c(c1)C)C)C 270004a_100000718196_100000229942 [2,1,0,0,0,0|1,0,0]=4 1352 B15R1.888 CC(=CCNCc1ccc(c(c1)C)C)C 34a_100000718196_100000742320 [2,1,0,0,0,0|1,0,0]=4 1353 B15R1.888 CC(=CCNCc1ccc(c(c1)C)C)C 34a_100025706692_100000761012 [2,1,0,0,0,0|1,0,0]=4 1354 B15R1.888 CC(=CCNCc1ccc(c(c1)Cl)C)C 2230a_102495364989_100000761012 [2,1,0,0,0,0|1,0,0]=4 1355 B15R1.888 CC(=CCNCc1ccc(c(c1)Cl)C)C 270004a_100000718196_100000760539 [2,1,0,0,0,0|1,0,0]=4 1356 B15R1.888 CC(=CCNCc1ccc(c(c1)Cl)C)C 34a_100000718196_100011823929 [2,1,0,0,0,0|1,0,0]=4 1357 B15R1.888 CC(=CCNCc1ccc(c(c1)Cl)C)C 34a_102495364989_100000761012 [2,1,0,0,0,0|1,0,0]=4 1358 B15R1.888 CC(=CCNCc1ccc(c(c1)F)C)C 2230a_100102708794_100000761012 [2,1,0,0,0,0|1,0,0]=4 1359 B15R1.888 CC(=CCNCc1ccc(c(c1)F)C)C 270004a_100000718196_100000753222 [2,1,0,0,0,0|1,0,0]=4 1360 B15R1.888 CC(=CCNCc1ccc(c(c1)F)C)C 34a_100000718196_100011217369 [2,1,0,0,0,0|1,0,0]=4 1361 B15R1.888 CC(=CCNCc1ccc(c(c1)F)C)C 34a_100102708794_100000761012 [2,1,0,0,0,0|1,0,0]=4 1362 B15R1.888 CC(=CCNCc1ccc(c(c1)I)C)C 270004a_100000718196_100010197721 [2,1,0,0,0,0|1,0,0]=4 1363 B15R1.888 CC(=CCNCc1ccc(c(c1)I)C)C 34a_100000718196_100010206137 [2,1,0,0,0,0|1,0,0]=4 1364 B15R1.888 CC(=CCOCc1ccc(c(c1)Br)C)C 34a_100000708995_100000761012 [2,1,0,0,0,0|1,0,0]=4 1365 B15R1.888 CC(=CCOCc1ccc(c(c1)Br)C)C 34a_100000753907_100012232412 [2,1,0,0,0,0|1,0,0]=4 1366 B15R1.888 CC(=CCOCc1ccc(c(c1)Br)C)C 7a_100000708995_100000761012 [2,1,0,0,0,0|1,0,0]=4 1367 B15R1.888 CC(=CCOCc1ccc(c(c1)C)C)C 34a_100000753907_100000742320 [2,1,0,0,0,0|1,0,0]=4 1368 B15R1.888 CC(=CCOCc1ccc(c(c1)C)C)C 34a_100011215342_100000761012 [2,1,0,0,0,0|1,0,0]=4 1369 B15R1.888 CC(=CCOCc1ccc(c(c1)C)C)C 7a_100011215342_100000761012 [2,1,0,0,0,0|1,0,0]=4 1370 B15R1.888 CC(=CCOCc1ccc(c(c1)Cl)C)C 34a_100000753907_100011823929 [2,1,0,0,0,0|1,0,0]=4 1371 B15R1.888 CC(=CCOCc1ccc(c(c1)Cl)C)C 34a_100011290783_100000761012 [2,1,0,0,0,0|1,0,0]=4 1372 B15R1.888 CC(=CCOCc1ccc(c(c1)Cl)C)C 7a_100011290783_100000761012 [2,1,0,0,0,0|1,0,0]=4 1373 B15R1.888 CC(=CCOCc1ccc(c(c1)F)C)C 34a_100000702247_100000761012 [2,1,0,0,0,0|1,0,0]=4 1374 B15R1.888 CC(=CCOCc1ccc(c(c1)F)C)C 34a_100000753907_100011217369 [2,1,0,0,0,0|1,0,0]=4 1375 B15R1.888 CC(=CCOCc1ccc(c(c1)F)C)C 7a_100000702247_100000761012 [2,1,0,0,0,0|1,0,0]=4 1376 B15R1.888 CC(=CCOCc1ccc(c(c1)I)C)C 34a_100000050133_100000761012 [2,1,0,0,0,0|1,0,0]=4 1377 B15R1.888 CC(=CCOCc1ccc(c(c1)I)C)C 34a_100000753907_100010206137 [2,1,0,0,0,0|1,0,0]=4 1378 B15R1.888 CC(=CCOCc1ccc(c(c1)I)C)C 7a_100000050133_100000761012 [2,1,0,0,0,0|1,0,0]=4 1379 B15R1.888 CC(=CCOCc1ccc(c(c1)N)C)C 34a_100000758420_100000761012 [2,1,0,0,0,0|1,0,0]=4 1380 B15R1.888 CC(=CCSCc1ccc(c(c1)Br)C)C 62a_100000761012_100012232412 [2,1,0,0,0,0|1,0,0]=4 1381 B15R1.888 CC(=CCSCc1ccc(c(c1)Br)C)C 62a_100012232412_100000761012 [2,1,0,0,0,0|1,0,0]=4 1382 B15R1.888 CC(=CCSCc1ccc(c(c1)C)C)C 62a_100000742320_100000761012 [2,1,0,0,0,0|1,0,0]=4 1383 B15R1.888 CC(=CCSCc1ccc(c(c1)C)C)C 62a_100000761012_100000742320 [2,1,0,0,0,0|1,0,0]=4 1384 B15R1.888 CC(=CCSCc1ccc(c(c1)Cl)C)C 62a_100000761012_100011823929 [2,1,0,0,0,0|1,0,0]=4 1385 B15R1.888 CC(=CCSCc1ccc(c(c1)Cl)C)C 62a_100011823929_100000761012 [2,1,0,0,0,0|1,0,0]=4 1386 B15R1.888 CC(=CCSCc1ccc(c(c1)F)C)C 62a_100000761012_100011217369 [2,1,0,0,0,0|1,0,0]=4 1387 B15R1.888 CC(=CCSCc1ccc(c(c1)F)C)C 62a_100011217369_100000761012 [2,1,0,0,0,0|1,0,0]=4 1388 B15R1.888 CC(=CCSCc1ccc(c(c1)I)C)C 62a_100000761012_100010206137 [2,1,0,0,0,0|1,0,0]=4 1389 B15R1.888 CC(=CCSCc1ccc(c(c1)I)C)C 62a_100010206137_100000761012 [2,1,0,0,0,0|1,0,0]=4 1390 B15R1.5821 CC(=CCCNc1ccc(cc1Br)C)C 34a_100000210942_100011217483 [2,1,0,0,0,0|1,0,0]=4 1391 B15R1.5821 CC(=CCCNc1ccc(cc1C)C)C 34a_100000736561_100011217483 [2,1,0,0,0,0|1,0,0]=4 1392 B15R1.5821 CC(=CCCNc1ccc(cc1C)C)C 7a_100000736561_100011217483 [2,1,0,0,0,0|1,0,0]=4 1393 B15R1.5821 CC(=CCCNc1ccc(cc1Cl)C)C 34a_100000210522_100011217483 [2,1,0,0,0,0|1,0,0]=4 1394 B15R1.5821 CC(=CCCNc1ccc(cc1F)C)C 34a_100000211023_100011217483 [2,1,0,0,0,0|1,0,0]=4 1395 B15R1.5821 CC(=CCCNc1ccc(cc1I)C)C 34a_100011356834_100011217483 [2,1,0,0,0,0|1,0,0]=4 1396 B15R1.5821 CC(=CCCNc1ccc(cc1O)C)C 34a_100000211527_100011217483 [2,1,0,0,0,0|1,0,0]=4 1397 B15R1.5821 CC(=CCCOc1ccc(cc1Br)C)C 34a_100000210800_100011217483 [2,1,0,0,0,0|1,0,0]=4 1398 B15R1.5821 CC(=CCCOc1ccc(cc1Br)C)C 7a_100000210800_100011217483 [2,1,0,0,0,0|1,0,0]=4 1399 B15R1.5821 CC(=CCCOc1ccc(cc1C)C)C 34a_100000211776_100011217483 [2,1,0,0,0,0|1,0,0]=4 1400 B15R1.5821 CC(=CCCOc1ccc(cc1C)C)C 7a_100000211776_100011217483 [2,1,0,0,0,0|1,0,0]=4 1401 B15R1.5821 CC(=CCCOc1ccc(cc1Cl)C)C 34a_100000749699_100011217483 [2,1,0,0,0,0|1,0,0]=4 1402 B15R1.5821 CC(=CCCOc1ccc(cc1Cl)C)C 7a_100000749699_100011217483 [2,1,0,0,0,0|1,0,0]=4 1403 B15R1.5821 CC(=CCCOc1ccc(cc1F)C)C 34a_100011216688_100011217483 [2,1,0,0,0,0|1,0,0]=4 1404 B15R1.5821 CC(=CCCOc1ccc(cc1F)C)C 7a_100011216688_100011217483 [2,1,0,0,0,0|1,0,0]=4 1405 B15R1.5821 CC(=CCCOc1ccc(cc1I)C)C 34a_100000765521_100011217483 [2,1,0,0,0,0|1,0,0]=4 1406 B15R1.5821 CC(=CCCOc1ccc(cc1I)C)C 7a_100000765521_100011217483 [2,1,0,0,0,0|1,0,0]=4 1407 B15R1.5821 CC(=CCCOc1ccc(cc1N)C)C 34a_100011215204_100011217483 [2,1,0,0,0,0|1,0,0]=4 1408 B15R1.5821 CC(=CCCOc1ccc(cc1N)C)C 7a_100011215204_100011217483 [2,1,0,0,0,0|1,0,0]=4 1409 B15R1.5821 CC(=CCCSc1ccc(cc1Br)C)C 62a_100009813563_100011217483 [2,1,0,0,0,0|1,0,0]=4 1410 B15R1.5821 CC(=CCCSc1ccc(cc1Br)C)C 62a_100011217483_100009813563 [2,1,0,0,0,0|1,0,0]=4 1411 B15R1.5821 CC(=CCCSc1ccc(cc1C)C)C 62a_100011217332_100011217483 [2,1,0,0,0,0|1,0,0]=4 1412 B15R1.5821 CC(=CCCSc1ccc(cc1C)C)C 62a_100011217483_100011217332 [2,1,0,0,0,0|1,0,0]=4 1413 B15R1.5821 CC(=CCCSc1ccc(cc1Cl)C)C 62a_100011217483_100011263221 [2,1,0,0,0,0|1,0,0]=4 1414 B15R1.5821 CC(=CCCSc1ccc(cc1Cl)C)C 62a_100011263221_100011217483 [2,1,0,0,0,0|1,0,0]=4 1415 B15R1.5821 CC(=CCCSc1ccc(cc1F)C)C 62a_100011216119_100011217483 [2,1,0,0,0,0|1,0,0]=4 1416 B15R1.5821 CC(=CCCSc1ccc(cc1F)C)C 62a_100011217483_100011216119 [2,1,0,0,0,0|1,0,0]=4 1417 B15R1.5821 CC(=CCCSc1ccc(cc1N)C)C 62a_100011216686_100011217483 [2,1,0,0,0,0|1,0,0]=4 1418 B15R1.5821 CC(=CCCSc1ccc(cc1N)C)C 62a_100011217483_100011216686 [2,1,0,0,0,0|1,0,0]=4 1419 B15R1.5821 CC(=CCCSc1ccc(cc1O)C)C 62a_100011217483_100012002257 [2,1,0,0,0,0|1,0,0]=4 1420 B15R1.5821 CC(=CCCSc1ccc(cc1O)C)C 62a_100012002257_100011217483 [2,1,0,0,0,0|1,0,0]=4 1421 B15R1.5821 CC(=CCNCc1ccc(cc1Br)C)C 270004a_100000718196_100000692596 [2,1,0,0,0,0|1,0,0]=4 1422 B15R1.5821 CC(=CCNCc1ccc(cc1C)C)C 270004a_100000718196_100000211342 [2,1,0,0,0,0|1,0,0]=4 1423 B15R1.5821 CC(=CCNCc1ccc(cc1C)C)C 34a_100000718196_100011219618 [2,1,0,0,0,0|1,0,0]=4 1424 B15R1.5821 CC(=CCNCc1ccc(cc1C)C)C 34a_100000737523_100000761012 [2,1,0,0,0,0|1,0,0]=4 1425 B15R1.5821 CC(=CCNCc1ccc(cc1Cl)C)C 270004a_100000718196_100011935181 [2,1,0,0,0,0|1,0,0]=4 1426 B15R1.5821 CC(=CCNCc1ccc(cc1Cl)C)C 34a_100000718196_100012349684 [2,1,0,0,0,0|1,0,0]=4 1427 B15R1.5821 CC(=CCNCc1ccc(cc1Cl)C)C 34a_100011997539_100000761012 [2,1,0,0,0,0|1,0,0]=4 1428 B15R1.5821 CC(=CCNCc1ccc(cc1F)C)C 270004a_100000718196_100011217368 [2,1,0,0,0,0|1,0,0]=4 1429 B15R1.5821 CC(=CCNCc1ccc(cc1F)C)C 34a_100000718196_100012002367 [2,1,0,0,0,0|1,0,0]=4 1430 B15R1.5821 CC(=CCNCc1ccc(cc1F)C)C 34a_100102887089_100000761012 [2,1,0,0,0,0|1,0,0]=4 1431 B15R1.5821 CC(=CCNCc1ccc(cc1I)C)C 270004a_100000718196_100010150104 [2,1,0,0,0,0|1,0,0]=4 1432 B15R1.5821 CC(=CCOCc1ccc(cc1C)C)C 34a_100000753907_100011219618 [2,1,0,0,0,0|1,0,0]=4 1433 B15R1.5821 CC(=CCOCc1ccc(cc1C)C)C 34a_100011215341_100000761012 [2,1,0,0,0,0|1,0,0]=4 1434 B15R1.5821 CC(=CCOCc1ccc(cc1C)C)C 7a_100011215341_100000761012 [2,1,0,0,0,0|1,0,0]=4 1435 B15R1.5821 CC(=CCOCc1ccc(cc1Cl)C)C 34a_100000720314_100000761012 [2,1,0,0,0,0|1,0,0]=4 1436 B15R1.5821 CC(=CCOCc1ccc(cc1Cl)C)C 34a_100000753907_100012349684 [2,1,0,0,0,0|1,0,0]=4 1437 B15R1.5821 CC(=CCOCc1ccc(cc1Cl)C)C 7a_100000720314_100000761012 [2,1,0,0,0,0|1,0,0]=4 1438 B15R1.5821 CC(=CCOCc1ccc(cc1F)C)C 34a_100000753907_100012002367 [2,1,0,0,0,0|1,0,0]=4 1439 B15R1.5821 CC(=CCOCc1ccc(cc1F)C)C 34a_100011216587_100000761012 [2,1,0,0,0,0|1,0,0]=4 1440 B15R1.5821 CC(=CCOCc1ccc(cc1F)C)C 7a_100011216587_100000761012 [2,1,0,0,0,0|1,0,0]=4 1441 B15R1.5821 CC(=CCOCc1ccc(cc1N)C)C 34a_100000087799_100000761012 [2,1,0,0,0,0|1,0,0]=4 1442 B15R1.5821 CC(=CCOCc1ccc(cc1N)C)C 7a_100000087799_100000761012 [2,1,0,0,0,0|1,0,0]=4 1443 B15R1.5821 CC(=CCSCc1ccc(cc1C)C)C 62a_100000761012_100011219618 [2,1,0,0,0,0|1,0,0]=4 1444 B15R1.5821 CC(=CCSCc1ccc(cc1C)C)C 62a_100011219618_100000761012 [2,1,0,0,0,0|1,0,0]=4 1445 B15R1.5821 CC(=CCSCc1ccc(cc1Cl)C)C 62a_100000761012_100012349684 [2,1,0,0,0,0|1,0,0]=4 1446 B15R1.5821 CC(=CCSCc1ccc(cc1Cl)C)C 62a_100012349684_100000761012 [2,1,0,0,0,0|1,0,0]=4 1447 B15R1.5821 CC(=CCSCc1ccc(cc1F)C)C 62a_100000761012_100011217900 [2,1,0,0,0,0|1,0,0]=4 1448 B15R1.5821 CC(=CCSCc1ccc(cc1F)C)C 62a_100011217900_100000761012 [2,1,0,0,0,0|1,0,0]=4 1449 B15R1.3678 CC(C)C(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210206 [2,1,0,0,0,0|0,0,1]=4 1450 B15R1.3678 CN(C)C(=O)C(O)CCc1ccccc1 240690a_100102631434_100000242596 [2,1,0,0,0,0|1,0,0]=4 1451 B15R1.490 CC(=CCNC(C)(C)c1ccccc1)C 2230a_100011218174_100000761012 [2,1,0,0,0,0|1,0,0]=4 1452 B15R1.490 CC(=CCOC(C)(C)c1ccccc1)C 7a_100000694644_100000761012 [2,1,0,0,0,0|1,0,0]=4 1453 B15R1.490 CC(=CCSC(C)(C)c1ccccc1)C 62a_100000034625_100000761012 [2,1,0,0,0,0|1,0,0]=4 1454 B15R1.490 CC(=CCSC(C)(C)c1ccccc1)C 62a_100000761012_100000034625 [2,1,0,0,0,0|1,0,0]=4 1455 B15R1.1078 CC(=CCC(=O)C(C)c1ccccc1)C 1458a_100011220947_100000230085 [2,1,0,0,0,0|0,0,1]=4 1456 B15R1.1078 CC(=CCC(=O)[C@@H](C)c1ccccc1)C 1458a_100000751047_100000761012 [2,1,0,0,0,0|0,0,1]=4 1457 B15R1.1078 CC(=CCN(C)C(C)c1ccccc1)C 2230a_100000195388_100000761012 [2,1,0,0,0,0|1,0,0]=4 1458 B15R1.1078 CC(=CCN(C)C(C)c1ccccc1)C 269982a_100000195388_100000761012 [2,1,0,0,0,0|1,0,0]=4 1459 B15R1.5331 CC(=CCN[C@H](CO)c1ccccc1)C 2230a_100000751927_100000761012 [2,1,0,0,0,0|1,0,0]=4 1460 B15R1.5331 CC(=CCN[C@H](CO)c1ccccc1)C 34a_100000751927_100000761012 [2,1,0,0,0,0|1,0,0]=4 1461 B15R1.5331 CC(=CCOC(CBr)c1ccccc1)C 7a_100000185958_100000761012 [2,1,0,0,0,0|1,0,0]=4 1462 B15R1.5331 CC(=CCOC(CN)c1ccccc1)C 34a_100000210709_100000761012 [2,1,0,0,0,0|1,0,0]=4 1463 B15R1.5331 CC(=CCO[C@H](CCl)c1ccccc1)C 34a_100011933945_100000761012 [2,1,0,0,0,0|1,0,0]=4 1464 B15R1.5331 CC(=CCO[C@H](CCl)c1ccccc1)C 7a_100011933945_100000761012 [2,1,0,0,0,0|1,0,0]=4 1465 B15R1.5331 CCC(NCC=C(C)C)c1ccccc1 2230a_100000737752_100000761012 [2,1,0,0,0,0|1,0,0]=4 1466 B15R1.5331 CCC(OCC=C(C)C)c1ccccc1 34a_100000698172_100000761012 [2,1,0,0,0,0|1,0,0]=4 1467 B15R1.5331 CCC(OCC=C(C)C)c1ccccc1 7a_100000698172_100000761012 [2,1,0,0,0,0|1,0,0]=4 1468 B15R1.5331 CCN(CCC=C(C)C)c1ccccc1 2230a_100000210013_100011217483 [2,1,0,0,0,0|1,0,0]=4 1469 B15R1.5331 CCN(CCC=C(C)C)c1ccccc1 269982a_100000210013_100011217483 [2,1,0,0,0,0|1,0,0]=4 1470 B15R1.5331 CCN(CCC=C(C)C)c1ccccc1 34a_100000210013_100011217483 [2,1,0,0,0,0|1,0,0]=4 1471 B15R1.8019 CC(=CCCN(C)c1ccccc1Br)C 2230a_100020606079_100011217483 [2,1,0,0,0,0|1,0,0]=4 1472 B15R1.8019 CC(=CCCN(C)c1ccccc1Br)C 269982a_100020606079_100011217483 [2,1,0,0,0,0|1,0,0]=4 1473 B15R1.8019 CC(=CCCN(C)c1ccccc1Br)C 34a_100020606079_100011217483 [2,1,0,0,0,0|1,0,0]=4 1474 B15R1.8019 CC(=CCCN(C)c1ccccc1C)C 2230a_100000219699_100011217483 [2,1,0,0,0,0|1,0,0]=4 1475 B15R1.8019 CC(=CCCN(C)c1ccccc1C)C 269982a_100000219699_100011217483 [2,1,0,0,0,0|1,0,0]=4 1476 B15R1.8019 CC(=CCCN(C)c1ccccc1C)C 34a_100000219699_100011217483 [2,1,0,0,0,0|1,0,0]=4 1477 B15R1.8019 CC(=CCCN(C)c1ccccc1Cl)C 2230a_100000219374_100011217483 [2,1,0,0,0,0|1,0,0]=4 1478 B15R1.8019 CC(=CCCN(C)c1ccccc1Cl)C 269982a_100000219374_100011217483 [2,1,0,0,0,0|1,0,0]=4 1479 B15R1.8019 CC(=CCCN(C)c1ccccc1Cl)C 34a_100000219374_100011217483 [2,1,0,0,0,0|1,0,0]=4 1480 B15R1.8019 CC(=CCCN(C)c1ccccc1F)C 2230a_100000220357_100011217483 [2,1,0,0,0,0|1,0,0]=4 1481 B15R1.8019 CC(=CCCN(C)c1ccccc1F)C 269982a_100000220357_100011217483 [2,1,0,0,0,0|1,0,0]=4 1482 B15R1.8019 CC(=CCCN(C)c1ccccc1F)C 34a_100000220357_100011217483 [2,1,0,0,0,0|1,0,0]=4 1483 B15R1.8019 CC(=CCCN(C)c1ccccc1O)C 269982a_100000033821_100011217483 [2,1,0,0,0,0|1,0,0]=4 1484 B15R1.8019 CC(=CCNC(C)c1ccccc1Br)C 2230a_100000181357_100000761012 [2,1,0,0,0,0|1,0,0]=4 1485 B15R1.8019 CC(=CCNC(C)c1ccccc1C)C 2230a_100000181355_100000761012 [2,1,0,0,0,0|1,0,0]=4 1486 B15R1.8019 CC(=CCNC(C)c1ccccc1C)C 34a_100000181355_100000761012 [2,1,0,0,0,0|1,0,0]=4 1487 B15R1.8019 CC(=CCNC(C)c1ccccc1Cl)C 2230a_100000174978_100000761012 [2,1,0,0,0,0|1,0,0]=4 1488 B15R1.8019 CC(=CCNC(C)c1ccccc1Cl)C 34a_100000174978_100000761012 [2,1,0,0,0,0|1,0,0]=4 1489 B15R1.8019 CC(=CCNC(C)c1ccccc1F)C 2230a_100000181408_100000761012 [2,1,0,0,0,0|1,0,0]=4 1490 B15R1.8019 CC(=CCNC(C)c1ccccc1F)C 34a_100000181408_100000761012 [2,1,0,0,0,0|1,0,0]=4 1491 B15R1.8019 CC(=CCNC(C)c1ccccc1F)C 34a_100000718196_200000741388 [2,1,0,0,0,0|1,0,0]=4 1492 B15R1.8019 CC(=CCN[C@H](C)c1ccccc1O)C 2230a_100025703389_100000761012 [2,1,0,0,0,0|1,0,0]=4 1493 B15R1.8019 CC(=CCOC(C)c1ccccc1Br)C 34a_100000702211_100000761012 [2,1,0,0,0,0|1,0,0]=4 1494 B15R1.8019 CC(=CCOC(C)c1ccccc1Br)C 7a_100000702211_100000761012 [2,1,0,0,0,0|1,0,0]=4 1495 B15R1.8019 CC(=CCOC(C)c1ccccc1C)C 34a_100000742021_100000761012 [2,1,0,0,0,0|1,0,0]=4 1496 B15R1.8019 CC(=CCOC(C)c1ccccc1C)C 7a_100000742021_100000761012 [2,1,0,0,0,0|1,0,0]=4 1497 B15R1.8019 CC(=CCOC(C)c1ccccc1Cl)C 34a_100000740796_100000761012 [2,1,0,0,0,0|1,0,0]=4 1498 B15R1.8019 CC(=CCOC(C)c1ccccc1Cl)C 7a_100000740796_100000761012 [2,1,0,0,0,0|1,0,0]=4 1499 B15R1.8019 CC(=CCOC(C)c1ccccc1F)C 34a_100000697922_100000761012 [2,1,0,0,0,0|1,0,0]=4 1500 B15R1.8019 CC(=CCOC(C)c1ccccc1F)C 34a_100000753907_200000741388 [2,1,0,0,0,0|1,0,0]=4 1501 B15R1.8019 CC(=CCOC(C)c1ccccc1F)C 7a_100000697922_100000761012 [2,1,0,0,0,0|1,0,0]=4 1502 B15R1.8019 CC(=CCOC(C)c1ccccc1N)C 7a_100011405641_100000761012 [2,1,0,0,0,0|1,0,0]=4 1503 B15R1.8019 CC(=CCSC(C)c1ccccc1Cl)C 62a_100000181259_100000761012 [2,1,0,0,0,0|1,0,0]=4 1504 B15R1.8019 CC(=CCSC(C)c1ccccc1Cl)C 62a_100000761012_100000181259 [2,1,0,0,0,0|1,0,0]=4 1505 B15R1.8019 CC(=CCSC(C)c1ccccc1F)C 62a_100000761012_200000741388 [2,1,0,0,0,0|1,0,0]=4 1506 B15R1.8019 CC(=CCSC(C)c1ccccc1F)C 62a_200000741388_100000761012 [2,1,0,0,0,0|1,0,0]=4 1507 B15R1.8273 CC(=CCCN(C)c1cccc(c1)Br)C 2230a_100000219648_100011217483 [2,1,0,0,0,0|1,0,0]=4 1508 B15R1.8273 CC(=CCCN(C)c1cccc(c1)Br)C 269982a_100000219648_100011217483 [2,1,0,0,0,0|1,0,0]=4 1509 B15R1.8273 CC(=CCCN(C)c1cccc(c1)Br)C 34a_100000219648_100011217483 [2,1,0,0,0,0|1,0,0]=4 1510 B15R1.8273 CC(=CCCN(C)c1cccc(c1)C)C 2230a_100000219674_100011217483 [2,1,0,0,0,0|1,0,0]=4 1511 B15R1.8273 CC(=CCCN(C)c1cccc(c1)C)C 269982a_100000219674_100011217483 [2,1,0,0,0,0|1,0,0]=4 1512 B15R1.8273 CC(=CCCN(C)c1cccc(c1)C)C 34a_100000219674_100011217483 [2,1,0,0,0,0|1,0,0]=4 1513 B15R1.8273 CC(=CCCN(C)c1cccc(c1)Cl)C 2230a_100000220044_100011217483 [2,1,0,0,0,0|1,0,0]=4 1514 B15R1.8273 CC(=CCCN(C)c1cccc(c1)Cl)C 269982a_100000220044_100011217483 [2,1,0,0,0,0|1,0,0]=4 1515 B15R1.8273 CC(=CCCN(C)c1cccc(c1)Cl)C 34a_100000220044_100011217483 [2,1,0,0,0,0|1,0,0]=4 1516 B15R1.8273 CC(=CCCN(C)c1cccc(c1)F)C 2230a_100020633736_100011217483 [2,1,0,0,0,0|1,0,0]=4 1517 B15R1.8273 CC(=CCCN(C)c1cccc(c1)F)C 269982a_100020633736_100011217483 [2,1,0,0,0,0|1,0,0]=4 1518 B15R1.8273 CC(=CCCN(C)c1cccc(c1)F)C 34a_100020633736_100011217483 [2,1,0,0,0,0|1,0,0]=4 1519 B15R1.8273 CC(=CCCN(C)c1cccc(c1)I)C 2230a_100000221217_100011217483 [2,1,0,0,0,0|1,0,0]=4 1520 B15R1.8273 CC(=CCCN(C)c1cccc(c1)I)C 269982a_100000221217_100011217483 [2,1,0,0,0,0|1,0,0]=4 1521 B15R1.8273 CC(=CCCN(C)c1cccc(c1)I)C 34a_100000221217_100011217483 [2,1,0,0,0,0|1,0,0]=4 1522 B15R1.8273 CC(=CCCN(C)c1cccc(c1)O)C 2230a_100000756613_100011217483 [2,1,0,0,0,0|1,0,0]=4 1523 B15R1.8273 CC(=CCCN(C)c1cccc(c1)O)C 269982a_100000756613_100011217483 [2,1,0,0,0,0|1,0,0]=4 1524 B15R1.8273 CC(=CCCN(C)c1cccc(c1)O)C 34a_100000756613_100011217483 [2,1,0,0,0,0|1,0,0]=4 1525 B15R1.8273 CC(=CCNC(C)c1cccc(c1)Br)C 2230a_100020642005_100000761012 [2,1,0,0,0,0|1,0,0]=4 1526 B15R1.8273 CC(=CCNC(C)c1cccc(c1)Cl)C 2230a_100102723534_100000761012 [2,1,0,0,0,0|1,0,0]=4 1527 B15R1.8273 CC(=CCNC(C)c1cccc(c1)Cl)C 34a_100102723534_100000761012 [2,1,0,0,0,0|1,0,0]=4 1528 B15R1.8273 CC(=CCNC(C)c1cccc(c1)O)C 2230a_100000740644_100000761012 [2,1,0,0,0,0|1,0,0]=4 1529 B15R1.8273 CC(=CCN[C@H](C)c1cccc(c1)C)C 2230a_100000698126_100000761012 [2,1,0,0,0,0|1,0,0]=4 1530 B15R1.8273 CC(=CCN[C@H](C)c1cccc(c1)C)C 34a_100000698126_100000761012 [2,1,0,0,0,0|1,0,0]=4 1531 B15R1.8273 CC(=CCN[C@H](C)c1cccc(c1)F)C 2230a_100015193778_100000761012 [2,1,0,0,0,0|1,0,0]=4 1532 B15R1.8273 CC(=CCN[C@H](C)c1cccc(c1)F)C 34a_100015193778_100000761012 [2,1,0,0,0,0|1,0,0]=4 1533 B15R1.8273 CC(=CCOC(C)c1cccc(c1)Br)C 34a_100000246457_100000761012 [2,1,0,0,0,0|1,0,0]=4 1534 B15R1.8273 CC(=CCOC(C)c1cccc(c1)Br)C 7a_100000246457_100000761012 [2,1,0,0,0,0|1,0,0]=4 1535 B15R1.8273 CC(=CCOC(C)c1cccc(c1)C)C 34a_100000757818_100000761012 [2,1,0,0,0,0|1,0,0]=4 1536 B15R1.8273 CC(=CCOC(C)c1cccc(c1)C)C 7a_100000757818_100000761012 [2,1,0,0,0,0|1,0,0]=4 1537 B15R1.8273 CC(=CCOC(C)c1cccc(c1)F)C 34a_100000744526_100000761012 [2,1,0,0,0,0|1,0,0]=4 1538 B15R1.8273 CC(=CCOC(C)c1cccc(c1)F)C 7a_100000744526_100000761012 [2,1,0,0,0,0|1,0,0]=4 1539 B15R1.8273 CC(=CCOC(C)c1cccc(c1)I)C 34a_100013085317_100000761012 [2,1,0,0,0,0|1,0,0]=4 1540 B15R1.8273 CC(=CCOC(C)c1cccc(c1)I)C 7a_100013085317_100000761012 [2,1,0,0,0,0|1,0,0]=4 1541 B15R1.8273 CC(=CCOC(C)c1cccc(c1)N)C 34a_100011217120_100000761012 [2,1,0,0,0,0|1,0,0]=4 1542 B15R1.8273 CC(=CCOC(C)c1cccc(c1)N)C 7a_100011217120_100000761012 [2,1,0,0,0,0|1,0,0]=4 1543 B15R1.8273 CC(=CCO[C@H](C)c1cccc(c1)Cl)C 34a_100000747380_100000761012 [2,1,0,0,0,0|1,0,0]=4 1544 B15R1.8273 CC(=CCO[C@H](C)c1cccc(c1)Cl)C 7a_100000747380_100000761012 [2,1,0,0,0,0|1,0,0]=4 1545 B15R1.5 COc1ccc(cc1)N(C)CC=C(C)C 2230a_100000220023_100000761012 [1,1,0,0,1,0|1,0,0]=4 1546 B15R1.5 COc1ccc(cc1)N(C)CC=C(C)C 269982a_100000220023_100000761012 [1,1,0,0,1,0|1,0,0]=4 1547 B15R1.5 COc1ccc(cc1)N(C)CC=C(C)C 34a_100000220023_100000761012 [1,1,0,0,1,0|1,0,0]=4 1548 B15R1.659 CCN(CC=C(C)C)c1ccc(cc1)C 2230a_100000219985_100000761012 [1,1,0,0,1,0|1,0,0]=4 1549 B15R1.659 CCN(CC=C(C)C)c1ccc(cc1)C 269982a_100000219985_100000761012 [1,1,0,0,1,0|1,0,0]=4 1550 B15R1.659 CCN(CC=C(C)C)c1ccc(cc1)C 34a_100000219985_100000761012 [1,1,0,0,1,0|1,0,0]=4 1551 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Br)C)C 2230a_100000707694_100000761012 [1,1,0,0,1,0|1,0,0]=4 1552 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Br)C)C 269982a_100000707694_100000761012 [1,1,0,0,1,0|1,0,0]=4 1553 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Br)C)C 34a_100000707694_100000761012 [1,1,0,0,1,0|1,0,0]=4 1554 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Br)C)C 38a_100000707694_100000211835 [1,1,0,0,1,0|1,0,0]=4 1555 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Cl)C)C 2230a_100000220120_100000761012 [1,1,0,0,1,0|1,0,0]=4 1556 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Cl)C)C 269982a_100000220120_100000761012 [1,1,0,0,1,0|1,0,0]=4 1557 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Cl)C)C 34a_100000220120_100000761012 [1,1,0,0,1,0|1,0,0]=4 1558 B15R1.889 CC(=CCN(C)c1ccc(c(c1)Cl)C)C 38a_100000220120_100000211835 [1,1,0,0,1,0|1,0,0]=4 1559 B15R1.889 CC(=CCN(C)c1ccc(c(c1)F)C)C 2230a_100160572069_100000761012 [1,1,0,0,1,0|1,0,0]=4 1560 B15R1.889 CC(=CCN(C)c1ccc(c(c1)F)C)C 269982a_100160572069_100000761012 [1,1,0,0,1,0|1,0,0]=4 1561 B15R1.889 CC(=CCN(C)c1ccc(c(c1)F)C)C 34a_100160572069_100000761012 [1,1,0,0,1,0|1,0,0]=4 1562 B15R1.889 CC(=CCN(C)c1ccc(c(c1)F)C)C 38a_100160572069_100000211835 [1,1,0,0,1,0|1,0,0]=4 1563 B15R1.889 CC(=CCN(C)c1ccc(c(c1)F)C)C 7a_100160572069_100000761012 [1,1,0,0,1,0|1,0,0]=4 1564 B15R1.5822 CC(=CCN(C)c1ccc(cc1Br)C)C 2230a_100000221369_100000761012 [1,1,0,0,1,0|1,0,0]=4 1565 B15R1.5822 CC(=CCN(C)c1ccc(cc1Br)C)C 269982a_100000221369_100000761012 [1,1,0,0,1,0|1,0,0]=4 1566 B15R1.5822 CC(=CCN(C)c1ccc(cc1Br)C)C 34a_100000221369_100000761012 [1,1,0,0,1,0|1,0,0]=4 1567 B17R1.1 COc1ccc(cc1)CCOC(C)C=C(C)C 34a_100000717055_100000184700 [1,1,0,0,0,1|1,0,0]=4 1568 B17R1.239 C=Cc1ccc(cc1)C(C)NCCC=C(C)C 2230a_200012023546_100011217483 [1,1,0,0,0,1|0,0,1]=4 1569 B17R1.239 C=Cc1ccc(cc1)C(C)NCCC=C(C)C 34a_200012023546_100011217483 [1,1,0,0,0,1|0,0,1]=4 1570 B17R1.239 CC(=CCCN[C@H](C)c1ccc(cc1)C#N)C 2230a_100016991473_100011217483 [1,1,0,0,0,1|0,0,1]=4 1571 B17R1.239 CC(=CCCN[C@H](C)c1ccc(cc1)C#N)C 34a_100016991473_100011217483 [1,1,0,0,0,1|0,0,1]=4 1572 B17R1.239 CC(=CCCOC(C)c1ccc(cc1)CN)C 34a_200000048501_100011217483 [1,1,0,0,0,1|0,0,0]=3 1573 B17R1.239 CC(=CCCO[C@@H](C)c1ccc(cc1)C#N)C 34a_100011852132_100011217483 [1,1,0,0,0,1|0,0,1]=4 1574 B17R1.239 CC(=CCCO[C@@H](C)c1ccc(cc1)C#N)C 7a_100011852132_100011217483 [1,1,0,0,0,1|0,0,1]=4 1575 B17R1.239 CCc1ccc(cc1)C(C)NCCC=C(C)C 2230a_100015186439_100011217483 [1,1,0,0,0,1|0,0,0]=3 1576 B17R1.239 CCc1ccc(cc1)C(C)NCCC=C(C)C 34a_100015186439_100011217483 [1,1,0,0,0,1|0,0,0]=3 1577 B17R1.239 CCc1ccc(cc1)C(C)OCCC=C(C)C 34a_100011232672_100011217483 [1,1,0,0,0,1|0,0,0]=3 1578 B17R1.239 CCc1ccc(cc1)C(C)OCCC=C(C)C 7a_100011232672_100011217483 [1,1,0,0,0,1|0,0,0]=3 1579 B17R1.239 COc1ccc(cc1)C(C)OCCC=C(C)C 34a_100000742907_100011217483 [1,1,0,0,0,1|0,0,0]=3 1580 B17R1.239 COc1ccc(cc1)C(C)OCCC=C(C)C 7a_100000742907_100011217483 [1,1,0,0,0,1|0,0,0]=3 1581 B17R1.239 COc1ccc(cc1)C(N)COCC=C(C)C 34a_100000751956_100000761012 [1,1,0,0,0,1|1,0,0]=4 1582 B17R1.239 COc1ccc(cc1)C(O)CNCC=C(C)C 2230a_100000738651_100000761012 [1,1,0,0,0,1|1,0,0]=4 1583 B17R1.239 COc1ccc(cc1)C(O)CNCC=C(C)C 34a_100000738651_100000761012 [1,1,0,0,0,1|1,0,0]=4 1584 B17R1.239 COc1ccc(cc1)[C@@H](C)NCCC=C(C)C 2230a_100011830352_100011217483 [1,1,0,0,0,1|0,0,0]=3 1585 B17R1.239 CSc1ccc(cc1)C(C)NCCC=C(C)C 2230a_100000738722_100011217483 [1,1,0,0,0,1|0,0,0]=3 1586 B17R1.1061 Cc1ccc(cc1)C(C)NCCC(=O)N(C)C 2230a_100000738053_100011261388 [1,1,0,0,0,1|1,0,0]=4 1587 B17R1.1061 Cc1ccc(cc1)C(C)NCCC(=O)N(C)C 269862a_100000738053_100000185793 [1,1,0,0,0,1|1,0,0]=4 1588 B17R1.1061 Cc1ccc(cc1)C(C)OCCC(=O)N(C)C 34a_200000747469_100011261388 [1,1,0,0,0,1|1,0,0]=4 1589 B17R1.1061 Cc1ccc(cc1)C(C)SCCC(=O)N(C)C 62a_100000737620_100011261388 [1,1,0,0,0,1|1,0,0]=4 1590 B17R1.1061 Cc1ccc(cc1)C(C)SCCC(=O)N(C)C 62a_100011261388_100000737620 [1,1,0,0,0,1|1,0,0]=4 1591 B17R1.1061 Cc1ccc(cc1)[C@@H](C)NCCC(=O)N(C)C 2230a_100016988085_100000737620 [1,1,0,0,0,1|1,0,0]=4 1592 B17R1.1061 Cc1ccc(cc1)[C@@H](C)OCCC(=O)N(C)C 7a_100000690690_100000737620 [1,1,0,0,0,1|1,0,0]=4 1593 B17R1.1069 CC(=CCCC(=O)C(C)c1ccc(cc1)C)C 1458a_100000751627_100011217483 [1,1,0,0,0,1|0,0,0]=3 1594 B17R1.1069 CC(=CCCC(=O)C(C)c1ccc(cc1)Cl)C 1458a_100011216001_100011217483 [1,1,0,0,0,1|1,0,0]=4 1595 B17R1.1069 CC(=CCCC(=O)C(C)c1ccc(cc1)F)C 1458a_100011435297_100011217483 [1,1,0,0,0,1|1,0,0]=4 1596 B17R1.1069 CC(=CCCC(=O)C(C)c1ccc(cc1)O)C 1458a_100000031422_100011217483 [1,1,0,0,0,1|1,0,0]=4 1597 B17R1.1069 CC(=CCCC(=O)[C@H](O)c1ccc(cc1)C)C 1458a_100009815954_100011217483 [1,1,0,0,0,1|1,0,0]=4 1598 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)Br)C 2230a_100000231103_100011217483 [1,1,0,0,0,1|1,0,0]=4 1599 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)Br)C 269982a_100000231103_100011217483 [1,1,0,0,0,1|1,0,0]=4 1600 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)Cl)C 2230a_100000231102_100011217483 [1,1,0,0,0,1|1,0,0]=4 1601 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)Cl)C 269982a_100000231102_100011217483 [1,1,0,0,0,1|1,0,0]=4 1602 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)F)C 2230a_100000222788_100011217483 [1,1,0,0,0,1|1,0,0]=4 1603 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)F)C 269982a_100000222788_100011217483 [1,1,0,0,0,1|1,0,0]=4 1604 B17R1.1069 CC(=CCCN(C)C(C)c1ccc(cc1)F)C 34a_100000222788_100011217483 [1,1,0,0,0,1|1,0,0]=4 1605 B17R1.1069 CC(=CCNC(=O)C(C)c1ccc(cc1)C)C 11a_100000718196_100000751627 [1,1,0,0,0,1|0,0,1]=4 1606 B17R1.1069 CC(=CCNC(=O)C(C)c1ccc(cc1)C)C 1626a_100000718196_100000751627 [1,1,0,0,0,1|0,0,1]=4 1607 B17R1.1069 CC(=CCNC(=O)C(C)c1ccc(cc1)C)C 527a_100000718196_100000751627 [1,1,0,0,0,1|0,0,1]=4 1608 B17R1.1085 CC(=CCCNC(C)(C)c1ccc(cc1)Br)C 2230a_100000739617_100011217483 [1,1,0,0,0,1|1,0,0]=4 1609 B17R1.1085 CC(=CCCNC(C)(C)c1ccc(cc1)C)C 2230a_200011345931_100011217483 [1,1,0,0,0,1|0,0,0]=3 1610 B17R1.1085 CC(=CCCNC(C)(C)c1ccc(cc1)C)C 34a_200011345931_100011217483 [1,1,0,0,0,1|0,0,0]=3 1611 B17R1.1085 CC(=CCCNC(C)(C)c1ccc(cc1)Cl)C 2230a_100000750703_100011217483 [1,1,0,0,0,1|1,0,0]=4 1612 B17R1.1085 CC(=CCCNC(C)(C)c1ccc(cc1)F)C 2230a_100015193028_100011217483 [1,1,0,0,0,1|1,0,0]=4 1613 B17R1.1085 CC(=CCCNC(C)(C)c1ccc(cc1)F)C 34a_100015193028_100011217483 [1,1,0,0,0,1|1,0,0]=4 1614 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)Br)C 34a_100000753367_100011217483 [1,1,0,0,0,1|1,0,0]=4 1615 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)Br)C 7a_100000753367_100011217483 [1,1,0,0,0,1|1,0,0]=4 1616 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)C)C 34a_200011345916_100011217483 [1,1,0,0,0,1|0,0,0]=3 1617 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)C)C 7a_200011345916_100011217483 [1,1,0,0,0,1|0,0,0]=3 1618 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)Cl)C 34a_100000750429_100011217483 [1,1,0,0,0,1|1,0,0]=4 1619 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)Cl)C 7a_100000750429_100011217483 [1,1,0,0,0,1|1,0,0]=4 1620 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)F)C 34a_100011219992_100011217483 [1,1,0,0,0,1|1,0,0]=4 1621 B17R1.1085 CC(=CCCOC(C)(C)c1ccc(cc1)F)C 7a_100011219992_100011217483 [1,1,0,0,0,1|1,0,0]=4 1622 B17R1.1085 CC(=CCNCC(C)(C)c1ccc(cc1)Br)C 270004a_100000718196_100010228009 [1,1,0,0,0,1|1,0,0]=4 1623 B17R1.1085 CC(=CCNCC(C)(C)c1ccc(cc1)Cl)C 2230a_100000742012_100000761012 [1,1,0,0,0,1|1,0,0]=4 1624 B17R1.1085 CC(=CCOCC(C)(C)c1ccc(cc1)Cl)C 34a_100000068334_100000761012 [1,1,0,0,0,1|1,0,0]=4 1625 B17R1.1085 CC(=CCOCC(C)(C)c1ccc(cc1)Cl)C 7a_100000068334_100000761012 [1,1,0,0,0,1|1,0,0]=4 1626 B17R1.1085 CC(=CCOCC(C)(C)c1ccc(cc1)N)C 34a_103496529068_100000761012 [1,1,0,0,0,1|1,0,0]=4 1627 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)C)F)C 2230a_100000705826_100011217483 [1,1,0,0,0,1|1,0,0]=4 1628 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)C)F)C 34a_100000705826_100011217483 [1,1,0,0,0,1|1,0,0]=4 1629 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)Cl)C)C 2230a_100012005020_100011217483 [1,1,0,0,0,1|0,0,0]=3 1630 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)Cl)C)C 34a_100012005020_100011217483 [1,1,0,0,0,1|0,0,0]=3 1631 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)Cl)Cl)C 2230a_100000743459_100011217483 [1,1,0,0,0,1|1,0,0]=4 1632 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)Cl)Cl)C 34a_100000743459_100011217483 [1,1,0,0,0,1|1,0,0]=4 1633 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)F)F)C 2230a_100000756309_100011217483 [1,1,0,0,0,1|1,0,0]=4 1634 B17R1.1146 CC(=CCCNC(C)c1ccc(c(c1)F)F)C 34a_100000756309_100011217483 [1,1,0,0,0,1|1,0,0]=4 1635 B17R1.1146 CC(=CCCN[C@@H](C)c1ccc(c(c1)Br)F)C 2230a_100000753309_100011217483 [1,1,0,0,0,1|1,0,0]=4 1636 B17R1.1146 CC(=CCCN[C@@H](C)c1ccc(c(c1)Br)F)C 34a_100000753309_100011217483 [1,1,0,0,0,1|1,0,0]=4 1637 B17R1.1146 CC(=CCCN[C@@H](C)c1ccc(c(c1)F)Br)C 2230a_100134618348_100011217483 [1,1,0,0,0,1|1,0,0]=4 1638 B17R1.1146 CC(=CCCN[C@@H](C)c1ccc(c(c1)F)Br)C 34a_100134618348_100011217483 [1,1,0,0,0,1|1,0,0]=4 1639 B17R1.1146 CC(=CCCN[C@@H](C)c1ccc(c(c1)F)C)C 2230a_100011997884_100011217483 [1,1,0,0,0,1|0,0,0]=3 1640 B17R1.1146 CC(=CCCN[C@@H](C)c1ccc(c(c1)F)C)C 34a_100011997884_100011217483 [1,1,0,0,0,1|0,0,0]=3 1641 B17R1.1146 CC(=CCCN[C@H](C)c1ccc(c(c1)C)C)C 2230a_100015184928_100011217483 [1,1,0,0,0,1|0,0,0]=3 1642 B17R1.1146 CC(=CCCN[C@H](C)c1ccc(c(c1)C)C)C 34a_100015184928_100011217483 [1,1,0,0,0,1|0,0,0]=3 1643 B17R1.1146 CC(=CCCN[C@H](C)c1ccc(c(c1)Cl)F)C 2230a_100016987892_100011217483 [1,1,0,0,0,1|1,0,0]=4 1644 B17R1.1146 CC(=CCCN[C@H](C)c1ccc(c(c1)Cl)F)C 34a_100016987892_100011217483 [1,1,0,0,0,1|1,0,0]=4 1645 B17R1.1146 CC(=CCCN[C@H](C)c1ccc(c(c1)F)Cl)C 2230a_100016987903_100011217483 [1,1,0,0,0,1|1,0,0]=4 1646 B17R1.1146 CC(=CCCN[C@H](C)c1ccc(c(c1)F)Cl)C 34a_100016987903_100011217483 [1,1,0,0,0,1|1,0,0]=4 1647 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)Br)F)C 34a_100011191524_100011217483 [1,1,0,0,0,1|1,0,0]=4 1648 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)Br)F)C 7a_100011191524_100011217483 [1,1,0,0,0,1|1,0,0]=4 1649 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)Cl)Cl)C 34a_100000742046_100011217483 [1,1,0,0,0,1|1,0,0]=4 1650 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)Cl)Cl)C 7a_100000742046_100011217483 [1,1,0,0,0,1|1,0,0]=4 1651 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)F)Cl)C 34a_100011944057_100011217483 [1,1,0,0,0,1|1,0,0]=4 1652 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)F)Cl)C 7a_100011944057_100011217483 [1,1,0,0,0,1|1,0,0]=4 1653 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)F)F)C 34a_100000246517_100011217483 [1,1,0,0,0,1|1,0,0]=4 1654 B17R1.1146 CC(=CCCOC(C)c1ccc(c(c1)F)F)C 7a_100000246517_100011217483 [1,1,0,0,0,1|1,0,0]=4 1655 B17R1.2433 CC(=CCCNC(CO)c1ccc(cc1)Br)C 2230a_100000734186_100011217483 [1,1,0,0,0,1|1,0,0]=4 1656 B17R1.2433 CC(=CCCNC(CO)c1ccc(cc1)Br)C 34a_100000734186_100011217483 [1,1,0,0,0,1|1,0,0]=4 1657 B17R1.2433 CC(=CCCNC(CO)c1ccc(cc1)F)C 2230a_100000705410_100011217483 [1,1,0,0,0,1|1,0,0]=4 1658 B17R1.2433 CC(=CCCNC(CO)c1ccc(cc1)F)C 34a_100000705410_100011217483 [1,1,0,0,0,1|1,0,0]=4 1659 B17R1.2433 CC(=CCCN[C@@H](CO)c1ccc(cc1)C)C 2230a_100009818840_100011217483 [1,1,0,0,0,1|0,0,0]=3 1660 B17R1.2433 CC(=CCCN[C@@H](CO)c1ccc(cc1)C)C 34a_100009818840_100011217483 [1,1,0,0,0,1|0,0,0]=3 1661 B17R1.2433 CC(=CCCN[C@H](CO)c1ccc(cc1)Cl)C 2230a_100009818818_100011217483 [1,1,0,0,0,1|1,0,0]=4 1662 B17R1.2433 CC(=CCCN[C@H](CO)c1ccc(cc1)Cl)C 34a_100009818818_100011217483 [1,1,0,0,0,1|1,0,0]=4 1663 B17R1.2433 CC(=CCCOC(CCl)c1ccc(cc1)Cl)C 34a_200011996143_100011217483 [1,1,0,0,0,1|1,0,0]=4 1664 B17R1.2433 CC(=CCCOC(CCl)c1ccc(cc1)Cl)C 7a_200011996143_100011217483 [1,1,0,0,0,1|1,0,0]=4 1665 B17R1.2433 CC(=CCCOC(CN)c1ccc(cc1)Br)C 34a_100020626992_100011217483 [1,1,0,0,0,1|1,0,0]=4 1666 B17R1.2433 CC(=CCCOC(CN)c1ccc(cc1)Cl)C 34a_100000736658_100011217483 [1,1,0,0,0,1|1,0,0]=4 1667 B17R1.2433 CC(=CCCO[C@@H](C#N)c1ccc(cc1)C)C 34a_200009814964_100011217483 [1,1,0,0,0,1|0,0,1]=4 1668 B17R1.2433 CC(=CCCO[C@@H](C#N)c1ccc(cc1)C)C 7a_200009814964_100011217483 [1,1,0,0,0,1|0,0,1]=4 1669 B17R1.2433 CC(=CCCO[C@@H](CCl)c1ccc(cc1)F)C 34a_100000720402_100011217483 [1,1,0,0,0,1|1,0,0]=4 1670 B17R1.2433 CC(=CCCO[C@@H](CCl)c1ccc(cc1)F)C 7a_100000720402_100011217483 [1,1,0,0,0,1|1,0,0]=4 1671 B17R1.2433 CCC(NCCC=C(C)C)c1ccc(cc1)C 2230a_100000749201_100011217483 [1,1,0,0,0,1|0,0,0]=3 1672 B17R1.2433 CCC(NCCC=C(C)C)c1ccc(cc1)C 34a_100000749201_100011217483 [1,1,0,0,0,1|0,0,0]=3 1673 B17R1.2433 CCC(NCCC=C(C)C)c1ccc(cc1)F 2230a_100011191751_100011217483 [1,1,0,0,0,1|1,0,0]=4 1674 B17R1.2433 CCC(NCCC=C(C)C)c1ccc(cc1)F 34a_100011191751_100011217483 [1,1,0,0,0,1|1,0,0]=4 1675 B17R1.2433 CCC(NCCC=C(C)C)c1ccc(cc1)O 34a_100015187210_100011217483 [1,1,0,0,0,1|1,0,0]=4 1676 B17R1.2433 CCC(NCCC=C(C)C)c1ccc(cn1)C 2230a_100015185231_100011217483 [1,1,0,0,0,1|1,0,0]=4 1677 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)Br 34a_100000246506_100011217483 [1,1,0,0,0,1|1,0,0]=4 1678 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)Br 7a_100000246506_100011217483 [1,1,0,0,0,1|1,0,0]=4 1679 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)C 34a_100000246521_100011217483 [1,1,0,0,0,1|0,0,0]=3 1680 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)C 7a_100000246521_100011217483 [1,1,0,0,0,1|0,0,0]=3 1681 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)Cl 34a_100000246471_100011217483 [1,1,0,0,0,1|1,0,0]=4 1682 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)Cl 7a_100000246471_100011217483 [1,1,0,0,0,1|1,0,0]=4 1683 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)F 34a_100000246474_100011217483 [1,1,0,0,0,1|1,0,0]=4 1684 B17R1.2433 CCC(OCCC=C(C)C)c1ccc(cc1)F 7a_100000246474_100011217483 [1,1,0,0,0,1|1,0,0]=4 1685 B17R1.2433 CC[C@H](NCCC=C(C)C)c1ccc(cc1)Br 2230a_100025736560_100011217483 [1,1,0,0,0,1|1,0,0]=4 1686 B17R1.2433 CC[C@H](NCCC=C(C)C)c1ccc(cc1)Br 34a_100025736560_100011217483 [1,1,0,0,0,1|1,0,0]=4 1687 B17R1.2433 CC[C@H](NCCC=C(C)C)c1ccc(cc1)Cl 2230a_100015186824_100011217483 [1,1,0,0,0,1|1,0,0]=4 1688 B17R1.2433 CC[C@H](NCCC=C(C)C)c1ccc(cc1)Cl 34a_100015186824_100011217483 [1,1,0,0,0,1|1,0,0]=4 1689 B17R1.14628 CC(=CCCNC(C)c1ccc(cc1Cl)Cl)C 2230a_100000179772_100011217483 [1,1,0,0,0,1|1,0,0]=4 1690 B17R1.14628 CC(=CCCNC(C)c1ccc(cc1Cl)Cl)C 34a_100000179772_100011217483 [1,1,0,0,0,1|1,0,0]=4 1691 B17R1.14628 CC(=CCCNC(C)c1ccc(cc1F)Br)C 2230a_100000730447_100011217483 [1,1,0,0,0,1|1,0,0]=4 1692 B17R1.14628 CC(=CCCNC(C)c1ccc(cc1F)Br)C 34a_100000730447_100011217483 [1,1,0,0,0,1|1,0,0]=4 1693 B17R1.14628 CC(=CCCNC(C)c1ccc(cc1F)F)C 2230a_100000181410_100011217483 [1,1,0,0,0,1|1,0,0]=4 1694 B17R1.14628 CC(=CCCNC(C)c1ccc(cc1F)F)C 34a_100000181410_100011217483 [1,1,0,0,0,1|1,0,0]=4 1695 B17R1.14628 CC(=CCCN[C@@H](C)c1ccc(cc1C)C)C 2230a_100000745882_100011217483 [1,1,0,0,0,1|0,0,0]=3 1696 B17R1.14628 CC(=CCCN[C@@H](C)c1ccc(cc1C)C)C 34a_100000745882_100011217483 [1,1,0,0,0,1|0,0,0]=3 1697 B17R1.14628 CC(=CCCN[C@@H](C)c1ccc(cc1C)Cl)C 2230a_100020633667_100011217483 [1,1,0,0,0,1|1,0,0]=4 1698 B17R1.14628 CC(=CCCN[C@@H](C)c1ccc(cc1C)Cl)C 34a_100020633667_100011217483 [1,1,0,0,0,1|1,0,0]=4 1699 B17R1.14628 CC(=CCCN[C@H](C)c1ccc(cc1Br)F)C 2230a_100025704064_100011217483 [1,1,0,0,0,1|1,0,0]=4 1700 B17R1.14628 CC(=CCCN[C@H](C)c1ccc(cc1Br)F)C 34a_100025704064_100011217483 [1,1,0,0,0,1|1,0,0]=4 1701 B17R1.14628 CC(=CCCN[C@H](C)c1ccc(cc1Cl)F)C 2230a_100015196781_100011217483 [1,1,0,0,0,1|1,0,0]=4 1702 B17R1.14628 CC(=CCCN[C@H](C)c1ccc(cc1Cl)F)C 34a_100015196781_100011217483 [1,1,0,0,0,1|1,0,0]=4 1703 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1C)C)C 34a_100000246504_100011217483 [1,1,0,0,0,1|0,0,0]=3 1704 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1C)C)C 7a_100000246504_100011217483 [1,1,0,0,0,1|0,0,0]=3 1705 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1Cl)Cl)C 34a_100000743050_100011217483 [1,1,0,0,0,1|1,0,0]=4 1706 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1Cl)Cl)C 7a_100000743050_100011217483 [1,1,0,0,0,1|1,0,0]=4 1707 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1Cl)F)C 34a_200011245020_100011217483 [1,1,0,0,0,1|1,0,0]=4 1708 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1Cl)F)C 7a_200011245020_100011217483 [1,1,0,0,0,1|1,0,0]=4 1709 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1F)Cl)C 34a_200011805215_100011217483 [1,1,0,0,0,1|1,0,0]=4 1710 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1F)Cl)C 7a_200011805215_100011217483 [1,1,0,0,0,1|1,0,0]=4 1711 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1F)F)C 34a_200000246518_100011217483 [1,1,0,0,0,1|1,0,0]=4 1712 B17R1.14628 CC(=CCCOC(C)c1ccc(cc1F)F)C 7a_200000246518_100011217483 [1,1,0,0,0,1|1,0,0]=4 1713 B17R1.196 CCc1ccc(cc1)CN(C)CCC=C(C)C 2230a_100000683253_100011217483 [1,1,0,0,0,1|1,0,0]=4 1714 B17R1.196 CCc1ccc(cc1)CN(C)CCC=C(C)C 269982a_100000683253_100011217483 [1,1,0,0,0,1|1,0,0]=4 1715 B17R1.196 COc1ccc(cc1)CC(C)NCC=C(C)C 270004a_100000718196_100000211147 [1,1,0,0,0,1|1,0,0]=4 1716 B17R1.196 COc1ccc(cc1)CN(C)CCC=C(C)C 2230a_100000184145_100011217483 [1,1,0,0,0,1|1,0,0]=4 1717 B17R1.196 COc1ccc(cc1)CN(C)CCC=C(C)C 269982a_100000184145_100011217483 [1,1,0,0,0,1|1,0,0]=4 1718 B17R1.196 CSc1ccc(cc1)CN(C)CCC=C(C)C 2230a_102495365258_100011217483 [1,1,0,0,0,1|1,0,0]=4 1719 B17R1.196 CSc1ccc(cc1)CN(C)CCC=C(C)C 269982a_102495365258_100011217483 [1,1,0,0,0,1|1,0,0]=4 1720 B17R1.1066 CC(=CCCN(C)Cc1ccc(c(c1)C)C)C 2230a_100015204808_100011217483 [1,1,0,0,0,1|1,0,0]=4 1721 B17R1.1066 CC(=CCCN(C)Cc1ccc(c(c1)C)C)C 269982a_100015204808_100011217483 [1,1,0,0,0,1|1,0,0]=4 1722 B17R1.1066 CC(=CCCN(C)Cc1ccc(c(c1)C)C)C 34a_100015204808_100011217483 [1,1,0,0,0,1|1,0,0]=4 1723 B17R1.3214 CCN(CCC=C(C)C)Cc1ccc(cc1)C 2230a_100000180869_100011217483 [1,1,0,0,0,1|1,0,0]=4 1724 B17R1.3214 CCN(CCC=C(C)C)Cc1ccc(cc1)C 269982a_100000180869_100011217483 [1,1,0,0,0,1|1,0,0]=4 1725 B17R1.8293 CC(=CCOC(C)(C)Cc1ccc(cc1)C)C 7a_200011350412_100000761012 [1,1,0,0,0,1|1,0,0]=4 1726 B17R1.14626 CC(=CCCN(C)Cc1ccc(cc1C)C)C 2230a_100025771030_100011217483 [1,1,0,0,0,1|1,0,0]=4 1727 B17R1.14626 CC(=CCCN(C)Cc1ccc(cc1C)C)C 269982a_100025771030_100011217483 [1,1,0,0,0,1|1,0,0]=4 1728 B17R1.14626 CC(=CCCN(C)Cc1ccc(cc1C)C)C 34a_100025771030_100011217483 [1,1,0,0,0,1|1,0,0]=4 1729 B17R1.14626 CC(=CCNC(C)Cc1ccc(cc1C)C)C 270004a_100000718196_200000075425 [1,1,0,0,0,1|1,0,0]=4 1730 B17R1.216 COc1ccc(cc1)C(C)(C)NCC=C(C)C 2230a_200015186604_100000761012 [1,2,0,0,0,0|1,0,0]=4 1731 B17R1.216 COc1ccc(cc1)C(C)(C)OCC=C(C)C 34a_100000744786_100000761012 [1,2,0,0,0,0|1,0,0]=4 1732 B17R1.216 COc1ccc(cc1)C(C)(C)OCC=C(C)C 7a_100000744786_100000761012 [1,2,0,0,0,0|1,0,0]=4 1733 B17R1.227 CCC(NCC=C(C)C)c1ccc(cc1)OC 2230a_100000195527_100000761012 [1,2,0,0,0,0|1,0,0]=4 1734 B17R1.227 CCC(NCC=C(C)C)c1ccc(cc1)OC 34a_100000195527_100000761012 [1,2,0,0,0,0|1,0,0]=4 1735 B17R1.227 CCC(OCC=C(C)C)c1ccc(cc1)OC 34a_100000246523_100000761012 [1,2,0,0,0,0|1,0,0]=4 1736 B17R1.227 CCC(OCC=C(C)C)c1ccc(cc1)OC 7a_100000246523_100000761012 [1,2,0,0,0,0|1,0,0]=4 1737 B17R1.227 CCc1ccc(cc1)[C@H](CC)NCC=C(C)C 2230a_100020633697_100000761012 [1,2,0,0,0,0|1,0,0]=4 1738 B17R1.227 CCc1ccc(cc1)[C@H](CC)NCC=C(C)C 34a_100020633697_100000761012 [1,2,0,0,0,0|1,0,0]=4 1739 B17R1.227 COc1ccc(cc1)C(CN)OCC=C(C)C 34a_100000738651_100000761012 [1,2,0,0,0,0|1,0,0]=4 1740 B17R1.227 COc1ccc(cc1)C(CO)NCC=C(C)C 2230a_100000751956_100000761012 [1,2,0,0,0,0|1,0,0]=4 1741 B17R1.227 COc1ccc(cc1)C(CO)NCC=C(C)C 34a_100000751956_100000761012 [1,2,0,0,0,0|1,0,0]=4 1742 B17R1.240 COc1ccc(cc1)C(C)C(=O)CC=C(C)C 1458a_100000753396_100000761012 [1,2,0,0,0,0|0,0,1]=4 1743 B17R1.240 COc1ccc(cc1)C(C)N(C)CC=C(C)C 2230a_100000736477_100000761012 [1,2,0,0,0,0|1,0,0]=4 1744 B17R1.240 COc1ccc(cc1)C(C)N(C)CC=C(C)C 269982a_100000736477_100000761012 [1,2,0,0,0,0|1,0,0]=4 1745 B17R1.4768 COc1ccc(cc1Br)C(C)OCC=C(C)C 34a_100000246541_100000761012 [1,2,0,0,0,0|1,0,0]=4 1746 B17R1.4768 COc1ccc(cc1Br)C(C)OCC=C(C)C 7a_100000246541_100000761012 [1,2,0,0,0,0|1,0,0]=4 1747 B17R1.4768 COc1ccc(cc1C)C(C)NCC=C(C)C 2230a_100015183133_100000761012 [1,2,0,0,0,0|1,0,0]=4 1748 B17R1.4768 COc1ccc(cc1C)C(C)NCC=C(C)C 34a_100015183133_100000761012 [1,2,0,0,0,0|1,0,0]=4 1749 B17R1.4768 COc1ccc(cc1F)C(C)NCC=C(C)C 2230a_100000204609_100000761012 [1,2,0,0,0,0|1,0,0]=4 1750 B17R1.4768 COc1ccc(cc1F)C(C)NCC=C(C)C 34a_100000204609_100000761012 [1,2,0,0,0,0|1,0,0]=4 1751 B17R1.4768 COc1ccc(cc1F)C(C)OCC=C(C)C 34a_100000242639_100000761012 [1,2,0,0,0,0|1,0,0]=4 1752 B17R1.4768 COc1ccc(cc1F)C(C)OCC=C(C)C 7a_100000242639_100000761012 [1,2,0,0,0,0|1,0,0]=4 1753 B17R1.4768 COc1ccc(cc1I)C(C)OCC=C(C)C 34a_202516928852_100000761012 [1,2,0,0,0,0|1,0,0]=4 1754 B17R1.4768 COc1ccc(cc1I)C(C)OCC=C(C)C 7a_202516928852_100000761012 [1,2,0,0,0,0|1,0,0]=4 1755 B17R1.4768 COc1ccc(cc1I)N(C)CCC=C(C)C 269982a_114948341033_100011217483 [1,2,0,0,0,0|1,0,0]=4 1756 B17R1.4768 COc1ccc(cc1I)N(C)CCC=C(C)C 34a_114948341033_100011217483 [1,2,0,0,0,0|1,0,0]=4 1757 B17R1.8600 CCOc1ccc(cc1)C(C)NCC=C(C)C 2230a_100000740525_100000761012 [1,2,0,0,0,0|1,0,0]=4 1758 B17R1.8600 CCOc1ccc(cc1)N(C)CCC=C(C)C 2230a_100025784348_100011217483 [1,2,0,0,0,0|1,0,0]=4 1759 B17R1.8600 CCOc1ccc(cc1)N(C)CCC=C(C)C 269982a_100025784348_100011217483 [1,2,0,0,0,0|1,0,0]=4 1760 B17R1.8600 CCOc1ccc(cc1)N(C)CCC=C(C)C 34a_100025784348_100011217483 [1,2,0,0,0,0|1,0,0]=4 1761 B17R1.8600 CCOc1ccc(cc1)[C@@H](C)OCC=C(C)C 34a_100000761365_100000761012 [1,2,0,0,0,0|1,0,0]=4 1762 B17R1.8600 CCOc1ccc(cc1)[C@@H](C)OCC=C(C)C 7a_100000761365_100000761012 [1,2,0,0,0,0|1,0,0]=4 1763 B17R1.16380 CC(=CCCN(C)c1ccc(cc1)C(C)C)C 2230a_100000688768_100011217483 [1,2,0,0,0,0|1,0,0]=4 1764 B17R1.16380 CC(=CCCN(C)c1ccc(cc1)C(C)C)C 269982a_100000688768_100011217483 [1,2,0,0,0,0|1,0,0]=4 1765 B17R1.16380 CC(=CCCN(C)c1ccc(cc1)C(C)C)C 34a_100000688768_100011217483 [1,2,0,0,0,0|1,0,0]=4 1766 B17R1.16380 CC(=CCNC(C)c1ccc(cc1)C(C)C)C 2230a_100000181356_100000761012 [1,2,0,0,0,0|1,0,0]=4 1767 B17R1.16380 CC(=CCNC(C)c1ccc(cc1)C(C)C)C 34a_100000181356_100000761012 [1,2,0,0,0,0|1,0,0]=4 1768 B17R1.16380 CC(=CCSC(C)c1ccc(cc1)C(C)C)C 62a_100000761012_200000700246 [1,2,0,0,0,0|1,0,0]=4 1769 B17R1.16380 CC(=CCSC(C)c1ccc(cc1)C(C)C)C 62a_200000700246_100000761012 [1,2,0,0,0,0|1,0,0]=4 1770 B17R1.29017 COc1ccc(c(c1)Br)C(C)OCC=C(C)C 34a_100000697252_100000761012 [1,2,0,0,0,0|1,0,0]=4 1771 B17R1.29017 COc1ccc(c(c1)Br)C(C)OCC=C(C)C 7a_100000697252_100000761012 [1,2,0,0,0,0|1,0,0]=4 1772 B17R1.29017 COc1ccc(c(c1)C)N(C)CCC=C(C)C 2230a_103496583619_100011217483 [1,2,0,0,0,0|1,0,0]=4 1773 B17R1.29017 COc1ccc(c(c1)C)N(C)CCC=C(C)C 269982a_103496583619_100011217483 [1,2,0,0,0,0|1,0,0]=4 1774 B17R1.29017 COc1ccc(c(c1)C)N(C)CCC=C(C)C 34a_103496583619_100011217483 [1,2,0,0,0,0|1,0,0]=4 1775 B17R1.29017 COc1ccc(c(c1)Cl)[C@H](C)NCC=C(C)C 2230a_100132314089_100000761012 [1,2,0,0,0,0|1,0,0]=4 1776 B17R1.29017 COc1ccc(c(c1)Cl)[C@H](C)NCC=C(C)C 34a_100132314089_100000761012 [1,2,0,0,0,0|1,0,0]=4 1777 B17R1.29017 COc1ccc(c(c1)F)[C@@H](C)NCC=C(C)C 2230a_100016991463_100000761012 [1,2,0,0,0,0|1,0,0]=4 1778 B17R1.29017 COc1ccc(c(c1)F)[C@@H](C)NCC=C(C)C 34a_100016991463_100000761012 [1,2,0,0,0,0|1,0,0]=4 1779 B17R1.1086 CC(=CCC(=O)C(C)(C)c1ccc(cc1)C)C 1458a_100000751694_100000761012 [1,2,0,0,0,0|0,0,1]=4 1780 B17R1.1086 CC(=CCC(=O)C(C)(O)c1ccc(cc1)C)C 1458a_100011434902_100000761012 [1,2,0,0,0,0|0,0,1]=4 1781 B17R1.59288 CCC(NCC=C(C)C)c1ccc(c(c1)C)C 2230a_200011220179_100000761012 [1,2,0,0,0,0|1,0,0]=4 1782 B17R1.59288 CCC(NCC=C(C)C)c1ccc(c(c1)C)C 34a_200011220179_100000761012 [1,2,0,0,0,0|1,0,0]=4 1783 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)C)C 2230a_106256033975_100011217483 [1,2,0,0,0,0|1,0,0]=4 1784 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)C)C 269982a_106256033975_100011217483 [1,2,0,0,0,0|1,0,0]=4 1785 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)C)C 34a_106256033975_100011217483 [1,2,0,0,0,0|1,0,0]=4 1786 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)C)C 7a_106256033975_100011217483 [1,2,0,0,0,0|1,0,0]=4 1787 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)F)C 2230a_100015205639_100011217483 [1,2,0,0,0,0|1,0,0]=4 1788 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)F)C 269982a_100015205639_100011217483 [1,2,0,0,0,0|1,0,0]=4 1789 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)F)C 34a_100015205639_100011217483 [1,2,0,0,0,0|1,0,0]=4 1790 B17R1.59288 CCN(CCC=C(C)C)c1ccc(c(c1)F)C 7a_100015205639_100011217483 [1,2,0,0,0,0|1,0,0]=4 1791 B17R1.5155 CC(=CCNC(CCO)c1ccc(cc1)C)C 2230a_100011661551_100000761012 [1,2,0,0,0,0|1,0,0]=4 1792 B17R1.5155 CC(=CCNC(CCO)c1ccc(cc1)C)C 34a_100011661551_100000761012 [1,2,0,0,0,0|1,0,0]=4 1793 B17R1.5155 CCC[C@@H](NCC=C(C)C)c1ccc(cc1)C 2230a_200020633650_100000761012 [1,2,0,0,0,0|1,0,0]=4 1794 B17R1.5155 CCC[C@@H](NCC=C(C)C)c1ccc(cc1)C 34a_200020633650_100000761012 [1,2,0,0,0,0|1,0,0]=4 1795 B17R1.23527 CC(=CCCN(c1ccc(cc1)C)C(C)C)C 2230a_100000748792_100011217483 [1,2,0,0,0,0|1,0,0]=4 1796 B17R1.23527 CC(=CCCN(c1ccc(cc1)C)C(C)C)C 269982a_100000748792_100011217483 [1,2,0,0,0,0|1,0,0]=4 1797 B17R1.23527 CC(=CCCN(c1ccc(cc1)C)C(C)C)C 34a_100000748792_100011217483 [1,2,0,0,0,0|1,0,0]=4 1798 B17R1.23527 CC(=CCCN(c1ccc(cc1)C)C(C)C)C 7a_100000748792_100011217483 [1,2,0,0,0,0|1,0,0]=4 1799 B17R1.23527 CC(=CCN[C@H](c1ccc(cc1)C)C(C)C)C 2230a_100020633675_100000761012 [1,2,0,0,0,0|1,0,0]=4 1800 B17R1.23527 CC(=CCN[C@H](c1ccc(cc1)C)C(C)C)C 34a_100020633675_100000761012 [1,2,0,0,0,0|1,0,0]=4 1801 B17R1.247951 CCC(NCC=C(C)C)c1ccc(cc1C)C 2230a_100015185828_100000761012 [1,2,0,0,0,0|1,0,0]=4 1802 B17R1.247951 CCC(NCC=C(C)C)c1ccc(cc1C)C 34a_100015185828_100000761012 [1,2,0,0,0,0|1,0,0]=4 1803 B17R1.34975 CC(=CCCN(C)c1c(cc(cc1C)C)C)C 2230a_200011806176_100011217483 [1,2,0,0,0,0|1,0,0]=4 1804 B17R1.34975 CC(=CCCN(C)c1c(cc(cc1C)C)C)C 269982a_200011806176_100011217483 [1,2,0,0,0,0|1,0,0]=4 1805 B17R1.34975 CC(=CCCN(C)c1c(cc(cc1C)C)C)C 34a_200011806176_100011217483 [1,2,0,0,0,0|1,0,0]=4 1806 B19R1.42568 CC(=CCC(NC(C)c1ccc(cc1)C)C(=O)O)C 269956a_100102631519_100011261388 [0,2,0,0,0,1|1,0,0]=4 1807 B15R2.91 Cc1ccc(cc1)C(C)N2CC=CC2 269982a_100015195280_100011261388 [2,0,0,1,0,0|1,0,0]=4 1808 B15R2.68818 CC(=CCSC1Cc2c1cccc2)C 62a_100000761012_100009813401 [2,0,0,1,0,0|1,0,0]=4 1809 B15R2.68818 CC(=CCSC1Cc2c1cccc2)C 62a_100009813401_100000761012 [2,0,0,1,0,0|1,0,0]=4 1810 B15R2.3 Cc1ccc(cc1)C2CCN(CC2)C 2230a_100025753735_200000210301 [1,0,0,1,1,0|1,0,0]=4 1811 B15R2.3 Cc1ccc(cc1)C2CCN(CC2)C 269982a_100025753735_200000210301 [1,0,0,1,1,0|1,0,0]=4 1812 B15R2.3 Cc1ccc(cc1)C2CCN(CC2)C 34a_100025753735_200000210301 [1,0,0,1,1,0|1,0,0]=4 1813 B15R2.3 Cc1ccc(cc1)C2CCN(CC2)[13CH3] 2230a_100025753735_200025704644 [1,0,0,1,1,0|1,0,0]=4 1814 B15R2.3 Cc1ccc(cc1)C2CCN(CC2)[13CH3] 269982a_100025753735_200025704644 [1,0,0,1,1,0|1,0,0]=4 1815 B15R2.3 Cc1ccc(cc1)C2CCN(CC2)[13CH3] 34a_100025753735_200025704644 [1,0,0,1,1,0|1,0,0]=4 1816 B17R2.18905 CC(=CCNC1CC1c2ccc(cc2)Br)C 2230a_100000755575_100000761012 [1,0,0,1,0,1|1,0,0]=4 1817 B17R2.18905 CC(=CCNC1CC1c2ccc(cc2)Br)C 34a_100000755575_100000761012 [1,0,0,1,0,1|1,0,0]=4 1818 B17R2.18905 CC(=CCN[C@@H]1C[C@H]1c2ccc(cc2)F)C 2230a_100025713227_100000761012 [1,0,0,1,0,1|1,0,0]=4 1819 B17R2.18905 CC(=CCN[C@@H]1C[C@H]1c2ccc(cc2)F)C 34a_100025713227_100000761012 [1,0,0,1,0,1|1,0,0]=4 1820 B17R2.217 CC1=CCN(CC1)C(C)c2ccc(cc2)C 2230a_100000693516_100011261388 [1,1,0,1,0,0|1,0,0]=4 1821 B17R2.217 CC1=CCN(CC1)C(C)c2ccc(cc2)C 269982a_100000693516_100011261388 [1,1,0,1,0,0|1,0,0]=4 1822 B17R2.217 CC1=CCN(CC1)C(C)c2ccc(cc2)C 34a_100000693516_100011261388 [1,1,0,1,0,0|1,0,0]=4 1823 B17R2.56415 CC(=CCNC1(CC1)c2ccc(cc2)C)C 2230a_100015187186_100000761012 [1,1,0,1,0,0|1,0,0]=4 1824 B17R2.56415 CC(=CCNC1(CC1)c2ccc(cc2)C)C 34a_100015187186_100000761012 [1,1,0,1,0,0|1,0,0]=4 1825 B17R2.3451 CC(=CCNC1CCc2c1ccc(c2)C)C 2230a_200000746848_100000761012 [1,1,0,1,0,0|1,0,0]=4 1826 B17R2.3451 CC(=CCNC1CCc2c1ccc(c2)C)C 34a_200000746848_100000761012 [1,1,0,1,0,0|1,0,0]=4 1827 B17R2.3451 CC(=CCOC1CCc2c1ccc(c2)C)C 34a_100000103036_100000761012 [1,1,0,1,0,0|1,0,0]=4 1828 B17R2.3451 CC(=CCOC1CCc2c1ccc(c2)C)C 7a_100000103036_100000761012 [1,1,0,1,0,0|1,0,0]=4 1829 B13R1.513 CC(=CCNc1ccc(cc1)C)C 34a_100000124888_100000761012 [2,0,0,0,1,0|1,0,0]=4 1830 B13R1.513 CC(=CCOc1ccc(cc1)C)C 34a_100000210336_100000761012 [2,0,0,0,1,0|1,0,0]=4 1831 B13R1.513 CC(=CCOc1ccc(cc1)C)C 7a_100000210336_100000761012 [2,0,0,0,1,0|1,0,0]=4 1832 B13R1.513 CC(=CCSc1ccc(cc1)C)C 62a_100000186775_100000761012 [2,0,0,0,1,0|1,0,0]=4 1833 B13R1.513 CC(=CCSc1ccc(cc1)C)C 62a_100000761012_100000186775 [2,0,0,0,1,0|1,0,0]=4 1834 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [2,0,0,0,1,0|1,0,0]=4 1835 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [2,0,0,0,1,0|1,0,0]=4 1836 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [2,0,0,0,1,0|1,0,0]=4 1837 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [2,0,0,0,1,0|1,0,0]=4 1838 B13R1.45 CC(=CCN(C)c1ccccc1)C 2230a_100000210012_100000761012 [2,0,0,0,1,0|1,0,0]=4 1839 B13R1.45 CC(=CCN(C)c1ccccc1)C 269982a_100000210012_100000761012 [2,0,0,0,1,0|1,0,0]=4 1840 B13R1.45 CC(=CCN(C)c1ccccc1)C 34a_100000210012_100000761012 [2,0,0,0,1,0|1,0,0]=4 1841 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [2,0,0,0,1,0|1,0,0]=4 1842 B15R1.89 C/C=C/C(C)OCC(C)c1ccccc1 34a_200102604097_100000756946 [2,0,0,0,0,1|1,0,0]=4 1843 B15R1.11 C/C=C/C(C)OCCc1ccc(cc1)C 34a_200102604097_100011713686 [2,0,0,0,0,1|1,0,0]=4 1844 B15R1.871 CC(=CCCNCc1ccc(cc1)Br)C 2230a_100000174875_100011217483 [2,0,0,0,0,1|1,0,0]=4 1845 B15R1.871 CC(=CCCNCc1ccc(cc1)Br)C 34a_100000174875_100011217483 [2,0,0,0,0,1|1,0,0]=4 1846 B15R1.871 CC(=CCCNCc1ccc(cc1)C)C 2230a_100000174908_100011217483 [2,0,0,0,0,1|0,0,0]=3 1847 B15R1.871 CC(=CCCNCc1ccc(cc1)C)C 34a_100000174908_100011217483 [2,0,0,0,0,1|0,0,0]=3 1848 B15R1.871 CC(=CCCNCc1ccc(cc1)Cl)C 2230a_100000174871_100011217483 [2,0,0,0,0,1|1,0,0]=4 1849 B15R1.871 CC(=CCCNCc1ccc(cc1)Cl)C 34a_100000174871_100011217483 [2,0,0,0,0,1|1,0,0]=4 1850 B15R1.871 CC(=CCCNCc1ccc(cc1)F)C 2230a_100000174882_100011217483 [2,0,0,0,0,1|1,0,0]=4 1851 B15R1.871 CC(=CCCNCc1ccc(cc1)F)C 34a_100000174882_100011217483 [2,0,0,0,0,1|1,0,0]=4 1852 B15R1.871 CC(=CCCNCc1ccc(cc1)I)C 2230a_100016989417_100011217483 [2,0,0,0,0,1|1,0,0]=4 1853 B15R1.871 CC(=CCCNCc1ccc(cc1)I)C 34a_100016989417_100011217483 [2,0,0,0,0,1|1,0,0]=4 1854 B15R1.871 CC(=CCCNCc1ccc(cc1)O)C 34a_100000185549_100011217483 [2,0,0,0,0,1|1,0,0]=4 1855 B15R1.871 CC(=CCCNCc1ccc(cn1)C)C 34a_100015187455_100011217483 [2,0,0,0,0,1|1,0,0]=4 1856 B15R1.871 CC(=CCCNCc1ccc(nc1)C)C 34a_100000740942_100011217483 [2,0,0,0,0,1|1,0,0]=4 1857 B15R1.871 CC(=CCCOCc1cc[n+](cc1)C)C 34a_100009831711_100011217483 [2,0,0,0,0,1|1,0,0]=4 1858 B15R1.871 CC(=CCCOCc1ccc(cc1)Br)C 34a_100000695286_100011217483 [2,0,0,0,0,1|1,0,0]=4 1859 B15R1.871 CC(=CCCOCc1ccc(cc1)C)C 34a_100011215236_100011217483 [2,0,0,0,0,1|0,0,0]=3 1860 B15R1.871 CC(=CCCOCc1ccc(cc1)C)C 7a_100011215236_100011217483 [2,0,0,0,0,1|0,0,0]=3 1861 B15R1.871 CC(=CCCOCc1ccc(cc1)Cl)C 34a_100000211118_100011217483 [2,0,0,0,0,1|1,0,0]=4 1862 B15R1.871 CC(=CCCOCc1ccc(cc1)Cl)C 7a_100000211118_100011217483 [2,0,0,0,0,1|1,0,0]=4 1863 B15R1.871 CC(=CCCOCc1ccc(cc1)F)C 34a_100000210977_100011217483 [2,0,0,0,0,1|1,0,0]=4 1864 B15R1.871 CC(=CCCOCc1ccc(cc1)F)C 7a_100000210977_100011217483 [2,0,0,0,0,1|1,0,0]=4 1865 B15R1.871 CC(=CCCOCc1ccc(cc1)I)C 34a_100000690907_100011217483 [2,0,0,0,0,1|1,0,0]=4 1866 B15R1.871 CC(=CCCOCc1ccc(cc1)I)C 7a_100000690907_100011217483 [2,0,0,0,0,1|1,0,0]=4 1867 B15R1.871 CC(=CCCOCc1ccc(cc1)N)C 34a_100011215238_100011217483 [2,0,0,0,0,1|1,0,0]=4 1868 B15R1.871 CC(=CCCOCc1ccc(cn1)C)C 34a_100012001401_100011217483 [2,0,0,0,0,1|1,0,0]=4 1869 B15R1.871 CC(=CCCOCc1ccc(nc1)C)C 34a_100011248133_100011217483 [2,0,0,0,0,1|1,0,0]=4 1870 B15R1.871 CC(=CCCSCc1ccc(cc1)Br)C 62a_100000189115_100011217483 [2,0,0,0,0,1|1,0,0]=4 1871 B15R1.871 CC(=CCCSCc1ccc(cc1)Br)C 62a_100011217483_100000189115 [2,0,0,0,0,1|1,0,0]=4 1872 B15R1.871 CC(=CCCSCc1ccc(cc1)C)C 62a_100000210814_100011217483 [2,0,0,0,0,1|0,0,0]=3 1873 B15R1.871 CC(=CCCSCc1ccc(cc1)C)C 62a_100011217483_100000210814 [2,0,0,0,0,1|0,0,0]=3 1874 B15R1.871 CC(=CCCSCc1ccc(cc1)Cl)C 62a_100000187161_100011217483 [2,0,0,0,0,1|1,0,0]=4 1875 B15R1.871 CC(=CCCSCc1ccc(cc1)Cl)C 62a_100011217483_100000187161 [2,0,0,0,0,1|1,0,0]=4 1876 B15R1.871 CC(=CCCSCc1ccc(cc1)F)C 62a_100000198546_100011217483 [2,0,0,0,0,1|1,0,0]=4 1877 B15R1.871 CC(=CCCSCc1ccc(cc1)F)C 62a_100011217483_100000187164 [2,0,0,0,0,1|1,0,0]=4 1878 B15R1.871 CC(=CCCSCc1ccc(cc1)I)C 62a_100000189116_100011217483 [2,0,0,0,0,1|1,0,0]=4 1879 B15R1.871 CC(=CCCSCc1ccc(cc1)I)C 62a_100011217483_100000189116 [2,0,0,0,0,1|1,0,0]=4 1880 B15R1.871 CC(=CCCSCc1ccc(cn1)C)C 62a_100000691093_100011217483 [2,0,0,0,0,1|1,0,0]=4 1881 B15R1.871 CC(=CCCSCc1ccc(cn1)C)C 62a_100011217483_100000691093 [2,0,0,0,0,1|1,0,0]=4 1882 B15R1.871 CC(=CCCSCc1ccc(nc1)C)C 62a_100011217483_100016987292 [2,0,0,0,0,1|1,0,0]=4 1883 B15R1.871 CC(=CCCSCc1ccc(nc1)C)C 62a_100016987292_100011217483 [2,0,0,0,0,1|1,0,0]=4 1884 B15R1.871 CC(=CCNCCc1ccc(cc1)Br)C 2230a_100000755846_100000761012 [2,0,0,0,0,1|1,0,0]=4 1885 B15R1.871 CC(=CCNCCc1ccc(cc1)Br)C 34a_100000718196_100011740612 [2,0,0,0,0,1|1,0,0]=4 1886 B15R1.871 CC(=CCNCCc1ccc(cc1)Br)C 34a_100000755846_100000761012 [2,0,0,0,0,1|1,0,0]=4 1887 B15R1.871 CC(=CCNCCc1ccc(cc1)C)C 2230a_100000705350_100000761012 [2,0,0,0,0,1|0,0,0]=3 1888 B15R1.871 CC(=CCNCCc1ccc(cc1)C)C 34a_100000705350_100000761012 [2,0,0,0,0,1|0,0,0]=3 1889 B15R1.871 CC(=CCNCCc1ccc(cc1)C)C 34a_100000718196_100011713686 [2,0,0,0,0,1|0,0,0]=3 1890 B15R1.871 CC(=CCNCCc1ccc(cc1)Cl)C 2230a_100000185265_100000761012 [2,0,0,0,0,1|1,0,0]=4 1891 B15R1.871 CC(=CCNCCc1ccc(cc1)Cl)C 34a_100000185265_100000761012 [2,0,0,0,0,1|1,0,0]=4 1892 B15R1.871 CC(=CCNCCc1ccc(cc1)Cl)C 34a_100000718196_100011713675 [2,0,0,0,0,1|1,0,0]=4 1893 B15R1.871 CC(=CCNCCc1ccc(cc1)F)C 2230a_100000199005_100000761012 [2,0,0,0,0,1|1,0,0]=4 1894 B15R1.871 CC(=CCNCCc1ccc(cc1)F)C 34a_100000199005_100000761012 [2,0,0,0,0,1|1,0,0]=4 1895 B15R1.871 CC(=CCNCCc1ccc(cc1)F)C 34a_100000718196_100011217392 [2,0,0,0,0,1|1,0,0]=4 1896 B15R1.871 CC(=CCNCCc1ccc(cc1)O)C 34a_100000743037_100000761012 [2,0,0,0,0,1|1,0,0]=4 1897 B15R1.871 CC(=CCOCCc1ccc(cc1)Br)C 34a_100000753907_100011740612 [2,0,0,0,0,1|1,0,0]=4 1898 B15R1.871 CC(=CCOCCc1ccc(cc1)Br)C 34a_100000766406_100000761012 [2,0,0,0,0,1|1,0,0]=4 1899 B15R1.871 CC(=CCOCCc1ccc(cc1)Br)C 7a_100000766406_100000761012 [2,0,0,0,0,1|1,0,0]=4 1900 B15R1.871 CC(=CCOCCc1ccc(cc1)C)C 34a_100000753907_100011713686 [2,0,0,0,0,1|0,0,0]=3 1901 B15R1.871 CC(=CCOCCc1ccc(cc1)C)C 34a_100000756670_100000761012 [2,0,0,0,0,1|0,0,0]=3 1902 B15R1.871 CC(=CCOCCc1ccc(cc1)C)C 7a_100000756670_100000761012 [2,0,0,0,0,1|0,0,0]=3 1903 B15R1.871 CC(=CCOCCc1ccc(cc1)Cl)C 34a_100000753907_100011713675 [2,0,0,0,0,1|1,0,0]=4 1904 B15R1.871 CC(=CCOCCc1ccc(cc1)Cl)C 34a_100011219627_100000761012 [2,0,0,0,0,1|1,0,0]=4 1905 B15R1.871 CC(=CCOCCc1ccc(cc1)Cl)C 7a_100011219627_100000761012 [2,0,0,0,0,1|1,0,0]=4 1906 B15R1.871 CC(=CCOCCc1ccc(cc1)F)C 34a_100000753907_100011217392 [2,0,0,0,0,1|1,0,0]=4 1907 B15R1.871 CC(=CCOCCc1ccc(cc1)F)C 34a_100000754732_100000761012 [2,0,0,0,0,1|1,0,0]=4 1908 B15R1.871 CC(=CCOCCc1ccc(cc1)F)C 7a_100000754732_100000761012 [2,0,0,0,0,1|1,0,0]=4 1909 B15R1.871 CC(=CCOCCc1ccc(cc1)I)C 34a_100012291149_100000761012 [2,0,0,0,0,1|1,0,0]=4 1910 B15R1.871 CC(=CCOCCc1ccc(cc1)I)C 7a_100012291149_100000761012 [2,0,0,0,0,1|1,0,0]=4 1911 B15R1.871 CC(=CCOCCc1ccc(cc1)N)C 34a_100011204434_100000761012 [2,0,0,0,0,1|1,0,0]=4 1912 B15R1.871 CC(=CCOCCc1ccc(nc1)C)C 34a_100011815783_100000761012 [2,0,0,0,0,1|1,0,0]=4 1913 B15R1.871 CC(=CCSCCc1ccc(cc1)Br)C 62a_100000761012_100011740612 [2,0,0,0,0,1|1,0,0]=4 1914 B15R1.871 CC(=CCSCCc1ccc(cc1)Br)C 62a_100011740612_100000761012 [2,0,0,0,0,1|1,0,0]=4 1915 B15R1.871 CC(=CCSCCc1ccc(cc1)C)C 62a_100000761012_100011713686 [2,0,0,0,0,1|0,0,0]=3 1916 B15R1.871 CC(=CCSCCc1ccc(cc1)C)C 62a_100011713686_100000761012 [2,0,0,0,0,1|0,0,0]=3 1917 B15R1.871 CC(=CCSCCc1ccc(cc1)Cl)C 62a_100000761012_100011713675 [2,0,0,0,0,1|1,0,0]=4 1918 B15R1.871 CC(=CCSCCc1ccc(cc1)Cl)C 62a_100011713675_100000761012 [2,0,0,0,0,1|1,0,0]=4 1919 B15R1.871 CC(=CCSCCc1ccc(cc1)F)C 62a_100000761012_100011217392 [2,0,0,0,0,1|1,0,0]=4 1920 B15R1.871 CC(=CCSCCc1ccc(cc1)F)C 62a_100011217392_100000761012 [2,0,0,0,0,1|1,0,0]=4 1921 B15R1.871 CC(=CCSCCc1ccc(cc1)O)C 62a_100000761012_100009816426 [2,0,0,0,0,1|1,0,0]=4 1922 B15R1.871 CC(=CCSCCc1ccc(cc1)O)C 62a_100009816426_100000761012 [2,0,0,0,0,1|1,0,0]=4 1923 B15R1.9084 CC(=CC(C)OCCc1ccccc1)C 34a_100000717055_100000765856 [2,0,0,0,0,1|1,0,0]=4 1924 B15R1.497 CC(=CCCNC(C)c1ccccn1)C 2230a_100000181244_100011217483 [2,0,0,0,0,1|1,0,0]=4 1925 B15R1.497 CC(=CCCNC(C)c1cccnc1)C 2230a_100000195435_100011217483 [2,0,0,0,0,1|1,0,0]=4 1926 B15R1.497 CC(=CCCNC(C)c1ccncc1)C 2230a_100000181269_100011217483 [2,0,0,0,0,1|1,0,0]=4 1927 B15R1.497 CC(=CCCN[C@H](C)c1ccccc1)C 2230a_100000751104_100011217483 [2,0,0,0,0,1|0,0,0]=3 1928 B15R1.497 CC(=CCCO[C@H](C)c1ccccc1)C 34a_100000761318_100011217483 [2,0,0,0,0,1|0,0,0]=3 1929 B15R1.497 CC(=CCCO[C@H](C)c1ccccc1)C 7a_100000761318_100011217483 [2,0,0,0,0,1|0,0,0]=3 1930 B15R1.497 CC(=CCCSC(C)c1ccccc1)C 62a_100000230085_100011217483 [2,0,0,0,0,1|0,0,0]=3 1931 B15R1.497 CC(=CCCSC(C)c1ccccc1)C 62a_100011217483_100000230085 [2,0,0,0,0,1|0,0,0]=3 1932 B15R1.497 CC(=CCNCC(C)c1ccccc1)C 2230a_100000701038_100000761012 [2,0,0,0,0,1|0,0,0]=3 1933 B15R1.497 CC(=CCNCC(C)c1ccccc1)C 270004a_100000718196_100000212034 [2,0,0,0,0,1|0,0,0]=3 1934 B15R1.497 CC(=CCNCC(C)c1ccccc1)C 34a_100000701038_100000761012 [2,0,0,0,0,1|0,0,0]=3 1935 B15R1.497 CC(=CCNCC(C)c1ccccc1)C 34a_100000718196_100000756946 [2,0,0,0,0,1|0,0,0]=3 1936 B15R1.497 CC(=CCNCC(O)c1ccccc1)C 2230a_100000210709_100000761012 [2,0,0,0,0,1|1,0,0]=4 1937 B15R1.497 CC(=CCNCC(O)c1ccccc1)C 34a_100000718196_100000185958 [2,0,0,0,0,1|1,0,0]=4 1938 B15R1.497 CC(=CCNC[C@@H](O)c1ccccc1)C 34a_100000718196_100011933945 [2,0,0,0,0,1|1,0,0]=4 1939 B15R1.497 CC(=CCOCC(C)c1ccccc1)C 34a_100000753907_100000756946 [2,0,0,0,0,1|0,0,0]=3 1940 B15R1.497 CC(=CCOCC(C)c1ccccc1)C 34a_100011215166_100000761012 [2,0,0,0,0,1|0,0,0]=3 1941 B15R1.497 CC(=CCOCC(C)c1ccccc1)C 7a_100011215166_100000761012 [2,0,0,0,0,1|0,0,0]=3 1942 B15R1.497 CC(=CCOCC(O)c1ccccc1)C 34a_100000753907_100000185958 [2,0,0,0,0,1|1,0,0]=4 1943 B15R1.497 CC(=CCOC[C@@H](N)c1ccccc1)C 34a_100000751927_100000761012 [2,0,0,0,0,1|1,0,0]=4 1944 B15R1.497 CC(=CCOC[C@@H](O)c1ccccc1)C 34a_100000753907_100011933945 [2,0,0,0,0,1|1,0,0]=4 1945 B15R1.497 CC(=CCSCC(C)c1ccccc1)C 62a_100000756946_100000761012 [2,0,0,0,0,1|0,0,0]=3 1946 B15R1.497 CC(=CCSCC(C)c1ccccc1)C 62a_100000761012_100000756946 [2,0,0,0,0,1|0,0,0]=3 1947 B15R1.497 CC(=CCSCC(O)c1ccccc1)C 62a_100000185958_100000761012 [2,0,0,0,0,1|1,0,0]=4 1948 B15R1.497 CC(=CCSCC(O)c1ccccc1)C 62a_100000761012_100000185958 [2,0,0,0,0,1|1,0,0]=4 1949 B15R1.497 CC(=CCSC[C@@H](O)c1ccccc1)C 62a_100000761012_100011933945 [2,0,0,0,0,1|1,0,0]=4 1950 B15R1.497 CC(=CCSC[C@@H](O)c1ccccc1)C 62a_100011933945_100000761012 [2,0,0,0,0,1|1,0,0]=4 1951 B15R1.1081 CC(=CCCN(C)Cc1ccccc1)C 2230a_100000186898_100011217483 [2,0,0,0,0,1|1,0,0]=4 1952 B15R1.1081 CC(=CCCN(C)Cc1ccccc1)C 269982a_100000186898_100011217483 [2,0,0,0,0,1|1,0,0]=4 1953 B15R1.1081 CC(=CCNC(C)Cc1ccccc1)C 34a_100000718196_200011218536 [2,0,0,0,0,1|1,0,0]=4 1954 B15R1.1081 CC(=CCOC(C)Cc1ccccc1)C 34a_100000748627_100000761012 [2,0,0,0,0,1|1,0,0]=4 1955 B15R1.1081 CC(=CCOC(C)Cc1ccccc1)C 34a_100000753907_200011218536 [2,0,0,0,0,1|1,0,0]=4 1956 B15R1.1081 CC(=CCOC(C)Cc1ccccc1)C 7a_100000748627_100000761012 [2,0,0,0,0,1|1,0,0]=4 1957 B15R1.1081 CC(=CCSC(C)Cc1ccccc1)C 62a_100000761012_200011218536 [2,0,0,0,0,1|1,0,0]=4 1958 B15R1.1081 CC(=CCSC(C)Cc1ccccc1)C 62a_200011218536_100000761012 [2,0,0,0,0,1|1,0,0]=4 1959 B17R1.1112 CC(=CC(C)OCCOc1ccc(cc1)C)C 34a_100000717055_100000183172 [1,0,0,0,0,2|1,0,0]=4 1960 B17R1.1059 CC(=CCCNCC(C)c1ccc(cc1)O)C 34a_200015188644_100011217483 [1,0,0,0,0,2|1,0,0]=4 1961 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)C)C 2230a_200020610344_100011217483 [1,0,0,0,0,2|1,0,0]=4 1962 B17R1.1059 CC(=CCCNCC(O)c1ccc(cc1)C)C 34a_200020610344_100011217483 [1,0,0,0,0,2|1,0,0]=4 1963 B17R1.1059 CC(=CCCOC[C@H](N)c1ccc(cc1)C)C 34a_100009818840_100011217483 [1,0,0,0,0,2|1,0,0]=4 1964 B17R1.1059 CC(=CCOCCC(N)c1ccc(cc1)C)C 34a_100011661551_100000761012 [1,0,0,0,0,2|1,0,0]=4 1965 B17R1.1120 CC(=CCCNC(C)Cc1ccc(cc1)O)C 2230a_100102634573_100011217483 [1,0,0,0,0,2|1,0,0]=4 1966 B17R1.1120 CC(=CCCNC(C)Cc1ccc(cc1)O)C 34a_100102634573_100011217483 [1,0,0,0,0,2|1,0,0]=4 1967 B17R1.1120 CC(=CCCOC(C)Cc1ccc(cc1)F)C 34a_100011351027_100011217483 [1,0,0,0,0,2|1,0,0]=4 1968 B17R1.1120 CC(=CCCOC(C)Cc1ccc(cc1)F)C 7a_100011351027_100011217483 [1,0,0,0,0,2|1,0,0]=4 1969 B17R1.1120 CC(=CCNCC(C)Oc1ccc(cc1)C)C 2230a_100000763606_100000761012 [1,0,0,0,0,2|0,0,0]=3 1970 B17R1.1120 CC(=CCNCC(C)Oc1ccc(cc1)C)C 34a_100000763606_100000761012 [1,0,0,0,0,2|0,0,0]=3 1971 B17R1.1120 CC(=CCNCC(C)Oc1ccc(cc1)F)C 2230a_200020586543_100000761012 [1,0,0,0,0,2|1,0,0]=4 1972 B17R1.1120 CC(=CCNCC(C)Oc1ccc(cc1)F)C 34a_100000718196_100010228477 [1,0,0,0,0,2|1,0,0]=4 1973 B17R1.1120 CC(=CCNCC(C)Oc1ccc(cc1)F)C 34a_200020586543_100000761012 [1,0,0,0,0,2|1,0,0]=4 1974 B17R1.1120 CC(=CCOCC(C)Oc1ccc(cc1)F)C 34a_100000753907_100010228477 [1,0,0,0,0,2|1,0,0]=4 1975 B17R1.1120 CC(=CCSCC(C)Oc1ccc(cc1)F)C 62a_100000761012_100010228477 [1,0,0,0,0,2|1,0,0]=4 1976 B17R1.1120 CC(=CCSCC(C)Oc1ccc(cc1)F)C 62a_100010228477_100000761012 [1,0,0,0,0,2|1,0,0]=4 1977 B19R1.42624 CC(=CCCC(C)CN[C@H](C)c1ccc(cc1)C)C 270004a_100016988085_100000033009 [0,0,0,0,0,3|1,0,0]=4